smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425986972 1013047550 /nfs/dbraw/zinc/04/75/50/1013047550.db2.gz XUIVESQGOPZDOR-QRQLOZEOSA-N 2 0 314.517 3.656 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC001168294918 1032065971 /nfs/dbraw/zinc/06/59/71/1032065971.db2.gz GVUBKTCBYUJAFF-SOAGJPPSSA-N 2 0 309.457 3.633 20 0 DHADRP CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccn1 ZINC001167967912 1013346986 /nfs/dbraw/zinc/34/69/86/1013346986.db2.gz LAAFIQTYRXNKMO-AQDPXUSMSA-N 2 0 313.489 3.774 20 0 DHADRP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CCCCCC1 ZINC001167968644 1013353681 /nfs/dbraw/zinc/35/36/81/1013353681.db2.gz UVAGNNSZQUQXCD-AYHJJNSGSA-N 2 0 303.494 3.929 20 0 DHADRP Fc1ccc([C@@H]2C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969475 1013373833 /nfs/dbraw/zinc/37/38/33/1013373833.db2.gz CMAQOQJCVZHFTN-HLKUOHOZSA-N 2 0 314.448 3.677 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324413232 1013391677 /nfs/dbraw/zinc/39/16/77/1013391677.db2.gz WJIFBDYIRLAOCQ-YLJYHZDGSA-N 2 0 324.468 3.812 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324413230 1013393129 /nfs/dbraw/zinc/39/31/29/1013393129.db2.gz WJIFBDYIRLAOCQ-PXNSSMCTSA-N 2 0 324.468 3.812 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262344778 1013532433 /nfs/dbraw/zinc/53/24/33/1013532433.db2.gz USYPCYFUTKHEGJ-JMGFVUJMSA-N 2 0 312.379 3.826 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CCN1CCSc1cc(Cl)ccc1Cl ZINC000124633002 1013543724 /nfs/dbraw/zinc/54/37/24/1013543724.db2.gz STYKITXNPYKWHA-CMPLNLGQSA-N 2 0 319.301 3.897 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655690155 1013646974 /nfs/dbraw/zinc/64/69/74/1013646974.db2.gz XMROXOJNKRBOST-CRAIPNDOSA-N 2 0 306.519 3.901 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C3CCN(C)CC3)s2)cc1C ZINC000655704492 1013651393 /nfs/dbraw/zinc/65/13/93/1013651393.db2.gz CYVLMAWGGSNAOM-UHFFFAOYSA-N 2 0 315.486 3.611 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000520206047 1013675802 /nfs/dbraw/zinc/67/58/02/1013675802.db2.gz RYUVYLJLJSEEGO-QZTJIDSGSA-N 2 0 318.505 3.931 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655757628 1013693446 /nfs/dbraw/zinc/69/34/46/1013693446.db2.gz VQCGOOSWDNOBRR-GGPKGHCWSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1OC(F)F ZINC000655805343 1013723091 /nfs/dbraw/zinc/72/30/91/1013723091.db2.gz GJMLOBWVJBOTJL-GUTXKFCHSA-N 2 0 312.404 3.669 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805665 1013728375 /nfs/dbraw/zinc/72/83/75/1013728375.db2.gz RCAMERDXUOKBNV-UPJWGTAASA-N 2 0 315.288 3.854 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655803960 1013728647 /nfs/dbraw/zinc/72/86/47/1013728647.db2.gz JXJAWFBOTSLZNX-XYJFISCASA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000655807974 1013731564 /nfs/dbraw/zinc/73/15/64/1013731564.db2.gz YTDRVOBASVUQMV-WZRBSPASSA-N 2 0 301.261 3.984 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000121490206 1013755883 /nfs/dbraw/zinc/75/58/83/1013755883.db2.gz DEANTUDYOMGXQJ-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCCCO1 ZINC000655849411 1013775720 /nfs/dbraw/zinc/77/57/20/1013775720.db2.gz OOCXBAUBZOBMDH-RNQOJCNYSA-N 2 0 322.537 3.967 20 0 DHADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001167994112 1013778113 /nfs/dbraw/zinc/77/81/13/1013778113.db2.gz FEGSAYCTXZJTPD-UHFFFAOYSA-N 2 0 319.343 3.887 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000340468052 1013834379 /nfs/dbraw/zinc/83/43/79/1013834379.db2.gz ISKNLLFVUYYPQR-QFBILLFUSA-N 2 0 316.489 3.871 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000340471043 1013837496 /nfs/dbraw/zinc/83/74/96/1013837496.db2.gz BAPSITLIGARUNU-JXFKEZNVSA-N 2 0 316.489 3.871 20 0 DHADRP Cc1cc(Cl)cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001210462635 1013867368 /nfs/dbraw/zinc/86/73/68/1013867368.db2.gz WQWPCVYWWSEISO-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189051006 1013905861 /nfs/dbraw/zinc/90/58/61/1013905861.db2.gz BGBQZUSDHVKOIJ-LLVKDONJSA-N 2 0 320.786 3.790 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000340538131 1013948599 /nfs/dbraw/zinc/94/85/99/1013948599.db2.gz TXMVMYWOMIAIFC-LPHOPBHVSA-N 2 0 316.489 3.727 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000580062033 1014010778 /nfs/dbraw/zinc/01/07/78/1014010778.db2.gz MMMFUIDPAIRNKP-ZDUSSCGKSA-N 2 0 312.860 3.732 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2cn1 ZINC000683831845 1014055890 /nfs/dbraw/zinc/05/58/90/1014055890.db2.gz JICCOQDAZHBMTP-TZIWHRDSSA-N 2 0 321.468 3.684 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000656200423 1014105661 /nfs/dbraw/zinc/10/56/61/1014105661.db2.gz PGOWCLMOPHHPOS-STQMWFEESA-N 2 0 323.278 3.688 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000565638646 1014105219 /nfs/dbraw/zinc/10/52/19/1014105219.db2.gz QAHMNPNQQKVBRF-AHRSYUTCSA-N 2 0 318.505 3.817 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc2sccc2c1 ZINC000564823700 1014109165 /nfs/dbraw/zinc/10/91/65/1014109165.db2.gz WYDVVABJDJPPGP-LBPRGKRZSA-N 2 0 311.454 3.914 20 0 DHADRP c1c2ccccc2[nH]c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000683927401 1014116664 /nfs/dbraw/zinc/11/66/64/1014116664.db2.gz VKLONHHICZXSQF-UHFFFAOYSA-N 2 0 311.473 3.912 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)CCCO2 ZINC000361755415 1032086059 /nfs/dbraw/zinc/08/60/59/1032086059.db2.gz QLKMJRMQSSAJGD-XYJFISCASA-N 2 0 302.462 3.589 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000520648503 1014399201 /nfs/dbraw/zinc/39/92/01/1014399201.db2.gz BVZHCVOLLMHGGP-QZTJIDSGSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H](C1CC(F)(F)C1)N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112774 1014445176 /nfs/dbraw/zinc/44/51/76/1014445176.db2.gz DULZDQQPSCIQOO-QEJZJMRPSA-N 2 0 309.404 3.592 20 0 DHADRP COC1(C[C@@H](C)N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CCC1 ZINC000895112779 1014445355 /nfs/dbraw/zinc/44/53/55/1014445355.db2.gz RXPMNQZXWLBOGG-BRWVUGGUSA-N 2 0 317.477 3.506 20 0 DHADRP Cc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc(C)c1F ZINC001143385691 1014467270 /nfs/dbraw/zinc/46/72/70/1014467270.db2.gz YJEOZYIJDIDXON-UHFFFAOYSA-N 2 0 304.453 3.750 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237618 1014509695 /nfs/dbraw/zinc/50/96/95/1014509695.db2.gz FPJMGVJKKUPXDU-WMLDXEAASA-N 2 0 300.471 3.893 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427839496 1014535501 /nfs/dbraw/zinc/53/55/01/1014535501.db2.gz DYTYBTYMGGZPMO-JTDSTZFVSA-N 2 0 306.469 3.857 20 0 DHADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000261725367 1014536017 /nfs/dbraw/zinc/53/60/17/1014536017.db2.gz MJLKNRZKONSDHQ-VKJFTORMSA-N 2 0 317.477 3.606 20 0 DHADRP C[C@@H]1CC([NH2+]C[C@H]2CCCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168010935 1014566694 /nfs/dbraw/zinc/56/66/94/1014566694.db2.gz LLJGBMDGCRBOAJ-MBOZVWFJSA-N 2 0 316.489 3.587 20 0 DHADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665261454 1014597190 /nfs/dbraw/zinc/59/71/90/1014597190.db2.gz CSHLVFXQBCSDFQ-SVFBPWRDSA-N 2 0 320.436 3.519 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000665280693 1014672645 /nfs/dbraw/zinc/67/26/45/1014672645.db2.gz JCKFZQQPVDWDTE-SMDDNHRTSA-N 2 0 304.356 3.609 20 0 DHADRP C[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000581310238 1014693984 /nfs/dbraw/zinc/69/39/84/1014693984.db2.gz QOGBEKDSWOFUEV-UHFFFAOYSA-N 2 0 315.288 4.000 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCS2 ZINC000276125061 1014698803 /nfs/dbraw/zinc/69/88/03/1014698803.db2.gz KPKYVRUJSKPFLE-MRXNPFEDSA-N 2 0 320.502 3.554 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000442644658 1014711085 /nfs/dbraw/zinc/71/10/85/1014711085.db2.gz HNXMYHVFQWBJFL-IBGZPJMESA-N 2 0 322.468 3.757 20 0 DHADRP Brc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000223017467 1014738796 /nfs/dbraw/zinc/73/87/96/1014738796.db2.gz MDEJPYQEEYRCOI-INIZCTEOSA-N 2 0 323.278 3.512 20 0 DHADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCc5ccccc54)C[C@@H]3C2)cc1 ZINC000684212759 1014752130 /nfs/dbraw/zinc/75/21/30/1014752130.db2.gz YTFWBMMUNQDWIP-VWPQPMDRSA-N 2 0 318.464 3.738 20 0 DHADRP CCCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000442880302 1014759383 /nfs/dbraw/zinc/75/93/83/1014759383.db2.gz YESXMOTVNDULOT-LJQANCHMSA-N 2 0 317.521 3.534 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000442925121 1014775467 /nfs/dbraw/zinc/77/54/67/1014775467.db2.gz UJFYNQUWAJTEBU-MRXNPFEDSA-N 2 0 302.462 3.569 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccsc1 ZINC000443101370 1014811668 /nfs/dbraw/zinc/81/16/68/1014811668.db2.gz COEJUFODBBVSLJ-BZSNNMDCSA-N 2 0 322.518 3.557 20 0 DHADRP C[C@@H](c1ccncc1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000656533622 1014816605 /nfs/dbraw/zinc/81/66/05/1014816605.db2.gz KKGRLFMITCRMGA-INIZCTEOSA-N 2 0 318.424 3.513 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccsc1 ZINC000443101374 1014810391 /nfs/dbraw/zinc/81/03/91/1014810391.db2.gz COEJUFODBBVSLJ-OKZBNKHCSA-N 2 0 322.518 3.557 20 0 DHADRP c1cc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2s1 ZINC000521944490 1014846297 /nfs/dbraw/zinc/84/62/97/1014846297.db2.gz BBGKLQZMFLPVMY-UHFFFAOYSA-N 2 0 300.471 3.865 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000474063193 1014940134 /nfs/dbraw/zinc/94/01/34/1014940134.db2.gz GOYOGLMWDSHFRX-DOXZYTNZSA-N 2 0 314.473 3.634 20 0 DHADRP Cc1csc([C@H](C)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000349671502 1014991244 /nfs/dbraw/zinc/99/12/44/1014991244.db2.gz WRSUFRDCWBMSPK-CQSZACIVSA-N 2 0 321.534 3.942 20 0 DHADRP Cc1ccc(N(C)c2ccc(CN3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204771539 1015039021 /nfs/dbraw/zinc/03/90/21/1015039021.db2.gz PXROECSTIYHXKC-HXUWFJFHSA-N 2 0 309.457 3.686 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)[C@@H](C)C1 ZINC000443656975 1015083844 /nfs/dbraw/zinc/08/38/44/1015083844.db2.gz MEAOCXBGYYBWCK-WCIQWLHISA-N 2 0 322.537 3.705 20 0 DHADRP CCCc1cc(N2CCC(C[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000443672489 1015098433 /nfs/dbraw/zinc/09/84/33/1015098433.db2.gz GBPCDMMEIANICG-UHFFFAOYSA-N 2 0 311.473 3.965 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)CO1 ZINC000647170572 1015145970 /nfs/dbraw/zinc/14/59/70/1015145970.db2.gz GCHSWJITWLFBSR-JXFKEZNVSA-N 2 0 324.468 3.682 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656783099 1015147989 /nfs/dbraw/zinc/14/79/89/1015147989.db2.gz NYOWNOQJKSHAII-QGZVFWFLSA-N 2 0 308.416 3.836 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000684367087 1015156316 /nfs/dbraw/zinc/15/63/16/1015156316.db2.gz HKDRVTCICXVXPQ-VQTJNVASSA-N 2 0 316.489 3.720 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc2cccnc12 ZINC000656784031 1015156492 /nfs/dbraw/zinc/15/64/92/1015156492.db2.gz XXCDJDVXXBICGQ-FQEVSTJZSA-N 2 0 323.484 3.755 20 0 DHADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785113 1015159541 /nfs/dbraw/zinc/15/95/41/1015159541.db2.gz ITKUOSIKDFZIJR-OAHLLOKOSA-N 2 0 321.534 3.652 20 0 DHADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785967 1015162817 /nfs/dbraw/zinc/16/28/17/1015162817.db2.gz OMDBHRJNORSYQA-MRXNPFEDSA-N 2 0 321.534 3.553 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788992 1015163139 /nfs/dbraw/zinc/16/31/39/1015163139.db2.gz HRXVJYUREQFPIZ-OALUTQOASA-N 2 0 316.489 3.971 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1sccc1Br ZINC000045664163 1032112496 /nfs/dbraw/zinc/11/24/96/1032112496.db2.gz OFDQLLJVMZJREV-JTQLQIEISA-N 2 0 305.285 3.503 20 0 DHADRP C[C@H](CC1CCC1)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000684411570 1015291128 /nfs/dbraw/zinc/29/11/28/1015291128.db2.gz YXOCPOVGVFPFGS-UWTIGNOOSA-N 2 0 318.427 3.960 20 0 DHADRP CSC1(C[NH2+][C@@H](C)CCc2ccc(C)cc2)CC[NH+](C)CC1 ZINC000581756030 1015303792 /nfs/dbraw/zinc/30/37/92/1015303792.db2.gz QFMOPPCXWNXPFK-KRWDZBQOSA-N 2 0 320.546 3.733 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000474469034 1015376853 /nfs/dbraw/zinc/37/68/53/1015376853.db2.gz GGNVLVNZYBQMHK-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723694071 1015378023 /nfs/dbraw/zinc/37/80/23/1015378023.db2.gz CMRVQTHBNYYUTC-SWLSCSKDSA-N 2 0 311.267 3.571 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474462528 1015379403 /nfs/dbraw/zinc/37/94/03/1015379403.db2.gz SURBRTIZZGSHSH-ILXRZTDVSA-N 2 0 306.881 3.906 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]CC2CC[NH2+]CC2)cc1OCC ZINC000569349509 1015410105 /nfs/dbraw/zinc/41/01/05/1015410105.db2.gz FRPKXNPSBUFGIX-KRWDZBQOSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011088 1015442974 /nfs/dbraw/zinc/44/29/74/1015442974.db2.gz QGKFKTAXJRFFDM-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP CC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000399068450 1015464701 /nfs/dbraw/zinc/46/47/01/1015464701.db2.gz NCUBITKSGKGTLN-CQDKDKBSSA-N 2 0 311.267 3.630 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628134048 1015508274 /nfs/dbraw/zinc/50/82/74/1015508274.db2.gz CGUUEVSKJNBDKW-UHFFFAOYSA-N 2 0 314.395 3.522 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000130538951 1015589008 /nfs/dbraw/zinc/58/90/08/1015589008.db2.gz GDKOJBDYGQWVEA-SWLSCSKDSA-N 2 0 310.532 3.995 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000179199207 1015649965 /nfs/dbraw/zinc/64/99/65/1015649965.db2.gz VTBAYKFSWUOUDM-UHFFFAOYSA-N 2 0 318.505 3.777 20 0 DHADRP Cc1nccn1CCCN(Cc1c(F)cccc1F)C1CC1 ZINC000276848881 1015713948 /nfs/dbraw/zinc/71/39/48/1015713948.db2.gz UDTBFFSRILNWRG-UHFFFAOYSA-N 2 0 305.372 3.524 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000535811486 1015832055 /nfs/dbraw/zinc/83/20/55/1015832055.db2.gz STTNTIGVSDULKQ-UHFFFAOYSA-N 2 0 321.534 3.963 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281141577 1015840923 /nfs/dbraw/zinc/84/09/23/1015840923.db2.gz FXMXWTMKBAHSCO-KXBFYZLASA-N 2 0 319.468 3.916 20 0 DHADRP Cc1ccc(-c2cc(CN3CCC[C@@H]([NH+](C)C)CC3)on2)cc1 ZINC000277136032 1015904730 /nfs/dbraw/zinc/90/47/30/1015904730.db2.gz ITEPFPQWJIQJKV-QGZVFWFLSA-N 2 0 313.445 3.566 20 0 DHADRP CC[C@H](CSC)[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000361860319 1032132223 /nfs/dbraw/zinc/13/22/23/1032132223.db2.gz LKQLXWGMGSREHF-MRXNPFEDSA-N 2 0 303.475 3.754 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000151118695 1016021207 /nfs/dbraw/zinc/02/12/07/1016021207.db2.gz RJVBXGMDBRMYIT-FUHWJXTLSA-N 2 0 302.462 3.530 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1Br ZINC000342243869 1016180547 /nfs/dbraw/zinc/18/05/47/1016180547.db2.gz OUUFZZASAPJXES-OAHLLOKOSA-N 2 0 313.283 3.832 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1CNCc1ncc(Cl)s1 ZINC000349666070 1016198463 /nfs/dbraw/zinc/19/84/63/1016198463.db2.gz JXHLEIDCRKSOOP-UHFFFAOYSA-N 2 0 323.893 3.927 20 0 DHADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657297223 1016219544 /nfs/dbraw/zinc/21/95/44/1016219544.db2.gz NLWKYBXAWBAJJZ-GVDBMIGSSA-N 2 0 310.445 3.716 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)cn1 ZINC000152120797 1016350529 /nfs/dbraw/zinc/35/05/29/1016350529.db2.gz HXHIYUOLIGYTAX-INIZCTEOSA-N 2 0 323.444 3.560 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000387256092 1016403138 /nfs/dbraw/zinc/40/31/38/1016403138.db2.gz MSCWPQSDOMAAIT-ZWKOTPCHSA-N 2 0 308.510 3.722 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCCO1 ZINC000346505243 1016411836 /nfs/dbraw/zinc/41/18/36/1016411836.db2.gz XLALLLFPBNWYDY-FUHIMQAGSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CCCO1 ZINC000346571778 1016446170 /nfs/dbraw/zinc/44/61/70/1016446170.db2.gz WVGQLGUDTSUEGR-XLIONFOSSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCCO1 ZINC000346571780 1016447663 /nfs/dbraw/zinc/44/76/63/1016447663.db2.gz WVGQLGUDTSUEGR-YLJYHZDGSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346676834 1016506026 /nfs/dbraw/zinc/50/60/26/1016506026.db2.gz KSTJGBZZCOODKF-OCCSQVGLSA-N 2 0 304.434 3.723 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657376228 1016536681 /nfs/dbraw/zinc/53/66/81/1016536681.db2.gz ISXANRJBAFYJQO-UHFFFAOYSA-N 2 0 320.452 3.579 20 0 DHADRP CN(Cc1ccccc1C(F)(F)F)CC(C)(C)C[NH+](C)C ZINC001207285803 1016595533 /nfs/dbraw/zinc/59/55/33/1016595533.db2.gz OQBHCRYCEFIBRP-UHFFFAOYSA-N 2 0 302.384 3.725 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000281582350 1016607071 /nfs/dbraw/zinc/60/70/71/1016607071.db2.gz LEZDZEOUZNXARX-QZTJIDSGSA-N 2 0 315.505 3.738 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000044535300 1016615807 /nfs/dbraw/zinc/61/58/07/1016615807.db2.gz NSWSLSCKIBXSQZ-ZDUSSCGKSA-N 2 0 318.408 3.730 20 0 DHADRP COc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(C)c1 ZINC000629731529 1016621371 /nfs/dbraw/zinc/62/13/71/1016621371.db2.gz BVMYZHFBGGQNTG-UHFFFAOYSA-N 2 0 310.441 3.594 20 0 DHADRP FC1(F)CC2(C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207287695 1016627900 /nfs/dbraw/zinc/62/79/00/1016627900.db2.gz WVMTXPMPKRAYKB-UHFFFAOYSA-N 2 0 320.427 3.630 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657413875 1016684823 /nfs/dbraw/zinc/68/48/23/1016684823.db2.gz GWPLEOMXVSAWLN-UHFFFAOYSA-N 2 0 320.452 3.577 20 0 DHADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[C@H]1CCCCO1 ZINC000680637636 1016706996 /nfs/dbraw/zinc/70/69/96/1016706996.db2.gz PLESSTOWLCDLMZ-LJQANCHMSA-N 2 0 308.510 3.722 20 0 DHADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc(-c2ccncc2)c1 ZINC000347096108 1016730117 /nfs/dbraw/zinc/73/01/17/1016730117.db2.gz IXZIYPTZPHLVER-NRFANRHFSA-N 2 0 321.468 3.713 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CC[C@@H]1[NH3+] ZINC000347104028 1016743791 /nfs/dbraw/zinc/74/37/91/1016743791.db2.gz KVXGHHOBSCGAEO-WBMJQRKESA-N 2 0 304.434 3.723 20 0 DHADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000347214893 1016793395 /nfs/dbraw/zinc/79/33/95/1016793395.db2.gz QQUHLTLAISEPMD-LBPRGKRZSA-N 2 0 306.862 3.849 20 0 DHADRP CC[C@@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[NH+](CC)CC ZINC000347232443 1016797581 /nfs/dbraw/zinc/79/75/81/1016797581.db2.gz MQXAOQDAPACYOR-SFHVURJKSA-N 2 0 319.493 3.587 20 0 DHADRP C[NH+](C)CC1(C[NH2+]Cc2cc3ccncc3s2)CCCC1 ZINC000657437562 1016800108 /nfs/dbraw/zinc/80/01/08/1016800108.db2.gz YRDNNLMBLRIJCC-UHFFFAOYSA-N 2 0 303.475 3.508 20 0 DHADRP c1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC000657447936 1016858146 /nfs/dbraw/zinc/85/81/46/1016858146.db2.gz UJRRKIMYWZGKEM-UHFFFAOYSA-N 2 0 318.424 3.825 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000671294817 1016867458 /nfs/dbraw/zinc/86/74/58/1016867458.db2.gz LHYASHJUUGTSIH-UZLBHIALSA-N 2 0 300.490 3.638 20 0 DHADRP Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657456152 1016898481 /nfs/dbraw/zinc/89/84/81/1016898481.db2.gz PIRDLVFDTUTZES-QAQDUYKDSA-N 2 0 318.424 3.612 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000475072605 1016933878 /nfs/dbraw/zinc/93/38/78/1016933878.db2.gz YGGMWJRMXXPCBE-HBFSDRIKSA-N 2 0 322.537 3.514 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCCSc2ccc(F)cc2)CC1(C)C ZINC000623338352 1016968080 /nfs/dbraw/zinc/96/80/80/1016968080.db2.gz WFBJSBAOUUWRHF-OAHLLOKOSA-N 2 0 310.482 3.770 20 0 DHADRP C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000623347194 1016974513 /nfs/dbraw/zinc/97/45/13/1016974513.db2.gz RIIWSJOUVQGRDR-CHWSQXEVSA-N 2 0 312.404 3.811 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000475123279 1016985113 /nfs/dbraw/zinc/98/51/13/1016985113.db2.gz VODYRZRWGFNZEK-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)CC1(C)C ZINC000623412463 1017036936 /nfs/dbraw/zinc/03/69/36/1017036936.db2.gz LTDHXINCHKTVHC-HNNXBMFYSA-N 2 0 304.503 3.774 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474092 1017061501 /nfs/dbraw/zinc/06/15/01/1017061501.db2.gz QYSQTLFIZDQGGO-INIZCTEOSA-N 2 0 324.896 3.744 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000361927121 1032157659 /nfs/dbraw/zinc/15/76/59/1032157659.db2.gz RSIXYTVXOTWHIS-DLBZAZTESA-N 2 0 312.885 3.738 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001246782203 1032201461 /nfs/dbraw/zinc/20/14/61/1032201461.db2.gz PZKZDAJHMDHLSM-VXGBXAGGSA-N 2 0 301.261 3.595 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000344305735 1032219665 /nfs/dbraw/zinc/21/96/65/1032219665.db2.gz VUYUNFQSGFSEBN-HNNXBMFYSA-N 2 0 308.878 3.728 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000118956408 1032257497 /nfs/dbraw/zinc/25/74/97/1032257497.db2.gz DJOZEVIJLPFHOR-YOEHRIQHSA-N 2 0 308.897 3.981 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)CC1(C)C ZINC000623477920 1017070705 /nfs/dbraw/zinc/07/07/05/1017070705.db2.gz WKDXSCQEDHQLKY-CQSZACIVSA-N 2 0 306.881 3.834 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001168324182 1032268210 /nfs/dbraw/zinc/26/82/10/1032268210.db2.gz JBWOHMSLKCUNTB-ABHNRTSZSA-N 2 0 322.493 3.788 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001168322914 1032268693 /nfs/dbraw/zinc/26/86/93/1032268693.db2.gz IVAGLSWQBNLPQR-UHFFFAOYSA-N 2 0 320.521 3.530 20 0 DHADRP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000362203306 1032270008 /nfs/dbraw/zinc/27/00/08/1032270008.db2.gz VCDYMXLSYAQAOH-SCTDSRPQSA-N 2 0 302.462 3.753 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001168328789 1032300329 /nfs/dbraw/zinc/30/03/29/1032300329.db2.gz KJMFKKLRQRIHDJ-HTWSVDAQSA-N 2 0 322.493 3.865 20 0 DHADRP COc1cccc([C@H]2CCC[N@@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168328925 1032304034 /nfs/dbraw/zinc/30/40/34/1032304034.db2.gz MIYPUSAXBRGWBF-VIQWUECVSA-N 2 0 316.489 3.747 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001247008431 1032359711 /nfs/dbraw/zinc/35/97/11/1032359711.db2.gz AZBOCLGSSDLGQZ-SWLSCSKDSA-N 2 0 323.278 3.584 20 0 DHADRP C[N@@H+]1CCC[C@@H](CN[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000121221272 1032428185 /nfs/dbraw/zinc/42/81/85/1032428185.db2.gz WZKKEBXUPZBDPG-JXFKEZNVSA-N 2 0 312.432 3.847 20 0 DHADRP Cc1ccc(C[NH+]2CCCCC2)cc1NC[C@H]1CCCC[NH2+]1 ZINC001171338244 1032444062 /nfs/dbraw/zinc/44/40/62/1032444062.db2.gz CQIXUXBLPLJGRX-GOSISDBHSA-N 2 0 301.478 3.535 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC1(C)C ZINC000623515022 1017084501 /nfs/dbraw/zinc/08/45/01/1017084501.db2.gz LLVFOUUUAUMVAI-INIZCTEOSA-N 2 0 317.452 3.702 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1OC ZINC000623525606 1017089304 /nfs/dbraw/zinc/08/93/04/1017089304.db2.gz UCVKJJRVNKYELV-LSDHHAIUSA-N 2 0 320.477 3.536 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000623521192 1017088172 /nfs/dbraw/zinc/08/81/72/1017088172.db2.gz NJIMSFFTZVAURS-CVEARBPZSA-N 2 0 320.477 3.617 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000121719210 1032467789 /nfs/dbraw/zinc/46/77/89/1032467789.db2.gz BLRBRDLKCHSJQY-GFCCVEGCSA-N 2 0 314.395 3.877 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000075007727 1017287638 /nfs/dbraw/zinc/28/76/38/1017287638.db2.gz MMHYDWXYCLLTQR-MRXNPFEDSA-N 2 0 322.468 3.710 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](CC)CC2)cc1 ZINC000121818830 1032481011 /nfs/dbraw/zinc/48/10/11/1032481011.db2.gz ZSVBYKVIHLRNGJ-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP COC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000623538548 1017098872 /nfs/dbraw/zinc/09/88/72/1017098872.db2.gz JEKXQAZMHFPVJI-NVXWUHKLSA-N 2 0 324.896 3.532 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171353868 1032514295 /nfs/dbraw/zinc/51/42/95/1032514295.db2.gz IURYNWFJYHULAZ-KRWDZBQOSA-N 2 0 322.443 3.534 20 0 DHADRP Cc1ncccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093006863 1032518205 /nfs/dbraw/zinc/51/82/05/1032518205.db2.gz LQDNLMBAZLJOGC-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925145547 1017313943 /nfs/dbraw/zinc/31/39/43/1017313943.db2.gz SENQBPGNEXVTJA-FZDIXFNVSA-N 2 0 316.489 3.602 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000643497146 1032585260 /nfs/dbraw/zinc/58/52/60/1032585260.db2.gz GDVUSIDXIBMJPA-FUHWJXTLSA-N 2 0 306.881 3.640 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C[C@H]2C1 ZINC000424256929 1011952305 /nfs/dbraw/zinc/95/23/05/1011952305.db2.gz ATRIVSMMHMZHDC-YUNYCSSDSA-N 2 0 322.537 3.538 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424263681 1011952377 /nfs/dbraw/zinc/95/23/77/1011952377.db2.gz SBWGFIMXTQUZMV-QGZVFWFLSA-N 2 0 317.502 3.747 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424260932 1011952866 /nfs/dbraw/zinc/95/28/66/1011952866.db2.gz OJTTWAWGIKGVAX-MRXNPFEDSA-N 2 0 317.502 3.604 20 0 DHADRP CCC(CC)[C@@H](C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)[NH+]1CCCC1 ZINC000424269673 1011957049 /nfs/dbraw/zinc/95/70/49/1011957049.db2.gz PNEXKZFOCHKGKO-JAZQRGJZSA-N 2 0 322.537 3.680 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424289008 1011959730 /nfs/dbraw/zinc/95/97/30/1011959730.db2.gz LFINCLQXYMUDNO-CYBMUJFWSA-N 2 0 312.379 3.669 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)C[C@H]2C1 ZINC000424272494 1011966025 /nfs/dbraw/zinc/96/60/25/1011966025.db2.gz UKXGFIHLHUHZLG-KPFGOTRDSA-N 2 0 322.537 3.536 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)C[C@H]2C1 ZINC000424272492 1011967429 /nfs/dbraw/zinc/96/74/29/1011967429.db2.gz UKXGFIHLHUHZLG-BAMLVTLESA-N 2 0 322.537 3.536 20 0 DHADRP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000424280737 1011968739 /nfs/dbraw/zinc/96/87/39/1011968739.db2.gz HQLUQGUGOKQPSJ-SWLSCSKDSA-N 2 0 321.465 3.634 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(Cl)c1 ZINC000424276214 1011969337 /nfs/dbraw/zinc/96/93/37/1011969337.db2.gz DIPZFJXQZKROHJ-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000347209847 1017104112 /nfs/dbraw/zinc/10/41/12/1017104112.db2.gz NXHMOFSDCHPLGK-XLIONFOSSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1CCCCCOc1ccccc1)CC[NH2+]CC2 ZINC000424380572 1012012530 /nfs/dbraw/zinc/01/25/30/1012012530.db2.gz QAUGPGNDUKPZJM-GOSISDBHSA-N 2 0 316.489 3.700 20 0 DHADRP CCC[NH+]1CCC(Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000684962917 1017106066 /nfs/dbraw/zinc/10/60/66/1017106066.db2.gz FXCIZMGRTUPMFA-UHFFFAOYSA-N 2 0 309.885 3.688 20 0 DHADRP Fc1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)s2)cc1 ZINC000666952303 1032600881 /nfs/dbraw/zinc/60/08/81/1032600881.db2.gz PTQYIDVPSJFTIE-QGZVFWFLSA-N 2 0 316.445 3.786 20 0 DHADRP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OC)cc1 ZINC000643546954 1012098331 /nfs/dbraw/zinc/09/83/31/1012098331.db2.gz XKARZRMPXBLDEN-FUHWJXTLSA-N 2 0 302.462 3.801 20 0 DHADRP Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952398 1032600093 /nfs/dbraw/zinc/60/00/93/1032600093.db2.gz VCEBZVFVBKSBKP-HXUWFJFHSA-N 2 0 306.453 3.894 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000122396427 1032604813 /nfs/dbraw/zinc/60/48/13/1032604813.db2.gz KZLLEKXYZGIVOK-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000124147710 1012174019 /nfs/dbraw/zinc/17/40/19/1012174019.db2.gz CZQTVWFKARFKGG-UHFFFAOYSA-N 2 0 310.482 3.582 20 0 DHADRP C1=C2CCCN([C@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001167954424 1012178962 /nfs/dbraw/zinc/17/89/62/1012178962.db2.gz DJQZIBPQNFOONT-ORBUVVROSA-N 2 0 312.501 3.680 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715174892 1032615061 /nfs/dbraw/zinc/61/50/61/1032615061.db2.gz ZBTFDDMAHGCPNV-QHGAOEGBSA-N 2 0 318.505 3.834 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCc2c(F)cccc2C1)CC(C)(C)CC[NH3+] ZINC001171411956 1032616107 /nfs/dbraw/zinc/61/61/07/1032616107.db2.gz PUBGADUTXKRJAO-ZBFHGGJFSA-N 2 0 306.469 3.674 20 0 DHADRP Cc1c(CN2C[C@@H](C[NH3+])CC[C@@H]2C)cccc1C(F)(F)F ZINC001206770968 1012353045 /nfs/dbraw/zinc/35/30/45/1012353045.db2.gz VHRHDSKVGRXARG-WCQYABFASA-N 2 0 300.368 3.573 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCO1 ZINC000648483922 1012413446 /nfs/dbraw/zinc/41/34/46/1012413446.db2.gz OGXSYLQDTFAEAT-CHPDAQJUSA-N 2 0 308.510 3.577 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000666956290 1032627889 /nfs/dbraw/zinc/62/78/89/1032627889.db2.gz GUVBITSJZQTFIN-HDJSIYSDSA-N 2 0 317.864 3.743 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)cc(C)n2)CC1 ZINC001167077763 1012530599 /nfs/dbraw/zinc/53/05/99/1012530599.db2.gz NJGBRIXAZNVAPQ-UHFFFAOYSA-N 2 0 303.494 3.642 20 0 DHADRP c1ccc(OCCCCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000515176157 1012572824 /nfs/dbraw/zinc/57/28/24/1012572824.db2.gz AGTRPEFSETWNAG-IBGZPJMESA-N 2 0 316.489 3.557 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000515251210 1012586397 /nfs/dbraw/zinc/58/63/97/1012586397.db2.gz CVYQFWLIXGYLHC-IEBWSBKVSA-N 2 0 310.526 3.636 20 0 DHADRP [NH3+]Cc1ccc2c(ccn2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167959828 1012611908 /nfs/dbraw/zinc/61/19/08/1012611908.db2.gz SOYVWOFDTDTNFO-DFNIBXOVSA-N 2 0 309.457 3.678 20 0 DHADRP CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(C(F)(F)F)c1 ZINC000179405314 1012671397 /nfs/dbraw/zinc/67/13/97/1012671397.db2.gz HUCWAPPRRAWLNJ-HNNXBMFYSA-N 2 0 300.368 3.622 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(F)c1 ZINC000123598996 1032651336 /nfs/dbraw/zinc/65/13/36/1032651336.db2.gz ZYXKPWAQHSOYPG-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP Cc1cc2cc(CNC[C@@H]3CC[N@@H+](C(C)C)C3)oc2cc1C ZINC000516815257 1012835491 /nfs/dbraw/zinc/83/54/91/1012835491.db2.gz LJUIZRCKKXJCHX-INIZCTEOSA-N 2 0 300.446 3.870 20 0 DHADRP Cc1[nH]c(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)cc2nccc1-2 ZINC001167089979 1012844394 /nfs/dbraw/zinc/84/43/94/1012844394.db2.gz ZWPHGRVNIRORKW-UHFFFAOYSA-N 2 0 320.371 3.600 20 0 DHADRP C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1cnn(C2CCCC2)c1 ZINC000516964539 1012881189 /nfs/dbraw/zinc/88/11/89/1012881189.db2.gz PFVPRENAZUCLNU-RDTXWAMCSA-N 2 0 304.482 3.556 20 0 DHADRP CCOC(C)(C)C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001209074427 1012969449 /nfs/dbraw/zinc/96/94/49/1012969449.db2.gz BJCGPIKZRPZGLS-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000517371896 1012973712 /nfs/dbraw/zinc/97/37/12/1012973712.db2.gz KFIFZIDWNIAIAH-LBPRGKRZSA-N 2 0 308.878 3.971 20 0 DHADRP COCC[C@@H](c1ccccc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000339869035 1012981195 /nfs/dbraw/zinc/98/11/95/1012981195.db2.gz YGYRJRZTDHOOMO-MOPGFXCFSA-N 2 0 304.478 3.570 20 0 DHADRP CCCC[C@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](C[C@H](C)CO)CC2 ZINC001280200527 1013018334 /nfs/dbraw/zinc/01/83/34/1013018334.db2.gz LGRRTMDGZWJNJL-OALUTQOASA-N 2 0 324.553 3.619 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684953109 1017078990 /nfs/dbraw/zinc/07/89/90/1017078990.db2.gz IIEOJEHDFCMAME-WMZOPIPTSA-N 2 0 301.478 3.561 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623654803 1017156481 /nfs/dbraw/zinc/15/64/81/1017156481.db2.gz JLQIHYZNQUXVRP-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623679476 1017168198 /nfs/dbraw/zinc/16/81/98/1017168198.db2.gz ZETXPJSYFWEDGC-KZNAEPCWSA-N 2 0 310.526 3.823 20 0 DHADRP CC1(C)CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657537393 1017226001 /nfs/dbraw/zinc/22/60/01/1017226001.db2.gz JREMDLNLYFVSJQ-SFHVURJKSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]1CCC[C@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537251 1017226075 /nfs/dbraw/zinc/22/60/75/1017226075.db2.gz FFSXPNAJOQWTQB-MJGOQNOKSA-N 2 0 322.537 3.683 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000716295997 1032690871 /nfs/dbraw/zinc/69/08/71/1032690871.db2.gz UGRFTWSUQFQPHB-AAEUAGOBSA-N 2 0 301.261 3.608 20 0 DHADRP FC1(F)CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716619397 1032699292 /nfs/dbraw/zinc/69/92/92/1032699292.db2.gz CVLPWZCHOXSVIQ-MHORFTMASA-N 2 0 320.427 3.817 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cccnc1 ZINC000716655095 1032699786 /nfs/dbraw/zinc/69/97/86/1032699786.db2.gz LVQUPMVZBGDRGD-YRLHULLVSA-N 2 0 321.468 3.785 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000925152346 1017448087 /nfs/dbraw/zinc/44/80/87/1017448087.db2.gz RZXVHGQBMPDPRO-ICSRJNTNSA-N 2 0 315.505 3.504 20 0 DHADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000180470592 1017451432 /nfs/dbraw/zinc/45/14/32/1017451432.db2.gz YELHUESBWIOLEO-QZTJIDSGSA-N 2 0 316.489 3.607 20 0 DHADRP Cc1cc2[nH]c(CNC3CC([NH+]4CCCCC4)C3)cc2c(C)c1 ZINC000475575200 1017456389 /nfs/dbraw/zinc/45/63/89/1017456389.db2.gz QMAKBOKAMIYESF-UHFFFAOYSA-N 2 0 311.473 3.891 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716682806 1032701728 /nfs/dbraw/zinc/70/17/28/1032701728.db2.gz POLANNXOHSRLHQ-KSZLIROESA-N 2 0 316.514 3.525 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171449334 1032703459 /nfs/dbraw/zinc/70/34/59/1032703459.db2.gz PVYDIPZNYMQVKI-MRXNPFEDSA-N 2 0 310.432 3.534 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CC(F)F ZINC000716727106 1032704561 /nfs/dbraw/zinc/70/45/61/1032704561.db2.gz IDLCXPVKRNFXTC-DKIMLUQUSA-N 2 0 322.443 3.920 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623855012 1017546368 /nfs/dbraw/zinc/54/63/68/1017546368.db2.gz OQRGVFSDTXMSOL-APWZRJJASA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1CC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)C1 ZINC000657613517 1017569357 /nfs/dbraw/zinc/56/93/57/1017569357.db2.gz MHTUPSRGKDSOSQ-IRXDYDNUSA-N 2 0 315.505 3.708 20 0 DHADRP Cc1ccc(C)n1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444577996 1017573320 /nfs/dbraw/zinc/57/33/20/1017573320.db2.gz ZQMJDBRXDOGCLU-UHFFFAOYSA-N 2 0 303.494 3.618 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC[NH+](C)CC1 ZINC000353641590 1017610804 /nfs/dbraw/zinc/61/08/04/1017610804.db2.gz JDDFRVBXWYVWER-OAHLLOKOSA-N 2 0 318.530 3.653 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)C1CC1 ZINC000623998528 1017626797 /nfs/dbraw/zinc/62/67/97/1017626797.db2.gz VLYPHMRHMPNIOA-KRWDZBQOSA-N 2 0 310.844 3.930 20 0 DHADRP Cc1nc(C(C)C)ccc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000339008800 1032713602 /nfs/dbraw/zinc/71/36/02/1032713602.db2.gz BPTMHLDGKRRJSW-SFHVURJKSA-N 2 0 315.505 3.677 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119836 1017692718 /nfs/dbraw/zinc/69/27/18/1017692718.db2.gz KSBCMGNVRQPEKQ-IAGOWNOFSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000624123486 1017696019 /nfs/dbraw/zinc/69/60/19/1017696019.db2.gz MZFDEAQLUNZVBT-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C(C)C)cc1 ZINC000624122711 1017696278 /nfs/dbraw/zinc/69/62/78/1017696278.db2.gz ZKAXYJLGMCPRKX-APWZRJJASA-N 2 0 304.478 3.714 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1SC ZINC000624121447 1017696854 /nfs/dbraw/zinc/69/68/54/1017696854.db2.gz WMWQJMVONAQILC-LSDHHAIUSA-N 2 0 322.518 3.800 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000181168430 1017728846 /nfs/dbraw/zinc/72/88/46/1017728846.db2.gz SCGKRPFZMMSPDV-OXJNMPFZSA-N 2 0 324.468 3.935 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000666977308 1032721390 /nfs/dbraw/zinc/72/13/90/1032721390.db2.gz GCYGOVYWOASYNG-MJGOQNOKSA-N 2 0 310.441 3.623 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(OCC2CC2)c(F)c1 ZINC000181594501 1017772327 /nfs/dbraw/zinc/77/23/27/1017772327.db2.gz QDHHULJTBDEKDN-WMLDXEAASA-N 2 0 320.452 3.749 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(Cn2ccnc2)cc1)Cc1ccccc1 ZINC000182052744 1017853726 /nfs/dbraw/zinc/85/37/26/1017853726.db2.gz XMVBMTVYCHIGEO-GOSISDBHSA-N 2 0 319.452 3.900 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445470427 1017868396 /nfs/dbraw/zinc/86/83/96/1017868396.db2.gz KOOSHFGDPAEBQD-IRXDYDNUSA-N 2 0 300.490 3.900 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657714590 1017938016 /nfs/dbraw/zinc/93/80/16/1017938016.db2.gz ZKKPFBLIWCPIIA-WOJBJXKFSA-N 2 0 318.424 3.612 20 0 DHADRP Clc1ccc(SCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000565599228 1032731091 /nfs/dbraw/zinc/73/10/91/1032731091.db2.gz SEAXXXRHFHMAOA-INIZCTEOSA-N 2 0 310.894 3.508 20 0 DHADRP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])on2)cc1 ZINC000404353534 1018004960 /nfs/dbraw/zinc/00/49/60/1018004960.db2.gz KOGZBTDCOVJVPO-DNVCBOLYSA-N 2 0 313.445 3.599 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032734 1018050496 /nfs/dbraw/zinc/05/04/96/1018050496.db2.gz FYSWEBILESSYKY-HNNXBMFYSA-N 2 0 314.498 3.631 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658093269 1018067821 /nfs/dbraw/zinc/06/78/21/1018067821.db2.gz UEMUIEADAOWOMN-BFYDXBDKSA-N 2 0 304.478 3.650 20 0 DHADRP CCC[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1cccnc1 ZINC000184932908 1018098471 /nfs/dbraw/zinc/09/84/71/1018098471.db2.gz QJQVEJFJGJXIOP-NRFANRHFSA-N 2 0 323.484 3.961 20 0 DHADRP C[N@H+](CCCOC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000674909621 1018193812 /nfs/dbraw/zinc/19/38/12/1018193812.db2.gz QQNMRNINBJZJQM-LJQANCHMSA-N 2 0 318.505 3.646 20 0 DHADRP CC1(C)CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166854 1018196830 /nfs/dbraw/zinc/19/68/30/1018196830.db2.gz QEMBWUYGDBRFHO-IBGZPJMESA-N 2 0 315.505 3.852 20 0 DHADRP C[C@H](CC1CCCC1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168748 1018202207 /nfs/dbraw/zinc/20/22/07/1018202207.db2.gz YJRWWXZNGYAODT-QGZVFWFLSA-N 2 0 315.505 3.852 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261825074 1018230162 /nfs/dbraw/zinc/23/01/62/1018230162.db2.gz WYWBGDBXGGBXHI-SLFFLAALSA-N 2 0 316.489 3.624 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](COC)C2CCCC2)cc1 ZINC000446759509 1018245048 /nfs/dbraw/zinc/24/50/48/1018245048.db2.gz GEGXLOJRKYEMBR-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP FC(F)(F)Sc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000841078190 1018281633 /nfs/dbraw/zinc/28/16/33/1018281633.db2.gz FVJPWJDORCINSE-ZDUSSCGKSA-N 2 0 316.392 3.530 20 0 DHADRP Cc1cc(Cl)cc(C)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446891317 1018286907 /nfs/dbraw/zinc/28/69/07/1018286907.db2.gz WYLMYFXYLHALOT-UHFFFAOYSA-N 2 0 306.881 3.921 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cncs1 ZINC000125469694 1018287170 /nfs/dbraw/zinc/28/71/70/1018287170.db2.gz PKIIJPGIBAJUQR-CYBMUJFWSA-N 2 0 321.515 3.767 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658222056 1018295847 /nfs/dbraw/zinc/29/58/47/1018295847.db2.gz UKBJJZABCBVZQF-HYVNUMGLSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000764601627 1018329841 /nfs/dbraw/zinc/32/98/41/1018329841.db2.gz XAMYNKVAPLUECU-QZTJIDSGSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000658253418 1018360679 /nfs/dbraw/zinc/36/06/79/1018360679.db2.gz MIQRYNQJMUGGFV-IRXDYDNUSA-N 2 0 322.537 3.965 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000174372289 1018422100 /nfs/dbraw/zinc/42/21/00/1018422100.db2.gz QFUYKLUIPXUKOK-SFHVURJKSA-N 2 0 324.468 3.794 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(C)(C)c1ccccc1 ZINC000447565141 1018426840 /nfs/dbraw/zinc/42/68/40/1018426840.db2.gz JAJAHIBYAGYSKK-MRXNPFEDSA-N 2 0 300.490 3.817 20 0 DHADRP C[C@H](CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000447726540 1018459690 /nfs/dbraw/zinc/45/96/90/1018459690.db2.gz HDBRFHBRJLYTND-RTBURBONSA-N 2 0 300.490 3.988 20 0 DHADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccc1C ZINC000447811358 1018480825 /nfs/dbraw/zinc/48/08/25/1018480825.db2.gz FCECCHSNIWNPLW-MRXNPFEDSA-N 2 0 304.478 3.605 20 0 DHADRP c1ccc2cc(CC[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC000675499648 1018510647 /nfs/dbraw/zinc/51/06/47/1018510647.db2.gz HEMHQINKWOMPRL-UHFFFAOYSA-N 2 0 317.436 3.600 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000650719622 1018567511 /nfs/dbraw/zinc/56/75/11/1018567511.db2.gz WQMAEDDUSYDSAA-UHFFFAOYSA-N 2 0 312.457 3.731 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCC2CCCCC2)C1 ZINC000650724422 1018583765 /nfs/dbraw/zinc/58/37/65/1018583765.db2.gz FWIFYEOLSMZNDK-GUDVDZBRSA-N 2 0 308.510 3.708 20 0 DHADRP C[C@@H]([NH2+]CCc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC000675783341 1018589477 /nfs/dbraw/zinc/58/94/77/1018589477.db2.gz GLHRZVNKRHLCLD-CQSZACIVSA-N 2 0 302.487 3.764 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000675787195 1018591989 /nfs/dbraw/zinc/59/19/89/1018591989.db2.gz ZUCWPLJETGCJGB-VQTJNVASSA-N 2 0 318.505 3.693 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000675813129 1018599861 /nfs/dbraw/zinc/59/98/61/1018599861.db2.gz GIZQAKUMSJKZSA-VAMGGRTRSA-N 2 0 300.490 3.719 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+]CC(C)(C)N1CCC(OC)CC1 ZINC000675833413 1018605723 /nfs/dbraw/zinc/60/57/23/1018605723.db2.gz QBKUWSNUGUDDJG-OAHLLOKOSA-N 2 0 324.534 3.548 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000675927685 1018627327 /nfs/dbraw/zinc/62/73/27/1018627327.db2.gz CPRSITAWIGIXBP-QEJZJMRPSA-N 2 0 306.416 3.675 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000675927683 1018628141 /nfs/dbraw/zinc/62/81/41/1018628141.db2.gz CPRSITAWIGIXBP-AEGPPILISA-N 2 0 306.416 3.675 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)C2 ZINC001171549506 1032773040 /nfs/dbraw/zinc/77/30/40/1032773040.db2.gz BQCAHTAOMQOQAW-LJQANCHMSA-N 2 0 300.490 3.564 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000650745591 1018643070 /nfs/dbraw/zinc/64/30/70/1018643070.db2.gz JZBRGSYNFFCXEH-CQSZACIVSA-N 2 0 310.894 3.986 20 0 DHADRP COc1ccc([C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc2)cc1 ZINC000650745949 1018644502 /nfs/dbraw/zinc/64/45/02/1018644502.db2.gz RUOFQUPJXNZAKH-LJQANCHMSA-N 2 0 310.441 3.503 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)sc1Br ZINC000650747195 1018647168 /nfs/dbraw/zinc/64/71/68/1018647168.db2.gz UNCMIXQSQPECDW-JTQLQIEISA-N 2 0 317.296 3.599 20 0 DHADRP Cc1cccc2c1CC[C@H]([N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171558499 1032777552 /nfs/dbraw/zinc/77/75/52/1032777552.db2.gz KDZNXKUTIKVVRR-IHPCNDPISA-N 2 0 312.501 3.977 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(OC(F)F)cc1 ZINC000650751821 1018666810 /nfs/dbraw/zinc/66/68/10/1018666810.db2.gz BYZQSWKMQNMLDF-LLVKDONJSA-N 2 0 324.346 3.737 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755363 1018683294 /nfs/dbraw/zinc/68/32/94/1018683294.db2.gz CSVISNTWDOQEOE-ZDUSSCGKSA-N 2 0 312.388 3.751 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH3+])(CC3CCC3)CC1)C2 ZINC001171558461 1032779062 /nfs/dbraw/zinc/77/90/62/1032779062.db2.gz JHBHFXFMVILQRC-IBGZPJMESA-N 2 0 312.501 3.836 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCSC(F)(F)F)CC2)C1 ZINC000765238074 1018727460 /nfs/dbraw/zinc/72/74/60/1018727460.db2.gz BVCHTTIINKQWPF-GXTWGEPZSA-N 2 0 324.456 3.872 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C2 ZINC001171561372 1032784769 /nfs/dbraw/zinc/78/47/69/1032784769.db2.gz YFUJGUWKEPBVHY-IBGZPJMESA-N 2 0 300.490 3.562 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@H](C)C1 ZINC000624267253 1018770800 /nfs/dbraw/zinc/77/08/00/1018770800.db2.gz HHRRFDGRHBYLRZ-VQIMIIECSA-N 2 0 309.457 3.569 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(SC(F)F)cc1 ZINC000765450145 1018791178 /nfs/dbraw/zinc/79/11/78/1018791178.db2.gz MDSADXULPSULMS-NWDGAFQWSA-N 2 0 302.434 3.992 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C(C)(C)O1 ZINC000765451658 1018796618 /nfs/dbraw/zinc/79/66/18/1018796618.db2.gz COCOMZKYXPDHQS-SFHVURJKSA-N 2 0 322.537 3.967 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657815679 1018821198 /nfs/dbraw/zinc/82/11/98/1018821198.db2.gz JEFTVOQDPXFXAW-HUUCEWRRSA-N 2 0 303.450 3.989 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000584001936 1018821467 /nfs/dbraw/zinc/82/14/67/1018821467.db2.gz FQDCJEVKAWPEPQ-DOTOQJQBSA-N 2 0 304.478 3.565 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)CC(F)F ZINC000647318498 1018836682 /nfs/dbraw/zinc/83/66/82/1018836682.db2.gz QJWAFQYOGQLMDA-IJEWVQPXSA-N 2 0 302.453 3.910 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000647318657 1018837069 /nfs/dbraw/zinc/83/70/69/1018837069.db2.gz VYWZSBNMSCNRRO-UONOGXRCSA-N 2 0 314.420 3.569 20 0 DHADRP Clc1ccccc1[C@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000657818196 1018859852 /nfs/dbraw/zinc/85/98/52/1018859852.db2.gz ACKQGDJSFBFOJG-NVXWUHKLSA-N 2 0 303.837 3.853 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)C1 ZINC000584021226 1018860383 /nfs/dbraw/zinc/86/03/83/1018860383.db2.gz LLHKXXDTHLPJIO-YEHDIQIFSA-N 2 0 324.512 3.957 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)CC1 ZINC000921810729 1018891675 /nfs/dbraw/zinc/89/16/75/1018891675.db2.gz UTIJGLWMSOBJPW-JENIJYKNSA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921819898 1018906093 /nfs/dbraw/zinc/90/60/93/1018906093.db2.gz IYBSICUWJSGGJV-SLFFLAALSA-N 2 0 322.537 3.539 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921819897 1018906383 /nfs/dbraw/zinc/90/63/83/1018906383.db2.gz IYBSICUWJSGGJV-HSALFYBXSA-N 2 0 322.537 3.539 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278600078 1018908357 /nfs/dbraw/zinc/90/83/57/1018908357.db2.gz ZLFWPKSSBVRUQD-OAHLLOKOSA-N 2 0 318.530 3.804 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000665280788 1018932684 /nfs/dbraw/zinc/93/26/84/1018932684.db2.gz LPKDFSDWZQFZPL-QMTHXVAHSA-N 2 0 317.246 3.612 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000080650344 1018942057 /nfs/dbraw/zinc/94/20/57/1018942057.db2.gz KEUJXDHNHFXMRU-INIZCTEOSA-N 2 0 322.468 3.710 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCCc3cnccc32)CC1(C)C ZINC001171630482 1032797162 /nfs/dbraw/zinc/79/71/62/1032797162.db2.gz OVWHVWFIDPEJAC-KRWDZBQOSA-N 2 0 301.478 3.700 20 0 DHADRP Fc1ccc(CSCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168356719 1032797393 /nfs/dbraw/zinc/79/73/93/1032797393.db2.gz UFNABRJWGHGZNW-UHFFFAOYSA-N 2 0 322.493 3.523 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000921537933 1018953579 /nfs/dbraw/zinc/95/35/79/1018953579.db2.gz ZUXBFSMLJRJFFO-OAHLLOKOSA-N 2 0 309.885 3.788 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccccn3)CC2)cc1 ZINC000159052546 1018987581 /nfs/dbraw/zinc/98/75/81/1018987581.db2.gz DOTWLZGDVQDIAY-SFHVURJKSA-N 2 0 323.484 3.953 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccn3)CC2)cc1 ZINC000159052698 1018989438 /nfs/dbraw/zinc/98/94/38/1018989438.db2.gz DOTWLZGDVQDIAY-GOSISDBHSA-N 2 0 323.484 3.953 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000657833669 1019003485 /nfs/dbraw/zinc/00/34/85/1019003485.db2.gz BQFXTXKCAKLZSS-UHFFFAOYSA-N 2 0 310.432 3.704 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCCc2ccc(F)cc2)CC1(C)C ZINC001171622278 1032803805 /nfs/dbraw/zinc/80/38/05/1032803805.db2.gz ZBVISUFBFDEXBA-UHFFFAOYSA-N 2 0 306.469 3.999 20 0 DHADRP COc1cccc2cc(C[NH2+]C(C)(C)CCC[NH+](C)C)oc21 ZINC000387233434 1019061226 /nfs/dbraw/zinc/06/12/26/1019061226.db2.gz VTATWDUXNOEMJV-UHFFFAOYSA-N 2 0 304.434 3.651 20 0 DHADRP COc1ccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(F)c1 ZINC001171625351 1032805267 /nfs/dbraw/zinc/80/52/67/1032805267.db2.gz IGXCGLYCLIUHTG-UHFFFAOYSA-N 2 0 322.468 3.618 20 0 DHADRP Cc1sccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708514926 1019097911 /nfs/dbraw/zinc/09/79/11/1019097911.db2.gz WBNJJURGLVUQOR-BEFAXECRSA-N 2 0 314.498 3.914 20 0 DHADRP C[N@@H+]1CC[C@H](c2ccc(N3C[C@@H](CC[NH3+])c4ccccc43)cc2)C1 ZINC001168554907 1019121213 /nfs/dbraw/zinc/12/12/13/1019121213.db2.gz GMWRARSLOYOODS-ZWKOTPCHSA-N 2 0 321.468 3.690 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171627650 1032811306 /nfs/dbraw/zinc/81/13/06/1032811306.db2.gz ZJPXTLKSKBZPRQ-UHFFFAOYSA-N 3 0 323.569 3.595 20 0 DHADRP C[C@H](c1cccc2ccccc21)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449219 1019208675 /nfs/dbraw/zinc/20/86/75/1019208675.db2.gz LRWDDSSWSVDREF-AEFFLSMTSA-N 2 0 324.468 3.731 20 0 DHADRP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451140 1019210963 /nfs/dbraw/zinc/21/09/63/1019210963.db2.gz YTNLLUSIBXTQOQ-OXQOHEQNSA-N 2 0 324.468 3.731 20 0 DHADRP FCC1(CF)CC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000657858753 1019309580 /nfs/dbraw/zinc/30/95/80/1019309580.db2.gz KKNIVVWVNLSGLF-QGZVFWFLSA-N 2 0 322.443 3.576 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000672614631 1019318565 /nfs/dbraw/zinc/31/85/65/1019318565.db2.gz ZTCLDPHVERLKDE-IAGOWNOFSA-N 2 0 318.505 3.897 20 0 DHADRP CC(C)c1ccc(O[C@@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000672614632 1019319184 /nfs/dbraw/zinc/31/91/84/1019319184.db2.gz ZTCLDPHVERLKDE-IRXDYDNUSA-N 2 0 318.505 3.897 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000672614626 1019319560 /nfs/dbraw/zinc/31/95/60/1019319560.db2.gz ZRASPXLMHKCFOC-NZSAHSFTSA-N 2 0 316.489 3.794 20 0 DHADRP CCOC1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000657859309 1019348204 /nfs/dbraw/zinc/34/82/04/1019348204.db2.gz SIQZDZGCLUCGTL-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP c1nc(C2CC2)c(C[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000487292126 1019359146 /nfs/dbraw/zinc/35/91/46/1019359146.db2.gz ADIRJTJLSNCSBW-UHFFFAOYSA-N 2 0 307.507 3.766 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2scnc2C2CC2)ccc1F ZINC000487315322 1019362526 /nfs/dbraw/zinc/36/25/26/1019362526.db2.gz XXWPPIFJKAXYDB-UHFFFAOYSA-N 2 0 319.449 3.511 20 0 DHADRP CC(C)CSCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000611032740 1019388529 /nfs/dbraw/zinc/38/85/29/1019388529.db2.gz ANQKHTSPLMKUMB-UHFFFAOYSA-N 2 0 300.556 3.818 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCCCCO)CC1 ZINC000158833751 1019394401 /nfs/dbraw/zinc/39/44/01/1019394401.db2.gz AICGQINFGOQWLE-SFHVURJKSA-N 2 0 310.526 3.516 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137078385 1019421048 /nfs/dbraw/zinc/42/10/48/1019421048.db2.gz POIDURROZRHSRH-UHFFFAOYSA-N 2 0 319.674 3.534 20 0 DHADRP C[NH+](C)CCC1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000056523425 1019532864 /nfs/dbraw/zinc/53/28/64/1019532864.db2.gz GODKCXFXWODSPB-UHFFFAOYSA-N 2 0 319.474 3.567 20 0 DHADRP C[C@H](C[NH2+][C@@H]1Cc2cccc(Cl)c2C1)CC(C)(C)CC[NH3+] ZINC001168705608 1019641903 /nfs/dbraw/zinc/64/19/03/1019641903.db2.gz VSXQYCKEMAOMKR-DZGCQCFKSA-N 2 0 308.897 3.798 20 0 DHADRP C[C@H]1C[C@@H](n2cc(C[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171727796 1032848838 /nfs/dbraw/zinc/84/88/38/1032848838.db2.gz YJNZPCJDHHCNRS-QFBILLFUSA-N 2 0 319.452 3.936 20 0 DHADRP FCC1(CF)CC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000657875644 1019721112 /nfs/dbraw/zinc/72/11/12/1019721112.db2.gz HPPLTTBEXTYXRQ-QGZVFWFLSA-N 2 0 314.464 3.709 20 0 DHADRP C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171733709 1032849504 /nfs/dbraw/zinc/84/95/04/1032849504.db2.gz XYJNEOOUTMDKDX-IMFGXOCKSA-N 2 0 321.468 3.560 20 0 DHADRP CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000926582943 1019763875 /nfs/dbraw/zinc/76/38/75/1019763875.db2.gz RHXLHFASAKPYRE-KHYOSLBOSA-N 2 0 304.478 3.602 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657888017 1019778857 /nfs/dbraw/zinc/77/88/57/1019778857.db2.gz IRNHBVNBVBWUBE-ZDUSSCGKSA-N 2 0 311.420 3.792 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000685411123 1019796024 /nfs/dbraw/zinc/79/60/24/1019796024.db2.gz JVCOLUOITAOTQT-UHFFFAOYSA-N 2 0 300.446 3.985 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)c1ccccc1 ZINC000166693498 1019813164 /nfs/dbraw/zinc/81/31/64/1019813164.db2.gz NQKRSDCUZHAUKM-OTWHNJEPSA-N 2 0 300.490 3.959 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000685462770 1019844271 /nfs/dbraw/zinc/84/42/71/1019844271.db2.gz UBTSLIXUVFYWTE-UHFFFAOYSA-N 2 0 310.445 3.839 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000685473733 1019859069 /nfs/dbraw/zinc/85/90/69/1019859069.db2.gz UJRCHUCCSSCKPI-UHFFFAOYSA-N 2 0 320.387 3.585 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000371792489 1019906093 /nfs/dbraw/zinc/90/60/93/1019906093.db2.gz KZSQEHJFQLXYGG-HKUYNNGSSA-N 2 0 309.457 3.644 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000657504747 1019910328 /nfs/dbraw/zinc/91/03/28/1019910328.db2.gz MSYOLQRGFSADTQ-WOVMCDHWSA-N 2 0 315.486 3.548 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000926602061 1019936461 /nfs/dbraw/zinc/93/64/61/1019936461.db2.gz REJYOPOFNLTHHX-INIZCTEOSA-N 2 0 310.551 3.620 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001172878825 1033452990 /nfs/dbraw/zinc/45/29/90/1033452990.db2.gz KRMCJVWEZJIPER-UKRRQHHQSA-N 2 0 312.910 3.895 20 0 DHADRP C[C@H]1CCCCN1c1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001168597157 1020003603 /nfs/dbraw/zinc/00/36/03/1020003603.db2.gz WMCIBEPVPYSSQY-ULQDDVLXSA-N 2 0 316.493 3.745 20 0 DHADRP C[C@H]([NH2+]CCn1ccc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000671765023 1020011622 /nfs/dbraw/zinc/01/16/22/1020011622.db2.gz RFYIAYDWHRPZSJ-AWEZNQCLSA-N 2 0 319.880 3.615 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000480628441 1020011719 /nfs/dbraw/zinc/01/17/19/1020011719.db2.gz YBOCWJALKDDPFM-DNVCBOLYSA-N 2 0 304.453 3.915 20 0 DHADRP Cc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813528 1020034078 /nfs/dbraw/zinc/03/40/78/1020034078.db2.gz QKJFKRBYFAJMIS-QGZVFWFLSA-N 2 0 300.490 3.638 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000360441315 1020066454 /nfs/dbraw/zinc/06/64/54/1020066454.db2.gz GEAOQMOTPMRRMQ-WFASDCNBSA-N 2 0 310.894 3.808 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C(F)F)nc1 ZINC000657994756 1020078958 /nfs/dbraw/zinc/07/89/58/1020078958.db2.gz WLYAVRXNSUBBPT-GFCCVEGCSA-N 2 0 309.404 3.544 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658095281 1020141383 /nfs/dbraw/zinc/14/13/83/1020141383.db2.gz FZPMAYGGNDFRMM-IAAVTCLWSA-N 2 0 316.489 3.650 20 0 DHADRP Cc1ccncc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658127796 1020175307 /nfs/dbraw/zinc/17/53/07/1020175307.db2.gz WVXIXEBCOPVBOX-XLIONFOSSA-N 2 0 315.505 3.565 20 0 DHADRP CCCC(CCC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165019 1020197984 /nfs/dbraw/zinc/19/79/84/1020197984.db2.gz BYKKWUCNHUHAEY-UHFFFAOYSA-N 2 0 303.494 3.852 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)NCc1ncc(CN(C)C)s1 ZINC000922668257 1020201146 /nfs/dbraw/zinc/20/11/46/1020201146.db2.gz ALEBWBYAZOHOQD-LBPRGKRZSA-N 2 0 307.438 3.503 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cc(Cl)ccc2Cl)C1 ZINC000087759222 1020201445 /nfs/dbraw/zinc/20/14/45/1020201445.db2.gz IRCCNWYGKFZGAT-LBPRGKRZSA-N 2 0 301.261 3.813 20 0 DHADRP CC(C)(F)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658191310 1020213419 /nfs/dbraw/zinc/21/34/19/1020213419.db2.gz PVIWAFHLQGWAQX-BCDXTJNWSA-N 2 0 304.453 3.910 20 0 DHADRP c1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)co1 ZINC000658200602 1020219808 /nfs/dbraw/zinc/21/98/08/1020219808.db2.gz OMCLSXXKIPETAC-OWZKRDHZSA-N 2 0 310.441 3.607 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccoc2)CC1 ZINC000658201715 1020221644 /nfs/dbraw/zinc/22/16/44/1020221644.db2.gz RAVNEVDZRTVUKL-UHFFFAOYSA-N 2 0 312.457 3.855 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000658223994 1020231065 /nfs/dbraw/zinc/23/10/65/1020231065.db2.gz QWEARVDCVJVUMW-MAUKXSAKSA-N 2 0 322.443 3.717 20 0 DHADRP Cc1cnc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000922740137 1020241021 /nfs/dbraw/zinc/24/10/21/1020241021.db2.gz CONDNDGWFRAIMZ-QUCCMNQESA-N 2 0 323.484 3.841 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000658217994 1020244656 /nfs/dbraw/zinc/24/46/56/1020244656.db2.gz IGNRXUGCFYGQKC-FVQBIDKESA-N 2 0 300.437 3.664 20 0 DHADRP Clc1cc(Cl)cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166338265 1020259633 /nfs/dbraw/zinc/25/96/33/1020259633.db2.gz QCQLIVYBLPSWPX-JKSUJKDBSA-N 2 0 313.272 3.752 20 0 DHADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1(C)C ZINC000765805459 1020263391 /nfs/dbraw/zinc/26/33/91/1020263391.db2.gz CNDYMYXFMOGWGI-RTBURBONSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658283168 1020280023 /nfs/dbraw/zinc/28/00/23/1020280023.db2.gz KFNZFYDKVUZTDP-PVAVHDDUSA-N 2 0 322.443 3.778 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000922847739 1020308091 /nfs/dbraw/zinc/30/80/91/1020308091.db2.gz WLTQEQZKNOZWQZ-UHFFFAOYSA-N 2 0 324.472 3.573 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C(F)F)nc1 ZINC000658353521 1020319757 /nfs/dbraw/zinc/31/97/57/1020319757.db2.gz NVMPBLZYLMBJCX-CYBMUJFWSA-N 2 0 323.431 3.792 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355932 1020320988 /nfs/dbraw/zinc/32/09/88/1020320988.db2.gz LTESNGFCPLYSPB-IBGZPJMESA-N 2 0 302.437 3.525 20 0 DHADRP Cc1ccccc1C1CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000658357067 1020323333 /nfs/dbraw/zinc/32/33/33/1020323333.db2.gz QPLTTWKNYMKEHJ-UHFFFAOYSA-N 2 0 312.501 3.953 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000623655561 1020336675 /nfs/dbraw/zinc/33/66/75/1020336675.db2.gz ZTIVXCQDERLOHE-CQSZACIVSA-N 2 0 300.368 3.527 20 0 DHADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000390717748 1020372432 /nfs/dbraw/zinc/37/24/32/1020372432.db2.gz JMILQPWLOQKZGT-HXUWFJFHSA-N 2 0 324.468 3.783 20 0 DHADRP CCOc1ccc(CNCc2ccccc2C[NH+](CC)CC)o1 ZINC000892465030 1020385446 /nfs/dbraw/zinc/38/54/46/1020385446.db2.gz AXJUTAZEAMAXIO-UHFFFAOYSA-N 2 0 316.445 3.810 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000766014328 1020406626 /nfs/dbraw/zinc/40/66/26/1020406626.db2.gz QDEJFVGADXSNHG-FQEVSTJZSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655835227 1020408774 /nfs/dbraw/zinc/40/87/74/1020408774.db2.gz NDAOSVXHQHJMET-HBFSDRIKSA-N 2 0 323.484 3.513 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892479961 1020462396 /nfs/dbraw/zinc/46/23/96/1020462396.db2.gz VLRMDRXYXXDDQY-UHFFFAOYSA-N 2 0 308.416 3.673 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCCCF ZINC000569874255 1020516917 /nfs/dbraw/zinc/51/69/17/1020516917.db2.gz YEOHBZLKQKYFNV-IRXDYDNUSA-N 2 0 306.469 3.872 20 0 DHADRP C[C@H]([NH2+]C1CC(CF)(CF)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657968748 1020597549 /nfs/dbraw/zinc/59/75/49/1020597549.db2.gz YJEJQHDOINHPJS-RDJZCZTQSA-N 2 0 322.443 3.574 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000065996768 1020633584 /nfs/dbraw/zinc/63/35/84/1020633584.db2.gz ZNWQRNNCLVEUFA-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1C ZINC000858491158 1032918480 /nfs/dbraw/zinc/91/84/80/1032918480.db2.gz ZHEIHAHYMAMUJC-IAGOWNOFSA-N 2 0 304.478 3.695 20 0 DHADRP COc1c(C)cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000734849827 1020669646 /nfs/dbraw/zinc/66/96/46/1020669646.db2.gz OEYZNILBCBIIQD-QGZVFWFLSA-N 2 0 306.494 3.768 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281032674 1020746687 /nfs/dbraw/zinc/74/66/87/1020746687.db2.gz GCYSZPASMRLMLG-NJAFHUGGSA-N 2 0 322.443 3.922 20 0 DHADRP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2)[NH+]2CCCC2)cc1 ZINC000066243871 1020753578 /nfs/dbraw/zinc/75/35/78/1020753578.db2.gz KYTYSYFMSYAUOO-LJQANCHMSA-N 2 0 322.456 3.768 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCCC[NH+](C)C ZINC001171958919 1032926121 /nfs/dbraw/zinc/92/61/21/1032926121.db2.gz LGCXHCCCWFARFE-CQSZACIVSA-N 2 0 316.411 3.958 20 0 DHADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1CN(Cc2ccccc2)C1 ZINC000716276274 1020843035 /nfs/dbraw/zinc/84/30/35/1020843035.db2.gz BSIOPYPJRJJIQT-NRFANRHFSA-N 2 0 308.469 3.729 20 0 DHADRP CC1(C)C[C@@H](NCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171964001 1032934983 /nfs/dbraw/zinc/93/49/83/1032934983.db2.gz JQYVPTXMSPNBIH-IBGZPJMESA-N 2 0 309.457 3.614 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001171966993 1032936802 /nfs/dbraw/zinc/93/68/02/1032936802.db2.gz XPKYAHHNEBITSP-NSHDSACASA-N 2 0 302.384 3.742 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)CCO2 ZINC000178105902 1020934761 /nfs/dbraw/zinc/93/47/61/1020934761.db2.gz LPMJZTMKCSDQOX-KRWDZBQOSA-N 2 0 316.489 3.784 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1C[C@H]1C ZINC000414150708 1020942807 /nfs/dbraw/zinc/94/28/07/1020942807.db2.gz PJMIOXJCVXMAKM-XPGWFJOJSA-N 2 0 316.489 3.684 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCCO2 ZINC000414163845 1020952527 /nfs/dbraw/zinc/95/25/27/1020952527.db2.gz GVMMPJGMCIEJTI-IBGZPJMESA-N 2 0 321.424 3.955 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CCS2 ZINC000414169397 1020958088 /nfs/dbraw/zinc/95/80/88/1020958088.db2.gz BBJFAQCIQUTNIZ-RHSMWYFYSA-N 2 0 320.502 3.554 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000414170890 1020959132 /nfs/dbraw/zinc/95/91/32/1020959132.db2.gz CPUGSKVFISYUIJ-SJLPKXTDSA-N 2 0 302.462 3.530 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1F ZINC000171126678 1020974537 /nfs/dbraw/zinc/97/45/37/1020974537.db2.gz YOQZGWXJXODLKG-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000414188424 1020975111 /nfs/dbraw/zinc/97/51/11/1020975111.db2.gz QRIKYRQQIAKYKY-PBHICJAKSA-N 2 0 322.880 3.875 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CS1 ZINC000414230364 1021016783 /nfs/dbraw/zinc/01/67/83/1021016783.db2.gz NTYKINVZUXNTFF-WEOZKBJRSA-N 2 0 318.530 3.913 20 0 DHADRP Cc1nc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sc1C ZINC000892590854 1021051636 /nfs/dbraw/zinc/05/16/36/1021051636.db2.gz YCNYSFQIBYEYHK-ZIAGYGMSSA-N 2 0 309.523 3.608 20 0 DHADRP COC1([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000414301534 1021072871 /nfs/dbraw/zinc/07/28/71/1021072871.db2.gz JVPOCDIGWXOGFI-LNLFQRSKSA-N 2 0 316.489 3.587 20 0 DHADRP COC1([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000414301537 1021073204 /nfs/dbraw/zinc/07/32/04/1021073204.db2.gz JVPOCDIGWXOGFI-ZIFCJYIRSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000653279626 1021078997 /nfs/dbraw/zinc/07/89/97/1021078997.db2.gz VTKJAQMOQCXSIM-IUODEOHRSA-N 2 0 304.434 3.866 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000414308500 1021079280 /nfs/dbraw/zinc/07/92/80/1021079280.db2.gz QLZGCADGRSZERL-RYRKJORJSA-N 2 0 308.510 3.577 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000414310252 1021082468 /nfs/dbraw/zinc/08/24/68/1021082468.db2.gz KTGBENXEIKSOFP-CKVGWXAMSA-N 2 0 322.537 3.824 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000449079814 1021083287 /nfs/dbraw/zinc/08/32/87/1021083287.db2.gz QDXDGWCDHRWCJD-PMACEKPBSA-N 2 0 323.569 3.599 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCC[C@H]2F)CC1 ZINC000414316372 1021087930 /nfs/dbraw/zinc/08/79/30/1021087930.db2.gz UJWLJFSMSZQJRC-PWIZWCRZSA-N 2 0 318.480 3.952 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000414343624 1021113578 /nfs/dbraw/zinc/11/35/78/1021113578.db2.gz QXIBUTUSGYCEHT-AEFFLSMTSA-N 2 0 324.553 3.806 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1cccc(Cl)c1 ZINC000414364943 1021135902 /nfs/dbraw/zinc/13/59/02/1021135902.db2.gz NGOZIPFRQYMNGL-IXDOHACOSA-N 2 0 322.880 3.714 20 0 DHADRP CC1(C)C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC001171972206 1032957194 /nfs/dbraw/zinc/95/71/94/1032957194.db2.gz OIBNSTXPCPXQNB-MSOLQXFVSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000647552369 1021158586 /nfs/dbraw/zinc/15/85/86/1021158586.db2.gz XQFDJSBGMNFXIN-GJZGRUSLSA-N 2 0 316.420 3.620 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCS2 ZINC000187187906 1021170477 /nfs/dbraw/zinc/17/04/77/1021170477.db2.gz WZISUMPQUATZME-DOTOQJQBSA-N 2 0 304.503 3.772 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000537987739 1032960762 /nfs/dbraw/zinc/96/07/62/1032960762.db2.gz PTQUCJAGERIOGP-SWLSCSKDSA-N 2 0 312.860 3.687 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000090586657 1021232089 /nfs/dbraw/zinc/23/20/89/1021232089.db2.gz ZMSJUYYWDXPTLU-IRXDYDNUSA-N 2 0 304.478 3.714 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@]2(C)CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977650 1032966816 /nfs/dbraw/zinc/96/68/16/1032966816.db2.gz SYVWTMSXAUDBCE-QUCCMNQESA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)C1CCC(C(F)(F)F)CC1 ZINC000423472976 1021254788 /nfs/dbraw/zinc/25/47/88/1021254788.db2.gz NNDXZLGCNBECRB-APSKQVOWSA-N 2 0 306.416 3.851 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623862135 1021261230 /nfs/dbraw/zinc/26/12/30/1021261230.db2.gz MZDICDQDHARDMP-LPHOPBHVSA-N 2 0 304.478 3.574 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091305937 1021276101 /nfs/dbraw/zinc/27/61/01/1021276101.db2.gz BLPUYHIDPFNRSB-VQIMIIECSA-N 2 0 304.478 3.714 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000091335648 1021278001 /nfs/dbraw/zinc/27/80/01/1021278001.db2.gz LHBIDKORABKUGI-OXQOHEQNSA-N 2 0 316.489 3.858 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000166149798 1021387308 /nfs/dbraw/zinc/38/73/08/1021387308.db2.gz JEYPXAAJMKUYFQ-MOPGFXCFSA-N 2 0 320.521 3.721 20 0 DHADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262709597 1021441008 /nfs/dbraw/zinc/44/10/08/1021441008.db2.gz OYJRTBHMQGJGRR-BEFAXECRSA-N 2 0 317.477 3.517 20 0 DHADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000556094549 1021521809 /nfs/dbraw/zinc/52/18/09/1021521809.db2.gz VZSQNRYXEZSEGO-HKUYNNGSSA-N 2 0 320.521 3.580 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)CCCO2 ZINC000850440384 1021535577 /nfs/dbraw/zinc/53/55/77/1021535577.db2.gz WZYPPHSYAWHHEG-JCGIZDLHSA-N 2 0 302.462 3.535 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CC2)ccc1OC ZINC000182231044 1021559100 /nfs/dbraw/zinc/55/91/00/1021559100.db2.gz PSYGHDOPIMFKEK-LSDHHAIUSA-N 2 0 304.478 3.986 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000850542249 1021595778 /nfs/dbraw/zinc/59/57/78/1021595778.db2.gz KGNYXOVUDLLSQO-QFBILLFUSA-N 2 0 315.505 3.645 20 0 DHADRP ClC1(Cl)C[C@@H]1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686947 1021607830 /nfs/dbraw/zinc/60/78/30/1021607830.db2.gz ZAHVDWGTRHCHEI-HUUCEWRRSA-N 2 0 319.320 3.768 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415013866 1021617350 /nfs/dbraw/zinc/61/73/50/1021617350.db2.gz LJXNLHUDBGQXIJ-STQMWFEESA-N 2 0 302.384 3.916 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000093604581 1021632326 /nfs/dbraw/zinc/63/23/26/1021632326.db2.gz VNRYSSROTRPQGI-KRWDZBQOSA-N 2 0 324.468 3.766 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc(C[NH+](C)C)c1 ZINC000926868741 1021700574 /nfs/dbraw/zinc/70/05/74/1021700574.db2.gz ZODOEWNIVAJCLT-LZQZEXGQSA-N 2 0 302.462 3.501 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000926887213 1021775522 /nfs/dbraw/zinc/77/55/22/1021775522.db2.gz HEXNOCDNYXYJRH-ADEKHHIBSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1c(C)n([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccc(C[NH3+])cc12 ZINC001172102435 1033004937 /nfs/dbraw/zinc/00/49/37/1033004937.db2.gz MWUKRCHSOWENAN-BCDXTJNWSA-N 2 0 311.473 3.905 20 0 DHADRP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000619774739 1021885938 /nfs/dbraw/zinc/88/59/38/1021885938.db2.gz YRQNZGRAYNNSJV-SJLPKXTDSA-N 2 0 304.478 3.543 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000556869352 1021913438 /nfs/dbraw/zinc/91/34/38/1021913438.db2.gz GXIIACHHAMNDJE-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3ccc(Cl)cc31)C2 ZINC001172113200 1033015155 /nfs/dbraw/zinc/01/51/55/1033015155.db2.gz HLBZNOCPDDEQEP-IVSAIRAKSA-N 2 0 320.864 3.769 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000556886494 1021916300 /nfs/dbraw/zinc/91/63/00/1021916300.db2.gz KKXYUPXWAJDKFX-NZMUHZMNSA-N 2 0 302.437 3.534 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000556886493 1021918226 /nfs/dbraw/zinc/91/82/26/1021918226.db2.gz KKXYUPXWAJDKFX-NCTLDZBQSA-N 2 0 302.437 3.534 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CCC1)C2 ZINC001172113900 1033015840 /nfs/dbraw/zinc/01/58/40/1033015840.db2.gz KMZCAPCIKNIDGE-MUJYYYPQSA-N 2 0 302.437 3.810 20 0 DHADRP CN(CCC[NH+]1CCCC1)Cc1ccccc1N1CCCCC1 ZINC000919880920 1021947100 /nfs/dbraw/zinc/94/71/00/1021947100.db2.gz ZJYZNMVFUKOQMJ-UHFFFAOYSA-N 2 0 315.505 3.595 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)C2 ZINC001172116785 1033017799 /nfs/dbraw/zinc/01/77/99/1033017799.db2.gz IPMDOWXYXDOJED-MUJYYYPQSA-N 2 0 310.844 3.627 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)c1)C2 ZINC001172115886 1033020642 /nfs/dbraw/zinc/02/06/42/1033020642.db2.gz VVFQNHBMYBDNLP-BCDXTJNWSA-N 2 0 316.489 3.969 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3ccc(Cl)cc31)C2 ZINC001172113202 1033020993 /nfs/dbraw/zinc/02/09/93/1033020993.db2.gz HLBZNOCPDDEQEP-MPTYRVRUSA-N 2 0 320.864 3.769 20 0 DHADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000851813370 1022010825 /nfs/dbraw/zinc/01/08/25/1022010825.db2.gz UIPWKHCLEYYHBM-QXAKKESOSA-N 2 0 308.510 3.530 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccc(F)cc1)C2 ZINC001172119761 1033025371 /nfs/dbraw/zinc/02/53/71/1033025371.db2.gz HVNKLAGOAMTHQA-FCGDIQPGSA-N 2 0 302.437 3.978 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000387211235 1022058241 /nfs/dbraw/zinc/05/82/41/1022058241.db2.gz KWMRHDOUMUNVAV-QWHCGFSZSA-N 2 0 312.404 3.669 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CCc2ccccc2)C1 ZINC000538305407 1033029672 /nfs/dbraw/zinc/02/96/72/1033029672.db2.gz QMYABZDPZAEHIC-ICSRJNTNSA-N 2 0 302.506 3.919 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H](C)SC)ccc1OC ZINC000183378148 1022123098 /nfs/dbraw/zinc/12/30/98/1022123098.db2.gz NMIUMGDAIJEOGD-GJZGRUSLSA-N 2 0 324.534 3.939 20 0 DHADRP Clc1cccc(SCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000852746194 1022171338 /nfs/dbraw/zinc/17/13/38/1022171338.db2.gz GAWJXMCHUMUXLT-UHFFFAOYSA-N 2 0 310.894 3.508 20 0 DHADRP COc1cccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1Cl ZINC000659944946 1022228240 /nfs/dbraw/zinc/22/82/40/1022228240.db2.gz QCIJCPQEYGGGSE-INIZCTEOSA-N 2 0 322.880 3.799 20 0 DHADRP COc1cccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1Cl ZINC000659944947 1022229194 /nfs/dbraw/zinc/22/91/94/1022229194.db2.gz QCIJCPQEYGGGSE-MRXNPFEDSA-N 2 0 322.880 3.799 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)C1CC[NH+](C)CC1 ZINC000651357549 1022236983 /nfs/dbraw/zinc/23/69/83/1022236983.db2.gz SAAKCRFICILPTM-XIKOKIGWSA-N 2 0 308.416 3.662 20 0 DHADRP Cc1cccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309907776 1022238236 /nfs/dbraw/zinc/23/82/36/1022238236.db2.gz QZXBHIKQXYSODN-OAQYLSRUSA-N 2 0 308.469 3.997 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C[NH3+])cc3cc(Cl)ccc31)C2 ZINC001169094542 1022243631 /nfs/dbraw/zinc/24/36/31/1022243631.db2.gz MIGYSIQKPQIJTF-QDMKHBRRSA-N 2 0 303.837 3.551 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC001169099758 1022247246 /nfs/dbraw/zinc/24/72/46/1022247246.db2.gz VCYNFVRVWFLMKH-KSYCFECVSA-N 2 0 312.379 3.981 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C2 ZINC001169099556 1022247474 /nfs/dbraw/zinc/24/74/74/1022247474.db2.gz BHGVELWBGIPTIB-PHZGNYQRSA-N 2 0 313.272 3.751 20 0 DHADRP CCCC[C@@H](CC)COCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099796 1022248254 /nfs/dbraw/zinc/24/82/54/1022248254.db2.gz VXDOFRUXWPPLRB-AKHDSKFASA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001169080818 1022249782 /nfs/dbraw/zinc/24/97/82/1022249782.db2.gz USSXRFRXPDHDME-HXUWFJFHSA-N 2 0 302.506 3.917 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000766585713 1022253353 /nfs/dbraw/zinc/25/33/53/1022253353.db2.gz RIUBEXLDSWNDSZ-CRAIPNDOSA-N 2 0 314.473 3.753 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001169085922 1022253619 /nfs/dbraw/zinc/25/36/19/1022253619.db2.gz PXMCEMWKGLSSTF-PMACEKPBSA-N 2 0 300.490 3.671 20 0 DHADRP FC(F)(F)C1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925535553 1022258048 /nfs/dbraw/zinc/25/80/48/1022258048.db2.gz HKMXHWLDTZUTHT-CKUJCDMFSA-N 2 0 318.427 3.865 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3F)CCC1)C2 ZINC001169118187 1022257942 /nfs/dbraw/zinc/25/79/42/1022257942.db2.gz FHKABTJLJDTARA-OSYLJGHBSA-N 2 0 302.437 3.506 20 0 DHADRP Cc1ccc2c(C[C@H](C)[NH3+])cn([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC001169106862 1022266537 /nfs/dbraw/zinc/26/65/37/1022266537.db2.gz AMUNXQDZQLPWBQ-OWLYRPNTSA-N 2 0 311.473 3.637 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Cc3ccc(F)cc3)C1)C2 ZINC001169153327 1022286662 /nfs/dbraw/zinc/28/66/62/1022286662.db2.gz IXHRGCSFBOPBGT-FFGOWVMKSA-N 2 0 316.464 3.705 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000154493002 1022303113 /nfs/dbraw/zinc/30/31/13/1022303113.db2.gz LOBOPQAPPUWLPO-MOPGFXCFSA-N 2 0 323.569 3.599 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000154493092 1022303843 /nfs/dbraw/zinc/30/38/43/1022303843.db2.gz LOBOPQAPPUWLPO-RTBURBONSA-N 2 0 323.569 3.599 20 0 DHADRP CC[NH+]1CCC([NH2+]CCc2ccc(-c3ccccc3)cc2)CC1 ZINC001169221853 1022309399 /nfs/dbraw/zinc/30/93/99/1022309399.db2.gz QBKQZNZAFKHCSC-UHFFFAOYSA-N 2 0 308.469 3.970 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2CSc3ccccc3C2)CC1 ZINC001172202304 1033040306 /nfs/dbraw/zinc/04/03/06/1033040306.db2.gz MYESDNQWKNOFTA-GOSISDBHSA-N 2 0 318.530 3.756 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000651384585 1022328195 /nfs/dbraw/zinc/32/81/95/1022328195.db2.gz PVNSFIZVDQRSBU-FFZOFVMBSA-N 2 0 300.490 3.890 20 0 DHADRP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000155129124 1022370360 /nfs/dbraw/zinc/37/03/60/1022370360.db2.gz RIDAVCMDSDGMKK-MJGOQNOKSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000268839107 1022382554 /nfs/dbraw/zinc/38/25/54/1022382554.db2.gz YZBRIIYOOLKDKU-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP c1[nH]nc2c1[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000367629831 1022418895 /nfs/dbraw/zinc/41/88/95/1022418895.db2.gz BNVADWNOSDZFGC-IBGZPJMESA-N 2 0 324.472 3.563 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)c1cccnc1 ZINC000155978444 1022429129 /nfs/dbraw/zinc/42/91/29/1022429129.db2.gz IILMNRNSFIEUBA-FXAWDEMLSA-N 2 0 309.457 3.787 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000671098974 1022439492 /nfs/dbraw/zinc/43/94/92/1022439492.db2.gz ZABYKGYFBAQXNX-IRXDYDNUSA-N 2 0 318.505 3.822 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000671098973 1022439791 /nfs/dbraw/zinc/43/97/91/1022439791.db2.gz ZABYKGYFBAQXNX-IAGOWNOFSA-N 2 0 318.505 3.822 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000671098943 1022441087 /nfs/dbraw/zinc/44/10/87/1022441087.db2.gz JZLYFQPXKKBDHZ-IAGOWNOFSA-N 2 0 318.505 3.964 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)sc2C)[C@H](C)C1 ZINC001169553847 1022448357 /nfs/dbraw/zinc/44/83/57/1022448357.db2.gz FNIUVBBGWDXUFA-KDOFPFPSSA-N 2 0 324.534 3.592 20 0 DHADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000271829931 1022483195 /nfs/dbraw/zinc/48/31/95/1022483195.db2.gz DUYPJLFGKABDMZ-INIZCTEOSA-N 2 0 323.278 3.752 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000615462811 1022489892 /nfs/dbraw/zinc/48/98/92/1022489892.db2.gz ZHQGFXSSBOSDEE-UHFFFAOYSA-N 2 0 324.896 3.773 20 0 DHADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660116452 1022525813 /nfs/dbraw/zinc/52/58/13/1022525813.db2.gz ZUGVDNWBEXPZSW-IIAWOOMASA-N 2 0 300.437 3.617 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172200579 1033060457 /nfs/dbraw/zinc/06/04/57/1033060457.db2.gz LCPGVWRDAGRUBC-QGZVFWFLSA-N 2 0 318.530 3.946 20 0 DHADRP c1ccc(SCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157205137 1022532822 /nfs/dbraw/zinc/53/28/22/1022532822.db2.gz SKLYKVMVWLJTGD-QGZVFWFLSA-N 2 0 304.503 3.729 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CC1 ZINC001172247436 1033065685 /nfs/dbraw/zinc/06/56/85/1033065685.db2.gz OLTBHUIYJWVUIP-QAQDUYKDSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]1C[N@H+](Cc2csc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206024369 1022589199 /nfs/dbraw/zinc/58/91/99/1022589199.db2.gz IXKRCYSIHRHLPZ-CMPLNLGQSA-N 2 0 306.397 3.574 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(C)cc(C)c1 ZINC001172249083 1033071488 /nfs/dbraw/zinc/07/14/88/1033071488.db2.gz HKVMEMRRKGQWGQ-FQEVSTJZSA-N 2 0 318.505 3.845 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000158925143 1022676563 /nfs/dbraw/zinc/67/65/63/1022676563.db2.gz FJCUZRPAKNKGKA-HKUYNNGSSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000417409283 1022725609 /nfs/dbraw/zinc/72/56/09/1022725609.db2.gz VFZNNPMLPNUQMO-MGPUTAFESA-N 2 0 319.408 3.794 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172320128 1033083766 /nfs/dbraw/zinc/08/37/66/1033083766.db2.gz VIUHVZOHWFWTSR-AOIWGVFYSA-N 2 0 306.494 3.863 20 0 DHADRP CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605381 1022837828 /nfs/dbraw/zinc/83/78/28/1022837828.db2.gz WJKFTOMZHIYWOG-QFBILLFUSA-N 2 0 319.493 3.564 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621734504 1022844163 /nfs/dbraw/zinc/84/41/63/1022844163.db2.gz OOPSTOBHBSCYEL-IJEWVQPXSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621733830 1022845350 /nfs/dbraw/zinc/84/53/50/1022845350.db2.gz YSIGJVZCEXLIBL-NVXWUHKLSA-N 2 0 322.443 3.717 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000631158602 1022871883 /nfs/dbraw/zinc/87/18/83/1022871883.db2.gz YCVPSISSLRVDHK-INIZCTEOSA-N 2 0 314.395 3.613 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000163301951 1022908331 /nfs/dbraw/zinc/90/83/31/1022908331.db2.gz ZRNLUTNFICTNKH-NWDGAFQWSA-N 2 0 301.261 3.986 20 0 DHADRP CCc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397575293 1022916421 /nfs/dbraw/zinc/91/64/21/1022916421.db2.gz BVPAVMMKNYRSNF-UHFFFAOYSA-N 2 0 312.457 3.844 20 0 DHADRP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310075525 1022924401 /nfs/dbraw/zinc/92/44/01/1022924401.db2.gz GHPAGPNUWVHHTQ-NRFANRHFSA-N 2 0 324.468 3.697 20 0 DHADRP CCCCCOc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000414929631 1022927719 /nfs/dbraw/zinc/92/77/19/1022927719.db2.gz RWARYYMXBKNETO-DLBZAZTESA-N 2 0 320.477 3.624 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162564238 1022940724 /nfs/dbraw/zinc/94/07/24/1022940724.db2.gz DPVUITYRPRGHNO-HNNXBMFYSA-N 2 0 324.534 3.637 20 0 DHADRP CCCC[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000164440559 1022950471 /nfs/dbraw/zinc/95/04/71/1022950471.db2.gz LLXIUBJUCMMYAQ-UHFFFAOYSA-N 2 0 321.553 3.638 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001172326151 1033089536 /nfs/dbraw/zinc/08/95/36/1033089536.db2.gz CDNPJXVQAKSURX-DLBZAZTESA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000191808053 1022986101 /nfs/dbraw/zinc/98/61/01/1022986101.db2.gz VXXCECBOMYYFBX-MSOLQXFVSA-N 2 0 322.493 3.680 20 0 DHADRP C[C@@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000294909920 1022988150 /nfs/dbraw/zinc/98/81/50/1022988150.db2.gz ADWXFLIOQGKALK-PKOBYXMFSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnc2ccsc2c1 ZINC000295959228 1023000679 /nfs/dbraw/zinc/00/06/79/1023000679.db2.gz MVXRZUDFTXYQKD-JZIBPQBNSA-N 2 0 301.459 3.572 20 0 DHADRP CC[N@@H+]1CC[C@@H](NCc2ccc(F)cc2CSC)[C@H](C)C1 ZINC000167113356 1023030884 /nfs/dbraw/zinc/03/08/84/1023030884.db2.gz YGDCTWNWNVRMHE-CXAGYDPISA-N 2 0 310.482 3.509 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001167754589 1023049527 /nfs/dbraw/zinc/04/95/27/1023049527.db2.gz ZNBOCBAHTAAADG-APWZRJJASA-N 2 0 301.478 3.788 20 0 DHADRP Fc1ccc(CCCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000249880124 1023065094 /nfs/dbraw/zinc/06/50/94/1023065094.db2.gz HMQTVDLPGQIGRW-OALUTQOASA-N 2 0 304.453 3.755 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000089214765 1023072153 /nfs/dbraw/zinc/07/21/53/1023072153.db2.gz OVRLKPWJZWQJAE-KRWDZBQOSA-N 2 0 309.457 3.957 20 0 DHADRP C[C@]1(CN[C@H]2CCc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310085514 1023078912 /nfs/dbraw/zinc/07/89/12/1023078912.db2.gz NDDXJGBBDJNGDA-PZJWPPBQSA-N 2 0 321.468 3.571 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000643514098 1033104799 /nfs/dbraw/zinc/10/47/99/1033104799.db2.gz XSQFYKMACXZDES-ADLMAVQZSA-N 2 0 302.368 3.762 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCCN(C/C=C/c1ccc(Cl)cc1)C2 ZINC000660662420 1023368002 /nfs/dbraw/zinc/36/80/02/1023368002.db2.gz KBTGAXJJDLZOFY-BWDYHRDRSA-N 2 0 304.865 3.771 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCOc1cccc(Cl)c1)C2 ZINC000660659975 1023368659 /nfs/dbraw/zinc/36/86/59/1023368659.db2.gz SBAPZVBEQZAPPT-GOSISDBHSA-N 2 0 322.880 3.527 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001172341587 1033127008 /nfs/dbraw/zinc/12/70/08/1033127008.db2.gz HGBXCMAAPDZIQN-KURKYZTESA-N 2 0 306.494 3.677 20 0 DHADRP C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(-n2ccnc2)c1 ZINC000093077741 1023421201 /nfs/dbraw/zinc/42/12/01/1023421201.db2.gz QNHLAPXCYVPJQD-ZDUSSCGKSA-N 2 0 324.453 3.668 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000538711915 1033139693 /nfs/dbraw/zinc/13/96/93/1033139693.db2.gz WMNZBKUIPYEITF-UHFFFAOYSA-N 2 0 306.469 3.811 20 0 DHADRP CCC(C)(C)[C@@H](C)[NH2+]CC1(C[NH2+][C@H](C)C(C)(C)CC)COC1 ZINC000661231941 1023532546 /nfs/dbraw/zinc/53/25/46/1023532546.db2.gz SJRJBNHWZPWLAH-HZPDHXFCSA-N 2 0 312.542 3.832 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2OC(C)(C)C3)[C@@H](C)C1 ZINC000538717384 1033142030 /nfs/dbraw/zinc/14/20/30/1033142030.db2.gz XNCSCBROGDHXDS-YJBOKZPZSA-N 2 0 316.489 3.562 20 0 DHADRP CC[C@@H](OCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000651908333 1023629857 /nfs/dbraw/zinc/62/98/57/1023629857.db2.gz BKIMONBZLUNTCL-HXUWFJFHSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)C[C@@H]1C ZINC001172368512 1033149558 /nfs/dbraw/zinc/14/95/58/1033149558.db2.gz ITPBBRJPWACPOL-ZIFCJYIRSA-N 2 0 300.490 3.847 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172402713 1033151546 /nfs/dbraw/zinc/15/15/46/1033151546.db2.gz WJSZKAYFFRDOSL-QGZVFWFLSA-N 2 0 306.469 3.986 20 0 DHADRP CCOCC[C@@H](C)[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172410990 1033156445 /nfs/dbraw/zinc/15/64/45/1033156445.db2.gz CSQYWGUZPIBSBW-ATZDWAIDSA-N 2 0 322.468 3.713 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348076 1023806489 /nfs/dbraw/zinc/80/64/89/1023806489.db2.gz TYGCDWQULWDKRY-HUHSQHJXSA-N 2 0 322.880 3.619 20 0 DHADRP Fc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966323 1023831522 /nfs/dbraw/zinc/83/15/22/1023831522.db2.gz GODOMZIJUYHHAC-BRSBDYLESA-N 2 0 314.448 3.509 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925740049 1023847527 /nfs/dbraw/zinc/84/75/27/1023847527.db2.gz GPQHODMTQCKFLW-LBPRGKRZSA-N 2 0 303.475 3.897 20 0 DHADRP C[C@H]1SCC[N@H+](CC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000788481033 1023892101 /nfs/dbraw/zinc/89/21/01/1023892101.db2.gz OWBTUKWRTAILBI-QAPCUYQASA-N 2 0 304.503 3.507 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788671756 1023922846 /nfs/dbraw/zinc/92/28/46/1023922846.db2.gz NOZRITJISWPATD-GDBMZVCRSA-N 2 0 321.896 3.680 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1N(C)C ZINC000538757949 1033173973 /nfs/dbraw/zinc/17/39/73/1033173973.db2.gz PWEBZSYXOICSHE-GOSISDBHSA-N 2 0 317.521 3.915 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1F ZINC000658358719 1023956446 /nfs/dbraw/zinc/95/64/46/1023956446.db2.gz XMRXHVVMORJVEZ-ZDUSSCGKSA-N 2 0 308.416 3.737 20 0 DHADRP Clc1cccc(SCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000662234140 1024010901 /nfs/dbraw/zinc/01/09/01/1024010901.db2.gz JAMPGRLVPLHUCL-UHFFFAOYSA-N 2 0 310.894 3.649 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001172400707 1033184052 /nfs/dbraw/zinc/18/40/52/1033184052.db2.gz NYLSJAATNXEEMP-GOSISDBHSA-N 2 0 318.505 3.856 20 0 DHADRP CC(C)c1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000662281266 1024059275 /nfs/dbraw/zinc/05/92/75/1024059275.db2.gz LMHPZXLIAXDVEG-UXHICEINSA-N 2 0 316.489 3.528 20 0 DHADRP CC(C)c1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000662281265 1024059933 /nfs/dbraw/zinc/05/99/33/1024059933.db2.gz LMHPZXLIAXDVEG-PMACEKPBSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291132 1024072258 /nfs/dbraw/zinc/07/22/58/1024072258.db2.gz BKOWUSNGAOPVGE-XJKSGUPXSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291586 1024075590 /nfs/dbraw/zinc/07/55/90/1024075590.db2.gz ISADZBFPYKAJCO-HIFRSBDPSA-N 2 0 308.416 3.737 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)CC2 ZINC000662296191 1024076281 /nfs/dbraw/zinc/07/62/81/1024076281.db2.gz YRZSMIRABOAYEU-APWZRJJASA-N 2 0 302.437 3.525 20 0 DHADRP C[C@H](c1ccc(F)cc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294508 1024078842 /nfs/dbraw/zinc/07/88/42/1024078842.db2.gz XEEDVLUWLIDSKG-UKRRQHHQSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876934460 1033186455 /nfs/dbraw/zinc/18/64/55/1033186455.db2.gz HSXPNOAQMRJTOF-MCIONIFRSA-N 2 0 307.309 3.528 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000268777710 1024158197 /nfs/dbraw/zinc/15/81/97/1024158197.db2.gz WHLRPLCGTUPONA-LJQANCHMSA-N 2 0 310.441 3.534 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000268808494 1024166221 /nfs/dbraw/zinc/16/62/21/1024166221.db2.gz AIZJPXZMCZAUEE-GFCCVEGCSA-N 2 0 304.356 3.578 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663345629 1024175301 /nfs/dbraw/zinc/17/53/01/1024175301.db2.gz MALZCWLQOPOAIJ-RDJZCZTQSA-N 2 0 304.453 3.641 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc2cccnc12 ZINC000663346922 1024177660 /nfs/dbraw/zinc/17/76/60/1024177660.db2.gz XRLBPSZZMOQHNG-GOSISDBHSA-N 2 0 323.484 3.755 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268883378 1024186318 /nfs/dbraw/zinc/18/63/18/1024186318.db2.gz FPMBPVYXBZMTFN-HNNXBMFYSA-N 2 0 302.462 3.632 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3c2cccc3OC)c1 ZINC000268925116 1024196379 /nfs/dbraw/zinc/19/63/79/1024196379.db2.gz RJZINFMZSGUMIK-HXUWFJFHSA-N 2 0 324.468 3.924 20 0 DHADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000346653627 1024234565 /nfs/dbraw/zinc/23/45/65/1024234565.db2.gz DYLLYADWLQNZSE-UHFFFAOYSA-N 2 0 324.468 3.683 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883164023 1024263648 /nfs/dbraw/zinc/26/36/48/1024263648.db2.gz SHQZNIWQYXKMHH-IBGZPJMESA-N 2 0 322.468 3.615 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000531689231 1024264778 /nfs/dbraw/zinc/26/47/78/1024264778.db2.gz TZOCJYYAPBWEQV-CYBMUJFWSA-N 2 0 316.367 3.722 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000531677154 1024267182 /nfs/dbraw/zinc/26/71/82/1024267182.db2.gz XLFNSCYIUOMAHA-YLJYHZDGSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183512 1024285635 /nfs/dbraw/zinc/28/56/35/1024285635.db2.gz SXSYIMCVNKDQMF-GFCCVEGCSA-N 2 0 311.267 3.571 20 0 DHADRP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000883233804 1024308310 /nfs/dbraw/zinc/30/83/10/1024308310.db2.gz PPOQAZIZOAVLRP-LPHOPBHVSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453089124 1024322938 /nfs/dbraw/zinc/32/29/38/1024322938.db2.gz QTYHYKKRYYWIDT-KRWDZBQOSA-N 2 0 303.494 3.503 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000453173078 1024382240 /nfs/dbraw/zinc/38/22/40/1024382240.db2.gz YNBAGMCLFNIPSW-BZSNNMDCSA-N 2 0 322.518 3.557 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccncc1 ZINC000453194146 1024392575 /nfs/dbraw/zinc/39/25/75/1024392575.db2.gz GOPYNGNWHGFGEA-WDYCEAGBSA-N 2 0 301.478 3.775 20 0 DHADRP C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464675 1024405239 /nfs/dbraw/zinc/40/52/39/1024405239.db2.gz FXDHHHIGBKKZFE-QAPCUYQASA-N 2 0 306.519 3.781 20 0 DHADRP CC(CC[NH+]1CC[C@@H](C(F)F)C1)CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000663464490 1024405641 /nfs/dbraw/zinc/40/56/41/1024405641.db2.gz ZGHYEFCRDLAQGS-ZIAGYGMSSA-N 2 0 324.406 3.577 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466458 1024405785 /nfs/dbraw/zinc/40/57/85/1024405785.db2.gz TZAAELXVVNEVMR-XLIONFOSSA-N 2 0 315.505 3.504 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467914 1024407828 /nfs/dbraw/zinc/40/78/28/1024407828.db2.gz ILFHQXBFEWDZOS-LPHOPBHVSA-N 2 0 318.480 3.858 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000663467107 1024408625 /nfs/dbraw/zinc/40/86/25/1024408625.db2.gz ZOXIAUUMHIRHLW-XOYOTBSWSA-N 2 0 318.530 3.952 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001172454724 1033209721 /nfs/dbraw/zinc/20/97/21/1033209721.db2.gz BSFGFTFABJRTPI-IEBWSBKVSA-N 2 0 306.494 3.720 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453247870 1024425264 /nfs/dbraw/zinc/42/52/64/1024425264.db2.gz WQOFMZUKPAVLFO-JCHJZTRSSA-N 2 0 304.453 3.767 20 0 DHADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C[C@@H]1c1ccccc1 ZINC000663472171 1024428273 /nfs/dbraw/zinc/42/82/73/1024428273.db2.gz ZFUIZPHYQUIAQP-AGKXRFJRSA-N 2 0 312.501 3.890 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883424463 1024434435 /nfs/dbraw/zinc/43/44/35/1024434435.db2.gz TWQWECCLYQQZON-OLPBJYBYSA-N 2 0 314.473 3.641 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172454981 1033211205 /nfs/dbraw/zinc/21/12/05/1033211205.db2.gz MYWZBOXTKVRHLX-GOSISDBHSA-N 2 0 318.505 3.823 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000663476608 1024439654 /nfs/dbraw/zinc/43/96/54/1024439654.db2.gz HDCOGNFDEDACEY-CRAIPNDOSA-N 2 0 306.469 3.956 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000453275663 1024449155 /nfs/dbraw/zinc/44/91/55/1024449155.db2.gz YXSCCMOONFHOMB-AFKBCAQJSA-N 2 0 300.490 3.889 20 0 DHADRP CC(C)OCC[C@@H](C)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172459788 1033213607 /nfs/dbraw/zinc/21/36/07/1033213607.db2.gz LXBQRACBUMEGED-QGZVFWFLSA-N 2 0 310.526 3.919 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)cn1 ZINC000271268688 1024480548 /nfs/dbraw/zinc/48/05/48/1024480548.db2.gz AFXZIBXLQHJUKX-BZUAXINKSA-N 2 0 307.457 3.629 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000453398653 1024496956 /nfs/dbraw/zinc/49/69/56/1024496956.db2.gz KSGQWSGKCYVVJU-HXUWFJFHSA-N 2 0 300.490 3.780 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453408734 1024503435 /nfs/dbraw/zinc/50/34/35/1024503435.db2.gz SUFMGYVBRLVISI-CQSZACIVSA-N 2 0 310.432 3.750 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCCO2 ZINC000453406936 1024504396 /nfs/dbraw/zinc/50/43/96/1024504396.db2.gz ROHDCKKVXADHEO-IBGZPJMESA-N 2 0 316.489 3.981 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000453409315 1024505070 /nfs/dbraw/zinc/50/50/70/1024505070.db2.gz GDNGLWWTGDXRDB-UZLBHIALSA-N 2 0 315.505 3.565 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000538879456 1033215781 /nfs/dbraw/zinc/21/57/81/1033215781.db2.gz VMYTUTVJAUSRKX-UHOSZYNNSA-N 2 0 310.526 3.560 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001167827513 1024514303 /nfs/dbraw/zinc/51/43/03/1024514303.db2.gz XBEHIXFFEIMKHH-IEBWSBKVSA-N 2 0 303.494 3.599 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102422637 1024534587 /nfs/dbraw/zinc/53/45/87/1024534587.db2.gz SNYZVZALXWXCIN-KRWDZBQOSA-N 2 0 314.473 3.707 20 0 DHADRP CC(C)COCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172467371 1033217885 /nfs/dbraw/zinc/21/78/85/1033217885.db2.gz QQBVBOCWGWHLGM-GOSISDBHSA-N 2 0 322.537 3.778 20 0 DHADRP Fc1ccc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536502 1024538615 /nfs/dbraw/zinc/53/86/15/1024538615.db2.gz ULZZIXDZNABTRE-MOPGFXCFSA-N 2 0 310.416 3.647 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000925793833 1024565958 /nfs/dbraw/zinc/56/59/58/1024565958.db2.gz BTFHBYMTCCDHFX-GQIGUUNPSA-N 2 0 309.457 3.645 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(F)(F)F)CC1 ZINC000532164906 1024567427 /nfs/dbraw/zinc/56/74/27/1024567427.db2.gz JVIGUANBCSZXNT-CQSZACIVSA-N 2 0 306.416 3.915 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000532192800 1024573498 /nfs/dbraw/zinc/57/34/98/1024573498.db2.gz QTNRAQLVRPFBKS-GJYPPUQNSA-N 2 0 318.480 3.956 20 0 DHADRP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000532235241 1024587762 /nfs/dbraw/zinc/58/77/62/1024587762.db2.gz SPNMIQTWTYHJMS-WOJBJXKFSA-N 2 0 316.489 3.678 20 0 DHADRP CCSCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244453 1024589204 /nfs/dbraw/zinc/58/92/04/1024589204.db2.gz NSVLTJMXQBMZCZ-RTBURBONSA-N 2 0 318.530 3.726 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001167835653 1024617590 /nfs/dbraw/zinc/61/75/90/1024617590.db2.gz SFVJJKQLSJVMGM-IAGOWNOFSA-N 2 0 308.510 3.721 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](Cc1ccccc1)CC(C)(C)O ZINC001167839659 1024628533 /nfs/dbraw/zinc/62/85/33/1024628533.db2.gz BAEKNSCZUXQGKA-GOSISDBHSA-N 2 0 320.521 3.770 20 0 DHADRP COCCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000282037804 1024629091 /nfs/dbraw/zinc/62/90/91/1024629091.db2.gz ULKCJOHHJKLRQP-VQIMIIECSA-N 2 0 322.468 3.615 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000648434892 1024635614 /nfs/dbraw/zinc/63/56/14/1024635614.db2.gz QWGQUXKVAKTEGT-DLBZAZTESA-N 2 0 300.490 3.718 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(c2cccnc2)CC1 ZINC001167842862 1024678199 /nfs/dbraw/zinc/67/81/99/1024678199.db2.gz ZJBHXAKGVMYTIS-KRWDZBQOSA-N 2 0 303.494 3.772 20 0 DHADRP CC[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CCO1 ZINC001170192261 1024686516 /nfs/dbraw/zinc/68/65/16/1024686516.db2.gz KCAFTVQPKYJFQT-HUUCEWRRSA-N 2 0 322.880 3.547 20 0 DHADRP CC[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CCO1 ZINC001170189969 1024686925 /nfs/dbraw/zinc/68/69/25/1024686925.db2.gz CNEBPBMCXJKLTE-SJORKVTESA-N 2 0 322.880 3.547 20 0 DHADRP CC[C@@H]1C[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170191523 1024687032 /nfs/dbraw/zinc/68/70/32/1024687032.db2.gz IHGORXOYSJTNKB-DSLXNQLJSA-N 2 0 308.510 3.849 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168160356 1024720078 /nfs/dbraw/zinc/72/00/78/1024720078.db2.gz VWGDYGTXMQFAFD-OAHLLOKOSA-N 2 0 308.897 3.981 20 0 DHADRP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000877080701 1033231054 /nfs/dbraw/zinc/23/10/54/1033231054.db2.gz MZJQBGQFXXUJTP-LBPRGKRZSA-N 2 0 305.293 3.567 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000666144226 1024729324 /nfs/dbraw/zinc/72/93/24/1024729324.db2.gz LCBQYWTUOZOHAV-OAHLLOKOSA-N 2 0 306.881 3.661 20 0 DHADRP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001170288325 1024735710 /nfs/dbraw/zinc/73/57/10/1024735710.db2.gz NCKGSVBVOFEKMR-OAHLLOKOSA-N 2 0 306.881 3.689 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001170387220 1024762237 /nfs/dbraw/zinc/76/22/37/1024762237.db2.gz RTOJYCKXYFLXNT-OALUTQOASA-N 2 0 318.505 3.692 20 0 DHADRP c1ccc([C@H]2C[C@@H]([NH2+]CCc3ccncc3)CCN2C2CC2)cc1 ZINC000877089028 1033237279 /nfs/dbraw/zinc/23/72/79/1033237279.db2.gz FGFANJBRHWSWBC-PZJWPPBQSA-N 2 0 321.468 3.582 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000162841969 1024900544 /nfs/dbraw/zinc/90/05/44/1024900544.db2.gz KMUPFGKPIIVQSE-FMKPAKJESA-N 2 0 310.507 3.597 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000793241771 1024959281 /nfs/dbraw/zinc/95/92/81/1024959281.db2.gz XPUMUWAIZVFYTM-MOPGFXCFSA-N 2 0 318.505 3.741 20 0 DHADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CC1CCC1)CC2 ZINC001202722045 1025059294 /nfs/dbraw/zinc/05/92/94/1025059294.db2.gz NFHLUXXZZNDWGZ-GOSISDBHSA-N 2 0 302.462 3.756 20 0 DHADRP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001172561316 1033256063 /nfs/dbraw/zinc/25/60/63/1033256063.db2.gz VFNKGTITIQKNLX-UYAOXDASSA-N 2 0 321.468 3.976 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000120959475 1025063533 /nfs/dbraw/zinc/06/35/33/1025063533.db2.gz QAOPQRIJALESNF-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000321656990 1025113919 /nfs/dbraw/zinc/11/39/19/1025113919.db2.gz RMUOHZYPWBFCJK-MRXNPFEDSA-N 2 0 316.489 3.754 20 0 DHADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000539063703 1033260347 /nfs/dbraw/zinc/26/03/47/1033260347.db2.gz SATDSZLBSHZHFW-VNTMZGSJSA-N 2 0 322.537 3.559 20 0 DHADRP CSC1(C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC[NH+](C)CC1 ZINC000353663282 1025182795 /nfs/dbraw/zinc/18/27/95/1025182795.db2.gz UIZGXFWBKSDYEW-HNNXBMFYSA-N 2 0 322.518 3.710 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353667625 1025186301 /nfs/dbraw/zinc/18/63/01/1025186301.db2.gz CNEYIYPPNCGVCV-RCCFBDPRSA-N 2 0 304.503 3.512 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424828 1025219741 /nfs/dbraw/zinc/21/97/41/1025219741.db2.gz GLWCNEMBRDDDTC-JQFCIGGWSA-N 2 0 324.896 3.878 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(SC)c(OC)c2)C[C@@H]1C ZINC000353751267 1025233459 /nfs/dbraw/zinc/23/34/59/1025233459.db2.gz XKZVWPSFXVHCHB-GOEBONIOSA-N 2 0 322.518 3.722 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924682772 1033268967 /nfs/dbraw/zinc/26/89/67/1033268967.db2.gz DKSXCMIIZNFWEL-PIKOESSRSA-N 2 0 322.537 3.539 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172574700 1033269923 /nfs/dbraw/zinc/26/99/23/1033269923.db2.gz CWJAGXHMSNQJEK-GFCCVEGCSA-N 2 0 318.839 3.999 20 0 DHADRP CSc1cccc(F)c1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353854278 1025269723 /nfs/dbraw/zinc/26/97/23/1025269723.db2.gz ITGLCIXYVVAVRL-WQVCFCJDSA-N 2 0 308.466 3.510 20 0 DHADRP CC(C)n1nccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000279900240 1025308987 /nfs/dbraw/zinc/30/89/87/1025308987.db2.gz LEWVEWSPXWEDDI-UHFFFAOYSA-N 2 0 314.477 3.594 20 0 DHADRP CC1CCC([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CC1 ZINC001168205932 1025320536 /nfs/dbraw/zinc/32/05/36/1025320536.db2.gz NJYGEBIIRKOHDO-UHFFFAOYSA-N 2 0 304.453 3.740 20 0 DHADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666638354 1025324513 /nfs/dbraw/zinc/32/45/13/1025324513.db2.gz DBIQCHSPAMUHFS-BQFCYCMXSA-N 2 0 302.462 3.610 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000354034836 1025332211 /nfs/dbraw/zinc/33/22/11/1025332211.db2.gz TYHGJODSVAKBDT-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000124356010 1025337764 /nfs/dbraw/zinc/33/77/64/1025337764.db2.gz YTLCTUKTUJAXJT-OLZOCXBDSA-N 2 0 312.379 3.840 20 0 DHADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c2ccccc12 ZINC000093089342 1025355951 /nfs/dbraw/zinc/35/59/51/1025355951.db2.gz VVUDFKUHPABLIT-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000123641412 1025391897 /nfs/dbraw/zinc/39/18/97/1025391897.db2.gz KGFNKIVKAQZLQO-UHFFFAOYSA-N 2 0 319.424 3.521 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)C[NH+]1CCCCC1 ZINC000885927129 1025407396 /nfs/dbraw/zinc/40/73/96/1025407396.db2.gz NLQLOSVCETWJQC-MSOLQXFVSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000885949250 1025415494 /nfs/dbraw/zinc/41/54/94/1025415494.db2.gz RNJDDHMVGBWLDV-UHFFFAOYSA-N 2 0 317.864 3.865 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000885969617 1025424837 /nfs/dbraw/zinc/42/48/37/1025424837.db2.gz YEUJNDXQHNDZKN-MOPGFXCFSA-N 2 0 310.526 3.970 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886043933 1025449900 /nfs/dbraw/zinc/44/99/00/1025449900.db2.gz MUPKICGLSWVJTR-DAWZGUTISA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886043932 1025450865 /nfs/dbraw/zinc/45/08/65/1025450865.db2.gz MUPKICGLSWVJTR-ABHNRTSZSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137224283 1025452906 /nfs/dbraw/zinc/45/29/06/1025452906.db2.gz BUSGRUCWABININ-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP CC[NH+]1CCC(N(C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000125240456 1025462108 /nfs/dbraw/zinc/46/21/08/1025462108.db2.gz WJIOBERWZSGQGS-UHFFFAOYSA-N 2 0 321.515 3.788 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(OC)cc1 ZINC000125827548 1025493271 /nfs/dbraw/zinc/49/32/71/1025493271.db2.gz VTPCHBFBEFTRGS-APWZRJJASA-N 2 0 304.478 3.856 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000245573462 1025521879 /nfs/dbraw/zinc/52/18/79/1025521879.db2.gz CWSMVFDCFFTJET-KFWWJZLASA-N 2 0 309.523 3.860 20 0 DHADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC[PH+](C(C)C)C(C)C)C1 ZINC001172610940 1033288356 /nfs/dbraw/zinc/28/83/56/1033288356.db2.gz WQGKPVAAPQPASK-LSDHHAIUSA-N 2 0 301.411 3.607 20 0 DHADRP C[C@H](CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)OCc1ccccc1 ZINC000354870398 1025531232 /nfs/dbraw/zinc/53/12/32/1025531232.db2.gz ZFUBOZQOXLPMPI-QUCCMNQESA-N 2 0 318.505 3.788 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886176593 1025546990 /nfs/dbraw/zinc/54/69/90/1025546990.db2.gz GWYSGAXSIKPKAK-IBGZPJMESA-N 2 0 322.537 3.968 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886177050 1025548183 /nfs/dbraw/zinc/54/81/83/1025548183.db2.gz SXJBLFYONOWLNA-ADKAHSJRSA-N 2 0 308.510 3.721 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000127955753 1025562177 /nfs/dbraw/zinc/56/21/77/1025562177.db2.gz XAAJEJAPLJCZNX-CUDHKJQZSA-N 2 0 315.505 3.850 20 0 DHADRP CCN(CCC[NH+](C)C)Cc1ccc2cccc(Cl)c2n1 ZINC001137227649 1025584054 /nfs/dbraw/zinc/58/40/54/1025584054.db2.gz BZVRJBWIZJLXTC-UHFFFAOYSA-N 2 0 305.853 3.662 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccns1 ZINC000860062300 1033293031 /nfs/dbraw/zinc/29/30/31/1033293031.db2.gz UONILBKNAMPULG-OAHLLOKOSA-N 2 0 315.486 3.980 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886491993 1025649900 /nfs/dbraw/zinc/64/99/00/1025649900.db2.gz ZCIXKFHZFMXASM-LRYGQEGESA-N 2 0 304.478 3.987 20 0 DHADRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1F ZINC000886497129 1025654249 /nfs/dbraw/zinc/65/42/49/1025654249.db2.gz UBDKHCMJVUCKGJ-UHFFFAOYSA-N 2 0 320.452 3.721 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000886524101 1025673216 /nfs/dbraw/zinc/67/32/16/1025673216.db2.gz CLHIFQSAXNTAGT-VDUSKEEQSA-N 2 0 314.473 3.766 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000886524100 1025674382 /nfs/dbraw/zinc/67/43/82/1025674382.db2.gz CLHIFQSAXNTAGT-RVSXGSNBSA-N 2 0 314.473 3.766 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000130976316 1025677371 /nfs/dbraw/zinc/67/73/71/1025677371.db2.gz FMTIHIUIOHSCMA-MJBXVCDLSA-N 2 0 317.502 3.861 20 0 DHADRP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000894061698 1025681336 /nfs/dbraw/zinc/68/13/36/1025681336.db2.gz QBSWYHNDPVGAJJ-MRXNPFEDSA-N 2 0 314.395 3.920 20 0 DHADRP COCCC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000886540946 1025686332 /nfs/dbraw/zinc/68/63/32/1025686332.db2.gz NFXNKIPUPXZTII-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP COC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000886548006 1025697396 /nfs/dbraw/zinc/69/73/96/1025697396.db2.gz WACZENLGUWNABZ-IOJLRTSASA-N 2 0 316.489 3.761 20 0 DHADRP C[C@H](CCO)C1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000886562260 1025711348 /nfs/dbraw/zinc/71/13/48/1025711348.db2.gz VABOFNDLUVCERY-LMDPOFIKSA-N 2 0 322.537 3.562 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000049554188 1025713730 /nfs/dbraw/zinc/71/37/30/1025713730.db2.gz WBLKIUHYGOSWPT-WFASDCNBSA-N 2 0 313.283 3.830 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000886615638 1025741449 /nfs/dbraw/zinc/74/14/49/1025741449.db2.gz KQVBCGTWOMZFCC-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccn1 ZINC000886634354 1025751814 /nfs/dbraw/zinc/75/18/14/1025751814.db2.gz BRIFCKIJZSRNOV-MUYFXNHWSA-N 2 0 301.478 3.572 20 0 DHADRP CC1(C)[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1(F)F ZINC000886638570 1025752349 /nfs/dbraw/zinc/75/23/49/1025752349.db2.gz XHJSAWSLUJUREG-BBBYJDLNSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H]1C[N@H+](CCc2c(Cl)cccc2Cl)CCC[C@H]1C[NH3+] ZINC001205981962 1025754176 /nfs/dbraw/zinc/75/41/76/1025754176.db2.gz KAKTYPWHTVFRSM-STQMWFEESA-N 2 0 315.288 3.843 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000886637614 1025755395 /nfs/dbraw/zinc/75/53/95/1025755395.db2.gz ASCQRIHJIWGHPK-IJAXVFOYSA-N 2 0 314.473 3.552 20 0 DHADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886646670 1025757883 /nfs/dbraw/zinc/75/78/83/1025757883.db2.gz PUDQDLKJJBUMBY-SMLCLMEVSA-N 2 0 324.390 3.580 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806125490 1025792935 /nfs/dbraw/zinc/79/29/35/1025792935.db2.gz ALZWFHXKFCJANI-UKRRQHHQSA-N 2 0 309.885 3.822 20 0 DHADRP CCSCC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000355734570 1025821988 /nfs/dbraw/zinc/82/19/88/1025821988.db2.gz NAIZPSJIVWHOHG-MRXNPFEDSA-N 2 0 306.519 3.761 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+]([C@@H](CCOC)c2ccccc2)CC1 ZINC000886716387 1025827892 /nfs/dbraw/zinc/82/78/92/1025827892.db2.gz XNKLMQCWOYUVPE-IBGZPJMESA-N 2 0 316.489 3.715 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000886719886 1025829200 /nfs/dbraw/zinc/82/92/00/1025829200.db2.gz KUERHLRZBOTUDJ-HNNXBMFYSA-N 2 0 300.437 3.762 20 0 DHADRP NC1(c2ccccc2C(F)(F)F)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917249 1025924178 /nfs/dbraw/zinc/92/41/78/1025924178.db2.gz LJWUGNCGUYGDJI-BTTYYORXSA-N 2 0 324.390 3.754 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000248886244 1026011011 /nfs/dbraw/zinc/01/10/11/1026011011.db2.gz MFZBUUCRCIUZPL-YLJYHZDGSA-N 2 0 314.473 3.701 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(SC)CCC1 ZINC000356301376 1026016438 /nfs/dbraw/zinc/01/64/38/1026016438.db2.gz MHDHNCPBWAOWLN-UHFFFAOYSA-N 2 0 306.519 3.856 20 0 DHADRP C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237624433 1026016925 /nfs/dbraw/zinc/01/69/25/1026016925.db2.gz VDOYQGAACPHYQC-PDOICOKGSA-N 2 0 316.489 3.574 20 0 DHADRP COCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290158826 1026122192 /nfs/dbraw/zinc/12/21/92/1026122192.db2.gz LUCCKZRXQPQIGT-UYAOXDASSA-N 2 0 318.505 3.693 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(O)cc3)cc2)CC1 ZINC000236635487 1026160288 /nfs/dbraw/zinc/16/02/88/1026160288.db2.gz YEBDZUOWQAFAMR-UHFFFAOYSA-N 2 0 324.468 3.914 20 0 DHADRP Cc1ccncc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000357010731 1026273361 /nfs/dbraw/zinc/27/33/61/1026273361.db2.gz MFRVCEDSZKIAGD-UHFFFAOYSA-N 2 0 324.472 3.524 20 0 DHADRP CCCCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808694488 1026350514 /nfs/dbraw/zinc/35/05/14/1026350514.db2.gz DIJPGPIQFVCRJD-PKOBYXMFSA-N 2 0 323.569 3.740 20 0 DHADRP CCCCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C(C)(C)C ZINC000808676279 1026352691 /nfs/dbraw/zinc/35/26/91/1026352691.db2.gz JXRMURDXAGKWGM-MSOLQXFVSA-N 2 0 311.558 3.597 20 0 DHADRP Cc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000513488556 1026521267 /nfs/dbraw/zinc/52/12/67/1026521267.db2.gz XGCJGTUENMGUTE-UYAOXDASSA-N 2 0 323.484 3.780 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cncs2)C[N@@H+]1Cc1ccccc1 ZINC000513544701 1026537585 /nfs/dbraw/zinc/53/75/85/1026537585.db2.gz LOBSKGSOCQEWQY-WBVHZDCISA-N 2 0 315.486 3.533 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(COC)cs2)CC1 ZINC000667501309 1026545304 /nfs/dbraw/zinc/54/53/04/1026545304.db2.gz UGCCLTNEUCJOFU-UHFFFAOYSA-N 2 0 324.534 3.838 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000513656535 1026551561 /nfs/dbraw/zinc/55/15/61/1026551561.db2.gz UVXAFUJZCYACAO-HKBOAZHASA-N 2 0 324.468 3.681 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000513679601 1026556957 /nfs/dbraw/zinc/55/69/57/1026556957.db2.gz YGQQPNCVAWQQGJ-ACRUOGEOSA-N 2 0 308.469 3.845 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000809738614 1026608926 /nfs/dbraw/zinc/60/89/26/1026608926.db2.gz BQTFHPUAIBVHII-UHFFFAOYSA-N 2 0 319.452 3.928 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2scnc2C2CC2)cc1 ZINC000809737288 1026609500 /nfs/dbraw/zinc/60/95/00/1026609500.db2.gz FLQXYZKYBVFKTA-UHFFFAOYSA-N 2 0 315.486 3.714 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nccc3ccccc32)cc1 ZINC000809738907 1026610832 /nfs/dbraw/zinc/61/08/32/1026610832.db2.gz OTMLNAOSDIQAKL-UHFFFAOYSA-N 2 0 319.452 3.928 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCC=CO2)CC1)CC(C)C ZINC000809756148 1026617750 /nfs/dbraw/zinc/61/77/50/1026617750.db2.gz QDAPLMMSCMQAOO-LJQANCHMSA-N 2 0 308.510 3.759 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000280724863 1026701120 /nfs/dbraw/zinc/70/11/20/1026701120.db2.gz CMDLXPZVIIBPGV-YWZLYKJASA-N 2 0 323.484 3.928 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000513717468 1026786750 /nfs/dbraw/zinc/78/67/50/1026786750.db2.gz OYQNRROYDRBEMA-AWEZNQCLSA-N 2 0 310.432 3.748 20 0 DHADRP Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420229174 1026791190 /nfs/dbraw/zinc/79/11/90/1026791190.db2.gz NAORDQPYCFFIBO-GOSISDBHSA-N 2 0 315.848 3.695 20 0 DHADRP C[C@@H]1SCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000420306604 1026798991 /nfs/dbraw/zinc/79/89/91/1026798991.db2.gz QMMKWAJSJZABST-LZLYRXPVSA-N 2 0 304.503 3.555 20 0 DHADRP Fc1cccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000420311911 1026799657 /nfs/dbraw/zinc/79/96/57/1026799657.db2.gz WHAYLFZUPQROEO-QGZVFWFLSA-N 2 0 304.453 3.612 20 0 DHADRP Fc1cccc(F)c1C[N@H+](CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420310503 1026800136 /nfs/dbraw/zinc/80/01/36/1026800136.db2.gz VCLHBEMDVKQTHU-CQSZACIVSA-N 2 0 308.416 3.709 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000420315107 1026800407 /nfs/dbraw/zinc/80/04/07/1026800407.db2.gz WJUONSUFQFUXOR-UHFFFAOYSA-N 2 0 324.896 3.949 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000420319967 1026803246 /nfs/dbraw/zinc/80/32/46/1026803246.db2.gz PSVZASNVOGAKOO-INIZCTEOSA-N 2 0 318.848 3.523 20 0 DHADRP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000420317050 1026803454 /nfs/dbraw/zinc/80/34/54/1026803454.db2.gz UKRSWDOKMYDBHE-HNNXBMFYSA-N 2 0 310.869 3.701 20 0 DHADRP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320358 1026803486 /nfs/dbraw/zinc/80/34/86/1026803486.db2.gz BJYFQJUDAVAAJQ-QFBILLFUSA-N 2 0 316.489 3.558 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420328297 1026805306 /nfs/dbraw/zinc/80/53/06/1026805306.db2.gz ZCNPVXVQABZEEM-APWZRJJASA-N 2 0 302.462 3.612 20 0 DHADRP c1ccc2cc(OCCC[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2c1 ZINC000420330452 1026805675 /nfs/dbraw/zinc/80/56/75/1026805675.db2.gz ICFHSFYRLWTBPV-BGYRXZFFSA-N 2 0 324.468 3.540 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1 ZINC000420328377 1026805994 /nfs/dbraw/zinc/80/59/94/1026805994.db2.gz ZGPBULHGURVEDE-RXVVDRJESA-N 2 0 324.468 3.883 20 0 DHADRP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420326758 1026806549 /nfs/dbraw/zinc/80/65/49/1026806549.db2.gz XPHBDTCEFIEGIB-NEPJUHHUSA-N 2 0 301.261 3.986 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420367057 1026809215 /nfs/dbraw/zinc/80/92/15/1026809215.db2.gz GMMDDJSTZOOMED-HUUCEWRRSA-N 2 0 309.523 3.957 20 0 DHADRP C[NH2+]CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000420377550 1026810036 /nfs/dbraw/zinc/81/00/36/1026810036.db2.gz SLKIWIRFZMYGOY-SFTDATJTSA-N 2 0 324.468 3.835 20 0 DHADRP CC(C)C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCc2cccnc21 ZINC000420378816 1026812782 /nfs/dbraw/zinc/81/27/82/1026812782.db2.gz UQELVDMQDSKSLN-IBGZPJMESA-N 2 0 315.505 3.807 20 0 DHADRP Cc1ccc([C@H](C)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000628352564 1026816290 /nfs/dbraw/zinc/81/62/90/1026816290.db2.gz MVRIDLMUEGVUAE-QGZVFWFLSA-N 2 0 300.490 3.810 20 0 DHADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000261831873 1026901971 /nfs/dbraw/zinc/90/19/71/1026901971.db2.gz BOQTUKGTLCIMRC-OAHLLOKOSA-N 2 0 315.486 3.679 20 0 DHADRP C[N@@H+](Cc1cccc(OC2CCCC2)c1)CC1CC[NH+](C)CC1 ZINC000513742560 1026934754 /nfs/dbraw/zinc/93/47/54/1026934754.db2.gz YSQXZPKHHZSAGM-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421326353 1026953952 /nfs/dbraw/zinc/95/39/52/1026953952.db2.gz NRMZKPNLHNTRJL-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP CCc1oc2ccccc2c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421368021 1026966555 /nfs/dbraw/zinc/96/65/55/1026966555.db2.gz FPRUIZWNZXYWCZ-UHFFFAOYSA-N 2 0 300.446 3.958 20 0 DHADRP COc1cc2ccccc2cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370305 1026967190 /nfs/dbraw/zinc/96/71/90/1026967190.db2.gz IHZBZEMPZWAQOL-UHFFFAOYSA-N 2 0 312.457 3.811 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc(C)n1 ZINC000421373714 1026967360 /nfs/dbraw/zinc/96/73/60/1026967360.db2.gz GWGATDMTMVFHFW-GHTZIAJQSA-N 2 0 323.484 3.841 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421371568 1026968566 /nfs/dbraw/zinc/96/85/66/1026968566.db2.gz LAVCRGFFLGHVDU-OOHWJJMZSA-N 2 0 306.519 3.802 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000421387704 1026976292 /nfs/dbraw/zinc/97/62/92/1026976292.db2.gz PIWNGHDVMNGEHA-RBUKOAKNSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000421823217 1027056405 /nfs/dbraw/zinc/05/64/05/1027056405.db2.gz YWLKSPSAZOHDQH-ZDUSSCGKSA-N 2 0 324.871 3.874 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccncc1Cl ZINC000421821278 1027057398 /nfs/dbraw/zinc/05/73/98/1027057398.db2.gz QMXNSPBJTAFSRW-CYBMUJFWSA-N 2 0 303.837 3.647 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421827707 1027058748 /nfs/dbraw/zinc/05/87/48/1027058748.db2.gz ZCVVRVGQVFINCN-IBGZPJMESA-N 2 0 322.468 3.853 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C2(OC)CCCC2)c1 ZINC000421824702 1027059008 /nfs/dbraw/zinc/05/90/08/1027059008.db2.gz JXTMNZFDHGMERS-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000561955064 1027141449 /nfs/dbraw/zinc/14/14/49/1027141449.db2.gz OVOANQDZNMILJP-UYAOXDASSA-N 2 0 302.506 3.823 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)c1cccc(Cl)c1 ZINC000561982346 1027159668 /nfs/dbraw/zinc/15/96/68/1027159668.db2.gz MNCHLBZWUNTZKZ-QGPMSJSTSA-N 2 0 306.881 3.860 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659468 1027172716 /nfs/dbraw/zinc/17/27/16/1027172716.db2.gz PQTFEGBJWQWCJH-QGZVFWFLSA-N 2 0 322.443 3.806 20 0 DHADRP COc1nc2ccccc2cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000572344236 1027193695 /nfs/dbraw/zinc/19/36/95/1027193695.db2.gz SJQNYDGJMDYWTK-AWEZNQCLSA-N 2 0 321.424 3.553 20 0 DHADRP COCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)c1ccccc1 ZINC000573257527 1027275748 /nfs/dbraw/zinc/27/57/48/1027275748.db2.gz GNHYJVMIJAZKBT-QGZVFWFLSA-N 2 0 324.468 3.542 20 0 DHADRP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422700805 1027296539 /nfs/dbraw/zinc/29/65/39/1027296539.db2.gz CIZZSJNZVVOYSH-LDQXTDLNSA-N 2 0 322.452 3.902 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422712830 1027300300 /nfs/dbraw/zinc/30/03/00/1027300300.db2.gz OOKCTPMFXKAWAS-SFHVURJKSA-N 3 0 317.521 3.670 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422717429 1027302976 /nfs/dbraw/zinc/30/29/76/1027302976.db2.gz OLZHRTKVXUIRGW-RBUKOAKNSA-N 3 0 309.542 3.543 20 0 DHADRP C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)[C@H]1CCC[NH2+]C1 ZINC000422720352 1027304441 /nfs/dbraw/zinc/30/44/41/1027304441.db2.gz SISXORQNQIASFV-HUBLWGQQSA-N 2 0 310.894 3.855 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000422759341 1027307067 /nfs/dbraw/zinc/30/70/67/1027307067.db2.gz JSVIOZRDQWNXSR-QGZVFWFLSA-N 2 0 300.471 3.682 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)c21 ZINC000422723201 1027307776 /nfs/dbraw/zinc/30/77/76/1027307776.db2.gz ZVWGIVURZAOIHK-PKOBYXMFSA-N 2 0 305.425 3.753 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422725011 1027308107 /nfs/dbraw/zinc/30/81/07/1027308107.db2.gz XHEWXFTZXKHTCT-YJJAZYOBSA-N 2 0 316.489 3.668 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCCc2cccc(C(F)(F)F)c2)CC1 ZINC000422723911 1027308245 /nfs/dbraw/zinc/30/82/45/1027308245.db2.gz SWIAYKSVHQKEGV-UHFFFAOYSA-N 2 0 314.395 3.745 20 0 DHADRP Cc1c2ccccc2oc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422748776 1027309002 /nfs/dbraw/zinc/30/90/02/1027309002.db2.gz WBQFWZMKZIBYRQ-CYBMUJFWSA-N 2 0 309.413 3.754 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H](C)CCCC[NH3+])c2ccccn2)cc1 ZINC000422746353 1027309493 /nfs/dbraw/zinc/30/94/93/1027309493.db2.gz NTKHDPHFDIITOK-PXNSSMCTSA-N 2 0 311.473 3.781 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000422739592 1027310642 /nfs/dbraw/zinc/31/06/42/1027310642.db2.gz ADTBAAXEBWWEKS-IRXDYDNUSA-N 2 0 323.550 3.628 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000422752089 1027311760 /nfs/dbraw/zinc/31/17/60/1027311760.db2.gz GVZSCSMJORSNTR-ZOBUZTSGSA-N 2 0 320.477 3.523 20 0 DHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422754856 1027312832 /nfs/dbraw/zinc/31/28/32/1027312832.db2.gz GGMZNSWVLAAXHF-XFKAJCMBSA-N 2 0 302.462 3.562 20 0 DHADRP Clc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422772187 1027314741 /nfs/dbraw/zinc/31/47/41/1027314741.db2.gz RVAGQGGMVYECHQ-BBWFWOEESA-N 2 0 324.921 3.942 20 0 DHADRP Clc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422772189 1027316130 /nfs/dbraw/zinc/31/61/30/1027316130.db2.gz RVAGQGGMVYECHQ-GVDBMIGSSA-N 2 0 324.921 3.942 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)c[nH]c21 ZINC000422782737 1027317408 /nfs/dbraw/zinc/31/74/08/1027317408.db2.gz MBCYNDAHFOORPP-AWEZNQCLSA-N 2 0 322.456 3.532 20 0 DHADRP c1ccc2nc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422777262 1027319134 /nfs/dbraw/zinc/31/91/34/1027319134.db2.gz FFSWUTQTVRYVEF-SESVDKBCSA-N 2 0 323.484 3.678 20 0 DHADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422764790 1027321232 /nfs/dbraw/zinc/32/12/32/1027321232.db2.gz QIGWNWRJQTVJQD-QWHCGFSZSA-N 2 0 318.383 3.580 20 0 DHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422785323 1027322435 /nfs/dbraw/zinc/32/24/35/1027322435.db2.gz QVDPVKVGJOVGBX-LSDHHAIUSA-N 2 0 310.441 3.621 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc2)cs1 ZINC000422800914 1027325616 /nfs/dbraw/zinc/32/56/16/1027325616.db2.gz DFWAGJFIOGNPPY-XQQFMLRXSA-N 2 0 303.475 3.895 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422803938 1027325703 /nfs/dbraw/zinc/32/57/03/1027325703.db2.gz DOHTYCVHDYCMPM-TUFLPTIASA-N 2 0 322.452 3.950 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790991 1027332679 /nfs/dbraw/zinc/33/26/79/1027332679.db2.gz CSHLVFXQBCSDFQ-QKNQBKEWSA-N 2 0 320.436 3.519 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000422833364 1027334405 /nfs/dbraw/zinc/33/44/05/1027334405.db2.gz GOIQYGOEJXCRDK-HBMCJLEFSA-N 2 0 308.469 3.730 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000422833365 1027336237 /nfs/dbraw/zinc/33/62/37/1027336237.db2.gz GOIQYGOEJXCRDK-PCCBWWKXSA-N 2 0 308.469 3.730 20 0 DHADRP Cc1ccc(SC2(C[NH2+][C@H]3CCC[C@@H]3[NH3+])CCCC2)cc1 ZINC000422837999 1027338088 /nfs/dbraw/zinc/33/80/88/1027338088.db2.gz NLKXHZCNINOJJK-IRXDYDNUSA-N 2 0 304.503 3.869 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924958208 1027339942 /nfs/dbraw/zinc/33/99/42/1027339942.db2.gz CWHQIIIFXALOOI-IRXDYDNUSA-N 2 0 318.505 3.685 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422857298 1027342136 /nfs/dbraw/zinc/34/21/36/1027342136.db2.gz GSFLJMYLBRRNBN-FUHWJXTLSA-N 2 0 304.478 3.904 20 0 DHADRP [NH3+]CC1CCC([NH2+]CC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000422878213 1027346535 /nfs/dbraw/zinc/34/65/35/1027346535.db2.gz JNMPGVVPAJOXHI-UHFFFAOYSA-N 2 0 304.453 3.745 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422885205 1027349211 /nfs/dbraw/zinc/34/92/11/1027349211.db2.gz GJYCRBIXPNCBNV-KSSFIOAISA-N 2 0 317.864 3.932 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422885060 1027351344 /nfs/dbraw/zinc/35/13/44/1027351344.db2.gz TWPZNANUNNSJIF-UWJYYQICSA-N 2 0 324.468 3.743 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422910299 1027358592 /nfs/dbraw/zinc/35/85/92/1027358592.db2.gz QGDWCQWYZJRYJL-WFASDCNBSA-N 2 0 314.395 3.700 20 0 DHADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422923153 1027360802 /nfs/dbraw/zinc/36/08/02/1027360802.db2.gz RHBTWCXSLFCIAV-IPMKNSEASA-N 2 0 312.457 3.876 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1Oc2ccccc2[C@H]1C ZINC000422922253 1027361355 /nfs/dbraw/zinc/36/13/55/1027361355.db2.gz SIPSWSXQTHQWQV-JFYDQMMZSA-N 2 0 308.425 3.674 20 0 DHADRP C[C@@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1C[NH2+]C1 ZINC000422936167 1027365804 /nfs/dbraw/zinc/36/58/04/1027365804.db2.gz FAXBFDZSNKRJPJ-KUHUBIRLSA-N 2 0 314.860 3.821 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccc(C)cc2)cc1 ZINC000422935076 1027365955 /nfs/dbraw/zinc/36/59/55/1027365955.db2.gz KLQZJAFVJLCOOI-GQIGUUNPSA-N 2 0 312.457 3.808 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422942263 1027368071 /nfs/dbraw/zinc/36/80/71/1027368071.db2.gz WHUAVANGOLQRMV-XQQFMLRXSA-N 2 0 303.475 3.895 20 0 DHADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422940647 1027368186 /nfs/dbraw/zinc/36/81/86/1027368186.db2.gz HIMUXEUCYZZBJQ-RTBURBONSA-N 2 0 310.441 3.707 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000422937785 1027369210 /nfs/dbraw/zinc/36/92/10/1027369210.db2.gz OVCIHDVGQQSPHF-MAUKXSAKSA-N 2 0 316.420 3.663 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422942262 1027369336 /nfs/dbraw/zinc/36/93/36/1027369336.db2.gz WHUAVANGOLQRMV-UPJWGTAASA-N 2 0 303.475 3.895 20 0 DHADRP CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917451 1027371987 /nfs/dbraw/zinc/37/19/87/1027371987.db2.gz DXJCYLDVWVWHIC-RWMBFGLXSA-N 2 0 318.383 3.578 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422964781 1027373047 /nfs/dbraw/zinc/37/30/47/1027373047.db2.gz JLHLHOUOLNIVRD-KRWDZBQOSA-N 2 0 323.484 3.864 20 0 DHADRP CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917449 1027373750 /nfs/dbraw/zinc/37/37/50/1027373750.db2.gz DXJCYLDVWVWHIC-FRRDWIJNSA-N 2 0 318.383 3.578 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422921773 1027373875 /nfs/dbraw/zinc/37/38/75/1027373875.db2.gz QXQWHDOHDNQMDW-OLZOCXBDSA-N 2 0 301.409 3.708 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OCC(C)C ZINC000422945345 1027375247 /nfs/dbraw/zinc/37/52/47/1027375247.db2.gz UEFABTVUUGOJDL-ZNMIVQPWSA-N 2 0 308.466 3.506 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2c1cccc2Br ZINC000422955625 1027379205 /nfs/dbraw/zinc/37/92/05/1027379205.db2.gz JUVUJIDDNRLWHK-IAQYHMDHSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000422955371 1027379540 /nfs/dbraw/zinc/37/95/40/1027379540.db2.gz JCIVLXGNYBXMSX-LRVUVFPRSA-N 2 0 301.459 3.731 20 0 DHADRP CCCCC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422951518 1027380094 /nfs/dbraw/zinc/38/00/94/1027380094.db2.gz YVZNTTFJETUOGW-WFAGLZIHSA-N 2 0 322.537 3.730 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000422991912 1027382930 /nfs/dbraw/zinc/38/29/30/1027382930.db2.gz QLFANPLPTPCCBN-WFASDCNBSA-N 2 0 300.393 3.846 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422981479 1027385457 /nfs/dbraw/zinc/38/54/57/1027385457.db2.gz OHXMTGXDWKRVJZ-IHPCNDPISA-N 2 0 316.489 3.578 20 0 DHADRP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000839 1027386426 /nfs/dbraw/zinc/38/64/26/1027386426.db2.gz VTJFWKPCAPHTHH-OZEPZQORSA-N 2 0 314.473 3.558 20 0 DHADRP C(=C\c1ccccc1)\C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983553 1027387508 /nfs/dbraw/zinc/38/75/08/1027387508.db2.gz ZXKUKINPGWHDFY-XCGYYHPWSA-N 2 0 320.436 3.545 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423008611 1027389358 /nfs/dbraw/zinc/38/93/58/1027389358.db2.gz ARELBFXBFWVDOI-CVEARBPZSA-N 2 0 310.869 3.531 20 0 DHADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423013891 1027389695 /nfs/dbraw/zinc/38/96/95/1027389695.db2.gz NSRHMHUMCMHNHH-KPOBHBOGSA-N 2 0 310.441 3.608 20 0 DHADRP Fc1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423045585 1027400744 /nfs/dbraw/zinc/40/07/44/1027400744.db2.gz CHCMEOFSTBTVIU-ATZDWAIDSA-N 2 0 322.443 3.798 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170686379 1027404039 /nfs/dbraw/zinc/40/40/39/1027404039.db2.gz YYSQVGBPAVQZKQ-QWFMPGPPSA-N 2 0 322.443 3.532 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423052134 1027407433 /nfs/dbraw/zinc/40/74/33/1027407433.db2.gz PUSGZPDABUUPID-QZTJIDSGSA-N 2 0 310.485 3.803 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423053478 1027408573 /nfs/dbraw/zinc/40/85/73/1027408573.db2.gz SMKLIBIPEXMMFY-YWZLYKJASA-N 2 0 322.452 3.832 20 0 DHADRP C[C@H]([NH2+]CC1(c2c(Cl)cccc2Cl)CCC1)C1C[NH2+]C1 ZINC000423087696 1027411621 /nfs/dbraw/zinc/41/16/21/1027411621.db2.gz OQOLGRKCRDNIDA-NSHDSACASA-N 2 0 313.272 3.613 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423101166 1027418072 /nfs/dbraw/zinc/41/80/72/1027418072.db2.gz COLBPOBTIBDFIT-GUDVDZBRSA-N 2 0 318.530 3.950 20 0 DHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423103087 1027418596 /nfs/dbraw/zinc/41/85/96/1027418596.db2.gz XNFHGXMKLRBDCR-RXABAKJHSA-N 2 0 302.437 3.582 20 0 DHADRP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423128000 1027421407 /nfs/dbraw/zinc/42/14/07/1027421407.db2.gz CTVQPVILNUTEHP-YESZJQIVSA-N 2 0 308.416 3.809 20 0 DHADRP [NH3+]CC1CCC([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000423120380 1027422342 /nfs/dbraw/zinc/42/23/42/1027422342.db2.gz GGDMGWJXFGADKC-PCKAHOCUSA-N 2 0 314.395 3.515 20 0 DHADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423127692 1027422484 /nfs/dbraw/zinc/42/24/84/1027422484.db2.gz JXBDQAFRSGBGPF-QQTQMKHKSA-N 2 0 314.473 3.801 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423104775 1027425426 /nfs/dbraw/zinc/42/54/26/1027425426.db2.gz YOXITRZPRINQRU-GMRIPVOYSA-N 2 0 310.844 3.917 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000423128678 1027425700 /nfs/dbraw/zinc/42/57/00/1027425700.db2.gz WENPWUARWOXWDO-TZIWHRDSSA-N 2 0 324.468 3.711 20 0 DHADRP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423112982 1027428748 /nfs/dbraw/zinc/42/87/48/1027428748.db2.gz XXCZVQXNZKUGNG-JSGCOSHPSA-N 2 0 315.486 3.982 20 0 DHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423145021 1027429358 /nfs/dbraw/zinc/42/93/58/1027429358.db2.gz IQVYRMSWQHWNMX-DZOHQFGASA-N 2 0 316.514 3.776 20 0 DHADRP COc1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1Cl ZINC000423140487 1027434365 /nfs/dbraw/zinc/43/43/65/1027434365.db2.gz YQQLVHPRWSYWAK-DLBZAZTESA-N 2 0 316.832 3.626 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423136177 1027435124 /nfs/dbraw/zinc/43/51/24/1027435124.db2.gz USZPLYYEXVBILC-ORYQWCPZSA-N 2 0 308.469 3.728 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC000423175774 1027440652 /nfs/dbraw/zinc/44/06/52/1027440652.db2.gz BHURXPCUTPJIFZ-CQSZACIVSA-N 2 0 310.869 3.538 20 0 DHADRP CCn1ccnc1[C@H](C)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000295824011 1027446533 /nfs/dbraw/zinc/44/65/33/1027446533.db2.gz DMDOJJFDRLGWDK-INIZCTEOSA-N 2 0 314.477 3.596 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000423212932 1027452720 /nfs/dbraw/zinc/45/27/20/1027452720.db2.gz JGRNSVIHRDTKGE-TVPLGVNVSA-N 2 0 314.473 3.639 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423234779 1027456519 /nfs/dbraw/zinc/45/65/19/1027456519.db2.gz QFGPMOWHPLILNF-PIMMBPRGSA-N 2 0 316.367 3.896 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423205439 1027456823 /nfs/dbraw/zinc/45/68/23/1027456823.db2.gz VPWJMEMOLBIPAJ-AWEZNQCLSA-N 2 0 319.449 3.526 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423240596 1027460359 /nfs/dbraw/zinc/46/03/59/1027460359.db2.gz CKIRBSFZNZFRQS-SWLSCSKDSA-N 2 0 316.367 3.626 20 0 DHADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CCC([NH3+])CC1)CC2 ZINC000423230398 1027466108 /nfs/dbraw/zinc/46/61/08/1027466108.db2.gz JEJKZCKNCMHSOH-YMAMQOFZSA-N 2 0 323.278 3.604 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)sc1Br ZINC000423231057 1027468870 /nfs/dbraw/zinc/46/88/70/1027468870.db2.gz KNVCDFCYAGFCTM-KPPDAEKUSA-N 2 0 317.296 3.740 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCS2 ZINC000423261018 1027469306 /nfs/dbraw/zinc/46/93/06/1027469306.db2.gz RHEMZYBOMVNJCC-IUODEOHRSA-N 2 0 310.894 3.856 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000423252103 1027474598 /nfs/dbraw/zinc/47/45/98/1027474598.db2.gz TXMVLFNBBQKNIS-MSOLQXFVSA-N 2 0 308.469 3.796 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423246834 1027475959 /nfs/dbraw/zinc/47/59/59/1027475959.db2.gz KIDXWPYSHWYBDL-QZTJIDSGSA-N 2 0 324.468 3.916 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423255328 1027478975 /nfs/dbraw/zinc/47/89/75/1027478975.db2.gz BRIBDZFSRUVMIO-CZUORRHYSA-N 2 0 308.853 3.533 20 0 DHADRP Cc1c([C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)cnn1C(C)(C)C ZINC000423258308 1027479421 /nfs/dbraw/zinc/47/94/21/1027479421.db2.gz BGOXTLPZCMHICV-DYVFJYSZSA-N 2 0 306.498 3.505 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@H](CN)C2CCCCC2)cc1OC ZINC000423261471 1027479778 /nfs/dbraw/zinc/47/97/78/1027479778.db2.gz JVDJTYGSOBNARI-WMLDXEAASA-N 2 0 320.477 3.570 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cccc(Br)c21 ZINC000423253161 1027480123 /nfs/dbraw/zinc/48/01/23/1027480123.db2.gz VLJHPYVEUJWZJV-JMSVASOKSA-N 2 0 323.278 3.587 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)cs1 ZINC000423254552 1027480223 /nfs/dbraw/zinc/48/02/23/1027480223.db2.gz YLSKGHBYNGNHNC-AAEUAGOBSA-N 2 0 321.515 3.830 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423293594 1027486801 /nfs/dbraw/zinc/48/68/01/1027486801.db2.gz AGJAAGPUBDTDOH-CHWSQXEVSA-N 2 0 303.475 3.672 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1OC(F)F ZINC000423268400 1027489978 /nfs/dbraw/zinc/48/99/78/1027489978.db2.gz DNNPRSKMHIOPOL-MISXGVKJSA-N 2 0 316.367 3.595 20 0 DHADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423317204 1027499182 /nfs/dbraw/zinc/49/91/82/1027499182.db2.gz AMBGVEHCCUTASG-QGZVFWFLSA-N 2 0 312.457 3.964 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294585 1027499284 /nfs/dbraw/zinc/49/92/84/1027499284.db2.gz UXEYCPMGOQPPFY-VLIAUNLRSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956317 1027501489 /nfs/dbraw/zinc/50/14/89/1027501489.db2.gz MQSYMPXZYZMROT-DZRCSXTASA-N 2 0 302.437 3.664 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C2CC2)c1 ZINC000423293861 1027503176 /nfs/dbraw/zinc/50/31/76/1027503176.db2.gz SFZLGNLIWRMZOE-YCRPNKLZSA-N 2 0 324.468 3.826 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CCCC[NH3+])c1ccccc1Cl ZINC000423323487 1027506815 /nfs/dbraw/zinc/50/68/15/1027506815.db2.gz JNFOPGFKNZBEOG-GOSISDBHSA-N 2 0 318.848 3.767 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CCS2 ZINC000423339475 1027513216 /nfs/dbraw/zinc/51/32/16/1027513216.db2.gz VEPKZKHSAIJTMW-INIZCTEOSA-N 2 0 304.503 3.820 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423334187 1027515176 /nfs/dbraw/zinc/51/51/76/1027515176.db2.gz FPPSZMHXGIPWQJ-MRXNPFEDSA-N 2 0 312.379 3.912 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423333283 1027515297 /nfs/dbraw/zinc/51/52/97/1027515297.db2.gz FCEHJYZGVCESDA-QGZVFWFLSA-N 2 0 322.452 3.836 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423374208 1027517154 /nfs/dbraw/zinc/51/71/54/1027517154.db2.gz IBAOJKHKEZRBOK-LJQANCHMSA-N 2 0 308.425 3.602 20 0 DHADRP c1ccc(CC[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423349235 1027518599 /nfs/dbraw/zinc/51/85/99/1027518599.db2.gz WEJWHCOBCMTUQK-NRFANRHFSA-N 2 0 306.453 3.870 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1F ZINC000423359987 1027520462 /nfs/dbraw/zinc/52/04/62/1027520462.db2.gz DYJSNSMAFRHTKD-WCQGTBRESA-N 2 0 315.230 3.509 20 0 DHADRP Brc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423355731 1027520652 /nfs/dbraw/zinc/52/06/52/1027520652.db2.gz FZZNUWAIRBDMQP-CVEARBPZSA-N 2 0 323.278 3.632 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000423368954 1027523135 /nfs/dbraw/zinc/52/31/35/1027523135.db2.gz BLQJQANUGMCKOQ-VNHYZAJKSA-N 2 0 310.869 3.918 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423369381 1027523816 /nfs/dbraw/zinc/52/38/16/1027523816.db2.gz BVURZJLYQJCOHD-XJKCOSOUSA-N 2 0 314.395 3.757 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C2CC2)cc1 ZINC000423368889 1027524453 /nfs/dbraw/zinc/52/44/53/1027524453.db2.gz DMCATNXCEBJMCT-NRFANRHFSA-N 2 0 306.453 3.709 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC[NH2+]1 ZINC000423375877 1027526616 /nfs/dbraw/zinc/52/66/16/1027526616.db2.gz IYTDSTXXJYETBS-UIAACRFSSA-N 2 0 312.432 3.840 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423385669 1027528253 /nfs/dbraw/zinc/52/82/53/1027528253.db2.gz GVGVLJRFMZPOGW-TXPKVOOTSA-N 2 0 304.478 3.760 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423385667 1027528593 /nfs/dbraw/zinc/52/85/93/1027528593.db2.gz GVGVLJRFMZPOGW-JTDSTZFVSA-N 2 0 304.478 3.760 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)sc1Br ZINC000423379904 1027528816 /nfs/dbraw/zinc/52/88/16/1027528816.db2.gz MGODIIYNZKXCIK-VWYCJHECSA-N 2 0 317.296 3.610 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423391835 1027530223 /nfs/dbraw/zinc/53/02/23/1027530223.db2.gz PUYWKVYPDSHHBM-XMDBHEJHSA-N 2 0 322.452 3.580 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CC[NH2+]1 ZINC000423385374 1027530459 /nfs/dbraw/zinc/53/04/59/1027530459.db2.gz QWGLVAAZBVBRQP-BFQNTYOBSA-N 2 0 323.278 3.557 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000423392529 1027530747 /nfs/dbraw/zinc/53/07/47/1027530747.db2.gz XRUSCUWGIKDGEO-WHOFXGATSA-N 2 0 316.367 3.766 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423422721 1027537820 /nfs/dbraw/zinc/53/78/20/1027537820.db2.gz DIQXWIWXVJNOOU-NHYWBVRUSA-N 2 0 316.367 3.680 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C1CCCC1 ZINC000423408272 1027540863 /nfs/dbraw/zinc/54/08/63/1027540863.db2.gz XDYJVRKNCIJCQF-DKSSEZFCSA-N 2 0 302.462 3.514 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccccc2)c1 ZINC000423407896 1027541632 /nfs/dbraw/zinc/54/16/32/1027541632.db2.gz WMHXTFWTKPEPKA-NDXORKPFSA-N 2 0 324.468 3.567 20 0 DHADRP Clc1cccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)c1 ZINC000423442612 1027545218 /nfs/dbraw/zinc/54/52/18/1027545218.db2.gz VCVGNYOBDHSNMV-WZGPROSRSA-N 2 0 318.892 3.954 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423428216 1027546796 /nfs/dbraw/zinc/54/67/96/1027546796.db2.gz GFXYRZNEZCNJOP-RYGJVYDSSA-N 2 0 316.489 3.760 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423428242 1027547551 /nfs/dbraw/zinc/54/75/51/1027547551.db2.gz GHNXMBBZLGUGCN-YTQUADARSA-N 2 0 318.892 3.639 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423459856 1027553462 /nfs/dbraw/zinc/55/34/62/1027553462.db2.gz RLKHABLGFWHEDZ-RDTXWAMCSA-N 2 0 317.864 3.736 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423466884 1027554757 /nfs/dbraw/zinc/55/47/57/1027554757.db2.gz NROPNKZNCKKVPT-GVARAGBVSA-N 2 0 300.368 3.667 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)C[C@H](C)O1 ZINC000562656686 1027556697 /nfs/dbraw/zinc/55/66/97/1027556697.db2.gz GKFMDEWDZUYAAY-ISARSNTHSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423468638 1027557086 /nfs/dbraw/zinc/55/70/86/1027557086.db2.gz OSQRTNSNYGKPRJ-AEGPPILISA-N 2 0 300.368 3.668 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423468139 1027557294 /nfs/dbraw/zinc/55/72/94/1027557294.db2.gz JLGZHVRROVFLIT-SOLBZPMBSA-N 2 0 302.462 3.624 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000423469643 1027558343 /nfs/dbraw/zinc/55/83/43/1027558343.db2.gz CWADBTLWAXZUTP-UZLBHIALSA-N 2 0 309.457 3.931 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000423468705 1027559464 /nfs/dbraw/zinc/55/94/64/1027559464.db2.gz URKMJUNTIBNSKR-HUBLWGQQSA-N 2 0 300.368 3.874 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423479671 1027561109 /nfs/dbraw/zinc/56/11/09/1027561109.db2.gz MJUHMFAJYOYGOE-DOMZBBRYSA-N 2 0 300.368 3.888 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc2)cc1 ZINC000423502813 1027565291 /nfs/dbraw/zinc/56/52/91/1027565291.db2.gz KFKQDDYNDMCBFR-XFQXTVEOSA-N 2 0 310.441 3.502 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000423489649 1027569672 /nfs/dbraw/zinc/56/96/72/1027569672.db2.gz WQCCWQTXVKXAKO-UZLBHIALSA-N 2 0 309.457 3.931 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OCC ZINC000423487885 1027569888 /nfs/dbraw/zinc/56/98/88/1027569888.db2.gz URKCWMRFYJDJIE-RDJZCZTQSA-N 2 0 320.477 3.667 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000423483158 1027571349 /nfs/dbraw/zinc/57/13/49/1027571349.db2.gz YLGBXZMSXSQYEK-ZAAXVRCTSA-N 2 0 312.432 3.870 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000423496201 1027573276 /nfs/dbraw/zinc/57/32/76/1027573276.db2.gz FZJQJTMGUHSKAB-XQQFMLRXSA-N 2 0 319.449 3.727 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCCO2 ZINC000423495818 1027573870 /nfs/dbraw/zinc/57/38/70/1027573870.db2.gz VOWREYAMLBQPSJ-QILLFSRXSA-N 2 0 302.462 3.741 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423514989 1027576266 /nfs/dbraw/zinc/57/62/66/1027576266.db2.gz SMEQAPRDLAIPAS-PMPSAXMXSA-N 2 0 313.489 3.941 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000423517488 1027576716 /nfs/dbraw/zinc/57/67/16/1027576716.db2.gz YXLVHSWTZAFUTH-LIRRHRJNSA-N 2 0 316.420 3.965 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423519057 1027580826 /nfs/dbraw/zinc/58/08/26/1027580826.db2.gz ZTGGHWQJKHOIDU-YWZLYKJASA-N 2 0 310.441 3.848 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1O ZINC000423524914 1027581504 /nfs/dbraw/zinc/58/15/04/1027581504.db2.gz XMUYPQCFKIZXKY-RHSMWYFYSA-N 2 0 314.429 3.532 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423541672 1027583893 /nfs/dbraw/zinc/58/38/93/1027583893.db2.gz LHGLRIOHHACTON-IJHJFAERSA-N 2 0 306.881 3.810 20 0 DHADRP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539200 1027584271 /nfs/dbraw/zinc/58/42/71/1027584271.db2.gz HVWLBDINHIRPIR-ZJIFWQFVSA-N 2 0 304.503 3.837 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423536667 1027584404 /nfs/dbraw/zinc/58/44/04/1027584404.db2.gz IBWYNIPPJPECQE-MRXNPFEDSA-N 2 0 302.462 3.826 20 0 DHADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423551629 1027585749 /nfs/dbraw/zinc/58/57/49/1027585749.db2.gz JERMTUZZNIZOMG-CQSZACIVSA-N 2 0 324.415 3.509 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423548545 1027585764 /nfs/dbraw/zinc/58/57/64/1027585764.db2.gz RLLHJGNOJJTIHW-MTNOOBJLSA-N 2 0 318.530 3.781 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423553167 1027585947 /nfs/dbraw/zinc/58/59/47/1027585947.db2.gz VSYRENYNHWVMJZ-VXIBKDFQSA-N 2 0 300.490 3.721 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000423552442 1027586576 /nfs/dbraw/zinc/58/65/76/1027586576.db2.gz UXMDXOKHFZKGCD-VURPSTOHSA-N 2 0 324.443 3.893 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423556843 1027587046 /nfs/dbraw/zinc/58/70/46/1027587046.db2.gz ZHSGIPBYKMHHQH-CTTWBBHYSA-N 2 0 324.921 3.871 20 0 DHADRP Cc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423544198 1027587059 /nfs/dbraw/zinc/58/70/59/1027587059.db2.gz WBNVUDRUWGTZOJ-OAQYLSRUSA-N 2 0 306.453 3.984 20 0 DHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CC(F)(F)C1 ZINC000296333182 1027606475 /nfs/dbraw/zinc/60/64/75/1027606475.db2.gz PKIMOYBTMIBOMS-UHFFFAOYSA-N 2 0 323.431 3.665 20 0 DHADRP Cn1cncc1CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000576476120 1027621361 /nfs/dbraw/zinc/62/13/61/1027621361.db2.gz TYFJTIYEXYXMNJ-GOSISDBHSA-N 2 0 301.409 3.719 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000576907535 1027676931 /nfs/dbraw/zinc/67/69/31/1027676931.db2.gz KCYZVVCJEJEJHH-CQSZACIVSA-N 2 0 310.844 3.643 20 0 DHADRP Cc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccn1 ZINC000527532049 1027735380 /nfs/dbraw/zinc/73/53/80/1027735380.db2.gz AFZNGZPLQWSYBN-GOSISDBHSA-N 2 0 315.505 3.867 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000577327500 1027751225 /nfs/dbraw/zinc/75/12/25/1027751225.db2.gz PJEHUUAPJZGUGF-FQEVSTJZSA-N 2 0 309.457 3.638 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527650644 1027806388 /nfs/dbraw/zinc/80/63/88/1027806388.db2.gz RHBJMPLELVKGQS-JVPBZIDWSA-N 2 0 318.530 3.984 20 0 DHADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562958753 1027825935 /nfs/dbraw/zinc/82/59/35/1027825935.db2.gz SIWYVSPADCMXNV-AQNXPRMDSA-N 2 0 316.489 3.527 20 0 DHADRP Cc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527680623 1027840253 /nfs/dbraw/zinc/84/02/53/1027840253.db2.gz AGGUVAJHRODNQZ-RXVVDRJESA-N 2 0 323.484 3.780 20 0 DHADRP CCC([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)(C1CC1)C1CC1 ZINC000527765859 1027885079 /nfs/dbraw/zinc/88/50/79/1027885079.db2.gz UCSNUYOHPYWUTQ-UHFFFAOYSA-N 2 0 310.445 3.634 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000527807958 1027892838 /nfs/dbraw/zinc/89/28/38/1027892838.db2.gz OGVNHVJTZKXXDU-GOSISDBHSA-N 2 0 302.462 3.580 20 0 DHADRP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCO[C@H](C)C2)cc1 ZINC001168099801 1027898789 /nfs/dbraw/zinc/89/87/89/1027898789.db2.gz CIMYXSDAKKBHTL-VBSBHUPXSA-N 2 0 316.489 3.634 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000365227505 1027905920 /nfs/dbraw/zinc/90/59/20/1027905920.db2.gz RXVXJFCQJBEHDS-QXAKKESOSA-N 2 0 316.489 3.617 20 0 DHADRP CCOCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000577729138 1027912265 /nfs/dbraw/zinc/91/22/65/1027912265.db2.gz GCLYZUCGIYAAMP-LJQANCHMSA-N 2 0 316.489 3.590 20 0 DHADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000577759185 1027921000 /nfs/dbraw/zinc/92/10/00/1027921000.db2.gz OEILRJGTUHXSBL-MSOLQXFVSA-N 2 0 306.519 3.984 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OCC ZINC000527927611 1027955152 /nfs/dbraw/zinc/95/51/52/1027955152.db2.gz CRZFILIDIHSZFQ-QXAKKESOSA-N 2 0 310.526 3.824 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OCC ZINC000527931700 1027990245 /nfs/dbraw/zinc/99/02/45/1027990245.db2.gz NCLSJVWWEQDCSV-QXAKKESOSA-N 2 0 310.526 3.824 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccn2)cc1 ZINC000578083206 1028044141 /nfs/dbraw/zinc/04/41/41/1028044141.db2.gz OXDUWZDZUFCIBL-BJLQDIEVSA-N 2 0 309.457 3.533 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000366527925 1028089832 /nfs/dbraw/zinc/08/98/32/1028089832.db2.gz JSPKIUDRSQBTJR-UHFFFAOYSA-N 2 0 322.497 3.506 20 0 DHADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4C[C@@H]5[C@H](C4)C5(C)C)C[C@H]3C2)cc1 ZINC001170752422 1028105672 /nfs/dbraw/zinc/10/56/72/1028105672.db2.gz IVAJLQXVSNLVHV-ONUIULTDSA-N 2 0 324.512 3.793 20 0 DHADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CCCC[NH+]3CCCC3)C2)c1 ZINC000367058278 1028129168 /nfs/dbraw/zinc/12/91/68/1028129168.db2.gz RRTYRPOKBHRMAT-IEBWSBKVSA-N 2 0 301.478 3.573 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H](C)c1nc2ccccc2s1 ZINC000578879357 1028262808 /nfs/dbraw/zinc/26/28/08/1028262808.db2.gz OTAZWMIEQIYTTH-IGQOVBAYSA-N 2 0 303.475 3.505 20 0 DHADRP COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc2ccccc21 ZINC000449030907 1028270331 /nfs/dbraw/zinc/27/03/31/1028270331.db2.gz SUWQVBCGJYRQAH-YJBOKZPZSA-N 2 0 312.457 3.763 20 0 DHADRP COc1cccc2c(C[N@H+](C)[C@H]3CCN(C)[C@@H](C)C3)cccc12 ZINC000449032698 1028277703 /nfs/dbraw/zinc/27/77/03/1028277703.db2.gz XWKUKSKEHUTZPJ-RDJZCZTQSA-N 2 0 312.457 3.763 20 0 DHADRP COc1cc(C)ccc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000449070600 1028333316 /nfs/dbraw/zinc/33/33/16/1028333316.db2.gz DJOWSPGVZFWIDC-UHFFFAOYSA-N 2 0 321.424 3.538 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449071284 1028334908 /nfs/dbraw/zinc/33/49/08/1028334908.db2.gz HFDACTCYMIBZNA-GJZGRUSLSA-N 2 0 311.429 3.795 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000564201173 1028355705 /nfs/dbraw/zinc/35/57/05/1028355705.db2.gz XFIVSRQPXNVONZ-VQTJNVASSA-N 2 0 316.489 3.699 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449087722 1028361230 /nfs/dbraw/zinc/36/12/30/1028361230.db2.gz GSFGARLXJQDWCO-KYJSFNMBSA-N 2 0 306.881 3.908 20 0 DHADRP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2ccccc21 ZINC000449090794 1028364619 /nfs/dbraw/zinc/36/46/19/1028364619.db2.gz OKKSTDBTTNQLFF-QZTJIDSGSA-N 2 0 310.441 3.565 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000368526946 1028366200 /nfs/dbraw/zinc/36/62/00/1028366200.db2.gz JRUKGGMEBYVPGZ-GUDVDZBRSA-N 2 0 322.537 3.683 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000579287805 1028371096 /nfs/dbraw/zinc/37/10/96/1028371096.db2.gz UYTQVNPDDJZWJO-AWEZNQCLSA-N 2 0 312.860 3.732 20 0 DHADRP C[NH+]1CCC(CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368570992 1028376258 /nfs/dbraw/zinc/37/62/58/1028376258.db2.gz BJRXAMBROCTTBC-UHFFFAOYSA-N 2 0 308.416 3.532 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000368612673 1028383975 /nfs/dbraw/zinc/38/39/75/1028383975.db2.gz ICSVSUHULFAIKF-VGWMRTNUSA-N 2 0 322.855 3.942 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000368612672 1028386845 /nfs/dbraw/zinc/38/68/45/1028386845.db2.gz ICSVSUHULFAIKF-KLHDSHLOSA-N 2 0 322.855 3.942 20 0 DHADRP C[C@H](CC1CC1)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449147464 1028403032 /nfs/dbraw/zinc/40/30/32/1028403032.db2.gz HBJUBZAVQMZRJR-IAGOWNOFSA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@]2(C)CO)CC1 ZINC000449172533 1028411024 /nfs/dbraw/zinc/41/10/24/1028411024.db2.gz JRYYDYVBGAFJOK-YLJYHZDGSA-N 2 0 324.553 3.806 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449174737 1028417011 /nfs/dbraw/zinc/41/70/11/1028417011.db2.gz IKFASXDJGYSXAY-KRWDZBQOSA-N 2 0 300.490 3.862 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449251794 1028474339 /nfs/dbraw/zinc/47/43/39/1028474339.db2.gz PITXKEQCBVPMAM-FUHWJXTLSA-N 2 0 304.865 3.828 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000564822641 1028507437 /nfs/dbraw/zinc/50/74/37/1028507437.db2.gz KNGBLBFFNJRAMR-ZDUSSCGKSA-N 2 0 303.475 3.769 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000449262050 1028512673 /nfs/dbraw/zinc/51/26/73/1028512673.db2.gz BBONKCXCRZKUSO-FUHIMQAGSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)CCN1Cc1ccccc1 ZINC000564960558 1028519838 /nfs/dbraw/zinc/51/98/38/1028519838.db2.gz DJSZUJPJXSVXLE-QXCFHYIPSA-N 2 0 304.453 3.910 20 0 DHADRP C1C([NH2+]C2CCC(OC3CCCC3)CC2)CC1[NH+]1CCCCC1 ZINC000449299516 1028520880 /nfs/dbraw/zinc/52/08/80/1028520880.db2.gz NCCBJNAZLFXOFO-UHFFFAOYSA-N 2 0 320.521 3.863 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564987116 1028525496 /nfs/dbraw/zinc/52/54/96/1028525496.db2.gz PDBONBSXVDBMGA-CJNGLKHVSA-N 2 0 312.379 3.842 20 0 DHADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000369854753 1028538448 /nfs/dbraw/zinc/53/84/48/1028538448.db2.gz ZVWBRAZLDHFANZ-ZSZQSSIHSA-N 2 0 313.420 3.564 20 0 DHADRP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449344630 1028557028 /nfs/dbraw/zinc/55/70/28/1028557028.db2.gz RXZPRXPNPYBXML-UZLBHIALSA-N 2 0 324.553 3.806 20 0 DHADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000565227003 1028559579 /nfs/dbraw/zinc/55/95/79/1028559579.db2.gz SWPBRYJDHYTVDG-IIDMSEBBSA-N 2 0 323.912 3.582 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000815570017 1028564357 /nfs/dbraw/zinc/56/43/57/1028564357.db2.gz OFXMNJWJTCEJSI-ULQDDVLXSA-N 2 0 322.468 3.674 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCC3CCOCC3)CC2)C1 ZINC000449354449 1028587675 /nfs/dbraw/zinc/58/76/75/1028587675.db2.gz NPDXEUBZZCKOFI-PXNSSMCTSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000449432087 1028637238 /nfs/dbraw/zinc/63/72/38/1028637238.db2.gz FQUFBZMGOHNMLR-HUUCEWRRSA-N 2 0 321.534 3.826 20 0 DHADRP CC[N@H+](CCCF)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000370729631 1028643634 /nfs/dbraw/zinc/64/36/34/1028643634.db2.gz UHEYNFHTCUEKPV-UHFFFAOYSA-N 2 0 322.472 3.559 20 0 DHADRP Cc1cc(Cl)cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000565880751 1028647996 /nfs/dbraw/zinc/64/79/96/1028647996.db2.gz WOSSJRHVJLULAB-IYBDPMFKSA-N 2 0 324.896 3.627 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H]1c1ccccc1 ZINC000371055072 1028665734 /nfs/dbraw/zinc/66/57/34/1028665734.db2.gz QGMFUEGPPYUTAI-VQIMIIECSA-N 2 0 316.395 3.747 20 0 DHADRP Cc1ccncc1CN1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371110529 1028672011 /nfs/dbraw/zinc/67/20/11/1028672011.db2.gz ZIGMSUGXUXOUSF-NRFANRHFSA-N 2 0 323.484 3.877 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000566062391 1028672327 /nfs/dbraw/zinc/67/23/27/1028672327.db2.gz CHELGIAFLLWDAW-OAQYLSRUSA-N 2 0 324.468 3.568 20 0 DHADRP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449487871 1028697550 /nfs/dbraw/zinc/69/75/50/1028697550.db2.gz ZGKFGSMECROSLX-UHOSZYNNSA-N 2 0 300.490 3.718 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000389655606 1028704057 /nfs/dbraw/zinc/70/40/57/1028704057.db2.gz AFCOMVWOHQWBRL-VDGAXYAQSA-N 2 0 300.490 3.890 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000449525517 1028753927 /nfs/dbraw/zinc/75/39/27/1028753927.db2.gz BNGVSMOPWLZXTA-UHFFFAOYSA-N 2 0 311.473 3.959 20 0 DHADRP Cc1nc2ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2s1 ZINC000449527811 1028757916 /nfs/dbraw/zinc/75/79/16/1028757916.db2.gz LDMGOYPZWDAGQZ-UHFFFAOYSA-N 2 0 305.491 3.815 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000566849356 1028793268 /nfs/dbraw/zinc/79/32/68/1028793268.db2.gz YQBNRRYJZWJNIK-UHFFFAOYSA-N 2 0 309.523 3.704 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000372047954 1028798305 /nfs/dbraw/zinc/79/83/05/1028798305.db2.gz VZPOXYSOBLAMOF-UXLLHSPISA-N 2 0 310.507 3.536 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC001137654449 1028859997 /nfs/dbraw/zinc/85/99/97/1028859997.db2.gz RGIIPSMCVLEYOH-UHFFFAOYSA-N 2 0 310.844 3.787 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000449628802 1028863630 /nfs/dbraw/zinc/86/36/30/1028863630.db2.gz SIOIKYJJDXUUHG-JKSUJKDBSA-N 2 0 322.518 3.821 20 0 DHADRP C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000372688770 1028884397 /nfs/dbraw/zinc/88/43/97/1028884397.db2.gz ICKBJTXVUUOTCG-BUJABKPXSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H]([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000372688769 1028884593 /nfs/dbraw/zinc/88/45/93/1028884593.db2.gz ICKBJTXVUUOTCG-BRJVHFRTSA-N 2 0 320.521 3.721 20 0 DHADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000567557002 1028915068 /nfs/dbraw/zinc/91/50/68/1028915068.db2.gz NRYGZNNGWZTOEN-OAHLLOKOSA-N 2 0 302.462 3.529 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628208500 1028940451 /nfs/dbraw/zinc/94/04/51/1028940451.db2.gz PODLTQTZTAXHPS-HNNXBMFYSA-N 2 0 314.395 3.569 20 0 DHADRP Oc1ccc(F)c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1F ZINC000816555955 1028942478 /nfs/dbraw/zinc/94/24/78/1028942478.db2.gz VJQUUMMVXXDVPU-UHFFFAOYSA-N 2 0 324.415 3.557 20 0 DHADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000568237879 1029030826 /nfs/dbraw/zinc/03/08/26/1029030826.db2.gz IGQQEUIDJMSEQO-MRXNPFEDSA-N 2 0 324.472 3.622 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000568407792 1029063883 /nfs/dbraw/zinc/06/38/83/1029063883.db2.gz RSFLIWWCHCLTEZ-YLJYHZDGSA-N 2 0 324.468 3.604 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000568407790 1029064187 /nfs/dbraw/zinc/06/41/87/1029064187.db2.gz RSFLIWWCHCLTEZ-PXNSSMCTSA-N 2 0 324.468 3.604 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000568407789 1029064453 /nfs/dbraw/zinc/06/44/53/1029064453.db2.gz RSFLIWWCHCLTEZ-FXAWDEMLSA-N 2 0 324.468 3.604 20 0 DHADRP COC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411267725 1029087457 /nfs/dbraw/zinc/08/74/57/1029087457.db2.gz LYQMBOMHYHNATP-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccs2)CCC1 ZINC000373780352 1029132581 /nfs/dbraw/zinc/13/25/81/1029132581.db2.gz LWJDOOGMOLBLAF-YQQAZPJKSA-N 2 0 322.518 3.678 20 0 DHADRP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@@H](C)C1CCCCC1 ZINC000568856967 1029137876 /nfs/dbraw/zinc/13/78/76/1029137876.db2.gz GOROYNPXLAYJNJ-CABCVRRESA-N 2 0 319.493 3.836 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000568943679 1029150894 /nfs/dbraw/zinc/15/08/94/1029150894.db2.gz FPWWVGDAZCCIMV-ZIAGYGMSSA-N 2 0 314.395 3.568 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000411676032 1029179503 /nfs/dbraw/zinc/17/95/03/1029179503.db2.gz PJQZQAVFNQOYSV-HXUWFJFHSA-N 2 0 316.489 3.673 20 0 DHADRP CO[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411698261 1029188948 /nfs/dbraw/zinc/18/89/48/1029188948.db2.gz UMANEPGDWDVUJK-XLIONFOSSA-N 2 0 316.489 3.672 20 0 DHADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000569205532 1029194076 /nfs/dbraw/zinc/19/40/76/1029194076.db2.gz FBKYCJVCFYUWCS-INIZCTEOSA-N 2 0 301.478 3.856 20 0 DHADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccn1 ZINC000411782468 1029207892 /nfs/dbraw/zinc/20/78/92/1029207892.db2.gz IEDMDTBENFDBFO-UHFFFAOYSA-N 2 0 309.457 3.700 20 0 DHADRP COc1cccc([C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374179890 1029231889 /nfs/dbraw/zinc/23/18/89/1029231889.db2.gz WUOGDDRUZOSPLI-MRXNPFEDSA-N 2 0 302.462 3.564 20 0 DHADRP C[C@@H](CC[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000569732475 1029257057 /nfs/dbraw/zinc/25/70/57/1029257057.db2.gz CKGVLAFYOYBEPE-PXNSSMCTSA-N 2 0 300.490 3.844 20 0 DHADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817894702 1029269698 /nfs/dbraw/zinc/26/96/98/1029269698.db2.gz QAJXOJMYFNFZTL-HSALFYBXSA-N 2 0 324.468 3.752 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000817922523 1029275624 /nfs/dbraw/zinc/27/56/24/1029275624.db2.gz XPNGFHMGHJTXFL-KLZNWCGWSA-N 2 0 319.518 3.729 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1(Cl)Cl ZINC000817936203 1029278020 /nfs/dbraw/zinc/27/80/20/1029278020.db2.gz IHTJVAFURCTNCF-YJNKXOJESA-N 2 0 319.320 3.861 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000569895182 1029282995 /nfs/dbraw/zinc/28/29/95/1029282995.db2.gz NTCUYEOVHPLBDI-UHFFFAOYSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000817946922 1029287506 /nfs/dbraw/zinc/28/75/06/1029287506.db2.gz HUHRXYXHGFCBFF-VWYCJHECSA-N 2 0 316.276 3.614 20 0 DHADRP COc1ccc([C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C(C)C)cc1 ZINC000817948894 1029292314 /nfs/dbraw/zinc/29/23/14/1029292314.db2.gz MELCERTZNFBBJV-FQEVSTJZSA-N 2 0 312.457 3.683 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cnn(-c2ccccc2)c1 ZINC000817962312 1029301601 /nfs/dbraw/zinc/30/16/01/1029301601.db2.gz HNHSSTZZBHHLRY-JKSUJKDBSA-N 2 0 320.440 3.743 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817960645 1029302665 /nfs/dbraw/zinc/30/26/65/1029302665.db2.gz OVZAAFHFNPLQOW-IMSIIYSGSA-N 2 0 316.276 3.744 20 0 DHADRP COc1ccnc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000925227147 1029311141 /nfs/dbraw/zinc/31/11/41/1029311141.db2.gz BOLQUHQZDJZCAX-GTPINHCMSA-N 2 0 317.477 3.538 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1C ZINC000817975927 1029314027 /nfs/dbraw/zinc/31/40/27/1029314027.db2.gz QUBDFEDCFXKBDS-BRWVUGGUSA-N 2 0 304.478 3.728 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccnc1Cl ZINC000817981896 1029316245 /nfs/dbraw/zinc/31/62/45/1029316245.db2.gz OHTVCIYAYWCRQU-XJKSGUPXSA-N 2 0 303.837 3.866 20 0 DHADRP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H](C)CCC[NH3+])CC2)cc1 ZINC000817978067 1029317614 /nfs/dbraw/zinc/31/76/14/1029317614.db2.gz VATVTDIMGXCLER-DZIBYMRMSA-N 2 0 318.505 3.657 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)CCO2 ZINC000817982671 1029321325 /nfs/dbraw/zinc/32/13/25/1029321325.db2.gz VIJPVUPWLMJRBF-DNVCBOLYSA-N 2 0 310.441 3.752 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1Cl ZINC000817987498 1029322180 /nfs/dbraw/zinc/32/21/80/1029322180.db2.gz ZZVQPQDDXNTWMY-ZDUSSCGKSA-N 2 0 308.853 3.617 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC000817986894 1029322216 /nfs/dbraw/zinc/32/22/16/1029322216.db2.gz VMYWRMUKSYXJSL-HOTGVXAUSA-N 2 0 302.462 3.637 20 0 DHADRP Cn1cncc1CC[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000412105440 1029323572 /nfs/dbraw/zinc/32/35/72/1029323572.db2.gz DDQUHCWWJPJWOO-NRFANRHFSA-N 2 0 319.452 3.710 20 0 DHADRP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000629399321 1029324465 /nfs/dbraw/zinc/32/44/65/1029324465.db2.gz PBPPWVLGVLYSCA-UHFFFAOYSA-N 2 0 324.877 3.524 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000629525190 1029357252 /nfs/dbraw/zinc/35/72/52/1029357252.db2.gz WNFYUGCOJNBRTQ-RCCFBDPRSA-N 2 0 315.505 3.568 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000629525187 1029357610 /nfs/dbraw/zinc/35/76/10/1029357610.db2.gz WNFYUGCOJNBRTQ-FGTMMUONSA-N 2 0 315.505 3.568 20 0 DHADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C2CCCCC2)cc1 ZINC000629524915 1029358476 /nfs/dbraw/zinc/35/84/76/1029358476.db2.gz WFYFLXAIGIPVLR-MRXNPFEDSA-N 2 0 316.489 3.893 20 0 DHADRP CC(C)[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000629521721 1029358514 /nfs/dbraw/zinc/35/85/14/1029358514.db2.gz SCMWMDTUWQRMFJ-SFHVURJKSA-N 2 0 318.505 3.779 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCC1CCCCC1 ZINC000570366395 1029358885 /nfs/dbraw/zinc/35/88/85/1029358885.db2.gz ZKJBVMBUAZONGJ-CEXWTWQISA-N 2 0 308.510 3.530 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCCCCC[NH+]3CCCC3)C[C@H]2C1 ZINC000818330558 1029366029 /nfs/dbraw/zinc/36/60/29/1029366029.db2.gz AAWGDVYASYXKAM-AVCFWEGKSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629562014 1029372720 /nfs/dbraw/zinc/37/27/20/1029372720.db2.gz MGRMLLPWLIRHBC-KBXIAJHMSA-N 2 0 306.416 3.662 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC(F)(F)C1 ZINC000529534791 1029394415 /nfs/dbraw/zinc/39/44/15/1029394415.db2.gz PZORXTFTMGTCRO-AWEZNQCLSA-N 2 0 308.416 3.806 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529539227 1029401699 /nfs/dbraw/zinc/40/16/99/1029401699.db2.gz UQLLRWXKZWOYBX-NVXWUHKLSA-N 2 0 322.443 3.574 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550717 1029406787 /nfs/dbraw/zinc/40/67/87/1029406787.db2.gz PKCFZNSTSXBOLJ-YOEHRIQHSA-N 2 0 308.416 3.674 20 0 DHADRP [NH3+]C[C@@H]1CN(Cc2cccc(C3CC3)c2)CC[C@H]1C(F)(F)F ZINC000629653391 1029407074 /nfs/dbraw/zinc/40/70/74/1029407074.db2.gz GIVJOVIFZIYKKH-HZPDHXFCSA-N 2 0 312.379 3.523 20 0 DHADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629653210 1029407717 /nfs/dbraw/zinc/40/77/17/1029407717.db2.gz CZDLDJGHXJVWKO-BARDWOONSA-N 2 0 306.416 3.662 20 0 DHADRP C[C@@]1(F)CC[NH+](Cc2cccc(C[N@H+]3CC[C@@](C)(F)C3)c2)C1 ZINC000347352927 1029438935 /nfs/dbraw/zinc/43/89/35/1029438935.db2.gz OPLJURLYKSXAJT-QZTJIDSGSA-N 2 0 308.416 3.554 20 0 DHADRP Cc1cc(C)cc([C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000819049232 1029457924 /nfs/dbraw/zinc/45/79/24/1029457924.db2.gz IMVMIVUMJXSDFU-FQEVSTJZSA-N 2 0 318.505 3.583 20 0 DHADRP CCc1ccc2[nH+]ccc(N3CCC4(CCC[N@@H+]4C)CC3)c2c1 ZINC000450418803 1029466561 /nfs/dbraw/zinc/46/65/61/1029466561.db2.gz MXMKFBDAPGTIHB-UHFFFAOYSA-N 2 0 309.457 3.862 20 0 DHADRP C1CC1[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCOCC1 ZINC000925228441 1029475689 /nfs/dbraw/zinc/47/56/89/1029475689.db2.gz HMQVNMTXVBZRJW-MHJFOBGBSA-N 2 0 320.521 3.578 20 0 DHADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC(F)(F)C1 ZINC000450452771 1029486368 /nfs/dbraw/zinc/48/63/68/1029486368.db2.gz IDGGOIXOSIRRRE-QZTJIDSGSA-N 2 0 322.443 3.876 20 0 DHADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229546 1029553609 /nfs/dbraw/zinc/55/36/09/1029553609.db2.gz NMCKSZDREQLEQL-FVELJTHGSA-N 2 0 322.537 3.704 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170932411 1029593170 /nfs/dbraw/zinc/59/31/70/1029593170.db2.gz DWSRLKHMQTTYJL-MRXNPFEDSA-N 2 0 306.881 3.615 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170948502 1029733499 /nfs/dbraw/zinc/73/34/99/1029733499.db2.gz HMUQJCJUGCOCGL-SOLBZPMBSA-N 2 0 318.480 3.641 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]CC(C3CC3)C3CC3)CC2)cc1 ZINC000391047897 1029735410 /nfs/dbraw/zinc/73/54/10/1029735410.db2.gz FSQXSYAOWYDRFW-UHFFFAOYSA-N 2 0 312.501 3.719 20 0 DHADRP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811368 1029768702 /nfs/dbraw/zinc/76/87/02/1029768702.db2.gz PJGGRQYFGXBUFB-VQIMIIECSA-N 2 0 306.494 3.586 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1CC(C)C ZINC000530207091 1029780318 /nfs/dbraw/zinc/78/03/18/1029780318.db2.gz DCNCYNZSLODGPN-HNNXBMFYSA-N 2 0 311.473 3.898 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211984 1029784337 /nfs/dbraw/zinc/78/43/37/1029784337.db2.gz PPKHLFLAFIWARE-RHSMWYFYSA-N 2 0 300.471 3.893 20 0 DHADRP CC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000530218709 1029786679 /nfs/dbraw/zinc/78/66/79/1029786679.db2.gz MZZLRJNQHZBRIB-YJBOKZPZSA-N 2 0 311.473 3.911 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000530219077 1029787650 /nfs/dbraw/zinc/78/76/50/1029787650.db2.gz YXFUVVSULRMWFL-HYVNUMGLSA-N 2 0 304.865 3.850 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)C[C@@](C)(C[NH3+])C1 ZINC001170956342 1029790446 /nfs/dbraw/zinc/79/04/46/1029790446.db2.gz VWFPLQDMDJOUOL-GQIGUUNPSA-N 2 0 318.480 3.816 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000054465505 1029804769 /nfs/dbraw/zinc/80/47/69/1029804769.db2.gz UVUUCYGFRYBBQI-PBHICJAKSA-N 2 0 300.471 3.865 20 0 DHADRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCO[C@H](C)C2)CC1 ZINC001168128124 1029814619 /nfs/dbraw/zinc/81/46/19/1029814619.db2.gz NNVDKKNLIAMHFG-XLIONFOSSA-N 2 0 316.489 3.540 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000121760866 1029837834 /nfs/dbraw/zinc/83/78/34/1029837834.db2.gz YGTGLMAHBGGCDJ-GOSISDBHSA-N 2 0 302.462 3.612 20 0 DHADRP Clc1cncc(Cl)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000865579941 1029925327 /nfs/dbraw/zinc/92/53/27/1029925327.db2.gz MAUGSUWCJJHVHJ-UHFFFAOYSA-N 2 0 316.276 3.744 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cncc3ccccc32)CC1 ZINC000865717062 1029986549 /nfs/dbraw/zinc/98/65/49/1029986549.db2.gz MSJJLHIZEKGAIN-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000865764682 1030013645 /nfs/dbraw/zinc/01/36/45/1030013645.db2.gz LLIRXPKODUIFGA-UHFFFAOYSA-N 2 0 320.452 3.719 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924529258 1030114376 /nfs/dbraw/zinc/11/43/76/1030114376.db2.gz UJOSKAHBOJFCKI-CVEARBPZSA-N 2 0 306.498 3.769 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnn(C2CCC2)c1 ZINC000924686052 1030157892 /nfs/dbraw/zinc/15/78/92/1030157892.db2.gz KFGMGTFOBPLIJL-DLBZAZTESA-N 2 0 318.509 3.771 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000866231968 1030168700 /nfs/dbraw/zinc/16/87/00/1030168700.db2.gz AYLGUIILTJYZLI-TYCQWZJGSA-N 2 0 323.484 3.772 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000924955301 1030235018 /nfs/dbraw/zinc/23/50/18/1030235018.db2.gz NLKCEKOXHFVDLC-NRFANRHFSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000866338251 1030239065 /nfs/dbraw/zinc/23/90/65/1030239065.db2.gz YYRQUGNIYYXAJV-LMMKCTJWSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C1(Br)CC1 ZINC000925047781 1030256512 /nfs/dbraw/zinc/25/65/12/1030256512.db2.gz DQICUFWFYCSEIV-AWEZNQCLSA-N 2 0 317.315 3.548 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H]3CCSC3)CC2)C1 ZINC000866404251 1030282376 /nfs/dbraw/zinc/28/23/76/1030282376.db2.gz ZDQIDYZNCWRFDF-RYRKJORJSA-N 2 0 310.551 3.762 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3sccc32)C[C@@H](C)O1 ZINC000358040691 1030294522 /nfs/dbraw/zinc/29/45/22/1030294522.db2.gz SKJWIKHCGAAUAW-BFYDXBDKSA-N 2 0 322.518 3.605 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000866467757 1030308947 /nfs/dbraw/zinc/30/89/47/1030308947.db2.gz PNHKPQWFGXTCOQ-INIZCTEOSA-N 2 0 303.494 3.860 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000358086149 1030320991 /nfs/dbraw/zinc/32/09/91/1030320991.db2.gz OLPQKTNNRDPPLU-STQMWFEESA-N 2 0 303.475 3.729 20 0 DHADRP COC(C)(C)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000866505674 1030330315 /nfs/dbraw/zinc/33/03/15/1030330315.db2.gz ROQWOQYQZZDHDL-UHFFFAOYSA-N 2 0 318.505 3.834 20 0 DHADRP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccnn1CC1CCC1 ZINC000925309141 1030339768 /nfs/dbraw/zinc/33/97/68/1030339768.db2.gz WGVNYZLLVUNNJV-OAHLLOKOSA-N 2 0 318.509 3.597 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc2c(c1)COC2 ZINC000866516187 1030341457 /nfs/dbraw/zinc/34/14/57/1030341457.db2.gz NOJDCSBGMXJDSE-FTXHTYHOSA-N 2 0 302.462 3.630 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc2c(c1)CCO2 ZINC000866516374 1030341662 /nfs/dbraw/zinc/34/16/62/1030341662.db2.gz QLAYIIXHIRQPJJ-STJZUHDESA-N 2 0 302.462 3.535 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(-c2ccncc2)cc1 ZINC000925525161 1030387313 /nfs/dbraw/zinc/38/73/13/1030387313.db2.gz ALRLBAYHXXBOHY-KYNGSXCRSA-N 2 0 307.441 3.669 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(-c2cccnc2)cc1 ZINC000925529375 1030387731 /nfs/dbraw/zinc/38/77/31/1030387731.db2.gz IZUNJWKLZJVYSC-JVPBZIDWSA-N 2 0 307.441 3.669 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925532004 1030388917 /nfs/dbraw/zinc/38/89/17/1030388917.db2.gz UIBRDVQONIJBDP-UXHICEINSA-N 2 0 323.484 3.535 20 0 DHADRP C/C(=C\C=C\N)[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C[C@@H]1C ZINC001171032377 1030395004 /nfs/dbraw/zinc/39/50/04/1030395004.db2.gz UMMLVOIQVCBONG-WAUZURHUSA-N 2 0 319.537 3.911 20 0 DHADRP c1c2cccnc2oc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000823811838 1030395868 /nfs/dbraw/zinc/39/58/68/1030395868.db2.gz AUDPCNKRGUDIFS-UHFFFAOYSA-N 2 0 315.461 3.964 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925566419 1030406114 /nfs/dbraw/zinc/40/61/14/1030406114.db2.gz BRJRUSSUDJRVQS-YRXWBPOGSA-N 2 0 316.489 3.650 20 0 DHADRP CCCC[C@H]1C[C@@H]([NH2+]CCCCCCCCCCO)CC[NH2+]1 ZINC001246285958 1030408719 /nfs/dbraw/zinc/40/87/19/1030408719.db2.gz GODYTDIZKXEJQZ-OALUTQOASA-N 2 0 312.542 4.000 20 0 DHADRP CC[C@@H](C[C@@H](C)O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000866634673 1030415913 /nfs/dbraw/zinc/41/59/13/1030415913.db2.gz SPXSYSIWDLTEKI-OVZGMEQFSA-N 2 0 318.505 3.569 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000925622219 1030425107 /nfs/dbraw/zinc/42/51/07/1030425107.db2.gz LXEIOJBVQGRVSY-WOJBJXKFSA-N 2 0 324.468 3.570 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CCC2 ZINC000925631952 1030427382 /nfs/dbraw/zinc/42/73/82/1030427382.db2.gz LUPCSICFVHNQFJ-ZMSDIMECSA-N 2 0 319.518 3.587 20 0 DHADRP Cc1csc([C@@H](C)C[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925647742 1030430910 /nfs/dbraw/zinc/43/09/10/1030430910.db2.gz GKFKKDGOIKTDQR-XJKSGUPXSA-N 2 0 303.475 3.625 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000925645867 1030432279 /nfs/dbraw/zinc/43/22/79/1030432279.db2.gz UHOHLHBTTRFSEL-MSOLQXFVSA-N 2 0 314.404 3.719 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](c3ccc(Cl)cc3)C1)[NH2+]2 ZINC000925653914 1030440359 /nfs/dbraw/zinc/44/03/59/1030440359.db2.gz CBLHFKLCMJJWBL-POEZBYADSA-N 2 0 304.865 3.705 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](c3ccc(Cl)cc3)C1)[NH2+]2 ZINC000925653913 1030440714 /nfs/dbraw/zinc/44/07/14/1030440714.db2.gz CBLHFKLCMJJWBL-OKKOPOJRSA-N 2 0 304.865 3.705 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925656818 1030442787 /nfs/dbraw/zinc/44/27/87/1030442787.db2.gz PNPJUAFSDHADBF-MIGQKNRLSA-N 2 0 324.390 3.811 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C12CCC2 ZINC000925657931 1030443791 /nfs/dbraw/zinc/44/37/91/1030443791.db2.gz VJDQDRQGSYSKFW-MIGQKNRLSA-N 2 0 324.390 3.811 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000925673244 1030447667 /nfs/dbraw/zinc/44/76/67/1030447667.db2.gz BFWOHRVYLOVTJD-QWVQCAKKSA-N 2 0 304.865 3.692 20 0 DHADRP C[C@]1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1(Cl)Cl ZINC000925682263 1030453828 /nfs/dbraw/zinc/45/38/28/1030453828.db2.gz VQUZKXTTZJTJLT-ZIAGYGMSSA-N 2 0 301.261 3.640 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2cccnc2c1)c1ccccc1 ZINC000925726608 1030464324 /nfs/dbraw/zinc/46/43/24/1030464324.db2.gz UQISJDYHXUDCKU-LJQANCHMSA-N 2 0 305.425 3.805 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000925736084 1030471610 /nfs/dbraw/zinc/47/16/10/1030471610.db2.gz YMYBJMGLHOKLJC-REWJHTLYSA-N 2 0 304.400 3.627 20 0 DHADRP CC(C)C[C@H](c1ccccc1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925749237 1030477569 /nfs/dbraw/zinc/47/75/69/1030477569.db2.gz WAXAUEYVAAFASB-MRXNPFEDSA-N 2 0 315.486 3.747 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000925758434 1030485459 /nfs/dbraw/zinc/48/54/59/1030485459.db2.gz CGIRLJGLVLLTRE-UHFFFAOYSA-N 2 0 323.234 3.555 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786831 1030498694 /nfs/dbraw/zinc/49/86/94/1030498694.db2.gz VOKZGAUDDPNPDM-PMPSAXMXSA-N 2 0 313.489 3.669 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccc2ncccc2c1)c1ccccc1 ZINC000925814825 1030505059 /nfs/dbraw/zinc/50/50/59/1030505059.db2.gz QSAPXXNRNLAJNX-HXUWFJFHSA-N 2 0 319.452 3.847 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3ncccc3c2)c2ccccc21 ZINC000925814690 1030506620 /nfs/dbraw/zinc/50/66/20/1030506620.db2.gz OJZFTBJOKACNFO-QUCCMNQESA-N 2 0 303.409 3.512 20 0 DHADRP c1ccc2ncc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000925830729 1030511274 /nfs/dbraw/zinc/51/12/74/1030511274.db2.gz GXILJWKLXMHNFP-CEWLAPEOSA-N 2 0 323.484 3.678 20 0 DHADRP c1ccc2ncc(CC[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)cc2c1 ZINC000925834159 1030515206 /nfs/dbraw/zinc/51/52/06/1030515206.db2.gz VSKLXADUGIAUMG-FPOVZHCZSA-N 2 0 323.484 3.535 20 0 DHADRP C[C@@H](c1ccccc1Br)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501609 1030515881 /nfs/dbraw/zinc/51/58/81/1030515881.db2.gz BESUWJVPCVFFDN-ZDUSSCGKSA-N 2 0 323.278 3.586 20 0 DHADRP Cc1nc2c(cccc2CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000925838937 1030516286 /nfs/dbraw/zinc/51/62/86/1030516286.db2.gz OYKVBDORBNHRSU-WMLDXEAASA-N 2 0 315.461 3.579 20 0 DHADRP CC(C)C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccn1 ZINC000925886570 1030534108 /nfs/dbraw/zinc/53/41/08/1030534108.db2.gz IFSJRIBPISWSDL-NRSPTQNISA-N 2 0 323.484 3.818 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000925887789 1030537476 /nfs/dbraw/zinc/53/74/76/1030537476.db2.gz MGXXECGNZOALTO-SUMDDJOVSA-N 2 0 312.482 3.774 20 0 DHADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000925973975 1030562120 /nfs/dbraw/zinc/56/21/20/1030562120.db2.gz WFCYNHVQTXWWLH-FFZOFVMBSA-N 2 0 318.505 3.993 20 0 DHADRP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358670183 1030580276 /nfs/dbraw/zinc/58/02/76/1030580276.db2.gz VKYTXZDFRHJDML-MBOZVWFJSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358670184 1030580753 /nfs/dbraw/zinc/58/07/53/1030580753.db2.gz VKYTXZDFRHJDML-UWVAXJGDSA-N 2 0 315.505 3.645 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccn2)c1 ZINC000926116371 1030622093 /nfs/dbraw/zinc/62/20/93/1030622093.db2.gz YNRDJYJLPUSDAG-HXUWFJFHSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120394 1030625640 /nfs/dbraw/zinc/62/56/40/1030625640.db2.gz ZIVVYAIKMMAMDD-VPRUJKLYSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120392 1030626217 /nfs/dbraw/zinc/62/62/17/1030626217.db2.gz ZIVVYAIKMMAMDD-RIGHFQGKSA-N 2 0 320.521 3.577 20 0 DHADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cnc(C4CCCC4)s3)CC[C@H]21 ZINC000246846648 1030657240 /nfs/dbraw/zinc/65/72/40/1030657240.db2.gz RZYRASWRIQWHTF-NVXWUHKLSA-N 2 0 319.518 3.717 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000246898888 1030660547 /nfs/dbraw/zinc/66/05/47/1030660547.db2.gz JPIHCVSNPOVVKP-MJGOQNOKSA-N 2 0 302.462 3.707 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000247067526 1030671898 /nfs/dbraw/zinc/67/18/98/1030671898.db2.gz VOWSEDKWVPMIGC-TZIWHRDSSA-N 2 0 321.468 3.665 20 0 DHADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000247228493 1030684404 /nfs/dbraw/zinc/68/44/04/1030684404.db2.gz YDCSODKDJZQDQU-PBHICJAKSA-N 2 0 322.880 3.875 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824971701 1030688513 /nfs/dbraw/zinc/68/85/13/1030688513.db2.gz XCEZEIRTDCJUJN-CQSZACIVSA-N 2 0 307.309 3.813 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000926354622 1030708974 /nfs/dbraw/zinc/70/89/74/1030708974.db2.gz UZSRRYFSSBAGPR-NQIIRXRSSA-N 2 0 323.484 3.514 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926372399 1030717159 /nfs/dbraw/zinc/71/71/59/1030717159.db2.gz QGKXYCWPTBSJLU-XMTFNYHQSA-N 2 0 318.505 3.993 20 0 DHADRP C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926406456 1030725549 /nfs/dbraw/zinc/72/55/49/1030725549.db2.gz CCEIMDREQYLULA-GFCCVEGCSA-N 2 0 300.368 3.741 20 0 DHADRP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000248399835 1030740356 /nfs/dbraw/zinc/74/03/56/1030740356.db2.gz KJFHYIJFKVSMJQ-UFYCRDLUSA-N 2 0 310.441 3.670 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248457388 1030744828 /nfs/dbraw/zinc/74/48/28/1030744828.db2.gz SZCLTKREWGZXTG-INMHGKMJSA-N 2 0 306.425 3.502 20 0 DHADRP C[C@H](c1cnccn1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248621464 1030755216 /nfs/dbraw/zinc/75/52/16/1030755216.db2.gz NDXSJZGJIDDWBS-DLBZAZTESA-N 2 0 316.493 3.514 20 0 DHADRP C[C@H](F)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926486514 1030759611 /nfs/dbraw/zinc/75/96/11/1030759611.db2.gz SVFUVJQYAOFMOH-UXDRXVOSSA-N 2 0 304.453 3.910 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926543903 1030790283 /nfs/dbraw/zinc/79/02/83/1030790283.db2.gz YSSLSPMIXCXTEO-CCNLRDMRSA-N 2 0 318.530 3.944 20 0 DHADRP COCc1ccc(CNC(C)(C)CC[NH+]2CCCCCC2)o1 ZINC000359150326 1030802196 /nfs/dbraw/zinc/80/21/96/1030802196.db2.gz YHQDPLCSUJRHNM-UHFFFAOYSA-N 2 0 308.466 3.560 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000926595671 1030816432 /nfs/dbraw/zinc/81/64/32/1030816432.db2.gz GZXCZCSNPAHPRY-INIZCTEOSA-N 2 0 311.473 3.772 20 0 DHADRP CC[N@H+](CCC[NH2+]C1CC2(C1)CO[C@H](C)C2)C1CCCCC1 ZINC000926646758 1030835524 /nfs/dbraw/zinc/83/55/24/1030835524.db2.gz ARTICWLBLDSRRM-LRYGQEGESA-N 2 0 308.510 3.578 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000926665095 1030849931 /nfs/dbraw/zinc/84/99/31/1030849931.db2.gz BDMJXPMFOSXGQU-NZSAHSFTSA-N 2 0 312.457 3.802 20 0 DHADRP CSCC1(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926689503 1030863190 /nfs/dbraw/zinc/86/31/90/1030863190.db2.gz QHDOQFWQRZYCIC-HNNXBMFYSA-N 2 0 306.519 3.932 20 0 DHADRP COc1cccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1C ZINC000926734901 1030890884 /nfs/dbraw/zinc/89/08/84/1030890884.db2.gz UGJMAMGAWNTXPN-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP COc1ccc(F)c(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926735166 1030891406 /nfs/dbraw/zinc/89/14/06/1030891406.db2.gz CYPIQIRRFGLMPI-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP c1ccc([C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CCC2)nc1 ZINC000926731512 1030894246 /nfs/dbraw/zinc/89/42/46/1030894246.db2.gz JAHOFKGAHDKEJG-HXUWFJFHSA-N 2 0 313.489 3.634 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000161633115 1030931043 /nfs/dbraw/zinc/93/10/43/1030931043.db2.gz RRBOKKVWKANNSN-HZPDHXFCSA-N 2 0 304.478 3.651 20 0 DHADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000359373013 1030932136 /nfs/dbraw/zinc/93/21/36/1030932136.db2.gz STKNGGHTMGLOLE-OAHLLOKOSA-N 2 0 314.420 3.917 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccnn1C1CCC1 ZINC000926796766 1030932688 /nfs/dbraw/zinc/93/26/88/1030932688.db2.gz MIXYRANDYZFKLY-SYJJWHGVSA-N 2 0 304.482 3.522 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)C2 ZINC001171105041 1030964776 /nfs/dbraw/zinc/96/47/76/1030964776.db2.gz NORNCXJSLMUCQW-SFHVURJKSA-N 2 0 318.892 3.804 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC1 ZINC000926878696 1030965156 /nfs/dbraw/zinc/96/51/56/1030965156.db2.gz ROPAXJDRAABOTB-IBGZPJMESA-N 2 0 322.537 3.826 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C ZINC000926903971 1030977716 /nfs/dbraw/zinc/97/77/16/1030977716.db2.gz SURCQLXFRGAOMY-HNNXBMFYSA-N 2 0 302.462 3.529 20 0 DHADRP CCSc1ccccc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000926922853 1030996705 /nfs/dbraw/zinc/99/67/05/1030996705.db2.gz MAVQGQANFOZIKR-HNNXBMFYSA-N 2 0 306.519 3.661 20 0 DHADRP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000844221571 1030997182 /nfs/dbraw/zinc/99/71/82/1030997182.db2.gz GNSLHNSCKMJTDA-SFHVURJKSA-N 2 0 314.477 3.619 20 0 DHADRP Cc1c[nH+]ccc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000359531619 1031009418 /nfs/dbraw/zinc/00/94/18/1031009418.db2.gz LIGAWHHDDBOIAQ-NRFANRHFSA-N 2 0 321.468 3.883 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C(F)(F)F)CC2)C1 ZINC000926949196 1031013156 /nfs/dbraw/zinc/01/31/56/1031013156.db2.gz LJRBNCVIXQLKSV-BFJAYTPKSA-N 2 0 318.427 3.818 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC001246514344 1031020110 /nfs/dbraw/zinc/02/01/10/1031020110.db2.gz GLYMIVYEEKAWFK-BONVTDFDSA-N 2 0 301.261 3.512 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000926978074 1031025977 /nfs/dbraw/zinc/02/59/77/1031025977.db2.gz XQPWREQMEIPVFF-IAGOWNOFSA-N 2 0 322.443 3.888 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000927036475 1031044291 /nfs/dbraw/zinc/04/42/91/1031044291.db2.gz HWGMRECZZVIWBK-GPJFCIFZSA-N 2 0 313.489 3.919 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000927037219 1031045451 /nfs/dbraw/zinc/04/54/51/1031045451.db2.gz LZWYIGYKNNSKTL-SYYJFZTOSA-N 2 0 313.489 3.919 20 0 DHADRP COc1ccccc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038181 1031045812 /nfs/dbraw/zinc/04/58/12/1031045812.db2.gz NKVFGWOMZGMXTG-LYGPFTKASA-N 2 0 302.462 3.753 20 0 DHADRP CCC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccnc1 ZINC000927037360 1031045901 /nfs/dbraw/zinc/04/59/01/1031045901.db2.gz JJVQGZILMNTBOI-JLAWEPINSA-N 2 0 301.478 3.919 20 0 DHADRP COc1cc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)ccc1F ZINC000927038510 1031045915 /nfs/dbraw/zinc/04/59/15/1031045915.db2.gz OYSRHTJBMWYJDQ-ASFAAARLSA-N 2 0 320.452 3.892 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000261772320 1031061915 /nfs/dbraw/zinc/06/19/15/1031061915.db2.gz DVOICULCOMMBLG-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000261805621 1031066415 /nfs/dbraw/zinc/06/64/15/1031066415.db2.gz OKQJAFIZQSPUKO-QGZVFWFLSA-N 2 0 304.434 3.725 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000927098284 1031084833 /nfs/dbraw/zinc/08/48/33/1031084833.db2.gz AZZXRTDSTGOUQB-MRXNPFEDSA-N 2 0 310.526 3.680 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262101759 1031094418 /nfs/dbraw/zinc/09/44/18/1031094418.db2.gz VPSMVJQGXQUHCI-OAQYLSRUSA-N 2 0 322.452 3.548 20 0 DHADRP Clc1cnc2oc(C[NH2+]CCCCC[NH+]3CCCC3)cc2c1 ZINC000648594497 1031160982 /nfs/dbraw/zinc/16/09/82/1031160982.db2.gz YQWYTINOIKRHBA-UHFFFAOYSA-N 2 0 321.852 3.837 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCc2csc(C)n2)CC1 ZINC000359869474 1031172045 /nfs/dbraw/zinc/17/20/45/1031172045.db2.gz FYLBCFDJACTKRF-UHFFFAOYSA-N 2 0 323.550 3.828 20 0 DHADRP CC(C)O[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000292793046 1031178901 /nfs/dbraw/zinc/17/89/01/1031178901.db2.gz KDZYSZVGPQHRQZ-JIRNRHONSA-N 2 0 316.489 3.710 20 0 DHADRP CC[C@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000359924754 1031197166 /nfs/dbraw/zinc/19/71/66/1031197166.db2.gz JCMOKSWFQBRYMA-QFBILLFUSA-N 2 0 304.478 3.576 20 0 DHADRP CCc1nc(C(C)C)ccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000292897170 1031239509 /nfs/dbraw/zinc/23/95/09/1031239509.db2.gz VSVAOYVVYFNXRI-DOTOQJQBSA-N 2 0 303.494 3.682 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCOC1 ZINC000872019990 1031403670 /nfs/dbraw/zinc/40/36/70/1031403670.db2.gz BQQYEPNYBATZFU-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP COc1ccccc1/C=C/C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000536696993 1031404917 /nfs/dbraw/zinc/40/49/17/1031404917.db2.gz GWMNOWFLLWOZNT-JXMROGBWSA-N 2 0 316.489 3.762 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)ccc1F ZINC000872034557 1031419865 /nfs/dbraw/zinc/41/98/65/1031419865.db2.gz KAGDCXXYCMBGQR-AEFFLSMTSA-N 2 0 322.468 3.571 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CS1 ZINC000379650543 1031425684 /nfs/dbraw/zinc/42/56/84/1031425684.db2.gz RXRFEGPHFWSNQG-LMSBXDPUSA-N 2 0 304.503 3.523 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(OC)c1 ZINC000360497007 1031448328 /nfs/dbraw/zinc/44/83/28/1031448328.db2.gz XERXQQGJQDPVLI-IBGZPJMESA-N 2 0 302.462 3.753 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872059475 1031452161 /nfs/dbraw/zinc/45/21/61/1031452161.db2.gz FRKCRSIKMDWRQL-IMBTUZDBSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872059472 1031452206 /nfs/dbraw/zinc/45/22/06/1031452206.db2.gz FRKCRSIKMDWRQL-BMFAXAFESA-N 2 0 322.537 3.823 20 0 DHADRP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000872087899 1031482985 /nfs/dbraw/zinc/48/29/85/1031482985.db2.gz MDYKKMVMSLDMDN-CABCVRRESA-N 2 0 306.416 3.819 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000929297694 1031488110 /nfs/dbraw/zinc/48/81/10/1031488110.db2.gz QTBUKUOYJPIPNX-DZFIZOCASA-N 2 0 310.526 3.634 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000423235667 1031509965 /nfs/dbraw/zinc/50/99/65/1031509965.db2.gz RAEOQGPDCAXYOP-AFMYVXGZSA-N 2 0 312.432 3.969 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000537180635 1031523514 /nfs/dbraw/zinc/52/35/14/1031523514.db2.gz KYIDGJHKMWZYJT-AZUAARDMSA-N 2 0 302.506 3.919 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929505361 1031533819 /nfs/dbraw/zinc/53/38/19/1031533819.db2.gz HTQHSCCCAMURLX-SFHVURJKSA-N 2 0 308.510 3.530 20 0 DHADRP CC(C)n1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156069 1031535636 /nfs/dbraw/zinc/53/56/36/1031535636.db2.gz DHYVDNAWNNHGQN-QFBILLFUSA-N 2 0 318.509 3.584 20 0 DHADRP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156009 1031536179 /nfs/dbraw/zinc/53/61/79/1031536179.db2.gz CMRAUTFDYOLULN-DOTOQJQBSA-N 2 0 319.493 3.918 20 0 DHADRP FC(F)(F)c1coc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000872145234 1031536942 /nfs/dbraw/zinc/53/69/42/1031536942.db2.gz QCOYAEIHNGETCD-CYBMUJFWSA-N 2 0 316.367 3.510 20 0 DHADRP COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCCCCC[NH3+] ZINC000872156769 1031537184 /nfs/dbraw/zinc/53/71/84/1031537184.db2.gz DEAOJHYZDKPTDY-KRWDZBQOSA-N 2 0 322.518 3.694 20 0 DHADRP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCCCCC[NH3+] ZINC000872155116 1031538092 /nfs/dbraw/zinc/53/80/92/1031538092.db2.gz DFBZLGYZEFOUTN-HNNXBMFYSA-N 2 0 301.434 3.854 20 0 DHADRP c1ccc(CC(Cc2ccccc2)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666857864 1031538346 /nfs/dbraw/zinc/53/83/46/1031538346.db2.gz NEWFYAJBWSQJNA-FQEVSTJZSA-N 2 0 308.469 3.572 20 0 DHADRP CCCCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000123970474 1031550433 /nfs/dbraw/zinc/55/04/33/1031550433.db2.gz LWYSFYMJWBZWLU-FQEVSTJZSA-N 2 0 317.521 3.535 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360838358 1031584928 /nfs/dbraw/zinc/58/49/28/1031584928.db2.gz UELSNGOVZIXTQE-QKLQHJQFSA-N 2 0 315.505 3.880 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293720947 1031589996 /nfs/dbraw/zinc/58/99/96/1031589996.db2.gz TZPUKXHGCGYIHO-QGZVFWFLSA-N 2 0 304.478 3.569 20 0 DHADRP COc1cc(Cl)cc(C[N@H+](C(C)C)C2CCN(C)CC2)c1 ZINC001144494947 1031644361 /nfs/dbraw/zinc/64/43/61/1031644361.db2.gz HRCPCWOINAIIOJ-UHFFFAOYSA-N 2 0 310.869 3.653 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000361061654 1031701546 /nfs/dbraw/zinc/70/15/46/1031701546.db2.gz UJXRENRPKLOBDL-OXJNMPFZSA-N 2 0 316.489 3.783 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000930145970 1031715196 /nfs/dbraw/zinc/71/51/96/1031715196.db2.gz OOOGGAOSASVVML-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202180 1031758239 /nfs/dbraw/zinc/75/82/39/1031758239.db2.gz MGHBIPAKRZAYAF-GFCCVEGCSA-N 2 0 304.434 3.726 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202437 1031758354 /nfs/dbraw/zinc/75/83/54/1031758354.db2.gz RKEVWXLLLURDHP-NSHDSACASA-N 2 0 322.424 3.865 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000361150578 1031759919 /nfs/dbraw/zinc/75/99/19/1031759919.db2.gz BNRAIVBAEWSQFZ-IBGZPJMESA-N 2 0 316.489 3.920 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c(C)s1 ZINC000873211915 1031760759 /nfs/dbraw/zinc/76/07/59/1031760759.db2.gz HBEIRQHYASJUFB-NSHDSACASA-N 2 0 306.500 3.923 20 0 DHADRP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210322 1031761424 /nfs/dbraw/zinc/76/14/24/1031761424.db2.gz BYTHIOKGPDFNJS-MFKMUULPSA-N 2 0 318.408 3.557 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000873219898 1031763593 /nfs/dbraw/zinc/76/35/93/1031763593.db2.gz GZJZOIPGFAMJEU-VIFPVBQESA-N 2 0 305.224 3.610 20 0 DHADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000873223709 1031763942 /nfs/dbraw/zinc/76/39/42/1031763942.db2.gz RDTKNBKZWNXJKE-OAQYLSRUSA-N 2 0 323.484 3.946 20 0 DHADRP c1ccc2c(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)ccnc2c1 ZINC000873232307 1031767965 /nfs/dbraw/zinc/76/79/65/1031767965.db2.gz DZBCFXDWAPNNBZ-IBGZPJMESA-N 2 0 309.457 3.637 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1OC ZINC000873237945 1031770315 /nfs/dbraw/zinc/77/03/15/1031770315.db2.gz SNNFLTRXEYUCMF-LJQANCHMSA-N 2 0 310.441 3.582 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000873238353 1031770407 /nfs/dbraw/zinc/77/04/07/1031770407.db2.gz XLZAXIVHTBDABQ-HNNXBMFYSA-N 2 0 310.441 3.582 20 0 DHADRP CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000873249475 1031772032 /nfs/dbraw/zinc/77/20/32/1031772032.db2.gz AHKTXDXHJAJIHV-GLQYFDAESA-N 2 0 300.368 3.874 20 0 DHADRP CCC(CC)(C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(F)(F)F ZINC000873247328 1031773414 /nfs/dbraw/zinc/77/34/14/1031773414.db2.gz KXRWJWNKAIDYLT-NSHDSACASA-N 2 0 317.399 3.868 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254586 1031774751 /nfs/dbraw/zinc/77/47/51/1031774751.db2.gz XNLBMVDPRWINQP-GDLCADMTSA-N 2 0 301.261 3.641 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c(OCCC)c1 ZINC000873254327 1031775764 /nfs/dbraw/zinc/77/57/64/1031775764.db2.gz QQXJABUQBOUFEW-HRCADAONSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000873259469 1031776585 /nfs/dbraw/zinc/77/65/85/1031776585.db2.gz FMMVKNFWCCIVSW-YIYPIFLZSA-N 2 0 323.278 3.630 20 0 DHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873258323 1031776880 /nfs/dbraw/zinc/77/68/80/1031776880.db2.gz NXKCGZWSWJYAFA-IIDMSEBBSA-N 2 0 310.441 3.750 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000873259468 1031777572 /nfs/dbraw/zinc/77/75/72/1031777572.db2.gz FMMVKNFWCCIVSW-FQUUOJAGSA-N 2 0 323.278 3.630 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260744 1031780426 /nfs/dbraw/zinc/78/04/26/1031780426.db2.gz GWCSYCWMOLOXQS-QTMHVTGLSA-N 2 0 313.489 3.536 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)C1CC[NH2+]CC1 ZINC000873271583 1031785228 /nfs/dbraw/zinc/78/52/28/1031785228.db2.gz IWHCXFGNHMDLKF-LRDDRELGSA-N 2 0 308.853 3.531 20 0 DHADRP C[C@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)C1CC[NH2+]CC1 ZINC000873271902 1031785287 /nfs/dbraw/zinc/78/52/87/1031785287.db2.gz LTSLWRLERAIJFB-NHYWBVRUSA-N 2 0 310.894 3.855 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc3cnccc3o2)cc1 ZINC000845969510 1031786865 /nfs/dbraw/zinc/78/68/65/1031786865.db2.gz FITMRIVPSGELMS-UHFFFAOYSA-N 2 0 309.413 3.521 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000873289942 1031789013 /nfs/dbraw/zinc/78/90/13/1031789013.db2.gz MMYJFSHYJRNFLH-IAGOWNOFSA-N 2 0 322.880 3.539 20 0 DHADRP CC(C)CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccoc1 ZINC000873293630 1031792331 /nfs/dbraw/zinc/79/23/31/1031792331.db2.gz OKOVDJHGZFHRSG-QZTJIDSGSA-N 2 0 320.477 3.505 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000561314219 1031815806 /nfs/dbraw/zinc/81/58/06/1031815806.db2.gz FTDAFWMGKKSTSP-XLNTUCKNSA-N 2 0 316.489 3.651 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000561314220 1031817159 /nfs/dbraw/zinc/81/71/59/1031817159.db2.gz FTDAFWMGKKSTSP-XWPNQZOQSA-N 2 0 316.489 3.651 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000561396185 1031877028 /nfs/dbraw/zinc/87/70/28/1031877028.db2.gz VPZQETGYKDNBPV-RBUKOAKNSA-N 2 0 311.473 3.961 20 0 DHADRP CC(C)(C)Oc1cccc(CN2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897977375 1031908035 /nfs/dbraw/zinc/90/80/35/1031908035.db2.gz FELRVBZVTGUSRY-UHFFFAOYSA-N 2 0 316.489 3.970 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981416 1031911610 /nfs/dbraw/zinc/91/16/10/1031911610.db2.gz MBJOLFGEUIKGPM-OAHLLOKOSA-N 2 0 304.453 3.753 20 0 DHADRP Cc1ccc(C)c([C@H]2C[N@H+](CCCCCC[NH3+])[C@H](C)CO2)c1 ZINC000846219333 1031933455 /nfs/dbraw/zinc/93/34/55/1031933455.db2.gz OQMJUSYOBDLJRK-IEBWSBKVSA-N 2 0 304.478 3.584 20 0 DHADRP CC[N@H+](CCCCCC[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000846221218 1031933776 /nfs/dbraw/zinc/93/37/76/1031933776.db2.gz INHBMCKESKFTSX-UYAOXDASSA-N 2 0 317.521 3.663 20 0 DHADRP CSCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361675658 1032047588 /nfs/dbraw/zinc/04/75/88/1032047588.db2.gz NNYBTLMJNMRCEJ-OALUTQOASA-N 2 0 318.530 3.726 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000044515695 1032051653 /nfs/dbraw/zinc/05/16/53/1032051653.db2.gz WFCMFAUAMLTVBX-GFCCVEGCSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044534135 1032055071 /nfs/dbraw/zinc/05/50/71/1032055071.db2.gz IYNDTNVUOSHBPF-NEPJUHHUSA-N 2 0 301.261 3.986 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172716442 1033323181 /nfs/dbraw/zinc/32/31/81/1033323181.db2.gz PZNHPZLUFMBORH-RDTXWAMCSA-N 2 0 306.881 3.648 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708850 1033343303 /nfs/dbraw/zinc/34/33/03/1033343303.db2.gz GHKGMQASEVQVCI-MRXNPFEDSA-N 2 0 306.881 3.788 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C[C@](C)(C[NH3+])C1 ZINC001172709758 1033344115 /nfs/dbraw/zinc/34/41/15/1033344115.db2.gz FFVBJRSKKNKEIB-LNLFQRSKSA-N 2 0 320.908 3.941 20 0 DHADRP C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000927030384 1033349728 /nfs/dbraw/zinc/34/97/28/1033349728.db2.gz IHEGGLHQKRFENY-VYDXJSESSA-N 2 0 322.518 3.562 20 0 DHADRP CC(C)[N@H+]([C@@H]1Cc2ccc(Cl)cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172713514 1033349812 /nfs/dbraw/zinc/34/98/12/1033349812.db2.gz VYAJJKDBBCRDRU-KZNAEPCWSA-N 2 0 306.881 3.788 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172713485 1033350524 /nfs/dbraw/zinc/35/05/24/1033350524.db2.gz VITGIRUYIVWGSX-GUDVDZBRSA-N 2 0 318.892 3.789 20 0 DHADRP C[N@H+](C1CCC([NH3+])CC1)C1CCC(Cc2ccccc2)CC1 ZINC001172818683 1033381007 /nfs/dbraw/zinc/38/10/07/1033381007.db2.gz POKURYWRCHTQDW-UHFFFAOYSA-N 2 0 300.490 3.990 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172827171 1033390276 /nfs/dbraw/zinc/39/02/76/1033390276.db2.gz AZIMSWNTMGIXME-UFYCRDLUSA-N 2 0 300.490 3.833 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172828621 1033393427 /nfs/dbraw/zinc/39/34/27/1033393427.db2.gz NTQWFVJBYRTYGW-HMXCVIKNSA-N 2 0 312.501 3.977 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877653588 1033397138 /nfs/dbraw/zinc/39/71/38/1033397138.db2.gz OBMRGBFTFAWNKC-GFCCVEGCSA-N 2 0 323.893 3.771 20 0 DHADRP Cc1ccc2c(c1)C[C@H](n1cc(CC[NH3+])c3c[nH+]ccc31)CC2 ZINC001172832299 1033396899 /nfs/dbraw/zinc/39/68/99/1033396899.db2.gz SFNBKDYVLWHZNF-GOSISDBHSA-N 2 0 305.425 3.576 20 0 DHADRP FC(F)C1CC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000877698011 1033412514 /nfs/dbraw/zinc/41/25/14/1033412514.db2.gz UHEGNDNHFWCFIQ-UHFFFAOYSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000877697930 1033412819 /nfs/dbraw/zinc/41/28/19/1033412819.db2.gz SCTXAKWFCWXLRN-MAUKXSAKSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C(C)(C)CC[NH+](C)C ZINC001172842081 1033413263 /nfs/dbraw/zinc/41/32/63/1033413263.db2.gz OLVHXHGDWDHPNP-LBPRGKRZSA-N 2 0 300.849 3.730 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000927038118 1033415259 /nfs/dbraw/zinc/41/52/59/1033415259.db2.gz MXCLILZDZRWHFZ-AVAKVYKDSA-N 2 0 302.437 3.810 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCCCCC[NH3+] ZINC001172850863 1033419952 /nfs/dbraw/zinc/41/99/52/1033419952.db2.gz DHBPQOWXVYFLHU-ZDUSSCGKSA-N 2 0 300.849 3.909 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCSCC2)(c2ccccc2)CC1 ZINC000877718956 1033421257 /nfs/dbraw/zinc/42/12/57/1033421257.db2.gz ZLCPAYJJXGAUPJ-GOSISDBHSA-N 2 0 318.530 3.525 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001172848720 1033421749 /nfs/dbraw/zinc/42/17/49/1033421749.db2.gz WEPFRJUFGQNQPM-ZDUSSCGKSA-N 2 0 324.871 3.874 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC001172871906 1033442372 /nfs/dbraw/zinc/44/23/72/1033442372.db2.gz RFQIKVKXOWUSGW-AWEZNQCLSA-N 2 0 312.910 3.896 20 0 DHADRP CN(C)c1cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC001212688985 1033455330 /nfs/dbraw/zinc/45/53/30/1033455330.db2.gz FTSXRTHAQFIIOV-UHFFFAOYSA-N 2 0 310.445 3.700 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535450 1033465373 /nfs/dbraw/zinc/46/53/73/1033465373.db2.gz MOBKZHUXICSEQV-HOCLYGCPSA-N 2 0 324.921 3.942 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C(c1ccccc1)c1ccccc1 ZINC000643536797 1033469583 /nfs/dbraw/zinc/46/95/83/1033469583.db2.gz WOFCQRVINOEVHP-FXAWDEMLSA-N 2 0 320.480 3.939 20 0 DHADRP Fc1ccccc1C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000643536254 1033473895 /nfs/dbraw/zinc/47/38/95/1033473895.db2.gz PFNZYRIZFSCDFT-WOJBJXKFSA-N 2 0 324.443 3.841 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536330 1033474141 /nfs/dbraw/zinc/47/41/41/1033474141.db2.gz SXHYKOATXAHZBN-IRXDYDNUSA-N 2 0 304.503 3.535 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536382 1033474454 /nfs/dbraw/zinc/47/44/54/1033474454.db2.gz QAQOXTJRLFMORX-ZWKOTPCHSA-N 2 0 309.457 3.585 20 0 DHADRP Cc1csc2sc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c(C)c12 ZINC001206185007 1033486417 /nfs/dbraw/zinc/48/64/17/1033486417.db2.gz KKWCLVDCJAQGAE-NWDGAFQWSA-N 2 0 312.479 3.841 20 0 DHADRP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3CCC[C@H](OC)C3)CC2)CC1 ZINC001172950287 1033492026 /nfs/dbraw/zinc/49/20/26/1033492026.db2.gz MFRKNZKSAZKUFW-UXHICEINSA-N 2 0 322.537 3.778 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC001173039147 1033506084 /nfs/dbraw/zinc/50/60/84/1033506084.db2.gz FGBQTWRZFYZBPR-UHFFFAOYSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(C)o1 ZINC000062424475 1033508769 /nfs/dbraw/zinc/50/87/69/1033508769.db2.gz LVAWUVQZMKEHOL-HNNXBMFYSA-N 2 0 316.445 3.688 20 0 DHADRP CCCOC1CCC([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001173093417 1033523962 /nfs/dbraw/zinc/52/39/62/1033523962.db2.gz FQLSFVLLMVYCJN-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000927071816 1033525552 /nfs/dbraw/zinc/52/55/52/1033525552.db2.gz VDRXRNYKEIENQI-KXBFYZLASA-N 2 0 314.477 3.530 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001173103275 1033539943 /nfs/dbraw/zinc/53/99/43/1033539943.db2.gz HBZTVRYZTBOVFX-ABHNRTSZSA-N 2 0 324.896 3.616 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001173102112 1033540030 /nfs/dbraw/zinc/54/00/30/1033540030.db2.gz SIDNFSXTKCKGSZ-UHFFFAOYSA-N 3 0 309.542 3.623 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCc2cccc(OC)c2)CC1 ZINC001173101273 1033541018 /nfs/dbraw/zinc/54/10/18/1033541018.db2.gz FFKVVAXDUSWCDL-UHFFFAOYSA-N 2 0 318.505 3.870 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)Cc2ccccn2)CC1 ZINC001173106079 1033542849 /nfs/dbraw/zinc/54/28/49/1033542849.db2.gz GTTNYGMIJLCLQY-UHFFFAOYSA-N 2 0 303.494 3.645 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001173104826 1033542894 /nfs/dbraw/zinc/54/28/94/1033542894.db2.gz XALPYGLXQANWQA-WZOJCFFYSA-N 2 0 304.453 3.924 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3ccc(F)cc3C2)CC1 ZINC001173105764 1033543363 /nfs/dbraw/zinc/54/33/63/1033543363.db2.gz DNPUVXKHJUFFFL-IOJLRTSASA-N 2 0 318.480 3.926 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001173104824 1033543420 /nfs/dbraw/zinc/54/34/20/1033543420.db2.gz XALPYGLXQANWQA-CSODTCANSA-N 2 0 304.453 3.924 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc3ncoc32)CC1 ZINC001173107941 1033545318 /nfs/dbraw/zinc/54/53/18/1033545318.db2.gz UGCCKRODTRHJMA-UHFFFAOYSA-N 2 0 301.434 3.570 20 0 DHADRP CC[NH+](CC)C1CCC(n2ccc3cc(CC[NH3+])ccc32)CC1 ZINC001173106822 1033545348 /nfs/dbraw/zinc/54/53/48/1033545348.db2.gz DPUJHACPSGHJAF-UHFFFAOYSA-N 2 0 313.489 3.968 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC001173107490 1033546190 /nfs/dbraw/zinc/54/61/90/1033546190.db2.gz UKFRZCREJJPURP-QPIRBTGLSA-N 2 0 321.553 3.636 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC001173108979 1033546356 /nfs/dbraw/zinc/54/63/56/1033546356.db2.gz UURFNLQOCMQPCQ-JMLCCBQJSA-N 2 0 302.462 3.622 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001173113695 1033548233 /nfs/dbraw/zinc/54/82/33/1033548233.db2.gz BXSAASWZLVFWDU-GPANFISMSA-N 2 0 307.507 3.933 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCOc3ccccc3C2)CC1 ZINC001173112024 1033548777 /nfs/dbraw/zinc/54/87/77/1033548777.db2.gz OZRDCWVQIKJEBZ-UHFFFAOYSA-N 2 0 302.462 3.534 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001173112535 1033549215 /nfs/dbraw/zinc/54/92/15/1033549215.db2.gz XJDSSEPZKYSUJA-VIQWUECVSA-N 2 0 301.478 3.524 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001173115215 1033549510 /nfs/dbraw/zinc/54/95/10/1033549510.db2.gz ZIASJOGTACPWJS-VIQWUECVSA-N 2 0 315.505 3.914 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCC2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173129049 1033558693 /nfs/dbraw/zinc/55/86/93/1033558693.db2.gz FXENZNHTGBGTGS-BPUTZDHNSA-N 2 0 319.518 3.515 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878033891 1033561698 /nfs/dbraw/zinc/56/16/98/1033561698.db2.gz BEQFPDSXMGNBHE-VQTJNVASSA-N 2 0 316.489 3.711 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nc1Cl ZINC000878046874 1033563724 /nfs/dbraw/zinc/56/37/24/1033563724.db2.gz BXJLMNVPUYOGEK-UHFFFAOYSA-N 2 0 309.885 3.596 20 0 DHADRP COc1cccc2c1C[C@H]([NH2+]CC[PH+](C(C)C)C(C)C)CO2 ZINC001173160199 1033575919 /nfs/dbraw/zinc/57/59/19/1033575919.db2.gz KEFQMVNDQSWBGT-HNNXBMFYSA-N 2 0 323.417 3.887 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC001173253407 1033624569 /nfs/dbraw/zinc/62/45/69/1033624569.db2.gz TUUAVDJXVOEKLG-PBPGXSGUSA-N 2 0 302.506 3.890 20 0 DHADRP CC[C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269747 1033639844 /nfs/dbraw/zinc/63/98/44/1033639844.db2.gz KWOSZKCTXHDMLJ-WNHJNPCNSA-N 2 0 301.478 3.732 20 0 DHADRP CCc1ccc(C[C@H](C)[NH+]2CCC([NH3+])(CC3CC3)CC2)cc1 ZINC001173237343 1033645322 /nfs/dbraw/zinc/64/53/22/1033645322.db2.gz BBSDSVLWAAIUEO-INIZCTEOSA-N 2 0 300.490 3.773 20 0 DHADRP CCc1ccc(C[C@H](C)n2cc(CC[NH3+])c3c[nH+]ccc32)cc1 ZINC001173242002 1033650751 /nfs/dbraw/zinc/65/07/51/1033650751.db2.gz RTQRGAICYTZPKS-HNNXBMFYSA-N 2 0 307.441 3.904 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)C1 ZINC001173277962 1033669510 /nfs/dbraw/zinc/66/95/10/1033669510.db2.gz WDALEPAQTVWQML-XWATYHNTSA-N 2 0 320.461 3.701 20 0 DHADRP CCCC[C@@H]([NH3+])Cc1cn([C@@H]2CC[N@H+](CC)C2)c2ccccc12 ZINC001173352942 1033710653 /nfs/dbraw/zinc/71/06/53/1033710653.db2.gz GXEZUHXOMFSHBC-QZTJIDSGSA-N 2 0 313.489 3.968 20 0 DHADRP CC[N@@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3c2cccc3F)C1 ZINC001173369402 1033720368 /nfs/dbraw/zinc/72/03/68/1033720368.db2.gz VOKZDNZOWPRYLV-OAHLLOKOSA-N 2 0 315.436 3.514 20 0 DHADRP CCC[N@@H+]1CC[C@H](CN[C@H](c2cc(F)ccc2F)C(C)C)C1 ZINC000479341904 1033730751 /nfs/dbraw/zinc/73/07/51/1033730751.db2.gz GNRIXODELMYONK-KDOFPFPSSA-N 2 0 310.432 3.983 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173470931 1033755297 /nfs/dbraw/zinc/75/52/97/1033755297.db2.gz BZHJLVASKZGUGZ-ZDUSSCGKSA-N 2 0 310.432 3.532 20 0 DHADRP FC(F)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000479455142 1033762653 /nfs/dbraw/zinc/76/26/53/1033762653.db2.gz RDHRXHBIMGXABM-OSYLJGHBSA-N 2 0 320.427 3.817 20 0 DHADRP CC1(C)CCC[C@H](CN2CCC([NH2+]Cc3ccccc3)CC2)O1 ZINC000878668465 1033790381 /nfs/dbraw/zinc/79/03/81/1033790381.db2.gz WVVPUNXDIYRACT-LJQANCHMSA-N 2 0 316.489 3.588 20 0 DHADRP Cc1cccc(C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CC2)c1 ZINC000479515127 1033794674 /nfs/dbraw/zinc/79/46/74/1033794674.db2.gz RPRIGASJCCZXRB-XVAXZDLZSA-N 2 0 312.501 3.923 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(CC)CC ZINC000479545025 1033803036 /nfs/dbraw/zinc/80/30/36/1033803036.db2.gz OHAPZFJEUWHHSH-FOIPXRHGSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173685073 1033827252 /nfs/dbraw/zinc/82/72/52/1033827252.db2.gz HEFJYFFMAZQDNV-OBXNSHGQSA-N 2 0 312.501 3.887 20 0 DHADRP Cc1nccn1CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687438 1033830706 /nfs/dbraw/zinc/83/07/06/1033830706.db2.gz NBMXVLMOXDYKGZ-UHFFFAOYSA-N 2 0 309.457 3.608 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554073840 1033944469 /nfs/dbraw/zinc/94/44/69/1033944469.db2.gz RULLVHWFMVCPQW-GDBMZVCRSA-N 2 0 318.427 3.819 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc3ccccc23)[C@H](C)C1 ZINC000174780875 1033956315 /nfs/dbraw/zinc/95/63/15/1033956315.db2.gz IWUQOYPFHQWHIA-QRWLVFNGSA-N 2 0 311.473 3.705 20 0 DHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250529 1033963795 /nfs/dbraw/zinc/96/37/95/1033963795.db2.gz HSQUSWOBMKYFQY-UHFFFAOYSA-N 2 0 315.505 3.821 20 0 DHADRP Cc1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480087852 1034056247 /nfs/dbraw/zinc/05/62/47/1034056247.db2.gz ZHWRZNRCDNWSRJ-FPOVZHCZSA-N 2 0 321.468 3.881 20 0 DHADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000863543178 1034124119 /nfs/dbraw/zinc/12/41/19/1034124119.db2.gz LNSQODOUSOVZEV-LEWSCRJBSA-N 2 0 300.418 3.792 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863544844 1034124169 /nfs/dbraw/zinc/12/41/69/1034124169.db2.gz CNQGTSCBYKSPQA-WFASDCNBSA-N 2 0 307.388 3.644 20 0 DHADRP CC(C)=CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000480310461 1034185521 /nfs/dbraw/zinc/18/55/21/1034185521.db2.gz SOHHWKORABILNH-UHFFFAOYSA-N 2 0 315.505 3.663 20 0 DHADRP C[C@H]([NH2+]Cc1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178024452 1034201596 /nfs/dbraw/zinc/20/15/96/1034201596.db2.gz JGDUVYAAMUDCFE-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c(C)c1 ZINC000667664322 1034207380 /nfs/dbraw/zinc/20/73/80/1034207380.db2.gz IIEPQYMDLYFUQZ-WMZOPIPTSA-N 2 0 304.478 3.698 20 0 DHADRP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c(C)c1 ZINC000667664320 1034208131 /nfs/dbraw/zinc/20/81/31/1034208131.db2.gz IIEPQYMDLYFUQZ-FUHWJXTLSA-N 2 0 304.478 3.698 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000178174106 1034214227 /nfs/dbraw/zinc/21/42/27/1034214227.db2.gz PSTOYSPTSCGUAN-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccncc3s2)C[C@@H]1C ZINC000667664811 1034216828 /nfs/dbraw/zinc/21/68/28/1034216828.db2.gz SXTCWELCGFXOIY-ZFWWWQNUSA-N 2 0 303.475 3.601 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCc2ccccc2)C1 ZINC000480552794 1034306331 /nfs/dbraw/zinc/30/63/31/1034306331.db2.gz IVITWVNSGPMPMU-FQEVSTJZSA-N 2 0 300.490 3.673 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000480603023 1034337657 /nfs/dbraw/zinc/33/76/57/1034337657.db2.gz RGWATPSWDORVMG-YLJYHZDGSA-N 2 0 318.505 3.679 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1F ZINC000480617460 1034351493 /nfs/dbraw/zinc/35/14/93/1034351493.db2.gz RBVWWCWPYDTLEY-INIZCTEOSA-N 2 0 322.468 3.997 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000554861813 1034371056 /nfs/dbraw/zinc/37/10/56/1034371056.db2.gz SCMOWONOLLDJSX-UONOGXRCSA-N 2 0 314.395 3.740 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCCCC1 ZINC000480679187 1034396523 /nfs/dbraw/zinc/39/65/23/1034396523.db2.gz JFSKJVNIHLWCEX-MJGOQNOKSA-N 2 0 322.537 3.968 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000480754285 1034436851 /nfs/dbraw/zinc/43/68/51/1034436851.db2.gz YIXMQQAPCVOJMB-LJQANCHMSA-N 2 0 306.494 3.678 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000554991380 1034450342 /nfs/dbraw/zinc/45/03/42/1034450342.db2.gz LQDIOTQPCSOHQO-HBFSDRIKSA-N 2 0 317.521 3.532 20 0 DHADRP Fc1ccc(CC2([NH2+]C3CC[NH+](CC4CC4)CC3)CCC2)cc1 ZINC001168364564 1034465308 /nfs/dbraw/zinc/46/53/08/1034465308.db2.gz FQBYBTRFAUODGY-UHFFFAOYSA-N 2 0 316.464 3.755 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000481024492 1034558061 /nfs/dbraw/zinc/55/80/61/1034558061.db2.gz OUEIZHRNTDOOGS-ICSRJNTNSA-N 2 0 300.490 3.638 20 0 DHADRP C[C@H](NCc1c(F)cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769252 1034570781 /nfs/dbraw/zinc/57/07/81/1034570781.db2.gz TWQCQJZEYYKTBG-UONOGXRCSA-N 2 0 308.416 3.707 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)c1 ZINC000667822179 1034600371 /nfs/dbraw/zinc/60/03/71/1034600371.db2.gz ZZIKWFUGDBIMAW-BPQIPLTHSA-N 2 0 304.503 3.738 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865450742 1034652786 /nfs/dbraw/zinc/65/27/86/1034652786.db2.gz FETQSSMLVLEKCF-UHFFFAOYSA-N 2 0 316.276 3.600 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481245735 1034684474 /nfs/dbraw/zinc/68/44/74/1034684474.db2.gz KFYHBPXEUCELSN-SJORKVTESA-N 2 0 302.462 3.634 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481249608 1034687903 /nfs/dbraw/zinc/68/79/03/1034687903.db2.gz IFEFQNNYRFHWIN-DLBZAZTESA-N 2 0 302.462 3.634 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481393213 1034809721 /nfs/dbraw/zinc/80/97/21/1034809721.db2.gz QWVNBQZBERLGRC-QFBILLFUSA-N 2 0 304.453 3.880 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000193010050 1034826846 /nfs/dbraw/zinc/82/68/46/1034826846.db2.gz CVUMAZVOTOFDSP-UHFFFAOYSA-N 2 0 324.877 3.632 20 0 DHADRP CCC(CC)(CC)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000667902802 1034879588 /nfs/dbraw/zinc/87/95/88/1034879588.db2.gz VRZZBTNQMIUUQP-MSOLQXFVSA-N 2 0 310.526 3.560 20 0 DHADRP Cc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)c1 ZINC000481939298 1035036167 /nfs/dbraw/zinc/03/61/67/1035036167.db2.gz JVEZHTOFWJVFAO-PKOBYXMFSA-N 2 0 300.490 3.879 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000482059493 1035052368 /nfs/dbraw/zinc/05/23/68/1035052368.db2.gz GHWNPSWFRLOCDH-UKYFPXCRSA-N 2 0 324.871 3.987 20 0 DHADRP COc1cccc(CCC[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC001175689126 1035084487 /nfs/dbraw/zinc/08/44/87/1035084487.db2.gz RKIFMAQYHSFNCS-UHFFFAOYSA-N 2 0 318.505 3.826 20 0 DHADRP CO[C@H](C[NH+]1CCC(C)([NH+]2CCCCC2)CC1)C1CCCC1 ZINC001175965443 1035168920 /nfs/dbraw/zinc/16/89/20/1035168920.db2.gz IAIISPZWKLSNGK-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000483057809 1035219428 /nfs/dbraw/zinc/21/94/28/1035219428.db2.gz OROVJDVBOXHRBW-IBGZPJMESA-N 2 0 318.505 3.736 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000483186436 1035240219 /nfs/dbraw/zinc/24/02/19/1035240219.db2.gz QGSUDRNXDUENLD-MSOLQXFVSA-N 2 0 304.478 3.639 20 0 DHADRP COC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000483299430 1035253866 /nfs/dbraw/zinc/25/38/66/1035253866.db2.gz UYCNRIFYFPMGPL-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP COc1ccc(Cl)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000483528743 1035276016 /nfs/dbraw/zinc/27/60/16/1035276016.db2.gz NNAZHKKUZKWQJD-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP CCC[C@@H](C)[C@H](CC)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000483520165 1035277355 /nfs/dbraw/zinc/27/73/55/1035277355.db2.gz SSZVNOICIMSYQO-MOPGFXCFSA-N 2 0 323.569 3.741 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1(c2ccccc2)CCCC1 ZINC000483833667 1035304271 /nfs/dbraw/zinc/30/42/71/1035304271.db2.gz JNCIAQSNAZRUCR-ZWKOTPCHSA-N 2 0 312.501 3.961 20 0 DHADRP Fc1cccc(CC2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168368531 1035316864 /nfs/dbraw/zinc/31/68/64/1035316864.db2.gz KMXBTAGHPSDEQV-UHFFFAOYSA-N 2 0 316.464 3.612 20 0 DHADRP C[N@@H+]1C[C@]23C[NH+](CCSC4CCCCC4)C[C@@]2(C1)CCCC3 ZINC001177009011 1035343393 /nfs/dbraw/zinc/34/33/93/1035343393.db2.gz VJFKOLHXERDXSM-KDURUIRLSA-N 2 0 322.562 3.860 20 0 DHADRP Cc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C2CC2)c1 ZINC000484476208 1035344459 /nfs/dbraw/zinc/34/44/59/1035344459.db2.gz VAQMQPZKZHIQLW-AABGKKOBSA-N 2 0 300.490 3.779 20 0 DHADRP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001177143499 1035352258 /nfs/dbraw/zinc/35/22/58/1035352258.db2.gz WNXBPLMSKABQKI-PMACEKPBSA-N 2 0 316.489 3.720 20 0 DHADRP CC[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000484495730 1035352605 /nfs/dbraw/zinc/35/26/05/1035352605.db2.gz GHCQUYUVWDJQMI-ACZWYYKOSA-N 2 0 300.490 3.921 20 0 DHADRP C[C@H]1Cc2cc(C[NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)ccc2O1 ZINC001177299077 1035360915 /nfs/dbraw/zinc/36/09/15/1035360915.db2.gz JZNCQSVGEAWTRU-IRXDYDNUSA-N 2 0 316.489 3.754 20 0 DHADRP Fc1c(Cl)cccc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC001177566161 1035381312 /nfs/dbraw/zinc/38/13/12/1035381312.db2.gz PFIURORKWRZZMW-UHFFFAOYSA-N 2 0 315.779 3.955 20 0 DHADRP Fc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1C(F)F ZINC000904351046 1035402674 /nfs/dbraw/zinc/40/26/74/1035402674.db2.gz UGHBFJPLSURUKI-AWEZNQCLSA-N 2 0 312.379 3.585 20 0 DHADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@H](O)c1ccc2ccccc2c1 ZINC000904360651 1035403774 /nfs/dbraw/zinc/40/37/74/1035403774.db2.gz NJGGNVUFJLCZPE-OALUTQOASA-N 2 0 314.473 3.616 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1C ZINC000904389754 1035407845 /nfs/dbraw/zinc/40/78/45/1035407845.db2.gz SWZPKDTWTHCGJN-ZDUSSCGKSA-N 2 0 316.470 3.562 20 0 DHADRP Cc1cccnc1[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000904470493 1035417914 /nfs/dbraw/zinc/41/79/14/1035417914.db2.gz YDHTWHOQOLJZCB-MMNRESRNSA-N 2 0 301.478 3.597 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSc2ccc(F)cc2)C[C@@H]1C ZINC000484922915 1035423060 /nfs/dbraw/zinc/42/30/60/1035423060.db2.gz SRIIWJGLBCCKCS-HOCLYGCPSA-N 2 0 310.482 3.722 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSc2ccc(F)cc2)C[C@@H]1C ZINC000484922914 1035423456 /nfs/dbraw/zinc/42/34/56/1035423456.db2.gz SRIIWJGLBCCKCS-GOEBONIOSA-N 2 0 310.482 3.722 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(SC)cc2)C[C@H]1C ZINC000484925125 1035423730 /nfs/dbraw/zinc/42/37/30/1035423730.db2.gz YQGFHWNOTJGDSK-HZPDHXFCSA-N 2 0 322.518 3.592 20 0 DHADRP C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001179147695 1035466420 /nfs/dbraw/zinc/46/64/20/1035466420.db2.gz JEKWAGWXYUQORN-DFQSSKMNSA-N 2 0 322.537 3.682 20 0 DHADRP c1cnc2cccc(C[NH2+]C[C@H]3CCN3C3CCCCC3)c2c1 ZINC001179168824 1035468119 /nfs/dbraw/zinc/46/81/19/1035468119.db2.gz KKWIRZCCOGOOEW-GOSISDBHSA-N 2 0 309.457 3.731 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000568781958 1035474418 /nfs/dbraw/zinc/47/44/18/1035474418.db2.gz BUWMEZXMCDDYGD-GJZGRUSLSA-N 2 0 323.278 3.688 20 0 DHADRP Cn1ccnc1C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256759 1035505095 /nfs/dbraw/zinc/50/50/95/1035505095.db2.gz YMYPSBKSTWXHTR-MRXNPFEDSA-N 2 0 317.864 3.571 20 0 DHADRP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001179878426 1035529911 /nfs/dbraw/zinc/52/99/11/1035529911.db2.gz QAPCTJDNJWJKDX-UXHICEINSA-N 2 0 300.490 3.905 20 0 DHADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC001180083418 1035589785 /nfs/dbraw/zinc/58/97/85/1035589785.db2.gz YWHFCIDROOAWAZ-QRVBRYPASA-N 2 0 310.526 3.636 20 0 DHADRP CCCC(CCC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001180310268 1035641009 /nfs/dbraw/zinc/64/10/09/1035641009.db2.gz BWAFLOBLPQSIIQ-FQEVSTJZSA-N 2 0 318.505 3.702 20 0 DHADRP C[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268410 1035674238 /nfs/dbraw/zinc/67/42/38/1035674238.db2.gz KQVMMPYFQJHJDC-QGZVFWFLSA-N 2 0 304.478 3.782 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)[C@H](C)C1 ZINC000191396851 1035689128 /nfs/dbraw/zinc/68/91/28/1035689128.db2.gz QYELLOAZGUVPFX-UZLBHIALSA-N 2 0 316.489 3.638 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+]CCC3CCCCC3)CC2)ccn1 ZINC000668512700 1035723410 /nfs/dbraw/zinc/72/34/10/1035723410.db2.gz PEYSLSOGRXCUHA-UHFFFAOYSA-N 2 0 315.505 3.854 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168467560 1035740124 /nfs/dbraw/zinc/74/01/24/1035740124.db2.gz ITXOSAGHCZOJNA-INIZCTEOSA-N 2 0 306.469 3.714 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000539510326 1035762989 /nfs/dbraw/zinc/76/29/89/1035762989.db2.gz WJZXLAAARWHONU-LJQANCHMSA-N 2 0 302.437 3.909 20 0 DHADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)cc1 ZINC000906159545 1035783272 /nfs/dbraw/zinc/78/32/72/1035783272.db2.gz SDAQTCRRYCQAOX-DNVCBOLYSA-N 2 0 322.456 3.552 20 0 DHADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000192570248 1035802434 /nfs/dbraw/zinc/80/24/34/1035802434.db2.gz QMSGVLLOBAHOLE-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001194133003 1035841070 /nfs/dbraw/zinc/84/10/70/1035841070.db2.gz OFFKAFROYSQKOH-XUVXKRRUSA-N 2 0 300.490 3.986 20 0 DHADRP COC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001181275755 1035879747 /nfs/dbraw/zinc/87/97/47/1035879747.db2.gz FWIBCZUWOPACHS-AVAKVYKDSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001181426954 1035907967 /nfs/dbraw/zinc/90/79/67/1035907967.db2.gz HUQSXRIKJGAWDN-OAHLLOKOSA-N 2 0 324.459 3.998 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000539949898 1035938198 /nfs/dbraw/zinc/93/81/98/1035938198.db2.gz FDOJRTIWDLAMSQ-ZWKOTPCHSA-N 2 0 310.526 3.683 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CCOCC1 ZINC000540144919 1035980129 /nfs/dbraw/zinc/98/01/29/1035980129.db2.gz ULVNVEKYSVJJSV-MHJFOBGBSA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000540159598 1035983627 /nfs/dbraw/zinc/98/36/27/1035983627.db2.gz ALBPBMRPBLOOMO-PKOBYXMFSA-N 2 0 300.490 3.719 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000540301567 1036035572 /nfs/dbraw/zinc/03/55/72/1036035572.db2.gz LOBWLLXZNSREEB-IBGZPJMESA-N 2 0 304.453 3.988 20 0 DHADRP Cc1nccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485903546 1036039416 /nfs/dbraw/zinc/03/94/16/1036039416.db2.gz FOWCIFXUHLYGBW-AQNXPRMDSA-N 2 0 309.457 3.850 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCC(C)C)c2)[C@@H](C)C1 ZINC000540481843 1036078435 /nfs/dbraw/zinc/07/84/35/1036078435.db2.gz NUPCPPRHPPCMRD-PXNSSMCTSA-N 2 0 318.505 3.884 20 0 DHADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000540596393 1036107690 /nfs/dbraw/zinc/10/76/90/1036107690.db2.gz UQSSHKUSNHJXKN-FGTMMUONSA-N 2 0 310.526 3.680 20 0 DHADRP CC[C@@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000540788011 1036157066 /nfs/dbraw/zinc/15/70/66/1036157066.db2.gz RWXODIOTWQNOPH-CRAIPNDOSA-N 2 0 316.493 3.603 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cl ZINC000540952986 1036201701 /nfs/dbraw/zinc/20/17/01/1036201701.db2.gz CQHUKEOPDYLLAQ-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP FC1(F)CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000540983705 1036206745 /nfs/dbraw/zinc/20/67/45/1036206745.db2.gz UZQSXMXVIFBNRG-HNNXBMFYSA-N 2 0 300.437 3.951 20 0 DHADRP CC1CC[NH+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486695707 1036359746 /nfs/dbraw/zinc/35/97/46/1036359746.db2.gz PFOPOASOSGKXMH-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP CCCCCCc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)s1 ZINC001205735115 1036381290 /nfs/dbraw/zinc/38/12/90/1036381290.db2.gz KCGRMIJIDSTTSC-SFHVURJKSA-N 2 0 324.534 3.547 20 0 DHADRP CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC001195985151 1036401456 /nfs/dbraw/zinc/40/14/56/1036401456.db2.gz CZJYIOJSJRIGRR-UXHICEINSA-N 2 0 300.490 3.958 20 0 DHADRP CC[N@H+](C)C[C@@H]1CCN(CCOc2cccc(C(C)(C)C)c2)C1 ZINC000464789759 1036453329 /nfs/dbraw/zinc/45/33/29/1036453329.db2.gz OLTYOPBQUMXAIT-KRWDZBQOSA-N 2 0 318.505 3.637 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)(c2ccccc2)CC1 ZINC001183354946 1036570073 /nfs/dbraw/zinc/57/00/73/1036570073.db2.gz JDMSYQKARWKMJK-YSIASYRMSA-N 2 0 312.501 3.818 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001196623718 1036583109 /nfs/dbraw/zinc/58/31/09/1036583109.db2.gz UHCTUKJJQGZXGA-SLFFLAALSA-N 2 0 316.489 3.528 20 0 DHADRP C[NH+]1C[C@@]2(C)CN(CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC001196632045 1036583662 /nfs/dbraw/zinc/58/36/62/1036583662.db2.gz LMTYUCXSVUWBEV-ROUUACIJSA-N 2 0 306.881 3.546 20 0 DHADRP Cc1ccc(CCC[NH2+]C[C@@H]2CCN2C2CCCCCC2)cn1 ZINC001183379642 1036589946 /nfs/dbraw/zinc/58/99/46/1036589946.db2.gz QBOOROAQOPSMIR-FQEVSTJZSA-N 2 0 315.505 3.709 20 0 DHADRP Clc1ccc([C@H]2C[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372649 1036645871 /nfs/dbraw/zinc/64/58/71/1036645871.db2.gz ZUEDLCSYYBNZIP-MSOLQXFVSA-N 2 0 304.865 3.660 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000487549842 1036680259 /nfs/dbraw/zinc/68/02/59/1036680259.db2.gz IWRQDQXWBGAFNK-QRQLOZEOSA-N 2 0 318.530 3.630 20 0 DHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000668783736 1036693192 /nfs/dbraw/zinc/69/31/92/1036693192.db2.gz UPICGDPTKMYRQF-DLBZAZTESA-N 2 0 310.551 3.618 20 0 DHADRP CC1(c2ccccc2)CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000668783805 1036693273 /nfs/dbraw/zinc/69/32/73/1036693273.db2.gz VLEGOSDKCFUSAF-UHFFFAOYSA-N 2 0 312.501 3.818 20 0 DHADRP CC(C)C[N@H+](CCO[C@@H]1CCCC[C@@H]1C)CC1CC[NH+](C)CC1 ZINC001197194705 1036705471 /nfs/dbraw/zinc/70/54/71/1036705471.db2.gz SULNNBLEUWEILK-AZUAARDMSA-N 2 0 324.553 3.882 20 0 DHADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C)(c4ccccc4)CC3)[C@H]2C1 ZINC001184386682 1036825090 /nfs/dbraw/zinc/82/50/90/1036825090.db2.gz CPMDVTHAKXVXKA-IUOOZTADSA-N 2 0 312.501 3.817 20 0 DHADRP CCCCC[C@H](C)[NH2+]CCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001184417318 1036839386 /nfs/dbraw/zinc/83/93/86/1036839386.db2.gz AKMOSCLTAIWUFC-SFHVURJKSA-N 2 0 317.521 3.539 20 0 DHADRP CC(C)CSCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492602032 1036939555 /nfs/dbraw/zinc/93/95/55/1036939555.db2.gz NLCFWZKROXCHHC-HKUYNNGSSA-N 2 0 320.546 3.876 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000236827078 1036979464 /nfs/dbraw/zinc/97/94/64/1036979464.db2.gz XUXKBLFCXCTHLL-GOSISDBHSA-N 2 0 310.441 3.910 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488424287 1037005921 /nfs/dbraw/zinc/00/59/21/1037005921.db2.gz CMHMAQDILBMYHO-MHORFTMASA-N 2 0 312.567 3.864 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[N@@H+]([C@@H]4C[C@@H]4C)C[C@H](C)C3)c2c1 ZINC000488747200 1037126155 /nfs/dbraw/zinc/12/61/55/1037126155.db2.gz ITIBSROSDVGLLK-GQIGUUNPSA-N 2 0 309.457 3.710 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)c2c1 ZINC000488745862 1037127062 /nfs/dbraw/zinc/12/70/62/1037127062.db2.gz FAALBDJRLWDWPY-INIZCTEOSA-N 2 0 309.457 3.854 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000309663162 1037169771 /nfs/dbraw/zinc/16/97/71/1037169771.db2.gz NJRVJOUYJOLLOJ-NRFANRHFSA-N 2 0 308.469 3.915 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCCS3)CC2)cc1 ZINC000317069582 1037174403 /nfs/dbraw/zinc/17/44/03/1037174403.db2.gz MZOSCLDFZYONHQ-IBGZPJMESA-N 2 0 318.530 3.569 20 0 DHADRP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1C(C)(C)C ZINC001199038729 1037186561 /nfs/dbraw/zinc/18/65/61/1037186561.db2.gz ZCVQOKREXOCCCL-UHFFFAOYSA-N 2 0 318.505 3.958 20 0 DHADRP c1nc(C2CCCCC2)sc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666902425 1037194537 /nfs/dbraw/zinc/19/45/37/1037194537.db2.gz SKJZNZVBLRSGHV-HNNXBMFYSA-N 2 0 307.507 3.813 20 0 DHADRP CCC(CC)[C@@H](C[NH2+]C1CCC(COC)CC1)[NH+]1CCCC1 ZINC001199144132 1037205894 /nfs/dbraw/zinc/20/58/94/1037205894.db2.gz NLEDPLJXAFYMEG-NKELODKYSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](C)CCc2ccccc2)CC1 ZINC001199144225 1037206138 /nfs/dbraw/zinc/20/61/38/1037206138.db2.gz OOMXIFQRAONRKU-GOSISDBHSA-N 2 0 302.506 3.965 20 0 DHADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC001199344320 1037241920 /nfs/dbraw/zinc/24/19/20/1037241920.db2.gz FWWQKRIHCWBXQI-INIZCTEOSA-N 2 0 304.478 3.605 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc2ccccc2n1C ZINC001199336404 1037242807 /nfs/dbraw/zinc/24/28/07/1037242807.db2.gz NUZNCYTUILIUNL-KRWDZBQOSA-N 2 0 313.489 3.923 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC001199329134 1037245509 /nfs/dbraw/zinc/24/55/09/1037245509.db2.gz NWNJZAMXHYSEKX-QZJSNOFBSA-N 2 0 304.453 3.797 20 0 DHADRP C[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001199413408 1037259609 /nfs/dbraw/zinc/25/96/09/1037259609.db2.gz NXCLXIFNOYZQKS-QGZVFWFLSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000493226944 1037272723 /nfs/dbraw/zinc/27/27/23/1037272723.db2.gz JAWJMEPVBDAYKR-UHFFFAOYSA-N 2 0 310.526 3.680 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001199758698 1037332320 /nfs/dbraw/zinc/33/23/20/1037332320.db2.gz ALILHHRPZIIKJK-ZJPYXAASSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC001199923728 1037372773 /nfs/dbraw/zinc/37/27/73/1037372773.db2.gz AGZBSDNZVXNTFM-PMACEKPBSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001200942420 1037482685 /nfs/dbraw/zinc/48/26/85/1037482685.db2.gz QZIJMTTUZGDIID-MISYRCLQSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000670266917 1037487239 /nfs/dbraw/zinc/48/72/39/1037487239.db2.gz HDTNDRPNXRTNLB-MJGOQNOKSA-N 2 0 302.506 3.823 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)C1 ZINC000489563303 1037488308 /nfs/dbraw/zinc/48/83/08/1037488308.db2.gz WEGSQNXCNRDWMA-VQIMIIECSA-N 2 0 316.489 3.955 20 0 DHADRP c1cc(OC2CCCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671302410 1037575167 /nfs/dbraw/zinc/57/51/67/1037575167.db2.gz OHTYLPGPSCKXFZ-ZWKOTPCHSA-N 2 0 314.473 3.724 20 0 DHADRP C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914158 1037577578 /nfs/dbraw/zinc/57/75/78/1037577578.db2.gz LHFHELSJPQMATD-UWVGGRQHSA-N 2 0 322.321 3.543 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205913724 1037577900 /nfs/dbraw/zinc/57/79/00/1037577900.db2.gz JGLYOAKBKMRDCJ-QWHCGFSZSA-N 2 0 300.368 3.573 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493881485 1037579420 /nfs/dbraw/zinc/57/94/20/1037579420.db2.gz DOQQJLRISMHYDM-MJGOQNOKSA-N 2 0 316.489 3.624 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000398052560 1037588532 /nfs/dbraw/zinc/58/85/32/1037588532.db2.gz YHXGBGSOZZSPFV-NJAFHUGGSA-N 2 0 322.443 3.922 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)CC3 ZINC000490121124 1037615075 /nfs/dbraw/zinc/61/50/75/1037615075.db2.gz YZVKRAGGMRTLEF-IPHXSNPTSA-N 2 0 323.484 3.550 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCCO[C@H]21 ZINC000776163529 1037633711 /nfs/dbraw/zinc/63/37/11/1037633711.db2.gz SWNWJOIUUQWEFL-CPLYBDICSA-N 2 0 320.521 3.577 20 0 DHADRP Cc1nc2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2s1 ZINC000494078736 1037641670 /nfs/dbraw/zinc/64/16/70/1037641670.db2.gz LPBVKZSCQCLFSV-HUUCEWRRSA-N 2 0 303.475 3.567 20 0 DHADRP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000490408231 1037703537 /nfs/dbraw/zinc/70/35/37/1037703537.db2.gz IEJZIZSDHLGNTG-MRXNPFEDSA-N 2 0 300.490 3.900 20 0 DHADRP CC[C@@H](C)C[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201503802 1037723630 /nfs/dbraw/zinc/72/36/30/1037723630.db2.gz RZRFNFKPVXIARH-OAHLLOKOSA-N 2 0 319.493 3.768 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201568122 1037783159 /nfs/dbraw/zinc/78/31/59/1037783159.db2.gz NRXYXJOHTNQPAL-IEBWSBKVSA-N 2 0 310.526 3.778 20 0 DHADRP c1ccc(CC[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001201606284 1037805714 /nfs/dbraw/zinc/80/57/14/1037805714.db2.gz VEBWWMFZODZOGL-UHFFFAOYSA-N 2 0 320.480 3.827 20 0 DHADRP CCC[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001201638838 1037806788 /nfs/dbraw/zinc/80/67/88/1037806788.db2.gz SRPRKKCABRGLEE-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP C[N@H+](CC1CCC(C(F)(F)F)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000185497461 1037807831 /nfs/dbraw/zinc/80/78/31/1037807831.db2.gz YXQYNRFSQRHQQX-SHARSMKWSA-N 2 0 306.416 3.629 20 0 DHADRP CC(C)[NH2+]C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185507110 1037812815 /nfs/dbraw/zinc/81/28/15/1037812815.db2.gz CELMQBDNSKWCRP-UHFFFAOYSA-N 2 0 306.416 3.818 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518932 1037815795 /nfs/dbraw/zinc/81/57/95/1037815795.db2.gz JESSWPLEZJCMTL-SHARSMKWSA-N 2 0 306.416 3.629 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3ccccc3C(F)F)cc[nH+]2)CC1 ZINC001201658858 1037838420 /nfs/dbraw/zinc/83/84/20/1037838420.db2.gz KQYDOMLZBRBYRA-UHFFFAOYSA-N 2 0 318.371 3.515 20 0 DHADRP c1ccc(CCC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001201663878 1037840654 /nfs/dbraw/zinc/84/06/54/1037840654.db2.gz NCOHDICJURIPBJ-HXUWFJFHSA-N 2 0 300.490 3.960 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000186110321 1037870770 /nfs/dbraw/zinc/87/07/70/1037870770.db2.gz ULDCZQNGQLSUIC-CABCVRRESA-N 2 0 310.507 3.919 20 0 DHADRP C[C@H]1CC2(CC([NH2+]C3CC[NH+](CC4CCCCC4)CC3)C2)CO1 ZINC000924857958 1037904051 /nfs/dbraw/zinc/90/40/51/1037904051.db2.gz WTLRBNUITMEZAK-DZIBYMRMSA-N 2 0 320.521 3.578 20 0 DHADRP CCN1CCC([N@H+](C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000125209195 1037927103 /nfs/dbraw/zinc/92/71/03/1037927103.db2.gz OESYTOMAZYBIKO-UHFFFAOYSA-N 2 0 312.457 3.765 20 0 DHADRP CC[NH+](CC)CCN1CC[NH+](CC[C@@H](C)CCC=C(C)C)CC1 ZINC001201974751 1037938328 /nfs/dbraw/zinc/93/83/28/1037938328.db2.gz DJOUZWGKVQDQRF-FQEVSTJZSA-N 2 0 323.569 3.718 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000125942767 1037987262 /nfs/dbraw/zinc/98/72/62/1037987262.db2.gz IPAZFQAAFHKDOA-QFBILLFUSA-N 2 0 318.530 3.727 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000494380208 1038081949 /nfs/dbraw/zinc/08/19/49/1038081949.db2.gz ZNHUDTMXXFLVHP-KRWDZBQOSA-N 2 0 318.505 3.681 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000126660486 1038085649 /nfs/dbraw/zinc/08/56/49/1038085649.db2.gz SXRJTWVREDJTEK-RTBURBONSA-N 2 0 310.441 3.565 20 0 DHADRP Cc1ccoc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571339659 1038129980 /nfs/dbraw/zinc/12/99/80/1038129980.db2.gz SOYAAEHULLXEDV-RTBURBONSA-N 2 0 310.441 3.542 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCOc2ccccc2C)CC1 ZINC000917068939 1038168456 /nfs/dbraw/zinc/16/84/56/1038168456.db2.gz DEICCUZYHGHYBV-UHFFFAOYSA-N 2 0 318.505 3.818 20 0 DHADRP [NH3+]C[C@]1(F)CCC[N@H+](CC2(c3ccccc3)CCCC2)CC1 ZINC001205545659 1038406946 /nfs/dbraw/zinc/40/69/46/1038406946.db2.gz LHVFEDNUPSBJGG-IBGZPJMESA-N 2 0 304.453 3.651 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc3C2)c1 ZINC001168399464 1038630630 /nfs/dbraw/zinc/63/06/30/1038630630.db2.gz BHWHULAYIUKIEN-HXUWFJFHSA-N 2 0 312.432 3.534 20 0 DHADRP CCCOc1ccc2c(c1)CCN(CCC[NH+](CC)CC)C2 ZINC001192379841 1038642749 /nfs/dbraw/zinc/64/27/49/1038642749.db2.gz ISTVSCKSPFTHTM-UHFFFAOYSA-N 2 0 304.478 3.565 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2cccc(Br)c21 ZINC000572951347 1038657952 /nfs/dbraw/zinc/65/79/52/1038657952.db2.gz FYUVKIBJKWCCIS-XHDPSFHLSA-N 2 0 323.278 3.587 20 0 DHADRP C[C@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)CC[C@H]1C[NH3+] ZINC001205603075 1038679464 /nfs/dbraw/zinc/67/94/64/1038679464.db2.gz NPHYHXPEBNCMBB-STQMWFEESA-N 2 0 315.288 3.843 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205605161 1038692863 /nfs/dbraw/zinc/69/28/63/1038692863.db2.gz ZLTVEJWMZZZBMI-VXGBXAGGSA-N 2 0 301.261 3.800 20 0 DHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1CC[NH+](C)CC1 ZINC000573254519 1038890600 /nfs/dbraw/zinc/89/06/00/1038890600.db2.gz KKYDRVRAPAADRH-SDNWHVSQSA-N 2 0 324.415 3.623 20 0 DHADRP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659943328 1039049020 /nfs/dbraw/zinc/04/90/20/1039049020.db2.gz BGTMEDLTQUZITF-RTBURBONSA-N 2 0 308.510 3.532 20 0 DHADRP CSC1(C[NH2+][C@@H](CC(C)C)c2ccncc2)CC[NH+](C)CC1 ZINC000592390282 1039187944 /nfs/dbraw/zinc/18/79/44/1039187944.db2.gz NZONSXZPWOWIJH-KRWDZBQOSA-N 2 0 321.534 3.586 20 0 DHADRP CSC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000574126957 1039408236 /nfs/dbraw/zinc/40/82/36/1039408236.db2.gz IZCGWAZBJKMHKL-KRWDZBQOSA-N 2 0 310.551 3.860 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168417912 1039476845 /nfs/dbraw/zinc/47/68/45/1039476845.db2.gz TWCHBBVZPCOJJQ-VAMGGRTRSA-N 2 0 316.464 3.665 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1F ZINC000658356277 1039691468 /nfs/dbraw/zinc/69/14/68/1039691468.db2.gz NETJGMJDVMHTQR-IBGZPJMESA-N 2 0 304.453 3.988 20 0 DHADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CSCCF)c1 ZINC000595010535 1040020559 /nfs/dbraw/zinc/02/05/59/1040020559.db2.gz XRRBLQZOTZSXTN-OAHLLOKOSA-N 2 0 312.498 3.708 20 0 DHADRP C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000608065784 1040365503 /nfs/dbraw/zinc/36/55/03/1040365503.db2.gz YXZYWUIQJPKCET-QFBILLFUSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1ccc(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000608578061 1040554764 /nfs/dbraw/zinc/55/47/64/1040554764.db2.gz LNDQMZAURQSGFB-JOCHJYFZSA-N 2 0 322.496 3.991 20 0 DHADRP C[N@H+](CCc1cccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400470 1040633968 /nfs/dbraw/zinc/63/39/68/1040633968.db2.gz CSOKKNXVZHPLJX-SFHVURJKSA-N 2 0 314.498 3.745 20 0 DHADRP CSC1(C[NH2+]C2CCC(=C3CCC3)CC2)CC[NH+](C)CC1 ZINC000602665880 1041149797 /nfs/dbraw/zinc/14/97/97/1041149797.db2.gz DJGZYOCZARFKQJ-UHFFFAOYSA-N 2 0 308.535 3.827 20 0 DHADRP COc1ccc2oc(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2c1 ZINC000092381387 185314642 /nfs/dbraw/zinc/31/46/42/185314642.db2.gz SBYBKNZDINFLCU-UHFFFAOYSA-N 2 0 316.445 3.605 20 0 DHADRP C[C@@H](c1ccccn1)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091703392 193094327 /nfs/dbraw/zinc/09/43/27/193094327.db2.gz OZOWJCZUYZHANI-VCVRMXLYSA-N 2 0 324.472 3.719 20 0 DHADRP C[C@@H](c1cccnc1)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093234367 193220295 /nfs/dbraw/zinc/22/02/95/193220295.db2.gz UDIBLNITAQSNPI-ZBKUBXTQSA-N 2 0 324.472 3.719 20 0 DHADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011059 193338407 /nfs/dbraw/zinc/33/84/07/193338407.db2.gz GHFSMBVMALAFCO-GFCCVEGCSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC000019905747 182163296 /nfs/dbraw/zinc/16/32/96/182163296.db2.gz NPOKKOJSPVJZPX-LBPRGKRZSA-N 2 0 313.283 3.688 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000020023794 182179941 /nfs/dbraw/zinc/17/99/41/182179941.db2.gz VKTBNAQNENPMGN-LBPRGKRZSA-N 2 0 302.384 3.944 20 0 DHADRP Fc1ccc(C2=CC[C@H]([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000272301331 130017752 /nfs/dbraw/zinc/01/77/52/130017752.db2.gz DHPUEERTRCHOBI-BEFAXECRSA-N 2 0 314.448 3.836 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274419161 130233781 /nfs/dbraw/zinc/23/37/81/130233781.db2.gz TWMXLHHSTSIGGM-CMKODMSKSA-N 2 0 323.484 3.951 20 0 DHADRP CSC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274978128 130278439 /nfs/dbraw/zinc/27/84/39/130278439.db2.gz YZDWAPHKRWPCCK-RDJZCZTQSA-N 2 0 306.519 3.628 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+](C)C ZINC000280999319 130831450 /nfs/dbraw/zinc/83/14/50/130831450.db2.gz XQILIDGFJXXADN-ZDUSSCGKSA-N 2 0 302.384 3.568 20 0 DHADRP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000284424588 131080114 /nfs/dbraw/zinc/08/01/14/131080114.db2.gz OVGCVSZJLGLTLT-IMFGXOCKSA-N 2 0 316.489 3.617 20 0 DHADRP FC(F)(F)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285538030 131178263 /nfs/dbraw/zinc/17/82/63/131178263.db2.gz LHIAVHOHHFJPDX-INIZCTEOSA-N 2 0 312.379 3.537 20 0 DHADRP CN(Cc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285642001 131188586 /nfs/dbraw/zinc/18/85/86/131188586.db2.gz XTIIKSVDXGQXBI-XYPWUTKMSA-N 2 0 323.278 3.506 20 0 DHADRP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000285853108 131206304 /nfs/dbraw/zinc/20/63/04/131206304.db2.gz XYJRYRZEUJZFNA-FGTMMUONSA-N 2 0 303.494 3.799 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340262304 131302521 /nfs/dbraw/zinc/30/25/21/131302521.db2.gz XFLBOQLHKGTRMZ-KXBFYZLASA-N 2 0 304.478 3.571 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1O ZINC000289515678 131392495 /nfs/dbraw/zinc/39/24/95/131392495.db2.gz ANHYRMGRBKFCPH-INIZCTEOSA-N 2 0 320.477 3.708 20 0 DHADRP CC1(C)CC([NH2+][C@@H]2CCCc3c(O)cccc32)CC(C)(C)[NH2+]1 ZINC000340471466 131846871 /nfs/dbraw/zinc/84/68/71/131846871.db2.gz WZMCHCLRCZUQKR-MRXNPFEDSA-N 2 0 302.462 3.668 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294748274 131857596 /nfs/dbraw/zinc/85/75/96/131857596.db2.gz LUOBNHAYHGKZAA-GOSISDBHSA-N 2 0 304.865 3.513 20 0 DHADRP Cc1oc2ccccc2c1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297322849 132009827 /nfs/dbraw/zinc/00/98/27/132009827.db2.gz CJRAWJDCRMQDFF-UHFFFAOYSA-N 2 0 321.424 3.895 20 0 DHADRP CCC[NH+]1CCC(NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000121757920 132158619 /nfs/dbraw/zinc/15/86/19/132158619.db2.gz RBEUEEOLPAUXKI-HXUWFJFHSA-N 2 0 317.521 3.534 20 0 DHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570927721 332842634 /nfs/dbraw/zinc/84/26/34/332842634.db2.gz HMTDZEQAOWFCBE-SFHVURJKSA-N 2 0 324.468 3.670 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccc(Cl)s2)CC[NH+](C)CC1 ZINC000580059858 332921087 /nfs/dbraw/zinc/92/10/87/332921087.db2.gz BNGFIRILXFAYDI-NSHDSACASA-N 2 0 318.939 3.880 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000556868750 331744834 /nfs/dbraw/zinc/74/48/34/331744834.db2.gz BVCRMDPRKQYKKF-UHFFFAOYSA-N 2 0 315.486 3.773 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3ccc4ccccc4c3)C2)C1 ZINC000559310720 332022972 /nfs/dbraw/zinc/02/29/72/332022972.db2.gz BYVGYMXGXQAYBP-NRFANRHFSA-N 2 0 308.469 3.800 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000409447914 332032997 /nfs/dbraw/zinc/03/29/97/332032997.db2.gz NGQMXYVUUYQMRO-MOPGFXCFSA-N 2 0 320.521 3.532 20 0 DHADRP Cc1ccc(C2(C[NH2+]C3CCN(C)CC3)CCCC2)c(C)c1 ZINC000559352630 332088435 /nfs/dbraw/zinc/08/84/35/332088435.db2.gz NISFVPZPZUVHFR-UHFFFAOYSA-N 2 0 300.490 3.799 20 0 DHADRP CCCOc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000092381237 332127879 /nfs/dbraw/zinc/12/78/79/332127879.db2.gz BSEWLVHWDYQOQO-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000449434301 332185831 /nfs/dbraw/zinc/18/58/31/332185831.db2.gz QKAHPWVFGIVIGS-ZFWWWQNUSA-N 2 0 306.416 3.962 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000448031544 332247710 /nfs/dbraw/zinc/24/77/10/332247710.db2.gz UWGAMARECDRXEW-GIYDNNGJSA-N 2 0 300.490 3.843 20 0 DHADRP Clc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000536499168 332253139 /nfs/dbraw/zinc/25/31/39/332253139.db2.gz VWNLMZXRZGNUHW-SQNIBIBYSA-N 2 0 304.865 3.934 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399461 332256205 /nfs/dbraw/zinc/25/62/05/332256205.db2.gz FIQLZMNKAVINJQ-AEFFLSMTSA-N 2 0 322.880 3.668 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233799 332267047 /nfs/dbraw/zinc/26/70/47/332267047.db2.gz SUWCHITZJSWSMN-HNAYVOBHSA-N 2 0 304.453 3.915 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233800 332267240 /nfs/dbraw/zinc/26/72/40/332267240.db2.gz SUWCHITZJSWSMN-KXBFYZLASA-N 2 0 304.453 3.915 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000261770193 332269072 /nfs/dbraw/zinc/26/90/72/332269072.db2.gz VXEDUSFASRYRAK-IAGOWNOFSA-N 2 0 304.478 3.567 20 0 DHADRP CN1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000559855903 332285771 /nfs/dbraw/zinc/28/57/71/332285771.db2.gz RFOUGADOKIJXGF-BHDPWAOGSA-N 2 0 312.379 3.752 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000044516709 332288021 /nfs/dbraw/zinc/28/80/21/332288021.db2.gz VNFAMRQVLUUIBD-HNNXBMFYSA-N 2 0 310.894 3.808 20 0 DHADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000559892501 332290128 /nfs/dbraw/zinc/29/01/28/332290128.db2.gz KLZQKYXYJWKFCH-MRXNPFEDSA-N 2 0 320.477 3.621 20 0 DHADRP CCOC1(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000559892773 332290282 /nfs/dbraw/zinc/29/02/82/332290282.db2.gz ZDRFRKDZTMNPGE-RBUKOAKNSA-N 2 0 316.489 3.761 20 0 DHADRP C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000559896018 332290773 /nfs/dbraw/zinc/29/07/73/332290773.db2.gz VRGQVPAMHXTRHD-MBOZVWFJSA-N 2 0 316.489 3.759 20 0 DHADRP C[C@H]1C[C@@H](N(C)Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000529527899 335099881 /nfs/dbraw/zinc/09/98/81/335099881.db2.gz GNNYKIRBQHYRJF-JQWIXIFHSA-N 2 0 306.397 3.681 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)[C@H]2CCC[C@H]21 ZINC000560524616 332350628 /nfs/dbraw/zinc/35/06/28/332350628.db2.gz ILAXGHPRSCMYOS-FGTMMUONSA-N 2 0 318.892 3.834 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1cccc(C)c1 ZINC000560544668 332356210 /nfs/dbraw/zinc/35/62/10/332356210.db2.gz RYGIRRFBSKIMNS-MDNKFWRPSA-N 2 0 316.489 3.615 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000560548643 332357857 /nfs/dbraw/zinc/35/78/57/332357857.db2.gz QMQXXAKTWIZEGR-OTWHNJEPSA-N 2 0 312.457 3.746 20 0 DHADRP CCCCOc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000560594350 332366682 /nfs/dbraw/zinc/36/66/82/332366682.db2.gz GQNYSCXHUOGFKX-HXUWFJFHSA-N 2 0 316.489 3.783 20 0 DHADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261679130 332640506 /nfs/dbraw/zinc/64/05/06/332640506.db2.gz HVZRBHVIAPTABV-YSIASYRMSA-N 2 0 311.473 3.611 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000171141729 332641930 /nfs/dbraw/zinc/64/19/30/332641930.db2.gz IGBLNQJJMUPHQU-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP Clc1cccc([C@H]2CCC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)c1 ZINC000569957102 332696656 /nfs/dbraw/zinc/69/66/56/332696656.db2.gz GZJCDADSWSECMC-WMZOPIPTSA-N 2 0 306.881 3.955 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000378950587 333067053 /nfs/dbraw/zinc/06/70/53/333067053.db2.gz HAJMCXXTYVHUPK-RYQLBKOJSA-N 2 0 302.462 3.751 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1ccccc1 ZINC000460351115 333069289 /nfs/dbraw/zinc/06/92/89/333069289.db2.gz RZZNORIEYYTITF-OALUTQOASA-N 2 0 322.496 3.975 20 0 DHADRP COc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182498624 335120106 /nfs/dbraw/zinc/12/01/06/335120106.db2.gz MEDUXWOXJCJFRE-IBGZPJMESA-N 2 0 316.489 3.578 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000314135704 333088885 /nfs/dbraw/zinc/08/88/85/333088885.db2.gz SAJUOXYDFDJLPA-CYBMUJFWSA-N 2 0 316.367 3.722 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCOCc1ccccc1 ZINC000390601741 333305984 /nfs/dbraw/zinc/30/59/84/333305984.db2.gz XQAKOYWMHUSMQX-UYAOXDASSA-N 2 0 318.505 3.884 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000184134191 333342650 /nfs/dbraw/zinc/34/26/50/333342650.db2.gz PMTJDAHYPUZEOY-UHFFFAOYSA-N 2 0 316.420 3.663 20 0 DHADRP CCN1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040503017 333353356 /nfs/dbraw/zinc/35/33/56/333353356.db2.gz ANYUOEBSCWVASO-GOEBONIOSA-N 2 0 323.278 3.510 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)CC1 ZINC000583467926 333360037 /nfs/dbraw/zinc/36/00/37/333360037.db2.gz ZSDRRRBJKVVHLC-BAHPRDJBSA-N 2 0 320.427 3.642 20 0 DHADRP Cc1ncccc1C[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000184534822 333361695 /nfs/dbraw/zinc/36/16/95/333361695.db2.gz FQKITRHRKNTUJA-HXUWFJFHSA-N 2 0 311.473 3.636 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnc(C3CCCCC3)s2)C1 ZINC000521406078 333370827 /nfs/dbraw/zinc/37/08/27/333370827.db2.gz FSPIZUVETMUTMA-HIFRSBDPSA-N 2 0 307.507 3.798 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)c1 ZINC000488425094 333375904 /nfs/dbraw/zinc/37/59/04/333375904.db2.gz FGWLLDLBQAMXAX-ZWKOTPCHSA-N 2 0 306.519 3.758 20 0 DHADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000563136209 333395915 /nfs/dbraw/zinc/39/59/15/333395915.db2.gz LUIKDMFPPQFSPO-KRWDZBQOSA-N 2 0 304.821 3.771 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000563153633 333398394 /nfs/dbraw/zinc/39/83/94/333398394.db2.gz BWJCSZVPSOBFHJ-HXUWFJFHSA-N 2 0 322.452 3.638 20 0 DHADRP c1nc(C2CCCC2)sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884218 333456875 /nfs/dbraw/zinc/45/68/75/333456875.db2.gz NAIGETKROARLKI-UHFFFAOYSA-N 2 0 319.518 3.765 20 0 DHADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000446882667 333456880 /nfs/dbraw/zinc/45/68/80/333456880.db2.gz BHKFBRWGNAKFED-UHFFFAOYSA-N 2 0 313.272 3.957 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000125142649 333507483 /nfs/dbraw/zinc/50/74/83/333507483.db2.gz PFJDZNUKIYCJRB-KRWDZBQOSA-N 2 0 318.505 3.870 20 0 DHADRP CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411493180 333684273 /nfs/dbraw/zinc/68/42/73/333684273.db2.gz RYZIZNNIPOYVED-LJQANCHMSA-N 2 0 318.505 3.559 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000414370542 333946639 /nfs/dbraw/zinc/94/66/39/333946639.db2.gz WVCXDAZVEZYBDN-MJGOQNOKSA-N 2 0 308.510 3.577 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000414652575 334055370 /nfs/dbraw/zinc/05/53/70/334055370.db2.gz DLGVFDREYZPACF-DNVCBOLYSA-N 2 0 310.441 3.531 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657635 334059624 /nfs/dbraw/zinc/05/96/24/334059624.db2.gz HVYOIIHOHFBGEV-PGRDOPGGSA-N 2 0 322.496 3.757 20 0 DHADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000414659600 334059628 /nfs/dbraw/zinc/05/96/28/334059628.db2.gz LHGGLBIFGUMOHL-DZKIICNBSA-N 2 0 312.379 3.573 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc2)cc1 ZINC000414661291 334060520 /nfs/dbraw/zinc/06/05/20/334060520.db2.gz PKEFLKRWNJPJTB-UTKZUKDTSA-N 2 0 324.468 3.743 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414675747 334066935 /nfs/dbraw/zinc/06/69/35/334066935.db2.gz GNNAIKDBPZYNFQ-MDZRGWNJSA-N 2 0 302.462 3.610 20 0 DHADRP Cc1ccc(C)c(OC2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414734144 334075586 /nfs/dbraw/zinc/07/55/86/334075586.db2.gz BINXDGUAPRBBCK-MSOLQXFVSA-N 2 0 316.489 3.535 20 0 DHADRP C[C@@H]1C[C@@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414736244 334075861 /nfs/dbraw/zinc/07/58/61/334075861.db2.gz MWZZIUVANSGMHI-CABCVRRESA-N 2 0 322.880 3.571 20 0 DHADRP CC(C)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCc2cccnc21 ZINC000414740007 334079319 /nfs/dbraw/zinc/07/93/19/334079319.db2.gz CVVODVLIKNAMDA-LMMKCTJWSA-N 2 0 315.505 3.805 20 0 DHADRP C[C@@H]1C[C@@H](C[NH+]2CCC(c3c(F)cccc3F)CC2)CC[NH2+]1 ZINC000414755776 334085850 /nfs/dbraw/zinc/08/58/50/334085850.db2.gz PQVMBWZJBRBQON-KGLIPLIRSA-N 2 0 308.416 3.532 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH2+]CC1 ZINC000414774349 334090651 /nfs/dbraw/zinc/09/06/51/334090651.db2.gz AYDICCGOIQLOGD-ZDUSSCGKSA-N 2 0 301.261 3.656 20 0 DHADRP c1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774033 334091169 /nfs/dbraw/zinc/09/11/69/334091169.db2.gz FCVCZCYMSMYOFI-UXHICEINSA-N 2 0 321.468 3.570 20 0 DHADRP c1ccc(OCCCCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778019 334092411 /nfs/dbraw/zinc/09/24/11/334092411.db2.gz IUWIYCIELDCZDQ-RBUKOAKNSA-N 2 0 316.489 3.557 20 0 DHADRP Fc1cc(F)cc(Oc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)c1 ZINC000414786299 334096060 /nfs/dbraw/zinc/09/60/60/334096060.db2.gz KCJRKPBOPJQULV-UHFFFAOYSA-N 2 0 318.367 3.599 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801339 334102062 /nfs/dbraw/zinc/10/20/62/334102062.db2.gz TZMPJLPKXFHZRG-BZUAXINKSA-N 2 0 314.395 3.914 20 0 DHADRP COc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(Cl)c1 ZINC000414809246 334104899 /nfs/dbraw/zinc/10/48/99/334104899.db2.gz LUQUAFBWQOEOND-GFCCVEGCSA-N 2 0 304.821 3.658 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000414809330 334105026 /nfs/dbraw/zinc/10/50/26/334105026.db2.gz MDUUJILAEDPTSP-GFCCVEGCSA-N 2 0 301.459 3.720 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414812551 334106212 /nfs/dbraw/zinc/10/62/12/334106212.db2.gz XKBDKAVQFKAWKZ-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000414816015 334106781 /nfs/dbraw/zinc/10/67/81/334106781.db2.gz YWGXLCPUCXVGOC-FIKGOQFSSA-N 2 0 323.484 3.631 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414822510 334108233 /nfs/dbraw/zinc/10/82/33/334108233.db2.gz MVQUUADYFRMNAB-UPJWGTAASA-N 2 0 300.899 3.700 20 0 DHADRP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1-c1cccs1 ZINC000414821737 334108572 /nfs/dbraw/zinc/10/85/72/334108572.db2.gz BXFIDXWWCRPWDH-AWEZNQCLSA-N 2 0 304.434 3.643 20 0 DHADRP Fc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1-c1cccs1 ZINC000414825389 334109212 /nfs/dbraw/zinc/10/92/12/334109212.db2.gz CDHNGZZLMJXAGV-CYBMUJFWSA-N 2 0 304.434 3.643 20 0 DHADRP Fc1cccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)s2)c1 ZINC000414827343 334110276 /nfs/dbraw/zinc/11/02/76/334110276.db2.gz KKQZAZNSDAWTLF-CYBMUJFWSA-N 2 0 304.434 3.643 20 0 DHADRP FC(F)(F)c1cc(Cl)cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414846281 334117896 /nfs/dbraw/zinc/11/78/96/334117896.db2.gz UOCDHMAORZSQHY-LLVKDONJSA-N 2 0 320.786 3.838 20 0 DHADRP c1sc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1-c1ccccc1 ZINC000414847841 334119479 /nfs/dbraw/zinc/11/94/79/334119479.db2.gz JZGKOYSYSQCKTE-HNNXBMFYSA-N 2 0 300.471 3.894 20 0 DHADRP Cc1ccc(CCC[NH2+]C[C@@H](N)c2ccc(C(C)C)cc2)cn1 ZINC000414851730 334126058 /nfs/dbraw/zinc/12/60/58/334126058.db2.gz UUBXTDXVZBCAKB-HXUWFJFHSA-N 2 0 311.473 3.736 20 0 DHADRP c1ccc(COc2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000414852871 334126906 /nfs/dbraw/zinc/12/69/06/334126906.db2.gz QSRRGVXBOSRLKD-SFHVURJKSA-N 2 0 324.468 3.745 20 0 DHADRP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000414853546 334127577 /nfs/dbraw/zinc/12/75/77/334127577.db2.gz KYKGGMKWVIOBCT-ZBFHGGJFSA-N 2 0 300.471 3.893 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000414863106 334133943 /nfs/dbraw/zinc/13/39/43/334133943.db2.gz WSMYMIVPNRBWRB-PKOBYXMFSA-N 2 0 321.553 3.671 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414865672 334135746 /nfs/dbraw/zinc/13/57/46/334135746.db2.gz ZLJUUVSXUPXIID-QREPNTDJSA-N 2 0 300.490 3.865 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccnc2)CC1 ZINC000285705663 334149453 /nfs/dbraw/zinc/14/94/53/334149453.db2.gz PGRQEBCXSBUBLZ-UHFFFAOYSA-N 2 0 309.457 3.614 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414892064 334158495 /nfs/dbraw/zinc/15/84/95/334158495.db2.gz PFXSSCRUVLISQY-UKRRQHHQSA-N 2 0 301.261 3.641 20 0 DHADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414898200 334161373 /nfs/dbraw/zinc/16/13/73/334161373.db2.gz SLEVTMBOVBHWNH-MRVPVSSYSA-N 2 0 314.273 3.551 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414905624 334169011 /nfs/dbraw/zinc/16/90/11/334169011.db2.gz LOXNIKUEHDGSEI-XJKSGUPXSA-N 2 0 314.395 3.616 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC3(C)CC[NH2+]CC3)CC2)cc1 ZINC000414907371 334170355 /nfs/dbraw/zinc/17/03/55/334170355.db2.gz QJVZINVVIUTJQK-UHFFFAOYSA-N 2 0 316.489 3.701 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)cc2)cc1 ZINC000414939757 334201101 /nfs/dbraw/zinc/20/11/01/334201101.db2.gz JNIICPAFHFAYNH-LAUBAEHRSA-N 2 0 324.468 3.662 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414941261 334202397 /nfs/dbraw/zinc/20/23/97/334202397.db2.gz LHTJSQADSRLIFU-RWSFTLGLSA-N 2 0 301.261 3.512 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415083986 334272288 /nfs/dbraw/zinc/27/22/88/334272288.db2.gz ONHJQMFJHDTJRT-NWDGAFQWSA-N 2 0 301.261 3.829 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952171 334207135 /nfs/dbraw/zinc/20/71/35/334207135.db2.gz QPCTVYJUJKLSDS-ZOWXZIJZSA-N 2 0 300.368 3.539 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414954320 334208120 /nfs/dbraw/zinc/20/81/20/334208120.db2.gz SNSQKZZEGITUTL-QIJUGHKUSA-N 2 0 322.496 3.961 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414959090 334211016 /nfs/dbraw/zinc/21/10/16/334211016.db2.gz PKILDNYSNXRMFL-QWHCGFSZSA-N 2 0 302.384 3.614 20 0 DHADRP c1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc(OC2CCCC2)c1 ZINC000414976911 334222823 /nfs/dbraw/zinc/22/28/23/334222823.db2.gz QRKMNAXJQHSIAU-QGZVFWFLSA-N 2 0 302.462 3.630 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)C1 ZINC000414992433 334230949 /nfs/dbraw/zinc/23/09/49/334230949.db2.gz KMEXRNZEYNEIJL-UONOGXRCSA-N 2 0 302.393 3.693 20 0 DHADRP Cc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414995991 334234822 /nfs/dbraw/zinc/23/48/22/334234822.db2.gz GARRJJLSCFQAOM-AZUAARDMSA-N 2 0 312.432 3.617 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414996958 334235335 /nfs/dbraw/zinc/23/53/35/334235335.db2.gz PAXDAQVGSJGHLO-GXFFZTMASA-N 2 0 317.260 3.609 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414996223 334235343 /nfs/dbraw/zinc/23/53/43/334235343.db2.gz GHKRTTXBSMXGCD-IUODEOHRSA-N 2 0 300.368 3.621 20 0 DHADRP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414997089 334235475 /nfs/dbraw/zinc/23/54/75/334235475.db2.gz HBTFRJDFCQMWPS-CGTJXYLNSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414998602 334236772 /nfs/dbraw/zinc/23/67/72/334236772.db2.gz IHWRFUSZYNCPSH-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000415003438 334241651 /nfs/dbraw/zinc/24/16/51/334241651.db2.gz XDUIFNMXJMIDBO-ZBFHGGJFSA-N 2 0 315.486 3.726 20 0 DHADRP CC(C)C[C@@H]([NH3+])CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415086867 334275346 /nfs/dbraw/zinc/27/53/46/334275346.db2.gz SAUAXCKWEBLBSD-KGLIPLIRSA-N 2 0 306.347 3.782 20 0 DHADRP C[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000415007951 334250482 /nfs/dbraw/zinc/25/04/82/334250482.db2.gz RZNKVCXLNDLMPU-OYSPMZIOSA-N 2 0 304.453 3.687 20 0 DHADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415010718 334257124 /nfs/dbraw/zinc/25/71/24/334257124.db2.gz GPNZJYBKEZKRBA-HZPDHXFCSA-N 2 0 319.493 3.634 20 0 DHADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415014870 334258787 /nfs/dbraw/zinc/25/87/87/334258787.db2.gz NHVPUKWELAMCSL-HZPDHXFCSA-N 2 0 319.493 3.634 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415016418 334258913 /nfs/dbraw/zinc/25/89/13/334258913.db2.gz PLBXOSBLDAAREW-SNVBAGLBSA-N 2 0 308.775 3.966 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415021800 334259678 /nfs/dbraw/zinc/25/96/78/334259678.db2.gz KRESLDQYOPBDKA-LZQZEXGQSA-N 2 0 304.478 3.827 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000415023250 334259686 /nfs/dbraw/zinc/25/96/86/334259686.db2.gz WJTHRQACJJBGPP-ROUUACIJSA-N 2 0 310.485 3.946 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415027000 334259754 /nfs/dbraw/zinc/25/97/54/334259754.db2.gz ANKFHERTBVWXMS-KXBFYZLASA-N 2 0 310.441 3.579 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000415025363 334259807 /nfs/dbraw/zinc/25/98/07/334259807.db2.gz QSMYHOUTVLFGQS-OAHLLOKOSA-N 2 0 316.420 3.622 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415026999 334259833 /nfs/dbraw/zinc/25/98/33/334259833.db2.gz ANKFHERTBVWXMS-HNAYVOBHSA-N 2 0 310.441 3.579 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000415025181 334259895 /nfs/dbraw/zinc/25/98/95/334259895.db2.gz QMDLAXSFPMZWFL-HNNXBMFYSA-N 2 0 316.420 3.622 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415031857 334260283 /nfs/dbraw/zinc/26/02/83/334260283.db2.gz HISMCCCPBOWZOT-WOPDTQHZSA-N 2 0 301.261 3.641 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036157 334260452 /nfs/dbraw/zinc/26/04/52/334260452.db2.gz FJYVPLIIOFOSNH-GDBMZVCRSA-N 2 0 312.379 3.669 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC000415052424 334260455 /nfs/dbraw/zinc/26/04/55/334260455.db2.gz LERIGQSUHZAOEE-IBGZPJMESA-N 2 0 305.425 3.805 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415038162 334260772 /nfs/dbraw/zinc/26/07/72/334260772.db2.gz HNQDFIGYUIRGNS-FUHWJXTLSA-N 2 0 304.503 3.763 20 0 DHADRP c1c2ccccc2sc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415060182 334261894 /nfs/dbraw/zinc/26/18/94/334261894.db2.gz YJHJRYFRWXLPDQ-NVXWUHKLSA-N 2 0 300.471 3.865 20 0 DHADRP COc1cccc2c1CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000415060428 334262116 /nfs/dbraw/zinc/26/21/16/334262116.db2.gz WTALJWVBIHADCY-QUCCMNQESA-N 2 0 324.468 3.622 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2ccccc2COCc2ccccc2)CC1 ZINC000415076321 334268799 /nfs/dbraw/zinc/26/87/99/334268799.db2.gz GFJPEIFIZYUCAN-UHFFFAOYSA-N 2 0 324.468 3.763 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079461 334270711 /nfs/dbraw/zinc/27/07/11/334270711.db2.gz HYJFWPZRXKLHGN-VXGBXAGGSA-N 2 0 301.261 3.686 20 0 DHADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415091771 334280172 /nfs/dbraw/zinc/28/01/72/334280172.db2.gz ZZZPBNVSFXFSPS-IEBWSBKVSA-N 2 0 324.468 3.853 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415095283 334280928 /nfs/dbraw/zinc/28/09/28/334280928.db2.gz ZISCGSGJUZEBGR-BHIYHBOVSA-N 2 0 300.490 3.783 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)s2)cc1 ZINC000415103247 334282755 /nfs/dbraw/zinc/28/27/55/334282755.db2.gz CYGWBUDWQXOXAJ-ZBFHGGJFSA-N 2 0 315.486 3.535 20 0 DHADRP [NH3+]C1CCC([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000415114849 334283613 /nfs/dbraw/zinc/28/36/13/334283613.db2.gz GHTUULSYPMWVNV-MWXLCCTBSA-N 2 0 308.469 3.872 20 0 DHADRP CCCC1CCC(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000415118398 334283817 /nfs/dbraw/zinc/28/38/17/334283817.db2.gz DDZVQOISQYBKAB-OTGCGEFBSA-N 2 0 322.537 3.811 20 0 DHADRP CCCC1(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CCC1 ZINC000537962164 334299346 /nfs/dbraw/zinc/29/93/46/334299346.db2.gz NCMCGLJDTGBGDL-QZTJIDSGSA-N 2 0 310.526 3.683 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534660084 334315809 /nfs/dbraw/zinc/31/58/09/334315809.db2.gz RQNHUXBABIAOIX-AEFFLSMTSA-N 2 0 322.880 3.668 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000531962991 334320962 /nfs/dbraw/zinc/32/09/62/334320962.db2.gz RMONSOGFBCCFDT-FQEVSTJZSA-N 2 0 316.489 3.618 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000534869763 334342422 /nfs/dbraw/zinc/34/24/22/334342422.db2.gz SGXLKOUXWHRFNU-IBGZPJMESA-N 2 0 320.546 3.974 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000534871190 334342535 /nfs/dbraw/zinc/34/25/35/334342535.db2.gz HQIGHBPTMSBLRT-UHFFFAOYSA-N 2 0 306.519 3.584 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534973441 334351367 /nfs/dbraw/zinc/35/13/67/334351367.db2.gz ROXKLNUBTHRYTK-UGSOOPFHSA-N 2 0 304.865 3.791 20 0 DHADRP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000532042740 334382329 /nfs/dbraw/zinc/38/23/29/334382329.db2.gz YUGBBRNYJOILBN-UHFFFAOYSA-N 2 0 300.490 3.992 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000342822091 334581221 /nfs/dbraw/zinc/58/12/21/334581221.db2.gz FQFCFAZUKDRXDF-INIZCTEOSA-N 2 0 316.489 3.828 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CCC(C)(C)C)cc2)CC1 ZINC000342823069 334581385 /nfs/dbraw/zinc/58/13/85/334581385.db2.gz MUXCUHVZNJCYFL-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(CO)c1 ZINC000305645076 334719339 /nfs/dbraw/zinc/71/93/39/334719339.db2.gz LPXIYBPEQLWKDH-KURKYZTESA-N 2 0 318.505 3.588 20 0 DHADRP COCCC1(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCCCC1 ZINC000189002804 334880030 /nfs/dbraw/zinc/88/00/30/334880030.db2.gz FUVOYVXQSWUFOW-UHFFFAOYSA-N 2 0 310.526 3.872 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189150778 334887361 /nfs/dbraw/zinc/88/73/61/334887361.db2.gz NDNBYRFFWZRHPD-UHFFFAOYSA-N 2 0 320.786 3.790 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343728546 335187156 /nfs/dbraw/zinc/18/71/56/335187156.db2.gz NIVYOGGULCFFKN-JTQLQIEISA-N 2 0 321.412 3.544 20 0 DHADRP Cc1[nH+]ccc(N(C)CCC[N@H+](C)Cc2ccco2)c1Cl ZINC000343818749 335195508 /nfs/dbraw/zinc/19/55/08/335195508.db2.gz WNJLDFKQZYYVKX-UHFFFAOYSA-N 2 0 307.825 3.595 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000344020776 335209629 /nfs/dbraw/zinc/20/96/29/335209629.db2.gz MRTKMCJEEPGPCX-LJQANCHMSA-N 2 0 302.437 3.810 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000344171632 335227323 /nfs/dbraw/zinc/22/73/23/335227323.db2.gz AEVIHYPVCXTYML-WBVHZDCISA-N 2 0 312.461 3.882 20 0 DHADRP FC(F)(F)C1CCC(C[NH+]2CCC(c3ncc[nH]3)CC2)CC1 ZINC000344497325 335256994 /nfs/dbraw/zinc/25/69/94/335256994.db2.gz LHZDBXYMBKFRGX-UHFFFAOYSA-N 2 0 315.383 3.958 20 0 DHADRP CC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)[C@H]1CCC[NH2+]CC1 ZINC000345184925 335305978 /nfs/dbraw/zinc/30/59/78/335305978.db2.gz YONNJGUGZMSCSA-SFHVURJKSA-N 2 0 316.489 3.778 20 0 DHADRP CC[C@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)[NH+](CC)CC ZINC000345799588 335352078 /nfs/dbraw/zinc/35/20/78/335352078.db2.gz NZVBDXSRRWXZFA-GOSISDBHSA-N 2 0 319.493 3.587 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000346174081 335377878 /nfs/dbraw/zinc/37/78/78/335377878.db2.gz CTLUWDZNGPDGEY-UHFFFAOYSA-N 2 0 306.413 3.516 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC2(CCCC2)CC1 ZINC000346160309 335383581 /nfs/dbraw/zinc/38/35/81/335383581.db2.gz WCFNANMNGSEPNL-UHFFFAOYSA-N 2 0 310.445 3.732 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000346215319 335385075 /nfs/dbraw/zinc/38/50/75/335385075.db2.gz PUIJVQWPIJSQJE-QGZVFWFLSA-N 2 0 324.453 3.974 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000346677028 335428932 /nfs/dbraw/zinc/42/89/32/335428932.db2.gz YXQPMIONRXTVMQ-UHFFFAOYSA-N 2 0 304.434 3.725 20 0 DHADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@H](C)[NH3+])CC3)s2)cc1 ZINC000347110735 335466565 /nfs/dbraw/zinc/46/65/65/335466565.db2.gz PSNOQDXGWDFJJT-AWEZNQCLSA-N 2 0 315.486 3.678 20 0 DHADRP CCCOc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000314678128 335649942 /nfs/dbraw/zinc/64/99/42/335649942.db2.gz JZEATAFZTBGZDM-QGZVFWFLSA-N 2 0 304.478 3.687 20 0 DHADRP CSC1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000381946717 336010927 /nfs/dbraw/zinc/01/09/27/336010927.db2.gz ZGQUTCSKHBXAMB-FUHWJXTLSA-N 2 0 318.530 3.772 20 0 DHADRP c1ccc([C@@H]2C[C@H]2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000417955216 336031117 /nfs/dbraw/zinc/03/11/17/336031117.db2.gz CUXKTWKSIOISGA-FPOVZHCZSA-N 2 0 321.468 3.691 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000583661359 336035708 /nfs/dbraw/zinc/03/57/08/336035708.db2.gz LFGHZSWYZRAKOJ-OAHLLOKOSA-N 2 0 310.844 3.643 20 0 DHADRP CC[NH+](CC)CCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000351488686 336038069 /nfs/dbraw/zinc/03/80/69/336038069.db2.gz ALVCNRKPPKMFSU-UHFFFAOYSA-N 2 0 324.896 3.915 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(OC)c(OC)c1 ZINC000352246454 336206617 /nfs/dbraw/zinc/20/66/17/336206617.db2.gz PVOMFPZAWVOLCG-IAGOWNOFSA-N 2 0 320.477 3.619 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352812569 336246320 /nfs/dbraw/zinc/24/63/20/336246320.db2.gz GKEHUWHGFSOEHE-GPANFISMSA-N 2 0 324.896 3.532 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH2+]CCc1cn2c(n1)CCCC2 ZINC000532449663 336246969 /nfs/dbraw/zinc/24/69/69/336246969.db2.gz MLWKLJOCZMIJFG-QGZVFWFLSA-N 2 0 315.848 3.692 20 0 DHADRP c1ccc(CCN2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)cc1 ZINC000324708263 336249697 /nfs/dbraw/zinc/24/96/97/336249697.db2.gz WBAZRLQIIPJLEX-OAQYLSRUSA-N 2 0 312.501 3.862 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@H]3CCCN(C)C3)c(C)c2c1 ZINC000532505980 336252758 /nfs/dbraw/zinc/25/27/58/336252758.db2.gz QTWIWDKDEFWJHZ-LSDHHAIUSA-N 2 0 316.445 3.742 20 0 DHADRP CC(C)SCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822223 336257688 /nfs/dbraw/zinc/25/76/88/336257688.db2.gz DVXUEDJZZCGNIU-LJQANCHMSA-N 2 0 318.530 3.726 20 0 DHADRP Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000301346411 336301681 /nfs/dbraw/zinc/30/16/81/336301681.db2.gz GYIJQPUGHFLHDU-QGZVFWFLSA-N 2 0 309.457 3.998 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514099838 336303651 /nfs/dbraw/zinc/30/36/51/336303651.db2.gz RISBIVPGVXAXMT-XYPHTWIQSA-N 2 0 308.416 3.502 20 0 DHADRP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2cc(F)ccc2[nH+]1 ZINC000301656520 336321175 /nfs/dbraw/zinc/32/11/75/336321175.db2.gz AZUXAGBCRYCIGG-KBXCAEBGSA-N 2 0 313.420 3.603 20 0 DHADRP CN(CCCn1ccnc1)c1ccnc2cc(Cl)ccc21 ZINC000301687505 336323546 /nfs/dbraw/zinc/32/35/46/336323546.db2.gz IRWRYGKBHNHTFN-UHFFFAOYSA-N 2 0 300.793 3.611 20 0 DHADRP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc2[nH+]1 ZINC000301770642 336328798 /nfs/dbraw/zinc/32/87/98/336328798.db2.gz IZTDUVUGGQHYKI-OXQOHEQNSA-N 2 0 321.468 3.996 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(c2cc(CC)[nH+]c3ccccc32)C1 ZINC000301801084 336330985 /nfs/dbraw/zinc/33/09/85/336330985.db2.gz SHZXSANOJAAJRH-MRXNPFEDSA-N 2 0 311.473 3.965 20 0 DHADRP Cc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000301999616 336342303 /nfs/dbraw/zinc/34/23/03/336342303.db2.gz VLEZEYLTFZZBBJ-INIZCTEOSA-N 2 0 313.420 3.747 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ccccn4)[C@H]3C2)cc1 ZINC000302067694 336346711 /nfs/dbraw/zinc/34/67/11/336346711.db2.gz WTFFKXUBRXTMDM-FHWLQOOXSA-N 2 0 307.441 3.794 20 0 DHADRP CC(C)c1nc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(C)(C)C)n1 ZINC000302897042 336373678 /nfs/dbraw/zinc/37/36/78/336373678.db2.gz PFWWPFQOKFWBEJ-GJZGRUSLSA-N 2 0 318.509 3.816 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000354033460 336455491 /nfs/dbraw/zinc/45/54/91/336455491.db2.gz LNLCFHCUNCGTIA-UHFFFAOYSA-N 2 0 318.505 3.626 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000355748766 336520919 /nfs/dbraw/zinc/52/09/19/336520919.db2.gz XRLFRNHKJLPFDJ-UHFFFAOYSA-N 2 0 321.515 3.693 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000356837227 336562660 /nfs/dbraw/zinc/56/26/60/336562660.db2.gz ICJRASVCBVKPOX-MRXNPFEDSA-N 2 0 322.880 3.875 20 0 DHADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc(-c2ccncc2)c1 ZINC000357087767 336573302 /nfs/dbraw/zinc/57/33/02/336573302.db2.gz SHXBPGQNVNNNLR-OAQYLSRUSA-N 2 0 321.468 3.570 20 0 DHADRP c1ccc(C2CC([NH2+]CCCCC[NH+]3CCCCC3)C2)nc1 ZINC000367361525 336689812 /nfs/dbraw/zinc/68/98/12/336689812.db2.gz PXDUIYPTFJTWRK-UHFFFAOYSA-N 2 0 301.478 3.573 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000360428537 336711399 /nfs/dbraw/zinc/71/13/99/336711399.db2.gz ODBJOQCHYNZWPE-SJLPKXTDSA-N 2 0 302.462 3.530 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)c1 ZINC000361116214 336739438 /nfs/dbraw/zinc/73/94/38/336739438.db2.gz BZHYLJJISOVRNL-FQEVSTJZSA-N 2 0 310.441 3.621 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000122662821 337017797 /nfs/dbraw/zinc/01/77/97/337017797.db2.gz NKNDHOCVHXLETE-KRWDZBQOSA-N 2 0 303.494 3.977 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000122663060 337017849 /nfs/dbraw/zinc/01/78/49/337017849.db2.gz NKNDHOCVHXLETE-QGZVFWFLSA-N 2 0 303.494 3.977 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000122673305 337018009 /nfs/dbraw/zinc/01/80/09/337018009.db2.gz PRXDDZSSCGEHOT-SFHVURJKSA-N 2 0 320.452 3.751 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000376147565 337028385 /nfs/dbraw/zinc/02/83/85/337028385.db2.gz CIKSBWQDXBXNEX-BPQIPLTHSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000376489263 337034814 /nfs/dbraw/zinc/03/48/14/337034814.db2.gz CLYVXLFOBGOYCT-GDBMZVCRSA-N 2 0 322.412 3.512 20 0 DHADRP Cc1ccc([C@@H](C)NCc2nc3c(s2)C[N@H+](C(C)C)CC3)o1 ZINC000376615876 337038175 /nfs/dbraw/zinc/03/81/75/337038175.db2.gz TZFYZMNNWLDDLB-CYBMUJFWSA-N 2 0 319.474 3.662 20 0 DHADRP C([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCSC1 ZINC000376824961 337042137 /nfs/dbraw/zinc/04/21/37/337042137.db2.gz ZDRBPGASAHYFCV-KRWDZBQOSA-N 2 0 310.551 3.764 20 0 DHADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccncc2)CC3)cc1 ZINC000377196399 337048516 /nfs/dbraw/zinc/04/85/16/337048516.db2.gz IGJHVDVBASMBRW-UHFFFAOYSA-N 2 0 321.468 3.570 20 0 DHADRP CSC1(C[NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000377541275 337054650 /nfs/dbraw/zinc/05/46/50/337054650.db2.gz LOYCUISOLSKUGI-UHFFFAOYSA-N 2 0 322.493 3.523 20 0 DHADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@@H]1c1ccccc1 ZINC000377766730 337060423 /nfs/dbraw/zinc/06/04/23/337060423.db2.gz ZUGOYYOBCPVQIW-LPHOPBHVSA-N 2 0 316.395 3.747 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000378184821 337067838 /nfs/dbraw/zinc/06/78/38/337067838.db2.gz PXMQBZDXCTZWPS-OAHLLOKOSA-N 2 0 304.478 3.906 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CC3 ZINC000378491745 337074140 /nfs/dbraw/zinc/07/41/40/337074140.db2.gz GOSBESUDNYHHBW-IKGGRYGDSA-N 2 0 323.484 3.550 20 0 DHADRP Cc1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1Cl ZINC000193731752 337079183 /nfs/dbraw/zinc/07/91/83/337079183.db2.gz CUZWPQKNLNUYHB-UHFFFAOYSA-N 2 0 315.848 3.802 20 0 DHADRP C=Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000194273583 337091482 /nfs/dbraw/zinc/09/14/82/337091482.db2.gz VZUUUTPIZRHNRI-UHFFFAOYSA-N 2 0 324.472 3.649 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1sccc1Br ZINC000514667427 337147654 /nfs/dbraw/zinc/14/76/54/337147654.db2.gz KJTLRYMOMHWXQQ-GARJFASQSA-N 2 0 317.296 3.679 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000178035082 337159945 /nfs/dbraw/zinc/15/99/45/337159945.db2.gz CPJZEYGUAQNCEK-ZIFCJYIRSA-N 2 0 304.478 3.617 20 0 DHADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000178501071 337163278 /nfs/dbraw/zinc/16/32/78/337163278.db2.gz ZHGKJSWBSBDLAC-PXNSSMCTSA-N 2 0 315.505 3.852 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000582786964 337164396 /nfs/dbraw/zinc/16/43/96/337164396.db2.gz ROSZQTPDJZMGAR-SFHVURJKSA-N 2 0 304.384 3.910 20 0 DHADRP Fc1cccc(CC[N@H+](CC2CC[NH2+]CC2)C2CCCC2)c1 ZINC000178977344 337166572 /nfs/dbraw/zinc/16/65/72/337166572.db2.gz MJXCKJCOHFUZFH-UHFFFAOYSA-N 2 0 304.453 3.612 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000180935017 337178747 /nfs/dbraw/zinc/17/87/47/337178747.db2.gz OJZVFAUZVPLRGG-JXFKEZNVSA-N 2 0 309.457 3.884 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)CC[N@@H+]1C ZINC000181016082 337179215 /nfs/dbraw/zinc/17/92/15/337179215.db2.gz SVRGVQFNJMVVPP-GDBMZVCRSA-N 2 0 321.534 3.806 20 0 DHADRP CC[NH+](CC)CCCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000182784754 337189807 /nfs/dbraw/zinc/18/98/07/337189807.db2.gz LSBBXQHMZHHCLF-UHFFFAOYSA-N 2 0 307.482 3.625 20 0 DHADRP Cc1ccc2c(C)cc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)nc2c1 ZINC000460938907 337193304 /nfs/dbraw/zinc/19/33/04/337193304.db2.gz RDHKAPZQAWVLDG-APWZRJJASA-N 2 0 309.457 3.772 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000582994094 337223296 /nfs/dbraw/zinc/22/32/96/337223296.db2.gz KGCRTNPWXDGLAU-QZTJIDSGSA-N 2 0 318.530 3.740 20 0 DHADRP c1ccc(C[C@H]([NH2+][C@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000321644145 337281073 /nfs/dbraw/zinc/28/10/73/337281073.db2.gz WUUXIQOSNUPDBQ-FPOVZHCZSA-N 2 0 306.453 3.797 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000191851703 337301651 /nfs/dbraw/zinc/30/16/51/337301651.db2.gz UFOYRJKYPXAGQJ-HKUYNNGSSA-N 2 0 316.489 3.617 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000584403622 337319801 /nfs/dbraw/zinc/31/98/01/337319801.db2.gz CRXHNPRZUCGWHQ-KRWDZBQOSA-N 2 0 322.880 3.875 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1)CC(C)C ZINC000583756341 337330282 /nfs/dbraw/zinc/33/02/82/337330282.db2.gz ZQDBKUFJPXGJLJ-PMACEKPBSA-N 2 0 324.553 3.618 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000584524170 337355308 /nfs/dbraw/zinc/35/53/08/337355308.db2.gz OBLLEXVACRTELV-NCXUSEDFSA-N 2 0 315.505 3.771 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1)CC(C)C ZINC000584583027 337368436 /nfs/dbraw/zinc/36/84/36/337368436.db2.gz BPRQWOLWEFROPI-ICSRJNTNSA-N 2 0 324.553 3.882 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000124380873 337405066 /nfs/dbraw/zinc/40/50/66/337405066.db2.gz TXRXOYGIOJWTIK-KRWDZBQOSA-N 2 0 304.478 3.577 20 0 DHADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420263410 337497822 /nfs/dbraw/zinc/49/78/22/337497822.db2.gz SLTMIWJLCZXVEC-KBPBESRZSA-N 2 0 315.848 3.551 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420306225 337499042 /nfs/dbraw/zinc/49/90/42/337499042.db2.gz ACBXQJQJXRDFDW-KSSFIOAISA-N 2 0 304.865 3.649 20 0 DHADRP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420391354 337500496 /nfs/dbraw/zinc/50/04/96/337500496.db2.gz AQSSVFNZTBOMTQ-YLJYHZDGSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420393413 337500497 /nfs/dbraw/zinc/50/04/97/337500497.db2.gz QKQYXIVWGYGPPW-BVGQSLNGSA-N 2 0 322.880 3.619 20 0 DHADRP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420391347 337500550 /nfs/dbraw/zinc/50/05/50/337500550.db2.gz AQSSVFNZTBOMTQ-PXNSSMCTSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421373382 337528402 /nfs/dbraw/zinc/52/84/02/337528402.db2.gz MJLFWJZPZFEAGJ-IGEOTXOUSA-N 2 0 310.432 3.748 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000421378807 337528996 /nfs/dbraw/zinc/52/89/96/337528996.db2.gz WETQKXINGLKHSU-UHFFFAOYSA-N 2 0 321.515 3.834 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000421368449 337532722 /nfs/dbraw/zinc/53/27/22/337532722.db2.gz GDONBDTUAPWMLB-UHFFFAOYSA-N 2 0 304.478 3.698 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000421368719 337532730 /nfs/dbraw/zinc/53/27/30/337532730.db2.gz GHCBEQXHHHRUJM-WEOZKBJRSA-N 2 0 301.478 3.570 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000571762309 337575476 /nfs/dbraw/zinc/57/54/76/337575476.db2.gz HBDHNQHSNFAGFK-UHFFFAOYSA-N 2 0 307.507 3.622 20 0 DHADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162541007 337635313 /nfs/dbraw/zinc/63/53/13/337635313.db2.gz NLGGWSUUHFJJHA-NRFANRHFSA-N 2 0 324.468 3.713 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000162577238 337640614 /nfs/dbraw/zinc/64/06/14/337640614.db2.gz WCOHKPHQYUERMW-OAQYLSRUSA-N 2 0 324.468 3.713 20 0 DHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000421836615 337652277 /nfs/dbraw/zinc/65/22/77/337652277.db2.gz HMWNAZDNRAXLFJ-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CCS2 ZINC000421893696 337659426 /nfs/dbraw/zinc/65/94/26/337659426.db2.gz ZUMKZHNWJBZKQZ-MQBCKMQZSA-N 2 0 320.502 3.695 20 0 DHADRP Cc1cccnc1[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000422749139 337684806 /nfs/dbraw/zinc/68/48/06/337684806.db2.gz XTOWGISNMSYILG-KZNAEPCWSA-N 2 0 303.494 3.988 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000422751860 337685006 /nfs/dbraw/zinc/68/50/06/337685006.db2.gz AIYOPGQXQJDFOV-QZTJIDSGSA-N 2 0 317.521 3.757 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825566 337688201 /nfs/dbraw/zinc/68/82/01/337688201.db2.gz JSMRSDRRUZDGAF-CSMYWGQOSA-N 2 0 324.415 3.643 20 0 DHADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422838029 337688649 /nfs/dbraw/zinc/68/86/49/337688649.db2.gz NPWPRYZCUZGBMD-KBRIMQKVSA-N 2 0 307.507 3.564 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H]3CCC[NH2+]CC3)c(C)c2c1 ZINC000422857917 337689137 /nfs/dbraw/zinc/68/91/37/337689137.db2.gz HPNBHARPRCQXIN-KBPBESRZSA-N 2 0 302.418 3.543 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422856760 337689157 /nfs/dbraw/zinc/68/91/57/337689157.db2.gz GCCJMAPMZWKBCB-FMVWZJFZSA-N 2 0 313.272 3.797 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1OC1CCCC1 ZINC000422877676 337689699 /nfs/dbraw/zinc/68/96/99/337689699.db2.gz INKQWJAAFAZEEC-CABCVRRESA-N 2 0 320.477 3.795 20 0 DHADRP COc1cccc(C2(C[NH2+][C@@H](C)CCCC[NH3+])CCCC2)c1 ZINC000422892031 337690452 /nfs/dbraw/zinc/69/04/52/337690452.db2.gz XJXRQMTZOYUBOJ-INIZCTEOSA-N 2 0 304.478 3.614 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422906226 337690696 /nfs/dbraw/zinc/69/06/96/337690696.db2.gz UPYKRKIYTLNZFG-RYUDHWBXSA-N 2 0 318.383 3.708 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000422939778 337692673 /nfs/dbraw/zinc/69/26/73/337692673.db2.gz RSBSATYUEIMNHG-NHYWBVRUSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000422957631 337694930 /nfs/dbraw/zinc/69/49/30/337694930.db2.gz NTJWPUHRLBDSDU-YLJYHZDGSA-N 2 0 312.457 3.914 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000423020380 337695995 /nfs/dbraw/zinc/69/59/95/337695995.db2.gz BDHCMHXHJUZKHZ-PKOBYXMFSA-N 2 0 304.478 3.531 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]CC1(Cc2ccccc2)CCCCC1 ZINC000423056285 337697552 /nfs/dbraw/zinc/69/75/52/337697552.db2.gz XGARKVTZNFQPKP-IBGZPJMESA-N 2 0 318.505 3.523 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423080462 337698597 /nfs/dbraw/zinc/69/85/97/337698597.db2.gz AHCAOLISUQWPCP-DABHTEOTSA-N 2 0 316.464 3.972 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423083260 337698617 /nfs/dbraw/zinc/69/86/17/337698617.db2.gz YMDGNCPVBLLMEK-CQSZACIVSA-N 2 0 309.457 3.967 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423093281 337699066 /nfs/dbraw/zinc/69/90/66/337699066.db2.gz GVZCDLJCFDTAHB-IIAWOOMASA-N 2 0 313.420 3.585 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423098637 337699300 /nfs/dbraw/zinc/69/93/00/337699300.db2.gz CZYUPKLJEFZXEL-ZIBATOQPSA-N 2 0 316.367 3.752 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000423126094 337700655 /nfs/dbraw/zinc/70/06/55/337700655.db2.gz APRWRQBPHFESFK-COPLHBTASA-N 2 0 301.261 3.814 20 0 DHADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423144995 337701551 /nfs/dbraw/zinc/70/15/51/337701551.db2.gz IPFYFMVTIRNYQU-UTRMSSBJSA-N 2 0 320.427 3.853 20 0 DHADRP CC(C)CCn1nc(C[NH2+][C@H](C)CCCC[NH3+])c2ccccc21 ZINC000423153964 337701992 /nfs/dbraw/zinc/70/19/92/337701992.db2.gz OJKBUZCIPGHXAK-MRXNPFEDSA-N 2 0 316.493 3.690 20 0 DHADRP [NH3+]CC1CCC([NH2+]C/C=C\c2ccc(Br)cc2)CC1 ZINC000423163993 337702106 /nfs/dbraw/zinc/70/21/06/337702106.db2.gz WISIWZBCRNLNNI-UPHRSURJSA-N 2 0 323.278 3.569 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000423164225 337702149 /nfs/dbraw/zinc/70/21/49/337702149.db2.gz SLEVICPLXUDPTO-CMKODMSKSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423167576 337702203 /nfs/dbraw/zinc/70/22/03/337702203.db2.gz SKVMJNCROUCETO-SIUPPRGNSA-N 2 0 306.881 3.954 20 0 DHADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423170424 337702315 /nfs/dbraw/zinc/70/23/15/337702315.db2.gz LVMKIBVKEWCQQO-CSFFLVESSA-N 2 0 302.437 3.582 20 0 DHADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423170425 337702321 /nfs/dbraw/zinc/70/23/21/337702321.db2.gz LVMKIBVKEWCQQO-UWAKZDDMSA-N 2 0 302.437 3.582 20 0 DHADRP FC(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423173139 337702331 /nfs/dbraw/zinc/70/23/31/337702331.db2.gz XCGLFSQCBKYREH-UIEKQHFFSA-N 2 0 300.437 3.711 20 0 DHADRP Fc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218745 337705166 /nfs/dbraw/zinc/70/51/66/337705166.db2.gz VYPHGMRCBLUEHD-FXAWDEMLSA-N 2 0 312.432 3.699 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423221896 337705553 /nfs/dbraw/zinc/70/55/53/337705553.db2.gz YPOBDRQGKZGATE-JZXOWHBKSA-N 2 0 304.478 3.904 20 0 DHADRP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000423241750 337706762 /nfs/dbraw/zinc/70/67/62/337706762.db2.gz VJUQPLRNSDCHKY-OWCLPIDISA-N 2 0 312.379 3.683 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423250989 337707391 /nfs/dbraw/zinc/70/73/91/337707391.db2.gz RITCQDBXLOAPRD-STQMWFEESA-N 2 0 314.445 3.694 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423251217 337707452 /nfs/dbraw/zinc/70/74/52/337707452.db2.gz RPWACMNDLTUALQ-HIFRSBDPSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cccc(Br)c21 ZINC000423253162 337707650 /nfs/dbraw/zinc/70/76/50/337707650.db2.gz VLJHPYVEUJWZJV-LALPHHSUSA-N 2 0 323.278 3.587 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCS2 ZINC000423256767 337707728 /nfs/dbraw/zinc/70/77/28/337707728.db2.gz FXHWPJCTBZIXKJ-WBVHZDCISA-N 2 0 304.503 3.820 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OCC ZINC000423261181 337707839 /nfs/dbraw/zinc/70/78/39/337707839.db2.gz RPCCBUHQHVMHNJ-HZPDHXFCSA-N 2 0 320.477 3.524 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423261867 337708026 /nfs/dbraw/zinc/70/80/26/337708026.db2.gz SZEFMIZZINNXRF-DLBZAZTESA-N 2 0 304.478 3.762 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1OC(F)F ZINC000423268402 337708305 /nfs/dbraw/zinc/70/83/05/337708305.db2.gz DNNPRSKMHIOPOL-WDMOLILDSA-N 2 0 316.367 3.595 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423274303 337708906 /nfs/dbraw/zinc/70/89/06/337708906.db2.gz LUSPTWGEGZAQNX-IAGOWNOFSA-N 2 0 312.457 3.772 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423282773 337709406 /nfs/dbraw/zinc/70/94/06/337709406.db2.gz WXPIOIRBZQSSLQ-NEPJUHHUSA-N 2 0 320.424 3.847 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C2CC2)c1 ZINC000423293859 337710445 /nfs/dbraw/zinc/71/04/45/337710445.db2.gz SFZLGNLIWRMZOE-QVKFZJNVSA-N 2 0 324.468 3.826 20 0 DHADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(-c2ccccc2Cl)s1 ZINC000423307078 337711334 /nfs/dbraw/zinc/71/13/34/337711334.db2.gz VGELLJLMZPSIQZ-NSHDSACASA-N 2 0 306.862 3.939 20 0 DHADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423317201 337711676 /nfs/dbraw/zinc/71/16/76/337711676.db2.gz AMBGVEHCCUTASG-KRWDZBQOSA-N 2 0 312.457 3.964 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CC3(C)CC[NH2+]CC3)ccc2c1 ZINC000423317022 337711705 /nfs/dbraw/zinc/71/17/05/337711705.db2.gz BDLUDCHRCMWZFF-OAHLLOKOSA-N 2 0 312.457 3.889 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423324272 337711915 /nfs/dbraw/zinc/71/19/15/337711915.db2.gz ISTZEBBRHAGVMU-INIZCTEOSA-N 2 0 309.457 3.789 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423328557 337712314 /nfs/dbraw/zinc/71/23/14/337712314.db2.gz KUZMCDPBVKHMQV-LLVKDONJSA-N 2 0 306.397 3.731 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423343844 337713170 /nfs/dbraw/zinc/71/31/70/337713170.db2.gz XISXAFIJWGKPMM-OXQOHEQNSA-N 2 0 309.457 3.789 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC000423352509 337713635 /nfs/dbraw/zinc/71/36/35/337713635.db2.gz BHHLPFJJCWPNQV-QGZVFWFLSA-N 2 0 314.429 3.756 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423357785 337714152 /nfs/dbraw/zinc/71/41/52/337714152.db2.gz ASIPGOBSASEQDT-WBVHZDCISA-N 2 0 309.542 3.525 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1OC(F)F ZINC000423358531 337714263 /nfs/dbraw/zinc/71/42/63/337714263.db2.gz NUPABCSIVJSGCN-LBPRGKRZSA-N 2 0 318.367 3.742 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423400449 337715672 /nfs/dbraw/zinc/71/56/72/337715672.db2.gz VJLDIURLFMLTKQ-CQSZACIVSA-N 2 0 306.409 3.757 20 0 DHADRP Cc1cc([C@H]([NH2+][C@H](C)CCCC[NH3+])c2cccnc2)ccc1F ZINC000423419092 337716557 /nfs/dbraw/zinc/71/65/57/337716557.db2.gz AJTZFHIWSLDTEC-BEFAXECRSA-N 2 0 315.436 3.726 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423424022 337716833 /nfs/dbraw/zinc/71/68/33/337716833.db2.gz CHIAKMHVJVBHCO-ARFHVFGLSA-N 2 0 324.415 3.717 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423425762 337716951 /nfs/dbraw/zinc/71/69/51/337716951.db2.gz HCJUMAZSCYNQPJ-MNOVXSKESA-N 2 0 304.356 3.595 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423392419 337718313 /nfs/dbraw/zinc/71/83/13/337718313.db2.gz QCICHIKCNLAEKM-CYBMUJFWSA-N 2 0 316.395 3.679 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CCCO2 ZINC000423432696 337718931 /nfs/dbraw/zinc/71/89/31/337718931.db2.gz MREQAUNVGNQJBU-BBRMVZONSA-N 2 0 310.869 3.969 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423438705 337719258 /nfs/dbraw/zinc/71/92/58/337719258.db2.gz RSRWJWGNGXUIIZ-ZOFXXKQRSA-N 2 0 324.390 3.539 20 0 DHADRP Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCCC2)o1 ZINC000423443661 337719482 /nfs/dbraw/zinc/71/94/82/337719482.db2.gz QOPZQGABAICLKD-SCTDSRPQSA-N 2 0 302.462 3.797 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(SCC(F)F)cc1 ZINC000423443383 337719566 /nfs/dbraw/zinc/71/95/66/337719566.db2.gz AKUWROZIEPLVLK-NWDGAFQWSA-N 2 0 302.434 3.822 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])sc1Br ZINC000423443986 337719571 /nfs/dbraw/zinc/71/95/71/337719571.db2.gz WCKMUIWAKOLPSX-WDEREUQCSA-N 2 0 319.312 3.987 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423454264 337720292 /nfs/dbraw/zinc/72/02/92/337720292.db2.gz CCRFQXSECHENRJ-LIRLIREKSA-N 2 0 322.905 3.982 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000423457196 337720400 /nfs/dbraw/zinc/72/04/00/337720400.db2.gz HTPLVXVSGYAPNP-IPYPFGDCSA-N 2 0 312.404 3.846 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000423472087 337721302 /nfs/dbraw/zinc/72/13/02/337721302.db2.gz XGTXVYLZZHANCD-NJZAAPMLSA-N 2 0 310.894 3.984 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CCC[C@H]3CCC[NH2+]3)c(C)c2c1 ZINC000423474825 337721385 /nfs/dbraw/zinc/72/13/85/337721385.db2.gz HQTNSKSYEOPKRG-CABCVRRESA-N 2 0 316.445 3.933 20 0 DHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423475900 337721570 /nfs/dbraw/zinc/72/15/70/337721570.db2.gz IFKUNJBVQBARBH-ZBFHGGJFSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423475039 337721575 /nfs/dbraw/zinc/72/15/75/337721575.db2.gz ZRFRUBROJIQWBE-OBJOEFQTSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423491102 337722608 /nfs/dbraw/zinc/72/26/08/337722608.db2.gz JEASGGHEWBKWTB-SCRDCRAPSA-N 2 0 314.445 3.822 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CCC(C(F)(F)F)CC1 ZINC000423491664 337722627 /nfs/dbraw/zinc/72/26/27/337722627.db2.gz ZKCRECPJNYBQRS-VXGQWTEUSA-N 2 0 306.416 3.865 20 0 DHADRP CSCC1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423508511 337723762 /nfs/dbraw/zinc/72/37/62/337723762.db2.gz KNIOXISVQMAONH-VMWRSERWSA-N 2 0 306.519 3.978 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423513797 337724255 /nfs/dbraw/zinc/72/42/55/337724255.db2.gz RMRUISVGDXTING-XFBWCDHKSA-N 2 0 323.278 3.617 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000423523956 337724558 /nfs/dbraw/zinc/72/45/58/337724558.db2.gz JAJNCNOQSJKBEW-IAQYHMDHSA-N 2 0 323.278 3.729 20 0 DHADRP c1ccc(CC(Cc2ccccc2)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423535391 337724877 /nfs/dbraw/zinc/72/48/77/337724877.db2.gz CXFOMERLAUSKMK-UHFFFAOYSA-N 2 0 320.480 3.740 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1OC(F)F ZINC000423543117 337725205 /nfs/dbraw/zinc/72/52/05/337725205.db2.gz MYSJFDHVFRWSKL-KQTLUZQSSA-N 2 0 324.415 3.717 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423543073 337725222 /nfs/dbraw/zinc/72/52/22/337725222.db2.gz MTWBRQWBGWRMGZ-SHFYGJNESA-N 2 0 320.864 3.531 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000423540580 337725230 /nfs/dbraw/zinc/72/52/30/337725230.db2.gz JXRPVQVAHUCPBC-BORJPKMPSA-N 2 0 308.416 3.640 20 0 DHADRP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423545816 337725293 /nfs/dbraw/zinc/72/52/93/337725293.db2.gz PKVFFJSZHLVCPW-MTQWCTHYSA-N 2 0 300.490 3.766 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423549084 337725438 /nfs/dbraw/zinc/72/54/38/337725438.db2.gz HHAAAQLYCGOCHV-CYBMUJFWSA-N 2 0 314.395 3.758 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(F)ccc1F ZINC000423555586 337725480 /nfs/dbraw/zinc/72/54/80/337725480.db2.gz YCCCGOPNWMCDDI-GGKPKWOWSA-N 2 0 308.416 3.640 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000092380945 337903231 /nfs/dbraw/zinc/90/32/31/337903231.db2.gz GAOGGZQVRSWEHG-UHFFFAOYSA-N 2 0 304.409 3.736 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000122685552 337923978 /nfs/dbraw/zinc/92/39/78/337923978.db2.gz CSECUOQWKNWHEO-AWEZNQCLSA-N 2 0 308.441 3.607 20 0 DHADRP C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000514824908 337971359 /nfs/dbraw/zinc/97/13/59/337971359.db2.gz CFQXBIDITLEFKJ-IMJJTQAJSA-N 2 0 314.395 3.700 20 0 DHADRP CSC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC[NH+](C)CC1 ZINC000514852862 337972183 /nfs/dbraw/zinc/97/21/83/337972183.db2.gz XGUKMOBWZKFNIC-INIZCTEOSA-N 2 0 324.921 3.744 20 0 DHADRP CCC[C@@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000516120224 338005799 /nfs/dbraw/zinc/00/57/99/338005799.db2.gz CSKSKAITYCIRGJ-SFHVURJKSA-N 2 0 320.546 3.987 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000428270827 338045052 /nfs/dbraw/zinc/04/50/52/338045052.db2.gz WFEYTMLXEHAHRM-HKUYNNGSSA-N 2 0 315.505 3.565 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428846422 338062059 /nfs/dbraw/zinc/06/20/59/338062059.db2.gz CLUMVGCXPCQIBQ-UHFFFAOYSA-N 2 0 321.465 3.647 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000429027744 338069393 /nfs/dbraw/zinc/06/93/93/338069393.db2.gz BNIVRCUVOVRLTH-OAQYLSRUSA-N 2 0 324.468 3.636 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CC45CCCC5)[C@@H]3C2)cc1 ZINC000429401697 338079757 /nfs/dbraw/zinc/07/97/57/338079757.db2.gz AZYDYBRSMGUIOA-YRPNKDGESA-N 2 0 310.485 3.819 20 0 DHADRP COC1(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCC1 ZINC000429424266 338080492 /nfs/dbraw/zinc/08/04/92/338080492.db2.gz ZPGFEWZVPLISBF-BBWFWOEESA-N 2 0 308.510 3.577 20 0 DHADRP COC1(C[C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCC1 ZINC000429516596 338082804 /nfs/dbraw/zinc/08/28/04/338082804.db2.gz LYXPXTMUENGTKM-QGZVFWFLSA-N 2 0 318.505 3.964 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000430022695 338093648 /nfs/dbraw/zinc/09/36/48/338093648.db2.gz MDEOOCHNBVNZFH-CQSZACIVSA-N 2 0 306.881 3.735 20 0 DHADRP Clc1ccc(CCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430581485 338109056 /nfs/dbraw/zinc/10/90/56/338109056.db2.gz JFQGPKXWIXVGPF-UHFFFAOYSA-N 2 0 306.881 3.737 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431602317 338134621 /nfs/dbraw/zinc/13/46/21/338134621.db2.gz FQZOFXMAPXILFP-QZTJIDSGSA-N 2 0 318.530 3.975 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432257310 338151520 /nfs/dbraw/zinc/15/15/20/338151520.db2.gz JLCVJNONPXNSJN-UHFFFAOYSA-N 2 0 319.251 3.954 20 0 DHADRP CCc1ccc([C@H](CC)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432408269 338155171 /nfs/dbraw/zinc/15/51/71/338155171.db2.gz SQYCNGBQHPKUGJ-XLIONFOSSA-N 2 0 318.505 3.791 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422030 338155952 /nfs/dbraw/zinc/15/59/52/338155952.db2.gz CDUVQJHGPIXKSM-MBOZVWFJSA-N 2 0 316.489 3.716 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(C)c1F ZINC000432431559 338156333 /nfs/dbraw/zinc/15/63/33/338156333.db2.gz WSRVIVGNAYDGOD-IRXDYDNUSA-N 2 0 322.468 3.594 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc2c1 ZINC000432795784 338168232 /nfs/dbraw/zinc/16/82/32/338168232.db2.gz YXWZNQOPJPECNP-LJQANCHMSA-N 2 0 312.457 3.765 20 0 DHADRP COc1cc(C[NH+]2CCC[C@H]2C)cc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000432832528 338169859 /nfs/dbraw/zinc/16/98/59/338169859.db2.gz OWJYCCPRVIIXEG-HZPDHXFCSA-N 2 0 302.462 3.664 20 0 DHADRP CCc1ccc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000433056842 338179054 /nfs/dbraw/zinc/17/90/54/338179054.db2.gz JENRVVFEBHBPDR-FQEVSTJZSA-N 2 0 300.490 3.914 20 0 DHADRP CC[C@@H](F)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433166257 338183745 /nfs/dbraw/zinc/18/37/45/338183745.db2.gz JSBOMXHKJWACPE-GOSISDBHSA-N 2 0 304.453 3.723 20 0 DHADRP C[C@H](C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746612 338224675 /nfs/dbraw/zinc/22/46/75/338224675.db2.gz NZQQJOHMCVOORG-QMMLZNLJSA-N 2 0 323.484 3.810 20 0 DHADRP CCN(Cc1cnc(C2CCCC2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435377984 338238271 /nfs/dbraw/zinc/23/82/71/338238271.db2.gz BSEGGLWRWYPXJX-HNNXBMFYSA-N 2 0 307.507 3.765 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000435384006 338238513 /nfs/dbraw/zinc/23/85/13/338238513.db2.gz LDLCBSJUQGMXOU-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP CCC[C@@H](C)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433547 338240112 /nfs/dbraw/zinc/24/01/12/338240112.db2.gz OJFBZGWCTDSPSG-HUUCEWRRSA-N 2 0 307.507 3.523 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435787456 338249233 /nfs/dbraw/zinc/24/92/33/338249233.db2.gz NKWQULVYFDVFJN-UAPYVXQJSA-N 2 0 318.424 3.612 20 0 DHADRP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCC1 ZINC000436301484 338267617 /nfs/dbraw/zinc/26/76/17/338267617.db2.gz ZGQPVDKCGSIKQQ-AEFFLSMTSA-N 2 0 308.510 3.721 20 0 DHADRP CSc1ccc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000436306795 338268087 /nfs/dbraw/zinc/26/80/87/338268087.db2.gz PGFMMJPDNJVBIQ-UHFFFAOYSA-N 2 0 306.519 3.804 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)CC1 ZINC000436307218 338268141 /nfs/dbraw/zinc/26/81/41/338268141.db2.gz QOXDVNQBKZLVPI-RTBURBONSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000437576100 338313870 /nfs/dbraw/zinc/31/38/70/338313870.db2.gz FIEAVQXXISJEFZ-INIZCTEOSA-N 2 0 304.453 3.737 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)o1 ZINC000155925129 338320031 /nfs/dbraw/zinc/32/00/31/338320031.db2.gz IRHHHDWKIFIRRK-UHFFFAOYSA-N 2 0 300.446 3.974 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000437799292 338322105 /nfs/dbraw/zinc/32/21/05/338322105.db2.gz LVUVPYCNJQWLIG-QUCCMNQESA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H](C[NH2+]CCCCOc1ccccc1)C[NH+]1CCCCC1 ZINC000438078144 338330185 /nfs/dbraw/zinc/33/01/85/338330185.db2.gz KJLWQXZCEHRTGE-SFHVURJKSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000438085339 338330557 /nfs/dbraw/zinc/33/05/57/338330557.db2.gz BLDCFWDLEVUGMZ-IRXDYDNUSA-N 2 0 306.469 3.858 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438117479 338332923 /nfs/dbraw/zinc/33/29/23/338332923.db2.gz VSABBBDNRLSJLJ-PMACEKPBSA-N 2 0 300.490 3.770 20 0 DHADRP CN(CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000438203825 338336505 /nfs/dbraw/zinc/33/65/05/338336505.db2.gz RLMLFRNZAFHCHM-ZIAGYGMSSA-N 2 0 306.416 3.962 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000440698809 338395351 /nfs/dbraw/zinc/39/53/51/338395351.db2.gz WWXYNNTWCOWFEY-WMLDXEAASA-N 2 0 310.482 3.580 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C(C)(C)C ZINC000442777571 338430602 /nfs/dbraw/zinc/43/06/02/338430602.db2.gz GGFGKYJBWMEYQD-LIRRHRJNSA-N 2 0 313.489 3.591 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](COC)C1CCCC1 ZINC000446746408 338534665 /nfs/dbraw/zinc/53/46/65/338534665.db2.gz UMERWWRZYCZDKK-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446889312 338539703 /nfs/dbraw/zinc/53/97/03/338539703.db2.gz VIXRKZXDWSNXAL-FPOVZHCZSA-N 2 0 312.501 3.862 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446890803 338539888 /nfs/dbraw/zinc/53/98/88/338539888.db2.gz PLVBDWOBSIOWJY-PMACEKPBSA-N 2 0 316.464 3.926 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447576087 338558203 /nfs/dbraw/zinc/55/82/03/338558203.db2.gz ALHWMLYDLMGIQW-JLTOFOAXSA-N 2 0 316.464 3.913 20 0 DHADRP C[NH+]1CCC(CC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449130899 338595825 /nfs/dbraw/zinc/59/58/25/338595825.db2.gz IPOJJUSNQLPNPK-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449170980 338598956 /nfs/dbraw/zinc/59/89/56/338598956.db2.gz JVTVRFCXOOEVNQ-VZDIDWBNSA-N 2 0 308.510 3.719 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)CC1 ZINC000449214812 338603110 /nfs/dbraw/zinc/60/31/10/338603110.db2.gz YRDFVVMJRJBJFK-XBMUEBEBSA-N 2 0 320.521 3.721 20 0 DHADRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc2ccccc21 ZINC000449288788 338609845 /nfs/dbraw/zinc/60/98/45/338609845.db2.gz OCXWEXFDIZZRPA-UHFFFAOYSA-N 2 0 324.468 3.812 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000449593963 338640334 /nfs/dbraw/zinc/64/03/34/338640334.db2.gz QACAULGGEFBWSV-UHFFFAOYSA-N 2 0 300.490 3.644 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000453117868 338795920 /nfs/dbraw/zinc/79/59/20/338795920.db2.gz JRNIFZIWASODFQ-AEFFLSMTSA-N 2 0 305.510 3.749 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459309880 339020876 /nfs/dbraw/zinc/02/08/76/339020876.db2.gz WFTBZZXRPIKBKF-UHFFFAOYSA-N 2 0 302.453 3.866 20 0 DHADRP Fc1ccc(C2(C[NH2+]C3CCN(C4CC4)CC3)CCCC2)cc1 ZINC000459391339 339026477 /nfs/dbraw/zinc/02/64/77/339026477.db2.gz OVIWIFCSWOVPGM-UHFFFAOYSA-N 2 0 316.464 3.854 20 0 DHADRP CC(C)C1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459432269 339028814 /nfs/dbraw/zinc/02/88/14/339028814.db2.gz KXBREJUTJYDZHB-UHFFFAOYSA-N 2 0 301.478 3.855 20 0 DHADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459466991 339030876 /nfs/dbraw/zinc/03/08/76/339030876.db2.gz QCSNKFDMIDJOHV-IERDGZPVSA-N 2 0 321.468 3.964 20 0 DHADRP CC(C)[C@@H](C[NH2+]C1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000459491865 339032526 /nfs/dbraw/zinc/03/25/26/339032526.db2.gz DJFOLAXUWRHOMO-GOSISDBHSA-N 2 0 300.490 3.718 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459639716 339039736 /nfs/dbraw/zinc/03/97/36/339039736.db2.gz VWBFMLPEJJHYRH-OWYHZJEWSA-N 2 0 308.510 3.575 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459657316 339040970 /nfs/dbraw/zinc/04/09/70/339040970.db2.gz HRJZGFRNKXTOFN-AWEZNQCLSA-N 2 0 311.454 3.777 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459666336 339041619 /nfs/dbraw/zinc/04/16/19/339041619.db2.gz LUHMEDRMZIJRIG-VPWBDBDCSA-N 2 0 308.828 3.551 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000459722427 339044244 /nfs/dbraw/zinc/04/42/44/339044244.db2.gz BHWRUSBBLDLRNW-LBPRGKRZSA-N 2 0 318.358 3.666 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC000459725968 339044568 /nfs/dbraw/zinc/04/45/68/339044568.db2.gz FTZAJFWTCASDPY-HNNXBMFYSA-N 2 0 315.486 3.632 20 0 DHADRP CC(C)COc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459728474 339044658 /nfs/dbraw/zinc/04/46/58/339044658.db2.gz IBDMSEFSAAIONN-QGZVFWFLSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728037 339044715 /nfs/dbraw/zinc/04/47/15/339044715.db2.gz CLDFHTSKIZBYSW-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP C[NH+]1CCC(CC[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000167505067 339053540 /nfs/dbraw/zinc/05/35/40/339053540.db2.gz QDPMDRDFJMWQGG-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP c1ccc([C@H](C[NH+]2CCCC2)Nc2cc[nH+]c3ccccc23)cc1 ZINC000461446287 339063987 /nfs/dbraw/zinc/06/39/87/339063987.db2.gz SYAZBSLLHBNARL-NRFANRHFSA-N 2 0 317.436 3.906 20 0 DHADRP COc1ccc(F)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000462798360 339089575 /nfs/dbraw/zinc/08/95/75/339089575.db2.gz KNOQBVCPIKUCHN-HOTGVXAUSA-N 2 0 322.468 3.682 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000463025050 339101123 /nfs/dbraw/zinc/10/11/23/339101123.db2.gz NRLSSDVXMVPAAI-FGTMMUONSA-N 2 0 310.526 3.536 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCC2CCOCC2)C1 ZINC000463281234 339113165 /nfs/dbraw/zinc/11/31/65/339113165.db2.gz PFXIQGSOXJWQIV-ICSRJNTNSA-N 2 0 322.537 3.780 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)C1 ZINC000466347974 339200349 /nfs/dbraw/zinc/20/03/49/339200349.db2.gz UTZAHIHOJBATPY-LMMKCTJWSA-N 2 0 320.521 3.578 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](CCC2CCCCC2)CC1 ZINC000467160666 339227207 /nfs/dbraw/zinc/22/72/07/339227207.db2.gz FXJOGKMKMPQKDS-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000467342332 339232664 /nfs/dbraw/zinc/23/26/64/339232664.db2.gz SVUKEIXIXOEOFL-GUDVDZBRSA-N 2 0 315.505 3.738 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000467363700 339234151 /nfs/dbraw/zinc/23/41/51/339234151.db2.gz DLIFMDLVKKFQSW-YDZRNGNQSA-N 2 0 315.505 3.879 20 0 DHADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC1CCCC1 ZINC000467434732 339238261 /nfs/dbraw/zinc/23/82/61/339238261.db2.gz WEZXFZVUGUGPKI-SFHVURJKSA-N 2 0 322.537 3.562 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000467435338 339238450 /nfs/dbraw/zinc/23/84/50/339238450.db2.gz XVRKJWFJBTVJHC-BQFCYCMXSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000468034557 339251979 /nfs/dbraw/zinc/25/19/79/339251979.db2.gz XAFMEJHRCKHLJA-NFAWXSAZSA-N 2 0 306.416 3.960 20 0 DHADRP CCCCOc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000468395078 339261647 /nfs/dbraw/zinc/26/16/47/339261647.db2.gz XNFWWNUPFHCKSS-HKUYNNGSSA-N 2 0 316.489 3.782 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CCN1C ZINC000468556888 339266355 /nfs/dbraw/zinc/26/63/55/339266355.db2.gz XCTMLMJLUGMCDV-MDNKFWRPSA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCC2CCCCC2)CC1 ZINC000468560376 339266473 /nfs/dbraw/zinc/26/64/73/339266473.db2.gz NJZOVMGKBBPNNE-KRWDZBQOSA-N 2 0 310.526 3.560 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000468901256 339274251 /nfs/dbraw/zinc/27/42/51/339274251.db2.gz HKRVMPXXXNIHBV-QGZVFWFLSA-N 2 0 318.505 3.966 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000469303689 339285658 /nfs/dbraw/zinc/28/56/58/339285658.db2.gz VPUKKUANRISQPR-ZIFCJYIRSA-N 2 0 318.505 3.992 20 0 DHADRP C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000469806763 339301358 /nfs/dbraw/zinc/30/13/58/339301358.db2.gz LEWNRQOBUJFWKU-CVEARBPZSA-N 2 0 304.478 3.856 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000470003567 339308004 /nfs/dbraw/zinc/30/80/04/339308004.db2.gz RYAISYYOPIMXRH-UHFFFAOYSA-N 2 0 300.471 3.847 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000470003721 339308141 /nfs/dbraw/zinc/30/81/41/339308141.db2.gz SQJRACTXXLFULJ-UHFFFAOYSA-N 2 0 316.420 3.907 20 0 DHADRP CCC[N@H+](Cc1ccc2cc(OC)ccc2c1)C1CC[NH2+]CC1 ZINC000470010787 339308408 /nfs/dbraw/zinc/30/84/08/339308408.db2.gz BMANNGHUSOBARJ-UHFFFAOYSA-N 2 0 312.457 3.812 20 0 DHADRP c1c2ccccc2sc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000470013724 339308508 /nfs/dbraw/zinc/30/85/08/339308508.db2.gz QLHREJIVFUOPAO-QGZVFWFLSA-N 2 0 300.471 3.865 20 0 DHADRP Cc1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c(C)c1 ZINC000471020200 339334586 /nfs/dbraw/zinc/33/45/86/339334586.db2.gz SZBYGQLFSDBRKB-LJQANCHMSA-N 2 0 300.490 3.969 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCCC34CC[NH+](C)CC4)ccc2c1 ZINC000472609945 339375254 /nfs/dbraw/zinc/37/52/54/339375254.db2.gz KQOXKRASPLHIFN-UHFFFAOYSA-N 2 0 324.468 3.909 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000474033257 339398020 /nfs/dbraw/zinc/39/80/20/339398020.db2.gz NXCMGAQDDBKEEE-GOSISDBHSA-N 2 0 304.478 3.738 20 0 DHADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc2c(c1)COC2 ZINC000480034174 339556203 /nfs/dbraw/zinc/55/62/03/339556203.db2.gz JOSQWZYKLGJWNG-ZDUSSCGKSA-N 2 0 302.462 3.677 20 0 DHADRP COc1ccc(Cl)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000484076449 339680602 /nfs/dbraw/zinc/68/06/02/339680602.db2.gz JBGBAVGKGQHZAQ-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000484505725 339688588 /nfs/dbraw/zinc/68/85/88/339688588.db2.gz VSKITCCOIALGOY-FRQCXROJSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CC1(C)C ZINC000487266780 339747959 /nfs/dbraw/zinc/74/79/59/339747959.db2.gz JBWBQBQQIGQVLC-MAUKXSAKSA-N 2 0 304.478 3.541 20 0 DHADRP Fc1ccc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000488327093 339777187 /nfs/dbraw/zinc/77/71/87/339777187.db2.gz MJZWCFXREXGUKB-UHFFFAOYSA-N 2 0 315.436 3.615 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500429239 340058386 /nfs/dbraw/zinc/05/83/86/340058386.db2.gz NKWQCEFDDGGKGD-GGPKGHCWSA-N 2 0 318.505 3.690 20 0 DHADRP CCC[C@H](NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccn1 ZINC000500646064 340064489 /nfs/dbraw/zinc/06/44/89/340064489.db2.gz DXJKBNQBTBUEGA-BZSNNMDCSA-N 2 0 303.494 3.880 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)Cc1ccc2cc(OC)ccc2c1 ZINC000501144834 340075102 /nfs/dbraw/zinc/07/51/02/340075102.db2.gz WFHFGODDWWCRHB-UHFFFAOYSA-N 2 0 300.446 3.622 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000501375481 340079393 /nfs/dbraw/zinc/07/93/93/340079393.db2.gz BNVCCHQAFBZDJI-ROUUACIJSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000501416396 340080404 /nfs/dbraw/zinc/08/04/04/340080404.db2.gz DOSVSYBATUJXSA-ROUUACIJSA-N 2 0 318.505 3.964 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CCOC)cc1 ZINC000502684205 340110237 /nfs/dbraw/zinc/11/02/37/340110237.db2.gz AKYLGBPHJYEULA-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H]1CCOC)[NH+]1CCCC1 ZINC000502686637 340110411 /nfs/dbraw/zinc/11/04/11/340110411.db2.gz KOWKUZFIGQLCMT-FHWLQOOXSA-N 2 0 310.526 3.682 20 0 DHADRP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](C)C2CC2)cc1 ZINC000502719486 340112038 /nfs/dbraw/zinc/11/20/38/340112038.db2.gz BWTSYUNOFSPCGF-LPHOPBHVSA-N 2 0 316.489 3.780 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000502725611 340112469 /nfs/dbraw/zinc/11/24/69/340112469.db2.gz XXXXOICSMOIJTE-UFYCRDLUSA-N 2 0 322.537 3.826 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000506894320 340203396 /nfs/dbraw/zinc/20/33/96/340203396.db2.gz WCTALRCIEXPAAJ-UHFFFAOYSA-N 2 0 306.837 3.860 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000506926732 340203722 /nfs/dbraw/zinc/20/37/22/340203722.db2.gz GLTFBCUMWBOURR-UHFFFAOYSA-N 2 0 310.432 3.909 20 0 DHADRP COc1c(C)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000506942949 340204064 /nfs/dbraw/zinc/20/40/64/340204064.db2.gz DMYRKWFSUZLUBA-UHFFFAOYSA-N 2 0 316.489 3.620 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507447438 340220103 /nfs/dbraw/zinc/22/01/03/340220103.db2.gz HTOWBJHZZFSCAN-KDOFPFPSSA-N 2 0 304.453 3.771 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000507468948 340221124 /nfs/dbraw/zinc/22/11/24/340221124.db2.gz JDWWJSJVMBYEKA-AWEZNQCLSA-N 2 0 308.429 3.804 20 0 DHADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1Cl ZINC000507623959 340226622 /nfs/dbraw/zinc/22/66/22/340226622.db2.gz JCAWSYSXKNGRAB-UHFFFAOYSA-N 2 0 306.881 3.956 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000510668410 340305747 /nfs/dbraw/zinc/30/57/47/340305747.db2.gz IWEKTFSGPQDGGW-HMXCVIKNSA-N 2 0 312.501 3.719 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510669027 340305767 /nfs/dbraw/zinc/30/57/67/340305767.db2.gz KNAOHQSPIZJWJD-PMACEKPBSA-N 2 0 316.489 3.685 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510699658 340307180 /nfs/dbraw/zinc/30/71/80/340307180.db2.gz HUTHIKYAZZGSOL-CQSZACIVSA-N 2 0 310.432 3.748 20 0 DHADRP CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729247 340308330 /nfs/dbraw/zinc/30/83/30/340308330.db2.gz CRKTXPAHHHITOY-PMUMKWKESA-N 2 0 310.432 3.604 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000510735347 340308758 /nfs/dbraw/zinc/30/87/58/340308758.db2.gz NTROWCVGFXHOCQ-QLFBSQMISA-N 2 0 308.416 3.502 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000510873905 340313619 /nfs/dbraw/zinc/31/36/19/340313619.db2.gz HPPHQUQWSZFTOC-SAPNQHFASA-N 2 0 316.489 3.558 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000511503104 340328961 /nfs/dbraw/zinc/32/89/61/340328961.db2.gz FYOUZKJDCRAKJT-QGZVFWFLSA-N 2 0 318.505 3.671 20 0 DHADRP COCCC[NH+]1CCC([NH2+]CC2CCC(C(C)C)CC2)CC1 ZINC000512089977 340348157 /nfs/dbraw/zinc/34/81/57/340348157.db2.gz UHVHSDKMPJTLMV-UHFFFAOYSA-N 2 0 310.526 3.539 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000512181718 340351185 /nfs/dbraw/zinc/35/11/85/340351185.db2.gz PYSYMURJNLJPEQ-INIZCTEOSA-N 2 0 322.443 3.909 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000512963146 340385759 /nfs/dbraw/zinc/38/57/59/340385759.db2.gz AFZWKIPYFKUOTN-MJGOQNOKSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513221009 340397994 /nfs/dbraw/zinc/39/79/94/340397994.db2.gz ASGSMFAAONUSFG-MRXNPFEDSA-N 2 0 316.489 3.710 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000513716625 340421469 /nfs/dbraw/zinc/42/14/69/340421469.db2.gz FOWSORYQBUTMPC-UHFFFAOYSA-N 2 0 315.486 3.773 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(-c2cccnc2)cc1 ZINC000517730968 340476360 /nfs/dbraw/zinc/47/63/60/340476360.db2.gz SEZYVIOFJHYSMM-LSWWBPAMSA-N 2 0 309.457 3.917 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000521859007 340536881 /nfs/dbraw/zinc/53/68/81/340536881.db2.gz MSUUIYXYAYUGJN-OAHLLOKOSA-N 2 0 316.367 3.626 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000191822092 340559239 /nfs/dbraw/zinc/55/92/39/340559239.db2.gz HQSHHDVOGQUWAP-QGZVFWFLSA-N 2 0 303.494 3.669 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194026898 340588118 /nfs/dbraw/zinc/58/81/18/340588118.db2.gz BYRDNCDYHZWDGR-GOSISDBHSA-N 2 0 324.896 3.739 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000227329374 340598038 /nfs/dbraw/zinc/59/80/38/340598038.db2.gz MRUXPDOYXNNAQA-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccsc2S1 ZINC000227495447 340599521 /nfs/dbraw/zinc/59/95/21/340599521.db2.gz FIDAFABYDAMPFQ-JSGCOSHPSA-N 2 0 310.532 3.995 20 0 DHADRP CC[C@@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000530218707 340783011 /nfs/dbraw/zinc/78/30/11/340783011.db2.gz MZZLRJNQHZBRIB-QAPCUYQASA-N 2 0 311.473 3.911 20 0 DHADRP CC[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000530218674 340783021 /nfs/dbraw/zinc/78/30/21/340783021.db2.gz MZZLRJNQHZBRIB-CRAIPNDOSA-N 2 0 311.473 3.911 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000123778307 340794900 /nfs/dbraw/zinc/79/49/00/340794900.db2.gz HYZADNPCYZYYFD-CABCVRRESA-N 2 0 310.457 3.995 20 0 DHADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000538752476 340847649 /nfs/dbraw/zinc/84/76/49/340847649.db2.gz OERGOVZMCKVQKQ-CRAIPNDOSA-N 2 0 304.478 3.957 20 0 DHADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000540597544 340937679 /nfs/dbraw/zinc/93/76/79/340937679.db2.gz RTNMFCOGZYEMBI-QZTJIDSGSA-N 2 0 308.510 3.577 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000541739657 340981779 /nfs/dbraw/zinc/98/17/79/340981779.db2.gz OKOZFCKBNQJGNU-QGZVFWFLSA-N 2 0 314.473 3.849 20 0 DHADRP c1c(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)nc2n1CCCC2 ZINC000130471138 341022679 /nfs/dbraw/zinc/02/26/79/341022679.db2.gz OLQWILUNNQEFQH-MSOLQXFVSA-N 2 0 309.457 3.688 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000130622437 341033969 /nfs/dbraw/zinc/03/39/69/341033969.db2.gz BNRFZVGVFZTBRM-INIZCTEOSA-N 2 0 308.466 3.684 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]CCc2cn3ccccc3n2)C2CC2)cc1 ZINC000130709769 341039867 /nfs/dbraw/zinc/03/98/67/341039867.db2.gz QOLKNKVWDOLKMK-HXUWFJFHSA-N 2 0 319.452 3.796 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCn2c3ccccc3c3ccccc32)CC[N@@H+]1C ZINC000543427631 341043949 /nfs/dbraw/zinc/04/39/49/341043949.db2.gz QNOCULXRPLIWFZ-SJORKVTESA-N 2 0 321.468 3.867 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543711094 341054779 /nfs/dbraw/zinc/05/47/79/341054779.db2.gz UBIKZFKQQXRAOT-HNAYVOBHSA-N 2 0 302.437 3.693 20 0 DHADRP FC(F)(F)CSCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000543770991 341057847 /nfs/dbraw/zinc/05/78/47/341057847.db2.gz IHTQNTIMFMBNCG-UHFFFAOYSA-N 2 0 324.456 3.669 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000131435173 341087505 /nfs/dbraw/zinc/08/75/05/341087505.db2.gz OQMIJPFPAVIVGF-MRXNPFEDSA-N 3 0 314.477 3.563 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000132069039 341115822 /nfs/dbraw/zinc/11/58/22/341115822.db2.gz MCRBNPQETYNKST-XCDZQEORSA-N 2 0 310.526 3.538 20 0 DHADRP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000548154153 341249876 /nfs/dbraw/zinc/24/98/76/341249876.db2.gz KDULSZDYQQSLJY-BHIYHBOVSA-N 2 0 318.505 3.548 20 0 DHADRP Cc1ccc(C(=O)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000548159178 341250321 /nfs/dbraw/zinc/25/03/21/341250321.db2.gz HYRJBEFZCHMAIU-UHFFFAOYSA-N 2 0 316.489 3.620 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000549350044 341292052 /nfs/dbraw/zinc/29/20/52/341292052.db2.gz KZNHILFXASHKMV-UHFFFAOYSA-N 2 0 300.899 3.954 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000549613307 341298993 /nfs/dbraw/zinc/29/89/93/341298993.db2.gz DHZSICBVDMJVNR-SLFFLAALSA-N 2 0 322.537 3.559 20 0 DHADRP CSC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245771232 341314308 /nfs/dbraw/zinc/31/43/08/341314308.db2.gz XGMFESZGHSNUGF-NRSFXHEJSA-N 2 0 304.503 3.523 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCCC2 ZINC000551264398 341335977 /nfs/dbraw/zinc/33/59/77/341335977.db2.gz ZACZLYYUAWLMMM-ROUUACIJSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000551265706 341336144 /nfs/dbraw/zinc/33/61/44/341336144.db2.gz YRMTYADLXRGKKP-JCHJZTRSSA-N 2 0 304.453 3.625 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000246300753 341340924 /nfs/dbraw/zinc/34/09/24/341340924.db2.gz DAAXCXKUOHCZNF-CVEARBPZSA-N 2 0 322.468 3.853 20 0 DHADRP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246433576 341348659 /nfs/dbraw/zinc/34/86/59/341348659.db2.gz CTECLFZDMDUEPH-QFUCXCTJSA-N 2 0 312.501 3.956 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000246592223 341354112 /nfs/dbraw/zinc/35/41/12/341354112.db2.gz ZMSJUYYWDXPTLU-SJORKVTESA-N 2 0 304.478 3.714 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000246864570 341357923 /nfs/dbraw/zinc/35/79/23/341357923.db2.gz CQRPLHAMQNSHDA-JYYAWHABSA-N 2 0 324.896 3.816 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000246894971 341358365 /nfs/dbraw/zinc/35/83/65/341358365.db2.gz FOEZZVBTIWXZTK-NHYWBVRUSA-N 2 0 313.272 3.912 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cccs2)[C@H](C)C1 ZINC000247003478 341359743 /nfs/dbraw/zinc/35/97/43/341359743.db2.gz KTXFLCRUAMRVJZ-ZACQAIPSSA-N 2 0 324.534 3.926 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552033102 341363362 /nfs/dbraw/zinc/36/33/62/341363362.db2.gz MNFMMWYTMIPICJ-BPUTZDHNSA-N 2 0 313.272 3.956 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000248041187 341372612 /nfs/dbraw/zinc/37/26/12/341372612.db2.gz SWAKVVBQFHDCFE-WMLDXEAASA-N 2 0 310.482 3.628 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248397625 341376417 /nfs/dbraw/zinc/37/64/17/341376417.db2.gz IFDGSNBLKCYBFO-JZXOWHBKSA-N 2 0 316.489 3.999 20 0 DHADRP CSCCCCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000248567311 341380131 /nfs/dbraw/zinc/38/01/31/341380131.db2.gz PEYKFVXFVVEMRM-FUHWJXTLSA-N 2 0 306.519 3.945 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248572392 341380247 /nfs/dbraw/zinc/38/02/47/341380247.db2.gz MXXHQSONDPMOQF-FGTMMUONSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248863853 341388793 /nfs/dbraw/zinc/38/87/93/341388793.db2.gz SMIFOPWBCLLQOT-XJKCOSOUSA-N 2 0 314.395 3.832 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000248961435 341390809 /nfs/dbraw/zinc/39/08/09/341390809.db2.gz BEYQKVVHZNLIHP-GPMSIDNRSA-N 2 0 304.478 3.602 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249095944 341393824 /nfs/dbraw/zinc/39/38/24/341393824.db2.gz LXZOBRMFHFXMAG-UWJYYQICSA-N 2 0 324.443 3.925 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249269286 341395632 /nfs/dbraw/zinc/39/56/32/341395632.db2.gz JRGRBHRGJYDKEF-RBSFLKMASA-N 2 0 306.416 3.818 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000249385224 341396950 /nfs/dbraw/zinc/39/69/50/341396950.db2.gz ZEUVYHUCROTTOA-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000249383684 341396998 /nfs/dbraw/zinc/39/69/98/341396998.db2.gz WJTSDFUVUGDDML-OCCSQVGLSA-N 2 0 309.523 3.741 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000554734271 341462567 /nfs/dbraw/zinc/46/25/67/341462567.db2.gz IDRMPFYMPQXYKS-IIBYNOLFSA-N 2 0 324.468 3.965 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000564509414 341502899 /nfs/dbraw/zinc/50/28/99/341502899.db2.gz XQOPZVMZNCIBPQ-GOSISDBHSA-N 2 0 310.432 3.983 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000564509434 341502962 /nfs/dbraw/zinc/50/29/62/341502962.db2.gz XQOPZVMZNCIBPQ-SFHVURJKSA-N 2 0 310.432 3.983 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000564649651 341505970 /nfs/dbraw/zinc/50/59/70/341505970.db2.gz IZHZWJXNDGNAKU-CPUCHLNUSA-N 2 0 300.450 3.524 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000565549790 341530665 /nfs/dbraw/zinc/53/06/65/341530665.db2.gz SIIFDYLKWNMTIE-UONOGXRCSA-N 2 0 321.877 3.823 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000267286792 341590516 /nfs/dbraw/zinc/59/05/16/341590516.db2.gz WRVLBQYITSRVAO-LJQANCHMSA-N 2 0 300.421 3.847 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000573082236 341716460 /nfs/dbraw/zinc/71/64/60/341716460.db2.gz AMABXVIVPHZQJE-AUUYWEPGSA-N 2 0 310.441 3.882 20 0 DHADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000576269209 341837158 /nfs/dbraw/zinc/83/71/58/341837158.db2.gz IARKCBZGRNBNTD-LWYYNNOASA-N 2 0 313.489 3.547 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000580638995 341890409 /nfs/dbraw/zinc/89/04/09/341890409.db2.gz FDGDMHOENWJDET-CRAIPNDOSA-N 2 0 323.912 3.584 20 0 DHADRP CC(C)[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177586400 341921559 /nfs/dbraw/zinc/92/15/59/341921559.db2.gz ONTBKVRHAMXTLJ-KRWDZBQOSA-N 2 0 317.521 3.599 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000577795793 341937108 /nfs/dbraw/zinc/93/71/08/341937108.db2.gz VJBXGXIQEGCKCD-QGZVFWFLSA-N 2 0 320.452 3.533 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000577976320 341962297 /nfs/dbraw/zinc/96/22/97/341962297.db2.gz JXBHPQMBFYYEHT-SFHVURJKSA-N 2 0 310.432 3.983 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000365074370 519722330 /nfs/dbraw/zinc/72/23/30/519722330.db2.gz VYKBLOGTQSKZTO-YSTOQKLRSA-N 2 0 322.537 3.539 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000181920519 519732762 /nfs/dbraw/zinc/73/27/62/519732762.db2.gz UHSDWHJQFBIQKY-CYBMUJFWSA-N 2 0 317.477 3.605 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941451 519820972 /nfs/dbraw/zinc/82/09/72/519820972.db2.gz SZFIGZMWXGUUOO-ACJLOTCBSA-N 2 0 308.416 3.736 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337330085 519843327 /nfs/dbraw/zinc/84/33/27/519843327.db2.gz GEGPJQGSKOHWEY-ICSRJNTNSA-N 2 0 315.505 3.819 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cn1 ZINC000158201550 519978190 /nfs/dbraw/zinc/97/81/90/519978190.db2.gz WTHGKGIKMZMPHU-KRWDZBQOSA-N 2 0 306.498 3.627 20 0 DHADRP CC(C)n1nccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000337177274 520101415 /nfs/dbraw/zinc/10/14/15/520101415.db2.gz JMEYHACSVFUFLQ-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192903976 521548682 /nfs/dbraw/zinc/54/86/82/521548682.db2.gz BPFFNYKBSIMZFO-LJQANCHMSA-N 2 0 301.478 3.645 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccs2)[C@H](C)C1 ZINC000154483587 521707832 /nfs/dbraw/zinc/70/78/32/521707832.db2.gz AYTHYABSPIZFLN-OWCLPIDISA-N 2 0 310.507 3.536 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000337340903 521905124 /nfs/dbraw/zinc/90/51/24/521905124.db2.gz PUBGZRVOEBSRCO-TZIWHRDSSA-N 2 0 323.484 3.959 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000337340900 521907199 /nfs/dbraw/zinc/90/71/99/521907199.db2.gz PUBGZRVOEBSRCO-CTNGQTDRSA-N 2 0 323.484 3.959 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C[NH+]1CCCCC1 ZINC000337330098 524498418 /nfs/dbraw/zinc/49/84/18/524498418.db2.gz GEPWHLPBAKLLNU-QWFCFKBJSA-N 2 0 315.505 3.819 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000156035399 524804544 /nfs/dbraw/zinc/80/45/44/524804544.db2.gz YQSODXDOWDEFAO-PXNSSMCTSA-N 2 0 308.469 3.891 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000162523729 524829163 /nfs/dbraw/zinc/82/91/63/524829163.db2.gz XDPVXSVLDMDGOL-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP C[C@@H](F)CC[NH+]1CCCC2(CCC[N@@H+](CC[C@@H](C)F)C2)C1 ZINC000368240405 524972672 /nfs/dbraw/zinc/97/26/72/524972672.db2.gz JCVPCXXZFDMNCT-YNPPLXCJSA-N 2 0 302.453 3.661 20 0 DHADRP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000162506529 525886584 /nfs/dbraw/zinc/88/65/84/525886584.db2.gz JVHDMPMZKHPFCQ-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP Cc1nocc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000339177693 526692946 /nfs/dbraw/zinc/69/29/46/526692946.db2.gz ADVVDASASKBRPF-UHFFFAOYSA-N 2 0 313.445 3.505 20 0 DHADRP Cn1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000124600158 527358996 /nfs/dbraw/zinc/35/89/96/527358996.db2.gz LFSYFZKNUPPZRX-UHFFFAOYSA-N 2 0 311.473 3.691 20 0 DHADRP Cn1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000124561788 527359173 /nfs/dbraw/zinc/35/91/73/527359173.db2.gz KPLXJKOZDNZHCU-UHFFFAOYSA-N 2 0 311.473 3.691 20 0 DHADRP C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC1CCCCCC1 ZINC000441392418 1013106447 /nfs/dbraw/zinc/10/64/47/1013106447.db2.gz IUDCRSIRYGLXJC-PXNSSMCTSA-N 2 0 320.521 3.675 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048073 1013195155 /nfs/dbraw/zinc/19/51/55/1013195155.db2.gz DWXMXTWDCRYYGZ-INIZCTEOSA-N 2 0 305.466 3.606 20 0 DHADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048629 1013198316 /nfs/dbraw/zinc/19/83/16/1013198316.db2.gz JCXIHKAPTVEGEP-MOPGFXCFSA-N 2 0 310.526 3.564 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1cc(F)ccc1F ZINC000519411443 1013318056 /nfs/dbraw/zinc/31/80/56/1013318056.db2.gz GIFBIXHDEVKLHD-IBGZPJMESA-N 2 0 316.395 3.851 20 0 DHADRP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1 ZINC001167970801 1013386621 /nfs/dbraw/zinc/38/66/21/1013386621.db2.gz NIYZSUFEFFJWLJ-AYHJJNSGSA-N 2 0 320.427 3.502 20 0 DHADRP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)Cc2ccccc2C1 ZINC001167972855 1013405092 /nfs/dbraw/zinc/40/50/92/1013405092.db2.gz CXVFPSPKNXSHSQ-IHWFROFDSA-N 2 0 310.485 3.539 20 0 DHADRP CC(C)CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167975080 1013422432 /nfs/dbraw/zinc/42/24/32/1013422432.db2.gz GQWLISJYRTXFKV-YQQQUEKLSA-N 2 0 320.521 3.577 20 0 DHADRP FC1(F)CCC2(C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975403 1013433844 /nfs/dbraw/zinc/43/38/44/1013433844.db2.gz OOTKSZXHBYLSQM-HMQMGEFJSA-N 2 0 324.459 3.949 20 0 DHADRP CC1(C)C[N@H+](CCCF)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837760 1013449440 /nfs/dbraw/zinc/44/94/40/1013449440.db2.gz YNWFTHBCFJGRPF-LJQANCHMSA-N 2 0 318.480 3.969 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894765027 1013484642 /nfs/dbraw/zinc/48/46/42/1013484642.db2.gz GFTVIZKRSRBASH-LBPRGKRZSA-N 2 0 323.893 3.770 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000519578686 1013493792 /nfs/dbraw/zinc/49/37/92/1013493792.db2.gz GHRPEOPESMXJHR-WNKDZCFJSA-N 2 0 301.478 3.542 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@@H]3C)c2)[C@H]1C ZINC000519578687 1013494358 /nfs/dbraw/zinc/49/43/58/1013494358.db2.gz GHRPEOPESMXJHR-YVSFHVDLSA-N 2 0 301.478 3.542 20 0 DHADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000634678570 1013519175 /nfs/dbraw/zinc/51/91/75/1013519175.db2.gz YKXFQWODLOZQRI-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000634678761 1013522798 /nfs/dbraw/zinc/52/27/98/1013522798.db2.gz CHZOWROUCPXBED-GOSISDBHSA-N 2 0 304.478 3.576 20 0 DHADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(OC2CCCC2)c1 ZINC000262071203 1013539276 /nfs/dbraw/zinc/53/92/76/1013539276.db2.gz SBEDCMSDKPRWJZ-UHFFFAOYSA-N 2 0 314.473 3.584 20 0 DHADRP C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000655683570 1013640577 /nfs/dbraw/zinc/64/05/77/1013640577.db2.gz HNQXDYRGNSUMNQ-KKSFZXQISA-N 2 0 324.468 3.744 20 0 DHADRP C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000655683568 1013640946 /nfs/dbraw/zinc/64/09/46/1013640946.db2.gz HNQXDYRGNSUMNQ-IERDGZPVSA-N 2 0 324.468 3.744 20 0 DHADRP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925095476 1013644003 /nfs/dbraw/zinc/64/40/03/1013644003.db2.gz UHLKSHYWPFIISV-MBOZVWFJSA-N 2 0 320.521 3.602 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000188169113 1013648860 /nfs/dbraw/zinc/64/88/60/1013648860.db2.gz YBHWQOMSPLWBTG-WOJBJXKFSA-N 2 0 300.490 3.959 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655721148 1013664210 /nfs/dbraw/zinc/66/42/10/1013664210.db2.gz LRUAYDATESWTAY-KDOFPFPSSA-N 2 0 321.428 3.563 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(OCC(C)C)cc2)CC1 ZINC000520215785 1013678765 /nfs/dbraw/zinc/67/87/65/1013678765.db2.gz NRNBILXZBUMRCG-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805609 1013727880 /nfs/dbraw/zinc/72/78/80/1013727880.db2.gz JLBJRCWDCIBHTK-KCQAQPDRSA-N 2 0 310.869 3.730 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805294 1013723830 /nfs/dbraw/zinc/72/38/30/1013723830.db2.gz LLWBFKHCOXAHGA-FCEWJHQRSA-N 2 0 316.489 3.954 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(OC(F)(F)F)c1 ZINC000655806549 1013725332 /nfs/dbraw/zinc/72/53/32/1013725332.db2.gz YKIGRAGAQUHPMF-SGMGOOAPSA-N 2 0 316.367 3.576 20 0 DHADRP CCC(C)(C)C1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000441366880 1013725853 /nfs/dbraw/zinc/72/58/53/1013725853.db2.gz OQCGEEATNXVUPH-UHFFFAOYSA-N 2 0 323.569 3.597 20 0 DHADRP CCc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000441400175 1013733302 /nfs/dbraw/zinc/73/33/02/1013733302.db2.gz WFOHEIGLZKJBII-FPOVZHCZSA-N 2 0 312.501 3.740 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000655825886 1013746333 /nfs/dbraw/zinc/74/63/33/1013746333.db2.gz OCPZLKCUEHZLED-MSEWRSJXSA-N 2 0 308.469 3.748 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655826539 1013746814 /nfs/dbraw/zinc/74/68/14/1013746814.db2.gz IAFXCPVWOGNRGE-IZAXUBKRSA-N 2 0 324.468 3.792 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000655837815 1013762191 /nfs/dbraw/zinc/76/21/91/1013762191.db2.gz WRLQSXUXOJWWSI-MBOZVWFJSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850066 1013777230 /nfs/dbraw/zinc/77/72/30/1013777230.db2.gz CVSDAZUWUMBHSP-SIRPWMCASA-N 2 0 304.503 3.847 20 0 DHADRP C[N@H+](CCc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995667 1013789376 /nfs/dbraw/zinc/78/93/76/1013789376.db2.gz NOBDHEODCBCMTJ-SJPCQFCGSA-N 2 0 304.503 3.628 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000151108036 1013814191 /nfs/dbraw/zinc/81/41/91/1013814191.db2.gz DJIFDQYQAVURNZ-KBPBESRZSA-N 2 0 310.869 3.731 20 0 DHADRP [NH3+]Cc1cnc2c(ccn2-c2cc[nH+]cc2-c2ccccc2)c1 ZINC001167314121 1013817620 /nfs/dbraw/zinc/81/76/20/1013817620.db2.gz QRSAGAOMZPRSCD-UHFFFAOYSA-N 2 0 300.365 3.546 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccncc2F)cc1 ZINC000340466354 1013830476 /nfs/dbraw/zinc/83/04/76/1013830476.db2.gz ZIVOQIDCIQANIM-HNNXBMFYSA-N 2 0 315.436 3.913 20 0 DHADRP Cc1occc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683690273 1013854735 /nfs/dbraw/zinc/85/47/35/1013854735.db2.gz GCDIHWJFDJOGGH-ACDBMABISA-N 2 0 310.441 3.873 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479162 1013863301 /nfs/dbraw/zinc/86/33/01/1013863301.db2.gz XIYYIRQNWXQCEX-HXUWFJFHSA-N 2 0 316.489 3.928 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169708 1013883533 /nfs/dbraw/zinc/88/35/33/1013883533.db2.gz UHAKKOHMKDIYPM-QWHCGFSZSA-N 2 0 311.267 3.571 20 0 DHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169709 1013884227 /nfs/dbraw/zinc/88/42/27/1013884227.db2.gz UHAKKOHMKDIYPM-CHWSQXEVSA-N 2 0 311.267 3.571 20 0 DHADRP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCC1 ZINC000683722200 1013904071 /nfs/dbraw/zinc/90/40/71/1013904071.db2.gz GPXGDDHRKCNBAS-UHFFFAOYSA-N 2 0 304.478 3.638 20 0 DHADRP F[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340525583 1013916679 /nfs/dbraw/zinc/91/66/79/1013916679.db2.gz WRZVNFWMQGANOV-BMSWRWNDSA-N 2 0 302.437 3.662 20 0 DHADRP COc1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000123346999 1013933683 /nfs/dbraw/zinc/93/36/83/1013933683.db2.gz CBUPNPUFLARXTQ-CQSZACIVSA-N 2 0 304.478 3.525 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)CC[C@@H]21 ZINC000255079390 1014001087 /nfs/dbraw/zinc/00/10/87/1014001087.db2.gz DSPKTRFXUSTXSN-QOIMWVHTSA-N 2 0 304.865 3.769 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCCc2ccccn2)CC1 ZINC001173103806 1033538995 /nfs/dbraw/zinc/53/89/95/1033538995.db2.gz SUOFNDMRAUNMPK-UHFFFAOYSA-N 2 0 303.494 3.647 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000656200618 1014105629 /nfs/dbraw/zinc/10/56/29/1014105629.db2.gz BGXAAWZWVCIGRP-VXGBXAGGSA-N 2 0 311.420 3.713 20 0 DHADRP CC[N@H+](CCC[NH+]1CCCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001167386240 1014104028 /nfs/dbraw/zinc/10/40/28/1014104028.db2.gz CDJRIBOSYDBEGK-SFHVURJKSA-N 2 0 318.505 3.824 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000656200420 1014105907 /nfs/dbraw/zinc/10/59/07/1014105907.db2.gz PGOWCLMOPHHPOS-CHWSQXEVSA-N 2 0 323.278 3.688 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782182922 1014109783 /nfs/dbraw/zinc/10/97/83/1014109783.db2.gz GUGIWQGQCKNNMH-CQSZACIVSA-N 2 0 309.523 3.910 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000398043748 1014116779 /nfs/dbraw/zinc/11/67/79/1014116779.db2.gz QNVGXPISMYGWGF-OXQOHEQNSA-N 2 0 312.432 3.826 20 0 DHADRP CC[NH+](CC)CCCNCc1ccc(-c2ccccc2F)o1 ZINC000013734497 1014132546 /nfs/dbraw/zinc/13/25/46/1014132546.db2.gz TZZWQYRLDJPOGA-UHFFFAOYSA-N 2 0 304.409 3.907 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1OC ZINC000348650502 1014138695 /nfs/dbraw/zinc/13/86/95/1014138695.db2.gz YMZNLWVLBCYAPD-QQFBHYJXSA-N 2 0 320.477 3.536 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000580461001 1014142113 /nfs/dbraw/zinc/14/21/13/1014142113.db2.gz GAJPVFFWVYETFU-SWLSCSKDSA-N 2 0 304.821 3.912 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C1 ZINC000128088993 1014161258 /nfs/dbraw/zinc/16/12/58/1014161258.db2.gz JHXGEUCPKNFXGX-OAHLLOKOSA-N 2 0 315.436 3.850 20 0 DHADRP CCc1onc(C)c1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001167424151 1014254182 /nfs/dbraw/zinc/25/41/82/1014254182.db2.gz CHIWBTFZMWTQFS-DOTOQJQBSA-N 2 0 319.493 3.632 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccn2C)CC1)CC(C)C ZINC000580679450 1014283988 /nfs/dbraw/zinc/28/39/88/1014283988.db2.gz XQYZPMCHAVHWJO-UHFFFAOYSA-N 2 0 305.510 3.605 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000580708640 1014298146 /nfs/dbraw/zinc/29/81/46/1014298146.db2.gz COWMLYMCGCKRSJ-RYGJVYDSSA-N 2 0 309.457 3.917 20 0 DHADRP C[N@H+](CCc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003788 1014351376 /nfs/dbraw/zinc/35/13/76/1014351376.db2.gz QSBXYGXPAUIQQS-DFNIBXOVSA-N 2 0 316.464 3.705 20 0 DHADRP C[C@@H]1CC(NCc2cccn2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168004858 1014377464 /nfs/dbraw/zinc/37/74/64/1014377464.db2.gz ASVIFKYLESCNSZ-IAGOWNOFSA-N 2 0 311.473 3.556 20 0 DHADRP COc1ccc([C@@H](C)[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000580898431 1014428389 /nfs/dbraw/zinc/42/83/89/1014428389.db2.gz YMNMBRXCWSVECW-OAHLLOKOSA-N 2 0 310.441 3.534 20 0 DHADRP CCN(CCC[NH+]1CCCC1)Cc1cnc(-c2ccco2)s1 ZINC000349359698 1014472433 /nfs/dbraw/zinc/47/24/33/1014472433.db2.gz ZPOSBCCTHDTSKM-UHFFFAOYSA-N 2 0 319.474 3.711 20 0 DHADRP C[NH+](C)CCc1ccc(-c2cc(C[NH+](C)C)ccc2F)cc1 ZINC000665196619 1014475457 /nfs/dbraw/zinc/47/54/57/1014475457.db2.gz XAEKZONVLFFPQU-UHFFFAOYSA-N 2 0 300.421 3.658 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237616 1014509031 /nfs/dbraw/zinc/50/90/31/1014509031.db2.gz FPJMGVJKKUPXDU-PBHICJAKSA-N 2 0 300.471 3.893 20 0 DHADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000427690478 1014516541 /nfs/dbraw/zinc/51/65/41/1014516541.db2.gz OMDLCMKSUOLSHX-PMACEKPBSA-N 2 0 302.506 3.964 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCc2ccc(F)cc2)[C@H](C)C1 ZINC000427852028 1014540208 /nfs/dbraw/zinc/54/02/08/1014540208.db2.gz SSBRFKXVFKNJSZ-APWZRJJASA-N 2 0 306.469 3.858 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000665247571 1014540310 /nfs/dbraw/zinc/54/03/10/1014540310.db2.gz FNVSHAHYUBLNBG-NVXWUHKLSA-N 2 0 320.452 3.722 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000581094220 1014554139 /nfs/dbraw/zinc/55/41/39/1014554139.db2.gz LQDIOTQPCSOHQO-NSHGMRRFSA-N 2 0 317.521 3.532 20 0 DHADRP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC2CC2)cc1 ZINC000656408590 1014578528 /nfs/dbraw/zinc/57/85/28/1014578528.db2.gz KKWGWBILQOGYKF-BURNTYAHSA-N 2 0 310.485 3.629 20 0 DHADRP CC(C)OC1CC([NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000656411112 1014581598 /nfs/dbraw/zinc/58/15/98/1014581598.db2.gz BWBIWDWKGCXWCY-UHFFFAOYSA-N 2 0 308.510 3.530 20 0 DHADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665261453 1014596758 /nfs/dbraw/zinc/59/67/58/1014596758.db2.gz CSHLVFXQBCSDFQ-SFHLNBCPSA-N 2 0 320.436 3.519 20 0 DHADRP CCCC[C@H](C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000581216093 1014616913 /nfs/dbraw/zinc/61/69/13/1014616913.db2.gz YGGCOEWXHPENEM-RBUKOAKNSA-N 2 0 323.569 3.741 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665274714 1014638141 /nfs/dbraw/zinc/63/81/41/1014638141.db2.gz WYYSHDBMTNQJSF-CIDNJEQPSA-N 2 0 300.437 3.855 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000558258918 1014641439 /nfs/dbraw/zinc/64/14/39/1014641439.db2.gz SVHJJNHIFHZGOZ-FCEWJHQRSA-N 2 0 304.478 3.507 20 0 DHADRP Clc1cccc([C@H]2CCC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)c1 ZINC000665279423 1014664578 /nfs/dbraw/zinc/66/45/78/1014664578.db2.gz BYGXLUNXLRBNJA-ONWXTNQRSA-N 2 0 304.865 3.708 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000665281188 1014665310 /nfs/dbraw/zinc/66/53/10/1014665310.db2.gz WRQCPBHDDGYXEB-NXHRZFHOSA-N 2 0 322.468 3.824 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280748 1014670516 /nfs/dbraw/zinc/67/05/16/1014670516.db2.gz KBOYJZGNVCVCCM-SWLSCSKDSA-N 2 0 318.490 3.538 20 0 DHADRP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665282923 1014678874 /nfs/dbraw/zinc/67/88/74/1014678874.db2.gz DXKPBTPRKSMAMP-YWZLYKJASA-N 2 0 309.457 3.885 20 0 DHADRP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665282922 1014679225 /nfs/dbraw/zinc/67/92/25/1014679225.db2.gz DXKPBTPRKSMAMP-QRWLVFNGSA-N 2 0 309.457 3.885 20 0 DHADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC001167454419 1014703939 /nfs/dbraw/zinc/70/39/39/1014703939.db2.gz WABPZEZMJWQVOO-FXAWDEMLSA-N 2 0 318.505 3.551 20 0 DHADRP CCN(C)CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781737 1014729397 /nfs/dbraw/zinc/72/93/97/1014729397.db2.gz PWGGKQSLXHCUAX-HOCLYGCPSA-N 2 0 314.395 3.883 20 0 DHADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c2cccnc12 ZINC000349388312 1014736268 /nfs/dbraw/zinc/73/62/68/1014736268.db2.gz YLDRWEJVYVFEKK-UHFFFAOYSA-N 2 0 315.436 3.682 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)CCC2 ZINC000521609741 1014747356 /nfs/dbraw/zinc/74/73/56/1014747356.db2.gz KUXOIQXDZHQSCZ-YWZLYKJASA-N 2 0 309.457 3.885 20 0 DHADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCc5ccccc54)C[C@@H]3C2)cc1 ZINC000684212727 1014751662 /nfs/dbraw/zinc/75/16/62/1014751662.db2.gz YTFWBMMUNQDWIP-RZUBCFFCSA-N 2 0 318.464 3.738 20 0 DHADRP CCCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000442880301 1014759948 /nfs/dbraw/zinc/75/99/48/1014759948.db2.gz YESXMOTVNDULOT-IBGZPJMESA-N 2 0 317.521 3.534 20 0 DHADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000442917874 1014768485 /nfs/dbraw/zinc/76/84/85/1014768485.db2.gz BNMGELWEXNBPQY-NSHDSACASA-N 2 0 317.260 3.563 20 0 DHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)s2)cc1 ZINC000442921675 1014775178 /nfs/dbraw/zinc/77/51/78/1014775178.db2.gz JDGKZGVQYCSEBR-HNNXBMFYSA-N 2 0 315.486 3.679 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665301128 1014777406 /nfs/dbraw/zinc/77/74/06/1014777406.db2.gz OYPUBOXNQSFLCK-BTYIYWSLSA-N 2 0 323.484 3.867 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000443002261 1014786604 /nfs/dbraw/zinc/78/66/04/1014786604.db2.gz OWLFCWXLWVIAKL-AWEZNQCLSA-N 2 0 314.395 3.835 20 0 DHADRP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060635 1014797815 /nfs/dbraw/zinc/79/78/15/1014797815.db2.gz PKEUJVYRVKRUFH-OLZOCXBDSA-N 2 0 322.403 3.553 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1cc2cc(OC)ccc2o1 ZINC000583532916 1014982627 /nfs/dbraw/zinc/98/26/27/1014982627.db2.gz XEALFEZMSOAFON-UHFFFAOYSA-N 2 0 304.434 3.605 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2C)[C@@H](C)C1 ZINC000631073967 1014990211 /nfs/dbraw/zinc/99/02/11/1014990211.db2.gz RUSZJBCURCGOPV-KBXCAEBGSA-N 2 0 324.534 3.592 20 0 DHADRP C[C@H]([NH3+])c1ccn(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023881 1015055791 /nfs/dbraw/zinc/05/57/91/1015055791.db2.gz YSAUFCJPJTZUCI-JYJNAYRXSA-N 2 0 312.461 3.517 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CC1(C)C ZINC000341252774 1015093467 /nfs/dbraw/zinc/09/34/67/1015093467.db2.gz FSLJETNSPAOWEB-BEFAXECRSA-N 2 0 316.489 3.684 20 0 DHADRP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000518978511 1015095994 /nfs/dbraw/zinc/09/59/94/1015095994.db2.gz WICZGDFEPVPDKI-KGLIPLIRSA-N 2 0 316.445 3.596 20 0 DHADRP CSc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784914 1015159241 /nfs/dbraw/zinc/15/92/41/1015159241.db2.gz IAJPEEFXXZVODS-QGZVFWFLSA-N 2 0 304.503 3.620 20 0 DHADRP C[C@H](C[NH2+]CC1([NH3+])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000656789553 1015163968 /nfs/dbraw/zinc/16/39/68/1015163968.db2.gz QBAOGJRDLIFDFH-GFCCVEGCSA-N 2 0 300.368 3.670 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478281 1015192631 /nfs/dbraw/zinc/19/26/31/1015192631.db2.gz DDVHRSJTDKODQM-CHWSQXEVSA-N 2 0 300.368 3.650 20 0 DHADRP COCCCC1(C[NH2+]CCC2CC[NH+](C(C)C)CC2)CCC1 ZINC000895766782 1015288609 /nfs/dbraw/zinc/28/86/09/1015288609.db2.gz YBDSSYXPWKCUGB-UHFFFAOYSA-N 2 0 310.526 3.683 20 0 DHADRP CCOCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000581848036 1015373401 /nfs/dbraw/zinc/37/34/01/1015373401.db2.gz JNLYXPLDPAPRGF-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000474463717 1015379709 /nfs/dbraw/zinc/37/97/09/1015379709.db2.gz FZNAKTPYZKQONN-HOTGVXAUSA-N 2 0 322.493 3.516 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474462958 1015380038 /nfs/dbraw/zinc/38/00/38/1015380038.db2.gz WUHQVHMARWHNRN-VQTJNVASSA-N 2 0 323.569 3.599 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474480575 1015391081 /nfs/dbraw/zinc/39/10/81/1015391081.db2.gz DUZVVOWNQLZQPP-CVEARBPZSA-N 2 0 324.896 3.534 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168037467 1015470306 /nfs/dbraw/zinc/47/03/06/1015470306.db2.gz YQZXSJKFYDWPIJ-FPPGBKCQSA-N 2 0 316.489 3.585 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)ccc1F ZINC000417929712 1015496782 /nfs/dbraw/zinc/49/67/82/1015496782.db2.gz OGNUDFDFHXFKTD-HKUYNNGSSA-N 2 0 312.432 3.781 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000891746207 1015584703 /nfs/dbraw/zinc/58/47/03/1015584703.db2.gz RVGPJPMJGDNXKX-UHFFFAOYSA-N 2 0 315.505 3.513 20 0 DHADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000474801754 1015607530 /nfs/dbraw/zinc/60/75/30/1015607530.db2.gz ZEIWGPLTKRURPF-FRYIKTPZSA-N 2 0 322.537 3.559 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000474818119 1015618650 /nfs/dbraw/zinc/61/86/50/1015618650.db2.gz PZBPPNVKHHYUQU-VQIMIIECSA-N 2 0 308.510 3.578 20 0 DHADRP Fc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1C(F)F ZINC000891842407 1015676559 /nfs/dbraw/zinc/67/65/59/1015676559.db2.gz LRXFBXYIOKTNKS-UHFFFAOYSA-N 2 0 309.335 3.797 20 0 DHADRP CCSC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC001173294642 1033652702 /nfs/dbraw/zinc/65/27/02/1033652702.db2.gz GTSCBWUATYZDTN-OAHLLOKOSA-N 2 0 324.509 3.769 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000684558007 1015737201 /nfs/dbraw/zinc/73/72/01/1015737201.db2.gz TVWIVCYTYAUBBZ-YJLNNSPDSA-N 2 0 304.453 3.782 20 0 DHADRP COCCCC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000684558025 1015737442 /nfs/dbraw/zinc/73/74/42/1015737442.db2.gz UZMRYTTYLIBIGL-FXAWDEMLSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+](C)C ZINC000280999317 1015821100 /nfs/dbraw/zinc/82/11/00/1015821100.db2.gz XQILIDGFJXXADN-CYBMUJFWSA-N 2 0 302.384 3.568 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000281128589 1015837341 /nfs/dbraw/zinc/83/73/41/1015837341.db2.gz DVHNAZGJAZUKHA-KDOFPFPSSA-N 2 0 320.452 3.532 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)Cc2cccc(F)c2)CC1 ZINC001168304960 1032139626 /nfs/dbraw/zinc/13/96/26/1032139626.db2.gz CWQPQVCTZNNUBQ-UHFFFAOYSA-N 2 0 306.469 3.857 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000657296079 1016219870 /nfs/dbraw/zinc/21/98/70/1016219870.db2.gz QTAFWDJKEDVIMO-UHFFFAOYSA-N 2 0 315.486 3.694 20 0 DHADRP CC(C)CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000361891486 1032144988 /nfs/dbraw/zinc/14/49/88/1032144988.db2.gz XNLDTKCXKJKYRP-LJQANCHMSA-N 2 0 318.505 3.600 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000469083732 1016276440 /nfs/dbraw/zinc/27/64/40/1016276440.db2.gz QUXUUMXIZJQHPE-MLGOLLRUSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@@H](Cc1cccnc1)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000934230495 1016284598 /nfs/dbraw/zinc/28/45/98/1016284598.db2.gz RDSYQRMOYABCGB-SFHVURJKSA-N 2 0 323.484 3.788 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000346505565 1016411003 /nfs/dbraw/zinc/41/10/03/1016411003.db2.gz SHUFVKRGIKGDAQ-UHFFFAOYSA-N 2 0 307.457 3.555 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000346650649 1016484841 /nfs/dbraw/zinc/48/48/41/1016484841.db2.gz PUWGSVUGHMYRSJ-GXTWGEPZSA-N 2 0 320.383 3.610 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000346694814 1016509504 /nfs/dbraw/zinc/50/95/04/1016509504.db2.gz WIFJWRLKTLCYOY-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(F)c(F)c3)cc2)CC1 ZINC000629694314 1016525307 /nfs/dbraw/zinc/52/53/07/1016525307.db2.gz JDCDUCJQTZFQGA-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP CO[C@@H](c1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)cc1)[C@@H](C)[NH3+] ZINC000629708315 1016585012 /nfs/dbraw/zinc/58/50/12/1016585012.db2.gz FAVSGHFDEOGARP-QVKFZJNVSA-N 2 0 324.468 3.983 20 0 DHADRP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([C@H]([NH3+])CO)c2)cc1 ZINC000629707418 1016585278 /nfs/dbraw/zinc/58/52/78/1016585278.db2.gz KVHAKERADAELHB-NHCUHLMSSA-N 2 0 324.468 3.720 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657412977 1016685374 /nfs/dbraw/zinc/68/53/74/1016685374.db2.gz FLHSBPHKZMQZCL-HNNXBMFYSA-N 2 0 317.502 3.754 20 0 DHADRP Cn1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c2ccccc21 ZINC000629742554 1016688223 /nfs/dbraw/zinc/68/82/23/1016688223.db2.gz CIAHKMALCOJFTF-UHFFFAOYSA-N 2 0 319.452 3.768 20 0 DHADRP CCSCC[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000336711902 1016702968 /nfs/dbraw/zinc/70/29/68/1016702968.db2.gz LOLPLOIYWACIQE-GOSISDBHSA-N 2 0 306.519 3.631 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000336719428 1016704846 /nfs/dbraw/zinc/70/48/46/1016704846.db2.gz SEDKAXMIVPUVHC-QGZVFWFLSA-N 2 0 312.457 3.525 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000347056558 1016709022 /nfs/dbraw/zinc/70/90/22/1016709022.db2.gz VLKVOCDNYOFWDF-ZBFHGGJFSA-N 2 0 300.471 3.974 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000347063746 1016721490 /nfs/dbraw/zinc/72/14/90/1016721490.db2.gz CRFFMOLPMMFENG-IEBWSBKVSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000342597890 1016829446 /nfs/dbraw/zinc/82/94/46/1016829446.db2.gz QEBFGFXHXYZMOV-QFBILLFUSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000475072012 1016928571 /nfs/dbraw/zinc/92/85/71/1016928571.db2.gz XNFCPKQNQWGJNV-MISYRCLQSA-N 2 0 322.537 3.514 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000475072606 1016934377 /nfs/dbraw/zinc/93/43/77/1016934377.db2.gz YGGMWJRMXXPCBE-QWFCFKBJSA-N 2 0 322.537 3.514 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000623346086 1016975586 /nfs/dbraw/zinc/97/55/86/1016975586.db2.gz DQPYECWEWYIVAQ-OCCSQVGLSA-N 2 0 312.404 3.811 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)ccc12 ZINC000840780138 1016979351 /nfs/dbraw/zinc/97/93/51/1016979351.db2.gz QHTLADGPRNLXHR-HXUWFJFHSA-N 2 0 321.424 3.592 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc3ccccc3s2)CC1 ZINC000475127159 1016987345 /nfs/dbraw/zinc/98/73/45/1016987345.db2.gz HWGGUWJHZHHHOJ-UHFFFAOYSA-N 2 0 300.471 3.962 20 0 DHADRP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1Cl ZINC000623404051 1017020235 /nfs/dbraw/zinc/02/02/35/1017020235.db2.gz PDQIFMDMVGTXBW-OAHLLOKOSA-N 2 0 310.869 3.559 20 0 DHADRP C[N@@H+]1CC[C@@H](NCc2ccccc2OC2CCC2)CC1(C)C ZINC000623424248 1017037049 /nfs/dbraw/zinc/03/70/49/1017037049.db2.gz JGQTVDQQDBCPAI-MRXNPFEDSA-N 2 0 302.462 3.580 20 0 DHADRP C[N@@H+]1CC[C@H](NCc2ccccc2OC2CCC2)CC1(C)C ZINC000623424247 1017037848 /nfs/dbraw/zinc/03/78/48/1017037848.db2.gz JGQTVDQQDBCPAI-INIZCTEOSA-N 2 0 302.462 3.580 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432409 1017044569 /nfs/dbraw/zinc/04/45/69/1017044569.db2.gz QNCOXXVVCFCIFF-UKRRQHHQSA-N 2 0 310.869 3.570 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)c(OC)c2)CC1 ZINC000623431620 1017045450 /nfs/dbraw/zinc/04/54/50/1017045450.db2.gz JNKIMGAIVOTVPN-UHFFFAOYSA-N 2 0 310.869 3.560 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CC2(Cc3ccccc3F)CC2)CC1 ZINC001168306313 1032155178 /nfs/dbraw/zinc/15/51/78/1032155178.db2.gz WHGJHROWXQZABO-UHFFFAOYSA-N 2 0 304.453 3.611 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000361965501 1032176127 /nfs/dbraw/zinc/17/61/27/1032176127.db2.gz DHSFJFBZMPAIRM-TXPKVOOTSA-N 2 0 302.462 3.535 20 0 DHADRP CCCC1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657536711 1017231305 /nfs/dbraw/zinc/23/13/05/1017231305.db2.gz OIYRHWRJBBDBJW-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)CC1CC[NH2+]CC1 ZINC001246680522 1032202243 /nfs/dbraw/zinc/20/22/43/1032202243.db2.gz KFANPQVCRYVEEX-LBPRGKRZSA-N 2 0 315.288 3.856 20 0 DHADRP C[NH2+]C1CC[NH+]([C@@H](C)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001246807385 1032206236 /nfs/dbraw/zinc/20/62/36/1032206236.db2.gz QTAYMLMKILNHHF-LBPRGKRZSA-N 2 0 315.288 3.998 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC3(C=Cc4ccccc43)CC2)CC1 ZINC001168315319 1032225550 /nfs/dbraw/zinc/22/55/50/1032225550.db2.gz UNJHRXYERHKSDG-UHFFFAOYSA-N 2 0 310.485 3.920 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000118956192 1032256580 /nfs/dbraw/zinc/25/65/80/1032256580.db2.gz DJOZEVIJLPFHOR-WMLDXEAASA-N 2 0 308.897 3.981 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000118958292 1032257184 /nfs/dbraw/zinc/25/71/84/1032257184.db2.gz WJCUWGFYMLZQCA-YOEHRIQHSA-N 2 0 308.897 3.839 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001168326600 1032289671 /nfs/dbraw/zinc/28/96/71/1032289671.db2.gz CHBVQSRBCSEEEY-KKXNLOMOSA-N 2 0 318.480 3.953 20 0 DHADRP CC(C)CC1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000090234508 1032392570 /nfs/dbraw/zinc/39/25/70/1032392570.db2.gz DXAUAKOCRNYENE-MJGOQNOKSA-N 2 0 315.505 3.708 20 0 DHADRP Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(F)c1F ZINC000630054001 1017270657 /nfs/dbraw/zinc/27/06/57/1017270657.db2.gz BJVXCDKLGJUIHG-UHFFFAOYSA-N 2 0 316.395 3.863 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000121193856 1032426878 /nfs/dbraw/zinc/42/68/78/1032426878.db2.gz AVKIKZRRCRMZMG-HXUWFJFHSA-N 2 0 312.432 3.847 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000121212751 1032429587 /nfs/dbraw/zinc/42/95/87/1032429587.db2.gz GTILOLXTCHHOQS-IAGOWNOFSA-N 2 0 304.478 3.714 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000075007964 1017288223 /nfs/dbraw/zinc/28/82/23/1017288223.db2.gz HQFCYOOMEXGEPZ-SFHVURJKSA-N 2 0 318.505 3.613 20 0 DHADRP c1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066343 1032471702 /nfs/dbraw/zinc/47/17/02/1032471702.db2.gz JNFLFHYSTDLSGK-BEFAXECRSA-N 2 0 310.441 3.882 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1F ZINC000092740896 1032508801 /nfs/dbraw/zinc/50/88/01/1032508801.db2.gz DUILJRAIIXDHCK-ZDUSSCGKSA-N 2 0 310.376 3.566 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000773072446 1032546718 /nfs/dbraw/zinc/54/67/18/1032546718.db2.gz ABQMVHLRLSJDAJ-HZPDHXFCSA-N 2 0 300.556 3.864 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000093638684 1032548317 /nfs/dbraw/zinc/54/83/17/1032548317.db2.gz PPNACUZIWYHIET-CXAGYDPISA-N 2 0 304.409 3.734 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000122753075 1032570716 /nfs/dbraw/zinc/57/07/16/1032570716.db2.gz SZHOLCIEGCXJJV-DLBZAZTESA-N 2 0 318.505 3.899 20 0 DHADRP CC(C)c1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000122822434 1032572843 /nfs/dbraw/zinc/57/28/43/1032572843.db2.gz CNDCGTIJJOFYNQ-IHWFROFDSA-N 2 0 300.490 3.957 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000579687256 1011922839 /nfs/dbraw/zinc/92/28/39/1011922839.db2.gz LZOWYAVRXOHLRK-KWOWKCNFSA-N 2 0 319.518 3.796 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000579712822 1011957795 /nfs/dbraw/zinc/95/77/95/1011957795.db2.gz CUZYNWVWJBOODO-GFCCVEGCSA-N 2 0 306.356 3.598 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1csc3ccccc13)CC[NH2+]CC2 ZINC000424282758 1011972025 /nfs/dbraw/zinc/97/20/25/1011972025.db2.gz AGBONAPAJNRLBK-AWEZNQCLSA-N 2 0 300.471 3.865 20 0 DHADRP CCSc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424372447 1012012993 /nfs/dbraw/zinc/01/29/93/1012012993.db2.gz FRKSHCLSKSPWOF-HNNXBMFYSA-N 2 0 304.503 3.763 20 0 DHADRP CCOc1c(Cl)cccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424381586 1012018749 /nfs/dbraw/zinc/01/87/49/1012018749.db2.gz RCPROUIIFSRLAC-AWEZNQCLSA-N 2 0 322.880 3.703 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccccn3)c1)CC[NH2+]CC2 ZINC000424384817 1012018980 /nfs/dbraw/zinc/01/89/80/1012018980.db2.gz VRQUNBBAOGPLOZ-KRWDZBQOSA-N 2 0 321.468 3.713 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Br)c1 ZINC000643546724 1012095835 /nfs/dbraw/zinc/09/58/35/1012095835.db2.gz TWEPDKMFOACDCZ-WFASDCNBSA-N 2 0 323.278 3.774 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)s2)cc1 ZINC000666952176 1032599716 /nfs/dbraw/zinc/59/97/16/1032599716.db2.gz JDJWTZUFCZJILH-SFHVURJKSA-N 2 0 312.482 3.955 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953843 1032602623 /nfs/dbraw/zinc/60/26/23/1032602623.db2.gz JDFKIIVOIXDVTC-HXUWFJFHSA-N 2 0 322.452 3.594 20 0 DHADRP c1csc(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000749436737 1012251276 /nfs/dbraw/zinc/25/12/76/1012251276.db2.gz PUDLHXYDEWFMCO-UHFFFAOYSA-N 2 0 306.519 3.879 20 0 DHADRP Cc1c(CN2C[C@@H](C[NH3+])CC[C@H]2C)cccc1C(F)(F)F ZINC001206770966 1012351500 /nfs/dbraw/zinc/35/15/00/1012351500.db2.gz VHRHDSKVGRXARG-DGCLKSJQSA-N 2 0 300.368 3.573 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000683205908 1012396423 /nfs/dbraw/zinc/39/64/23/1012396423.db2.gz QKHUQSTWGGYMIP-LJQANCHMSA-N 2 0 314.473 3.584 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCO1 ZINC000648483925 1012412711 /nfs/dbraw/zinc/41/27/11/1012412711.db2.gz OGXSYLQDTFAEAT-VLOYRQLPSA-N 2 0 308.510 3.577 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000097476085 1012483790 /nfs/dbraw/zinc/48/37/90/1012483790.db2.gz RHCNCHAEOODLJS-UHFFFAOYSA-N 2 0 310.432 3.909 20 0 DHADRP C[N@@H+]1CCC[C@@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000515366299 1012607244 /nfs/dbraw/zinc/60/72/44/1012607244.db2.gz BORJNWAWOVBFLF-KRWDZBQOSA-N 2 0 323.569 3.597 20 0 DHADRP C[N@H+]1CC=C(Nc2ccnc3cc(Br)ccc32)CC1 ZINC001208792912 1012653883 /nfs/dbraw/zinc/65/38/83/1012653883.db2.gz AISQGYCKZTULQV-UHFFFAOYSA-N 2 0 318.218 3.629 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC001202750111 1032642791 /nfs/dbraw/zinc/64/27/91/1032642791.db2.gz NXHSLGZUXFXTIJ-HNNXBMFYSA-N 2 0 316.420 3.907 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000179405230 1012671593 /nfs/dbraw/zinc/67/15/93/1012671593.db2.gz IERJANBZRFHKSC-LJQANCHMSA-N 2 0 315.436 3.818 20 0 DHADRP C[C@@H]1C[C@H](NCc2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000436250449 1012706179 /nfs/dbraw/zinc/70/61/79/1012706179.db2.gz GLQHCRLEHIHJEY-QMTHXVAHSA-N 2 0 320.786 3.931 20 0 DHADRP COCCC1(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)CCCCC1 ZINC000436286423 1012707560 /nfs/dbraw/zinc/70/75/60/1012707560.db2.gz HIWQTRUNNWXPRQ-SFHVURJKSA-N 2 0 310.526 3.685 20 0 DHADRP CCN(CC)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)CC(C)C ZINC000515729817 1012712211 /nfs/dbraw/zinc/71/22/11/1012712211.db2.gz OVEFOZWIXIAMAV-JLAWEPINSA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000516917879 1012864103 /nfs/dbraw/zinc/86/41/03/1012864103.db2.gz SAVCTYQZEMOQIX-MOPGFXCFSA-N 2 0 316.489 3.554 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000517228200 1012935704 /nfs/dbraw/zinc/93/57/04/1012935704.db2.gz KCZVGMFXJUVXSP-HUUCEWRRSA-N 2 0 310.432 3.606 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000517228199 1012936608 /nfs/dbraw/zinc/93/66/08/1012936608.db2.gz KCZVGMFXJUVXSP-GJZGRUSLSA-N 2 0 310.432 3.606 20 0 DHADRP Cc1nc2ccc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc2s1 ZINC000517263389 1012952473 /nfs/dbraw/zinc/95/24/73/1012952473.db2.gz JMLDKAVFGHBWKO-NVXWUHKLSA-N 2 0 315.486 3.521 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000425942869 1012988953 /nfs/dbraw/zinc/98/89/53/1012988953.db2.gz GZBVYMDELXYBEZ-KLHKWILBSA-N 2 0 304.478 3.509 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCSCc2ccccc2)[C@@H](C)C1 ZINC000535629235 1013017672 /nfs/dbraw/zinc/01/76/72/1013017672.db2.gz UWEOLMYPEKQNFQ-HKUYNNGSSA-N 2 0 320.546 3.972 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1(C)C ZINC000623571302 1017115845 /nfs/dbraw/zinc/11/58/45/1017115845.db2.gz SAKKCKHBHRFEIQ-ARFHVFGLSA-N 2 0 308.510 3.575 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000475335552 1017149239 /nfs/dbraw/zinc/14/92/39/1017149239.db2.gz RLSSHLUQQNQUDC-QXCFHYIPSA-N 2 0 302.437 3.678 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656749 1017155912 /nfs/dbraw/zinc/15/59/12/1017155912.db2.gz AWGTVCXBAVMMEF-WQJNHMDYSA-N 2 0 316.489 3.558 20 0 DHADRP CSc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)s1 ZINC001142031692 1017361112 /nfs/dbraw/zinc/36/11/12/1017361112.db2.gz NLCWIPUJKPFZNT-ZDUSSCGKSA-N 2 0 320.483 3.827 20 0 DHADRP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657560678 1017386054 /nfs/dbraw/zinc/38/60/54/1017386054.db2.gz CACWHYILHUAGFM-KRWDZBQOSA-N 2 0 308.510 3.578 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754645 1017402724 /nfs/dbraw/zinc/40/27/24/1017402724.db2.gz DGCZYNVZUMBYHV-UHFFFAOYSA-N 2 0 316.489 3.736 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812185 1017417427 /nfs/dbraw/zinc/41/74/27/1017417427.db2.gz YZZCWXQCIBHCFE-UZLBHIALSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@H](CCC1CC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812626 1017421821 /nfs/dbraw/zinc/42/18/21/1017421821.db2.gz BPZHNMABJYIGJK-MRXNPFEDSA-N 2 0 316.489 3.828 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000475575973 1017453612 /nfs/dbraw/zinc/45/36/12/1017453612.db2.gz UIPLNOINWOFKHY-HESLUPGFSA-N 2 0 304.400 3.714 20 0 DHADRP CSCC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685105 1032702624 /nfs/dbraw/zinc/70/26/24/1032702624.db2.gz WZLNOWKQKAQGSP-LULLPPNCSA-N 2 0 318.530 3.771 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1 ZINC000173374993 1032703585 /nfs/dbraw/zinc/70/35/85/1032703585.db2.gz LYUFTZWFSOMURS-GOSISDBHSA-N 2 0 324.896 3.882 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC(F)(F)F)CC1(C)C ZINC000623821889 1017523693 /nfs/dbraw/zinc/52/36/93/1017523693.db2.gz KQODNFCXODVNQG-OAHLLOKOSA-N 2 0 314.395 3.754 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000623877336 1017548336 /nfs/dbraw/zinc/54/83/36/1017548336.db2.gz ZAOPVIRRDQTWSJ-APWZRJJASA-N 2 0 304.478 3.574 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCCO1 ZINC000623880904 1017554025 /nfs/dbraw/zinc/55/40/25/1017554025.db2.gz XUIUUFUERAVTID-CRAIPNDOSA-N 2 0 322.518 3.507 20 0 DHADRP C[NH+](C)CC(C)(C)CNCc1ccc(SC(F)(F)F)cc1 ZINC000020566098 1032707575 /nfs/dbraw/zinc/70/75/75/1032707575.db2.gz JZZSVSOGHQAYMI-UHFFFAOYSA-N 2 0 320.424 3.976 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(C)ccc1C ZINC000623891360 1017572125 /nfs/dbraw/zinc/57/21/25/1017572125.db2.gz KNNOGKZVCQKLAB-AZUAARDMSA-N 2 0 318.505 3.581 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2ncsc2c1 ZINC000444641871 1017612586 /nfs/dbraw/zinc/61/25/86/1017612586.db2.gz SFHUGWAAHUYKKW-CQSZACIVSA-N 2 0 303.475 3.823 20 0 DHADRP CC(C)(F)CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000657645788 1017646861 /nfs/dbraw/zinc/64/68/61/1017646861.db2.gz ILCRTYYIAADYPJ-KRWDZBQOSA-N 2 0 304.453 3.911 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171455054 1032715562 /nfs/dbraw/zinc/71/55/62/1032715562.db2.gz ZEXPWOSYNGJOAU-RHSMWYFYSA-N 2 0 324.459 3.922 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCCO2 ZINC000624120844 1017692172 /nfs/dbraw/zinc/69/21/72/1017692172.db2.gz ICZFTIWCZRCRHN-SJLPKXTDSA-N 2 0 302.462 3.530 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000624122673 1017694461 /nfs/dbraw/zinc/69/44/61/1017694461.db2.gz YGBROSRVOLXFMR-MNEFBYGVSA-N 2 0 304.453 3.783 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1OCC ZINC000181398873 1017747873 /nfs/dbraw/zinc/74/78/73/1017747873.db2.gz YORZABKUFQCKAQ-RDJZCZTQSA-N 2 0 320.477 3.619 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C12CCC2 ZINC000181626527 1017777763 /nfs/dbraw/zinc/77/77/63/1017777763.db2.gz XRUYRWJBPGIVPL-MOPGFXCFSA-N 2 0 320.521 3.578 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1 ZINC000666977319 1032722412 /nfs/dbraw/zinc/72/24/12/1032722412.db2.gz NEBFOXFWVRDPGA-HNNXBMFYSA-N 2 0 315.486 3.592 20 0 DHADRP Cc1ccccc1CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001307590239 1017794322 /nfs/dbraw/zinc/79/43/22/1017794322.db2.gz TYWALOQIVRJZSV-UHFFFAOYSA-N 2 0 302.506 3.981 20 0 DHADRP CC(C)Oc1cccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523863064 1017811796 /nfs/dbraw/zinc/81/17/96/1017811796.db2.gz IGCVXYCKORATGB-GOSISDBHSA-N 2 0 306.494 3.930 20 0 DHADRP CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090778528 1017816129 /nfs/dbraw/zinc/81/61/29/1017816129.db2.gz XDPRVPUMGOGMBX-RDJZCZTQSA-N 2 0 306.519 3.877 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000565597447 1032727542 /nfs/dbraw/zinc/72/75/42/1032727542.db2.gz KWZQNOZNDFVCAV-NWDGAFQWSA-N 2 0 308.372 3.657 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000317759350 1017831299 /nfs/dbraw/zinc/83/12/99/1017831299.db2.gz VXZAXFHVUBRTPV-QGZVFWFLSA-N 2 0 302.506 3.965 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC001167646998 1017940790 /nfs/dbraw/zinc/94/07/90/1017940790.db2.gz JLBSEVNVAKHHTP-UXHICEINSA-N 2 0 300.490 3.801 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000624261486 1017973947 /nfs/dbraw/zinc/97/39/47/1017973947.db2.gz UETIRUMPNXZPNM-FRRDWIJNSA-N 2 0 318.408 3.729 20 0 DHADRP C[C@@H]1C[C@H](Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000182973454 1017978171 /nfs/dbraw/zinc/97/81/71/1017978171.db2.gz QOKQNLWIBMJERH-MBOZVWFJSA-N 2 0 315.505 3.956 20 0 DHADRP CCOc1ccc(CNCCC[N@H+](C)C2CCCCC2)cc1 ZINC000315013908 1032737231 /nfs/dbraw/zinc/73/72/31/1032737231.db2.gz GBDLIPRVHJKRBA-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC(F)(F)C1 ZINC000628202980 1018030050 /nfs/dbraw/zinc/03/00/50/1018030050.db2.gz OYELMRTWSVKDEW-RBSFLKMASA-N 2 0 302.453 3.768 20 0 DHADRP c1sc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150759155 1018058411 /nfs/dbraw/zinc/05/84/11/1018058411.db2.gz OCQUSUWOFUUJOY-OAHLLOKOSA-N 2 0 300.471 3.819 20 0 DHADRP Cc1ccc2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)ccc2n1 ZINC000278104244 1018114941 /nfs/dbraw/zinc/11/49/41/1018114941.db2.gz ALFYCQOONMKHCO-UHFFFAOYSA-N 2 0 309.457 3.507 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185747616 1018128992 /nfs/dbraw/zinc/12/89/92/1018128992.db2.gz ZFAZSRXZKBXQLT-MJGOQNOKSA-N 2 0 300.490 3.862 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1F ZINC000315099914 1032746230 /nfs/dbraw/zinc/74/62/30/1032746230.db2.gz NVXCYVZIDIVENF-GJZGRUSLSA-N 2 0 308.441 3.607 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000658357312 1018181961 /nfs/dbraw/zinc/18/19/61/1018181961.db2.gz SSJUUWQEFBGMQX-LBPRGKRZSA-N 2 0 307.507 3.533 20 0 DHADRP CC[C@]1(C)CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658162445 1018184785 /nfs/dbraw/zinc/18/47/85/1018184785.db2.gz DFFSLCVVCJFILW-WOJBJXKFSA-N 2 0 315.505 3.852 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000525181013 1018194497 /nfs/dbraw/zinc/19/44/97/1018194497.db2.gz NWXTZUAHOJSHSE-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000446759530 1018246544 /nfs/dbraw/zinc/24/65/44/1018246544.db2.gz GKEXWDOCBKEWHR-UYAOXDASSA-N 2 0 318.505 3.549 20 0 DHADRP COCc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000125459298 1018286124 /nfs/dbraw/zinc/28/61/24/1018286124.db2.gz HWFUSMVKTZDYEU-UHFFFAOYSA-N 2 0 316.445 3.556 20 0 DHADRP c1cc(-c2ccccc2)oc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887015 1018289271 /nfs/dbraw/zinc/28/92/71/1018289271.db2.gz MVSBLGXTIHOMQT-UHFFFAOYSA-N 2 0 310.441 3.911 20 0 DHADRP CSC1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000381946720 1018289656 /nfs/dbraw/zinc/28/96/56/1018289656.db2.gz ZGQUTCSKHBXAMB-SJLPKXTDSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000764763818 1018368192 /nfs/dbraw/zinc/36/81/92/1018368192.db2.gz SNPPRIMTQVELJO-INIZCTEOSA-N 2 0 320.546 3.945 20 0 DHADRP CCCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000319631477 1018391817 /nfs/dbraw/zinc/39/18/17/1018391817.db2.gz AZIKVABCOBLGGA-IBGZPJMESA-N 2 0 317.521 3.534 20 0 DHADRP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(C)n1 ZINC000080230777 1018406115 /nfs/dbraw/zinc/40/61/15/1018406115.db2.gz CQFCGOJCFOAVOH-QAPCUYQASA-N 2 0 310.445 3.558 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc(C)c1F ZINC000447556466 1018422162 /nfs/dbraw/zinc/42/21/62/1018422162.db2.gz IEMXFMSHDLQDID-OAHLLOKOSA-N 2 0 304.453 3.968 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447567631 1018427572 /nfs/dbraw/zinc/42/75/72/1018427572.db2.gz CTQXMJBQPGLCIQ-BFUOFWGJSA-N 2 0 302.437 3.523 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647290418 1018428986 /nfs/dbraw/zinc/42/89/86/1018428986.db2.gz FURGZQMCGCFQHR-LJQANCHMSA-N 2 0 303.494 3.880 20 0 DHADRP CC(C)C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000447596518 1018433576 /nfs/dbraw/zinc/43/35/76/1018433576.db2.gz CODCDJABSGCYCR-KRWDZBQOSA-N 2 0 312.885 3.595 20 0 DHADRP CC[N@H+](C)C[C@H]1CCN(CCCc2c(F)cccc2Cl)C1 ZINC000447731057 1018460941 /nfs/dbraw/zinc/46/09/41/1018460941.db2.gz LTFSUDRVSLQHGD-CQSZACIVSA-N 2 0 312.860 3.685 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000447797074 1018470892 /nfs/dbraw/zinc/47/08/92/1018470892.db2.gz GCWPNXFVBXGMJS-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP COc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)ccc1C ZINC000447815180 1018481528 /nfs/dbraw/zinc/48/15/28/1018481528.db2.gz DPBYWPUBSRGQBA-UHFFFAOYSA-N 2 0 304.478 3.605 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000650705238 1018515869 /nfs/dbraw/zinc/51/58/69/1018515869.db2.gz AEQFIOKXOADDFI-PWRODBHTSA-N 2 0 324.468 3.558 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000566572650 1018528519 /nfs/dbraw/zinc/52/85/19/1018528519.db2.gz VBOOKEBYXSSWQZ-CABCVRRESA-N 2 0 308.416 3.636 20 0 DHADRP C[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)[C@@H]1CC[NH3+] ZINC000650710881 1018531068 /nfs/dbraw/zinc/53/10/68/1018531068.db2.gz BTLCAXKAYXLMIE-GDBMZVCRSA-N 2 0 315.486 3.759 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000261842327 1018549908 /nfs/dbraw/zinc/54/99/08/1018549908.db2.gz YWLWFOIEYSXGJU-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000527365624 1018556478 /nfs/dbraw/zinc/55/64/78/1018556478.db2.gz KMCLFVACTYCQDS-HOTGVXAUSA-N 2 0 306.881 3.861 20 0 DHADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000583564433 1018562803 /nfs/dbraw/zinc/56/28/03/1018562803.db2.gz QDBDMGWFIGIGMN-PXTPFGJHSA-N 2 0 316.464 3.767 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1ccccc1SC ZINC000650719143 1018565176 /nfs/dbraw/zinc/56/51/76/1018565176.db2.gz FSGUQXAIVQCPHY-HNNXBMFYSA-N 2 0 314.498 3.849 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)C2 ZINC001171550160 1032772259 /nfs/dbraw/zinc/77/22/59/1032772259.db2.gz JLFCKXBCAWXUMV-HXUWFJFHSA-N 2 0 308.469 3.704 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH+]1C(C)(C)CC([NH3+])CC1(C)C)C2 ZINC001171553685 1032773787 /nfs/dbraw/zinc/77/37/87/1032773787.db2.gz UPAXWOZOWYXHET-KRWDZBQOSA-N 2 0 300.490 3.833 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH+]1C(C)(C)CC([NH3+])CC1(C)C)C2 ZINC001171553686 1032774654 /nfs/dbraw/zinc/77/46/54/1032774654.db2.gz UPAXWOZOWYXHET-QGZVFWFLSA-N 2 0 300.490 3.833 20 0 DHADRP Cc1cccnc1CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926522405 1018642870 /nfs/dbraw/zinc/64/28/70/1018642870.db2.gz RUIICTHXRKIMDQ-KRWDZBQOSA-N 2 0 311.473 3.735 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc2c1 ZINC000315399598 1032776763 /nfs/dbraw/zinc/77/67/63/1032776763.db2.gz UYBFYPLACAZCFI-GJZGRUSLSA-N 2 0 300.446 3.839 20 0 DHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1csc(-c2ccccc2F)n1 ZINC000650748261 1018653272 /nfs/dbraw/zinc/65/32/72/1018653272.db2.gz QSRNUJJZCGOVSG-GFCCVEGCSA-N 2 0 319.449 3.729 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000650752653 1018666827 /nfs/dbraw/zinc/66/68/27/1018666827.db2.gz WULYEFBQABAVAM-INIZCTEOSA-N 2 0 320.408 3.750 20 0 DHADRP C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138333 1032778537 /nfs/dbraw/zinc/77/85/37/1032778537.db2.gz XCDLOJLSTFYUNA-QWHCGFSZSA-N 2 0 303.475 3.820 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000650756997 1018686188 /nfs/dbraw/zinc/68/61/88/1018686188.db2.gz LXKUMVLGHKGTFO-UTKZUKDTSA-N 2 0 324.468 3.664 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763803 1018709388 /nfs/dbraw/zinc/70/93/88/1018709388.db2.gz JYBSAYNGDSNVNK-INIZCTEOSA-N 2 0 304.478 3.762 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000650763870 1018709438 /nfs/dbraw/zinc/70/94/38/1018709438.db2.gz KYXKYNCVWJHAEB-SNVBAGLBSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000650762819 1018709667 /nfs/dbraw/zinc/70/96/67/1018709667.db2.gz LBBRGXIJVAGEDF-FPMFFAJLSA-N 2 0 312.910 3.873 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763918 1018712838 /nfs/dbraw/zinc/71/28/38/1018712838.db2.gz MFCRZGKWFGEVAV-HNNXBMFYSA-N 2 0 310.894 3.856 20 0 DHADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC001118057599 1018715246 /nfs/dbraw/zinc/71/52/46/1018715246.db2.gz FDBVSXNRWILZKI-QWHCGFSZSA-N 2 0 303.475 3.767 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C)C2 ZINC001171564146 1032783393 /nfs/dbraw/zinc/78/33/93/1032783393.db2.gz UIYLLZZLPOBBAF-KPFFTGBYSA-N 2 0 300.490 3.561 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000642626927 1018734521 /nfs/dbraw/zinc/73/45/21/1018734521.db2.gz KKNAFOMLIRSDCR-GOSISDBHSA-N 2 0 316.489 3.853 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CC3CCCCC3)cc2)CC1 ZINC000583922353 1018756253 /nfs/dbraw/zinc/75/62/53/1018756253.db2.gz NBCDWDYHKDVPSL-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC[C@H]2CC2(Cl)Cl)CCC1 ZINC000903811193 1018762393 /nfs/dbraw/zinc/76/23/93/1018762393.db2.gz JNQIKUZVRYQACW-QWHCGFSZSA-N 2 0 305.293 3.554 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000278527690 1018781240 /nfs/dbraw/zinc/78/12/40/1018781240.db2.gz TVFCISUWNHGSPP-HXUWFJFHSA-N 2 0 314.473 3.537 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1F ZINC000657816684 1018820764 /nfs/dbraw/zinc/82/07/64/1018820764.db2.gz ZBENOLJEGDDQJM-OWOJBTEDSA-N 2 0 320.427 3.690 20 0 DHADRP C[C@@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000624267462 1018825546 /nfs/dbraw/zinc/82/55/46/1018825546.db2.gz NUSYCLFCPIPWFI-MRXNPFEDSA-N 2 0 309.457 3.569 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)CC(F)F ZINC000647318487 1018834905 /nfs/dbraw/zinc/83/49/05/1018834905.db2.gz QFKNKLWXANDIFG-OFQRWUPVSA-N 2 0 302.453 3.910 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCCc3ccncc32)CC1(C)C ZINC001171629444 1032793279 /nfs/dbraw/zinc/79/32/79/1032793279.db2.gz RGPUSQVHVUYGQS-QGZVFWFLSA-N 2 0 301.478 3.700 20 0 DHADRP C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C(F)F)nc1 ZINC000657823712 1018906349 /nfs/dbraw/zinc/90/63/49/1018906349.db2.gz AHYPRSIUGBTGGJ-NSHDSACASA-N 2 0 311.420 3.979 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921819899 1018906662 /nfs/dbraw/zinc/90/66/62/1018906662.db2.gz IYBSICUWJSGGJV-VAMGGRTRSA-N 2 0 322.537 3.539 20 0 DHADRP FCC1(CF)CC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000657826694 1018927553 /nfs/dbraw/zinc/92/75/53/1018927553.db2.gz JNKZTTFGSPQEOU-UHFFFAOYSA-N 2 0 322.443 3.850 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000656199101 1018946270 /nfs/dbraw/zinc/94/62/70/1018946270.db2.gz MGBKXTSVCQNQMB-DMRZNYOFSA-N 2 0 323.278 3.555 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000782478598 1018982390 /nfs/dbraw/zinc/98/23/90/1018982390.db2.gz QHKPEVKXGOEFAF-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168689695 1019008508 /nfs/dbraw/zinc/00/85/08/1019008508.db2.gz IRAOVAYSTKBKEK-GDBMZVCRSA-N 2 0 308.897 3.907 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc(C)c1O ZINC000263876804 1032802829 /nfs/dbraw/zinc/80/28/29/1032802829.db2.gz ZIVDMFMWNDFIBB-UHFFFAOYSA-N 2 0 324.468 3.895 20 0 DHADRP Cc1ccc(N2C[C@H](CC[NH3+])c3ccccc32)c(C[NH+](C)C)c1 ZINC001168550319 1019035599 /nfs/dbraw/zinc/03/55/99/1019035599.db2.gz YTHGLDZROOKWGA-INIZCTEOSA-N 2 0 309.457 3.641 20 0 DHADRP CCN1CCC([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000159296531 1019036097 /nfs/dbraw/zinc/03/60/97/1019036097.db2.gz WUQUTGLTVOIIJW-GOSISDBHSA-N 2 0 302.462 3.591 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619368 1032804443 /nfs/dbraw/zinc/80/44/43/1032804443.db2.gz LQYOQBRFBXTNHI-AWEZNQCLSA-N 2 0 306.469 3.998 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625084 1032805161 /nfs/dbraw/zinc/80/51/61/1032805161.db2.gz BDZFUDDVNVARRD-CQSZACIVSA-N 2 0 304.478 3.564 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995072 1032807178 /nfs/dbraw/zinc/80/71/78/1032807178.db2.gz CCNWDAGINOBPSU-OLZOCXBDSA-N 2 0 312.910 3.987 20 0 DHADRP COc1ccc([C@H](C)[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923301563 1019120568 /nfs/dbraw/zinc/12/05/68/1019120568.db2.gz WOZNKATUAWJGJZ-UNPWZGGWSA-N 2 0 302.462 3.609 20 0 DHADRP CC(C)C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccccn1 ZINC000635010101 1019137975 /nfs/dbraw/zinc/13/79/75/1019137975.db2.gz YHZZDIMCNBJJEV-ICSRJNTNSA-N 2 0 311.473 3.719 20 0 DHADRP CCOC1CCC([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000657845273 1019141641 /nfs/dbraw/zinc/14/16/41/1019141641.db2.gz MMYDEWVLYZMSNE-OQSMONGASA-N 2 0 310.526 3.680 20 0 DHADRP C[N@H+](C[C@H]1Cc2ccccc2O1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171644876 1032810106 /nfs/dbraw/zinc/81/01/06/1032810106.db2.gz RQJZFEFKEBPLHE-QGZVFWFLSA-N 2 0 316.489 3.573 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998490 1032813067 /nfs/dbraw/zinc/81/30/67/1032813067.db2.gz WTLQRLYBDKAGFD-GOSISDBHSA-N 2 0 316.489 3.876 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC000858246115 1032814042 /nfs/dbraw/zinc/81/40/42/1032814042.db2.gz VGJSQZKTZSVMCY-AWEZNQCLSA-N 2 0 314.445 3.823 20 0 DHADRP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000923483070 1019232711 /nfs/dbraw/zinc/23/27/11/1019232711.db2.gz WXIHDGZEIBANIY-OAHLLOKOSA-N 2 0 315.486 3.543 20 0 DHADRP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CC[NH2+]CC1 ZINC000923526050 1019263992 /nfs/dbraw/zinc/26/39/92/1019263992.db2.gz NOTTVIPBRWVXPQ-MQVJKMGUSA-N 2 0 318.427 3.962 20 0 DHADRP CCc1noc(C)c1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063310 1019283072 /nfs/dbraw/zinc/28/30/72/1019283072.db2.gz YXURKUGEKSTQQF-UHFFFAOYSA-N 2 0 315.461 3.629 20 0 DHADRP COc1ccc2cc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)ccc2c1 ZINC000666999549 1032821058 /nfs/dbraw/zinc/82/10/58/1032821058.db2.gz VCDQCGLMDMVITI-SFHVURJKSA-N 2 0 310.441 3.613 20 0 DHADRP FCC1(CF)CC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000657858752 1019308137 /nfs/dbraw/zinc/30/81/37/1019308137.db2.gz KKNIVVWVNLSGLF-KRWDZBQOSA-N 2 0 322.443 3.576 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000672614633 1019318454 /nfs/dbraw/zinc/31/84/54/1019318454.db2.gz ZTCLDPHVERLKDE-SJORKVTESA-N 2 0 318.505 3.897 20 0 DHADRP c1ccc(OCCCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786596 1019334544 /nfs/dbraw/zinc/33/45/44/1019334544.db2.gz NXNCYAANFDYMQY-LJQANCHMSA-N 2 0 316.489 3.557 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001168699776 1019339021 /nfs/dbraw/zinc/33/90/21/1019339021.db2.gz NXNJFOQNWFSJFH-MRXNPFEDSA-N 2 0 306.881 3.663 20 0 DHADRP C[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000924633843 1032826359 /nfs/dbraw/zinc/82/63/59/1032826359.db2.gz KQOHDRMXGCDINK-IIBYNOLFSA-N 2 0 324.468 3.540 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000166479038 1019367579 /nfs/dbraw/zinc/36/75/79/1019367579.db2.gz XCUKNJCAJVFLIH-HUUCEWRRSA-N 2 0 306.881 3.834 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000105480551 1019430939 /nfs/dbraw/zinc/43/09/39/1019430939.db2.gz GHHOXVVHBCHMQC-UTKZUKDTSA-N 2 0 324.468 3.695 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000678772020 1032831431 /nfs/dbraw/zinc/83/14/31/1032831431.db2.gz CHUVHLOFPLRTME-AWEZNQCLSA-N 2 0 310.869 3.571 20 0 DHADRP Cc1ccc(CC[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001171679629 1032831637 /nfs/dbraw/zinc/83/16/37/1032831637.db2.gz MALVWCCEAUMUSW-GOSISDBHSA-N 2 0 300.490 3.734 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccnc1 ZINC000091286683 1019455979 /nfs/dbraw/zinc/45/59/79/1019455979.db2.gz XTXJKEBAJZTIMY-LJQANCHMSA-N 2 0 303.494 3.880 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001171637913 1032833995 /nfs/dbraw/zinc/83/39/95/1032833995.db2.gz SIFMYIHVMDZOMV-LBPRGKRZSA-N 2 0 306.416 3.912 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1(C)C ZINC001171637847 1032835690 /nfs/dbraw/zinc/83/56/90/1032835690.db2.gz PXLVNGGDOOJJFJ-HNNXBMFYSA-N 2 0 301.478 3.522 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C(F)F ZINC000657868507 1019593907 /nfs/dbraw/zinc/59/39/07/1019593907.db2.gz UUSSWMXRDOHBLZ-NVXWUHKLSA-N 2 0 324.459 3.820 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168705085 1019626504 /nfs/dbraw/zinc/62/65/04/1019626504.db2.gz RKZROARKKFTGKK-INIZCTEOSA-N 2 0 306.881 3.517 20 0 DHADRP C[C@H]1C[C@H](n2ccc3c2cccc3C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171726078 1032846783 /nfs/dbraw/zinc/84/67/83/1032846783.db2.gz CLVCZWDYWXJWNB-LPHOPBHVSA-N 2 0 319.452 3.936 20 0 DHADRP CC(C)[N@H+]([C@H]1Cc2cccc(Cl)c2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168708233 1019748927 /nfs/dbraw/zinc/74/89/27/1019748927.db2.gz NMBDZHRCMHOUPW-JYJNAYRXSA-N 2 0 306.881 3.788 20 0 DHADRP CCOc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000061556863 1019752588 /nfs/dbraw/zinc/75/25/88/1019752588.db2.gz IAYXYQROVDDAQJ-UHFFFAOYSA-N 2 0 312.457 3.697 20 0 DHADRP COCC1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926588042 1019799420 /nfs/dbraw/zinc/79/94/20/1019799420.db2.gz RPHJYENIVZVSJX-LYGPFTKASA-N 2 0 304.478 3.604 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000685455677 1019839879 /nfs/dbraw/zinc/83/98/79/1019839879.db2.gz IIXWFQBZERYUGR-MJJDPTRDSA-N 2 0 308.416 3.531 20 0 DHADRP CCCC[NH+](CCCC)CCCOC1CC2(C1)CC[NH2+]CC2 ZINC001217799079 1019873522 /nfs/dbraw/zinc/87/35/22/1019873522.db2.gz SQCXYOBFMPDKLU-UHFFFAOYSA-N 2 0 310.526 3.828 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCCC2)c1 ZINC000168396517 1019890808 /nfs/dbraw/zinc/89/08/08/1019890808.db2.gz VHLGIMGDKMVNBN-IAGOWNOFSA-N 2 0 315.505 3.668 20 0 DHADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000671747813 1019917164 /nfs/dbraw/zinc/91/71/64/1019917164.db2.gz PLXNFSUIWPKZJA-LRDDRELGSA-N 2 0 319.449 3.550 20 0 DHADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000671747815 1019917917 /nfs/dbraw/zinc/91/79/17/1019917917.db2.gz PLXNFSUIWPKZJA-WBMJQRKESA-N 2 0 319.449 3.550 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168717803 1019941366 /nfs/dbraw/zinc/94/13/66/1019941366.db2.gz KAGQRTRBSILCID-GDBMZVCRSA-N 2 0 306.881 3.648 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000685572287 1019958459 /nfs/dbraw/zinc/95/84/59/1019958459.db2.gz JYDSUGVLPSAWOJ-UHFFFAOYSA-N 2 0 307.482 3.625 20 0 DHADRP Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001171768148 1032866185 /nfs/dbraw/zinc/86/61/85/1032866185.db2.gz FCCKRLKMJRZNDO-IBGZPJMESA-N 2 0 324.443 3.679 20 0 DHADRP CCOC1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000657969679 1020046166 /nfs/dbraw/zinc/04/61/66/1020046166.db2.gz SZQWQIHZSOILDM-AAILRHKWSA-N 2 0 308.510 3.577 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000922503946 1020104673 /nfs/dbraw/zinc/10/46/73/1020104673.db2.gz LXNVRUUQKVLLOX-UHFFFAOYSA-N 2 0 313.445 3.715 20 0 DHADRP CC[C@H]1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000922505990 1020107393 /nfs/dbraw/zinc/10/73/93/1020107393.db2.gz WKQLNDWIBFEBLN-RRENTHDGSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000658061819 1020111743 /nfs/dbraw/zinc/11/17/43/1020111743.db2.gz CUQPPQQYMLBQBP-ZIFCJYIRSA-N 2 0 315.505 3.818 20 0 DHADRP CCC1(C)CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000658067713 1020126732 /nfs/dbraw/zinc/12/67/32/1020126732.db2.gz PSBWPWHTHTVOFT-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP c1nc2c(s1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000623893537 1020138627 /nfs/dbraw/zinc/13/86/27/1020138627.db2.gz ULYYYCSKGBZVTQ-HNNXBMFYSA-N 2 0 307.507 3.766 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658134843 1020167979 /nfs/dbraw/zinc/16/79/79/1020167979.db2.gz CASPJNMTLSPKHB-VQIMIIECSA-N 2 0 318.505 3.558 20 0 DHADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC[NH+](C)C ZINC000673598971 1020173279 /nfs/dbraw/zinc/17/32/79/1020173279.db2.gz MUFFZEDYSSFFMB-RAXLEYEMSA-N 2 0 300.368 3.650 20 0 DHADRP CC(C)(F)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658191312 1020212975 /nfs/dbraw/zinc/21/29/75/1020212975.db2.gz PVIWAFHLQGWAQX-NNZMDNLPSA-N 2 0 304.453 3.910 20 0 DHADRP CC(C)O[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000765800600 1020222768 /nfs/dbraw/zinc/22/27/68/1020222768.db2.gz LCIDYTBUYLXDPP-BTRQGYIVSA-N 2 0 322.537 3.965 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)O1 ZINC000658217593 1020246590 /nfs/dbraw/zinc/24/65/90/1020246590.db2.gz FRSNMVGGXFZBAY-QFHJOOASSA-N 2 0 308.510 3.577 20 0 DHADRP CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001119990317 1020267943 /nfs/dbraw/zinc/26/79/43/1020267943.db2.gz VKPSFVMTOHMJFW-MELADBBJSA-N 2 0 310.532 3.632 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C(F)F)nc1 ZINC000658353522 1020320198 /nfs/dbraw/zinc/32/01/98/1020320198.db2.gz NVMPBLZYLMBJCX-ZDUSSCGKSA-N 2 0 323.431 3.792 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000282278722 1020360166 /nfs/dbraw/zinc/36/01/66/1020360166.db2.gz RPVBJNABLNPZBS-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000282278718 1020360280 /nfs/dbraw/zinc/36/02/80/1020360280.db2.gz RPVBJNABLNPZBS-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000282280999 1020399541 /nfs/dbraw/zinc/39/95/41/1020399541.db2.gz RRZIOKKSEMSLRI-WOJBJXKFSA-N 2 0 318.505 3.822 20 0 DHADRP Fc1ccccc1C1CC([NH2+][C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000655848121 1020421914 /nfs/dbraw/zinc/42/19/14/1020421914.db2.gz BVEZYILRVAZJAN-BURPLHJFSA-N 2 0 302.437 3.678 20 0 DHADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(C[NH3+])CC1 ZINC001205026474 1020432631 /nfs/dbraw/zinc/43/26/31/1020432631.db2.gz PYMRWBPLHDIXHT-INIZCTEOSA-N 2 0 302.506 3.833 20 0 DHADRP [NH3+]CCCCCC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000843126505 1020436834 /nfs/dbraw/zinc/43/68/34/1020436834.db2.gz HLASLQGKXBKHRU-UHFFFAOYSA-N 2 0 308.775 3.968 20 0 DHADRP Cl/C=C\C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000903446616 1020439707 /nfs/dbraw/zinc/43/97/07/1020439707.db2.gz ZSGPTXMCDBTBPD-HJAIQDOCSA-N 2 0 304.865 3.914 20 0 DHADRP C(CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)CCC[NH+]1CCCC1 ZINC000921686615 1020445264 /nfs/dbraw/zinc/44/52/64/1020445264.db2.gz LTHFPYUOEYZGTB-XUVXKRRUSA-N 2 0 322.537 3.828 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2o1 ZINC000347931195 1020456554 /nfs/dbraw/zinc/45/65/54/1020456554.db2.gz VCNSIGFRDUZZCJ-IEBWSBKVSA-N 2 0 310.441 3.882 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000347933574 1020456647 /nfs/dbraw/zinc/45/66/47/1020456647.db2.gz DXCKVBOGGIFXFZ-INIZCTEOSA-N 2 0 318.530 3.904 20 0 DHADRP Cc1cnc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c(C)c1 ZINC000926953421 1032905668 /nfs/dbraw/zinc/90/56/68/1032905668.db2.gz KHONIKSTSAFNSF-UHFFFAOYSA-N 2 0 301.478 3.585 20 0 DHADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000766045677 1020596321 /nfs/dbraw/zinc/59/63/21/1020596321.db2.gz TUVJEONBLBQSSA-RDTXWAMCSA-N 2 0 304.478 3.639 20 0 DHADRP C[C@H]([NH2+]C1CC(CF)(CF)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657968746 1020597186 /nfs/dbraw/zinc/59/71/86/1020597186.db2.gz YJEJQHDOINHPJS-DOTOQJQBSA-N 2 0 322.443 3.574 20 0 DHADRP Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000674013400 1020633766 /nfs/dbraw/zinc/63/37/66/1020633766.db2.gz OEMVODWTSHIWQJ-IBGZPJMESA-N 2 0 307.372 3.958 20 0 DHADRP CCC[NH+]1CCC(N[C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000133187215 1020707970 /nfs/dbraw/zinc/70/79/70/1020707970.db2.gz ZBUSEPAUGIBUQK-QGZVFWFLSA-N 2 0 306.425 3.503 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310106082 1020766504 /nfs/dbraw/zinc/76/65/04/1020766504.db2.gz CWPXYUNZDXSMLZ-YYWHXJBOSA-N 2 0 320.480 3.827 20 0 DHADRP CC[C@@H]1C[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647497827 1020768078 /nfs/dbraw/zinc/76/80/78/1020768078.db2.gz WTWPNXWAYFSLEX-WOSRLPQWSA-N 2 0 314.395 3.868 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC001171959603 1032927162 /nfs/dbraw/zinc/92/71/62/1032927162.db2.gz CLVMJSDITMCHAY-ZDUSSCGKSA-N 2 0 316.411 3.814 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001171958509 1032927784 /nfs/dbraw/zinc/92/77/84/1032927784.db2.gz ALKAAKRVGUJFOB-ZFWWWQNUSA-N 2 0 314.395 3.568 20 0 DHADRP CSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966549 1032936484 /nfs/dbraw/zinc/93/64/84/1032936484.db2.gz LLYBFSYJQXEFNM-KRWDZBQOSA-N 2 0 306.519 3.772 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171962160 1032932518 /nfs/dbraw/zinc/93/25/18/1032932518.db2.gz CIEJVNIXQZCWHG-KURKYZTESA-N 2 0 304.453 3.910 20 0 DHADRP CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000766227432 1020852392 /nfs/dbraw/zinc/85/23/92/1020852392.db2.gz VORCBAQWNVLAQL-QGPMSJSTSA-N 2 0 322.518 3.562 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCC2 ZINC000414162999 1020951204 /nfs/dbraw/zinc/95/12/04/1020951204.db2.gz FJOCRUHMSNDEPA-CQSZACIVSA-N 2 0 312.442 3.520 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000537936356 1032945740 /nfs/dbraw/zinc/94/57/40/1032945740.db2.gz OGZPBUQSZGJBLE-BTHPGYMESA-N 2 0 322.537 3.823 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000174076117 1020953795 /nfs/dbraw/zinc/95/37/95/1020953795.db2.gz AKWRFQIGZPVRGE-BRIRTLKKSA-N 2 0 321.468 3.928 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000414169780 1020958579 /nfs/dbraw/zinc/95/85/79/1020958579.db2.gz BNJRWSUYUIMPDC-PBHICJAKSA-N 2 0 322.880 3.875 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000414188434 1020975361 /nfs/dbraw/zinc/97/53/61/1020975361.db2.gz QRIKYRQQIAKYKY-YOEHRIQHSA-N 2 0 322.880 3.875 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cc(F)ccc1F ZINC000171128503 1020983224 /nfs/dbraw/zinc/98/32/24/1020983224.db2.gz WVNRTAHCFAHNKX-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414192296 1020984544 /nfs/dbraw/zinc/98/45/44/1020984544.db2.gz SWJPSDQXCJDGQV-HNNXBMFYSA-N 2 0 309.413 3.974 20 0 DHADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1SC ZINC000414198268 1020985953 /nfs/dbraw/zinc/98/59/53/1020985953.db2.gz WWWLGXQMNBEUIE-GJZGRUSLSA-N 2 0 322.518 3.800 20 0 DHADRP CC(C)CSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000537948286 1032948464 /nfs/dbraw/zinc/94/84/64/1032948464.db2.gz FSWKRABPJLWGGJ-MJGOQNOKSA-N 2 0 320.546 3.876 20 0 DHADRP Cc1nc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sc1C ZINC000892590853 1021051750 /nfs/dbraw/zinc/05/17/50/1021051750.db2.gz YCNYSFQIBYEYHK-OKILXGFUSA-N 2 0 309.523 3.608 20 0 DHADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414347872 1021117966 /nfs/dbraw/zinc/11/79/66/1021117966.db2.gz NWUPPKJAJYYVBO-OMQSBVIBSA-N 2 0 322.452 3.636 20 0 DHADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647549005 1021156923 /nfs/dbraw/zinc/15/69/23/1021156923.db2.gz FBSWPQXWEFAPSX-AFDCHOCNSA-N 2 0 312.501 3.766 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000423219796 1021163938 /nfs/dbraw/zinc/16/39/38/1021163938.db2.gz ULUHHYUMWIYEIF-XUJLQICISA-N 2 0 323.278 3.686 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000423296546 1021167084 /nfs/dbraw/zinc/16/70/84/1021167084.db2.gz ZIAJQYIVUQLDRD-ORYQWCPZSA-N 2 0 323.484 3.631 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000423296544 1021167248 /nfs/dbraw/zinc/16/72/48/1021167248.db2.gz ZIAJQYIVUQLDRD-DQLDELGASA-N 2 0 323.484 3.631 20 0 DHADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1C(F)(F)F ZINC000414400691 1021201382 /nfs/dbraw/zinc/20/13/82/1021201382.db2.gz VFSKPKWUBHXXBM-HIFRSBDPSA-N 2 0 314.395 3.928 20 0 DHADRP FC(F)(F)CC[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001202329822 1021220169 /nfs/dbraw/zinc/22/01/69/1021220169.db2.gz WIHRCJOEFGWGQU-UHFFFAOYSA-N 2 0 316.367 3.520 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000090881621 1021253608 /nfs/dbraw/zinc/25/36/08/1021253608.db2.gz XMZBLCKJEFEOMB-RHSMWYFYSA-N 2 0 324.896 3.601 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423481507 1021257901 /nfs/dbraw/zinc/25/79/01/1021257901.db2.gz WWMACEMYNQCDEP-KANFNMMFSA-N 2 0 304.453 3.543 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccns1 ZINC000924584988 1021263818 /nfs/dbraw/zinc/26/38/18/1021263818.db2.gz OZKFQGZJTFOWGG-AWEZNQCLSA-N 2 0 303.475 3.836 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000252130555 1021275001 /nfs/dbraw/zinc/27/50/01/1021275001.db2.gz KSBIEBDGDHVBCN-KDOFPFPSSA-N 2 0 306.881 3.661 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000091335650 1021276535 /nfs/dbraw/zinc/27/65/35/1021276535.db2.gz LHBIDKORABKUGI-OXJNMPFZSA-N 2 0 316.489 3.858 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000537971864 1032969268 /nfs/dbraw/zinc/96/92/68/1032969268.db2.gz KGRUCHWEDOFWMD-SCTDSRPQSA-N 2 0 318.505 3.843 20 0 DHADRP CCO[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986940 1032972025 /nfs/dbraw/zinc/97/20/25/1032972025.db2.gz NGYWYECSECJGDL-RBUKOAKNSA-N 2 0 316.489 3.540 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000181368294 1021468294 /nfs/dbraw/zinc/46/82/94/1021468294.db2.gz LAOJEEWKKUSEJC-HDICACEKSA-N 2 0 312.457 3.705 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058515 1021506892 /nfs/dbraw/zinc/50/68/92/1021506892.db2.gz LCYIBQGVERYOFG-CABCVRRESA-N 2 0 300.421 3.971 20 0 DHADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000556094552 1021520959 /nfs/dbraw/zinc/52/09/59/1021520959.db2.gz VZSQNRYXEZSEGO-PKOBYXMFSA-N 2 0 320.521 3.580 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850420419 1021522173 /nfs/dbraw/zinc/52/21/73/1021522173.db2.gz OLSUEBCCSYUUNJ-JKSUJKDBSA-N 2 0 318.427 3.819 20 0 DHADRP CCOC1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000850440438 1021535048 /nfs/dbraw/zinc/53/50/48/1021535048.db2.gz XTBWJKTUPQWEFE-UHFFFAOYSA-N 2 0 308.510 3.721 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850443874 1021537688 /nfs/dbraw/zinc/53/76/88/1021537688.db2.gz VIRRQANGZRTPQG-HNNXBMFYSA-N 2 0 302.462 3.535 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC001172099481 1032989613 /nfs/dbraw/zinc/98/96/13/1032989613.db2.gz IKWPLGZRGINRNX-MUJYYYPQSA-N 2 0 312.379 3.810 20 0 DHADRP F[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065652 1032989927 /nfs/dbraw/zinc/98/99/27/1032989927.db2.gz PWZWMCWJJSYSCT-BSHDOZJQSA-N 2 0 302.437 3.662 20 0 DHADRP Cn1cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069804 1032995233 /nfs/dbraw/zinc/99/52/33/1032995233.db2.gz XMRUJXNRSIZJQX-OWZKRDHZSA-N 2 0 323.484 3.700 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000556221618 1021619267 /nfs/dbraw/zinc/61/92/67/1021619267.db2.gz BODSJEHZMQAPIF-IEBWSBKVSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850585017 1021625232 /nfs/dbraw/zinc/62/52/32/1021625232.db2.gz UZAIFJHXFAYULP-OAHLLOKOSA-N 2 0 304.453 3.907 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cc(OC)ccc3o2)[C@H](C)C1 ZINC000093639816 1021639069 /nfs/dbraw/zinc/63/90/69/1021639069.db2.gz HPSATGSZWJQWGG-KDOFPFPSSA-N 2 0 316.445 3.604 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093688622 1021650484 /nfs/dbraw/zinc/65/04/84/1021650484.db2.gz SGWKDFSTRIILFA-UHFFFAOYSA-N 2 0 323.550 3.994 20 0 DHADRP C[N@H+](CCCC[NH3+])Cc1cc(Br)c2ccccc2c1 ZINC001236141061 1021671135 /nfs/dbraw/zinc/67/11/35/1021671135.db2.gz FCHAUIODJAYUFL-UHFFFAOYSA-N 2 0 321.262 3.773 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000926862207 1021677938 /nfs/dbraw/zinc/67/79/38/1021677938.db2.gz WJODKSSMJQXPSE-YJBOKZPZSA-N 2 0 302.462 3.501 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892940121 1021699631 /nfs/dbraw/zinc/69/96/31/1021699631.db2.gz ZHIWXLICQIWGBT-UHFFFAOYSA-N 2 0 308.416 3.532 20 0 DHADRP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893000942 1021786748 /nfs/dbraw/zinc/78/67/48/1021786748.db2.gz XVQMEEPGEBMCQH-XWIXUBGPSA-N 2 0 322.880 3.631 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000926889976 1021792503 /nfs/dbraw/zinc/79/25/03/1021792503.db2.gz SOCVOGWOAINTHT-LHQJTOJGSA-N 2 0 322.537 3.704 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000158988331 1021830905 /nfs/dbraw/zinc/83/09/05/1021830905.db2.gz SLBMECJINYHIRS-INIZCTEOSA-N 2 0 306.519 3.548 20 0 DHADRP c1cc2cnccc2c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000183344512 1021838404 /nfs/dbraw/zinc/83/84/04/1021838404.db2.gz JWWITSLDGUCRRD-LJQANCHMSA-N 2 0 309.457 3.685 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000261916854 1021850650 /nfs/dbraw/zinc/85/06/50/1021850650.db2.gz HCYMMGBEWBSLMY-SGMGOOAPSA-N 2 0 316.367 3.705 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000556865376 1021900482 /nfs/dbraw/zinc/90/04/82/1021900482.db2.gz LKKQKVDYJRLSGA-ULQDDVLXSA-N 2 0 324.921 3.895 20 0 DHADRP Cc1cccc(Cl)c1C(=[NH2+])N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114749 1033014554 /nfs/dbraw/zinc/01/45/54/1033014554.db2.gz SUHBVEHNNJJCKO-ZSOGYDGISA-N 2 0 305.853 3.579 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000556869359 1021910684 /nfs/dbraw/zinc/91/06/84/1021910684.db2.gz GXIIACHHAMNDJE-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP CCCN1CCC[C@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000556924114 1021947352 /nfs/dbraw/zinc/94/73/52/1021947352.db2.gz FZJMJRWSWKFIOC-YZGWKJHDSA-N 2 0 316.489 3.618 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178256340 1021949944 /nfs/dbraw/zinc/94/99/44/1021949944.db2.gz IBHCYQFYAQASSX-CVEARBPZSA-N 2 0 316.489 3.651 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001172119329 1033024393 /nfs/dbraw/zinc/02/43/93/1033024393.db2.gz YQOXDTYXAWZEDR-MWDXBVQZSA-N 2 0 323.484 3.645 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924660353 1033024134 /nfs/dbraw/zinc/02/41/34/1033024134.db2.gz YEGXWBKSLSFYMR-DZIBYMRMSA-N 2 0 316.489 3.574 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000925519124 1022099279 /nfs/dbraw/zinc/09/92/79/1022099279.db2.gz HNJJEZOTOUOGNG-HKUYNNGSSA-N 2 0 321.553 3.527 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000309887730 1022181623 /nfs/dbraw/zinc/18/16/23/1022181623.db2.gz ADFWSPNALPKXAP-PMACEKPBSA-N 2 0 314.473 3.571 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172192494 1033036392 /nfs/dbraw/zinc/03/63/92/1033036392.db2.gz DNEZVJIQTSIRIH-BZSNNMDCSA-N 2 0 318.530 3.946 20 0 DHADRP COc1c(C)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1C ZINC000853093683 1022220738 /nfs/dbraw/zinc/22/07/38/1022220738.db2.gz QKJBLRZJNKSHFH-SFHVURJKSA-N 2 0 316.489 3.524 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2C[C@H](C)CCC2=C(C)C)CC1 ZINC000924661799 1033038028 /nfs/dbraw/zinc/03/80/28/1033038028.db2.gz UAMQQUVEKKLKLM-QUCCMNQESA-N 2 0 321.553 3.519 20 0 DHADRP CO[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659943327 1022229516 /nfs/dbraw/zinc/22/95/16/1022229516.db2.gz BGTMEDLTQUZITF-RBUKOAKNSA-N 2 0 308.510 3.532 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC001169090260 1022256190 /nfs/dbraw/zinc/25/61/90/1022256190.db2.gz JEFIVFTZRAEXBA-SAGHKKRDSA-N 2 0 302.506 3.950 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169090204 1022256329 /nfs/dbraw/zinc/25/63/29/1022256329.db2.gz IQHVITOFOPIVNT-IVOPJIGNSA-N 2 0 302.506 3.806 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3cc(Cl)ccc31)C2 ZINC001169089349 1022257115 /nfs/dbraw/zinc/25/71/15/1022257115.db2.gz BYGSHUUUTJFVRR-ZSHCYNCHSA-N 2 0 317.864 3.594 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3F)CCC1)C2 ZINC001169118186 1022258857 /nfs/dbraw/zinc/25/88/57/1022258857.db2.gz FHKABTJLJDTARA-BJWYYQGGSA-N 2 0 302.437 3.506 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109597 1022268268 /nfs/dbraw/zinc/26/82/68/1022268268.db2.gz FQXNKXNPGKBPSR-AKHDSKFASA-N 2 0 302.437 3.882 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCc1ccc(Cl)cc1)C2 ZINC001169109589 1022268560 /nfs/dbraw/zinc/26/85/60/1022268560.db2.gz DZXIVDDMSJHCKM-BCDXTJNWSA-N 2 0 306.881 3.878 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Cl)c3)CCC1)C2 ZINC001169115582 1022269750 /nfs/dbraw/zinc/26/97/50/1022269750.db2.gz LCVWRDRQJLPUBE-BJWYYQGGSA-N 2 0 304.865 3.934 20 0 DHADRP COc1cccc([C@H]2CCCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169141371 1022271582 /nfs/dbraw/zinc/27/15/82/1022271582.db2.gz QGLWTKJCACJFTD-DOADOZAASA-N 2 0 314.473 3.847 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142603 1022274969 /nfs/dbraw/zinc/27/49/69/1022274969.db2.gz DKSYJJHFHDMGLH-DMUMMCEESA-N 2 0 314.473 3.847 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001169155794 1022286581 /nfs/dbraw/zinc/28/65/81/1022286581.db2.gz VHHCTEPALWZBRT-UMPJEAMMSA-N 2 0 306.400 3.727 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3ccc(F)cc3F)CC1)C2 ZINC001169161969 1022289091 /nfs/dbraw/zinc/28/90/91/1022289091.db2.gz QXOHCHTYEROKMS-BJWYYQGGSA-N 2 0 320.427 3.769 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000659989619 1022305503 /nfs/dbraw/zinc/30/55/03/1022305503.db2.gz PUTVETVKHUDMMZ-QWFCFKBJSA-N 2 0 300.490 3.844 20 0 DHADRP CC[NH+]1CCC(n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)CC1 ZINC001169263904 1022319971 /nfs/dbraw/zinc/31/99/71/1022319971.db2.gz COSJQZJXPHHZQU-KRWDZBQOSA-N 2 0 312.461 3.508 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001169241531 1022321436 /nfs/dbraw/zinc/32/14/36/1022321436.db2.gz OMHFYMQTPQNZMR-UHFFFAOYSA-N 2 0 304.453 3.612 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368528414 1022336671 /nfs/dbraw/zinc/33/66/71/1022336671.db2.gz QEQDPQWKVPCQDM-LPHOPBHVSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000368526948 1022336952 /nfs/dbraw/zinc/33/69/52/1022336952.db2.gz JRUKGGMEBYVPGZ-OTWHNJEPSA-N 2 0 322.537 3.683 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172221688 1033048230 /nfs/dbraw/zinc/04/82/30/1033048230.db2.gz YNZUUAZDFQTOOI-UVADEXNPSA-N 2 0 306.494 3.601 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654326 1022384459 /nfs/dbraw/zinc/38/44/59/1022384459.db2.gz GVPYGESNVFFOMU-NVXWUHKLSA-N 2 0 306.881 3.648 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000695658097 1022397085 /nfs/dbraw/zinc/39/70/85/1022397085.db2.gz ZQOIVIINCCRMSN-YQQAZPJKSA-N 2 0 306.881 3.647 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000671098944 1022441256 /nfs/dbraw/zinc/44/12/56/1022441256.db2.gz JZLYFQPXKKBDHZ-IRXDYDNUSA-N 2 0 318.505 3.964 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)C1CC[NH+](C)CC1 ZINC000396457558 1022475224 /nfs/dbraw/zinc/47/52/24/1022475224.db2.gz NYLGZFYORIPGDK-WBMJQRKESA-N 2 0 308.466 3.683 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000156883052 1022501696 /nfs/dbraw/zinc/50/16/96/1022501696.db2.gz INTJDMDJZWHGIS-WBMJQRKESA-N 2 0 315.288 3.856 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272386606 1022503001 /nfs/dbraw/zinc/50/30/01/1022503001.db2.gz XFFDJBMLXYNSKT-YQVWRLOYSA-N 2 0 318.505 3.690 20 0 DHADRP C[NH+](C)CCC(C)(C)Nc1cc(OCc2ccccc2)cc[nH+]1 ZINC001169710998 1022514520 /nfs/dbraw/zinc/51/45/20/1022514520.db2.gz FDCDKHYTXSCDKJ-UHFFFAOYSA-N 2 0 313.445 3.803 20 0 DHADRP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157403282 1022546767 /nfs/dbraw/zinc/54/67/67/1022546767.db2.gz CQFLGFZPQYFPLC-INIZCTEOSA-N 2 0 304.478 3.987 20 0 DHADRP c1ccc(COc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2)cc1 ZINC001169794031 1022549318 /nfs/dbraw/zinc/54/93/18/1022549318.db2.gz CZVRLDIVOUAYIU-UHFFFAOYSA-N 2 0 323.440 3.558 20 0 DHADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925577995 1022591592 /nfs/dbraw/zinc/59/15/92/1022591592.db2.gz YKCVSSHLVIXSPR-FHWLQOOXSA-N 2 0 304.478 3.507 20 0 DHADRP CC(C)(C[NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCCO1 ZINC000925582364 1022607815 /nfs/dbraw/zinc/60/78/15/1022607815.db2.gz ZFHBPMYSRNGYAC-ROUUACIJSA-N 2 0 304.478 3.652 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158613111 1022649041 /nfs/dbraw/zinc/64/90/41/1022649041.db2.gz PXICJSQTPRUXLI-WMZOPIPTSA-N 2 0 306.881 3.689 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000584720076 1022661627 /nfs/dbraw/zinc/66/16/27/1022661627.db2.gz RAIQAJTUXSQYQX-TZMCWYRMSA-N 2 0 315.288 3.985 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)CC(C)C ZINC000417328599 1022680516 /nfs/dbraw/zinc/68/05/16/1022680516.db2.gz CLPSYVNUUVMGKD-WDSOQIARSA-N 2 0 310.526 3.680 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172321400 1033084929 /nfs/dbraw/zinc/08/49/29/1033084929.db2.gz KGNJIHQSKLJYOG-HBFSDRIKSA-N 2 0 318.505 3.692 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000893321903 1022867735 /nfs/dbraw/zinc/86/77/35/1022867735.db2.gz JEXXWKGUYDZXBV-NSHDSACASA-N 2 0 323.428 3.762 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414909056 1022904253 /nfs/dbraw/zinc/90/42/53/1022904253.db2.gz BVDPUJGPLOWXTF-VQTJNVASSA-N 2 0 308.469 3.700 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000414923258 1022912249 /nfs/dbraw/zinc/91/22/49/1022912249.db2.gz ICGQGVYOIAVVOO-JGVFFNPUSA-N 2 0 323.687 3.524 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000414929666 1022927145 /nfs/dbraw/zinc/92/71/45/1022927145.db2.gz RWJUOLXRJWXQBC-NEPJUHHUSA-N 2 0 306.759 3.718 20 0 DHADRP CCCCCOc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000414929638 1022928214 /nfs/dbraw/zinc/92/82/14/1022928214.db2.gz RWARYYMXBKNETO-SJORKVTESA-N 2 0 320.477 3.624 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(Cl)c(C)c2)CC1 ZINC000768304234 1022942535 /nfs/dbraw/zinc/94/25/35/1022942535.db2.gz UZMBSHIOIQOWDV-UHFFFAOYSA-N 2 0 309.885 3.597 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000165300937 1022977108 /nfs/dbraw/zinc/97/71/08/1022977108.db2.gz MFPMQPIEVIPUMG-AEFFLSMTSA-N 2 0 314.498 3.963 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000294247232 1022978674 /nfs/dbraw/zinc/97/86/74/1022978674.db2.gz PSCQCWHIYLQHSM-CYBMUJFWSA-N 2 0 317.383 3.679 20 0 DHADRP FC(F)(F)c1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000622043820 1023005447 /nfs/dbraw/zinc/00/54/47/1023005447.db2.gz NDQJRAWOUUQAQX-XYPWUTKMSA-N 2 0 324.390 3.957 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C3CC(C(F)F)C3)CC2)CC1 ZINC000768708477 1023009435 /nfs/dbraw/zinc/00/94/35/1023009435.db2.gz YHODXWITZGTMDN-UHFFFAOYSA-N 2 0 300.437 3.663 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(C2([NH3+])CCC2)cc1 ZINC001167753247 1023043333 /nfs/dbraw/zinc/04/33/33/1023043333.db2.gz MZAROTSBEHKKTO-MRXNPFEDSA-N 2 0 301.478 3.701 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCc2ccsc2)cc1 ZINC000859212914 1033100999 /nfs/dbraw/zinc/10/09/99/1033100999.db2.gz PDGFXRAARZGLCJ-UHFFFAOYSA-N 2 0 302.487 3.874 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCCSC1 ZINC000769028158 1023070708 /nfs/dbraw/zinc/07/07/08/1023070708.db2.gz DETLLVAAVJRIIG-NUJGCVRESA-N 2 0 318.530 3.628 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000089214763 1023072782 /nfs/dbraw/zinc/07/27/82/1023072782.db2.gz OVRLKPWJZWQJAE-QGZVFWFLSA-N 2 0 309.457 3.957 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(C)C)[C@H](C)C1 ZINC000089597317 1023090625 /nfs/dbraw/zinc/09/06/25/1023090625.db2.gz KHTLSUQXTFEYDQ-AEFFLSMTSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C[C@H]1C ZINC001172372349 1033106937 /nfs/dbraw/zinc/10/69/37/1033106937.db2.gz XMTBBQWWDXZZBB-RKVPGOIHSA-N 2 0 304.453 3.900 20 0 DHADRP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000194037699 1023149584 /nfs/dbraw/zinc/14/95/84/1023149584.db2.gz QVNMPVGZFOTXNM-PMACEKPBSA-N 2 0 314.473 3.523 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628299215 1023158432 /nfs/dbraw/zinc/15/84/32/1023158432.db2.gz HFIAGXNOEAXBEW-UHFFFAOYSA-N 2 0 316.411 3.958 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194212513 1023158855 /nfs/dbraw/zinc/15/88/55/1023158855.db2.gz JALNTIIZLCVCLH-XLIONFOSSA-N 2 0 314.473 3.843 20 0 DHADRP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)co1 ZINC000769538937 1023176018 /nfs/dbraw/zinc/17/60/18/1023176018.db2.gz ZDWHKXVBPSSFEN-UHFFFAOYSA-N 2 0 310.441 3.768 20 0 DHADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172381233 1033114709 /nfs/dbraw/zinc/11/47/09/1033114709.db2.gz YUZSCDBXTROVCV-XUVXKRRUSA-N 2 0 323.569 3.551 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001172336190 1033120713 /nfs/dbraw/zinc/12/07/13/1033120713.db2.gz MCQFOPYCTUFZIJ-IRXDYDNUSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001172336189 1033120836 /nfs/dbraw/zinc/12/08/36/1033120836.db2.gz MCQFOPYCTUFZIJ-IAGOWNOFSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172340434 1033123206 /nfs/dbraw/zinc/12/32/06/1033123206.db2.gz KAQPQBLGBMMVSO-CEXWTWQISA-N 2 0 310.526 3.921 20 0 DHADRP C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000825893048 1033125478 /nfs/dbraw/zinc/12/54/78/1033125478.db2.gz NEJFAQHQAYGDLK-UZLBHIALSA-N 2 0 318.424 3.850 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCCN(C/C=C/c1ccc(Cl)cc1)C2 ZINC000660662422 1023368391 /nfs/dbraw/zinc/36/83/91/1023368391.db2.gz KBTGAXJJDLZOFY-ROVVAWJSSA-N 2 0 304.865 3.771 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC(C(F)(F)F)CC1)C2 ZINC000660665750 1023370465 /nfs/dbraw/zinc/37/04/65/1023370465.db2.gz XTBMKNWTAUNTMK-GPANFISMSA-N 2 0 318.427 3.773 20 0 DHADRP C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651709439 1023482411 /nfs/dbraw/zinc/48/24/11/1023482411.db2.gz WYWYSHAYCOCBCH-DLBZAZTESA-N 2 0 309.457 3.741 20 0 DHADRP C[C@H]1CCCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000651748493 1023517403 /nfs/dbraw/zinc/51/74/03/1023517403.db2.gz NXHRKRYEAJDYPJ-LPHOPBHVSA-N 2 0 301.478 3.856 20 0 DHADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000772482947 1023559613 /nfs/dbraw/zinc/55/96/13/1023559613.db2.gz XIIBPYPTOKPIOD-NRFANRHFSA-N 2 0 321.468 3.884 20 0 DHADRP Cc1nccn1CCCN1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661372408 1023580167 /nfs/dbraw/zinc/58/01/67/1023580167.db2.gz BJGHCAZZZRFLQR-UHFFFAOYSA-N 2 0 324.255 3.947 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000538717381 1033142838 /nfs/dbraw/zinc/14/28/38/1033142838.db2.gz XNCSCBROGDHXDS-CRAIPNDOSA-N 2 0 316.489 3.562 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000651865062 1023604191 /nfs/dbraw/zinc/60/41/91/1023604191.db2.gz MNIDNBVHDDLQBN-HKUYNNGSSA-N 2 0 303.494 3.675 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000538721637 1033147581 /nfs/dbraw/zinc/14/75/81/1033147581.db2.gz WGWXEYVKAINITN-KRWDZBQOSA-N 2 0 316.489 3.869 20 0 DHADRP C[C@@H]1CC[C@@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172368100 1033149244 /nfs/dbraw/zinc/14/92/44/1033149244.db2.gz NHUFHFREZFTWCC-VYIWNADRSA-N 2 0 308.510 3.562 20 0 DHADRP C[C@@H]1CC[C@@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172368097 1033149488 /nfs/dbraw/zinc/14/94/88/1033149488.db2.gz NHUFHFREZFTWCC-FSNPWBFUSA-N 2 0 308.510 3.562 20 0 DHADRP C1CC1[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000651928395 1023649840 /nfs/dbraw/zinc/64/98/40/1023649840.db2.gz FZRKRVMMELUOLR-HXUWFJFHSA-N 2 0 320.521 3.578 20 0 DHADRP CCOCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172414480 1033159350 /nfs/dbraw/zinc/15/93/50/1033159350.db2.gz OSNRFNWHHBTDHT-FRYIKTPZSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)CCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001170070317 1023764916 /nfs/dbraw/zinc/76/49/16/1023764916.db2.gz CWQCKYQONJCBDN-KRWDZBQOSA-N 2 0 303.494 3.632 20 0 DHADRP CCOCC[C@@H](C)[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422150 1033164244 /nfs/dbraw/zinc/16/42/44/1033164244.db2.gz SAWPZHKSIINYTD-MISYRCLQSA-N 2 0 318.505 3.882 20 0 DHADRP CCOCC[C@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422777 1033164431 /nfs/dbraw/zinc/16/44/31/1033164431.db2.gz WOGSYARLLBCTBL-SNRMKQJTSA-N 2 0 322.468 3.713 20 0 DHADRP CCOCC[C@@H](C)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172434055 1033167615 /nfs/dbraw/zinc/16/76/15/1033167615.db2.gz UBMDWIYGHQFPMN-GOSISDBHSA-N 2 0 318.505 3.646 20 0 DHADRP CCC[C@@H](C1CCCCC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751990 1023877269 /nfs/dbraw/zinc/87/72/69/1023877269.db2.gz STJCGCJMWQTBTH-HNNXBMFYSA-N 2 0 307.507 3.709 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788525460 1023905177 /nfs/dbraw/zinc/90/51/77/1023905177.db2.gz DOCMKEAEXSBNFE-INIZCTEOSA-N 2 0 321.896 3.824 20 0 DHADRP CCCCCC[C@@H](CCC)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172387676 1033172828 /nfs/dbraw/zinc/17/28/28/1033172828.db2.gz UFUZBXGZYIFPTI-LJQANCHMSA-N 2 0 311.558 3.695 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccccc2C)C[C@H]1C ZINC000531141207 1024033203 /nfs/dbraw/zinc/03/32/03/1024033203.db2.gz RVHLHZIASLSZEP-QZTJIDSGSA-N 2 0 304.478 3.569 20 0 DHADRP c1ccc2c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccnc2c1 ZINC000538798183 1033184237 /nfs/dbraw/zinc/18/42/37/1033184237.db2.gz QZXXDDKZQRGMGA-UWJYYQICSA-N 2 0 321.468 3.684 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172401953 1033186066 /nfs/dbraw/zinc/18/60/66/1033186066.db2.gz RGNHXLXREOXPSC-GOSISDBHSA-N 2 0 306.469 3.986 20 0 DHADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011060 1024058242 /nfs/dbraw/zinc/05/82/42/1024058242.db2.gz MZVZPJMYRRRBNR-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000662287122 1024068308 /nfs/dbraw/zinc/06/83/08/1024068308.db2.gz WGVCCCOMHKQFRN-UFYCRDLUSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291130 1024070776 /nfs/dbraw/zinc/07/07/76/1024070776.db2.gz BKOWUSNGAOPVGE-CJNGLKHVSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@H](c1c(F)cccc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290972 1024071490 /nfs/dbraw/zinc/07/14/90/1024071490.db2.gz ARKJVAFMZIBCNO-HIFRSBDPSA-N 2 0 308.416 3.737 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC([C@H]3CCC[NH2+]C3)CC1)CC2 ZINC000662291811 1024073691 /nfs/dbraw/zinc/07/36/91/1024073691.db2.gz KTGOQCJKDWQQJC-QFBILLFUSA-N 2 0 302.437 3.525 20 0 DHADRP Fc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000663345894 1024174829 /nfs/dbraw/zinc/17/48/29/1024174829.db2.gz NWQSCGIGQIGREO-CQSZACIVSA-N 2 0 310.844 3.691 20 0 DHADRP CC(C)(C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663346963 1024178219 /nfs/dbraw/zinc/17/82/19/1024178219.db2.gz YTQDZEOTYWSUQD-SFHVURJKSA-N 2 0 300.490 3.676 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347719 1024180608 /nfs/dbraw/zinc/18/06/08/1024180608.db2.gz TYDDRJKSIRAMGX-IBGZPJMESA-N 2 0 316.489 3.685 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC000268874007 1024184673 /nfs/dbraw/zinc/18/46/73/1024184673.db2.gz DJVMRADKXIQBGT-SFHVURJKSA-N 2 0 302.462 3.537 20 0 DHADRP COc1cccc(C[N@H+]([C@H]2CC[C@@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001170122007 1024186125 /nfs/dbraw/zinc/18/61/25/1024186125.db2.gz OTTPDLBVDHERCS-OWYHZJEWSA-N 2 0 316.489 3.956 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269048668 1024230492 /nfs/dbraw/zinc/23/04/92/1024230492.db2.gz VHDUNRVZQDCFSQ-FQEVSTJZSA-N 2 0 314.473 3.679 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000643456648 1024242923 /nfs/dbraw/zinc/24/29/23/1024242923.db2.gz RCQPUWGZFZQJTD-SJORKVTESA-N 2 0 320.358 3.982 20 0 DHADRP Cc1ccncc1CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278871200 1024252258 /nfs/dbraw/zinc/25/22/58/1024252258.db2.gz GEWOTLPMEFFXOV-HKUYNNGSSA-N 2 0 315.505 3.565 20 0 DHADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCN(C)C1CCCCC1 ZINC000876984188 1033197241 /nfs/dbraw/zinc/19/72/41/1033197241.db2.gz CTTSTMIEOGCRRS-YCRPNKLZSA-N 2 0 318.442 3.564 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531682827 1024269495 /nfs/dbraw/zinc/26/94/95/1024269495.db2.gz DZABYSNHQGZNRW-GJYPPUQNSA-N 2 0 302.506 3.845 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000453060182 1024309028 /nfs/dbraw/zinc/30/90/28/1024309028.db2.gz JMGJBZHGMYBMOE-GOSISDBHSA-N 2 0 318.486 3.929 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000453065380 1024313253 /nfs/dbraw/zinc/31/32/53/1024313253.db2.gz UUBWIODLFOWUNI-SCTDSRPQSA-N 2 0 303.494 3.880 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000453082080 1024320184 /nfs/dbraw/zinc/32/01/84/1024320184.db2.gz MBFAJBGKUQLYBB-IJEWVQPXSA-N 2 0 310.507 3.597 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000453090883 1024326006 /nfs/dbraw/zinc/32/60/06/1024326006.db2.gz POTBIJIPOQPBCH-QZTJIDSGSA-N 2 0 303.494 3.647 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453127653 1024357371 /nfs/dbraw/zinc/35/73/71/1024357371.db2.gz LMMHDDVKAFSEFL-IIAWOOMASA-N 2 0 310.507 3.633 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)C ZINC000453161544 1024374979 /nfs/dbraw/zinc/37/49/79/1024374979.db2.gz OQIDWTJSFIOCHO-BZSNNMDCSA-N 2 0 310.526 3.559 20 0 DHADRP C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001170144498 1024378736 /nfs/dbraw/zinc/37/87/36/1024378736.db2.gz KJYMHBSMNFFRCD-FUHWJXTLSA-N 2 0 302.462 3.756 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2s1 ZINC000925775207 1024386454 /nfs/dbraw/zinc/38/64/54/1024386454.db2.gz DQRJAAUXVARNMK-YPMHNXCESA-N 2 0 310.413 3.797 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCCOC1 ZINC000883352216 1024396602 /nfs/dbraw/zinc/39/66/02/1024396602.db2.gz WZIXJWBHKXOFDC-BWPNAZKDSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCCOC1 ZINC000883352217 1024397870 /nfs/dbraw/zinc/39/78/70/1024397870.db2.gz WZIXJWBHKXOFDC-CUDHKJQZSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466457 1024405305 /nfs/dbraw/zinc/40/53/05/1024405305.db2.gz TZAAELXVVNEVMR-PXNSSMCTSA-N 2 0 315.505 3.504 20 0 DHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466966 1024409617 /nfs/dbraw/zinc/40/96/17/1024409617.db2.gz CHAOYEQYYDXMFT-APWZRJJASA-N 2 0 318.480 3.858 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1N(C)C ZINC000663467789 1024415826 /nfs/dbraw/zinc/41/58/26/1024415826.db2.gz HZYASUPGIYVGSW-WMZOPIPTSA-N 2 0 315.505 3.525 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)c(C)c1 ZINC000453240512 1024421142 /nfs/dbraw/zinc/42/11/42/1024421142.db2.gz CLPKALLOLJLIAH-ZIFCJYIRSA-N 2 0 300.490 3.653 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000453275521 1024449845 /nfs/dbraw/zinc/44/98/45/1024449845.db2.gz YMNPLKYSNUFPKY-CUDHKJQZSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)C1 ZINC000453346494 1024474025 /nfs/dbraw/zinc/47/40/25/1024474025.db2.gz FLLXTBZOUBHOSR-MISYRCLQSA-N 2 0 320.521 3.532 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)n1c2ccccc2c2c1CC[NH2+]C2 ZINC001167824192 1024480532 /nfs/dbraw/zinc/48/05/32/1024480532.db2.gz CNPNZISQNZOGFF-MRXNPFEDSA-N 2 0 313.489 3.970 20 0 DHADRP CC[C@@H](O)[C@@H](CC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453358165 1024480662 /nfs/dbraw/zinc/48/06/62/1024480662.db2.gz JYUVDILTEQLWQD-NTFDOXNWSA-N 2 0 318.505 3.569 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663499285 1024487469 /nfs/dbraw/zinc/48/74/69/1024487469.db2.gz IDGHWXRHFKKQFW-LJQANCHMSA-N 2 0 312.457 3.825 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000271335101 1024491485 /nfs/dbraw/zinc/49/14/85/1024491485.db2.gz BCYVGBKGODOYAR-BQFCYCMXSA-N 2 0 303.494 3.799 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000271353793 1024493448 /nfs/dbraw/zinc/49/34/48/1024493448.db2.gz DNEQXVDOEDMGHJ-KRWDZBQOSA-N 2 0 309.457 3.837 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000453398264 1024497152 /nfs/dbraw/zinc/49/71/52/1024497152.db2.gz KKWUZHHZVJNXHJ-HXUWFJFHSA-N 2 0 300.490 3.780 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000453405245 1024502570 /nfs/dbraw/zinc/50/25/70/1024502570.db2.gz QESPQYYSZFZJMQ-RBUKOAKNSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]1CC[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)O1 ZINC000453413353 1024506575 /nfs/dbraw/zinc/50/65/75/1024506575.db2.gz RQYDUMZPSQBGJZ-ACAXCVFMSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453411385 1024506631 /nfs/dbraw/zinc/50/66/31/1024506631.db2.gz VMTNAZZSWCKJBX-LJQANCHMSA-N 2 0 306.469 3.857 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCCOc2cc(F)ccc21)C1CC1 ZINC000453415056 1024508124 /nfs/dbraw/zinc/50/81/24/1024508124.db2.gz XAAYFHVWHAMFGA-QGZVFWFLSA-N 2 0 306.425 3.503 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000453415031 1024508784 /nfs/dbraw/zinc/50/87/84/1024508784.db2.gz WYXGSMHXTTVDDU-UYAOXDASSA-N 2 0 300.490 3.961 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001167827223 1024509319 /nfs/dbraw/zinc/50/93/19/1024509319.db2.gz UVTUBDZIXWNDAM-PKOBYXMFSA-N 2 0 304.478 3.570 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453395326 1024511579 /nfs/dbraw/zinc/51/15/79/1024511579.db2.gz HSXNRHNJCNJWMH-HOTGVXAUSA-N 2 0 304.478 3.651 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001167827512 1024513409 /nfs/dbraw/zinc/51/34/09/1024513409.db2.gz XBEHIXFFEIMKHH-HKUYNNGSSA-N 2 0 303.494 3.599 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)COC2 ZINC000271479590 1024517713 /nfs/dbraw/zinc/51/77/13/1024517713.db2.gz NBLOJSCQFNZNOH-CQSZACIVSA-N 2 0 302.462 3.630 20 0 DHADRP Brc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522341 1024517954 /nfs/dbraw/zinc/51/79/54/1024517954.db2.gz LWUCEOUBXOGUHO-GDBMZVCRSA-N 2 0 323.278 3.558 20 0 DHADRP Cc1cc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)ccc1F ZINC000271501001 1024524088 /nfs/dbraw/zinc/52/40/88/1024524088.db2.gz MCTNYFMVMHYCHJ-YQVWRLOYSA-N 2 0 302.437 3.802 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001172466847 1033217054 /nfs/dbraw/zinc/21/70/54/1033217054.db2.gz GUCDABDVWZBAOR-GOSISDBHSA-N 2 0 324.553 3.929 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000453594374 1024535050 /nfs/dbraw/zinc/53/50/50/1024535050.db2.gz IIVHFROGNYZBAM-UHFFFAOYSA-N 2 0 301.261 3.957 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ncc(-c2ccccc2)s1)C1CC1 ZINC000453597914 1024537665 /nfs/dbraw/zinc/53/76/65/1024537665.db2.gz ORKJHJQAMRKSDH-UHFFFAOYSA-N 2 0 315.486 3.774 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536328 1024538127 /nfs/dbraw/zinc/53/81/27/1024538127.db2.gz SXHYKOATXAHZBN-DLBZAZTESA-N 2 0 304.503 3.535 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000453592857 1024546557 /nfs/dbraw/zinc/54/65/57/1024546557.db2.gz FPNRJZORHLLUDW-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP C[N@H+](CCCC[NH2+]CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000453604245 1024550674 /nfs/dbraw/zinc/55/06/74/1024550674.db2.gz YJBIPLULNASCGB-UHFFFAOYSA-N 2 0 306.416 3.819 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000532235528 1024586588 /nfs/dbraw/zinc/58/65/88/1024586588.db2.gz UGJCRKAPRCRTJQ-TXPKVOOTSA-N 2 0 302.506 3.845 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000532267560 1024591155 /nfs/dbraw/zinc/59/11/55/1024591155.db2.gz BVPROANVQAGBLU-UHFFFAOYSA-N 2 0 300.446 3.985 20 0 DHADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438389 1024643635 /nfs/dbraw/zinc/64/36/35/1024643635.db2.gz ACVGJPCVIGDJPN-FXAWDEMLSA-N 2 0 312.457 3.712 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(C4CCC4)s3)C2)CC1 ZINC000349127031 1024678394 /nfs/dbraw/zinc/67/83/94/1024678394.db2.gz HPQPAAYWLSMPMU-INIZCTEOSA-N 2 0 319.518 3.574 20 0 DHADRP Cc1ccc2cc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc2n1 ZINC000349149040 1024680925 /nfs/dbraw/zinc/68/09/25/1024680925.db2.gz KVXLBJBZFOYHLR-HXUWFJFHSA-N 2 0 323.484 3.707 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCSc2ccccc21)C[NH+]1CCCCC1 ZINC000038041685 1024717283 /nfs/dbraw/zinc/71/72/83/1024717283.db2.gz VKRICGSCJLXRIS-NVXWUHKLSA-N 2 0 304.503 3.935 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2Cl)[C@H](C)C1 ZINC001170267054 1024719133 /nfs/dbraw/zinc/71/91/33/1024719133.db2.gz TXQQXSRLVRMNAB-IIDMSEBBSA-N 2 0 308.897 3.979 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001168163622 1024733045 /nfs/dbraw/zinc/73/30/45/1024733045.db2.gz ARLXEZBXQJHEGO-CQSZACIVSA-N 2 0 306.881 3.864 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349631970 1024734585 /nfs/dbraw/zinc/73/45/85/1024734585.db2.gz PNBDUSIKTGYKKM-CHWSQXEVSA-N 2 0 315.914 3.644 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666172112 1024748282 /nfs/dbraw/zinc/74/82/82/1024748282.db2.gz BQOUNJXOTQAPCG-ZBFHGGJFSA-N 2 0 306.881 3.519 20 0 DHADRP C[N@@H+](Cc1ccc(Cl)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350272626 1024800894 /nfs/dbraw/zinc/80/08/94/1024800894.db2.gz YOBCBLJVFLYCDC-UHFFFAOYSA-N 2 0 319.836 3.676 20 0 DHADRP CC[NH+]1CCC(CC2CC[NH+](CCC3CCOCC3)CC2)CC1 ZINC001202668409 1024806304 /nfs/dbraw/zinc/80/63/04/1024806304.db2.gz KFOJLHLVXYBXFZ-UHFFFAOYSA-N 2 0 322.537 3.637 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666239422 1024825182 /nfs/dbraw/zinc/82/51/82/1024825182.db2.gz JPUMKSUTWUQASM-HOCLYGCPSA-N 2 0 306.881 3.517 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000319847516 1024832799 /nfs/dbraw/zinc/83/27/99/1024832799.db2.gz MYSAJCVFBGBTFA-HXUWFJFHSA-N 2 0 316.489 3.927 20 0 DHADRP CCCCCC[C@@H](CCCC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172517115 1033240053 /nfs/dbraw/zinc/24/00/53/1033240053.db2.gz OCHUIJXNIJVULK-LJQANCHMSA-N 2 0 312.542 3.810 20 0 DHADRP C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cc(Br)cs1 ZINC000226394431 1024882205 /nfs/dbraw/zinc/88/22/05/1024882205.db2.gz DBDBBARMTUWSFZ-UWVGGRQHSA-N 2 0 305.285 3.501 20 0 DHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172549980 1033243387 /nfs/dbraw/zinc/24/33/87/1033243387.db2.gz SAEYBMLNPYELHZ-CGXNFDGLSA-N 2 0 312.501 3.986 20 0 DHADRP CC1(C)CC([NH2+]Cc2ccc(OC(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000061003138 1024967148 /nfs/dbraw/zinc/96/71/48/1024967148.db2.gz RFWWKENKJPTJRI-UHFFFAOYSA-N 2 0 312.404 3.687 20 0 DHADRP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC000666341805 1024984615 /nfs/dbraw/zinc/98/46/15/1024984615.db2.gz QZJXEORIZBJUGT-KRWDZBQOSA-N 2 0 312.501 3.788 20 0 DHADRP CC1(Nc2ccc3c(c2)ncn3-c2ccccc2)CC[NH2+]CC1 ZINC001168186110 1025004043 /nfs/dbraw/zinc/00/40/43/1025004043.db2.gz SBKPLRICYLKQSD-UHFFFAOYSA-N 2 0 306.413 3.580 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC(n2ccnc2)CC1 ZINC001168186635 1025012221 /nfs/dbraw/zinc/01/22/21/1025012221.db2.gz CAWPXQSUWLIAJF-AWEZNQCLSA-N 2 0 303.837 3.805 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000539051690 1033256092 /nfs/dbraw/zinc/25/60/92/1033256092.db2.gz AQZKJAURWMHDMM-DNVCBOLYSA-N 2 0 304.453 3.771 20 0 DHADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCC[NH+](C)C ZINC001172564011 1033258451 /nfs/dbraw/zinc/25/84/51/1033258451.db2.gz ASTUAZHLTIEHRU-LBPRGKRZSA-N 2 0 318.839 3.871 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353513078 1025101610 /nfs/dbraw/zinc/10/16/10/1025101610.db2.gz DXKNTNNDUFQQNF-IUODEOHRSA-N 2 0 318.383 3.966 20 0 DHADRP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663780735 1025150538 /nfs/dbraw/zinc/15/05/38/1025150538.db2.gz WLRJVMLJKNBDIQ-NVXWUHKLSA-N 2 0 320.440 3.885 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000539069360 1033265577 /nfs/dbraw/zinc/26/55/77/1033265577.db2.gz YXYLUZLIOXHGFV-HOCLYGCPSA-N 2 0 310.869 3.571 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000353633852 1025168161 /nfs/dbraw/zinc/16/81/61/1025168161.db2.gz UHOATLFCLXAWPX-WQUXRXDGSA-N 2 0 316.489 3.617 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000539068948 1033264916 /nfs/dbraw/zinc/26/49/16/1033264916.db2.gz JSKFPISROGADAB-YJBOKZPZSA-N 2 0 324.896 3.819 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924682751 1033265056 /nfs/dbraw/zinc/26/50/56/1033265056.db2.gz DKSXCMIIZNFWEL-BWPNAZKDSA-N 2 0 322.537 3.539 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000279735083 1025204017 /nfs/dbraw/zinc/20/40/17/1025204017.db2.gz ODICOMVWNHJVCK-RHSMWYFYSA-N 2 0 304.478 3.661 20 0 DHADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539071935 1033269382 /nfs/dbraw/zinc/26/93/82/1033269382.db2.gz FWPQEHHLDKFDHL-FCGDIQPGSA-N 2 0 310.526 3.680 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000044517579 1025256105 /nfs/dbraw/zinc/25/61/05/1025256105.db2.gz XPDFIGCFAUVBDQ-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP c1ccc(CCN2CCC([NH2+]C[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000236736649 1025293158 /nfs/dbraw/zinc/29/31/58/1025293158.db2.gz NGTXASOFHAJGCQ-FQEVSTJZSA-N 2 0 320.480 3.623 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCC1 ZINC000353945799 1025301198 /nfs/dbraw/zinc/30/11/98/1025301198.db2.gz RSPFSXQHPXXNDZ-IXDOHACOSA-N 2 0 316.489 3.574 20 0 DHADRP CC1CCC([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168206364 1025320764 /nfs/dbraw/zinc/32/07/64/1025320764.db2.gz QNBONAJCXMYOGJ-PSYANXERSA-N 2 0 301.478 3.732 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000236797053 1025322801 /nfs/dbraw/zinc/32/28/01/1025322801.db2.gz DHDMDANWBSCQEQ-LJQANCHMSA-N 2 0 302.462 3.610 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000354026195 1025324595 /nfs/dbraw/zinc/32/45/95/1025324595.db2.gz PGVJGWPEZLRYGC-UHFFFAOYSA-N 2 0 324.534 3.688 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000124365188 1025337003 /nfs/dbraw/zinc/33/70/03/1025337003.db2.gz MJUMKVCHDUGLRD-CHWSQXEVSA-N 2 0 312.379 3.840 20 0 DHADRP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)CC1CC[NH+](C)CC1 ZINC000093089112 1025351336 /nfs/dbraw/zinc/35/13/36/1025351336.db2.gz MQJJMUJGYVSQEH-UHFFFAOYSA-N 2 0 318.358 3.618 20 0 DHADRP CCCC[C@H](CC)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000438095982 1025370957 /nfs/dbraw/zinc/37/09/57/1025370957.db2.gz IHZQLCJDCNUQHB-VQTJNVASSA-N 2 0 323.569 3.695 20 0 DHADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354178125 1025375651 /nfs/dbraw/zinc/37/56/51/1025375651.db2.gz UYPJQQDWKBZNJF-FQEVSTJZSA-N 2 0 312.457 3.913 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875481 1025398615 /nfs/dbraw/zinc/39/86/15/1025398615.db2.gz IGBINEAHAFCCLK-VKJFTORMSA-N 2 0 302.462 3.741 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000886012721 1025438647 /nfs/dbraw/zinc/43/86/47/1025438647.db2.gz NLPSNCQROGQTFI-RTBURBONSA-N 2 0 310.526 3.682 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000886043528 1025449766 /nfs/dbraw/zinc/44/97/66/1025449766.db2.gz DNBMNFOYHBZFBS-DCCYDQLOSA-N 2 0 322.537 3.967 20 0 DHADRP C(=C/C[N@@H+]1CCC[C@H]1c1ccc[nH]1)\C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000125391612 1025471538 /nfs/dbraw/zinc/47/15/38/1025471538.db2.gz SIOIDDLIPIIKAN-FWDLARJDSA-N 2 0 324.472 3.873 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000125574513 1025484933 /nfs/dbraw/zinc/48/49/33/1025484933.db2.gz VJEHUEPGKKBZPH-KBPBESRZSA-N 2 0 309.523 3.787 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125780671 1025492017 /nfs/dbraw/zinc/49/20/17/1025492017.db2.gz MPZOIPNHJVZVMO-IEBWSBKVSA-N 2 0 316.489 3.919 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CCC2 ZINC000125968687 1025498341 /nfs/dbraw/zinc/49/83/41/1025498341.db2.gz PSYIZCQQEGTUAS-LSDHHAIUSA-N 2 0 309.523 3.785 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886176594 1025547988 /nfs/dbraw/zinc/54/79/88/1025547988.db2.gz GWYSGAXSIKPKAK-LJQANCHMSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924685807 1033291709 /nfs/dbraw/zinc/29/17/09/1033291709.db2.gz QIIJCDNOUDYZDQ-VWYCLODISA-N 2 0 322.537 3.682 20 0 DHADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172579457 1033294125 /nfs/dbraw/zinc/29/41/25/1033294125.db2.gz WKYKHGITXIIZRA-WXHSDQCUSA-N 2 0 316.823 3.799 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C(F)F)CC3)CC2)C1 ZINC000355173752 1025625615 /nfs/dbraw/zinc/62/56/15/1025625615.db2.gz YVSDCUCDTMRLOZ-UKRRQHHQSA-N 2 0 300.437 3.664 20 0 DHADRP c1cnc2c(c1)CC[C@H]2[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000886522003 1025674476 /nfs/dbraw/zinc/67/44/76/1025674476.db2.gz ABFTZEJRBOXIQT-GOSISDBHSA-N 2 0 301.478 3.705 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886524557 1025677394 /nfs/dbraw/zinc/67/73/94/1025677394.db2.gz MJXMOFNGNAAVCQ-FZKQIMNGSA-N 2 0 315.436 3.616 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)CC[N@@H+]1C ZINC000886533092 1025681532 /nfs/dbraw/zinc/68/15/32/1025681532.db2.gz USYQNDIPOITKNB-RVZJWNSFSA-N 2 0 315.436 3.757 20 0 DHADRP CCc1noc(CC)c1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886538225 1025688439 /nfs/dbraw/zinc/68/84/39/1025688439.db2.gz DIJGVRSCIHNBME-UHFFFAOYSA-N 2 0 319.493 3.686 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886543648 1025689861 /nfs/dbraw/zinc/68/98/61/1025689861.db2.gz RYEPGHVSJPGGRJ-CXUOOODFSA-N 2 0 308.510 3.577 20 0 DHADRP CCOCCC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000886552185 1025698599 /nfs/dbraw/zinc/69/85/99/1025698599.db2.gz WAQADNOKQLMKFN-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000886607223 1025733051 /nfs/dbraw/zinc/73/30/51/1025733051.db2.gz MTPBXBBWEIPNMD-XBMUEBEBSA-N 2 0 320.521 3.722 20 0 DHADRP Cc1ccc(NC(=[NH2+])SCC[NH3+])cc1OCc1ccccc1 ZINC001167914926 1025741045 /nfs/dbraw/zinc/74/10/45/1025741045.db2.gz BNNIVWXCJZTIMJ-UHFFFAOYSA-N 2 0 315.442 3.613 20 0 DHADRP COCc1csc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886638076 1025753541 /nfs/dbraw/zinc/75/35/41/1025753541.db2.gz LFGICDNINWQQNB-UHFFFAOYSA-N 2 0 322.518 3.781 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886646446 1025757974 /nfs/dbraw/zinc/75/79/74/1025757974.db2.gz JLBOIGBFSXXVMN-UHFFFAOYSA-N 3 0 321.553 3.636 20 0 DHADRP CC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC(F)(F)C1 ZINC000886649696 1025759630 /nfs/dbraw/zinc/75/96/30/1025759630.db2.gz GONBPWXWMOXYII-UHFFFAOYSA-N 2 0 300.437 3.809 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000886649828 1025760365 /nfs/dbraw/zinc/76/03/65/1025760365.db2.gz JTLPDJFHJBZLCW-UHFFFAOYSA-N 2 0 313.898 3.683 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806131741 1025776315 /nfs/dbraw/zinc/77/63/15/1025776315.db2.gz MHQYEPJKCPHQSR-HOCLYGCPSA-N 2 0 321.896 3.967 20 0 DHADRP C[C@@H]1C[NH+](CCCC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000575790262 1025795596 /nfs/dbraw/zinc/79/55/96/1025795596.db2.gz VVCJUALVBYAEQQ-OKILXGFUSA-N 2 0 324.406 3.721 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167915818 1025809199 /nfs/dbraw/zinc/80/91/99/1025809199.db2.gz DNDBRPVQIPYRMC-FBPKSFCNSA-N 2 0 302.437 3.696 20 0 DHADRP CCSCC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000355733377 1025824987 /nfs/dbraw/zinc/82/49/87/1025824987.db2.gz KQAMWLWAQZOODI-INIZCTEOSA-N 2 0 306.519 3.761 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000536629778 1025896615 /nfs/dbraw/zinc/89/66/15/1025896615.db2.gz GWPLIDSCCQZMQD-UHFFFAOYSA-N 2 0 321.534 3.964 20 0 DHADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000356122419 1025953327 /nfs/dbraw/zinc/95/33/27/1025953327.db2.gz HANFIBWKKLIIKI-HKUYNNGSSA-N 2 0 320.521 3.556 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]CC2(SC)CCC2)c1 ZINC000356172818 1025971677 /nfs/dbraw/zinc/97/16/77/1025971677.db2.gz DYIXMHVFRMIDNL-UHFFFAOYSA-N 2 0 306.519 3.904 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000356297220 1026012083 /nfs/dbraw/zinc/01/20/83/1026012083.db2.gz BKAHWKMOKQMFBQ-IEBWSBKVSA-N 2 0 318.505 3.549 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCc2cncs2)CC1 ZINC000411508928 1026041383 /nfs/dbraw/zinc/04/13/83/1026041383.db2.gz VNCUXMIMWFMOEO-UHFFFAOYSA-N 2 0 309.523 3.520 20 0 DHADRP CCCn1ccnc1CCCN(C)Cc1cc(C(C)(C)C)on1 ZINC000289630725 1026107012 /nfs/dbraw/zinc/10/70/12/1026107012.db2.gz VXJZENLNIFBAMZ-UHFFFAOYSA-N 2 0 318.465 3.643 20 0 DHADRP C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC000245659126 1026116010 /nfs/dbraw/zinc/11/60/10/1026116010.db2.gz FFKMSHBGOZOKCJ-LRGNLBRXSA-N 2 0 321.468 3.928 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000093770459 1026127394 /nfs/dbraw/zinc/12/73/94/1026127394.db2.gz RXCVBEDITBLVIM-SFHVURJKSA-N 2 0 309.457 3.522 20 0 DHADRP C[N@H+](Cc1ccc(OCC2CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289731818 1026149200 /nfs/dbraw/zinc/14/92/00/1026149200.db2.gz PVBXQYAPFHQXAB-DFNIBXOVSA-N 2 0 314.473 3.532 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894164583 1026236881 /nfs/dbraw/zinc/23/68/81/1026236881.db2.gz FDNHUHMTJTZUJD-UHFFFAOYSA-N 2 0 311.882 3.770 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2nccc3ccccc32)C1 ZINC000894179460 1026329667 /nfs/dbraw/zinc/32/96/67/1026329667.db2.gz CLEGDVUTZBQRFO-QGZVFWFLSA-N 2 0 311.473 3.837 20 0 DHADRP CCCCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)C ZINC000808692554 1026349874 /nfs/dbraw/zinc/34/98/74/1026349874.db2.gz RACRTQRZDAMHIH-SFHVURJKSA-N 2 0 311.558 3.599 20 0 DHADRP CCCCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000808719012 1026367700 /nfs/dbraw/zinc/36/77/00/1026367700.db2.gz RZVWFOOKQWGBKQ-QGZVFWFLSA-N 2 0 311.558 3.597 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000430143704 1026468461 /nfs/dbraw/zinc/46/84/61/1026468461.db2.gz XTVAMOXAYWGCDZ-SJLPKXTDSA-N 2 0 310.526 3.824 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000513335401 1026481385 /nfs/dbraw/zinc/48/13/85/1026481385.db2.gz OVNONIQQTPGVLJ-DBVUQKKJSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]1C[C@@H](CC[NH2+]C2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000513545755 1026538185 /nfs/dbraw/zinc/53/81/85/1026538185.db2.gz SIVWPMWQONCIQJ-FUHWJXTLSA-N 2 0 318.530 3.772 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000513656536 1026551374 /nfs/dbraw/zinc/55/13/74/1026551374.db2.gz UVXAFUJZCYACAO-PCCBWWKXSA-N 2 0 324.468 3.681 20 0 DHADRP COc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1C ZINC000809738608 1026609886 /nfs/dbraw/zinc/60/98/86/1026609886.db2.gz BKEBCBGNJWCQCD-UHFFFAOYSA-N 2 0 312.457 3.697 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1cc2cccc(OC)c2o1 ZINC000809754496 1026615984 /nfs/dbraw/zinc/61/59/84/1026615984.db2.gz ANWNWHWPCVPKRA-UHFFFAOYSA-N 2 0 304.434 3.605 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000513691825 1026634826 /nfs/dbraw/zinc/63/48/26/1026634826.db2.gz WJPPQTHGNYLKHV-SQNIBIBYSA-N 2 0 322.493 3.770 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nccc3ccccc32)c1 ZINC000894242078 1026680811 /nfs/dbraw/zinc/68/08/11/1026680811.db2.gz RTDJDLGUDTUSEJ-UHFFFAOYSA-N 2 0 319.452 3.976 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000280758965 1026704993 /nfs/dbraw/zinc/70/49/93/1026704993.db2.gz FGWUBDXRVPXPIT-UONOGXRCSA-N 2 0 314.395 3.568 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000280758969 1026705949 /nfs/dbraw/zinc/70/59/49/1026705949.db2.gz FGWUBDXRVPXPIT-ZIAGYGMSSA-N 2 0 314.395 3.568 20 0 DHADRP Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420229175 1026790655 /nfs/dbraw/zinc/79/06/55/1026790655.db2.gz NAORDQPYCFFIBO-SFHVURJKSA-N 2 0 315.848 3.695 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420300341 1026800335 /nfs/dbraw/zinc/80/03/35/1026800335.db2.gz KCFGSQLTTHIOIK-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cc1 ZINC000420302056 1026800600 /nfs/dbraw/zinc/80/06/00/1026800600.db2.gz LXEWDXQHJCYCTD-FFZOFVMBSA-N 2 0 324.468 3.616 20 0 DHADRP Fc1ccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000420305242 1026800636 /nfs/dbraw/zinc/80/06/36/1026800636.db2.gz PFBCRFWHZSJLKM-QGZVFWFLSA-N 2 0 304.453 3.612 20 0 DHADRP CC(C)CCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420321021 1026803081 /nfs/dbraw/zinc/80/30/81/1026803081.db2.gz CDBNAIZHISJEOB-CVEARBPZSA-N 2 0 321.534 3.553 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000420321327 1026803724 /nfs/dbraw/zinc/80/37/24/1026803724.db2.gz RGUQWRBBGHGSJM-RHSMWYFYSA-N 2 0 316.420 3.570 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331400 1026806199 /nfs/dbraw/zinc/80/61/99/1026806199.db2.gz QSVXZOPPLHNWMW-BMFZPTHFSA-N 2 0 324.415 3.671 20 0 DHADRP Cc1occc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000414452434 1026806327 /nfs/dbraw/zinc/80/63/27/1026806327.db2.gz LCXARALNBFQQIN-PMACEKPBSA-N 2 0 310.441 3.542 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000420326279 1026807096 /nfs/dbraw/zinc/80/70/96/1026807096.db2.gz XCBREOVPSHPQDZ-TZIWHRDSSA-N 2 0 324.468 3.883 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](c2ccccc2)C(C)C)cc1 ZINC000420377522 1026808144 /nfs/dbraw/zinc/80/81/44/1026808144.db2.gz SFEXIMUWDCKUGR-ICSRJNTNSA-N 2 0 312.457 3.724 20 0 DHADRP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CCC[NH3+])c1 ZINC000420372641 1026808286 /nfs/dbraw/zinc/80/82/86/1026808286.db2.gz LQERSDDCDVCOFH-PMACEKPBSA-N 2 0 310.441 3.575 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(N)c2)CC1)CC(C)C ZINC000420366201 1026808386 /nfs/dbraw/zinc/80/83/86/1026808386.db2.gz FUIUPAHLILWQPK-UHFFFAOYSA-N 2 0 317.521 3.849 20 0 DHADRP COc1cc2c(NC3CCC([NH+](C)C)CC3)cc[nH+]c2cc1F ZINC000420629009 1026845443 /nfs/dbraw/zinc/84/54/43/1026845443.db2.gz QINDUGOIGFQYRY-UHFFFAOYSA-N 2 0 317.408 3.667 20 0 DHADRP Cc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(F)c1F ZINC001137971583 1026906026 /nfs/dbraw/zinc/90/60/26/1026906026.db2.gz ZMOZGPBPWJWBPQ-UHFFFAOYSA-N 2 0 308.416 3.581 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc(C3CC3)c2)c1 ZINC000421337342 1026961158 /nfs/dbraw/zinc/96/11/58/1026961158.db2.gz YSHRUXFALZXBOE-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000811478487 1027016817 /nfs/dbraw/zinc/01/68/17/1027016817.db2.gz IYJWLEDKOFBDJK-UHFFFAOYSA-N 2 0 316.276 3.600 20 0 DHADRP FC(F)C1CC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000811518983 1027020407 /nfs/dbraw/zinc/02/04/07/1027020407.db2.gz UJFFMTUCHVCPGB-AOCRQIFASA-N 2 0 322.443 3.922 20 0 DHADRP CCSCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000571288869 1027114636 /nfs/dbraw/zinc/11/46/36/1027114636.db2.gz JECHLAKJETZMIS-HNNXBMFYSA-N 2 0 312.548 3.563 20 0 DHADRP CSC1(C[NH2+][C@H](c2ccccc2)C(C)C)CC[NH+](C)CC1 ZINC000571963878 1027161232 /nfs/dbraw/zinc/16/12/32/1027161232.db2.gz UYYJKABUHPDXDO-KRWDZBQOSA-N 2 0 306.519 3.801 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](CNCc2csc(Cl)c2Cl)C1 ZINC000572167177 1027177317 /nfs/dbraw/zinc/17/73/17/1027177317.db2.gz UBZSYYIJNCSKML-JTQLQIEISA-N 2 0 307.290 3.875 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170660177 1027177784 /nfs/dbraw/zinc/17/77/84/1027177784.db2.gz UFVGFAXQBVSJIV-INIZCTEOSA-N 2 0 310.432 3.534 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000562019432 1027184461 /nfs/dbraw/zinc/18/44/61/1027184461.db2.gz KADSAGSNIHAISU-RTBURBONSA-N 2 0 316.489 3.685 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663543 1027189855 /nfs/dbraw/zinc/18/98/55/1027189855.db2.gz FBISSFWKCGRGNS-PBHICJAKSA-N 2 0 324.459 3.922 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2nccc3ccccc32)ccc1F ZINC000894268333 1027238177 /nfs/dbraw/zinc/23/81/77/1027238177.db2.gz DGNAICOQPBCYFA-UHFFFAOYSA-N 2 0 323.415 3.725 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000572989790 1027251104 /nfs/dbraw/zinc/25/11/04/1027251104.db2.gz MUBAIXJNIZOVSN-IINYFYTJSA-N 2 0 321.877 3.902 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cccn2CCC(C)C)C1 ZINC000573347034 1027284334 /nfs/dbraw/zinc/28/43/34/1027284334.db2.gz MCKCRVZJVUVFHG-GOSISDBHSA-N 2 0 305.510 3.698 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000422702031 1027297331 /nfs/dbraw/zinc/29/73/31/1027297331.db2.gz JWHJHTXMIUOMSC-CQSZACIVSA-N 2 0 305.425 3.853 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422698266 1027297968 /nfs/dbraw/zinc/29/79/68/1027297968.db2.gz YKLVAMGDICPZLF-PZJWPPBQSA-N 2 0 322.452 3.649 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC000422713204 1027301579 /nfs/dbraw/zinc/30/15/79/1027301579.db2.gz PMDGCJQYLNBYOQ-MAUKXSAKSA-N 2 0 318.461 3.782 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422735980 1027303654 /nfs/dbraw/zinc/30/36/54/1027303654.db2.gz VJYOKIMHDITXLW-MLGOLLRUSA-N 2 0 312.860 3.734 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422723245 1027305055 /nfs/dbraw/zinc/30/50/55/1027305055.db2.gz QOLSCBLYTUAPFS-GPMSIDNRSA-N 2 0 304.478 3.525 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCOCCc2ccccc2)c2ccccc21 ZINC000422724283 1027305270 /nfs/dbraw/zinc/30/52/70/1027305270.db2.gz VGDGYSXSDXVPPO-LEWJYISDSA-N 2 0 324.468 3.760 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422759561 1027307842 /nfs/dbraw/zinc/30/78/42/1027307842.db2.gz PMTLBQYRSNHOLH-UWJYYQICSA-N 2 0 308.469 3.796 20 0 DHADRP Cc1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000295518405 1027314005 /nfs/dbraw/zinc/31/40/05/1027314005.db2.gz VKWXALCLBKJACQ-UHFFFAOYSA-N 2 0 313.420 3.535 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772411 1027314800 /nfs/dbraw/zinc/31/48/00/1027314800.db2.gz YHZCYICHDMIJSB-YEWWUXTCSA-N 2 0 314.454 3.655 20 0 DHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422769683 1027315603 /nfs/dbraw/zinc/31/56/03/1027315603.db2.gz WAJVWABBAYROTD-RHQZKXFESA-N 2 0 322.537 3.728 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000422787551 1027321463 /nfs/dbraw/zinc/32/14/63/1027321463.db2.gz RNYDKMOPANCOOB-HNAYVOBHSA-N 2 0 300.421 3.827 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]C3CCC(C[NH3+])CC3)oc21 ZINC000422786504 1027322696 /nfs/dbraw/zinc/32/26/96/1027322696.db2.gz PCZKYARNZWZOPT-VQCLRJIVSA-N 2 0 316.445 4.000 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422761592 1027324791 /nfs/dbraw/zinc/32/47/91/1027324791.db2.gz MZITZWXTCNCDOS-MSOLQXFVSA-N 2 0 300.471 3.542 20 0 DHADRP Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422802488 1027326441 /nfs/dbraw/zinc/32/64/41/1027326441.db2.gz DHTYAPMQESWWBV-XUUQEUKMSA-N 2 0 316.489 3.570 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)ccc1OC(C)C ZINC000422803021 1027326775 /nfs/dbraw/zinc/32/67/75/1027326775.db2.gz CGTVJEIIEFEPRJ-HPUBIQBYSA-N 2 0 320.477 3.651 20 0 DHADRP C[C@H](CC[NH2+][C@@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422808355 1027329746 /nfs/dbraw/zinc/32/97/46/1027329746.db2.gz KWSLRPGJYWPKHD-OLZOCXBDSA-N 2 0 302.384 3.916 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422789500 1027329821 /nfs/dbraw/zinc/32/98/21/1027329821.db2.gz WXZUPYLHUTXEHU-ZJOUEHCJSA-N 2 0 322.452 3.983 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCC[NH2+]CC3)oc21 ZINC000422789961 1027330680 /nfs/dbraw/zinc/33/06/80/1027330680.db2.gz STOIISFIEGDUBV-ZFWWWQNUSA-N 2 0 302.418 3.624 20 0 DHADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000422825199 1027333706 /nfs/dbraw/zinc/33/37/06/1027333706.db2.gz PGPQRHXUJXSHNP-PMACEKPBSA-N 2 0 313.489 3.518 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000422833363 1027334645 /nfs/dbraw/zinc/33/46/45/1027334645.db2.gz GOIQYGOEJXCRDK-ACRUOGEOSA-N 2 0 308.469 3.730 20 0 DHADRP Cc1cccc(COc2ccc(C[NH2+][C@@H](C)CCC[NH3+])cc2)c1 ZINC000422841212 1027339137 /nfs/dbraw/zinc/33/91/37/1027339137.db2.gz CQBAECXWYGXZRC-KRWDZBQOSA-N 2 0 312.457 3.791 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422865226 1027341425 /nfs/dbraw/zinc/34/14/25/1027341425.db2.gz OMYRNWWYKPYYSV-KZNAEPCWSA-N 2 0 322.493 3.699 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422863315 1027344019 /nfs/dbraw/zinc/34/40/19/1027344019.db2.gz OOFACWVSVQUTGT-RTWAWAEBSA-N 2 0 323.484 3.761 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422867376 1027345423 /nfs/dbraw/zinc/34/54/23/1027345423.db2.gz SAVYANDYXKIRKQ-WIYYLYMNSA-N 2 0 324.468 3.620 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000422885217 1027351205 /nfs/dbraw/zinc/35/12/05/1027351205.db2.gz GKUKEVDDBKAQKB-UYAOXDASSA-N 2 0 305.425 3.835 20 0 DHADRP CC(C)c1ccc(C2(C[NH2+][C@H](C)C3C[NH2+]C3)CCCC2)cc1 ZINC000422886235 1027351307 /nfs/dbraw/zinc/35/13/07/1027351307.db2.gz IKHKAFUDLJSGQQ-MRXNPFEDSA-N 2 0 300.490 3.819 20 0 DHADRP Cc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(OCC(F)(F)F)c1 ZINC000422869951 1027353465 /nfs/dbraw/zinc/35/34/65/1027353465.db2.gz WXOJZJAFUFFCGC-ZDUSSCGKSA-N 2 0 318.383 3.543 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422870379 1027355294 /nfs/dbraw/zinc/35/52/94/1027355294.db2.gz YRCCWSWWFSNIQS-SFTDATJTSA-N 2 0 324.468 3.620 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422913933 1027356829 /nfs/dbraw/zinc/35/68/29/1027356829.db2.gz ZNPWPETXLNCMBQ-NEPJUHHUSA-N 2 0 302.384 3.698 20 0 DHADRP CC(C)C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422907219 1027358690 /nfs/dbraw/zinc/35/86/90/1027358690.db2.gz LCRNAVMVQAJMRB-BLLLJJGKSA-N 2 0 314.395 3.990 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422926072 1027361515 /nfs/dbraw/zinc/36/15/15/1027361515.db2.gz WCZGBGZDSRBYRJ-TXCZRRACSA-N 2 0 322.880 3.618 20 0 DHADRP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(Cl)c1 ZINC000422892581 1027361614 /nfs/dbraw/zinc/36/16/14/1027361614.db2.gz YTEABMDAJXKDJW-ZWKOTPCHSA-N 2 0 316.832 3.626 20 0 DHADRP C[C@@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422926822 1027365771 /nfs/dbraw/zinc/36/57/71/1027365771.db2.gz XOVMJIBDSOTDIN-MDZRGWNJSA-N 2 0 301.478 3.613 20 0 DHADRP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cc(F)cc(F)c1 ZINC000295639504 1027368022 /nfs/dbraw/zinc/36/80/22/1027368022.db2.gz IAZYJYADHASAFQ-UBBHGXQRSA-N 2 0 308.416 3.673 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422940381 1027369652 /nfs/dbraw/zinc/36/96/52/1027369652.db2.gz SSIJBHZAPAZTFS-WOJBJXKFSA-N 2 0 324.468 3.982 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000422940002 1027369858 /nfs/dbraw/zinc/36/98/58/1027369858.db2.gz MRQGIANOMLZWGH-NWDGAFQWSA-N 2 0 311.267 3.544 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422942982 1027369964 /nfs/dbraw/zinc/36/99/64/1027369964.db2.gz LBTHZISHANMNSK-OLJUDVMZSA-N 2 0 318.464 3.753 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1=CCCCC1 ZINC000422966123 1027372285 /nfs/dbraw/zinc/37/22/85/1027372285.db2.gz QRDSLGRNAZKGAB-QUCCMNQESA-N 2 0 312.457 3.722 20 0 DHADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422994511 1027384019 /nfs/dbraw/zinc/38/40/19/1027384019.db2.gz HXWVNNBKAFAIIE-LJDZDVQXSA-N 2 0 314.473 3.558 20 0 DHADRP Clc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422997415 1027388035 /nfs/dbraw/zinc/38/80/35/1027388035.db2.gz AXYYEHSPBLVOIJ-USXIJHARSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccncc1CCC[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000574434267 1027392924 /nfs/dbraw/zinc/39/29/24/1027392924.db2.gz BQBBBIWDMIXLRJ-UHFFFAOYSA-N 2 0 317.521 3.670 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000423045752 1027393158 /nfs/dbraw/zinc/39/31/58/1027393158.db2.gz CMBFSUPUIRNONR-GFCCVEGCSA-N 2 0 315.442 3.773 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423048901 1027394583 /nfs/dbraw/zinc/39/45/83/1027394583.db2.gz JJPFZXNEVMWNOP-NHCUHLMSSA-N 2 0 308.469 3.557 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423024135 1027394948 /nfs/dbraw/zinc/39/49/48/1027394948.db2.gz LBMRARBNAYUHHI-JKSUJKDBSA-N 2 0 310.844 3.760 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1)C1C[NH2+]C1 ZINC000423019718 1027395116 /nfs/dbraw/zinc/39/51/16/1027395116.db2.gz WVWHJSVCSFZKCD-LLVKDONJSA-N 2 0 313.272 3.613 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000574440818 1027395011 /nfs/dbraw/zinc/39/50/11/1027395011.db2.gz CUWZNXMESPAKGJ-HXUWFJFHSA-N 2 0 312.457 3.568 20 0 DHADRP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423020466 1027395386 /nfs/dbraw/zinc/39/53/86/1027395386.db2.gz BOJACNCSOMAFGY-RYUDHWBXSA-N 2 0 300.368 3.539 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H](C)c1ccccc1C(F)(F)F ZINC000423033208 1027396931 /nfs/dbraw/zinc/39/69/31/1027396931.db2.gz ZEGLZSHIXWESPT-WUHRBBMRSA-N 2 0 302.384 3.913 20 0 DHADRP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423033741 1027397476 /nfs/dbraw/zinc/39/74/76/1027397476.db2.gz ZVZHUANYAZULRC-JCGIZDLHSA-N 2 0 318.892 3.882 20 0 DHADRP COCCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423065243 1027403404 /nfs/dbraw/zinc/40/34/04/1027403404.db2.gz SYQMDCOMYQAWEX-QZTJIDSGSA-N 2 0 302.462 3.708 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423079369 1027409811 /nfs/dbraw/zinc/40/98/11/1027409811.db2.gz YFNMRWXUMSZEPB-JXFKEZNVSA-N 2 0 311.473 3.557 20 0 DHADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423091088 1027414266 /nfs/dbraw/zinc/41/42/66/1027414266.db2.gz ZFHLZDRDQSXAIV-QMMLZNLJSA-N 2 0 324.468 3.759 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423096943 1027414651 /nfs/dbraw/zinc/41/46/51/1027414651.db2.gz QBZBKLCJIOPREY-UXIGCNINSA-N 2 0 300.368 3.668 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099263 1027414869 /nfs/dbraw/zinc/41/48/69/1027414869.db2.gz LVAQDHAMANATJA-YCUKKYJWSA-N 2 0 310.844 3.975 20 0 DHADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423095199 1027415264 /nfs/dbraw/zinc/41/52/64/1027415264.db2.gz LPJAHDAOENMBJO-AUEKSGIPSA-N 2 0 320.427 3.721 20 0 DHADRP FC1(c2cccc(Cl)c2)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423098551 1027415409 /nfs/dbraw/zinc/41/54/09/1027415409.db2.gz SEGMSDAIRLVKCL-JJXSXHAKSA-N 2 0 308.828 3.540 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423098628 1027415657 /nfs/dbraw/zinc/41/56/57/1027415657.db2.gz CZLPPGYUVGWXJV-GXTWGEPZSA-N 2 0 300.899 3.831 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423100076 1027416905 /nfs/dbraw/zinc/41/69/05/1027416905.db2.gz GDZPKWKHFFTMBD-SZMVWBNQSA-N 2 0 322.880 3.525 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423101162 1027416987 /nfs/dbraw/zinc/41/69/87/1027416987.db2.gz COLBPOBTIBDFIT-CEXWTWQISA-N 2 0 318.530 3.950 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423128336 1027421300 /nfs/dbraw/zinc/42/13/00/1027421300.db2.gz VRYBLYAREPLQCN-MTFMMBMASA-N 2 0 316.489 3.807 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423126637 1027421623 /nfs/dbraw/zinc/42/16/23/1027421623.db2.gz SBFMFYDZNNZIBY-YRNRMSPPSA-N 2 0 312.457 3.694 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423124433 1027421956 /nfs/dbraw/zinc/42/19/56/1027421956.db2.gz MGKSXSXWZJILAM-YMTOWFKASA-N 2 0 322.321 3.591 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(Br)cc1F ZINC000423107934 1027424039 /nfs/dbraw/zinc/42/40/39/1027424039.db2.gz LQIFUOSLPZWGMC-WDEREUQCSA-N 2 0 317.246 3.756 20 0 DHADRP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423144970 1027429003 /nfs/dbraw/zinc/42/90/03/1027429003.db2.gz INKWRHGNSQOPDV-DSLXNQLJSA-N 2 0 302.437 3.713 20 0 DHADRP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000423111159 1027429611 /nfs/dbraw/zinc/42/96/11/1027429611.db2.gz VZOKRPVDIMGPOC-JKSUJKDBSA-N 2 0 312.379 3.683 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1CCCCCC1 ZINC000423150526 1027431844 /nfs/dbraw/zinc/43/18/44/1027431844.db2.gz IVOHZADCBQPXPU-UYAOXDASSA-N 2 0 314.473 3.802 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423148332 1027432033 /nfs/dbraw/zinc/43/20/33/1027432033.db2.gz VDJXGYFMBBAXDE-ORAYPTAESA-N 2 0 313.420 3.716 20 0 DHADRP [NH3+]C1CCC([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000423138086 1027435115 /nfs/dbraw/zinc/43/51/15/1027435115.db2.gz RZQOQMXZHLBBKB-YMAMQOFZSA-N 2 0 300.368 3.582 20 0 DHADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924960956 1027435253 /nfs/dbraw/zinc/43/52/53/1027435253.db2.gz UURWQNMGEIAUPV-RTBURBONSA-N 2 0 310.526 3.683 20 0 DHADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423160080 1027437790 /nfs/dbraw/zinc/43/77/90/1027437790.db2.gz GUJMOTKSKVZMPL-NBHGPNQESA-N 2 0 322.452 3.902 20 0 DHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000574945854 1027442858 /nfs/dbraw/zinc/44/28/58/1027442858.db2.gz DLLXDGACDBFJQI-SDNWHVSQSA-N 2 0 322.399 3.543 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000423206822 1027444533 /nfs/dbraw/zinc/44/45/33/1027444533.db2.gz CDALTFBPIIOXGO-JTTJXQCZSA-N 2 0 302.462 3.883 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000423214557 1027448123 /nfs/dbraw/zinc/44/81/23/1027448123.db2.gz PCMWCEZMRFXIQC-HZPDHXFCSA-N 2 0 324.896 3.785 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C(C)C)cc1 ZINC000575147306 1027458773 /nfs/dbraw/zinc/45/87/73/1027458773.db2.gz SFXQYEUXUYSXIN-ZIFCJYIRSA-N 2 0 304.478 3.855 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423220064 1027462694 /nfs/dbraw/zinc/46/26/94/1027462694.db2.gz XVKNVLYUKJFIIO-HECAZONMSA-N 2 0 316.489 3.552 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423223261 1027465879 /nfs/dbraw/zinc/46/58/79/1027465879.db2.gz FQRNYODDWLWQCC-SMDDNHRTSA-N 2 0 319.449 3.654 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000423252020 1027476039 /nfs/dbraw/zinc/47/60/39/1027476039.db2.gz SVPKHTJUNHELKO-CVEARBPZSA-N 2 0 320.477 3.524 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCS2 ZINC000423251680 1027476155 /nfs/dbraw/zinc/47/61/55/1027476155.db2.gz SIVBHTTXORHZAN-IUODEOHRSA-N 2 0 310.894 3.856 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423282392 1027477515 /nfs/dbraw/zinc/47/75/15/1027477515.db2.gz WMRJBLWKTAYWSY-NWDGAFQWSA-N 2 0 321.465 3.764 20 0 DHADRP CC[C@@H](N[C@H](C[NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000423258583 1027479171 /nfs/dbraw/zinc/47/91/71/1027479171.db2.gz CAEBNUWAMVWTLQ-GXTWGEPZSA-N 2 0 300.393 3.702 20 0 DHADRP CC[C@H]([NH2+][C@H](CN)CC(C)C)c1ccc(OC(F)F)cc1 ZINC000423259534 1027479573 /nfs/dbraw/zinc/47/95/73/1027479573.db2.gz FFHQHCXDSDZWDJ-ZFWWWQNUSA-N 2 0 300.393 3.702 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CC[C@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000423255124 1027479692 /nfs/dbraw/zinc/47/96/92/1027479692.db2.gz AVOOGXJLBOTKPI-LSDHHAIUSA-N 2 0 316.445 3.790 20 0 DHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423255905 1027479998 /nfs/dbraw/zinc/47/99/98/1027479998.db2.gz AXWRBFROVDXUIY-YXJHDRRASA-N 2 0 306.881 3.955 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423282224 1027482041 /nfs/dbraw/zinc/48/20/41/1027482041.db2.gz CLQWXHSMWQJTHT-NVXWUHKLSA-N 2 0 322.468 3.968 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423282803 1027483336 /nfs/dbraw/zinc/48/33/36/1027483336.db2.gz WHZJGBSEXXDQIJ-BZUAXINKSA-N 2 0 314.395 3.914 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423292685 1027485830 /nfs/dbraw/zinc/48/58/30/1027485830.db2.gz NYQVMMPZQMGULL-KBPBESRZSA-N 2 0 314.429 3.574 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cnn(C2CCCC2)c1 ZINC000423289426 1027485999 /nfs/dbraw/zinc/48/59/99/1027485999.db2.gz AVTGOHNEOIKMFH-LSDHHAIUSA-N 2 0 312.461 3.869 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423290830 1027487189 /nfs/dbraw/zinc/48/71/89/1027487189.db2.gz FPTNREMQGUBERI-BZUAXINKSA-N 2 0 312.457 3.997 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000423291829 1027487196 /nfs/dbraw/zinc/48/71/96/1027487196.db2.gz KAFXKJLBMKFAKR-FZKQIMNGSA-N 2 0 318.848 3.837 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(-n2ccnc2)cc1 ZINC000423293567 1027487362 /nfs/dbraw/zinc/48/73/62/1027487362.db2.gz RSZSYZWIEQIACV-JKSUJKDBSA-N 2 0 320.440 3.743 20 0 DHADRP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423267938 1027490140 /nfs/dbraw/zinc/49/01/40/1027490140.db2.gz UFVIDIPQSCLAGO-KRWDZBQOSA-N 2 0 311.558 3.629 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423273031 1027490163 /nfs/dbraw/zinc/49/01/63/1027490163.db2.gz KFBFNXQOZRWXIV-JTNHKYCSSA-N 2 0 319.276 3.722 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423274304 1027493284 /nfs/dbraw/zinc/49/32/84/1027493284.db2.gz LUSPTWGEGZAQNX-IRXDYDNUSA-N 2 0 312.457 3.772 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423279114 1027494049 /nfs/dbraw/zinc/49/40/49/1027494049.db2.gz RZYTUHHVAXNRRP-KRWDZBQOSA-N 3 0 323.569 3.645 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423278786 1027494532 /nfs/dbraw/zinc/49/45/32/1027494532.db2.gz RNOQDCFJEXFVPF-LSDHHAIUSA-N 2 0 315.486 3.850 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1Cl ZINC000423310690 1027495919 /nfs/dbraw/zinc/49/59/19/1027495919.db2.gz ASIXSALUUUCRGM-CXAGYDPISA-N 2 0 310.869 3.523 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423314660 1027497015 /nfs/dbraw/zinc/49/70/15/1027497015.db2.gz HLYHROHTIHAIRV-LSDHHAIUSA-N 2 0 300.368 3.729 20 0 DHADRP CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1C[NH2+]C1 ZINC000423302450 1027504692 /nfs/dbraw/zinc/50/46/92/1027504692.db2.gz JNESKYRGFRUPIY-HNNXBMFYSA-N 2 0 315.288 3.760 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423348583 1027507377 /nfs/dbraw/zinc/50/73/77/1027507377.db2.gz UHLIKWYGFRTUDJ-SECBINFHSA-N 2 0 303.208 3.703 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1([NH3+])CCC1 ZINC000423327311 1027509538 /nfs/dbraw/zinc/50/95/38/1027509538.db2.gz MTYXINFELKOVQL-MRXNPFEDSA-N 2 0 300.471 3.811 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCC[NH3+] ZINC000423328514 1027511741 /nfs/dbraw/zinc/51/17/41/1027511741.db2.gz KQSRGSBJCRBKIY-NSHDSACASA-N 2 0 307.438 3.647 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2cccc(Br)c21 ZINC000423329865 1027511844 /nfs/dbraw/zinc/51/18/44/1027511844.db2.gz BOIMQYYGOPRICY-XHDPSFHLSA-N 2 0 321.262 3.507 20 0 DHADRP [NH3+][C@H](C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000423326200 1027511933 /nfs/dbraw/zinc/51/19/33/1027511933.db2.gz QTJHVGARVWHFND-VNQPRFMTSA-N 2 0 312.379 3.668 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423349120 1027516899 /nfs/dbraw/zinc/51/68/99/1027516899.db2.gz VEAJFJCZQCMWFZ-QUCCMNQESA-N 2 0 311.473 3.833 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000423373160 1027518430 /nfs/dbraw/zinc/51/84/30/1027518430.db2.gz IVDOCQPQQSUPPT-IDHHARJASA-N 2 0 302.462 3.657 20 0 DHADRP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000296038040 1027522876 /nfs/dbraw/zinc/52/28/76/1027522876.db2.gz NUBCSJQYIJLTPH-LBTNJELSSA-N 2 0 306.400 3.559 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423364731 1027525303 /nfs/dbraw/zinc/52/53/03/1027525303.db2.gz BCDJQZMBNZIITP-DVOMOZLQSA-N 2 0 315.486 3.910 20 0 DHADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423390558 1027531996 /nfs/dbraw/zinc/53/19/96/1027531996.db2.gz OYCQLZQFSKQXDE-UTKZUKDTSA-N 2 0 322.452 3.547 20 0 DHADRP COCCC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1 ZINC000423424111 1027538293 /nfs/dbraw/zinc/53/82/93/1027538293.db2.gz MMJDALVIKXACPX-BXWFABGCSA-N 2 0 322.468 3.648 20 0 DHADRP CC[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@@H](CC)C3)c2)C1 ZINC000575986955 1027540869 /nfs/dbraw/zinc/54/08/69/1027540869.db2.gz FEHOVZZUGQGFBH-IAGOWNOFSA-N 2 0 301.478 3.545 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423442124 1027543058 /nfs/dbraw/zinc/54/30/58/1027543058.db2.gz UXJPOQDVMOCRRR-ZIAGYGMSSA-N 2 0 303.475 3.978 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423444295 1027543690 /nfs/dbraw/zinc/54/36/90/1027543690.db2.gz WOPUOOFPKHFZNF-STQMWFEESA-N 2 0 300.393 3.765 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443382 1027543796 /nfs/dbraw/zinc/54/37/96/1027543796.db2.gz AKUWROZIEPLVLK-NEPJUHHUSA-N 2 0 302.434 3.822 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1ccsc1 ZINC000296120395 1027546121 /nfs/dbraw/zinc/54/61/21/1027546121.db2.gz VFPNHOPXWRLPIS-INIZCTEOSA-N 2 0 312.442 3.878 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423440042 1027553207 /nfs/dbraw/zinc/55/32/07/1027553207.db2.gz SVSHPXHUJJXRAT-NHYWBVRUSA-N 2 0 315.383 3.585 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(OCC=C(C)C)cc1 ZINC000423465109 1027555355 /nfs/dbraw/zinc/55/53/55/1027555355.db2.gz MMNUXZKWWCZBBY-WMZOPIPTSA-N 2 0 304.478 3.680 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423469576 1027559292 /nfs/dbraw/zinc/55/92/92/1027559292.db2.gz CPCAJOFZNYDQOO-KDOFPFPSSA-N 2 0 302.462 3.539 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423478747 1027560410 /nfs/dbraw/zinc/56/04/10/1027560410.db2.gz LGEZALWKVGFHGP-ZFWWWQNUSA-N 2 0 310.869 3.922 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423477406 1027561468 /nfs/dbraw/zinc/56/14/68/1027561468.db2.gz TZFKCOQASUXNAC-TZQJONAQSA-N 2 0 300.368 3.667 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1SC ZINC000423487580 1027571108 /nfs/dbraw/zinc/57/11/08/1027571108.db2.gz UJUVKULHGUEBSY-UKRRQHHQSA-N 2 0 308.491 3.600 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423485256 1027572226 /nfs/dbraw/zinc/57/22/26/1027572226.db2.gz AWPCWZMQZUROJC-XYJFISCASA-N 2 0 304.478 3.890 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cs2)cs1 ZINC000423495698 1027575186 /nfs/dbraw/zinc/57/51/86/1027575186.db2.gz UZOZKOYHKCIOGS-VHRBIJSZSA-N 2 0 321.515 3.958 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2cccc(Br)c21 ZINC000423494187 1027575420 /nfs/dbraw/zinc/57/54/20/1027575420.db2.gz RXDSASBTPLSAAF-FJJYHAOUSA-N 2 0 323.278 3.714 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423512705 1027576673 /nfs/dbraw/zinc/57/66/73/1027576673.db2.gz QXRNPXMTEQQPQW-ZLDLUXBVSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423513130 1027577630 /nfs/dbraw/zinc/57/76/30/1027577630.db2.gz VFPLNZPHBNJNFO-LPHOPBHVSA-N 2 0 311.473 3.883 20 0 DHADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423535616 1027578546 /nfs/dbraw/zinc/57/85/46/1027578546.db2.gz DRUMBDHEQXONAJ-HNNXBMFYSA-N 2 0 310.388 3.639 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCCS2 ZINC000423536089 1027583200 /nfs/dbraw/zinc/58/32/00/1027583200.db2.gz GMWHXKXNOMILAV-KRWDZBQOSA-N 2 0 318.486 3.522 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc2c(s1)CCCC2 ZINC000423540592 1027583644 /nfs/dbraw/zinc/58/36/44/1027583644.db2.gz JYRWNPKFAZMAIO-ARLBYUKCSA-N 2 0 304.503 3.666 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CCC3=CC[NH2+]CC3)c(C)c2c1 ZINC000423540902 1027584054 /nfs/dbraw/zinc/58/40/54/1027584054.db2.gz RBJGPXMMEVCUST-CQSZACIVSA-N 2 0 314.429 3.710 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423547287 1027586043 /nfs/dbraw/zinc/58/60/43/1027586043.db2.gz PRTWEOLYXXWCPR-XJFOESAGSA-N 2 0 312.910 3.700 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423567872 1027586304 /nfs/dbraw/zinc/58/63/04/1027586304.db2.gz VEPZMIDBWBCFBV-MRXNPFEDSA-N 2 0 302.462 3.682 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000423547392 1027586691 /nfs/dbraw/zinc/58/66/91/1027586691.db2.gz GBWPDSIBTIQJML-CYBMUJFWSA-N 2 0 310.869 3.920 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000423554908 1027586885 /nfs/dbraw/zinc/58/68/85/1027586885.db2.gz XIHSJLYIJGTDPQ-ZGKBOVNRSA-N 2 0 308.466 3.586 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1OC(F)F ZINC000576519265 1027626879 /nfs/dbraw/zinc/62/68/79/1027626879.db2.gz GDNUCGNKRRHEBP-GFCCVEGCSA-N 2 0 306.356 3.598 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C[NH3+])cc3)oc21 ZINC000576637550 1027643468 /nfs/dbraw/zinc/64/34/68/1027643468.db2.gz LMEKPXUWDXHDKX-CYBMUJFWSA-N 2 0 310.397 3.751 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985442 1027689534 /nfs/dbraw/zinc/68/95/34/1027689534.db2.gz YXDKUZCFKIYXTD-LEWJYISDSA-N 2 0 321.468 3.665 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000577004906 1027691651 /nfs/dbraw/zinc/69/16/51/1027691651.db2.gz OHJPXKIUZLRFFU-KBPBESRZSA-N 2 0 308.416 3.636 20 0 DHADRP COCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000296653766 1027700352 /nfs/dbraw/zinc/70/03/52/1027700352.db2.gz ZBZAYUDOSQKDCL-IPQPSQTFSA-N 2 0 320.452 3.508 20 0 DHADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc(C)c1O ZINC000577423279 1027768114 /nfs/dbraw/zinc/76/81/14/1027768114.db2.gz DCNDYTYYBGURGF-QGZVFWFLSA-N 2 0 304.478 3.753 20 0 DHADRP COCc1cccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000364296386 1027803536 /nfs/dbraw/zinc/80/35/36/1027803536.db2.gz BRIQBKJUGQVBDI-RTWAWAEBSA-N 2 0 324.468 3.616 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527722899 1027845541 /nfs/dbraw/zinc/84/55/41/1027845541.db2.gz YAWWHUNBZKDOIF-LLVKDONJSA-N 2 0 306.397 3.588 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000577648507 1027862273 /nfs/dbraw/zinc/86/22/73/1027862273.db2.gz UPNBIQHWBJSTHQ-PMACEKPBSA-N 2 0 323.569 3.621 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000364657486 1027868578 /nfs/dbraw/zinc/86/85/78/1027868578.db2.gz UWZDISQIUQWSAH-ULQDDVLXSA-N 2 0 302.462 3.589 20 0 DHADRP C[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000577751988 1027918831 /nfs/dbraw/zinc/91/88/31/1027918831.db2.gz YIADJDVJEJUTMY-CZUORRHYSA-N 2 0 314.395 3.697 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CC12CC2 ZINC000527853186 1027918798 /nfs/dbraw/zinc/91/87/98/1027918798.db2.gz FEPRYHRDKABXPJ-ZOBUZTSGSA-N 2 0 304.503 3.738 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000577759188 1027920977 /nfs/dbraw/zinc/92/09/77/1027920977.db2.gz OEILRJGTUHXSBL-ZWKOTPCHSA-N 2 0 306.519 3.984 20 0 DHADRP Fc1cc2c(cc1Cl)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000527850917 1027933442 /nfs/dbraw/zinc/93/34/42/1027933442.db2.gz OWGRMBNLOKYLFB-DIFFPNOSSA-N 2 0 308.828 3.540 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([N@H+](Cc3ccncc3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170736324 1027980044 /nfs/dbraw/zinc/98/00/44/1027980044.db2.gz KPNMJYBRAGXYQR-LMZXCBKASA-N 2 0 313.489 3.588 20 0 DHADRP Fc1ccc(C2CC([NH2+]C[C@H]3CCN3C3CCCC3)C2)cc1 ZINC000528009179 1028039822 /nfs/dbraw/zinc/03/98/22/1028039822.db2.gz HFNYZGUYLSOBAB-GXOAENINSA-N 2 0 302.437 3.678 20 0 DHADRP Cc1ncccc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000527986154 1028045603 /nfs/dbraw/zinc/04/56/03/1028045603.db2.gz JIIYKACVEXZGOH-UHFFFAOYSA-N 2 0 323.484 3.923 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)C[C@@H]21 ZINC001170750687 1028080712 /nfs/dbraw/zinc/08/07/12/1028080712.db2.gz BDQLCTNNLIVMRE-NNZMDNLPSA-N 2 0 302.506 3.761 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367050709 1028126642 /nfs/dbraw/zinc/12/66/42/1028126642.db2.gz RRJGJPWFJKLPRY-AZUAARDMSA-N 2 0 315.505 3.819 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000367086625 1028134836 /nfs/dbraw/zinc/13/48/36/1028134836.db2.gz MBDLKPRBLVDPOE-AZUAARDMSA-N 2 0 322.537 3.826 20 0 DHADRP Cn1cncc1CCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000578374965 1028136415 /nfs/dbraw/zinc/13/64/15/1028136415.db2.gz XZAVGJWYJYNSNY-UHFFFAOYSA-N 2 0 309.413 3.648 20 0 DHADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170760283 1028185217 /nfs/dbraw/zinc/18/52/17/1028185217.db2.gz HYHLWQIWRJMOTL-HAGHYFMRSA-N 2 0 312.501 3.875 20 0 DHADRP CCN1CCC([N@H+](C)Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449010627 1028259510 /nfs/dbraw/zinc/25/95/10/1028259510.db2.gz UHKKSZGAOMJMSW-UHFFFAOYSA-N 2 0 312.457 3.765 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000449031144 1028271975 /nfs/dbraw/zinc/27/19/75/1028271975.db2.gz UMNZYPJTWOGBHQ-DEYYWGMASA-N 2 0 310.432 3.873 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC(c2ccccn2)C1 ZINC000368019695 1028279988 /nfs/dbraw/zinc/27/99/88/1028279988.db2.gz SUKQTSWIDZHJNT-WWDZGPRUSA-N 2 0 301.478 3.572 20 0 DHADRP CN(Cc1cc(Cl)sc1Cl)CC1CC[NH+](C)CC1 ZINC000449023111 1028291629 /nfs/dbraw/zinc/29/16/29/1028291629.db2.gz NLQPFKGTPNDJIN-UHFFFAOYSA-N 2 0 307.290 3.829 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000579009339 1028299708 /nfs/dbraw/zinc/29/97/08/1028299708.db2.gz UPTDCZCVGZEHPV-HNNXBMFYSA-N 2 0 312.379 3.527 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC000449046833 1028311314 /nfs/dbraw/zinc/31/13/14/1028311314.db2.gz MBWLHZDZFUBGID-UYAOXDASSA-N 2 0 324.468 3.765 20 0 DHADRP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000368213605 1028317547 /nfs/dbraw/zinc/31/75/47/1028317547.db2.gz BMPGPKYIZPDKRV-ZFWWWQNUSA-N 2 0 310.532 3.616 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449102328 1028353545 /nfs/dbraw/zinc/35/35/45/1028353545.db2.gz YBLODNCGFZSORU-CQSZACIVSA-N 2 0 310.432 3.922 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449087721 1028362069 /nfs/dbraw/zinc/36/20/69/1028362069.db2.gz GSFGARLXJQDWCO-HFTRVMKXSA-N 2 0 306.881 3.908 20 0 DHADRP Cc1csc(CN2CCC[C@@H](n3ccnc3C(C)C)C2)n1 ZINC000368548453 1028368347 /nfs/dbraw/zinc/36/83/47/1028368347.db2.gz OIFREIKPHDZDDH-CQSZACIVSA-N 2 0 304.463 3.609 20 0 DHADRP CC[C@@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000368611258 1028380919 /nfs/dbraw/zinc/38/09/19/1028380919.db2.gz HTCPQQQZHUHQQM-QZTJIDSGSA-N 2 0 322.537 3.778 20 0 DHADRP COc1ccc(Cl)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815151519 1028384583 /nfs/dbraw/zinc/38/45/83/1028384583.db2.gz RFAFGIIPKQPXMM-UHFFFAOYSA-N 2 0 310.869 3.704 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C)cc2OC)c1 ZINC000449133761 1028387429 /nfs/dbraw/zinc/38/74/29/1028387429.db2.gz ZSAZDEIIXXPFMN-UHFFFAOYSA-N 2 0 312.457 3.745 20 0 DHADRP CSCCCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449153936 1028406103 /nfs/dbraw/zinc/40/61/03/1028406103.db2.gz GLGTUCGFYNGTDX-QGZVFWFLSA-N 2 0 320.546 3.815 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000449173497 1028413952 /nfs/dbraw/zinc/41/39/52/1028413952.db2.gz LJCQNDQXQJLPHG-AWEZNQCLSA-N 2 0 314.395 3.624 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449174161 1028414665 /nfs/dbraw/zinc/41/46/65/1028414665.db2.gz YJYXCOHAJOCFSJ-CQSZACIVSA-N 2 0 310.432 3.780 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000449173149 1028414765 /nfs/dbraw/zinc/41/47/65/1028414765.db2.gz WQSSTIDDDOYYQO-HZPDHXFCSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCC[C@H]1C ZINC000449192738 1028430012 /nfs/dbraw/zinc/43/00/12/1028430012.db2.gz VIFFRPILPVTGLK-JVJLKXRTSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000564440454 1028448068 /nfs/dbraw/zinc/44/80/68/1028448068.db2.gz HUSOOTVKPOAMHX-KDOFPFPSSA-N 2 0 312.461 3.841 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449220432 1028460049 /nfs/dbraw/zinc/46/00/49/1028460049.db2.gz QEXHIRBKBTYTBB-INIZCTEOSA-N 2 0 306.498 3.598 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000449267592 1028493911 /nfs/dbraw/zinc/49/39/11/1028493911.db2.gz AEHSHLPJLBPCDB-KURKYZTESA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](F)C2)CCN1Cc1ccccc1 ZINC000564960560 1028519964 /nfs/dbraw/zinc/51/99/64/1028519964.db2.gz DJSZUJPJXSVXLE-XGXHKWSGSA-N 2 0 304.453 3.910 20 0 DHADRP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322963 1028534132 /nfs/dbraw/zinc/53/41/32/1028534132.db2.gz QUOICMBZVUYDPG-DLBZAZTESA-N 2 0 324.553 3.928 20 0 DHADRP COc1cccc2c(C[N@H+](C)[C@@H]3CCN(C)C[C@H]3C)cccc12 ZINC000449328088 1028539415 /nfs/dbraw/zinc/53/94/15/1028539415.db2.gz DSVGHMHCIIVEND-DNVCBOLYSA-N 2 0 312.457 3.620 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000449345782 1028556373 /nfs/dbraw/zinc/55/63/73/1028556373.db2.gz JUZICOXPBFRDHU-FUHWJXTLSA-N 2 0 308.510 3.578 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cc1 ZINC000565276942 1028569416 /nfs/dbraw/zinc/56/94/16/1028569416.db2.gz QOMYFFCSNOKKSJ-OSGQAZFXSA-N 2 0 304.478 3.506 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000449338319 1028572512 /nfs/dbraw/zinc/57/25/12/1028572512.db2.gz VEYYACCVFKQAPD-OAHLLOKOSA-N 2 0 322.443 3.717 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000565511937 1028596657 /nfs/dbraw/zinc/59/66/57/1028596657.db2.gz YWNYTUKDSVDHHH-UHFFFAOYSA-N 2 0 315.505 3.664 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000565618029 1028612147 /nfs/dbraw/zinc/61/21/47/1028612147.db2.gz AFOAQHSJNGZTPW-DOXZYTNZSA-N 2 0 311.473 3.926 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000449403726 1028620426 /nfs/dbraw/zinc/62/04/26/1028620426.db2.gz RHAMRNVNCODYEB-CUDHKJQZSA-N 2 0 318.505 3.548 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000565774571 1028631645 /nfs/dbraw/zinc/63/16/45/1028631645.db2.gz FOZXWVMSDUPSBQ-MRXNPFEDSA-N 2 0 310.441 3.533 20 0 DHADRP CCCCC[C@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370659046 1028632839 /nfs/dbraw/zinc/63/28/39/1028632839.db2.gz AATFUIAVLCUDDV-SFHVURJKSA-N 2 0 323.569 3.741 20 0 DHADRP Cc1ncsc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449467213 1028685754 /nfs/dbraw/zinc/68/57/54/1028685754.db2.gz KYYGLUNJDYGMCA-WMLDXEAASA-N 2 0 321.534 3.627 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000566230294 1028692038 /nfs/dbraw/zinc/69/20/38/1028692038.db2.gz ZWYMLGJXWDNGHO-KBPBESRZSA-N 2 0 318.411 3.812 20 0 DHADRP Cc1cccnc1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449484401 1028693668 /nfs/dbraw/zinc/69/36/68/1028693668.db2.gz MFQPSRUFVJXIJE-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000566481266 1028732668 /nfs/dbraw/zinc/73/26/68/1028732668.db2.gz GNIQBEWWALSEJQ-QXAKKESOSA-N 2 0 315.505 3.510 20 0 DHADRP Cc1nccn1CCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000528775287 1028799458 /nfs/dbraw/zinc/79/94/58/1028799458.db2.gz QHDNREXUSJXOQI-GOSISDBHSA-N 2 0 315.436 3.989 20 0 DHADRP CC1(C)SC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000566986514 1028814264 /nfs/dbraw/zinc/81/42/64/1028814264.db2.gz GECJQLSTVXAUCK-ZJPYXAASSA-N 2 0 316.514 3.666 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000567403893 1028885713 /nfs/dbraw/zinc/88/57/13/1028885713.db2.gz VMIAWCRBZJZCCP-NSHGMRRFSA-N 2 0 323.569 3.740 20 0 DHADRP COC1(C[C@H](C)[NH2+]C2CCN(Cc3ccsc3)CC2)CCC1 ZINC000372997172 1028932641 /nfs/dbraw/zinc/93/26/41/1028932641.db2.gz MZIBQESBSIEYJB-HNNXBMFYSA-N 2 0 322.518 3.650 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1sccc1Br ZINC000567655267 1028934386 /nfs/dbraw/zinc/93/43/86/1028934386.db2.gz VGSZPTOCDMMDOI-GHMZBOCLSA-N 2 0 317.296 3.693 20 0 DHADRP C[C@]1(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCCS1 ZINC000628200247 1028934843 /nfs/dbraw/zinc/93/48/43/1028934843.db2.gz DNGJIUXKRXWXKV-GOSISDBHSA-N 2 0 304.503 3.658 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628201106 1028935114 /nfs/dbraw/zinc/93/51/14/1028935114.db2.gz RDQQTSYUCINTMW-UHFFFAOYSA-N 2 0 314.395 3.710 20 0 DHADRP CCSc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000567870943 1028966134 /nfs/dbraw/zinc/96/61/34/1028966134.db2.gz ADELKLBXSPYBDJ-QGZVFWFLSA-N 2 0 304.503 3.620 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449756213 1028976865 /nfs/dbraw/zinc/97/68/65/1028976865.db2.gz OWNDLVISTACVBL-NXWXRZEISA-N 2 0 308.510 3.577 20 0 DHADRP COc1cc(F)cc(C[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000449783830 1028997052 /nfs/dbraw/zinc/99/70/52/1028997052.db2.gz SBAOGDVACSFOHJ-CQSZACIVSA-N 2 0 322.468 3.618 20 0 DHADRP C[C@@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc2c1CCCC2 ZINC000628371946 1029019014 /nfs/dbraw/zinc/01/90/14/1029019014.db2.gz PJDSUEBFFLIJPJ-FUHWJXTLSA-N 2 0 309.457 3.845 20 0 DHADRP C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc2c1CCCC2 ZINC000628371947 1029019927 /nfs/dbraw/zinc/01/99/27/1029019927.db2.gz PJDSUEBFFLIJPJ-SJLPKXTDSA-N 2 0 309.457 3.845 20 0 DHADRP Cc1ccc2ncc(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2c1 ZINC000411183185 1029059816 /nfs/dbraw/zinc/05/98/16/1029059816.db2.gz CPTJBHFGQYEGLB-UHFFFAOYSA-N 2 0 311.473 3.707 20 0 DHADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCCOC1 ZINC000411283457 1029090148 /nfs/dbraw/zinc/09/01/48/1029090148.db2.gz WKQWVIZJLDCRFB-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000373642061 1029106233 /nfs/dbraw/zinc/10/62/33/1029106233.db2.gz CSIRTYXIZHGTHX-WBVHZDCISA-N 2 0 304.453 3.924 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000373696609 1029116557 /nfs/dbraw/zinc/11/65/57/1029116557.db2.gz MKFGVNOBYXDJGT-IYWMVGAKSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000568943678 1029149677 /nfs/dbraw/zinc/14/96/77/1029149677.db2.gz FPWWVGDAZCCIMV-UONOGXRCSA-N 2 0 314.395 3.568 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000569211528 1029195692 /nfs/dbraw/zinc/19/56/92/1029195692.db2.gz RBXSYFOXBIOLKS-HXUWFJFHSA-N 2 0 312.432 3.813 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccc(F)c(F)c2)C[C@@H]1C ZINC000569291097 1029212730 /nfs/dbraw/zinc/21/27/30/1029212730.db2.gz SEUNQLCFCZPZNK-NCVJHSOJSA-N 2 0 308.416 3.783 20 0 DHADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000411810122 1029216461 /nfs/dbraw/zinc/21/64/61/1029216461.db2.gz VHNGMYKTWACIQA-FXAWDEMLSA-N 2 0 316.489 3.529 20 0 DHADRP c1cc2cc(CC[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc2[nH]1 ZINC000374211808 1029239054 /nfs/dbraw/zinc/23/90/54/1029239054.db2.gz QAMDGUZNRVBXPB-UHFFFAOYSA-N 2 0 311.473 3.707 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000569677777 1029247433 /nfs/dbraw/zinc/24/74/33/1029247433.db2.gz GCBUTQGYSARACK-CKEIUWERSA-N 2 0 302.487 3.762 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000817909022 1029273446 /nfs/dbraw/zinc/27/34/46/1029273446.db2.gz WMEKNAIRFSDVKZ-CHWSQXEVSA-N 2 0 317.864 3.784 20 0 DHADRP Cc1nccn1CCC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411992552 1029273512 /nfs/dbraw/zinc/27/35/12/1029273512.db2.gz VJVVQCDLGXNYQA-LJQANCHMSA-N 2 0 309.457 3.851 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000817901787 1029273850 /nfs/dbraw/zinc/27/38/50/1029273850.db2.gz YTYQLSWZGZXGDS-YEYPGUGLSA-N 3 0 313.489 3.518 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1(Cl)Cl ZINC000817936197 1029278449 /nfs/dbraw/zinc/27/84/49/1029278449.db2.gz IHTJVAFURCTNCF-BARDWOONSA-N 2 0 319.320 3.861 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000817936885 1029279682 /nfs/dbraw/zinc/27/96/82/1029279682.db2.gz ODBJLOGJKFLNLW-AEGPPILISA-N 2 0 315.288 3.509 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926594 1029279890 /nfs/dbraw/zinc/27/98/90/1029279890.db2.gz OMPFSBRBLCPOEM-BIMULSAOSA-N 2 0 315.244 3.534 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817948861 1029289787 /nfs/dbraw/zinc/28/97/87/1029289787.db2.gz LUWVREZGKDIBAQ-HXUWFJFHSA-N 2 0 324.468 3.808 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc2c(s1)CCC2 ZINC000817947990 1029289906 /nfs/dbraw/zinc/28/99/06/1029289906.db2.gz HXJHAPDPZOVQQJ-CYBMUJFWSA-N 2 0 300.471 3.589 20 0 DHADRP Cc1nccn1CC[NH2+][C@](C)(Cc1ccccc1)c1ccccc1 ZINC000412095528 1029321616 /nfs/dbraw/zinc/32/16/16/1029321616.db2.gz LVFZGZGOYBZOGP-OAQYLSRUSA-N 2 0 319.452 3.939 20 0 DHADRP COCC[NH2+]C1CC[NH+](C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000570167273 1029326991 /nfs/dbraw/zinc/32/69/91/1029326991.db2.gz WVCGVMKHDRHMAG-IBGZPJMESA-N 2 0 318.505 3.517 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C(C)C)nc2CC)CC1 ZINC000629514341 1029351921 /nfs/dbraw/zinc/35/19/21/1029351921.db2.gz RAHTXCOHINBSNS-UHFFFAOYSA-N 2 0 303.494 3.589 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000629532022 1029356790 /nfs/dbraw/zinc/35/67/90/1029356790.db2.gz IVHPEJCPRQSVIA-MOPGFXCFSA-N 2 0 323.484 3.755 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCC1CCCCC1 ZINC000570366396 1029358299 /nfs/dbraw/zinc/35/82/99/1029358299.db2.gz ZKJBVMBUAZONGJ-GUDVDZBRSA-N 2 0 308.510 3.530 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551531 1029367838 /nfs/dbraw/zinc/36/78/38/1029367838.db2.gz UZHLKKMLLSFAPT-HIFRSBDPSA-N 2 0 314.395 3.657 20 0 DHADRP COc1c(C(C)(C)C)cc(N[C@@H]([NH3+])CCC[NH3+])cc1C(C)(C)C ZINC001170900875 1029371079 /nfs/dbraw/zinc/37/10/79/1029371079.db2.gz QZJZNDUDMNWJIR-MRXNPFEDSA-N 2 0 321.509 3.726 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000450326081 1029378508 /nfs/dbraw/zinc/37/85/08/1029378508.db2.gz XBRSVNAUTNZTFR-DLBZAZTESA-N 2 0 314.464 3.866 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529542618 1029385651 /nfs/dbraw/zinc/38/56/51/1029385651.db2.gz QNWNOGOCWHEQAE-YQQAZPJKSA-N 2 0 322.443 3.920 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000529567304 1029424793 /nfs/dbraw/zinc/42/47/93/1029424793.db2.gz LSZSUTDTSDRJEP-YVEFUNNKSA-N 2 0 310.844 3.786 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3s2)C1 ZINC000571007101 1029442609 /nfs/dbraw/zinc/44/26/09/1029442609.db2.gz XRSPBWOECBODSW-WBVHZDCISA-N 2 0 300.471 3.817 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450659654 1029600841 /nfs/dbraw/zinc/60/08/41/1029600841.db2.gz QXRXMWVSDNZCBB-MRXNPFEDSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724329 1029634800 /nfs/dbraw/zinc/63/48/00/1029634800.db2.gz GFKJZAJGVVKAGM-ZNMIVQPWSA-N 2 0 300.437 3.664 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170948336 1029732016 /nfs/dbraw/zinc/73/20/16/1029732016.db2.gz GDVKENHVTNHFDT-QGZVFWFLSA-N 2 0 304.453 3.667 20 0 DHADRP CN1CCC([NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820805519 1029767332 /nfs/dbraw/zinc/76/73/32/1029767332.db2.gz LIOVGFMBGNRDCE-GOSISDBHSA-N 2 0 318.848 3.901 20 0 DHADRP COc1cccc([C@@H]2C[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2(C)C)c1 ZINC000530245356 1029790173 /nfs/dbraw/zinc/79/01/73/1029790173.db2.gz WOBPMQJIPDHVCB-MDZRGWNJSA-N 2 0 316.489 3.509 20 0 DHADRP Fc1cccc2c1C[C@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001170961601 1029825619 /nfs/dbraw/zinc/82/56/19/1029825619.db2.gz QEPACAPNCDPNAN-QGZVFWFLSA-N 2 0 304.453 3.539 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CCN(C)CC1 ZINC000121796535 1029840848 /nfs/dbraw/zinc/84/08/48/1029840848.db2.gz CHGREAOUYFYYMJ-GOSISDBHSA-N 2 0 302.462 3.708 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170970657 1029868592 /nfs/dbraw/zinc/86/85/92/1029868592.db2.gz LXKPVTJSMIWVNM-QGZVFWFLSA-N 2 0 316.464 3.667 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865589876 1029929978 /nfs/dbraw/zinc/92/99/78/1029929978.db2.gz IOBXDBMDTGOFRX-UHFFFAOYSA-N 2 0 303.425 3.584 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000530662788 1029948578 /nfs/dbraw/zinc/94/85/78/1029948578.db2.gz BVHUZHCXJYXQIM-DOTOQJQBSA-N 2 0 324.896 3.914 20 0 DHADRP CC[N@H+](C)Cc1cccc(CNc2cc[nH+]c(C)c2Cl)c1 ZINC000357332174 1030001152 /nfs/dbraw/zinc/00/11/52/1030001152.db2.gz DZOBZMZEDZQHGN-UHFFFAOYSA-N 2 0 303.837 3.529 20 0 DHADRP COc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1Cl ZINC000865765440 1030014296 /nfs/dbraw/zinc/01/42/96/1030014296.db2.gz URSCGOGGVDKDJW-UHFFFAOYSA-N 2 0 310.869 3.701 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000865765496 1030014340 /nfs/dbraw/zinc/01/43/40/1030014340.db2.gz XHFLLYOIRMNHTK-UHFFFAOYSA-N 2 0 316.276 3.741 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000865765402 1030014373 /nfs/dbraw/zinc/01/43/73/1030014373.db2.gz SYZREAFUMCLYJO-PLNGDYQASA-N 2 0 308.416 3.831 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000865765311 1030015092 /nfs/dbraw/zinc/01/50/92/1030015092.db2.gz QAPWLFDIUWHANO-UHFFFAOYSA-N 2 0 321.412 3.514 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1(C)C ZINC000865780824 1030022815 /nfs/dbraw/zinc/02/28/15/1030022815.db2.gz BCZNNBVILJDTRH-MELADBBJSA-N 2 0 304.400 3.594 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C2CCCCCC2)CCO1 ZINC000865805260 1030031921 /nfs/dbraw/zinc/03/19/21/1030031921.db2.gz WUKDKTWNKTTWLQ-QRQLOZEOSA-N 2 0 308.510 3.577 20 0 DHADRP ClC1(Cl)C[C@@H]1CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000822634495 1030095339 /nfs/dbraw/zinc/09/53/39/1030095339.db2.gz HJEVVXWZRORABE-UONOGXRCSA-N 2 0 305.293 3.521 20 0 DHADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000290622173 1030128252 /nfs/dbraw/zinc/12/82/52/1030128252.db2.gz XHLXJKCWYHCZHJ-GUYCJALGSA-N 2 0 317.864 3.660 20 0 DHADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000822770934 1030128953 /nfs/dbraw/zinc/12/89/53/1030128953.db2.gz NAMPBNOFZKLYNB-YDHLFZDLSA-N 2 0 317.304 3.519 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1 ZINC000924583940 1030129656 /nfs/dbraw/zinc/12/96/56/1030129656.db2.gz BCBWTXAVPMTKQI-QGZVFWFLSA-N 2 0 311.473 3.644 20 0 DHADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000924687071 1030159673 /nfs/dbraw/zinc/15/96/73/1030159673.db2.gz NRCXLVKMGMTTTL-GOEBONIOSA-N 2 0 305.466 3.605 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000924688602 1030160252 /nfs/dbraw/zinc/16/02/52/1030160252.db2.gz UBTFOYOGEJMEOJ-QRVBRYPASA-N 2 0 310.526 3.562 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000924704671 1030166298 /nfs/dbraw/zinc/16/62/98/1030166298.db2.gz GTHYCOWOISGLGZ-JKSUJKDBSA-N 2 0 306.519 3.661 20 0 DHADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000866234471 1030170480 /nfs/dbraw/zinc/17/04/80/1030170480.db2.gz SXFVCAROUCJIGL-MJGOQNOKSA-N 2 0 303.494 3.880 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000866234469 1030171518 /nfs/dbraw/zinc/17/15/18/1030171518.db2.gz SXFVCAROUCJIGL-IEBWSBKVSA-N 2 0 303.494 3.880 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866260570 1030185780 /nfs/dbraw/zinc/18/57/80/1030185780.db2.gz VIGUOUQGSCSVRM-GFCCVEGCSA-N 2 0 321.852 3.864 20 0 DHADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000866289809 1030208653 /nfs/dbraw/zinc/20/86/53/1030208653.db2.gz KOGJJQWBNDGIJP-GOSISDBHSA-N 2 0 302.462 3.535 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866314807 1030224756 /nfs/dbraw/zinc/22/47/56/1030224756.db2.gz PFTZWGAEFFUKRH-OAQYLSRUSA-N 2 0 321.468 3.607 20 0 DHADRP Cc1cc(C)cc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2cccnc2)c1 ZINC000924964184 1030238926 /nfs/dbraw/zinc/23/89/26/1030238926.db2.gz OZSJNQGJRAUWQW-NRFANRHFSA-N 2 0 323.484 3.719 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000925008061 1030248879 /nfs/dbraw/zinc/24/88/79/1030248879.db2.gz BCSHDWKTIGFADG-JKSUJKDBSA-N 2 0 312.457 3.841 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171013115 1030249032 /nfs/dbraw/zinc/24/90/32/1030249032.db2.gz LEEUDSRXBLYHJH-INIZCTEOSA-N 2 0 308.897 3.909 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866353447 1030251245 /nfs/dbraw/zinc/25/12/45/1030251245.db2.gz YFRYVUAPNNPOPR-RXVVDRJESA-N 2 0 323.484 3.514 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866372398 1030262833 /nfs/dbraw/zinc/26/28/33/1030262833.db2.gz FVDLYFZXLKXXDV-CHWSQXEVSA-N 2 0 321.852 3.864 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCc3nccs3)CC2)C1 ZINC000358043903 1030297279 /nfs/dbraw/zinc/29/72/79/1030297279.db2.gz WZZGICRUGUCMRJ-RDJZCZTQSA-N 2 0 321.534 3.708 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000866517059 1030343157 /nfs/dbraw/zinc/34/31/57/1030343157.db2.gz VPLCXHVJGDGGHA-RMXPPQQLSA-N 2 0 302.462 3.753 20 0 DHADRP CC[NH+](CC)Cc1ccccc1Nc1ccnn1-c1cc[nH+]cc1 ZINC001211991874 1030361193 /nfs/dbraw/zinc/36/11/93/1030361193.db2.gz SBKHOEUTJGVASU-UHFFFAOYSA-N 2 0 321.428 3.853 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171024915 1030367921 /nfs/dbraw/zinc/36/79/21/1030367921.db2.gz LIIWPJLCICOSJS-HWOWSKLDSA-N 2 0 306.881 3.660 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000823676785 1030372930 /nfs/dbraw/zinc/37/29/30/1030372930.db2.gz IKKUPHXXLFIIDK-LJQANCHMSA-N 2 0 300.490 3.787 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)CO2 ZINC000925535049 1030390542 /nfs/dbraw/zinc/39/05/42/1030390542.db2.gz SRXWRDHVDHXNMQ-DNVCBOLYSA-N 2 0 310.441 3.841 20 0 DHADRP CC(C)[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925537528 1030393827 /nfs/dbraw/zinc/39/38/27/1030393827.db2.gz LJUKCXKHXLBROY-WOJBJXKFSA-N 2 0 311.473 3.891 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925552821 1030399375 /nfs/dbraw/zinc/39/93/75/1030399375.db2.gz KZQZUCBVNHTQEJ-HXUWFJFHSA-N 3 0 317.521 3.568 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925566420 1030406975 /nfs/dbraw/zinc/40/69/75/1030406975.db2.gz BRJRUSSUDJRVQS-ZSYWTGECSA-N 2 0 316.489 3.650 20 0 DHADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925571997 1030408774 /nfs/dbraw/zinc/40/87/74/1030408774.db2.gz HRINBVKHNXPCAY-AHRSYUTCSA-N 2 0 312.457 3.568 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(C[NH+](C)C)c1 ZINC000925569281 1030409151 /nfs/dbraw/zinc/40/91/51/1030409151.db2.gz ZXMRTQNHNBBTJJ-HNNXBMFYSA-N 2 0 310.441 3.629 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000925615980 1030422040 /nfs/dbraw/zinc/42/20/40/1030422040.db2.gz JIACAYOWZSRXAJ-IBGZPJMESA-N 2 0 312.461 3.568 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000925640566 1030433119 /nfs/dbraw/zinc/43/31/19/1030433119.db2.gz SICQUNUJURFYBS-QHAWAJNXSA-N 2 0 324.468 3.977 20 0 DHADRP CCO[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925662148 1030445734 /nfs/dbraw/zinc/44/57/34/1030445734.db2.gz YUCOIEGAWCKIEK-UXHICEINSA-N 2 0 312.457 3.834 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[C@@H](c3cccc(F)c3)C1)[NH2+]2 ZINC000925661774 1030446108 /nfs/dbraw/zinc/44/61/08/1030446108.db2.gz DOPONHMGXWWKFZ-HYLTUCOTSA-N 2 0 302.437 3.580 20 0 DHADRP CSCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925681082 1030451318 /nfs/dbraw/zinc/45/13/18/1030451318.db2.gz VVJDDGBPHJXNGT-SYNTWQANSA-N 2 0 310.551 3.666 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000925723902 1030465355 /nfs/dbraw/zinc/46/53/55/1030465355.db2.gz DJXIPPDJLJXSJR-NXOAAHMSSA-N 2 0 322.880 3.666 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)c1ccccc1 ZINC000925733800 1030470277 /nfs/dbraw/zinc/47/02/77/1030470277.db2.gz XXWMXDPFUKMMFQ-SOAGJPPSSA-N 2 0 309.457 3.699 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c2ccccc21 ZINC000925778628 1030491429 /nfs/dbraw/zinc/49/14/29/1030491429.db2.gz UMJSCDBTSCSRQS-OLZOCXBDSA-N 2 0 322.374 3.874 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c2ccccc21 ZINC000925778630 1030493030 /nfs/dbraw/zinc/49/30/30/1030493030.db2.gz UMJSCDBTSCSRQS-QWHCGFSZSA-N 2 0 322.374 3.874 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cs2)cs1 ZINC000925793617 1030497583 /nfs/dbraw/zinc/49/75/83/1030497583.db2.gz ZDXVCSDAWMIHDC-SUNKGSAMSA-N 2 0 321.515 3.686 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796214 1030500415 /nfs/dbraw/zinc/50/04/15/1030500415.db2.gz ARIHXQZCBLWRBC-YRGRVCCFSA-N 2 0 309.523 3.645 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1nc2ccccc2s1 ZINC000925800197 1030501086 /nfs/dbraw/zinc/50/10/86/1030501086.db2.gz WPWUAXZEHAQNHC-KBUPBQIOSA-N 2 0 317.502 3.624 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000558258583 1030503157 /nfs/dbraw/zinc/50/31/57/1030503157.db2.gz OBCKDFBYIOJNLT-LZLYRXPVSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)c(C)s1 ZINC000925807864 1030505260 /nfs/dbraw/zinc/50/52/60/1030505260.db2.gz KYTSEFXXQGIFQU-CYBMUJFWSA-N 2 0 309.523 3.971 20 0 DHADRP Fc1cncc([C@H]([NH2+]CCCCCC2CC[NH2+]CC2)C2CC2)c1 ZINC000925810353 1030507097 /nfs/dbraw/zinc/50/70/97/1030507097.db2.gz ZHZMNGHPOHUQBW-LJQANCHMSA-N 2 0 319.468 3.821 20 0 DHADRP c1cnc2ccc(CC[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)cc2c1 ZINC000925815364 1030509493 /nfs/dbraw/zinc/50/94/93/1030509493.db2.gz XBMRQQILWQMGKA-PZJWPPBQSA-N 2 0 323.484 3.535 20 0 DHADRP C[C@@H]1Cc2cc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)ccc2O1 ZINC000925831963 1030513989 /nfs/dbraw/zinc/51/39/89/1030513989.db2.gz MAGBGQWALUXPIC-DNVCBOLYSA-N 2 0 310.441 3.580 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507404 1030517599 /nfs/dbraw/zinc/51/75/99/1030517599.db2.gz KGRKLSKAHOTJNK-ZDUSSCGKSA-N 2 0 323.278 3.586 20 0 DHADRP CCC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccnc1 ZINC000925886977 1030535479 /nfs/dbraw/zinc/53/54/79/1030535479.db2.gz OPLICUWDWLYUIB-AQNXPRMDSA-N 2 0 309.457 3.572 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887642 1030537883 /nfs/dbraw/zinc/53/78/83/1030537883.db2.gz IVDDOVLLJORYAN-DJPFJPOOSA-N 2 0 324.468 3.713 20 0 DHADRP C[N@H+](C1CC1)C1CCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055344 1030553278 /nfs/dbraw/zinc/55/32/78/1030553278.db2.gz FKCOJAIWGMYKAI-QGZVFWFLSA-N 2 0 318.892 3.756 20 0 DHADRP CSC1(C[NH2+][C@H](C)[C@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000558508612 1030611303 /nfs/dbraw/zinc/61/13/03/1030611303.db2.gz XCYDUGGFVANWCX-JKSUJKDBSA-N 2 0 306.519 3.596 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@H](C[N@@H+](C)CC)C2)c1C ZINC000558521306 1030619046 /nfs/dbraw/zinc/61/90/46/1030619046.db2.gz BZWJUDWHRWQTKY-MRXNPFEDSA-N 2 0 311.473 3.884 20 0 DHADRP Cc1nc(C)c(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000246668920 1030643079 /nfs/dbraw/zinc/64/30/79/1030643079.db2.gz JJPICFVNJBQAFZ-PBHICJAKSA-N 2 0 321.534 3.846 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926199098 1030652075 /nfs/dbraw/zinc/65/20/75/1030652075.db2.gz XZYDXLSNQIXKGN-BEVDRBHNSA-N 2 0 316.489 3.604 20 0 DHADRP CSc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246861711 1030657388 /nfs/dbraw/zinc/65/73/88/1030657388.db2.gz PQMAZRKPHLNBOG-LPHOPBHVSA-N 2 0 316.514 3.857 20 0 DHADRP C[N@@H+]1CCC[C@H]2CN(Cc3cnc(C4CCCC4)s3)CC[C@H]21 ZINC000246846618 1030658956 /nfs/dbraw/zinc/65/89/56/1030658956.db2.gz RZYRASWRIQWHTF-DOTOQJQBSA-N 2 0 319.518 3.717 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122339668 1030665028 /nfs/dbraw/zinc/66/50/28/1030665028.db2.gz DMTJCAOYAXGFMA-HNNXBMFYSA-N 2 0 324.534 3.637 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926353613 1030709071 /nfs/dbraw/zinc/70/90/71/1030709071.db2.gz KHMIXCJNINQGGJ-DFGXFYAUSA-N 2 0 304.478 3.602 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000247939839 1030711444 /nfs/dbraw/zinc/71/14/44/1030711444.db2.gz CXPBCTNTDICTJR-ZWKOTPCHSA-N 2 0 324.896 3.618 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000359004118 1030723560 /nfs/dbraw/zinc/72/35/60/1030723560.db2.gz SSKBNFYBQDVGAM-ZBFHGGJFSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359016475 1030733284 /nfs/dbraw/zinc/73/32/84/1030733284.db2.gz QYZFAHNSGJUDJC-HKUYNNGSSA-N 2 0 309.457 3.563 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926449773 1030745854 /nfs/dbraw/zinc/74/58/54/1030745854.db2.gz HWDOPMZIBSGACK-HIFRSBDPSA-N 2 0 315.486 3.600 20 0 DHADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCCCC[NH+]2CCCC2)nc1 ZINC000926488210 1030760910 /nfs/dbraw/zinc/76/09/10/1030760910.db2.gz WRUOKEOPUDZQFR-QUCCMNQESA-N 2 0 315.505 3.649 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCSCC2)C3)cc1 ZINC000248828242 1030770595 /nfs/dbraw/zinc/77/05/95/1030770595.db2.gz GTGJWWOTXDLMSH-LDLYASANSA-N 2 0 316.514 3.667 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926571798 1030801380 /nfs/dbraw/zinc/80/13/80/1030801380.db2.gz CMQSFEUPJWISKB-NQIIRXRSSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292116428 1030818936 /nfs/dbraw/zinc/81/89/36/1030818936.db2.gz JREWPGPFRKQCSV-AEFFLSMTSA-N 2 0 304.503 3.585 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292116434 1030820126 /nfs/dbraw/zinc/82/01/26/1030820126.db2.gz JREWPGPFRKQCSV-WMZOPIPTSA-N 2 0 304.503 3.585 20 0 DHADRP Cc1ccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)c2cccnc2)cc1 ZINC000926605298 1030822416 /nfs/dbraw/zinc/82/24/16/1030822416.db2.gz UMGTZBMSKZSFNU-CBNMVNINSA-N 2 0 323.484 3.942 20 0 DHADRP Cc1ccc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2cccnc2)cc1 ZINC000926605300 1030823685 /nfs/dbraw/zinc/82/36/85/1030823685.db2.gz UMGTZBMSKZSFNU-XVAXZDLZSA-N 2 0 323.484 3.942 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171091399 1030826608 /nfs/dbraw/zinc/82/66/08/1030826608.db2.gz PGXSHXYLJISQMJ-GOSISDBHSA-N 2 0 306.881 3.519 20 0 DHADRP C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926659146 1030847062 /nfs/dbraw/zinc/84/70/62/1030847062.db2.gz BKOLAEMNMPSWOY-YSSFQJQWSA-N 2 0 316.489 3.747 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000926665096 1030850652 /nfs/dbraw/zinc/85/06/52/1030850652.db2.gz BDMJXPMFOSXGQU-UHOSZYNNSA-N 2 0 312.457 3.802 20 0 DHADRP CCc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2cccnc2)cc1 ZINC000926665563 1030851258 /nfs/dbraw/zinc/85/12/58/1030851258.db2.gz HSEWYEVRCQUEMR-WMQCIHAUSA-N 2 0 323.484 3.663 20 0 DHADRP C[C@@H]([NH2+]CCc1noc2ccccc12)c1cccc(C[NH+](C)C)c1 ZINC000926677014 1030854270 /nfs/dbraw/zinc/85/42/70/1030854270.db2.gz NJIWMZJQLCWZOI-OAHLLOKOSA-N 2 0 323.440 3.783 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171096563 1030905438 /nfs/dbraw/zinc/90/54/38/1030905438.db2.gz UIORZEHWDMKOCO-KDOFPFPSSA-N 2 0 306.881 3.519 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(F)c1F)c1cccc(C[NH+](C)C)c1 ZINC000926786835 1030923935 /nfs/dbraw/zinc/92/39/35/1030923935.db2.gz DOHUYKMTJMLGQI-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cccc(C[NH+](C)C)c1 ZINC000926788683 1030927061 /nfs/dbraw/zinc/92/70/61/1030927061.db2.gz BIDOPCJCCREBBL-INIZCTEOSA-N 2 0 324.468 3.672 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000161632506 1030929085 /nfs/dbraw/zinc/92/90/85/1030929085.db2.gz UACXTPWDBHAAFU-APHBMKBZSA-N 2 0 312.379 3.983 20 0 DHADRP CC(C)OC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000926828798 1030946708 /nfs/dbraw/zinc/94/67/08/1030946708.db2.gz KERQPXGTMXIJHM-INIZCTEOSA-N 2 0 304.478 3.747 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000926838210 1030948468 /nfs/dbraw/zinc/94/84/68/1030948468.db2.gz RKQZVANFXBXHSX-PMACEKPBSA-N 2 0 318.505 3.599 20 0 DHADRP CC[NH+](CC)[C@H](C)CNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000359440170 1030968574 /nfs/dbraw/zinc/96/85/74/1030968574.db2.gz OPXCHDMSWXQUKV-GFCCVEGCSA-N 2 0 305.397 3.525 20 0 DHADRP CC(C)c1ncc(CN(CCC[NH3+])Cc2ccccc2)s1 ZINC000359460075 1030975669 /nfs/dbraw/zinc/97/56/69/1030975669.db2.gz VAGLWHAEGCKFNJ-UHFFFAOYSA-N 2 0 303.475 3.618 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171110255 1030989657 /nfs/dbraw/zinc/98/96/57/1030989657.db2.gz MGBNRLRZRQISSI-OKZBNKHCSA-N 2 0 306.881 3.660 20 0 DHADRP C[N@H+](Cc1csc(C2CCCCC2)n1)C1CCC([NH3+])CC1 ZINC000844220283 1030996362 /nfs/dbraw/zinc/99/63/62/1030996362.db2.gz CNOUSYDTEPTEJB-UHFFFAOYSA-N 2 0 307.507 3.893 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926949284 1031012882 /nfs/dbraw/zinc/01/28/82/1031012882.db2.gz MKQDPMCYPAASAG-WMHQRMGPSA-N 2 0 318.427 3.818 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000261535160 1031032609 /nfs/dbraw/zinc/03/26/09/1031032609.db2.gz PWGAYEPKWOSMIC-UHFFFAOYSA-N 2 0 324.468 3.697 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927033526 1031042819 /nfs/dbraw/zinc/04/28/19/1031042819.db2.gz SZVDSSCNBBVBDF-PSBWJHGTSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[C@@H]1[NH3+] ZINC000261644338 1031043197 /nfs/dbraw/zinc/04/31/97/1031043197.db2.gz ANSZNGRIYDNWBH-LIRRHRJNSA-N 2 0 314.404 3.787 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000927035488 1031043742 /nfs/dbraw/zinc/04/37/42/1031043742.db2.gz AJEVLOIRBZXZFX-VDUSKEEQSA-N 2 0 314.473 3.766 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000927038878 1031046041 /nfs/dbraw/zinc/04/60/41/1031046041.db2.gz RNBYJVNYDCHHFJ-UHFFFAOYSA-N 2 0 300.437 3.807 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1N(C)C ZINC000927038588 1031047217 /nfs/dbraw/zinc/04/72/17/1031047217.db2.gz PKUWVHJLKIGOGO-ZRZPHAQCSA-N 2 0 315.505 3.810 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)nc1 ZINC000927039931 1031048397 /nfs/dbraw/zinc/04/83/97/1031048397.db2.gz XXMAOYRCFCRHDR-BZOOQXSSSA-N 2 0 307.869 3.793 20 0 DHADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593523 1031051005 /nfs/dbraw/zinc/05/10/05/1031051005.db2.gz RZTAEHGCRQGBNS-OXQOHEQNSA-N 2 0 309.457 3.884 20 0 DHADRP CC(C)O[C@@H](CN(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000292526990 1031053747 /nfs/dbraw/zinc/05/37/47/1031053747.db2.gz OSWIFDMLJDRQSC-FQEVSTJZSA-N 2 0 318.505 3.957 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000261959760 1031085245 /nfs/dbraw/zinc/08/52/45/1031085245.db2.gz PBBDIDOJFOTOJT-ZDUSSCGKSA-N 2 0 322.880 3.688 20 0 DHADRP Cc1cc(C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c(C)o1 ZINC000123334187 1031097405 /nfs/dbraw/zinc/09/74/05/1031097405.db2.gz SWIJZSDSJYBTLN-OAHLLOKOSA-N 2 0 313.445 3.607 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286854752 1031106617 /nfs/dbraw/zinc/10/66/17/1031106617.db2.gz AQSMCEKNGWWTLC-YTQUADARSA-N 2 0 318.530 3.630 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171131595 1031201625 /nfs/dbraw/zinc/20/16/25/1031201625.db2.gz YAOFUYYYJYWBAG-SFHVURJKSA-N 2 0 306.881 3.615 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC000162529831 1031227688 /nfs/dbraw/zinc/22/76/88/1031227688.db2.gz MDDFBJZBVKAZQC-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP c1ccc(N2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)cc1 ZINC000292894646 1031239314 /nfs/dbraw/zinc/23/93/14/1031239314.db2.gz DEBWFHFZRQZRER-UHFFFAOYSA-N 2 0 315.505 3.511 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000536653013 1031355530 /nfs/dbraw/zinc/35/55/30/1031355530.db2.gz RERKDZIVYYFBJU-UHFFFAOYSA-N 2 0 311.473 3.787 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)[C@@H](C)C1 ZINC000536660311 1031368136 /nfs/dbraw/zinc/36/81/36/1031368136.db2.gz DVIXDZVFJILFCS-YJBOKZPZSA-N 2 0 316.489 3.562 20 0 DHADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(SC(F)F)cc1)C2 ZINC000844902636 1031389793 /nfs/dbraw/zinc/38/97/93/1031389793.db2.gz UJHYZXCNYIVRMW-BBRMVZONSA-N 2 0 312.429 3.562 20 0 DHADRP CC(C)CCn1cccc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000536696295 1031400640 /nfs/dbraw/zinc/40/06/40/1031400640.db2.gz SQPBJNQVFIRAHC-LJQANCHMSA-N 2 0 317.521 3.698 20 0 DHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(SC(F)F)cc1 ZINC000844920446 1031401259 /nfs/dbraw/zinc/40/12/59/1031401259.db2.gz BRCSKNVKQFXJBX-LLVKDONJSA-N 2 0 300.418 3.781 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000844923290 1031402272 /nfs/dbraw/zinc/40/22/72/1031402272.db2.gz HOXGFGIAMRMMFV-INIZCTEOSA-N 2 0 320.408 3.750 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)[C@H]1CCCOC1 ZINC000872025607 1031409683 /nfs/dbraw/zinc/40/96/83/1031409683.db2.gz QADQOCHSISLZDM-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)s2)cc1 ZINC000666855180 1031420396 /nfs/dbraw/zinc/42/03/96/1031420396.db2.gz CJVRYEHKMSGDOT-INIZCTEOSA-N 2 0 300.471 3.955 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872040742 1031425991 /nfs/dbraw/zinc/42/59/91/1031425991.db2.gz MVYUBCGQJFSSPJ-LPHOPBHVSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872042640 1031428145 /nfs/dbraw/zinc/42/81/45/1031428145.db2.gz QSDJMUOKINRQIM-UGXKVIGPSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000536846200 1031455025 /nfs/dbraw/zinc/45/50/25/1031455025.db2.gz REROCVUJVPNDOG-IXDOHACOSA-N 2 0 300.490 3.914 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000536908139 1031474962 /nfs/dbraw/zinc/47/49/62/1031474962.db2.gz FOXQKOHVGMQPJH-LESCRADOSA-N 2 0 324.896 3.817 20 0 DHADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc([C@H](C)[NH3+])cc3)c2c1 ZINC001171170285 1031501298 /nfs/dbraw/zinc/50/12/98/1031501298.db2.gz WQMMQNHPAMFSBA-CABCVRRESA-N 2 0 307.441 3.848 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000872108599 1031501270 /nfs/dbraw/zinc/50/12/70/1031501270.db2.gz AODUSAXQSFUKDN-CJGGRQNCSA-N 2 0 320.521 3.577 20 0 DHADRP Clc1ccc(C2=CCN(CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001204869519 1031530759 /nfs/dbraw/zinc/53/07/59/1031530759.db2.gz BCOICPYPEJEKMI-SFHVURJKSA-N 2 0 304.865 3.961 20 0 DHADRP FC(F)(F)c1coc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000872143085 1031533029 /nfs/dbraw/zinc/53/30/29/1031533029.db2.gz LHRZBRAEVADJCX-STQMWFEESA-N 2 0 316.367 3.510 20 0 DHADRP FC(F)(F)c1coc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000872143084 1031533393 /nfs/dbraw/zinc/53/33/93/1031533393.db2.gz LHRZBRAEVADJCX-QWHCGFSZSA-N 2 0 316.367 3.510 20 0 DHADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155290 1031535432 /nfs/dbraw/zinc/53/54/32/1031535432.db2.gz QNBWRQTWYAOJDU-INIZCTEOSA-N 2 0 319.493 3.588 20 0 DHADRP Cc1csc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872155894 1031536697 /nfs/dbraw/zinc/53/66/97/1031536697.db2.gz AGXCDMWLYOIKDA-GDBMZVCRSA-N 2 0 307.507 3.571 20 0 DHADRP C[C@H]([NH2+]CCCC1CC[NH2+]CC1)c1ccc(C(F)(F)F)nc1 ZINC000872154805 1031537070 /nfs/dbraw/zinc/53/70/70/1031537070.db2.gz ATHCHZGOUMBLOV-LBPRGKRZSA-N 2 0 315.383 3.531 20 0 DHADRP Cc1ncccc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157243 1031541727 /nfs/dbraw/zinc/54/17/27/1031541727.db2.gz NUBMGVBYJOBZRK-QFBILLFUSA-N 2 0 301.478 3.510 20 0 DHADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1)C1CCCC1 ZINC000872157445 1031541765 /nfs/dbraw/zinc/54/17/65/1031541765.db2.gz OQLCWIVDGIZEQY-PBHICJAKSA-N 2 0 317.477 3.672 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293623280 1031544311 /nfs/dbraw/zinc/54/43/11/1031544311.db2.gz FXMXIOHFPPXQHN-IEBWSBKVSA-N 2 0 304.478 3.618 20 0 DHADRP CC1(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC001204869690 1031575673 /nfs/dbraw/zinc/57/56/73/1031575673.db2.gz GOGKEYHAMRZRAK-UHFFFAOYSA-N 2 0 304.865 3.819 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000537406528 1031593596 /nfs/dbraw/zinc/59/35/96/1031593596.db2.gz IBEDXFRRIJTXQA-ZSYWTGECSA-N 2 0 310.526 3.680 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cnc(-c3ccccc3)o2)C1 ZINC000929747277 1031595904 /nfs/dbraw/zinc/59/59/04/1031595904.db2.gz CPDLQAAHRLGODO-INIZCTEOSA-N 2 0 313.445 3.505 20 0 DHADRP Cc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000399752389 1031707053 /nfs/dbraw/zinc/70/70/53/1031707053.db2.gz NTILDUYQCOWORG-RXVVDRJESA-N 2 0 323.484 3.575 20 0 DHADRP c1cc([C@@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)cs1 ZINC000873202973 1031758272 /nfs/dbraw/zinc/75/82/72/1031758272.db2.gz KHFXHAPPPLMLBM-HNNXBMFYSA-N 2 0 304.484 3.792 20 0 DHADRP Cc1ccc(C2([NH2+]Cc3cc4c(s3)CC[NH2+]C4)CCC2)cc1 ZINC000873213504 1031760048 /nfs/dbraw/zinc/76/00/48/1031760048.db2.gz FXVHGGZMTBJKKN-UHFFFAOYSA-N 2 0 312.482 3.871 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c(C)s1 ZINC000873211914 1031761818 /nfs/dbraw/zinc/76/18/18/1031761818.db2.gz HBEIRQHYASJUFB-LLVKDONJSA-N 2 0 306.500 3.923 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000873219628 1031763530 /nfs/dbraw/zinc/76/35/30/1031763530.db2.gz AXNXXIHNWBBQSV-CHWSQXEVSA-N 2 0 314.395 3.787 20 0 DHADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873222734 1031764337 /nfs/dbraw/zinc/76/43/37/1031764337.db2.gz BUIVAYKJXVPSLH-KRWDZBQOSA-N 2 0 309.523 3.539 20 0 DHADRP Fc1cc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc(F)c1F ZINC000873232793 1031766274 /nfs/dbraw/zinc/76/62/74/1031766274.db2.gz MLZZXRDYAUQHSX-OAHLLOKOSA-N 2 0 312.379 3.506 20 0 DHADRP c1cc2cc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)ccc2cn1 ZINC000873232305 1031766770 /nfs/dbraw/zinc/76/67/70/1031766770.db2.gz DXLASDNLOCUDEA-LJQANCHMSA-N 2 0 309.457 3.637 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C2CC2)cc1 ZINC000873244539 1031772868 /nfs/dbraw/zinc/77/28/68/1031772868.db2.gz MQTDPXJAJBMWNW-SJLPKXTDSA-N 2 0 302.462 3.514 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000873250279 1031773365 /nfs/dbraw/zinc/77/33/65/1031773365.db2.gz GDLANLYFKHHAIC-RZAIGCCYSA-N 2 0 318.823 3.895 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000873254267 1031774004 /nfs/dbraw/zinc/77/40/04/1031774004.db2.gz OWXAGVRWMCECFQ-QHAWAJNXSA-N 2 0 308.469 3.557 20 0 DHADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873252363 1031774161 /nfs/dbraw/zinc/77/41/61/1031774161.db2.gz OGXBIHZOXXVORC-KDOFPFPSSA-N 2 0 324.415 3.513 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc2cc(Br)ccc2o1 ZINC000873250946 1031774637 /nfs/dbraw/zinc/77/46/37/1031774637.db2.gz JWBFNUBLDXQMIK-BREBYQMCSA-N 2 0 323.234 3.583 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254565 1031774699 /nfs/dbraw/zinc/77/46/99/1031774699.db2.gz WZSUOIJNTREISC-QRQLOZEOSA-N 2 0 316.489 3.680 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1OCc1ccccc1 ZINC000873255597 1031775218 /nfs/dbraw/zinc/77/52/18/1031775218.db2.gz IAJCAQBKGSWEJC-RYQLBKOJSA-N 2 0 310.441 3.654 20 0 DHADRP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873252906 1031775318 /nfs/dbraw/zinc/77/53/18/1031775318.db2.gz SHQNPLLOPGSDDK-AALSBFMBSA-N 2 0 316.411 3.641 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000873252473 1031775851 /nfs/dbraw/zinc/77/58/51/1031775851.db2.gz SNHSHLZPDFFRAN-HNJNHCNJSA-N 2 0 318.823 3.895 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000873257786 1031777386 /nfs/dbraw/zinc/77/73/86/1031777386.db2.gz XLONPPJHFWCQRS-SLEUVZQESA-N 2 0 304.434 3.942 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260745 1031779388 /nfs/dbraw/zinc/77/93/88/1031779388.db2.gz GWCSYCWMOLOXQS-ZSXDVEMLSA-N 2 0 313.489 3.536 20 0 DHADRP Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263869 1031780118 /nfs/dbraw/zinc/78/01/18/1031780118.db2.gz MDORITLHFRUKDI-UMPJEAMMSA-N 2 0 320.864 3.674 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260743 1031780481 /nfs/dbraw/zinc/78/04/81/1031780481.db2.gz GWCSYCWMOLOXQS-IEWDOMPSSA-N 2 0 313.489 3.536 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000873267865 1031780995 /nfs/dbraw/zinc/78/09/95/1031780995.db2.gz KXEAJKRGKSXSKP-HZPDHXFCSA-N 2 0 309.457 3.787 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000873269990 1031782024 /nfs/dbraw/zinc/78/20/24/1031782024.db2.gz VZAFVYMSJFTDAN-QWHCGFSZSA-N 2 0 314.395 3.614 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)c2ccccc21 ZINC000873276715 1031784053 /nfs/dbraw/zinc/78/40/53/1031784053.db2.gz WEAVKXYMDCTNHA-NJDAHSKKSA-N 2 0 321.468 3.917 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC001246581118 1031841190 /nfs/dbraw/zinc/84/11/90/1031841190.db2.gz PNFSWQJKNYWAHD-GFCCVEGCSA-N 2 0 315.288 3.985 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000294199789 1031868721 /nfs/dbraw/zinc/86/87/21/1031868721.db2.gz KRJJENWOHGQSLD-IRXDYDNUSA-N 2 0 304.478 3.567 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000846181918 1031913410 /nfs/dbraw/zinc/91/34/10/1031913410.db2.gz JDUBELPDZHTVIS-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000036907778 1031928303 /nfs/dbraw/zinc/92/83/03/1031928303.db2.gz MQVLRQWHJWHBNA-WQGACYEGSA-N 2 0 315.288 3.854 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1CC(C)(C[NH3+])C1 ZINC001246589944 1031957905 /nfs/dbraw/zinc/95/79/05/1031957905.db2.gz QAAPVODMBWKCIP-NSHDSACASA-N 2 0 301.261 3.595 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C[C@@](C)(C[NH3+])C1 ZINC001172647981 1033302419 /nfs/dbraw/zinc/30/24/19/1033302419.db2.gz QFOZQNXTHPZQGK-IFXJQAMLSA-N 2 0 310.526 3.856 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC001172716410 1033322807 /nfs/dbraw/zinc/32/28/07/1033322807.db2.gz PGSUFMDOLLGIMN-XWIAVFTESA-N 2 0 306.881 3.516 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000643521510 1033331257 /nfs/dbraw/zinc/33/12/57/1033331257.db2.gz NQCBQLIUTYKKML-CABCVRRESA-N 2 0 311.267 3.632 20 0 DHADRP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@@H]1CCC[NH2+]CC1)CCCC2 ZINC000643522032 1033337533 /nfs/dbraw/zinc/33/75/33/1033337533.db2.gz GQMNIXNAGOLCLC-IEBWSBKVSA-N 2 0 314.473 3.511 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877524969 1033337926 /nfs/dbraw/zinc/33/79/26/1033337926.db2.gz MHVYXARWWBRRPD-GFCCVEGCSA-N 2 0 323.893 3.770 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCS[C@@H](C)C3)CC2)C1 ZINC000927028921 1033339590 /nfs/dbraw/zinc/33/95/90/1033339590.db2.gz BSPZCYGUADQKCB-FZCLSBEQSA-N 2 0 310.551 3.903 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000643522363 1033339963 /nfs/dbraw/zinc/33/99/63/1033339963.db2.gz LZPCABCQVPBPPZ-UKRRQHHQSA-N 2 0 310.869 3.920 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(N2CCCC2)c1 ZINC000539380451 1033340279 /nfs/dbraw/zinc/34/02/79/1033340279.db2.gz SONGWYUYMLTNNV-MJGOQNOKSA-N 2 0 315.505 3.812 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000643523113 1033347415 /nfs/dbraw/zinc/34/74/15/1033347415.db2.gz WVMAUXDWMLQITQ-AEFFLSMTSA-N 2 0 302.462 3.755 20 0 DHADRP COc1ccccc1[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523208 1033350652 /nfs/dbraw/zinc/35/06/52/1033350652.db2.gz XRIIKGXRAARRPI-LPHOPBHVSA-N 2 0 302.462 3.658 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([N@@H+](C)CC1CC[NH+](C(C)C)CC1)CC2 ZINC001172830791 1033393709 /nfs/dbraw/zinc/39/37/09/1033393709.db2.gz LDOZVGQEOYYSJV-NRFANRHFSA-N 2 0 314.517 3.905 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172837023 1033399655 /nfs/dbraw/zinc/39/96/55/1033399655.db2.gz YDWSIMTYDJWFRL-YLJYHZDGSA-N 2 0 302.506 3.952 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001172868192 1033406897 /nfs/dbraw/zinc/40/68/97/1033406897.db2.gz SHWIDKMMHNRHLR-ZDUSSCGKSA-N 2 0 312.860 3.684 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172867840 1033407715 /nfs/dbraw/zinc/40/77/15/1033407715.db2.gz AKEUYOZNXAYHIZ-CQSZACIVSA-N 2 0 324.871 3.828 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC[NH+](C)CC3)CC1)CC2 ZINC001172842717 1033412598 /nfs/dbraw/zinc/41/25/98/1033412598.db2.gz KTUMAWQYBWRFLX-FQEVSTJZSA-N 2 0 312.501 3.660 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CCc2ccc(O)cc2)CC1 ZINC000877697667 1033413389 /nfs/dbraw/zinc/41/33/89/1033413389.db2.gz QKLWPJHEFVUWLW-QGZVFWFLSA-N 2 0 318.505 3.813 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(O)c1F ZINC000927039696 1033413676 /nfs/dbraw/zinc/41/36/76/1033413676.db2.gz VSICAQNLQDRZPI-WRSVWVKZSA-N 2 0 306.425 3.589 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000151129682 1033419422 /nfs/dbraw/zinc/41/94/22/1033419422.db2.gz QPHFCBGDKGQEPW-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711566 1033420367 /nfs/dbraw/zinc/42/03/67/1033420367.db2.gz PEMAQCQWXFDBNW-LSJNQWAISA-N 2 0 304.478 3.566 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[NH+]1CCCCC1 ZINC001172857580 1033425711 /nfs/dbraw/zinc/42/57/11/1033425711.db2.gz XBBVHMWHLIYOER-CQSZACIVSA-N 2 0 312.860 3.876 20 0 DHADRP CCc1cnc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000877767632 1033441889 /nfs/dbraw/zinc/44/18/89/1033441889.db2.gz QMNOEYCFHODAMN-UHFFFAOYSA-N 2 0 309.523 3.505 20 0 DHADRP Cc1cc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC000478261259 1033442083 /nfs/dbraw/zinc/44/20/83/1033442083.db2.gz OYUVTQYGDYLDJD-GOSISDBHSA-N 2 0 315.848 3.714 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001172874706 1033446278 /nfs/dbraw/zinc/44/62/78/1033446278.db2.gz ICFAIBUKMAIHDA-DZGCQCFKSA-N 2 0 312.910 3.895 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001172874708 1033446488 /nfs/dbraw/zinc/44/64/88/1033446488.db2.gz ICFAIBUKMAIHDA-HIFRSBDPSA-N 2 0 312.910 3.895 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534277 1033462690 /nfs/dbraw/zinc/46/26/90/1033462690.db2.gz PIUOSVLUFQPMBX-DGCLKSJQSA-N 2 0 307.507 3.542 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534464 1033466234 /nfs/dbraw/zinc/46/62/34/1033466234.db2.gz VQTSVGCWCDHNIN-CRAIPNDOSA-N 2 0 302.462 3.514 20 0 DHADRP Fc1ccccc1[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CCCC1 ZINC000643536054 1033472167 /nfs/dbraw/zinc/47/21/67/1033472167.db2.gz QSFXXPMFNLQEKQ-QZTJIDSGSA-N 2 0 302.437 3.789 20 0 DHADRP CO[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001172930277 1033475571 /nfs/dbraw/zinc/47/55/71/1033475571.db2.gz RKANRDNHLQFCCS-IRXDYDNUSA-N 2 0 322.880 3.547 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC001172938564 1033476883 /nfs/dbraw/zinc/47/68/83/1033476883.db2.gz LYPNKRDDGZYYEZ-UXHICEINSA-N 2 0 316.489 3.540 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC001173040195 1033506975 /nfs/dbraw/zinc/50/69/75/1033506975.db2.gz YWYAGCYAULAPFO-UHFFFAOYSA-N 2 0 316.489 3.577 20 0 DHADRP C[N@H+](CCCOc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000478535327 1033509424 /nfs/dbraw/zinc/50/94/24/1033509424.db2.gz GTWOFUCLKDGHLX-GOSISDBHSA-N 2 0 312.457 3.683 20 0 DHADRP C([C@@H]1C[C@@H]2CCC[C@H]2O1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877958686 1033531630 /nfs/dbraw/zinc/53/16/30/1033531630.db2.gz DFHUIZOPXKLTKF-SLFFLAALSA-N 2 0 320.521 3.532 20 0 DHADRP C([C@@H]1C[C@H]2CCC[C@H]2O1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877958684 1033531700 /nfs/dbraw/zinc/53/17/00/1033531700.db2.gz DFHUIZOPXKLTKF-HSALFYBXSA-N 2 0 320.521 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCOCc2ccccc2)CC1 ZINC001173104007 1033540228 /nfs/dbraw/zinc/54/02/28/1033540228.db2.gz ZXCNFEWFAXUOAX-UHFFFAOYSA-N 2 0 318.505 3.836 20 0 DHADRP CCOc1ccc(C[NH2+]C2CCC([NH+](CC)CC)CC2)cc1 ZINC001173104715 1033542709 /nfs/dbraw/zinc/54/27/09/1033542709.db2.gz LQAAUKSFGZPASK-UHFFFAOYSA-N 2 0 304.478 3.828 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001173104110 1033543084 /nfs/dbraw/zinc/54/30/84/1033543084.db2.gz JHXJYMBAKKZUAC-IVMQYODDSA-N 2 0 318.505 3.956 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)c2ccc(C)cn2)CC1 ZINC001173105732 1033543482 /nfs/dbraw/zinc/54/34/82/1033543482.db2.gz CRMLUELMKIJTHW-UHFFFAOYSA-N 2 0 317.521 3.910 20 0 DHADRP CC[NH+](CC)C1CCC(N(C(N)=[NH2+])c2ccc(Cl)cc2)CC1 ZINC001173106725 1033543710 /nfs/dbraw/zinc/54/37/10/1033543710.db2.gz QWDTUDJKNWDGSB-UHFFFAOYSA-N 2 0 322.884 3.693 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccc(F)cc2F)CC1 ZINC001173107026 1033545308 /nfs/dbraw/zinc/54/53/08/1033545308.db2.gz GBXABCRHCHKUBV-UHFFFAOYSA-N 2 0 310.432 3.750 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](c2ncccc2F)C2CC2)CC1 ZINC001173110710 1033545690 /nfs/dbraw/zinc/54/56/90/1033545690.db2.gz SCHQLDDXZSOJDY-HTWSVDAQSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC001173110040 1033545884 /nfs/dbraw/zinc/54/58/84/1033545884.db2.gz NICMWQPQASOLIS-SOAGJPPSSA-N 2 0 316.489 3.713 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[C@@H]([NH+](CC)CC)CC2)CC1 ZINC001173108566 1033546360 /nfs/dbraw/zinc/54/63/60/1033546360.db2.gz NHUZVLIYFZHCMW-ZRBGYOJFSA-N 3 0 323.569 3.882 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC001173115248 1033548064 /nfs/dbraw/zinc/54/80/64/1033548064.db2.gz ZZKZYYSYLBCDOU-SOAGJPPSSA-N 2 0 315.505 3.742 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCc2ccc(F)cc2)CC1 ZINC001173115167 1033548404 /nfs/dbraw/zinc/54/84/04/1033548404.db2.gz XLGPNDNITRBBSQ-UHFFFAOYSA-N 2 0 306.469 3.953 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001173113301 1033548913 /nfs/dbraw/zinc/54/89/13/1033548913.db2.gz MSLXLQWBNQDDCW-UHFFFAOYSA-N 2 0 304.453 3.837 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC(c3cccnc3)CC2)CC1 ZINC001173113011 1033549096 /nfs/dbraw/zinc/54/90/96/1033549096.db2.gz GRCPXCYFUCJPSH-UHFFFAOYSA-N 2 0 315.505 3.914 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878105993 1033581310 /nfs/dbraw/zinc/58/13/10/1033581310.db2.gz FDJIFUAYRKRSBV-GUDVDZBRSA-N 2 0 320.521 3.675 20 0 DHADRP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(OC)cc3)CC2)C1 ZINC001173268169 1033638099 /nfs/dbraw/zinc/63/80/99/1033638099.db2.gz AKVZRRPANAPZDH-FUHWJXTLSA-N 2 0 316.489 3.610 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001173237615 1033645176 /nfs/dbraw/zinc/64/51/76/1033645176.db2.gz CTHZUKZPXDHBAD-MRXNPFEDSA-N 2 0 300.490 3.644 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411396 1033695079 /nfs/dbraw/zinc/69/50/79/1033695079.db2.gz JFECUHBEMCTPRE-ULQDDVLXSA-N 2 0 322.537 3.823 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000553463411 1033708082 /nfs/dbraw/zinc/70/80/82/1033708082.db2.gz HSNOWYDPHNBFTQ-ICSRJNTNSA-N 2 0 318.505 3.530 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)C[C@](C)(C[NH3+])C1 ZINC001173473644 1033734109 /nfs/dbraw/zinc/73/41/09/1033734109.db2.gz GVLVTYLKDLGVNG-BEFAXECRSA-N 2 0 322.443 3.565 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476666 1033737906 /nfs/dbraw/zinc/73/79/06/1033737906.db2.gz ZPRZKRLMCDIGQW-KOMQPUFPSA-N 2 0 320.427 3.556 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000479460508 1033767071 /nfs/dbraw/zinc/76/70/71/1033767071.db2.gz KZLLPZHADDYHGJ-QGZVFWFLSA-N 2 0 310.432 3.983 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(CC)CC ZINC000479545027 1033803851 /nfs/dbraw/zinc/80/38/51/1033803851.db2.gz OHAPZFJEUWHHSH-OPQOLIRYSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000479554658 1033811912 /nfs/dbraw/zinc/81/19/12/1033811912.db2.gz MKGUKJDKTAOOMQ-LCLWPZTBSA-N 2 0 300.490 3.923 20 0 DHADRP Cc1ccccc1CN1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000173949436 1033894464 /nfs/dbraw/zinc/89/44/64/1033894464.db2.gz VSMMASOPXJLEQY-QGZVFWFLSA-N 2 0 309.457 3.705 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccncc1 ZINC000174020066 1033899806 /nfs/dbraw/zinc/89/98/06/1033899806.db2.gz JQPBQJKCDWWKEW-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479864088 1033938417 /nfs/dbraw/zinc/93/84/17/1033938417.db2.gz HKNYSZCNDQXWKK-BXWFABGCSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]1C[N@H+](CCc2ccc(C(F)(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205985191 1033961060 /nfs/dbraw/zinc/96/10/60/1033961060.db2.gz WNVTVWHQRLNSTL-DZGCQCFKSA-N 2 0 314.395 3.555 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](CC[C@@H]1CCCC1(F)F)CC2 ZINC000879250471 1033964379 /nfs/dbraw/zinc/96/43/79/1033964379.db2.gz FTJNONQLYADNDK-HNNXBMFYSA-N 2 0 300.437 3.620 20 0 DHADRP Cc1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480087850 1034056012 /nfs/dbraw/zinc/05/60/12/1034056012.db2.gz ZHWRZNRCDNWSRJ-CTNGQTDRSA-N 2 0 321.468 3.881 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000879732342 1034101405 /nfs/dbraw/zinc/10/14/05/1034101405.db2.gz RIYSOEDJCYJLFF-ROUUACIJSA-N 2 0 316.489 3.749 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000879732343 1034102816 /nfs/dbraw/zinc/10/28/16/1034102816.db2.gz RIYSOEDJCYJLFF-ZWKOTPCHSA-N 2 0 316.489 3.749 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480174732 1034112981 /nfs/dbraw/zinc/11/29/81/1034112981.db2.gz BBFBMFWPGZZBEY-KFWWJZLASA-N 2 0 324.431 3.587 20 0 DHADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(SC(F)F)cc1 ZINC000863542614 1034124492 /nfs/dbraw/zinc/12/44/92/1034124492.db2.gz QZHDJFVCWOYBMQ-SMDDNHRTSA-N 2 0 312.429 3.937 20 0 DHADRP COC[C@H](C)[N@H+](CCCCCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000863574043 1034131423 /nfs/dbraw/zinc/13/14/23/1034131423.db2.gz ZTSGFXSXLPOSOK-QFBILLFUSA-N 2 0 304.478 3.530 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000480235600 1034144916 /nfs/dbraw/zinc/14/49/16/1034144916.db2.gz SZOOUEWXRGKPOQ-IXDOHACOSA-N 2 0 318.505 3.820 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2)c1 ZINC000177298145 1034150098 /nfs/dbraw/zinc/15/00/98/1034150098.db2.gz ZUUDJBOTBCZWSS-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000863654489 1034163122 /nfs/dbraw/zinc/16/31/22/1034163122.db2.gz YBKCVFIZNYPREE-DZJNRPSUSA-N 2 0 304.865 3.838 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480290715 1034182850 /nfs/dbraw/zinc/18/28/50/1034182850.db2.gz QRQDJFFUNIFUPL-UHFFFAOYSA-N 2 0 318.367 3.576 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178032125 1034202084 /nfs/dbraw/zinc/20/20/84/1034202084.db2.gz ZNDKBUNXDMLCCY-DMPWYTOCSA-N 2 0 324.534 3.585 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178032113 1034203027 /nfs/dbraw/zinc/20/30/27/1034203027.db2.gz ZNDKBUNXDMLCCY-MCFFVMPBSA-N 2 0 324.534 3.585 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000480443375 1034251975 /nfs/dbraw/zinc/25/19/75/1034251975.db2.gz VGIJBSBSOSBDPR-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H](CC[NH+]1CCC(C)([NH+]2CCC2)CC1)OCc1ccccc1 ZINC000880473740 1034342763 /nfs/dbraw/zinc/34/27/63/1034342763.db2.gz MPGGIJPOYWGKOK-SFHVURJKSA-N 2 0 316.489 3.542 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cncc2ccccc21 ZINC000880517420 1034349167 /nfs/dbraw/zinc/34/91/67/1034349167.db2.gz QZSGKWHGKFYQFE-UHFFFAOYSA-N 2 0 311.473 3.933 20 0 DHADRP COc1cccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000183199124 1034360272 /nfs/dbraw/zinc/36/02/72/1034360272.db2.gz CTNBNBBTKZEFGK-JFIYKMOQSA-N 2 0 316.489 3.999 20 0 DHADRP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000927159688 1034364412 /nfs/dbraw/zinc/36/44/12/1034364412.db2.gz QCUFMLUZVNWAFX-CRAIPNDOSA-N 2 0 302.462 3.501 20 0 DHADRP Fc1ccc(CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000480659837 1034377563 /nfs/dbraw/zinc/37/75/63/1034377563.db2.gz GMEZTWAVBMHQCF-HOTGVXAUSA-N 2 0 308.416 3.504 20 0 DHADRP COC1(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC000480666667 1034378010 /nfs/dbraw/zinc/37/80/10/1034378010.db2.gz JQNFIHFPMDNWGW-UHFFFAOYSA-N 2 0 316.489 3.721 20 0 DHADRP CC[N@@H+]1CC[C@H](CNCc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000480669400 1034381921 /nfs/dbraw/zinc/38/19/21/1034381921.db2.gz NQZKYJTXHMAZDU-CYBMUJFWSA-N 2 0 320.383 3.656 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCCCC1 ZINC000480679185 1034396756 /nfs/dbraw/zinc/39/67/56/1034396756.db2.gz JFSKJVNIHLWCEX-HKUYNNGSSA-N 2 0 322.537 3.968 20 0 DHADRP CC(C)[N@H+](C)CC1CCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000554938441 1034431373 /nfs/dbraw/zinc/43/13/73/1034431373.db2.gz HYDRGMZDVCJUKQ-UHFFFAOYSA-N 2 0 307.482 3.524 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000554993711 1034450629 /nfs/dbraw/zinc/45/06/29/1034450629.db2.gz DMVROVJFLKULCI-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP COCCCCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184741650 1034498836 /nfs/dbraw/zinc/49/88/36/1034498836.db2.gz HRSAPRXWSQWVDE-QZTJIDSGSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000186470014 1034632201 /nfs/dbraw/zinc/63/22/01/1034632201.db2.gz INYXWTFPKVKYNX-IXDOHACOSA-N 2 0 304.503 3.692 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000481183816 1034637374 /nfs/dbraw/zinc/63/73/74/1034637374.db2.gz SOKHRVUXOMKPNM-LPHOPBHVSA-N 2 0 318.480 3.957 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000865451264 1034654635 /nfs/dbraw/zinc/65/46/35/1034654635.db2.gz LAGNCXPPDWMAAA-UHFFFAOYSA-N 2 0 309.523 3.652 20 0 DHADRP CCc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364300 1034655761 /nfs/dbraw/zinc/65/57/61/1034655761.db2.gz GNULGKJCGOYDCU-PKOBYXMFSA-N 2 0 315.505 3.730 20 0 DHADRP CCCC[N@H+](CCOCC1CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174985107 1034746000 /nfs/dbraw/zinc/74/60/00/1034746000.db2.gz WJIMQVSBURWMMS-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP CCCC[N@H+](Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984104 1034746749 /nfs/dbraw/zinc/74/67/49/1034746749.db2.gz NCYUTXKJVGEIJE-UHFFFAOYSA-N 2 0 303.494 3.993 20 0 DHADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCc2cccnc21 ZINC000481344625 1034768431 /nfs/dbraw/zinc/76/84/31/1034768431.db2.gz SRMKWHYMNMNELD-OALUTQOASA-N 2 0 315.505 3.901 20 0 DHADRP CN1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[C@@H]1c1cccs1 ZINC000667873270 1034795572 /nfs/dbraw/zinc/79/55/72/1034795572.db2.gz XEJMUMKIUOEQAK-KCYAQADSSA-N 2 0 304.503 3.909 20 0 DHADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000192519687 1034806788 /nfs/dbraw/zinc/80/67/88/1034806788.db2.gz UDBUHWHQDIIVEL-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000192785206 1034818928 /nfs/dbraw/zinc/81/89/28/1034818928.db2.gz BROUKDBVQSHHBV-HXUWFJFHSA-N 2 0 317.521 3.534 20 0 DHADRP c1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)c2c([nH+]1)CCC2 ZINC001175362239 1034952691 /nfs/dbraw/zinc/95/26/91/1034952691.db2.gz INNIEYJZHJATMU-UHFFFAOYSA-N 2 0 307.441 3.722 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[NH+]1CCCC1 ZINC000481910546 1035032945 /nfs/dbraw/zinc/03/29/45/1035032945.db2.gz AVPTZGOAHKRTIU-AWEZNQCLSA-N 2 0 314.395 3.712 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)C[NH+](C)C ZINC000481932960 1035036474 /nfs/dbraw/zinc/03/64/74/1035036474.db2.gz PNZQSAKJTPNSEE-CYBMUJFWSA-N 2 0 316.411 3.814 20 0 DHADRP CCCc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000482148518 1035060164 /nfs/dbraw/zinc/06/01/64/1035060164.db2.gz SQZIGJGFWBFFBU-IBGZPJMESA-N 2 0 311.473 3.827 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1coc(-c2ccccc2)n1 ZINC000567889899 1035062858 /nfs/dbraw/zinc/06/28/58/1035062858.db2.gz IUGJAOYBEMZMNU-WBVHZDCISA-N 2 0 313.445 3.742 20 0 DHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(C)C)CC1 ZINC000482557265 1035134434 /nfs/dbraw/zinc/13/44/34/1035134434.db2.gz KAJRUPZYLHCEGC-HZPDHXFCSA-N 2 0 321.484 3.663 20 0 DHADRP COCC1([N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC001175966039 1035168098 /nfs/dbraw/zinc/16/80/98/1035168098.db2.gz WULYKBBJFCGVBT-UHFFFAOYSA-N 2 0 316.489 3.673 20 0 DHADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000902487579 1035221733 /nfs/dbraw/zinc/22/17/33/1035221733.db2.gz KPWYULGYFDORHD-NQMVMOMDSA-N 2 0 305.274 3.759 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000483178507 1035237021 /nfs/dbraw/zinc/23/70/21/1035237021.db2.gz AIYOEMSUWAHRHJ-SUMWQHHRSA-N 2 0 310.457 3.851 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000483186438 1035240179 /nfs/dbraw/zinc/24/01/79/1035240179.db2.gz QGSUDRNXDUENLD-QZTJIDSGSA-N 2 0 304.478 3.639 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000483186441 1035240231 /nfs/dbraw/zinc/24/02/31/1035240231.db2.gz QGSUDRNXDUENLD-ZWKOTPCHSA-N 2 0 304.478 3.639 20 0 DHADRP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379738003 1035289262 /nfs/dbraw/zinc/28/92/62/1035289262.db2.gz DAJYODSBPDSOPS-UWJYYQICSA-N 2 0 324.443 3.925 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000483717220 1035292457 /nfs/dbraw/zinc/29/24/57/1035292457.db2.gz YWHMAWYHHNFNHH-HRAATJIYSA-N 2 0 324.468 3.792 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CC(C)C)CCC2)[C@H](C)C1 ZINC000484509752 1035350622 /nfs/dbraw/zinc/35/06/22/1035350622.db2.gz TWERDOXYIXBKDZ-RTBURBONSA-N 2 0 324.553 3.929 20 0 DHADRP CC[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000484495734 1035352921 /nfs/dbraw/zinc/35/29/21/1035352921.db2.gz GHCQUYUVWDJQMI-GJJHYRHESA-N 2 0 300.490 3.921 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]C/C=C\c2ccc(F)cc2F)c1 ZINC001177231641 1035358520 /nfs/dbraw/zinc/35/85/20/1035358520.db2.gz YUUYCUJEYQCBDE-DAXSKMNVSA-N 2 0 316.395 3.829 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@H](C)C3)cc2)C1 ZINC001177257257 1035360375 /nfs/dbraw/zinc/36/03/75/1035360375.db2.gz UATUOJFLEWGSJD-HLIPFELVSA-N 2 0 316.489 3.576 20 0 DHADRP CNc1ccc(C)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001177299037 1035361505 /nfs/dbraw/zinc/36/15/05/1035361505.db2.gz JJEAZWLZOZKAJJ-KRWDZBQOSA-N 2 0 303.494 3.638 20 0 DHADRP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC001177319100 1035363907 /nfs/dbraw/zinc/36/39/07/1035363907.db2.gz VNZWYTNKKAVBDK-FUHWJXTLSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001206303622 1035369341 /nfs/dbraw/zinc/36/93/41/1035369341.db2.gz DZYAIUHNOBILBH-OAHLLOKOSA-N 2 0 318.358 3.795 20 0 DHADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc(C)n1 ZINC001177453496 1035369916 /nfs/dbraw/zinc/36/99/16/1035369916.db2.gz AIGHHMRARAOLFU-UHFFFAOYSA-N 2 0 323.484 3.700 20 0 DHADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001177674012 1035387092 /nfs/dbraw/zinc/38/70/92/1035387092.db2.gz HJXGMSKPAMKGCM-QFBILLFUSA-N 2 0 318.505 3.931 20 0 DHADRP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)cn1 ZINC000194980381 1035389182 /nfs/dbraw/zinc/38/91/82/1035389182.db2.gz SIQAAGZVBABKBM-INIZCTEOSA-N 2 0 314.477 3.596 20 0 DHADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000194987561 1035392394 /nfs/dbraw/zinc/39/23/94/1035392394.db2.gz NEGVLKJPSQKMCY-CQSZACIVSA-N 2 0 300.446 3.988 20 0 DHADRP [NH3+]CC1CC([NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000904362410 1035404388 /nfs/dbraw/zinc/40/43/88/1035404388.db2.gz MSJDBGVEDOMPTN-WOOZHMMNSA-N 2 0 318.823 3.895 20 0 DHADRP [NH3+]CC1CC([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)C1 ZINC000904369113 1035406679 /nfs/dbraw/zinc/40/66/79/1035406679.db2.gz YFBOHEJXWOBOLT-XOFDJMAYSA-N 2 0 318.464 3.611 20 0 DHADRP [NH3+]CC1CC([NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)C1 ZINC000904427998 1035412165 /nfs/dbraw/zinc/41/21/65/1035412165.db2.gz CYAREWPNCGDTRY-YWGOOWROSA-N 2 0 308.425 3.578 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000195134297 1035414968 /nfs/dbraw/zinc/41/49/68/1035414968.db2.gz RVUPXNCLVIXSRY-AEFFLSMTSA-N 2 0 312.432 3.998 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC001178518953 1035432752 /nfs/dbraw/zinc/43/27/52/1035432752.db2.gz FYXQCWOOWCJSHW-OALUTQOASA-N 2 0 302.506 3.964 20 0 DHADRP CC[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178823657 1035449843 /nfs/dbraw/zinc/44/98/43/1035449843.db2.gz JTPFDCMABHVJND-OALUTQOASA-N 2 0 318.505 3.933 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC1(C)C ZINC001178977811 1035455403 /nfs/dbraw/zinc/45/54/03/1035455403.db2.gz QLLGDBRBOZZTNL-ROUUACIJSA-N 2 0 304.478 3.541 20 0 DHADRP Cc1nc2ccc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)cc2o1 ZINC000904849852 1035462157 /nfs/dbraw/zinc/46/21/57/1035462157.db2.gz OXCVIGPXGWVBCG-UHFFFAOYSA-N 2 0 321.424 3.726 20 0 DHADRP C(C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)CC1CCCCC1 ZINC000668441122 1035482533 /nfs/dbraw/zinc/48/25/33/1035482533.db2.gz UPPRALYCMJXFMW-UHFFFAOYSA-N 2 0 322.537 3.828 20 0 DHADRP CCCc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001179877566 1035529212 /nfs/dbraw/zinc/52/92/12/1035529212.db2.gz HODZVEWQMVTONO-FQEVSTJZSA-N 2 0 300.490 3.947 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCOc2cccc(C)c2C)CC1 ZINC000494509467 1035532018 /nfs/dbraw/zinc/53/20/18/1035532018.db2.gz KFSGSOMOKUQQAM-UHFFFAOYSA-N 2 0 304.478 3.536 20 0 DHADRP C[C@H]1CC[N@H+](Cc2c(Cl)cc(O)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205627716 1035599060 /nfs/dbraw/zinc/59/90/60/1035599060.db2.gz RWQCSRLFLSMLFQ-WDEREUQCSA-N 2 0 317.260 3.506 20 0 DHADRP C[C@]1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCO1 ZINC001180208931 1035620219 /nfs/dbraw/zinc/62/02/19/1035620219.db2.gz UBBYIYKMFANELD-RTBURBONSA-N 2 0 308.510 3.534 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000535514434 1035663714 /nfs/dbraw/zinc/66/37/14/1035663714.db2.gz RWCHHAZSSQWRFR-IPMKNSEASA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)[NH2+]C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000191301015 1035677493 /nfs/dbraw/zinc/67/74/93/1035677493.db2.gz CPPFHNZUSKVSCV-UXHICEINSA-N 2 0 300.490 3.959 20 0 DHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000191570346 1035703291 /nfs/dbraw/zinc/70/32/91/1035703291.db2.gz UUAMPLAPNJPBSW-RTBURBONSA-N 2 0 323.569 3.597 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000191605340 1035706920 /nfs/dbraw/zinc/70/69/20/1035706920.db2.gz FWOVWDGNDNIDMD-SLFFLAALSA-N 2 0 300.490 3.718 20 0 DHADRP COCCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC001180742203 1035751792 /nfs/dbraw/zinc/75/17/92/1035751792.db2.gz WPBVRULUKJQJLW-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001180801820 1035766606 /nfs/dbraw/zinc/76/66/06/1035766606.db2.gz KOUVKTFKPACCPJ-XLIONFOSSA-N 2 0 318.505 3.558 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000494747519 1035854608 /nfs/dbraw/zinc/85/46/08/1035854608.db2.gz ICXKUDPFWAKKAL-LNLFQRSKSA-N 2 0 304.478 3.617 20 0 DHADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C[C@H]3CCc4ccccc43)C2)cc1 ZINC001181349935 1035903056 /nfs/dbraw/zinc/90/30/56/1035903056.db2.gz OCLWCITWMDOWHQ-PZJWPPBQSA-N 2 0 320.480 3.828 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168468695 1035911706 /nfs/dbraw/zinc/91/17/06/1035911706.db2.gz PPTIICVIOMWPGO-NIKGAXFTSA-N 2 0 304.453 3.739 20 0 DHADRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@@H](C)C1 ZINC001205663318 1035927526 /nfs/dbraw/zinc/92/75/26/1035927526.db2.gz HJEZCPQBWDHABZ-CYBMUJFWSA-N 2 0 307.507 3.541 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3c(cccc3O)s2)C1 ZINC001181534520 1035935078 /nfs/dbraw/zinc/93/50/78/1035935078.db2.gz MDFKLABJRNGWIJ-CJNGLKHVSA-N 2 0 316.470 3.523 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cnccc1C ZINC000540087043 1035967573 /nfs/dbraw/zinc/96/75/73/1035967573.db2.gz UHNLQOHKTREGOV-ZIFCJYIRSA-N 2 0 303.494 3.941 20 0 DHADRP COC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000540145280 1035979899 /nfs/dbraw/zinc/97/98/99/1035979899.db2.gz FNWORACWKWVQBO-RLLQIKCJSA-N 2 0 318.505 3.548 20 0 DHADRP CCc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000540171294 1035991735 /nfs/dbraw/zinc/99/17/35/1035991735.db2.gz QHUCHUSHNSMBOB-OWCLPIDISA-N 2 0 324.534 3.851 20 0 DHADRP CC[C@@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000540190649 1035998606 /nfs/dbraw/zinc/99/86/06/1035998606.db2.gz JXTMALWDSUDSHD-MOPGFXCFSA-N 2 0 317.521 3.613 20 0 DHADRP C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccccc23)[C@H]1c1ccccc1 ZINC000485984987 1036070196 /nfs/dbraw/zinc/07/01/96/1036070196.db2.gz AYTDXWIXSUCSEM-VQTJNVASSA-N 2 0 303.409 3.514 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCC(C)C)c2)[C@H](C)C1 ZINC000540481846 1036077254 /nfs/dbraw/zinc/07/72/54/1036077254.db2.gz NUPCPPRHPPCMRD-YLJYHZDGSA-N 2 0 318.505 3.884 20 0 DHADRP CC[NH+]1CCC(C[NH2+]CCc2cc3ccccc3s2)CC1 ZINC001182100101 1036101533 /nfs/dbraw/zinc/10/15/33/1036101533.db2.gz QKHGIGVPRXAEOA-UHFFFAOYSA-N 2 0 302.487 3.765 20 0 DHADRP CC[C@H](Nc1ccc(N2CC[NH+](CC)CC2)cc1C)C1CC1 ZINC000540707627 1036132693 /nfs/dbraw/zinc/13/26/93/1036132693.db2.gz LAWHWRDVXRNCRB-SFHVURJKSA-N 2 0 301.478 3.737 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000495019353 1036188995 /nfs/dbraw/zinc/18/89/95/1036188995.db2.gz PURNEVIUFWYHDX-UGUYLWEFSA-N 2 0 300.437 3.664 20 0 DHADRP Clc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250233580 1036258404 /nfs/dbraw/zinc/25/84/04/1036258404.db2.gz CBAYTMIUNPYFSM-CCRGXQTGSA-N 2 0 304.865 3.802 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000613259802 1036353656 /nfs/dbraw/zinc/35/36/56/1036353656.db2.gz FPKXRXPWOZJJDV-UHFFFAOYSA-N 2 0 306.494 3.931 20 0 DHADRP CC1(C)CC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC(C)(C)[NH2+]1 ZINC000486698594 1036363769 /nfs/dbraw/zinc/36/37/69/1036363769.db2.gz VSWRODKJVZJSOA-UHFFFAOYSA-N 2 0 303.425 3.706 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718247 1036373151 /nfs/dbraw/zinc/37/31/51/1036373151.db2.gz SYWZIHWDYITMBO-OAHLLOKOSA-N 2 0 317.452 3.765 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccsc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603143 1036384741 /nfs/dbraw/zinc/38/47/41/1036384741.db2.gz NRNQSERGGMKCOJ-NVXWUHKLSA-N 2 0 306.519 3.923 20 0 DHADRP C[C@H]([NH2+]CCOC1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601701 1036386460 /nfs/dbraw/zinc/38/64/60/1036386460.db2.gz NBIFVNRUUXCIPN-ROUUACIJSA-N 2 0 322.537 3.968 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc2c(cccc2O)s1 ZINC001182713750 1036436136 /nfs/dbraw/zinc/43/61/36/1036436136.db2.gz IEBSWABUUSPNMJ-UHFFFAOYSA-N 2 0 306.475 3.674 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H](C)c1ccccc1 ZINC000658355376 1036447784 /nfs/dbraw/zinc/44/77/84/1036447784.db2.gz IMWDMAMXTNITHK-IAGOWNOFSA-N 2 0 300.490 3.890 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC001183146146 1036525196 /nfs/dbraw/zinc/52/51/96/1036525196.db2.gz PUUYVGUIJLGVKE-XLIONFOSSA-N 2 0 318.505 3.863 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001183146243 1036526376 /nfs/dbraw/zinc/52/63/76/1036526376.db2.gz ROYCQAWKOCNUDU-WOJBJXKFSA-N 2 0 300.490 3.890 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CC3 ZINC000491357329 1036557824 /nfs/dbraw/zinc/55/78/24/1036557824.db2.gz YEQUPUIQWRLCGL-MRXNPFEDSA-N 2 0 313.489 3.654 20 0 DHADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@@H]3CCSC3)c2)CC1 ZINC000487266292 1036618460 /nfs/dbraw/zinc/61/84/60/1036618460.db2.gz AFBVLQCUBHNSTL-IBGZPJMESA-N 2 0 318.530 3.761 20 0 DHADRP COC[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495410166 1036618603 /nfs/dbraw/zinc/61/86/03/1036618603.db2.gz UDTJSKXSTMTKKD-HOJAQTOUSA-N 2 0 318.505 3.548 20 0 DHADRP COC[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495410168 1036618922 /nfs/dbraw/zinc/61/89/22/1036618922.db2.gz UDTJSKXSTMTKKD-RLLQIKCJSA-N 2 0 318.505 3.548 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487274981 1036634569 /nfs/dbraw/zinc/63/45/69/1036634569.db2.gz PAJKKGXANSEYKL-XSAZBNQGSA-N 2 0 301.478 3.585 20 0 DHADRP CCCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495444276 1036647169 /nfs/dbraw/zinc/64/71/69/1036647169.db2.gz IJGCYDZXWJTWCF-MISYRCLQSA-N 2 0 318.505 3.692 20 0 DHADRP Fc1ccc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1F ZINC000629548641 1036659193 /nfs/dbraw/zinc/65/91/93/1036659193.db2.gz HWCNAJIQIWDAEP-ZBFHGGJFSA-N 2 0 308.416 3.534 20 0 DHADRP CC(C)C[N@H+](CCO[C@@H]1CCCC[C@H]1C)CC1CC[NH+](C)CC1 ZINC001197194708 1036704873 /nfs/dbraw/zinc/70/48/73/1036704873.db2.gz SULNNBLEUWEILK-UYAOXDASSA-N 2 0 324.553 3.882 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccns2)c1 ZINC000924828033 1036737074 /nfs/dbraw/zinc/73/70/74/1036737074.db2.gz GTOQOQZJPOBZDG-CQSZACIVSA-N 2 0 303.475 3.834 20 0 DHADRP FC1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001197335088 1036755861 /nfs/dbraw/zinc/75/58/61/1036755861.db2.gz HWHGHOSZHGREOA-UHFFFAOYSA-N 2 0 318.480 3.765 20 0 DHADRP CSc1ccc(Cl)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235095862 1036765124 /nfs/dbraw/zinc/76/51/24/1036765124.db2.gz WIRDDUFBOZJQEK-UHFFFAOYSA-N 2 0 310.894 3.637 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000668818989 1036836002 /nfs/dbraw/zinc/83/60/02/1036836002.db2.gz MFLWVILAAIQPPL-ZBFHGGJFSA-N 2 0 322.443 3.780 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC001205314633 1036959375 /nfs/dbraw/zinc/95/93/75/1036959375.db2.gz BTLYKHIJTDTDMH-YPMHNXCESA-N 2 0 318.408 3.715 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488339465 1036967913 /nfs/dbraw/zinc/96/79/13/1036967913.db2.gz ZWJSLWKCQMCDFS-UHFFFAOYSA-N 2 0 317.452 3.861 20 0 DHADRP CCCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000236774859 1036980867 /nfs/dbraw/zinc/98/08/67/1036980867.db2.gz WFJVSXKLHWJYNV-SFHVURJKSA-N 2 0 304.478 3.687 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)cc1F ZINC000488423556 1037003620 /nfs/dbraw/zinc/00/36/20/1037003620.db2.gz BGAHHXSAZHKDQL-RDJZCZTQSA-N 2 0 324.509 3.897 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CS1 ZINC000488459284 1037027205 /nfs/dbraw/zinc/02/72/05/1037027205.db2.gz IXADFGPFJJQPJL-DOTOQJQBSA-N 2 0 310.482 3.507 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000488465648 1037036402 /nfs/dbraw/zinc/03/64/02/1037036402.db2.gz UABSENAFRZSFRC-IAGOWNOFSA-N 2 0 306.519 3.758 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000488465649 1037037506 /nfs/dbraw/zinc/03/75/06/1037037506.db2.gz UABSENAFRZSFRC-IRXDYDNUSA-N 2 0 306.519 3.758 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[N@@H+]([C@@H]4C[C@@H]4C)C[C@@H](C)C3)c2c1 ZINC000488747203 1037130111 /nfs/dbraw/zinc/13/01/11/1037130111.db2.gz ITIBSROSDVGLLK-TWOQFEAHSA-N 2 0 309.457 3.710 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309668144 1037167499 /nfs/dbraw/zinc/16/74/99/1037167499.db2.gz QYXRHZJFIXRABN-NZSAHSFTSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309685313 1037171270 /nfs/dbraw/zinc/17/12/70/1037171270.db2.gz APAORFZGVGTQOM-VQIMIIECSA-N 2 0 312.432 3.826 20 0 DHADRP CC(C)[NH+]1CCC(NCc2ccc(SC(F)F)cc2)CC1 ZINC001199067576 1037191026 /nfs/dbraw/zinc/19/10/26/1037191026.db2.gz DSXAKBHEACOHDU-UHFFFAOYSA-N 2 0 314.445 3.964 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000393435588 1037195897 /nfs/dbraw/zinc/19/58/97/1037195897.db2.gz UACXTPWDBHAAFU-MAZHCROVSA-N 2 0 312.379 3.983 20 0 DHADRP C[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393832526 1037233887 /nfs/dbraw/zinc/23/38/87/1037233887.db2.gz LBZXCVHUGKXOKT-UYAOXDASSA-N 2 0 324.468 3.566 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC001199329636 1037246376 /nfs/dbraw/zinc/24/63/76/1037246376.db2.gz XNFWBTAMDJVTJD-OTWHNJEPSA-N 2 0 322.537 3.826 20 0 DHADRP Fc1ccc2c(c1)[C@@H](N1CC[C@H](C[NH+]3CCCCC3)C1)CC2 ZINC000177815376 1037269558 /nfs/dbraw/zinc/26/95/58/1037269558.db2.gz XSIXIEKXXCGNFW-BEFAXECRSA-N 2 0 302.437 3.621 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)C1 ZINC000774964461 1037296057 /nfs/dbraw/zinc/29/60/57/1037296057.db2.gz VQOLKXZVATWUQV-PXNSSMCTSA-N 2 0 314.473 3.701 20 0 DHADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000660116454 1037376928 /nfs/dbraw/zinc/37/69/28/1037376928.db2.gz ZUGVDNWBEXPZSW-YCPHGPKFSA-N 2 0 300.437 3.617 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC001200872511 1037453517 /nfs/dbraw/zinc/45/35/17/1037453517.db2.gz PWMKKBQLLQQIKJ-RTBURBONSA-N 2 0 310.526 3.538 20 0 DHADRP CCO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001200873135 1037453746 /nfs/dbraw/zinc/45/37/46/1037453746.db2.gz YZQNCTXHNJKTET-RBUKOAKNSA-N 2 0 310.526 3.682 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)C1 ZINC000489563301 1037490368 /nfs/dbraw/zinc/49/03/68/1037490368.db2.gz WEGSQNXCNRDWMA-LPHOPBHVSA-N 2 0 316.489 3.955 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000493946086 1037601021 /nfs/dbraw/zinc/60/10/21/1037601021.db2.gz XESMQCJAWMUYJC-NJAFHUGGSA-N 2 0 306.494 3.719 20 0 DHADRP CC(C)[PH+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001187301755 1037617445 /nfs/dbraw/zinc/61/74/45/1037617445.db2.gz IPLRTOHCNGKXTQ-UHFFFAOYSA-N 2 0 322.433 3.777 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183726764 1037704387 /nfs/dbraw/zinc/70/43/87/1037704387.db2.gz ZQLCTYGSVGJFFC-CVSAEHQPSA-N 2 0 306.416 3.818 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC001201557920 1037774720 /nfs/dbraw/zinc/77/47/20/1037774720.db2.gz OSBQXOSYGIRXCR-MSOLQXFVSA-N 2 0 316.489 3.510 20 0 DHADRP CCCc1cccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201672046 1037826599 /nfs/dbraw/zinc/82/65/99/1037826599.db2.gz HJUREWPODUIXHS-UHFFFAOYSA-N 2 0 310.445 3.530 20 0 DHADRP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001201857827 1037908260 /nfs/dbraw/zinc/90/82/60/1037908260.db2.gz SZBIRXZMZLBFQA-QZTJIDSGSA-N 2 0 310.551 3.905 20 0 DHADRP Cc1ccc(SC[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000186473794 1037908894 /nfs/dbraw/zinc/90/88/94/1037908894.db2.gz CAGAGRPWPJJVMA-MRXNPFEDSA-N 2 0 306.519 3.938 20 0 DHADRP [NH3+]CCCCCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000846224514 1037913945 /nfs/dbraw/zinc/91/39/45/1037913945.db2.gz ZBKRHRDMOZTZGW-AWEZNQCLSA-N 2 0 306.347 3.928 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001201919585 1037939272 /nfs/dbraw/zinc/93/92/72/1037939272.db2.gz GVZMELPTGGMOPW-ZWKOTPCHSA-N 2 0 312.542 3.929 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658356643 1037947305 /nfs/dbraw/zinc/94/73/05/1037947305.db2.gz KRNYICLQCBGOIN-MRXNPFEDSA-N 2 0 316.489 3.858 20 0 DHADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564907 1037954099 /nfs/dbraw/zinc/95/40/99/1037954099.db2.gz VRGYGFZSRFERNO-NWANDNLSSA-N 2 0 300.368 3.515 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187645084 1037985537 /nfs/dbraw/zinc/98/55/37/1037985537.db2.gz FAGLPXFUFBUPQS-KBPBESRZSA-N 2 0 305.853 3.874 20 0 DHADRP COc1ccc(Cl)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000916834702 1037987372 /nfs/dbraw/zinc/98/73/72/1037987372.db2.gz UYWYWARXSXEHRS-OAHLLOKOSA-N 2 0 324.896 3.950 20 0 DHADRP CCC[NH+](CCC)CCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC001202114681 1038042248 /nfs/dbraw/zinc/04/22/48/1038042248.db2.gz FUIJXUHYIFOXAH-UHFFFAOYSA-N 2 0 311.558 3.552 20 0 DHADRP CC1(C)CC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC(C)(C)[NH2+]1 ZINC000126465909 1038066225 /nfs/dbraw/zinc/06/62/25/1038066225.db2.gz IJPHUEQLNGYLJW-OAHLLOKOSA-N 2 0 306.881 3.706 20 0 DHADRP CCCc1csc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000494387025 1038082843 /nfs/dbraw/zinc/08/28/43/1038082843.db2.gz QUPVOVRXIBVXPM-OAHLLOKOSA-N 2 0 309.523 3.697 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000189248028 1038117985 /nfs/dbraw/zinc/11/79/85/1038117985.db2.gz ZLKYBBWNDVZNHN-BXXUTWAOSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1cscc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000494486704 1038120522 /nfs/dbraw/zinc/12/05/22/1038120522.db2.gz PEJVFXIGUWGCRT-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000571941694 1038281670 /nfs/dbraw/zinc/28/16/70/1038281670.db2.gz TXPDVJOJSXDOMR-RBUKOAKNSA-N 2 0 320.521 3.580 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCOCC2CCCC2)CC1 ZINC001190408378 1038309443 /nfs/dbraw/zinc/30/94/43/1038309443.db2.gz XUGNWPHCOPVTQN-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1C[NH+]1CCCCC1 ZINC000775383734 1038310108 /nfs/dbraw/zinc/31/01/08/1038310108.db2.gz PGZPQEAWIPFLRD-XYJFISCASA-N 2 0 316.489 3.988 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000572111556 1038335457 /nfs/dbraw/zinc/33/54/57/1038335457.db2.gz CVBBDTCIRFSHRR-ZAAXVRCTSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000572111555 1038335773 /nfs/dbraw/zinc/33/57/73/1038335773.db2.gz CVBBDTCIRFSHRR-QSFXBCCZSA-N 2 0 309.457 3.917 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC001190492766 1038337206 /nfs/dbraw/zinc/33/72/06/1038337206.db2.gz FKBQYHMVWPISSB-IBGZPJMESA-N 2 0 322.537 3.922 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cncc(C[NH+]3C[C@@H](C)C[C@@H]3C)c2)C1 ZINC000572453920 1038381649 /nfs/dbraw/zinc/38/16/49/1038381649.db2.gz WMRJRQDQNHQEHC-YVSFHVDLSA-N 2 0 301.478 3.542 20 0 DHADRP Fc1cccc(CC[N@H+](CCC[NH+]2CCCCC2)C2CC2)c1 ZINC001191071574 1038430610 /nfs/dbraw/zinc/43/06/10/1038430610.db2.gz XQOWKEXZNNRHEO-UHFFFAOYSA-N 2 0 304.453 3.709 20 0 DHADRP COc1ccc([C@@H](C)[N@H+](C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168387803 1038445208 /nfs/dbraw/zinc/44/52/08/1038445208.db2.gz UWSKKFBQJYVDEX-OAHLLOKOSA-N 2 0 302.462 3.562 20 0 DHADRP C[N@H+](CCn1ccc2cc(Cl)ccc21)C[C@H]1CCC[NH+](C)C1 ZINC001191174004 1038455313 /nfs/dbraw/zinc/45/53/13/1038455313.db2.gz MQUUNLRTDDDKHZ-HNNXBMFYSA-N 2 0 319.880 3.568 20 0 DHADRP CSC1(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)CC[NH+](C)CC1 ZINC000589349481 1038468065 /nfs/dbraw/zinc/46/80/65/1038468065.db2.gz FMIZWAOWWWZXMY-CRAIPNDOSA-N 2 0 318.530 3.727 20 0 DHADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000572849768 1038513266 /nfs/dbraw/zinc/51/32/66/1038513266.db2.gz HIUIGTIDUBMXJQ-ZDUSSCGKSA-N 2 0 314.395 3.740 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168392801 1038517623 /nfs/dbraw/zinc/51/76/23/1038517623.db2.gz UGHAWLQGLMEISF-IBGZPJMESA-N 2 0 314.473 3.707 20 0 DHADRP C[C@H]([NH2+]CCNc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775513304 1038604705 /nfs/dbraw/zinc/60/47/05/1038604705.db2.gz WERFHAATHNBIID-ICSRJNTNSA-N 2 0 323.484 3.599 20 0 DHADRP CC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000590302867 1038620161 /nfs/dbraw/zinc/62/01/61/1038620161.db2.gz RSGLTMFNRHQRLH-UHFFFAOYSA-N 2 0 302.462 3.584 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399422 1038624561 /nfs/dbraw/zinc/62/45/61/1038624561.db2.gz AWGVNBJZDYNRSL-GQIGUUNPSA-N 2 0 318.480 3.641 20 0 DHADRP Fc1ccc(C[C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168399372 1038628317 /nfs/dbraw/zinc/62/83/17/1038628317.db2.gz ZWEDXMGYMXEYAD-FQEVSTJZSA-N 2 0 316.464 3.707 20 0 DHADRP C[C@H]1CC[N@H+](Cc2c(F)cccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603020 1038676657 /nfs/dbraw/zinc/67/66/57/1038676657.db2.gz MUDASNYMBGTBRO-RYUDHWBXSA-N 2 0 318.358 3.651 20 0 DHADRP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603084 1038678099 /nfs/dbraw/zinc/67/80/99/1038678099.db2.gz NPUCHFUUUDKGTI-RCCFBDPRSA-N 2 0 312.542 3.915 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205604010 1038684125 /nfs/dbraw/zinc/68/41/25/1038684125.db2.gz UDOUZTQHVCPAEO-DGCLKSJQSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205604841 1038692180 /nfs/dbraw/zinc/69/21/80/1038692180.db2.gz YCPFIGRTTKIMRP-YPMHNXCESA-N 2 0 301.261 3.800 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205616896 1038720490 /nfs/dbraw/zinc/72/04/90/1038720490.db2.gz HLRQCCAUOLTYCC-NEPJUHHUSA-N 2 0 318.358 3.651 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000573036776 1038737847 /nfs/dbraw/zinc/73/78/47/1038737847.db2.gz XOZPLFYGXIOENM-AUUYWEPGSA-N 2 0 304.453 3.771 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2F)CC1(C)C ZINC000598953665 1038963864 /nfs/dbraw/zinc/96/38/64/1038963864.db2.gz ZTZRCORGHYJWDS-OAHLLOKOSA-N 2 0 310.482 3.521 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000603515793 1039034168 /nfs/dbraw/zinc/03/41/68/1039034168.db2.gz HDBBFZNXDVXSKT-MDZRGWNJSA-N 2 0 304.478 3.541 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000760899000 1039042022 /nfs/dbraw/zinc/04/20/22/1039042022.db2.gz WJRQTRYZHRIIBS-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP C[N@H+](Cc1ccc(Cl)c2cccnc12)C1CCC([NH3+])CC1 ZINC000157546063 1039057506 /nfs/dbraw/zinc/05/75/06/1039057506.db2.gz VFYMPKJJYBZLBE-UHFFFAOYSA-N 2 0 303.837 3.590 20 0 DHADRP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000167409178 1039270697 /nfs/dbraw/zinc/27/06/97/1039270697.db2.gz QYRHJOROARPGNC-UHFFFAOYSA-N 2 0 304.331 3.546 20 0 DHADRP CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC000094011253 1039587206 /nfs/dbraw/zinc/58/72/06/1039587206.db2.gz BXQYGGDSBWVFCW-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP C[C@@H](CSCCF)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000595008786 1040020876 /nfs/dbraw/zinc/02/08/76/1040020876.db2.gz SQYHZFIQQGRCNW-INIZCTEOSA-N 2 0 324.509 3.579 20 0 DHADRP C[C@H](CSCCF)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595035593 1040042821 /nfs/dbraw/zinc/04/28/21/1040042821.db2.gz XVDNDWPROYHFIT-NUJGCVRESA-N 2 0 324.509 3.578 20 0 DHADRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])Nc1ccccc1)c1ccccc1 ZINC000069672693 1040088769 /nfs/dbraw/zinc/08/87/69/1040088769.db2.gz URALQPJBTIQAEJ-HNNXBMFYSA-N 2 0 310.445 3.752 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc3C2)cc1 ZINC001168406427 1040158453 /nfs/dbraw/zinc/15/84/53/1040158453.db2.gz ZYEPUAJKWRKUDX-HXUWFJFHSA-N 2 0 312.432 3.534 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000608063442 1040361463 /nfs/dbraw/zinc/36/14/63/1040361463.db2.gz IKYMCYBDPSOPHV-GUDVDZBRSA-N 2 0 316.489 3.685 20 0 DHADRP CC[N@H+](C)C[C@H]1CCN(CCSc2cccc(Cl)c2)C1 ZINC000659990252 1040832195 /nfs/dbraw/zinc/83/21/95/1040832195.db2.gz ZKCQRXHAOCTQLC-CQSZACIVSA-N 2 0 312.910 3.706 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000286008777 535216124 /nfs/dbraw/zinc/21/61/24/535216124.db2.gz OFYLVZVMVPKTPR-HXUWFJFHSA-N 2 0 318.505 3.554 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000563785000 335012326 /nfs/dbraw/zinc/01/23/26/335012326.db2.gz VMIAWCRBZJZCCP-BJLQDIEVSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020128985 182189696 /nfs/dbraw/zinc/18/96/96/182189696.db2.gz REONTDXYVADSCN-CYBMUJFWSA-N 2 0 311.267 3.586 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626389 184179281 /nfs/dbraw/zinc/17/92/81/184179281.db2.gz WLFIZUGMKVNTTK-LALPHHSUSA-N 2 0 300.368 3.524 20 0 DHADRP C[C@H]([NH2+]CC1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272704660 130055861 /nfs/dbraw/zinc/05/58/61/130055861.db2.gz ZYTATYZYUQHYBW-QFBILLFUSA-N 2 0 318.530 3.630 20 0 DHADRP CSC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274978125 130279159 /nfs/dbraw/zinc/27/91/59/130279159.db2.gz YZDWAPHKRWPCCK-NVXWUHKLSA-N 2 0 306.519 3.628 20 0 DHADRP c1c[nH]c([C@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)n1 ZINC000275792295 130386030 /nfs/dbraw/zinc/38/60/30/130386030.db2.gz YWDXSJCUOLOBIU-KRWDZBQOSA-N 2 0 313.445 3.838 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCS2 ZINC000276125058 130442323 /nfs/dbraw/zinc/44/23/23/130442323.db2.gz KPKYVRUJSKPFLE-INIZCTEOSA-N 2 0 320.502 3.554 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000281256664 130848201 /nfs/dbraw/zinc/84/82/01/130848201.db2.gz OIDNFAXEHSKQEC-MOPGFXCFSA-N 2 0 315.505 3.738 20 0 DHADRP C[N@H+](Cc1cc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285360450 131160904 /nfs/dbraw/zinc/16/09/04/131160904.db2.gz BMIOIHWHANBFLX-XYPWUTKMSA-N 2 0 300.471 3.958 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000287070024 131261982 /nfs/dbraw/zinc/26/19/82/131261982.db2.gz OAJGIJMHVFAKHA-BHIYHBOVSA-N 2 0 318.530 3.630 20 0 DHADRP Cc1ccc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc2n1 ZINC000289193556 131364533 /nfs/dbraw/zinc/36/45/33/131364533.db2.gz AYCPCQGQWIAZKO-DFNIBXOVSA-N 2 0 309.457 3.600 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000366661601 131399550 /nfs/dbraw/zinc/39/95/50/131399550.db2.gz DGBOHPXBAMJDMY-NEWSRXKRSA-N 2 0 308.510 3.577 20 0 DHADRP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000366661594 131399945 /nfs/dbraw/zinc/39/99/45/131399945.db2.gz DFSTWUDCDJORPA-DDBAPUKQSA-N 2 0 304.865 3.802 20 0 DHADRP CCC[N@H+](CCCn1ccnc1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000343321711 335079418 /nfs/dbraw/zinc/07/94/18/335079418.db2.gz OMBHYYQUQJREML-ZWKOTPCHSA-N 2 0 319.493 3.723 20 0 DHADRP C[C@H](C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1)C[NH+](C)C ZINC000391742477 335087529 /nfs/dbraw/zinc/08/75/29/335087529.db2.gz SJVDPAWZJVZIJH-QZTJIDSGSA-N 2 0 310.485 3.994 20 0 DHADRP CCC1CC([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000556582488 331716595 /nfs/dbraw/zinc/71/65/95/331716595.db2.gz AJXGMYINJSPTDO-HNXFYBAISA-N 2 0 300.490 3.921 20 0 DHADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000556611570 331720247 /nfs/dbraw/zinc/72/02/47/331720247.db2.gz PYDBWXALYOHANR-FXAWDEMLSA-N 2 0 316.489 3.828 20 0 DHADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000261725365 331830544 /nfs/dbraw/zinc/83/05/44/331830544.db2.gz MJLKNRZKONSDHQ-RLFYNMQTSA-N 2 0 317.477 3.606 20 0 DHADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000152674839 331891360 /nfs/dbraw/zinc/89/13/60/331891360.db2.gz ZDZSBKJSXMALGY-MAUKXSAKSA-N 2 0 302.462 3.711 20 0 DHADRP [NH3+][C@@H]1C[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)c2ccccc21 ZINC000261764036 332001427 /nfs/dbraw/zinc/00/14/27/332001427.db2.gz WAJHJCATJGPIFW-QHAWAJNXSA-N 2 0 321.468 3.558 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nc(C)sc3c2)[C@@H](C)C1 ZINC000426414378 332145155 /nfs/dbraw/zinc/14/51/55/332145155.db2.gz AVNPTFPHEIHWBD-SUMWQHHRSA-N 2 0 317.502 3.767 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000559540759 332269772 /nfs/dbraw/zinc/26/97/72/332269772.db2.gz ICAMXNKVUKTVGJ-CQSZACIVSA-N 2 0 310.844 3.643 20 0 DHADRP CCOC1(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CCCC1 ZINC000559892768 332290189 /nfs/dbraw/zinc/29/01/89/332290189.db2.gz ZDRFRKDZTMNPGE-MOPGFXCFSA-N 2 0 316.489 3.761 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560252457 332323962 /nfs/dbraw/zinc/32/39/62/332323962.db2.gz WQDYRKTWSWFXFS-OALUTQOASA-N 2 0 316.489 3.697 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](CO)C(C)C ZINC000449513003 332330418 /nfs/dbraw/zinc/33/04/18/332330418.db2.gz RCXAWSSUCIVBOZ-VQTJNVASSA-N 2 0 324.553 3.662 20 0 DHADRP C[C@H]([NH2+]CCN1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990493 332340745 /nfs/dbraw/zinc/34/07/45/332340745.db2.gz WJJJBMCPIUHDJM-ZOBORPQBSA-N 2 0 312.910 3.825 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000560531616 332353515 /nfs/dbraw/zinc/35/35/15/332353515.db2.gz XFTHJOUJDCULCG-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)[C@@H]2CCC[C@@H]21 ZINC000560542733 332355673 /nfs/dbraw/zinc/35/56/73/332355673.db2.gz GEPUMOKWPLLYJU-JBACZVJFSA-N 2 0 321.468 3.711 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)[C@H](C)C1 ZINC000560569734 332360619 /nfs/dbraw/zinc/36/06/19/332360619.db2.gz JALCJAXGWVOEGQ-PBHICJAKSA-N 2 0 319.880 3.615 20 0 DHADRP Cc1cccc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000560890652 332391898 /nfs/dbraw/zinc/39/18/98/332391898.db2.gz BYSBXEQUZPAEQY-UHFFFAOYSA-N 2 0 316.489 3.761 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc2)cc1 ZINC000261810386 332405422 /nfs/dbraw/zinc/40/54/22/332405422.db2.gz VPFJBYABTMIOLY-QLOJAFMTSA-N 2 0 310.441 3.644 20 0 DHADRP C[C@H](C[NH2+][C@H](C)c1ccc(OC(F)F)cc1)C[NH+]1CCCC1 ZINC000171141731 332641919 /nfs/dbraw/zinc/64/19/19/332641919.db2.gz IGBLNQJJMUPHQU-ZIAGYGMSSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110644335 333039769 /nfs/dbraw/zinc/03/97/69/333039769.db2.gz HKSWAGSINYNVMG-NWDGAFQWSA-N 2 0 300.368 3.826 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000378950588 333067070 /nfs/dbraw/zinc/06/70/70/333067070.db2.gz HAJMCXXTYVHUPK-SZMVWBNQSA-N 2 0 302.462 3.751 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000314544477 333141712 /nfs/dbraw/zinc/14/17/12/333141712.db2.gz XZFJFWKMPHJLKZ-GFCCVEGCSA-N 2 0 318.383 3.824 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)C1 ZINC000572662877 333169408 /nfs/dbraw/zinc/16/94/08/333169408.db2.gz YMRSWQIRRWXTBG-QWFCFKBJSA-N 2 0 310.441 3.666 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000387761654 333172546 /nfs/dbraw/zinc/17/25/46/333172546.db2.gz FSFFZLOQFRAXIM-AWEZNQCLSA-N 2 0 317.864 3.708 20 0 DHADRP CSCCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309717700 333190953 /nfs/dbraw/zinc/19/09/53/333190953.db2.gz MMNGCKKRAZZGMM-WMZOPIPTSA-N 2 0 306.519 3.630 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000318630774 333196416 /nfs/dbraw/zinc/19/64/16/333196416.db2.gz DYZSLIZDXXPQHI-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP c1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000310012767 333215705 /nfs/dbraw/zinc/21/57/05/333215705.db2.gz LMCLMQNCROONTJ-MOPGFXCFSA-N 2 0 312.482 3.702 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000319158505 333266739 /nfs/dbraw/zinc/26/67/39/333266739.db2.gz XQENLOWNUVCKDQ-UHFFFAOYSA-N 2 0 318.358 3.666 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000020128990 333280927 /nfs/dbraw/zinc/28/09/27/333280927.db2.gz GQBYUZPPSBTKCI-ZDUSSCGKSA-N 2 0 311.267 3.586 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCOCc1ccccc1 ZINC000390601737 333305857 /nfs/dbraw/zinc/30/58/57/333305857.db2.gz XQAKOYWMHUSMQX-ICSRJNTNSA-N 2 0 318.505 3.884 20 0 DHADRP COCCC(C)(C)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000183942463 333328076 /nfs/dbraw/zinc/32/80/76/333328076.db2.gz JGIWUZVPYFHEET-OAHLLOKOSA-N 2 0 301.434 3.586 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382307 333348022 /nfs/dbraw/zinc/34/80/22/333348022.db2.gz SDRCQHPERKQPPH-FUHWJXTLSA-N 2 0 304.478 3.778 20 0 DHADRP COC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)C1CCCC1 ZINC000446929795 333462104 /nfs/dbraw/zinc/46/21/04/333462104.db2.gz SDSNSEGRKOZLOK-LJQANCHMSA-N 2 0 310.526 3.539 20 0 DHADRP CCCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000531686973 333542745 /nfs/dbraw/zinc/54/27/45/333542745.db2.gz VQMUZTAPNHVNKK-HXUWFJFHSA-N 2 0 317.521 3.535 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531699822 333547369 /nfs/dbraw/zinc/54/73/69/333547369.db2.gz KOSWCPQOEWEJQQ-JFIYKMOQSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000069382222 333570059 /nfs/dbraw/zinc/57/00/59/333570059.db2.gz BZYUKWJWYGBCQZ-ILXRZTDVSA-N 2 0 306.416 3.819 20 0 DHADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000414659601 334059502 /nfs/dbraw/zinc/05/95/02/334059502.db2.gz LHGGLBIFGUMOHL-LZWOXQAQSA-N 2 0 312.379 3.573 20 0 DHADRP [NH3+]C[C@H]1CC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414660228 334060311 /nfs/dbraw/zinc/06/03/11/334060311.db2.gz UVNMKNDSIQJYDE-DHBDYNCWSA-N 2 0 322.452 3.559 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000414666986 334062386 /nfs/dbraw/zinc/06/23/86/334062386.db2.gz XFPVTZUFKBQJHB-QFBILLFUSA-N 2 0 324.468 3.921 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414669122 334063966 /nfs/dbraw/zinc/06/39/66/334063966.db2.gz KEFBFVNHFGSCTA-DFQSSKMNSA-N 2 0 322.452 3.531 20 0 DHADRP C[NH2+]CC1CC[NH+](C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000414674134 334066082 /nfs/dbraw/zinc/06/60/82/334066082.db2.gz PISGXYCNHYATKL-ZDUSSCGKSA-N 2 0 314.395 3.740 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414675745 334066887 /nfs/dbraw/zinc/06/68/87/334066887.db2.gz GNNAIKDBPZYNFQ-GJYPPUQNSA-N 2 0 302.462 3.610 20 0 DHADRP COc1ccc(C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C2CC2)cc1 ZINC000414681386 334067615 /nfs/dbraw/zinc/06/76/15/334067615.db2.gz OXZDZHXFQMUBJU-SOLBZPMBSA-N 2 0 316.489 3.684 20 0 DHADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414701858 334070708 /nfs/dbraw/zinc/07/07/08/334070708.db2.gz KZIOKYYGVJSSTO-JSGCOSHPSA-N 2 0 300.368 3.525 20 0 DHADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414701865 334070736 /nfs/dbraw/zinc/07/07/36/334070736.db2.gz KZIOKYYGVJSSTO-TZMCWYRMSA-N 2 0 300.368 3.525 20 0 DHADRP CC(C)C[C@H](C)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414708193 334071971 /nfs/dbraw/zinc/07/19/71/334071971.db2.gz CNRWAFOLNHUJMC-PKOBYXMFSA-N 2 0 303.494 3.708 20 0 DHADRP Cc1cccc2nc(C3CCN(C[C@H]([NH3+])CC(C)C)CC3)oc21 ZINC000414740728 334078245 /nfs/dbraw/zinc/07/82/45/334078245.db2.gz JZTHAPIIVAWVFU-MRXNPFEDSA-N 2 0 315.461 3.689 20 0 DHADRP C[C@@H]1C[C@H](C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC[NH2+]1 ZINC000414741707 334078719 /nfs/dbraw/zinc/07/87/19/334078719.db2.gz FOMOXNNXJFIFMO-GDBMZVCRSA-N 2 0 314.395 3.829 20 0 DHADRP Cc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1C(F)(F)F ZINC000414748208 334084640 /nfs/dbraw/zinc/08/46/40/334084640.db2.gz IFQAIKWYIGVSCN-CQSZACIVSA-N 2 0 300.368 3.588 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC000414755057 334085668 /nfs/dbraw/zinc/08/56/68/334085668.db2.gz OOQXVHDYDMWARC-QWQRMKEZSA-N 2 0 308.416 3.880 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780417 334093207 /nfs/dbraw/zinc/09/32/07/334093207.db2.gz LMOXDGNRWNGKHV-ROUUACIJSA-N 2 0 324.468 3.670 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414793543 334098777 /nfs/dbraw/zinc/09/87/77/334098777.db2.gz DRMRMSGAYJMVLI-XNRPHZJLSA-N 2 0 314.395 3.744 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414800663 334101639 /nfs/dbraw/zinc/10/16/39/334101639.db2.gz SNUHTCUTVPIEPI-LJQANCHMSA-N 2 0 318.411 3.670 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc2cccnc12 ZINC000414804050 334103754 /nfs/dbraw/zinc/10/37/54/334103754.db2.gz DRFQWGXHFCWVAX-OAHLLOKOSA-N 2 0 305.425 3.853 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000414805007 334104019 /nfs/dbraw/zinc/10/40/19/334104019.db2.gz GBJZYAJBPCJQSP-LLVKDONJSA-N 2 0 324.346 3.737 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000414804974 334104050 /nfs/dbraw/zinc/10/40/50/334104050.db2.gz FWOKXKZJHSZOQJ-HNNXBMFYSA-N 2 0 310.441 3.785 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414807828 334104203 /nfs/dbraw/zinc/10/42/03/334104203.db2.gz ROQODUCLQGWHFE-WCQYABFASA-N 2 0 318.795 3.549 20 0 DHADRP COc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000414811968 334105160 /nfs/dbraw/zinc/10/51/60/334105160.db2.gz QKJSQSPZUHVTDZ-LBPRGKRZSA-N 2 0 304.821 3.658 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000414811082 334105691 /nfs/dbraw/zinc/10/56/91/334105691.db2.gz ITATYLUVDKDXJC-KPZWWZAWSA-N 2 0 300.833 3.617 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821303 334108415 /nfs/dbraw/zinc/10/84/15/334108415.db2.gz AYBMBDFODMGZQB-YGOACVGDSA-N 2 0 312.379 3.509 20 0 DHADRP C[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414820915 334108474 /nfs/dbraw/zinc/10/84/74/334108474.db2.gz KMCUDQQDXYZIRF-CHWSQXEVSA-N 2 0 315.288 3.904 20 0 DHADRP C[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414820916 334108518 /nfs/dbraw/zinc/10/85/18/334108518.db2.gz KMCUDQQDXYZIRF-OLZOCXBDSA-N 2 0 315.288 3.904 20 0 DHADRP Clc1ccc(OC2CCCC2)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414830374 334110576 /nfs/dbraw/zinc/11/05/76/334110576.db2.gz LYASZJKUHFEGHA-CQSZACIVSA-N 2 0 322.880 3.751 20 0 DHADRP Fc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Cl)c1Cl ZINC000414832611 334110975 /nfs/dbraw/zinc/11/09/75/334110975.db2.gz FGQFIZTUZAYLAH-JTQLQIEISA-N 2 0 305.224 3.612 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414835300 334111360 /nfs/dbraw/zinc/11/13/60/334111360.db2.gz IINCLLHSWIZELJ-ZYSHUDEJSA-N 2 0 304.478 3.555 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414835252 334111365 /nfs/dbraw/zinc/11/13/65/334111365.db2.gz IDUHGBWRCURZKM-JLSDUUJJSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414837577 334111729 /nfs/dbraw/zinc/11/17/29/334111729.db2.gz KLHYSFRXQPQZEZ-ZFWWWQNUSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414849017 334121124 /nfs/dbraw/zinc/12/11/24/334121124.db2.gz HANGEGFVKSCFEF-GOEBONIOSA-N 2 0 315.486 3.596 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000281373756 334125567 /nfs/dbraw/zinc/12/55/67/334125567.db2.gz WTGHCPNJLZVKTD-SJORKVTESA-N 2 0 303.494 3.594 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414854513 334127814 /nfs/dbraw/zinc/12/78/14/334127814.db2.gz LYFKHLLQNVYQLA-HIFRSBDPSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414854516 334127832 /nfs/dbraw/zinc/12/78/32/334127832.db2.gz LYFKHLLQNVYQLA-UKRRQHHQSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1ccnc([C@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000286248229 334152480 /nfs/dbraw/zinc/15/24/80/334152480.db2.gz UHAZAHRDKKLPOO-ICSRJNTNSA-N 2 0 323.484 3.605 20 0 DHADRP C[C@@H](CC[NH3+])[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414901175 334164997 /nfs/dbraw/zinc/16/49/97/334164997.db2.gz WXMKTJJCJIOBAM-AFCDSYGPSA-N 2 0 310.441 3.606 20 0 DHADRP [NH3+]CCCC[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414905309 334168485 /nfs/dbraw/zinc/16/84/85/334168485.db2.gz NWUNKXKCHWDNKC-TWGQIWQCSA-N 2 0 310.441 3.607 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000414914050 334175677 /nfs/dbraw/zinc/17/56/77/334175677.db2.gz WQNWSGJJVKWHOW-WFASDCNBSA-N 2 0 301.261 3.958 20 0 DHADRP c1ccc(CC(C[NH2+][C@@H]2CCC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000414915399 334176840 /nfs/dbraw/zinc/17/68/40/334176840.db2.gz MNMXXKGAOYZLPU-JOCHJYFZSA-N 2 0 322.496 3.820 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414917113 334177571 /nfs/dbraw/zinc/17/75/71/334177571.db2.gz RAXUCIXOCGCAAJ-NRFANRHFSA-N 2 0 324.468 3.842 20 0 DHADRP c1ccc(C(CC[NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000415082861 334272030 /nfs/dbraw/zinc/27/20/30/334272030.db2.gz MMZAPUPZPMARGP-UHFFFAOYSA-N 2 0 308.469 3.798 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293684546 334200859 /nfs/dbraw/zinc/20/08/59/334200859.db2.gz RQEMBXUKBFKWRB-NUJGCVRESA-N 2 0 316.489 3.566 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000414944604 334204208 /nfs/dbraw/zinc/20/42/08/334204208.db2.gz QGEQVKLIPPVMPY-UHFFFAOYSA-N 2 0 310.441 3.594 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414949449 334206437 /nfs/dbraw/zinc/20/64/37/334206437.db2.gz NLEHGEQNKNNAQI-QOJCHSLYSA-N 2 0 316.489 3.840 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414954316 334207972 /nfs/dbraw/zinc/20/79/72/334207972.db2.gz SNSQKZZEGITUTL-COPCDDAFSA-N 2 0 322.496 3.961 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)s2)cc1 ZINC000414959017 334211000 /nfs/dbraw/zinc/21/10/00/334211000.db2.gz WWHKZSLKTOYEPT-ZBFHGGJFSA-N 2 0 300.471 3.954 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000415084567 334272916 /nfs/dbraw/zinc/27/29/16/334272916.db2.gz OUQNZFKXEDSHDH-XYJFISCASA-N 2 0 304.478 3.760 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000295094265 334218356 /nfs/dbraw/zinc/21/83/56/334218356.db2.gz VEAJVGKTTUVADC-VTWRMFPLSA-N 2 0 306.881 3.904 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414986568 334228828 /nfs/dbraw/zinc/22/88/28/334228828.db2.gz IZSKANAAYSMGDG-RRFJBIMHSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H](CC[NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415085498 334274300 /nfs/dbraw/zinc/27/43/00/334274300.db2.gz IHQOCXNHGDTHHI-XJKSGUPXSA-N 2 0 314.395 3.931 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000414996430 334235016 /nfs/dbraw/zinc/23/50/16/334235016.db2.gz OLRIZNSIKSFWDW-DOTOQJQBSA-N 2 0 302.462 3.615 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414996964 334235328 /nfs/dbraw/zinc/23/53/28/334235328.db2.gz PAXDAQVGSJGHLO-ZWNOBZJWSA-N 2 0 317.260 3.609 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+]CCOc2ccccc2-c2ccccc2)CC[NH2+]1 ZINC000415086538 334274963 /nfs/dbraw/zinc/27/49/63/334274963.db2.gz RULAZTPZOOJUET-QZTJIDSGSA-N 2 0 324.468 3.710 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000415010760 334257097 /nfs/dbraw/zinc/25/70/97/334257097.db2.gz GSAPGGOJJQRPIU-QWHCGFSZSA-N 2 0 313.283 3.660 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)CCCC[NH3+])c(OC(F)F)cc1C ZINC000415016595 334258844 /nfs/dbraw/zinc/25/88/44/334258844.db2.gz PYHPVYQEHHQLMN-ZDUSSCGKSA-N 2 0 300.393 3.512 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000415017653 334258952 /nfs/dbraw/zinc/25/89/52/334258952.db2.gz FQPWRCXXRQYMAE-GHTZIAJQSA-N 2 0 310.485 3.948 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415018281 334259031 /nfs/dbraw/zinc/25/90/31/334259031.db2.gz UHQBOEKZFIZOHH-JTQLQIEISA-N 2 0 308.775 3.966 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000415022405 334259536 /nfs/dbraw/zinc/25/95/36/334259536.db2.gz ZHGXCTZOBVRAOS-SNVBAGLBSA-N 2 0 306.784 3.549 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H](C)CCCC[NH3+])CC2)cc1 ZINC000415022472 334259554 /nfs/dbraw/zinc/25/95/54/334259554.db2.gz ZQSAIVVQIBZTDX-HJOIGYKYSA-N 2 0 304.478 3.829 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000415026673 334259889 /nfs/dbraw/zinc/25/98/89/334259889.db2.gz UNPGABMAGBQVLI-HAQNSBGRSA-N 2 0 318.358 3.699 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000415028586 334260100 /nfs/dbraw/zinc/26/01/00/334260100.db2.gz ZAEMXYYCMNLOJH-STQMWFEESA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415031855 334260343 /nfs/dbraw/zinc/26/03/43/334260343.db2.gz HISMCCCPBOWZOT-UTUOFQBUSA-N 2 0 301.261 3.641 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415036026 334260442 /nfs/dbraw/zinc/26/04/42/334260442.db2.gz LAXWDBSBHBZVSP-ZANVPECISA-N 2 0 306.759 3.576 20 0 DHADRP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000415046523 334261230 /nfs/dbraw/zinc/26/12/30/334261230.db2.gz CQMKGOINACCFJE-QGZVFWFLSA-N 2 0 318.848 3.918 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415056987 334261651 /nfs/dbraw/zinc/26/16/51/334261651.db2.gz STSQCKGTLXKORJ-SFTDATJTSA-N 2 0 321.468 3.713 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1F ZINC000415055854 334261804 /nfs/dbraw/zinc/26/18/04/334261804.db2.gz PCJMWYHKOIBKIJ-SFHVURJKSA-N 2 0 316.420 3.794 20 0 DHADRP c1c2ccccc2sc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415060181 334261982 /nfs/dbraw/zinc/26/19/82/334261982.db2.gz YJHJRYFRWXLPDQ-DOTOQJQBSA-N 2 0 300.471 3.865 20 0 DHADRP COc1ccccc1/C=C/C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415060407 334262136 /nfs/dbraw/zinc/26/21/36/334262136.db2.gz WQWDJIZKHBXQNO-BEBFYNPSSA-N 2 0 310.441 3.778 20 0 DHADRP CCc1ccccc1[C@H]([NH3+])CNCc1cnc(CC(C)C)s1 ZINC000415068186 334262805 /nfs/dbraw/zinc/26/28/05/334262805.db2.gz QMFUZVGLXWKGEW-QGZVFWFLSA-N 2 0 317.502 3.694 20 0 DHADRP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000534496901 334277841 /nfs/dbraw/zinc/27/78/41/334277841.db2.gz KVMGWOTUFHDFEJ-CABCVRRESA-N 2 0 304.503 3.934 20 0 DHADRP CCOCCC1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CCCC1 ZINC000415090450 334280011 /nfs/dbraw/zinc/28/00/11/334280011.db2.gz OUXLVWBXJOYBLJ-MSOLQXFVSA-N 2 0 310.526 3.874 20 0 DHADRP COc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000534543156 334280435 /nfs/dbraw/zinc/28/04/35/334280435.db2.gz IHWSQDJLSNQTLA-HNNXBMFYSA-N 2 0 310.869 3.655 20 0 DHADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415093627 334280768 /nfs/dbraw/zinc/28/07/68/334280768.db2.gz CHYFDYCODDIHRG-IUODEOHRSA-N 2 0 302.384 3.772 20 0 DHADRP CC(C)C[C@H]([NH3+])C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000415098966 334281417 /nfs/dbraw/zinc/28/14/17/334281417.db2.gz GFMMTLAHYNOMJJ-HNNXBMFYSA-N 2 0 314.395 3.700 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415110280 334281863 /nfs/dbraw/zinc/28/18/63/334281863.db2.gz MXSFAXOCGGLEFP-ZIFCJYIRSA-N 2 0 303.494 3.693 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)s2)cc1 ZINC000415103245 334282853 /nfs/dbraw/zinc/28/28/53/334282853.db2.gz CYGWBUDWQXOXAJ-HOCLYGCPSA-N 2 0 315.486 3.535 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415115488 334283511 /nfs/dbraw/zinc/28/35/11/334283511.db2.gz YLUGCBLTKCFPRC-GTAWCEEGSA-N 2 0 316.489 3.665 20 0 DHADRP CC(C)c1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415129941 334285465 /nfs/dbraw/zinc/28/54/65/334285465.db2.gz VSBPGBRSJBSWSN-PMACEKPBSA-N 2 0 316.489 3.528 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415128858 334285476 /nfs/dbraw/zinc/28/54/76/334285476.db2.gz OJUUVVBLCXRVEH-VQIMIIECSA-N 2 0 324.468 3.779 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000531932741 334297199 /nfs/dbraw/zinc/29/71/99/334297199.db2.gz RZBNZDYSHRHZJZ-XLIONFOSSA-N 2 0 300.490 3.862 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000453604236 334297724 /nfs/dbraw/zinc/29/77/24/334297724.db2.gz YGONHLQPYPJSSA-UHFFFAOYSA-N 2 0 301.261 3.957 20 0 DHADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCSCc1ccccc1 ZINC000534871653 334342600 /nfs/dbraw/zinc/34/26/00/334342600.db2.gz KSYYPGBKPHKBLY-MOPGFXCFSA-N 2 0 318.530 3.869 20 0 DHADRP CN(C)[C@]1(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CCSC1 ZINC000534971762 334351006 /nfs/dbraw/zinc/35/10/06/334351006.db2.gz HQEJKFRMQOGBMZ-SJORKVTESA-N 2 0 324.921 3.744 20 0 DHADRP c1ccc(-c2cccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)c2)nc1 ZINC000343774565 335192114 /nfs/dbraw/zinc/19/21/14/335192114.db2.gz YDZUCPYTYSFQAE-UHFFFAOYSA-N 2 0 321.468 3.855 20 0 DHADRP CCCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000343935191 335203087 /nfs/dbraw/zinc/20/30/87/335203087.db2.gz XVHKIFHBDSWHFN-HXUWFJFHSA-N 2 0 317.521 3.535 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344097214 335217774 /nfs/dbraw/zinc/21/77/74/335217774.db2.gz IMTOKIFOYUQHCG-LJQANCHMSA-N 2 0 304.453 3.915 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000344171623 335227214 /nfs/dbraw/zinc/22/72/14/335227214.db2.gz AEVIHYPVCXTYML-RDJZCZTQSA-N 2 0 312.461 3.882 20 0 DHADRP CC(C)c1nccn1[C@@H]1CCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000366874870 335266253 /nfs/dbraw/zinc/26/62/53/335266253.db2.gz WDEVHQCASSGIKL-MRXNPFEDSA-N 2 0 315.465 3.621 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)C)sc2C1 ZINC000346135001 335379842 /nfs/dbraw/zinc/37/98/42/335379842.db2.gz GBAPHSNOCZIRBG-MRXNPFEDSA-N 2 0 321.534 3.920 20 0 DHADRP Cc1ccsc1C[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346185658 335382426 /nfs/dbraw/zinc/38/24/26/335382426.db2.gz VHWHVRHHAXNXTN-UHFFFAOYSA-N 2 0 303.456 3.936 20 0 DHADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1C ZINC000346158425 335383181 /nfs/dbraw/zinc/38/31/81/335383181.db2.gz UURTYFALLAHDKR-UHFFFAOYSA-N 2 0 320.440 3.906 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c3ncccc3c2)[C@@H](C)C1 ZINC000346221210 335385481 /nfs/dbraw/zinc/38/54/81/335385481.db2.gz OADUYJJTXFHFKQ-LPHOPBHVSA-N 2 0 311.473 3.705 20 0 DHADRP Cc1nccn1CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000346306567 335398313 /nfs/dbraw/zinc/39/83/13/335398313.db2.gz ISSJPAPQKHQTSQ-OAQYLSRUSA-N 2 0 317.436 3.991 20 0 DHADRP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000532205558 335915248 /nfs/dbraw/zinc/91/52/48/335915248.db2.gz JTGHIUGNZOUWKC-QGZVFWFLSA-N 2 0 304.478 3.852 20 0 DHADRP CSC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC000520462947 335980551 /nfs/dbraw/zinc/98/05/51/335980551.db2.gz IQGCTJDFPIUHAG-OLZOCXBDSA-N 2 0 324.456 3.525 20 0 DHADRP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000583637448 336006203 /nfs/dbraw/zinc/00/62/03/336006203.db2.gz UAWLTPBHUXVNFK-VAMGGRTRSA-N 2 0 316.489 3.616 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000351470537 336036262 /nfs/dbraw/zinc/03/62/62/336036262.db2.gz CWMKJRXGYHIDOU-IBGZPJMESA-N 2 0 303.494 3.621 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]CCC[N@H+](C)C(C)C ZINC000352091504 336194407 /nfs/dbraw/zinc/19/44/07/336194407.db2.gz KLRZWUNIBBLYAZ-GHRIWEEISA-N 2 0 304.478 3.556 20 0 DHADRP [NH3+]CCCN(Cc1nc2ccccc2s1)CC1CCCC1 ZINC000352526740 336222844 /nfs/dbraw/zinc/22/28/44/336222844.db2.gz RHKCCEOJQKXZOH-UHFFFAOYSA-N 2 0 303.475 3.637 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cn1 ZINC000352772097 336235506 /nfs/dbraw/zinc/23/55/06/336235506.db2.gz PNFSECLQMTTXLE-UHFFFAOYSA-N 2 0 311.473 3.774 20 0 DHADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352811296 336245097 /nfs/dbraw/zinc/24/50/97/336245097.db2.gz RQPMFPQZBXWBAX-KRWDZBQOSA-N 2 0 320.521 3.580 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000532476562 336251205 /nfs/dbraw/zinc/25/12/05/336251205.db2.gz QWPCVOHTLXDHKQ-ORAYPTAESA-N 2 0 302.437 3.523 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CCCC1 ZINC000532487292 336251808 /nfs/dbraw/zinc/25/18/08/336251808.db2.gz UIVNVNACINCOHH-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP FC1(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000526978181 336277717 /nfs/dbraw/zinc/27/77/17/336277717.db2.gz GSTLPZPOTBHHKW-UHFFFAOYSA-N 2 0 310.844 3.644 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192921323 336284271 /nfs/dbraw/zinc/28/42/71/336284271.db2.gz QKZMUEKPUMEHSO-MJGOQNOKSA-N 2 0 312.457 3.712 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000192935982 336285267 /nfs/dbraw/zinc/28/52/67/336285267.db2.gz GPSURHHTFHJCJJ-AZUAARDMSA-N 2 0 308.469 3.902 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000192935971 336285300 /nfs/dbraw/zinc/28/53/00/336285300.db2.gz GPSURHHTFHJCJJ-QUCCMNQESA-N 2 0 308.469 3.902 20 0 DHADRP Clc1cnccc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192955854 336285864 /nfs/dbraw/zinc/28/58/64/336285864.db2.gz LEYSBLWIGYCVGN-OAHLLOKOSA-N 2 0 301.821 3.669 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514099835 336304547 /nfs/dbraw/zinc/30/45/47/336304547.db2.gz RISBIVPGVXAXMT-COXVUDFISA-N 2 0 308.416 3.502 20 0 DHADRP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2ccccc2[nH+]1 ZINC000301418256 336305430 /nfs/dbraw/zinc/30/54/30/336305430.db2.gz GQJFXBCCAFSLIY-SJORKVTESA-N 2 0 309.457 3.995 20 0 DHADRP CCCc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c2ccccc2[nH+]1 ZINC000301795743 336330411 /nfs/dbraw/zinc/33/04/11/336330411.db2.gz PVGNNIFLTDIERK-KRWDZBQOSA-N 2 0 307.441 3.638 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000302037217 336344660 /nfs/dbraw/zinc/34/46/60/336344660.db2.gz MJQCBYOTCLACLX-INIZCTEOSA-N 2 0 309.457 3.780 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000302220311 336354535 /nfs/dbraw/zinc/35/45/35/336354535.db2.gz MADYMJGWAALWIA-OXJNMPFZSA-N 2 0 321.468 3.996 20 0 DHADRP COc1ccccc1[C@@H](CNc1cc[nH+]c(C)c1)[NH+]1CCCC1 ZINC000302257259 336356249 /nfs/dbraw/zinc/35/62/49/336356249.db2.gz CGJGSFQWOAWDDF-GOSISDBHSA-N 2 0 311.429 3.648 20 0 DHADRP FC1(F)CCC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000514116137 336367504 /nfs/dbraw/zinc/36/75/04/336367504.db2.gz XXLCRNUIFPMLBN-UXLLHSPISA-N 2 0 312.448 3.761 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000563910020 336382918 /nfs/dbraw/zinc/38/29/18/336382918.db2.gz AIWJOFBQBYOXJT-IEBWSBKVSA-N 2 0 310.526 3.636 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000355761157 336521288 /nfs/dbraw/zinc/52/12/88/336521288.db2.gz AXDFYWVRIKFNSD-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP c1nc(C2CCCC2)sc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357060316 336572189 /nfs/dbraw/zinc/57/21/89/336572189.db2.gz YIHOFCBJJWDZDU-INIZCTEOSA-N 2 0 319.518 3.622 20 0 DHADRP C[C@@H](c1cccnc1)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000360222067 336705036 /nfs/dbraw/zinc/70/50/36/336705036.db2.gz HYIWPPDSDRYADG-KRWDZBQOSA-N 2 0 301.478 3.587 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000368446046 336844906 /nfs/dbraw/zinc/84/49/06/336844906.db2.gz RUXAOJUDMRVIHL-JXFKEZNVSA-N 2 0 316.489 3.567 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000368446049 336844957 /nfs/dbraw/zinc/84/49/57/336844957.db2.gz RUXAOJUDMRVIHL-UZLBHIALSA-N 2 0 316.489 3.567 20 0 DHADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000121672336 336970211 /nfs/dbraw/zinc/97/02/11/336970211.db2.gz KIKVMHQUTVPAGA-IBGZPJMESA-N 2 0 304.478 3.858 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC(C)(C)O2)[C@H]1c1ccccc1 ZINC000375453115 337011390 /nfs/dbraw/zinc/01/13/90/337011390.db2.gz BELTXDDNWDJCHT-CEXWTWQISA-N 2 0 316.489 3.617 20 0 DHADRP CCCCCC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000375515544 337012619 /nfs/dbraw/zinc/01/26/19/337012619.db2.gz SMURFGRUWGFMOE-RHSMWYFYSA-N 2 0 309.523 3.832 20 0 DHADRP CCc1nc2ccccc2n1C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000375715856 337017662 /nfs/dbraw/zinc/01/76/62/337017662.db2.gz ZMZMSOFSRHQZAG-CQSZACIVSA-N 2 0 303.425 3.984 20 0 DHADRP CCc1nc2ccccc2n1C1CC[NH+](CC[C@H](C)F)CC1 ZINC000375715855 337017669 /nfs/dbraw/zinc/01/76/69/337017669.db2.gz ZMZMSOFSRHQZAG-AWEZNQCLSA-N 2 0 303.425 3.984 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000122681701 337018280 /nfs/dbraw/zinc/01/82/80/337018280.db2.gz LNFCOZDTZXAKIF-KRWDZBQOSA-N 2 0 304.503 3.935 20 0 DHADRP Cc1cc(N2CCC[C@@H](c3nccn3C)C2)c2cc(F)ccc2[nH+]1 ZINC000375947756 337024043 /nfs/dbraw/zinc/02/40/43/337024043.db2.gz MIZRWRRLOFUCEU-CQSZACIVSA-N 2 0 324.403 3.800 20 0 DHADRP COCCC1(C[NH+]2CCC([NH2+]C3CCCC3)CC2)CCCCC1 ZINC000376281973 337030561 /nfs/dbraw/zinc/03/05/61/337030561.db2.gz LTIFKGGLZAHXQM-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP C[N@H+]([C@H]1CCc2ccccc21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377690833 337058490 /nfs/dbraw/zinc/05/84/90/337058490.db2.gz GSSSIGWYUYFYDY-FQEVSTJZSA-N 2 0 307.441 3.670 20 0 DHADRP C[C@H](C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000377696770 337058714 /nfs/dbraw/zinc/05/87/14/337058714.db2.gz NLTDBUCXPXZXQG-QGZVFWFLSA-N 2 0 309.457 3.786 20 0 DHADRP FC(F)(F)c1cccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000378063925 337065790 /nfs/dbraw/zinc/06/57/90/337065790.db2.gz YBWLFCFKVCYUPD-UHFFFAOYSA-N 2 0 309.335 3.808 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000193803243 337080292 /nfs/dbraw/zinc/08/02/92/337080292.db2.gz PZFKAPVTNPOOQY-OAHLLOKOSA-N 2 0 322.518 3.563 20 0 DHADRP Cc1nc2ccc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2s1 ZINC000582546157 337103322 /nfs/dbraw/zinc/10/33/22/337103322.db2.gz CUDTYRWGXUFKCS-DOTOQJQBSA-N 2 0 315.486 3.711 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccsc2)[C@H](C)C1 ZINC000178333159 337163932 /nfs/dbraw/zinc/16/39/32/337163932.db2.gz YMQYOAMJACKXHL-HLLBOEOZSA-N 2 0 310.507 3.536 20 0 DHADRP COc1ccc([C@H]2CCCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178956459 337166602 /nfs/dbraw/zinc/16/66/02/337166602.db2.gz VOJOPKWDMZIIHC-LJQANCHMSA-N 2 0 302.462 3.612 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182062107 337186024 /nfs/dbraw/zinc/18/60/24/337186024.db2.gz RSNWNFBTPILMJH-SFHVURJKSA-N 2 0 320.452 3.751 20 0 DHADRP CN(CC[NH2+][C@@H](c1cccs1)C1CC1)Cc1ccccc1 ZINC000395701300 337226965 /nfs/dbraw/zinc/22/69/65/337226965.db2.gz LKJMVWLFZGPHGT-GOSISDBHSA-N 2 0 300.471 3.921 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000185522203 337248817 /nfs/dbraw/zinc/24/88/17/337248817.db2.gz PMQJIQGPYVJRPV-KNIAUWFNSA-N 2 0 318.427 3.771 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@H]2CCC[C@H]21 ZINC000583220735 337277613 /nfs/dbraw/zinc/27/76/13/337277613.db2.gz VAVKAZGOHUCAKB-QHAWAJNXSA-N 2 0 321.468 3.711 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1CCCC1 ZINC000583233152 337281448 /nfs/dbraw/zinc/28/14/48/337281448.db2.gz WLQZAWOCZOMBJS-SQFISAMPSA-N 2 0 324.415 3.767 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1cccc(C(C)(C)C)c1 ZINC000584477817 337347784 /nfs/dbraw/zinc/34/77/84/337347784.db2.gz XCNLHQREOYGCFY-RDJZCZTQSA-N 2 0 304.478 3.565 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000584524171 337355398 /nfs/dbraw/zinc/35/53/98/337355398.db2.gz OBLLEXVACRTELV-VJANTYMQSA-N 2 0 315.505 3.771 20 0 DHADRP C[N@H+](Cc1cccnc1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726038 337386663 /nfs/dbraw/zinc/38/66/63/337386663.db2.gz ULNRZGOYRHBFND-UHFFFAOYSA-N 2 0 323.484 3.816 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCCc2ccc(O)cc21)Cc1ccccc1 ZINC000310049221 337388443 /nfs/dbraw/zinc/38/84/43/337388443.db2.gz KQOBNMNJGPPEOG-OAQYLSRUSA-N 2 0 324.468 3.881 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000124381075 337405059 /nfs/dbraw/zinc/40/50/59/337405059.db2.gz TXRXOYGIOJWTIK-QGZVFWFLSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000420422809 337501172 /nfs/dbraw/zinc/50/11/72/337501172.db2.gz ZTIMMWBWTMERQW-CHWSQXEVSA-N 2 0 316.367 3.626 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421381947 337529446 /nfs/dbraw/zinc/52/94/46/337529446.db2.gz XPZOOWYEIXNPNG-DTQAZKPQSA-N 2 0 316.489 3.699 20 0 DHADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC12CCSCC2 ZINC000421371931 337533291 /nfs/dbraw/zinc/53/32/91/337533291.db2.gz FECDMLZEAYDEIA-INIZCTEOSA-N 2 0 322.562 3.906 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2c1C ZINC000422724569 337684073 /nfs/dbraw/zinc/68/40/73/337684073.db2.gz WAWRFNOWDCSLQV-QXAKKESOSA-N 2 0 311.473 3.795 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724518 337684092 /nfs/dbraw/zinc/68/40/92/337684092.db2.gz VWSUUVNUDKXBPG-ZBFHGGJFSA-N 2 0 314.395 3.745 20 0 DHADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422725006 337684219 /nfs/dbraw/zinc/68/42/19/337684219.db2.gz XHEWXFTZXKHTCT-UBLGTCEWSA-N 2 0 316.489 3.668 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000422728791 337684422 /nfs/dbraw/zinc/68/44/22/337684422.db2.gz ARXLEFLPAMUAGM-IEBWSBKVSA-N 2 0 315.505 3.556 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737454 337684483 /nfs/dbraw/zinc/68/44/83/337684483.db2.gz ZMYNEVPDDSROGO-DYESRHJHSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]1C ZINC000422736968 337684564 /nfs/dbraw/zinc/68/45/64/337684564.db2.gz WSFXLFDCBKITFH-YCWKWXDGSA-N 2 0 314.473 3.657 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000422752088 337685000 /nfs/dbraw/zinc/68/50/00/337685000.db2.gz GVZSCSMJORSNTR-ZMSDIMECSA-N 2 0 320.477 3.523 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422751581 337685069 /nfs/dbraw/zinc/68/50/69/337685069.db2.gz BOTIVTZATGJCLB-HNAWSFBYSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772410 337685808 /nfs/dbraw/zinc/68/58/08/337685808.db2.gz YHZCYICHDMIJSB-JOQOYGCGSA-N 2 0 314.454 3.655 20 0 DHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422769684 337685813 /nfs/dbraw/zinc/68/58/13/337685813.db2.gz WAJVWABBAYROTD-UJWQCDCRSA-N 2 0 322.537 3.728 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422775854 337686079 /nfs/dbraw/zinc/68/60/79/337686079.db2.gz BMPHTXRIZMEYOP-XWPNQZOQSA-N 2 0 316.489 3.699 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422795211 337686906 /nfs/dbraw/zinc/68/69/06/337686906.db2.gz ZZKUESCOHIWFKO-JMVFIXPQSA-N 2 0 314.473 3.801 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422794934 337687067 /nfs/dbraw/zinc/68/70/67/337687067.db2.gz UUOITSYNUDOOBL-UONOGXRCSA-N 2 0 315.486 3.680 20 0 DHADRP Cc1cccc(Oc2cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccn2)c1C ZINC000422803438 337687339 /nfs/dbraw/zinc/68/73/39/337687339.db2.gz FYNQKAGPUROKND-CABCVRRESA-N 2 0 313.445 3.706 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422811994 337687607 /nfs/dbraw/zinc/68/76/07/337687607.db2.gz VRUXOCJSIQLAPF-FYQPLNBISA-N 2 0 316.489 3.712 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422810179 337687699 /nfs/dbraw/zinc/68/76/99/337687699.db2.gz SZRSCKCYFUDRSQ-WMLDXEAASA-N 2 0 309.457 3.619 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000422808353 337687724 /nfs/dbraw/zinc/68/77/24/337687724.db2.gz KWSLRPGJYWPKHD-CHWSQXEVSA-N 2 0 302.384 3.916 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422839908 337688670 /nfs/dbraw/zinc/68/86/70/337688670.db2.gz AQRRWQCNBREIAQ-CQSZACIVSA-N 2 0 310.432 3.884 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000422872231 337689354 /nfs/dbraw/zinc/68/93/54/337689354.db2.gz GFOOKQVJTBNAMJ-CBCUQQMYSA-N 2 0 320.452 3.783 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422874188 337689500 /nfs/dbraw/zinc/68/95/00/337689500.db2.gz NGCWFWCRNUTCHV-HJOIGYKYSA-N 2 0 304.478 3.779 20 0 DHADRP C[C@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)C1C[NH2+]C1 ZINC000422890937 337690323 /nfs/dbraw/zinc/69/03/23/337690323.db2.gz JOYQATIIBMOZHX-SFHVURJKSA-N 2 0 322.496 3.818 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000422906031 337690715 /nfs/dbraw/zinc/69/07/15/337690715.db2.gz TZCIGCROPVNPBL-IXDOHACOSA-N 2 0 321.534 3.709 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422908826 337690908 /nfs/dbraw/zinc/69/09/08/337690908.db2.gz ZMKSMWPSIFJZMR-USXIJHARSA-N 2 0 316.420 3.891 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422912785 337691041 /nfs/dbraw/zinc/69/10/41/337691041.db2.gz OASTUACGIBLRKV-ZBFHGGJFSA-N 2 0 321.534 3.711 20 0 DHADRP c1ccc2ncc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000422915877 337691344 /nfs/dbraw/zinc/69/13/44/337691344.db2.gz ZHUMLRUGTHDCEE-DFQSSKMNSA-N 2 0 309.457 3.635 20 0 DHADRP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919998 337691400 /nfs/dbraw/zinc/69/14/00/337691400.db2.gz LLEUBAOHLSJUJF-MFWIUYSUSA-N 2 0 302.462 3.657 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H](C)CCC[NH3+])c2ccc(C)cc2)cc1 ZINC000422937586 337692369 /nfs/dbraw/zinc/69/23/69/337692369.db2.gz OIFDCKZAJSRIPA-UZLBHIALSA-N 2 0 312.457 3.810 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422937765 337692481 /nfs/dbraw/zinc/69/24/81/337692481.db2.gz ORRILXPJZRJLBR-OLZOCXBDSA-N 2 0 303.475 3.897 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422939505 337692581 /nfs/dbraw/zinc/69/25/81/337692581.db2.gz FXBFPSBEKQWSEX-OAGGEKHMSA-N 2 0 322.518 3.531 20 0 DHADRP c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422900766 337693192 /nfs/dbraw/zinc/69/31/92/337693192.db2.gz JYPIGXYPABRECS-GVDBMIGSSA-N 2 0 300.471 3.912 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422984428 337693704 /nfs/dbraw/zinc/69/37/04/337693704.db2.gz AWEZKFFLFTYVMU-ZTNFWEORSA-N 2 0 308.425 3.593 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H](COc2ccccc2)c2ccccc2)CC1 ZINC000422951755 337694575 /nfs/dbraw/zinc/69/45/75/337694575.db2.gz AAWSZDFKLBCZTR-XTXLOEGASA-N 2 0 324.468 3.914 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000422953244 337694666 /nfs/dbraw/zinc/69/46/66/337694666.db2.gz FAKATSQYEUEJTQ-ZEPSKSRBSA-N 2 0 323.278 3.544 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422957294 337694903 /nfs/dbraw/zinc/69/49/03/337694903.db2.gz NCUYXMXCFSITKY-VXGBXAGGSA-N 2 0 300.368 3.800 20 0 DHADRP CC1CCC(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422974437 337695324 /nfs/dbraw/zinc/69/53/24/337695324.db2.gz QYLDLYLTNICOKC-BPCFOJMASA-N 2 0 314.473 3.658 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423030882 337696419 /nfs/dbraw/zinc/69/64/19/337696419.db2.gz KBOZVNTUXZDYDO-XOQVMUHJSA-N 2 0 304.453 3.830 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000423036595 337696726 /nfs/dbraw/zinc/69/67/26/337696726.db2.gz ARKVTNQTXHOYFX-OWYHZJEWSA-N 2 0 310.526 3.871 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000423057049 337697547 /nfs/dbraw/zinc/69/75/47/337697547.db2.gz GRRNYCHQAHPORM-LALPHHSUSA-N 2 0 300.368 3.539 20 0 DHADRP FC(F)(F)c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423060057 337697685 /nfs/dbraw/zinc/69/76/85/337697685.db2.gz NHLZVYGFHMLEDW-XYPWUTKMSA-N 2 0 324.390 3.610 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423075734 337698378 /nfs/dbraw/zinc/69/83/78/337698378.db2.gz XRVPDBHGRBIYMV-XUVXKRRUSA-N 2 0 316.489 3.794 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092322 337699037 /nfs/dbraw/zinc/69/90/37/337699037.db2.gz BIZTVNPVRQTBHF-YEWWUXTCSA-N 2 0 313.420 3.585 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423098635 337699440 /nfs/dbraw/zinc/69/94/40/337699440.db2.gz CZYUPKLJEFZXEL-PGUXBMHVSA-N 2 0 316.367 3.752 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423098630 337699445 /nfs/dbraw/zinc/69/94/45/337699445.db2.gz CZLPPGYUVGWXJV-OCCSQVGLSA-N 2 0 300.899 3.831 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423105709 337699691 /nfs/dbraw/zinc/69/96/91/337699691.db2.gz ZJSDTNMYZHBOLL-QDGKJQRMSA-N 2 0 316.464 3.972 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423112649 337700032 /nfs/dbraw/zinc/70/00/32/337700032.db2.gz SMJYBTLKIMMWEA-RCCFBDPRSA-N 2 0 304.503 3.560 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423165435 337702125 /nfs/dbraw/zinc/70/21/25/337702125.db2.gz QAEGNYYEQGUNAG-NJAFHUGGSA-N 2 0 324.896 3.710 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423171071 337702237 /nfs/dbraw/zinc/70/22/37/337702237.db2.gz NIWCCDIISUCEFD-PBHICJAKSA-N 2 0 306.881 3.640 20 0 DHADRP Fc1cc(F)cc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423169570 337702255 /nfs/dbraw/zinc/70/22/55/337702255.db2.gz ZJGNMUJVWRKDAN-DFNIBXOVSA-N 2 0 320.427 3.502 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423199387 337703572 /nfs/dbraw/zinc/70/35/72/337703572.db2.gz JZONDGUDVHOHGR-HNNXBMFYSA-N 2 0 315.486 3.695 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000423203638 337703821 /nfs/dbraw/zinc/70/38/21/337703821.db2.gz CRZMOOPBTMCQFO-HOTGVXAUSA-N 2 0 320.477 3.524 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000423214589 337704528 /nfs/dbraw/zinc/70/45/28/337704528.db2.gz LHZJGMLHFQFPAL-IOTAOYMUSA-N 2 0 320.452 3.720 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423219087 337705141 /nfs/dbraw/zinc/70/51/41/337705141.db2.gz WBJJCFWECJQWSC-HNAYVOBHSA-N 2 0 302.462 3.516 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423227185 337705845 /nfs/dbraw/zinc/70/58/45/337705845.db2.gz UTDNMTOFIOFHJF-GXTWGEPZSA-N 2 0 301.459 3.514 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423247247 337707040 /nfs/dbraw/zinc/70/70/40/337707040.db2.gz KWAOWDXPJSQBNB-WDEREUQCSA-N 2 0 318.795 3.592 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)ccc1Cl ZINC000423253264 337707566 /nfs/dbraw/zinc/70/75/66/337707566.db2.gz VPXIVAZOWOHUMB-HZPDHXFCSA-N 2 0 324.896 3.785 20 0 DHADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423253102 337707658 /nfs/dbraw/zinc/70/76/58/337707658.db2.gz VCNZGNMRNCBITC-QFBILLFUSA-N 2 0 304.478 3.762 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423256285 337707684 /nfs/dbraw/zinc/70/76/84/337707684.db2.gz DVIAFTGWMXWAGX-BBRMVZONSA-N 2 0 312.404 3.718 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423258027 337707828 /nfs/dbraw/zinc/70/78/28/337707828.db2.gz LGVISDOBGWPSIH-IAGOWNOFSA-N 2 0 309.457 3.789 20 0 DHADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423261382 337708083 /nfs/dbraw/zinc/70/80/83/337708083.db2.gz SBOZSZRQWNERAV-UZLBHIALSA-N 2 0 312.432 3.894 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423264800 337708149 /nfs/dbraw/zinc/70/81/49/337708149.db2.gz ZCGBXBCTKQASHH-HZPDHXFCSA-N 2 0 312.457 3.889 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423264088 337708165 /nfs/dbraw/zinc/70/81/65/337708165.db2.gz YAADHRAENPDTIW-WFASDCNBSA-N 2 0 310.894 3.856 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423264772 337708234 /nfs/dbraw/zinc/70/82/34/337708234.db2.gz YZFRKIIHDHDDOK-CZUORRHYSA-N 2 0 310.869 3.779 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423277525 337708929 /nfs/dbraw/zinc/70/89/29/337708929.db2.gz OJBIXCNNIHLBGT-YUTCNCBUSA-N 2 0 309.523 3.917 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292637 337710425 /nfs/dbraw/zinc/71/04/25/337710425.db2.gz NPIIAEQWHHOSRJ-SGTLLEGYSA-N 2 0 314.404 3.631 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000423293563 337710505 /nfs/dbraw/zinc/71/05/05/337710505.db2.gz RSZSYZWIEQIACV-CVEARBPZSA-N 2 0 320.440 3.743 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423306830 337711328 /nfs/dbraw/zinc/71/13/28/337711328.db2.gz MBCBBHSZDFEVPX-ZLDLUXBVSA-N 2 0 300.368 3.526 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423308890 337711363 /nfs/dbraw/zinc/71/13/63/337711363.db2.gz PCSIOKRGALBBKN-MLGOLLRUSA-N 2 0 308.878 3.870 20 0 DHADRP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423316360 337711701 /nfs/dbraw/zinc/71/17/01/337711701.db2.gz ANGBBMAEYHBJDP-YOEHRIQHSA-N 2 0 312.404 3.718 20 0 DHADRP CC1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423319672 337711830 /nfs/dbraw/zinc/71/18/30/337711830.db2.gz DQMGCUVRDDMMGZ-CQSZACIVSA-N 2 0 310.894 3.856 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423319395 337711862 /nfs/dbraw/zinc/71/18/62/337711862.db2.gz FDZCXCHYTWAMRI-KRWDZBQOSA-N 2 0 306.812 3.897 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423328873 337712316 /nfs/dbraw/zinc/71/23/16/337712316.db2.gz MIFXIRFVEREKER-QFBILLFUSA-N 2 0 304.478 3.762 20 0 DHADRP COc1ccc([C@H]([NH2+]CCCC[NH3+])c2ccccc2Cl)cc1 ZINC000423336101 337712801 /nfs/dbraw/zinc/71/28/01/337712801.db2.gz UQQGJGSKJQAAFQ-SFHVURJKSA-N 2 0 318.848 3.767 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423345337 337713148 /nfs/dbraw/zinc/71/31/48/337713148.db2.gz YUDTTZJNYDOJCY-CYBMUJFWSA-N 2 0 310.869 3.779 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423344793 337713188 /nfs/dbraw/zinc/71/31/88/337713188.db2.gz YBUJPQHTRIGFRE-LBPRGKRZSA-N 2 0 300.368 3.746 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)cs2)cs1 ZINC000423362525 337714534 /nfs/dbraw/zinc/71/45/34/337714534.db2.gz BDCRVSNSMZYOIL-COPLHBTASA-N 2 0 321.515 3.829 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000423398744 337715540 /nfs/dbraw/zinc/71/55/40/337715540.db2.gz VKCGNSOXNJSGLG-MBNYWOFBSA-N 2 0 314.445 3.835 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423400351 337715586 /nfs/dbraw/zinc/71/55/86/337715586.db2.gz QGNYGMMPQPVOLX-FIKXCTNHSA-N 2 0 316.489 3.550 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423400758 337715607 /nfs/dbraw/zinc/71/56/07/337715607.db2.gz QHYCTKHNUBIZSH-KCPJHIHWSA-N 2 0 310.894 3.855 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423406510 337715940 /nfs/dbraw/zinc/71/59/40/337715940.db2.gz YUSCVCOKHHLEJT-FQEVSTJZSA-N 2 0 322.452 3.910 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423419868 337716716 /nfs/dbraw/zinc/71/67/16/337716716.db2.gz BEKLAOIGGKICMQ-XHDPSFHLSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423419864 337716732 /nfs/dbraw/zinc/71/67/32/337716732.db2.gz BEKLAOIGGKICMQ-IAQYHMDHSA-N 2 0 311.267 3.544 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000423421324 337716742 /nfs/dbraw/zinc/71/67/42/337716742.db2.gz KCOFTPHQCWAQMX-XJKCOSOUSA-N 2 0 308.466 3.717 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000423421293 337716807 /nfs/dbraw/zinc/71/68/07/337716807.db2.gz KAOVENUMOFLLJT-SPYBWZPUSA-N 2 0 311.473 3.900 20 0 DHADRP Clc1cccc2c1CCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423425948 337717005 /nfs/dbraw/zinc/71/70/05/337717005.db2.gz DSSHVURARUSWHX-CGTJXYLNSA-N 2 0 304.865 3.695 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423394974 337718638 /nfs/dbraw/zinc/71/86/38/337718638.db2.gz ROACJQLOPZCAON-FQEVSTJZSA-N 2 0 322.452 3.811 20 0 DHADRP CSC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423453855 337720285 /nfs/dbraw/zinc/72/02/85/337720285.db2.gz KZFVCFNYKGHDSR-RISCZKNCSA-N 2 0 320.424 3.827 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000423457198 337720385 /nfs/dbraw/zinc/72/03/85/337720385.db2.gz HTPLVXVSGYAPNP-YDHLFZDLSA-N 2 0 312.404 3.846 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])sc1Br ZINC000423461740 337720616 /nfs/dbraw/zinc/72/06/16/337720616.db2.gz SZOCDSMXWLGBBC-NXEZZACHSA-N 2 0 305.285 3.597 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000423461729 337720618 /nfs/dbraw/zinc/72/06/18/337720618.db2.gz OFXFJKXBWGXMDZ-SGIREYDYSA-N 2 0 323.278 3.544 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)oc21 ZINC000423463926 337720619 /nfs/dbraw/zinc/72/06/19/337720619.db2.gz GBPFZGJVMHVBFW-GUTXKFCHSA-N 2 0 302.418 3.610 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423466885 337720920 /nfs/dbraw/zinc/72/09/20/337720920.db2.gz NROPNKZNCKKVPT-LWWSYDQCSA-N 2 0 300.368 3.667 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000423466662 337720932 /nfs/dbraw/zinc/72/09/32/337720932.db2.gz ISRFKWXZEQEKMY-XCRHUMRWSA-N 2 0 306.881 3.768 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000423471332 337721144 /nfs/dbraw/zinc/72/11/44/337721144.db2.gz FBOWAKBVDSEXPR-TZMCWYRMSA-N 2 0 316.367 3.768 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423471411 337721255 /nfs/dbraw/zinc/72/12/55/337721255.db2.gz FECPEKHWPWUDJK-SWLSCSKDSA-N 2 0 311.267 3.632 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423471810 337721304 /nfs/dbraw/zinc/72/13/04/337721304.db2.gz ZTMHPKNGAZXCFC-TZMCWYRMSA-N 2 0 300.899 3.928 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423485250 337722223 /nfs/dbraw/zinc/72/22/23/337722223.db2.gz AWPCWZMQZUROJC-BQFCYCMXSA-N 2 0 304.478 3.890 20 0 DHADRP Brc1cccc2c1CC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423486977 337722315 /nfs/dbraw/zinc/72/23/15/337722315.db2.gz TYGIDIIRHGIZTR-LRDDRELGSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1nc2ccccc2n1C ZINC000423497274 337722976 /nfs/dbraw/zinc/72/29/76/337722976.db2.gz GIHAQSHBVFGHJN-RDJZCZTQSA-N 2 0 322.456 3.704 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000423519857 337724385 /nfs/dbraw/zinc/72/43/85/337724385.db2.gz QQLJDTYVCAJFNL-NMLBUPMWSA-N 2 0 316.489 3.652 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000423533505 337724677 /nfs/dbraw/zinc/72/46/77/337724677.db2.gz XQNYKQKUZFDQMN-WMZOPIPTSA-N 2 0 320.452 3.592 20 0 DHADRP Clc1cccc([C@H]2CC[C@H]([NH2+]CCC3=CC[NH2+]CC3)C2)c1 ZINC000423536079 337724886 /nfs/dbraw/zinc/72/48/86/337724886.db2.gz GKOYKHWOCQBQLP-WMZOPIPTSA-N 2 0 304.865 3.876 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423543866 337725280 /nfs/dbraw/zinc/72/52/80/337725280.db2.gz HYVKQPCHPOKTAG-XTDOFWJNSA-N 2 0 309.457 3.523 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000423546487 337725346 /nfs/dbraw/zinc/72/53/46/337725346.db2.gz FIOMXJOQYWORON-GFCCVEGCSA-N 2 0 314.351 3.546 20 0 DHADRP Cc1cc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)ccc1F ZINC000423545305 337725350 /nfs/dbraw/zinc/72/53/50/337725350.db2.gz PDOLTRBXIMQPJD-SFNKJDCFSA-N 2 0 302.437 3.563 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(F)ccc1F ZINC000423555589 337725467 /nfs/dbraw/zinc/72/54/67/337725467.db2.gz YCCCGOPNWMCDDI-OVAAFMSASA-N 2 0 308.416 3.640 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527908089 337770486 /nfs/dbraw/zinc/77/04/86/337770486.db2.gz CTZFYKTWKCCVTB-FVKWTLKZSA-N 2 0 310.844 3.929 20 0 DHADRP CC1(C)CC([NH2+]Cc2ccc(F)c3cccnc23)CC(C)(C)[NH2+]1 ZINC000120964412 337882591 /nfs/dbraw/zinc/88/25/91/337882591.db2.gz CAIXWQLVWFJTHT-UHFFFAOYSA-N 2 0 315.436 3.773 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000090775405 337885282 /nfs/dbraw/zinc/88/52/82/337885282.db2.gz QKJPVHOGUBAFAP-CTWPCTMYSA-N 2 0 318.509 3.504 20 0 DHADRP CC[C@H](C)C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000093079262 337911834 /nfs/dbraw/zinc/91/18/34/337911834.db2.gz BMBNELRAALVHIV-SFHVURJKSA-N 2 0 318.505 3.693 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000516117414 338005674 /nfs/dbraw/zinc/00/56/74/338005674.db2.gz CSMUYCVVGLWRQE-VQTJNVASSA-N 2 0 300.490 3.769 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000516117415 338005702 /nfs/dbraw/zinc/00/57/02/338005702.db2.gz CSMUYCVVGLWRQE-WOJBJXKFSA-N 2 0 300.490 3.769 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000516210122 338007477 /nfs/dbraw/zinc/00/74/77/338007477.db2.gz ANUHEDXMGPCGRH-CMKODMSKSA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)(C)c1ccc(CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000516356860 338010664 /nfs/dbraw/zinc/01/06/64/338010664.db2.gz IJJPNBMKNDBEHG-QGZVFWFLSA-N 2 0 300.490 3.601 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429372817 338078837 /nfs/dbraw/zinc/07/88/37/338078837.db2.gz OVYAVYCIBBIEJZ-KRWDZBQOSA-N 2 0 318.505 3.966 20 0 DHADRP C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000429542368 338083362 /nfs/dbraw/zinc/08/33/62/338083362.db2.gz YAIMFDNQVDCMGJ-AWEZNQCLSA-N 2 0 301.261 3.910 20 0 DHADRP C[N@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709597 338087937 /nfs/dbraw/zinc/08/79/37/338087937.db2.gz QWMSJVZZLWGREB-HXUWFJFHSA-N 2 0 316.489 3.542 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430586173 338109202 /nfs/dbraw/zinc/10/92/02/338109202.db2.gz VKMNKFPNJDLXSG-LPHOPBHVSA-N 2 0 312.457 3.668 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSCc2ccccc2)[C@H](C)C1 ZINC000430750965 338113701 /nfs/dbraw/zinc/11/37/01/338113701.db2.gz QYAJPXPKBYIGMD-SJLPKXTDSA-N 2 0 306.519 3.582 20 0 DHADRP CCC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CC[NH2+]CC1 ZINC000431098340 338122504 /nfs/dbraw/zinc/12/25/04/338122504.db2.gz CTFVSQOMYUBOFQ-UHFFFAOYSA-N 2 0 316.489 3.778 20 0 DHADRP C[C@@H](c1c(F)cccc1F)N1CC[C@@H](Oc2ccncc2)C1 ZINC000431147973 338124119 /nfs/dbraw/zinc/12/41/19/338124119.db2.gz VZMILBPVONOIDT-GXTWGEPZSA-N 2 0 304.340 3.574 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432255686 338151458 /nfs/dbraw/zinc/15/14/58/338151458.db2.gz DDARXJBRWDPKKY-UHFFFAOYSA-N 2 0 307.290 3.876 20 0 DHADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432413440 338155357 /nfs/dbraw/zinc/15/53/57/338155357.db2.gz MOEYIJGXGUIWCC-AOIWGVFYSA-N 2 0 316.489 3.634 20 0 DHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCc3ccccc32)CCCO1 ZINC000432416930 338155619 /nfs/dbraw/zinc/15/56/19/338155619.db2.gz STPYCYQGOKHQGP-YLJYHZDGSA-N 2 0 316.489 3.545 20 0 DHADRP CC(C)(C)OC1CC(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000432421941 338156029 /nfs/dbraw/zinc/15/60/29/338156029.db2.gz RDUUBSBIZOGWAZ-UHFFFAOYSA-N 2 0 310.526 3.823 20 0 DHADRP CCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423843 338156093 /nfs/dbraw/zinc/15/60/93/338156093.db2.gz LJJIRPWBTHXEJU-ROUUACIJSA-N 2 0 318.505 3.791 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000432793618 338168096 /nfs/dbraw/zinc/16/80/96/338168096.db2.gz PPKUUHBYFQVMDR-AABGKKOBSA-N 2 0 300.490 3.913 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CCC2)cc1C ZINC000433074277 338180301 /nfs/dbraw/zinc/18/03/01/338180301.db2.gz HYJMTBULBVXVRM-IEBWSBKVSA-N 2 0 300.490 3.797 20 0 DHADRP CSC1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000433196224 338185274 /nfs/dbraw/zinc/18/52/74/338185274.db2.gz HJTQGFBPVVRLAL-UHFFFAOYSA-N 2 0 306.519 3.630 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000152509421 338206154 /nfs/dbraw/zinc/20/61/54/338206154.db2.gz RPXIDRBUXZYEQP-CABCVRRESA-N 2 0 310.457 3.995 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000435383506 338238440 /nfs/dbraw/zinc/23/84/40/338238440.db2.gz HHHMTJJVRIHQOF-KRWDZBQOSA-N 2 0 310.441 3.533 20 0 DHADRP COc1ccccc1-c1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000435393527 338238805 /nfs/dbraw/zinc/23/88/05/338238805.db2.gz GQTUTQVXAIHZBD-MRXNPFEDSA-N 2 0 324.468 3.921 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)CC1CCOCC1 ZINC000435731577 338246728 /nfs/dbraw/zinc/24/67/28/338246728.db2.gz LXCABKFHONWQGO-FXAWDEMLSA-N 2 0 322.537 3.826 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436274963 338265037 /nfs/dbraw/zinc/26/50/37/338265037.db2.gz NXNZYOHNCKHSCO-ZCNNSNEGSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H](C[NH2+]Cc1cc2c(cccc2F)[nH]1)C[NH+]1CCCCC1 ZINC000436286711 338266126 /nfs/dbraw/zinc/26/61/26/338266126.db2.gz HLTFNAXLPQNXPF-AWEZNQCLSA-N 2 0 303.425 3.519 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCC1 ZINC000436301487 338267692 /nfs/dbraw/zinc/26/76/92/338267692.db2.gz ZGQPVDKCGSIKQQ-WMZOPIPTSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436471095 338273313 /nfs/dbraw/zinc/27/33/13/338273313.db2.gz QWTDBJFDKVMRPM-YWZLYKJASA-N 2 0 307.441 3.574 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccc(F)cc1 ZINC000438097454 338331421 /nfs/dbraw/zinc/33/14/21/338331421.db2.gz TXZXTNPAENATTQ-NVXWUHKLSA-N 2 0 304.453 3.593 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000447570201 338557738 /nfs/dbraw/zinc/55/77/38/338557738.db2.gz GAEARFKRRNJIGZ-LJQANCHMSA-N 2 0 302.437 3.667 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000447574151 338558196 /nfs/dbraw/zinc/55/81/96/338558196.db2.gz UQRMDUHFVKMFLN-MRXNPFEDSA-N 2 0 316.489 3.999 20 0 DHADRP CSCC1CCC([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000449059275 338589263 /nfs/dbraw/zinc/58/92/63/338589263.db2.gz AWVRWNFPESNVGH-UHFFFAOYSA-N 2 0 306.519 3.760 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2CCOCC2)CC1 ZINC000449112638 338594470 /nfs/dbraw/zinc/59/44/70/338594470.db2.gz DFJSGRTXIXDOIC-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449175982 338599387 /nfs/dbraw/zinc/59/93/87/338599387.db2.gz LLJVXGOFRIXYBY-BZSNNMDCSA-N 2 0 308.510 3.578 20 0 DHADRP CCC1([NH2+]CC2(C[NH2+]C3(CC)CCCC3)COC2)CCCC1 ZINC000451276549 338727949 /nfs/dbraw/zinc/72/79/49/338727949.db2.gz PBMOBVNGWPWWBW-UHFFFAOYSA-N 2 0 308.510 3.628 20 0 DHADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc2ccccc21 ZINC000453315119 338823277 /nfs/dbraw/zinc/82/32/77/338823277.db2.gz UUSPNARHYFOJQU-UHFFFAOYSA-N 2 0 312.457 3.811 20 0 DHADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000459427941 339028683 /nfs/dbraw/zinc/02/86/83/339028683.db2.gz ALXLYAWWJATQST-UHFFFAOYSA-N 2 0 301.478 3.856 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)[C@@H](C)C2 ZINC000459469393 339031092 /nfs/dbraw/zinc/03/10/92/339031092.db2.gz SENXVNNWYDNBQL-KKSFZXQISA-N 2 0 321.468 3.882 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000459537474 339034617 /nfs/dbraw/zinc/03/46/17/339034617.db2.gz YDSFFNRNFRFLED-BRWVUGGUSA-N 2 0 301.478 3.712 20 0 DHADRP c1ccc2c(c1)CC[C@H]2CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459562206 339035836 /nfs/dbraw/zinc/03/58/36/339035836.db2.gz FONRMVLQOYCARK-SFHVURJKSA-N 2 0 321.468 3.760 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000459670600 339042116 /nfs/dbraw/zinc/04/21/16/339042116.db2.gz UEVKDHJNDRKVHQ-UAXWRAGISA-N 2 0 310.844 3.655 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000459733157 339045000 /nfs/dbraw/zinc/04/50/00/339045000.db2.gz GKWHLJNQCMNEOG-MJJDPTRDSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)s2)o1 ZINC000459742406 339045632 /nfs/dbraw/zinc/04/56/32/339045632.db2.gz WDQAIVGQHIDKGQ-AWEZNQCLSA-N 2 0 319.474 3.533 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000459746156 339045910 /nfs/dbraw/zinc/04/59/10/339045910.db2.gz YZZXVCWLXLKLSM-ZDUSSCGKSA-N 2 0 300.368 3.527 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459754993 339046417 /nfs/dbraw/zinc/04/64/17/339046417.db2.gz JNDLYKKXLKKGKI-AGKXRFJRSA-N 2 0 312.501 3.860 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459784623 339048383 /nfs/dbraw/zinc/04/83/83/339048383.db2.gz OCNLGKGUHALZNQ-QRVBRYPASA-N 2 0 315.505 3.738 20 0 DHADRP COc1cc2ccccc2cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459790091 339048823 /nfs/dbraw/zinc/04/88/23/339048823.db2.gz QTAKXKBDVKUBTE-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459798045 339049102 /nfs/dbraw/zinc/04/91/02/339049102.db2.gz XKNMWMNBWWAEFL-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP COc1cccc2c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cccc12 ZINC000459799070 339049170 /nfs/dbraw/zinc/04/91/70/339049170.db2.gz YGHWFAJYRYBALD-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCCc2ccncc2)CC1 ZINC000462467420 339079536 /nfs/dbraw/zinc/07/95/36/339079536.db2.gz UHTOVWQLFSOWPS-UHFFFAOYSA-N 2 0 317.521 3.848 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000462481484 339079800 /nfs/dbraw/zinc/07/98/00/339079800.db2.gz AMIPTVFEMMAGBM-WMZOPIPTSA-N 2 0 309.457 3.772 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000462797430 339089353 /nfs/dbraw/zinc/08/93/53/339089353.db2.gz DGUIUALDJVOHFO-FUMNGEBKSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000462802927 339089928 /nfs/dbraw/zinc/08/99/28/339089928.db2.gz IWCOPNYLCVYKJE-FGTMMUONSA-N 2 0 310.526 3.680 20 0 DHADRP COCC1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCC1 ZINC000463111668 339106188 /nfs/dbraw/zinc/10/61/88/339106188.db2.gz XBNVATZXNMEOEN-GOSISDBHSA-N 2 0 322.537 3.780 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCC3CCOCC3)C2)CC1 ZINC000463283553 339113284 /nfs/dbraw/zinc/11/32/84/339113284.db2.gz UMLOVGFHRGGVDZ-HXUWFJFHSA-N 2 0 322.537 3.637 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464078485 339133319 /nfs/dbraw/zinc/13/33/19/339133319.db2.gz XVBGRLUIUAWPKT-RBUKOAKNSA-N 2 0 318.505 3.517 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466361842 339200798 /nfs/dbraw/zinc/20/07/98/339200798.db2.gz YUXPAIBTKRMGDW-SHARSMKWSA-N 2 0 306.416 3.677 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000468027182 339251495 /nfs/dbraw/zinc/25/14/95/339251495.db2.gz RSPDXIFIOTVNQV-QWQRMKEZSA-N 2 0 300.446 3.602 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000468034558 339251951 /nfs/dbraw/zinc/25/19/51/339251951.db2.gz XAFMEJHRCKHLJA-UMVBOHGHSA-N 2 0 306.416 3.960 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@@H](C)C1 ZINC000468801716 339271233 /nfs/dbraw/zinc/27/12/33/339271233.db2.gz BRZBZTRBRVHKLM-PKOBYXMFSA-N 2 0 300.490 3.818 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000468870198 339273091 /nfs/dbraw/zinc/27/30/91/339273091.db2.gz GXEQTVOQBBLPBJ-FGTMMUONSA-N 2 0 318.505 3.679 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)[C@H](C)C1 ZINC000468933884 339275147 /nfs/dbraw/zinc/27/51/47/339275147.db2.gz KIVVSZFDUAEHCS-APWZRJJASA-N 2 0 318.480 3.957 20 0 DHADRP COC(C)(C)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000469582448 339293644 /nfs/dbraw/zinc/29/36/44/339293644.db2.gz JBKOTFSUVBFFIB-UHFFFAOYSA-N 2 0 318.505 3.646 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC(C)(C)OC)CC1)CC(C)C ZINC000469762342 339298057 /nfs/dbraw/zinc/29/80/57/339298057.db2.gz XQSURIFYVQEIEA-UHFFFAOYSA-N 2 0 312.542 3.882 20 0 DHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@H](C)CCC1CC1 ZINC000469785161 339299720 /nfs/dbraw/zinc/29/97/20/339299720.db2.gz ADNIPJZTMVJKNT-MRXNPFEDSA-N 2 0 301.478 3.737 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469803117 339301343 /nfs/dbraw/zinc/30/13/43/339301343.db2.gz ZDXGGVWHGBSWBR-DOMZBBRYSA-N 2 0 312.860 3.687 20 0 DHADRP CCCCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000469989011 339307071 /nfs/dbraw/zinc/30/70/71/339307071.db2.gz DXJFJHMDLJYSTD-HNNXBMFYSA-N 2 0 300.446 3.817 20 0 DHADRP CCCCc1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000469989012 339307118 /nfs/dbraw/zinc/30/71/18/339307118.db2.gz DXJFJHMDLJYSTD-OAHLLOKOSA-N 2 0 300.446 3.817 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(Cl)c2)C[C@@H]1C ZINC000470201506 339314033 /nfs/dbraw/zinc/31/40/33/339314033.db2.gz HVCTVGOJCKSECY-HOCLYGCPSA-N 2 0 310.869 3.523 20 0 DHADRP CCC[NH+]1CCC(N(C)CCOc2cccc(Cl)c2)CC1 ZINC000470214837 339314505 /nfs/dbraw/zinc/31/45/05/339314505.db2.gz QZTMIEXXZHUHKL-UHFFFAOYSA-N 2 0 310.869 3.525 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](C)C1 ZINC000470254084 339315323 /nfs/dbraw/zinc/31/53/23/339315323.db2.gz IIUYJUDZGBRBOK-AJNGGQMLSA-N 2 0 306.416 3.675 20 0 DHADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC1CCOCC1 ZINC000470255551 339315334 /nfs/dbraw/zinc/31/53/34/339315334.db2.gz PJCVZKIUGXZWEB-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOc2cccc(Cl)c2)C1 ZINC000471043625 339335524 /nfs/dbraw/zinc/33/55/24/339335524.db2.gz MHCPRXJUBHQOSE-MRXNPFEDSA-N 2 0 324.896 3.773 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2cccc(Cl)c2)[C@@H](C)C1 ZINC000471228837 339340533 /nfs/dbraw/zinc/34/05/33/339340533.db2.gz XPWRMOLUVSCOHM-YJBOKZPZSA-N 2 0 324.896 3.771 20 0 DHADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472288990 339369052 /nfs/dbraw/zinc/36/90/52/339369052.db2.gz XKEFULWOQMXODD-RTBURBONSA-N 2 0 304.478 3.570 20 0 DHADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1c1ccccc1 ZINC000472587513 339374341 /nfs/dbraw/zinc/37/43/41/339374341.db2.gz YAKZLFWRMTUBOM-MISYRCLQSA-N 2 0 300.490 3.986 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474044232 339398782 /nfs/dbraw/zinc/39/87/82/339398782.db2.gz LJCSFCMBWDWUQE-AWEZNQCLSA-N 2 0 302.453 3.910 20 0 DHADRP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC000474048992 339399170 /nfs/dbraw/zinc/39/91/70/339399170.db2.gz ZBMMFZJEHALSMI-HUUCEWRRSA-N 2 0 302.453 3.912 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000474070150 339400701 /nfs/dbraw/zinc/40/07/01/339400701.db2.gz ZIGBRPCRSOAPON-GOSISDBHSA-N 2 0 316.489 3.739 20 0 DHADRP c1ccc2c(NC3CC[NH+](C4CCCCC4)CC3)cc[nH+]c2c1 ZINC000474167830 339405176 /nfs/dbraw/zinc/40/51/76/339405176.db2.gz IARWIXXQCGQORC-UHFFFAOYSA-N 2 0 309.457 3.866 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000479532545 339539696 /nfs/dbraw/zinc/53/96/96/339539696.db2.gz QBZRGRRIHNWRNG-IKGGRYGDSA-N 2 0 304.478 3.714 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000482067572 339621607 /nfs/dbraw/zinc/62/16/07/339621607.db2.gz IQMBYRLBRJKQER-WBVHZDCISA-N 2 0 304.453 3.926 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000483740351 339673530 /nfs/dbraw/zinc/67/35/30/339673530.db2.gz BIBRWWYPUDTUOC-OAHLLOKOSA-N 2 0 321.484 3.664 20 0 DHADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000488405408 339779983 /nfs/dbraw/zinc/77/99/83/339779983.db2.gz APGUFUCVSGCWGW-MRXNPFEDSA-N 2 0 304.478 3.810 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CS1 ZINC000488455290 339783482 /nfs/dbraw/zinc/78/34/82/339783482.db2.gz FAECGDQWPAWDAL-OALUTQOASA-N 2 0 318.530 3.902 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CS1 ZINC000488455292 339783514 /nfs/dbraw/zinc/78/35/14/339783514.db2.gz FAECGDQWPAWDAL-RTBURBONSA-N 2 0 318.530 3.902 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000501784892 340088640 /nfs/dbraw/zinc/08/86/40/340088640.db2.gz JWTNMZDURKVRNP-UHFFFAOYSA-N 2 0 324.896 3.773 20 0 DHADRP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CCCN1C1CCCCC1 ZINC000502326699 340099934 /nfs/dbraw/zinc/09/99/34/340099934.db2.gz OLULMAFXSUILAT-RTBURBONSA-N 2 0 320.521 3.722 20 0 DHADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000503561423 340130693 /nfs/dbraw/zinc/13/06/93/340130693.db2.gz CHFNNBBDQMNUDG-HOTGVXAUSA-N 2 0 324.896 3.627 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000504926291 340156473 /nfs/dbraw/zinc/15/64/73/340156473.db2.gz HLKJGDSPYMCRGL-CHWSQXEVSA-N 2 0 302.384 3.739 20 0 DHADRP CC(C)CCn1cccc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000506397452 340193961 /nfs/dbraw/zinc/19/39/61/340193961.db2.gz VDUVMMUVUVPRNN-UHFFFAOYSA-N 2 0 305.510 3.839 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000506869318 340203040 /nfs/dbraw/zinc/20/30/40/340203040.db2.gz YSIKBBAMDKATFL-CSKARUKUSA-N 2 0 316.489 3.762 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000506884611 340203135 /nfs/dbraw/zinc/20/31/35/340203135.db2.gz KZZBHMQBZOANFO-UHFFFAOYSA-N 2 0 323.550 3.994 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000506884311 340203274 /nfs/dbraw/zinc/20/32/74/340203274.db2.gz KJOIHHJLANVTQN-UHFFFAOYSA-N 2 0 318.358 3.618 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000507209150 340213689 /nfs/dbraw/zinc/21/36/89/340213689.db2.gz HTNFCJOQKPUEDZ-LGMDPLHJSA-N 2 0 316.489 3.510 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1F ZINC000507443703 340219842 /nfs/dbraw/zinc/21/98/42/340219842.db2.gz RSVORRSWLRADQB-CYBMUJFWSA-N 2 0 310.482 3.930 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1F ZINC000507443706 340219939 /nfs/dbraw/zinc/21/99/39/340219939.db2.gz RSVORRSWLRADQB-ZDUSSCGKSA-N 2 0 310.482 3.930 20 0 DHADRP C1=C(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000507462619 340220732 /nfs/dbraw/zinc/22/07/32/340220732.db2.gz PIPZRXQEMMBWFT-QHAWAJNXSA-N 2 0 310.485 3.987 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000507468951 340221242 /nfs/dbraw/zinc/22/12/42/340221242.db2.gz JDWWJSJVMBYEKA-CQSZACIVSA-N 2 0 308.429 3.804 20 0 DHADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCO1 ZINC000507803652 340232030 /nfs/dbraw/zinc/23/20/30/340232030.db2.gz LASZGYARDSEHOL-HSALFYBXSA-N 2 0 322.537 3.636 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000507952508 340236369 /nfs/dbraw/zinc/23/63/69/340236369.db2.gz RMLKMEBQYJGURV-HCXYKTFWSA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000402549422 340242223 /nfs/dbraw/zinc/24/22/23/340242223.db2.gz DNHBCPBIXRXGEN-BYNSBNAKSA-N 2 0 306.416 3.865 20 0 DHADRP CC(C)C1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508722166 340251444 /nfs/dbraw/zinc/25/14/44/340251444.db2.gz RGYOKKDUMSQDDQ-HKUYNNGSSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000510648042 340304889 /nfs/dbraw/zinc/30/48/89/340304889.db2.gz DIVJKGLONDHHMI-ILXRZTDVSA-N 2 0 310.432 3.748 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510736635 340308846 /nfs/dbraw/zinc/30/88/46/340308846.db2.gz RBFVJEGLIDZHPZ-HNNXBMFYSA-N 2 0 324.459 3.996 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC1CC[NH+](C)CC1 ZINC000510750722 340309606 /nfs/dbraw/zinc/30/96/06/340309606.db2.gz HCSWXGLTOSLNOI-CQSZACIVSA-N 2 0 310.432 3.607 20 0 DHADRP COCC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC000510960638 340316384 /nfs/dbraw/zinc/31/63/84/340316384.db2.gz RRYAYOROKZCMHZ-RTBURBONSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)CCn1cccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000511494258 340328486 /nfs/dbraw/zinc/32/84/86/340328486.db2.gz JZHHDTVPAFFKJS-UHFFFAOYSA-N 2 0 305.510 3.698 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000172805051 340342761 /nfs/dbraw/zinc/34/27/61/340342761.db2.gz FSGKFAJQCZWCQL-UHFFFAOYSA-N 2 0 309.523 3.704 20 0 DHADRP CN1CC[C@@H]2CC[N@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000512253803 340354130 /nfs/dbraw/zinc/35/41/30/340354130.db2.gz RUBFTDPWIDWTHM-IFMALSPDSA-N 2 0 320.480 3.845 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000512259403 340354404 /nfs/dbraw/zinc/35/44/04/340354404.db2.gz JOLVVICBMKWEJE-UHFFFAOYSA-N 2 0 318.505 3.682 20 0 DHADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C[C@@H]1OC ZINC000512318382 340356789 /nfs/dbraw/zinc/35/67/89/340356789.db2.gz OTVRSSKTEZWGOS-RWQQGDIJSA-N 2 0 322.537 3.823 20 0 DHADRP CC[NH+]1CCC(NCc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000512403926 340360726 /nfs/dbraw/zinc/36/07/26/340360726.db2.gz CYHSZAZPOITJQZ-UHFFFAOYSA-N 2 0 324.468 3.936 20 0 DHADRP c1coc(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512652787 340371196 /nfs/dbraw/zinc/37/11/96/340371196.db2.gz BMBHMCCCYAXUSI-TYPHKJRUSA-N 2 0 324.468 3.712 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000512964250 340385915 /nfs/dbraw/zinc/38/59/15/340385915.db2.gz NZMWRIGABBPWGS-HKUYNNGSSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(O)CCCCCC3)CC2)C1 ZINC000513207684 340397309 /nfs/dbraw/zinc/39/73/09/340397309.db2.gz DIOOSQYPZIONTO-PKOBYXMFSA-N 2 0 322.537 3.704 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000513760739 340423709 /nfs/dbraw/zinc/42/37/09/340423709.db2.gz KFRGPEBWGRIRMP-UHFFFAOYSA-N 2 0 312.457 3.811 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000186086216 340508015 /nfs/dbraw/zinc/50/80/15/340508015.db2.gz JMIWVBDKSHJWLY-CYBMUJFWSA-N 2 0 304.459 3.669 20 0 DHADRP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cnn1C(C)C ZINC000191145407 340550578 /nfs/dbraw/zinc/55/05/78/340550578.db2.gz YRUTYBHFAOSZIU-OAHLLOKOSA-N 2 0 314.477 3.685 20 0 DHADRP Cc1ccc([C@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCCC2)o1 ZINC000521930914 340557869 /nfs/dbraw/zinc/55/78/69/340557869.db2.gz FXGNMOHJOJYQCF-IBGZPJMESA-N 2 0 321.424 3.807 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCCO2 ZINC000126657596 340830150 /nfs/dbraw/zinc/83/01/50/340830150.db2.gz LPNAOPVJPUTOTD-LJQANCHMSA-N 2 0 316.489 3.955 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000538851001 340857881 /nfs/dbraw/zinc/85/78/81/340857881.db2.gz ONRPXLSATSNKPR-SFHVURJKSA-N 2 0 323.569 3.741 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000539071066 340870451 /nfs/dbraw/zinc/87/04/51/340870451.db2.gz MTCGPPUOFOFADK-FHWLQOOXSA-N 2 0 318.505 3.843 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000541737220 340981555 /nfs/dbraw/zinc/98/15/55/340981555.db2.gz RGYMIEGXIKMJGR-KSSFIOAISA-N 2 0 324.896 3.664 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)[C@@H](C)C1 ZINC000542474304 341008941 /nfs/dbraw/zinc/00/89/41/341008941.db2.gz BAVHYUGMLKESHF-APAFKAMOSA-N 2 0 310.526 3.538 20 0 DHADRP CC[C@@H]([NH2+]CC1(C[NH2+][C@H](CC)C(C)(C)C)COC1)C(C)(C)C ZINC000542967467 341027470 /nfs/dbraw/zinc/02/74/70/341027470.db2.gz MSCYCBWJTWOYHW-HZPDHXFCSA-N 2 0 312.542 3.832 20 0 DHADRP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCC[NH+]2CCCC2)c1 ZINC000543179167 341035418 /nfs/dbraw/zinc/03/54/18/341035418.db2.gz VOKVWZRUASWJFL-QFBILLFUSA-N 2 0 302.462 3.564 20 0 DHADRP COc1ccc(C2(C[NH2+]C3CC[NH+](C(C)C)CC3)CCC2)cc1 ZINC000543413540 341043069 /nfs/dbraw/zinc/04/30/69/341043069.db2.gz SDCWAIHJEZDHCB-UHFFFAOYSA-N 2 0 316.489 3.579 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000543446149 341045154 /nfs/dbraw/zinc/04/51/54/341045154.db2.gz CNPCMDBASPWAFJ-QUCCMNQESA-N 2 0 302.506 3.823 20 0 DHADRP C[C@H](CC1CCCCC1)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000543632224 341052285 /nfs/dbraw/zinc/05/22/85/341052285.db2.gz YBXQPINUZLDMLC-QGZVFWFLSA-N 2 0 310.526 3.636 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131210134 341065776 /nfs/dbraw/zinc/06/57/76/341065776.db2.gz NUPSUPCZHVAXMH-IAGOWNOFSA-N 2 0 318.505 3.897 20 0 DHADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000544179958 341073066 /nfs/dbraw/zinc/07/30/66/341073066.db2.gz UTUBQUGQUOIOHE-UHFFFAOYSA-N 2 0 324.553 3.664 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000546226933 341158052 /nfs/dbraw/zinc/15/80/52/341158052.db2.gz KCXQJEQZHAWRPM-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000546230024 341158352 /nfs/dbraw/zinc/15/83/52/341158352.db2.gz NHNLNEQVYYEAFK-IBGZPJMESA-N 2 0 323.569 3.693 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000134152631 341207938 /nfs/dbraw/zinc/20/79/38/341207938.db2.gz MNZVWORTWZAPAN-UHFFFAOYSA-N 2 0 314.477 3.507 20 0 DHADRP c1cnc2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000134208455 341209325 /nfs/dbraw/zinc/20/93/25/341209325.db2.gz REZXCMAWYXSCMF-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547395538 341210741 /nfs/dbraw/zinc/21/07/41/341210741.db2.gz QHEZLFRXPNLEJP-PIKOESSRSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547395535 341210744 /nfs/dbraw/zinc/21/07/44/341210744.db2.gz QHEZLFRXPNLEJP-BWPNAZKDSA-N 2 0 300.490 3.923 20 0 DHADRP Cc1ccccc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000078913007 341249331 /nfs/dbraw/zinc/24/93/31/341249331.db2.gz UPTFXZFNGCTYLX-UHFFFAOYSA-N 2 0 308.469 3.792 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000548400830 341258759 /nfs/dbraw/zinc/25/87/59/341258759.db2.gz SDCVPLSXCSHKKX-QPIRBTGLSA-N 2 0 300.490 3.844 20 0 DHADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000245540914 341300741 /nfs/dbraw/zinc/30/07/41/341300741.db2.gz NHMAGWVIZNLNQQ-TWFHAPMSSA-N 2 0 323.484 3.889 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1cccc(Cl)c1 ZINC000549840585 341304606 /nfs/dbraw/zinc/30/46/06/341304606.db2.gz KTJIDNADHIRDGY-YJBOKZPZSA-N 2 0 306.881 3.861 20 0 DHADRP C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840566 341304690 /nfs/dbraw/zinc/30/46/90/341304690.db2.gz KGZMRYWIXQTDGT-DYVFJYSZSA-N 2 0 310.844 3.958 20 0 DHADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275048 341314130 /nfs/dbraw/zinc/31/41/30/341314130.db2.gz OKTNYHNWNZSYTQ-YHYOWMERSA-N 2 0 313.272 3.637 20 0 DHADRP CSC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245771219 341314312 /nfs/dbraw/zinc/31/43/12/341314312.db2.gz XGMFESZGHSNUGF-DDBAPUKQSA-N 2 0 304.503 3.523 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000550662069 341320805 /nfs/dbraw/zinc/32/08/05/341320805.db2.gz PRZWDJIZSQDMKP-RDTXWAMCSA-N 2 0 306.881 3.593 20 0 DHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCCC23CCCC3)CCCO1 ZINC000550797151 341323254 /nfs/dbraw/zinc/32/32/54/341323254.db2.gz MYCVBRHICBQIQG-MSOLQXFVSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1N(C)C ZINC000551263510 341335976 /nfs/dbraw/zinc/33/59/76/341335976.db2.gz RVLVCPJBXNZNME-KRWDZBQOSA-N 2 0 303.494 3.669 20 0 DHADRP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000551268129 341336377 /nfs/dbraw/zinc/33/63/77/341336377.db2.gz OEGIOWVWSFNFIA-RLAPIPATSA-N 2 0 324.512 3.644 20 0 DHADRP CC1=CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000551309290 341338037 /nfs/dbraw/zinc/33/80/37/341338037.db2.gz QSHNEZGBCISBAY-SFHVURJKSA-N 2 0 314.473 3.748 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000551529139 341344040 /nfs/dbraw/zinc/34/40/40/341344040.db2.gz CBNMVLFCIAVSCV-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000551537939 341344846 /nfs/dbraw/zinc/34/48/46/341344846.db2.gz WFTWIACSZKFBLE-ATZDWAIDSA-N 2 0 304.478 3.507 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246384969 341346546 /nfs/dbraw/zinc/34/65/46/341346546.db2.gz KHTLSUQXTFEYDQ-FUHWJXTLSA-N 2 0 304.478 3.509 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246393407 341347037 /nfs/dbraw/zinc/34/70/37/341347037.db2.gz LDBSCEVAOWMTBH-JKIFEVAISA-N 2 0 324.896 3.600 20 0 DHADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246443919 341349017 /nfs/dbraw/zinc/34/90/17/341349017.db2.gz ORECOTZOJCLULL-OMZCVMJRSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246787157 341357030 /nfs/dbraw/zinc/35/70/30/341357030.db2.gz MDFYESNVJFSNIO-SIXWZSSISA-N 2 0 302.437 3.835 20 0 DHADRP c1c2ccccc2oc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246855889 341357883 /nfs/dbraw/zinc/35/78/83/341357883.db2.gz PHLCHLUFKSFVLO-LPHOPBHVSA-N 2 0 310.441 3.882 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246896146 341358319 /nfs/dbraw/zinc/35/83/19/341358319.db2.gz FBHGLGNMEZZDME-BXWFABGCSA-N 2 0 302.462 3.535 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCCCC2)[C@H](C)C1 ZINC000247302049 341363239 /nfs/dbraw/zinc/36/32/39/341363239.db2.gz IMFTWOHPGSRVNI-LMMKCTJWSA-N 2 0 310.526 3.682 20 0 DHADRP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000552040473 341364124 /nfs/dbraw/zinc/36/41/24/341364124.db2.gz PAGDKMBYFYJBFH-ZCNNSNEGSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000552046616 341364684 /nfs/dbraw/zinc/36/46/84/341364684.db2.gz MOCKPKQPKKBLRJ-AABGKKOBSA-N 2 0 300.490 3.575 20 0 DHADRP CC(C)COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247948642 341371389 /nfs/dbraw/zinc/37/13/89/341371389.db2.gz DUJJDLHCHOLDEK-SQGPQFPESA-N 2 0 318.505 3.582 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@H]2CCC[C@H]21 ZINC000552275035 341383226 /nfs/dbraw/zinc/38/32/26/341383226.db2.gz IXKSXGSXZBGSEH-FHLIZLRMSA-N 2 0 318.892 3.834 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248935438 341390252 /nfs/dbraw/zinc/39/02/52/341390252.db2.gz NDOYJUFBSRXWCM-HOTGVXAUSA-N 2 0 312.379 3.730 20 0 DHADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000249157956 341394768 /nfs/dbraw/zinc/39/47/68/341394768.db2.gz ZERVPNFFEWTPKZ-ROUUACIJSA-N 2 0 302.462 3.500 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000249376602 341396729 /nfs/dbraw/zinc/39/67/29/341396729.db2.gz KWIRTMCTVYZWOB-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000249385227 341397033 /nfs/dbraw/zinc/39/70/33/341397033.db2.gz ZEUVYHUCROTTOA-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000091333023 341424912 /nfs/dbraw/zinc/42/49/12/341424912.db2.gz KMZIJUCZMUGUIX-FQEVSTJZSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000564649652 341506014 /nfs/dbraw/zinc/50/60/14/341506014.db2.gz IZHZWJXNDGNAKU-JKIFEVAISA-N 2 0 300.450 3.524 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000566555742 341561698 /nfs/dbraw/zinc/56/16/98/341561698.db2.gz VCFPZPMHBTYQPX-HNNXBMFYSA-N 2 0 316.367 3.550 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000272534458 341628884 /nfs/dbraw/zinc/62/88/84/341628884.db2.gz JPGFMWSLMQXGOI-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568733452 341679896 /nfs/dbraw/zinc/67/98/96/341679896.db2.gz QAKJJJFOHAUXPV-JGWYNZBZSA-N 2 0 304.453 3.830 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000294247235 341710991 /nfs/dbraw/zinc/71/09/91/341710991.db2.gz PSCQCWHIYLQHSM-ZDUSSCGKSA-N 2 0 317.383 3.679 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CCC(C(F)(F)F)CC1 ZINC000577221535 341898344 /nfs/dbraw/zinc/89/83/44/341898344.db2.gz UCRPHLSCZYWDKZ-UWTIGNOOSA-N 2 0 314.395 3.992 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000577566994 341918229 /nfs/dbraw/zinc/91/82/29/341918229.db2.gz KYVXAJWIIMHMBF-UHFFFAOYSA-N 2 0 320.839 3.873 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000337282260 519771190 /nfs/dbraw/zinc/77/11/90/519771190.db2.gz IFSRYLUDAVJWLP-GOSISDBHSA-N 2 0 318.505 3.822 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337325034 519847423 /nfs/dbraw/zinc/84/74/23/519847423.db2.gz BQSWSNCSABXPCD-APWZRJJASA-N 2 0 301.478 3.572 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000157893362 519978573 /nfs/dbraw/zinc/97/85/73/519978573.db2.gz OQWBLGIHTHYQFU-SJORKVTESA-N 2 0 306.498 3.769 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268759004 520630373 /nfs/dbraw/zinc/63/03/73/520630373.db2.gz ZMFPUXNMOHBAKN-CVEARBPZSA-N 2 0 304.478 3.878 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000368452035 520636323 /nfs/dbraw/zinc/63/63/23/520636323.db2.gz ZEWYAWKYSXMMLR-OKZBNKHCSA-N 2 0 320.525 3.546 20 0 DHADRP CC1(c2ccc(F)cc2)CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000364847106 520782571 /nfs/dbraw/zinc/78/25/71/520782571.db2.gz IWSOUDIWSGANEP-UHFFFAOYSA-N 2 0 316.464 3.710 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337340752 521008713 /nfs/dbraw/zinc/00/87/13/521008713.db2.gz PRUSWGSSVHNDOC-UYAOXDASSA-N 2 0 315.505 3.819 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccn3C)cc2)CC1 ZINC000161576799 521025947 /nfs/dbraw/zinc/02/59/47/521025947.db2.gz PSFATKFIDFGNLG-UHFFFAOYSA-N 2 0 311.473 3.547 20 0 DHADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000154535323 521074219 /nfs/dbraw/zinc/07/42/19/521074219.db2.gz GIPYNSLRNPACGI-MAUKXSAKSA-N 2 0 317.477 3.517 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000365051601 521644758 /nfs/dbraw/zinc/64/47/58/521644758.db2.gz GAZZORHKXKSXIX-OYGLOCFBSA-N 2 0 322.537 3.824 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365051599 521644807 /nfs/dbraw/zinc/64/48/07/521644807.db2.gz GAZZORHKXKSXIX-KTLDDFEXSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@H](CSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180171503 522284342 /nfs/dbraw/zinc/28/43/42/522284342.db2.gz DYHWKHMAHHIFPK-MVCQKVDPSA-N 2 0 318.530 3.913 20 0 DHADRP C[N@H+](CCC[NH2+]C1CCC2(CCCO2)CC1)C1CCCCC1 ZINC000364798922 522768449 /nfs/dbraw/zinc/76/84/49/522768449.db2.gz MDNPVTLTYKHOIZ-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000159189700 523299868 /nfs/dbraw/zinc/29/98/68/523299868.db2.gz MQFCWIYYOQIUIW-FQEVSTJZSA-N 2 0 316.489 3.545 20 0 DHADRP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000162526138 524026778 /nfs/dbraw/zinc/02/67/78/524026778.db2.gz MPMNNTAQZGEFTI-OAHLLOKOSA-N 2 0 316.445 3.633 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[NH+]1CCCCC1 ZINC000337270813 524195686 /nfs/dbraw/zinc/19/56/86/524195686.db2.gz ZZAYZURQXVBZRN-QWFCFKBJSA-N 2 0 315.505 3.962 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000180889846 525265766 /nfs/dbraw/zinc/26/57/66/525265766.db2.gz ZHABOTQVXYQQDY-IMFGXOCKSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCOC1 ZINC000156184472 525441102 /nfs/dbraw/zinc/44/11/02/525441102.db2.gz OKWQAZOCJZSKEA-ABSDTBQOSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000124300339 525456471 /nfs/dbraw/zinc/45/64/71/525456471.db2.gz FVYJCYADUPFREO-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1F ZINC000162528204 525460032 /nfs/dbraw/zinc/46/00/32/525460032.db2.gz IURDZHYWBOUMMM-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP CSC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180146776 525632108 /nfs/dbraw/zinc/63/21/08/525632108.db2.gz XGMFESZGHSNUGF-CCNLRDMRSA-N 2 0 304.503 3.523 20 0 DHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435660 526068622 /nfs/dbraw/zinc/06/86/22/526068622.db2.gz AZRPDOSZBMAWKP-QWHCGFSZSA-N 2 0 300.368 3.698 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCCO2 ZINC000364855081 526192454 /nfs/dbraw/zinc/19/24/54/526192454.db2.gz VSEBJJUJIPTPPG-IBGZPJMESA-N 2 0 314.473 3.673 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCC12CCC2 ZINC000337504825 526433838 /nfs/dbraw/zinc/43/38/38/526433838.db2.gz DWWKKEILCCZGKE-IBGZPJMESA-N 2 0 314.473 3.584 20 0 DHADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157463353 526542893 /nfs/dbraw/zinc/54/28/93/526542893.db2.gz UOCOQXMAEYNBKF-LJQANCHMSA-N 2 0 309.457 3.685 20 0 DHADRP c1coc(-c2ncc(C[NH2+]CCCCC[NH+]3CCCC3)s2)c1 ZINC000339500344 526561825 /nfs/dbraw/zinc/56/18/25/526561825.db2.gz ZWGUQYMXSCOLNX-UHFFFAOYSA-N 2 0 319.474 3.759 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000119957888 535521746 /nfs/dbraw/zinc/52/17/46/535521746.db2.gz CUTBYXBJHYQNGX-HZPDHXFCSA-N 2 0 316.493 3.734 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340469422 535611929 /nfs/dbraw/zinc/61/19/29/535611929.db2.gz JKHTTZFJNIHKGO-LPHOPBHVSA-N 2 0 304.478 3.576 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000286292711 535894702 /nfs/dbraw/zinc/89/47/02/535894702.db2.gz WHBSOKYWJWPDRB-XLIONFOSSA-N 2 0 316.489 3.537 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc3occc3c2)ccc1F ZINC000286568986 535991402 /nfs/dbraw/zinc/99/14/02/535991402.db2.gz PMSYTNOKFYFMOB-UHFFFAOYSA-N 2 0 312.388 3.923 20 0 DHADRP Cc1cc(C)cc(OC[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168290200 1032061689 /nfs/dbraw/zinc/06/16/89/1032061689.db2.gz CZHXIVICLSGIJG-WWDZGPRUSA-N 2 0 304.478 3.533 20 0 DHADRP CCCOC1CCC([NH2+][C@H]2CC[C@H]([NH+](CC)CC)CC2)CC1 ZINC001173095217 1033525701 /nfs/dbraw/zinc/52/57/01/1033525701.db2.gz ASKOZUQSPUGWGA-BIZGZAPZSA-N 2 0 310.526 3.967 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000537525672 1032069422 /nfs/dbraw/zinc/06/94/22/1032069422.db2.gz WIVQZDHDOPVLCF-ZFWWWQNUSA-N 2 0 314.477 3.623 20 0 DHADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)s1 ZINC001167964044 1013197134 /nfs/dbraw/zinc/19/71/34/1013197134.db2.gz LUTLLEFCEMYIAA-ALOPSCKCSA-N 2 0 304.503 3.594 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037649118 1013207508 /nfs/dbraw/zinc/20/75/08/1013207508.db2.gz PLEPICBSSOILGR-OLZOCXBDSA-N 2 0 323.278 3.584 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000323003511 1013262101 /nfs/dbraw/zinc/26/21/01/1013262101.db2.gz LNWHQSAETMDOBT-UHFFFAOYSA-N 2 0 316.420 3.663 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC000093638905 1013319378 /nfs/dbraw/zinc/31/93/78/1013319378.db2.gz UGYAJYXRHHGMNL-RHSMWYFYSA-N 2 0 316.445 3.604 20 0 DHADRP CCC[NH+]1CCC(N(C)Cc2ccccc2OC(C)C)CC1 ZINC000109787842 1013330944 /nfs/dbraw/zinc/33/09/44/1013330944.db2.gz CNUXHKJPTMXNEG-UHFFFAOYSA-N 2 0 304.478 3.780 20 0 DHADRP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000519478650 1013328790 /nfs/dbraw/zinc/32/87/90/1013328790.db2.gz PYTMHCWBPPSVRY-QGZVFWFLSA-N 2 0 304.453 3.552 20 0 DHADRP c1cc(CN2CCOCC2)ccc1C[NH2+]CCC1CCCCC1 ZINC000107801248 1013331653 /nfs/dbraw/zinc/33/16/53/1013331653.db2.gz ICYSMHRQRQJFSR-UHFFFAOYSA-N 2 0 316.489 3.579 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C1CC[NH+](C)CC1 ZINC000315364918 1013411133 /nfs/dbraw/zinc/41/11/33/1013411133.db2.gz CCHOIHYEAQEWBT-OLZOCXBDSA-N 2 0 312.404 3.669 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000121024915 1013429720 /nfs/dbraw/zinc/42/97/20/1013429720.db2.gz NXYGOMRPMCVIDP-HNNXBMFYSA-N 2 0 312.457 3.668 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000608061494 1013479262 /nfs/dbraw/zinc/47/92/62/1013479262.db2.gz WEEBHWAIUKRIOR-QFBILLFUSA-N 2 0 324.468 3.935 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000121304507 1013523881 /nfs/dbraw/zinc/52/38/81/1013523881.db2.gz LOMAWJGRIFFCMQ-JKSUJKDBSA-N 2 0 304.478 3.855 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC000839183513 1013621621 /nfs/dbraw/zinc/62/16/21/1013621621.db2.gz XNKJVVGQNMVQRE-AWEZNQCLSA-N 2 0 314.445 3.823 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000608092654 1013632129 /nfs/dbraw/zinc/63/21/29/1013632129.db2.gz BMSCCGWOUFYCSE-SFHVURJKSA-N 2 0 317.436 3.946 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000655704138 1013650814 /nfs/dbraw/zinc/65/08/14/1013650814.db2.gz QNBHFTFCNWZURZ-HOCLYGCPSA-N 2 0 324.559 3.834 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CS1 ZINC000655703613 1013654626 /nfs/dbraw/zinc/65/46/26/1013654626.db2.gz IZTWSENLWREUFC-OWCLPIDISA-N 2 0 324.559 3.834 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CS1 ZINC000655722156 1013664293 /nfs/dbraw/zinc/66/42/93/1013664293.db2.gz YHXQPCVZJAVJDS-RWQQGDIJSA-N 2 0 318.530 3.913 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)C[NH+]1CCCC1 ZINC000068692009 1013692284 /nfs/dbraw/zinc/69/22/84/1013692284.db2.gz LEMLEQSMYOUQCE-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805295 1013722965 /nfs/dbraw/zinc/72/29/65/1013722965.db2.gz LLWBFKHCOXAHGA-JTDSTZFVSA-N 2 0 316.489 3.954 20 0 DHADRP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1F ZINC000655806265 1013728062 /nfs/dbraw/zinc/72/80/62/1013728062.db2.gz TVVQLXGFNIBMBT-LJQANCHMSA-N 2 0 324.403 3.956 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805616 1013728505 /nfs/dbraw/zinc/72/85/05/1013728505.db2.gz JLBJRCWDCIBHTK-NFAWXSAZSA-N 2 0 310.869 3.730 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000280798665 1013724435 /nfs/dbraw/zinc/72/44/35/1013724435.db2.gz IGLVXHLRDLDEEK-QFBILLFUSA-N 2 0 301.478 3.633 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000655804857 1013724875 /nfs/dbraw/zinc/72/48/75/1013724875.db2.gz DMANBZKZSLYXJT-PJUUTQQGSA-N 2 0 316.489 3.651 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000655803803 1013726322 /nfs/dbraw/zinc/72/63/22/1013726322.db2.gz YQVPSFHQQZMPIJ-IPELMVKDSA-N 2 0 301.478 3.633 20 0 DHADRP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655803197 1013726520 /nfs/dbraw/zinc/72/65/20/1013726520.db2.gz NANWDLRLYDXSBK-WDYCEAGBSA-N 2 0 304.478 3.712 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC000655806050 1013727823 /nfs/dbraw/zinc/72/78/23/1013727823.db2.gz YCVDMVAINSEXDK-KDDVVGDTSA-N 2 0 300.490 3.817 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)ccc2c1 ZINC000655806987 1013729698 /nfs/dbraw/zinc/72/96/98/1013729698.db2.gz FYYQFZNAHPCQOY-CLCXKQKWSA-N 2 0 312.457 3.839 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000655827662 1013747196 /nfs/dbraw/zinc/74/71/96/1013747196.db2.gz WYQBYDORBXARAL-AKAXFMLLSA-N 2 0 318.461 3.984 20 0 DHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000579952466 1013751842 /nfs/dbraw/zinc/75/18/42/1013751842.db2.gz BYCWYQBGJXROSL-HIFRSBDPSA-N 2 0 314.395 3.697 20 0 DHADRP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000315601660 1013761667 /nfs/dbraw/zinc/76/16/67/1013761667.db2.gz UBMQGCNSSJHZIK-CVEARBPZSA-N 2 0 304.478 3.855 20 0 DHADRP c1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167995663 1013789518 /nfs/dbraw/zinc/78/95/18/1013789518.db2.gz NITYDXLASHRJEI-NHJHPMQKSA-N 2 0 311.473 3.624 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)cc1 ZINC000340459716 1013818634 /nfs/dbraw/zinc/81/86/34/1013818634.db2.gz CMBHZMITHCIMSS-LPHOPBHVSA-N 2 0 304.478 3.576 20 0 DHADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000579985510 1013843588 /nfs/dbraw/zinc/84/35/88/1013843588.db2.gz ARSRZIUZKWERMN-QGZVFWFLSA-N 2 0 304.478 3.920 20 0 DHADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169537 1013883221 /nfs/dbraw/zinc/88/32/21/1013883221.db2.gz HHLOFNLEMGWKEI-CHWSQXEVSA-N 2 0 311.267 3.571 20 0 DHADRP C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169472 1013883356 /nfs/dbraw/zinc/88/33/56/1013883356.db2.gz YTJFZQUQWXIAOQ-QWHCGFSZSA-N 2 0 311.267 3.571 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000340524486 1013917330 /nfs/dbraw/zinc/91/73/30/1013917330.db2.gz IGAAYGOQNNPGPL-OXJNMPFZSA-N 2 0 316.489 3.727 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000340539858 1013950319 /nfs/dbraw/zinc/95/03/19/1013950319.db2.gz CKHKQSJDDNXZDR-ACBHZAAOSA-N 2 0 318.530 3.915 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683773466 1013982849 /nfs/dbraw/zinc/98/28/49/1013982849.db2.gz ANOKCHPRCSFALT-SFHVURJKSA-N 2 0 311.473 3.692 20 0 DHADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000398052646 1014142473 /nfs/dbraw/zinc/14/24/73/1014142473.db2.gz YKGLHCLOBZTNGS-HTAPYJJXSA-N 2 0 320.480 3.654 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423095558 1027413228 /nfs/dbraw/zinc/41/32/28/1027413228.db2.gz FKPZFLMZYXTXOC-UKJIMTQDSA-N 2 0 301.261 3.955 20 0 DHADRP C[C@@H]1CCC(C)(C)[NH+]1CC1(C[N@@H+]2[C@H](C)CCC2(C)C)COC1 ZINC000650287728 1014176872 /nfs/dbraw/zinc/17/68/72/1014176872.db2.gz YVSHADDURBJAKV-HZPDHXFCSA-N 2 0 308.510 3.529 20 0 DHADRP COCCC1(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCCCC1 ZINC000189349447 1014179184 /nfs/dbraw/zinc/17/91/84/1014179184.db2.gz LRXMYSDWYDAKNC-LJQANCHMSA-N 2 0 324.553 3.931 20 0 DHADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000639378179 1014201644 /nfs/dbraw/zinc/20/16/44/1014201644.db2.gz DUXOHALKCNWAFN-MRXNPFEDSA-N 2 0 304.478 3.605 20 0 DHADRP CC[N@H+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003533 1014347524 /nfs/dbraw/zinc/34/75/24/1014347524.db2.gz OSXSTPSPAJBBTP-SJPCQFCGSA-N 2 0 304.503 3.975 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007946 1014441922 /nfs/dbraw/zinc/44/19/22/1014441922.db2.gz VQSBQCYKHNPDLY-RMFSNUHRSA-N 2 0 323.484 3.655 20 0 DHADRP C[C@H](C1CC(F)(F)C1)N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112768 1014444731 /nfs/dbraw/zinc/44/47/31/1014444731.db2.gz DULZDQQPSCIQOO-BPLDGKMQSA-N 2 0 309.404 3.592 20 0 DHADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000427690481 1014516811 /nfs/dbraw/zinc/51/68/11/1014516811.db2.gz OMDLCMKSUOLSHX-WOJBJXKFSA-N 2 0 302.506 3.964 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000427852033 1014537638 /nfs/dbraw/zinc/53/76/38/1014537638.db2.gz SSBRFKXVFKNJSZ-LPHOPBHVSA-N 2 0 306.469 3.858 20 0 DHADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000665249525 1014556146 /nfs/dbraw/zinc/55/61/46/1014556146.db2.gz RXQMVMWOZVLWSI-STQMWFEESA-N 2 0 303.475 3.649 20 0 DHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CC3CCC3)C2)cc1 ZINC000656410584 1014581388 /nfs/dbraw/zinc/58/13/88/1014581388.db2.gz XFLNZHOXIKWILI-TUFLPTIASA-N 2 0 310.485 3.629 20 0 DHADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261728291 1014588793 /nfs/dbraw/zinc/58/87/93/1014588793.db2.gz MPWCZCBHLMUFBY-HRCADAONSA-N 2 0 324.415 3.688 20 0 DHADRP C[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000665272908 1014629514 /nfs/dbraw/zinc/62/95/14/1014629514.db2.gz NHGSZIXITKVBRP-GXSJLCMTSA-N 2 0 320.321 3.770 20 0 DHADRP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC000261733501 1014643856 /nfs/dbraw/zinc/64/38/56/1014643856.db2.gz MYNLMINFXQGHHJ-SJPCQFCGSA-N 2 0 310.441 3.563 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)NCC12CC(C1)C[NH2+]2 ZINC000665277708 1014655271 /nfs/dbraw/zinc/65/52/71/1014655271.db2.gz JMSHIARUPJKNRD-CXOJTPOUSA-N 2 0 310.894 3.552 20 0 DHADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000665282175 1014672739 /nfs/dbraw/zinc/67/27/39/1014672739.db2.gz SGZFXKXKNMHKOV-QGZVFWFLSA-N 2 0 311.558 3.629 20 0 DHADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442650199 1014711012 /nfs/dbraw/zinc/71/10/12/1014711012.db2.gz ORZVCPLBGDWCOH-GOEBONIOSA-N 2 0 314.395 3.883 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000581349236 1014728632 /nfs/dbraw/zinc/72/86/32/1014728632.db2.gz NXQMVDHEXCTSNZ-GOSISDBHSA-N 2 0 316.489 3.784 20 0 DHADRP CCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000656497295 1014734384 /nfs/dbraw/zinc/73/43/84/1014734384.db2.gz AEYOJUGDTYXXHT-IBGZPJMESA-N 2 0 310.445 3.576 20 0 DHADRP C[NH2+]C[C@H](C)N[C@H](Cc1ccccc1Cl)c1cccs1 ZINC000665298175 1014749768 /nfs/dbraw/zinc/74/97/68/1014749768.db2.gz TUJRVEOPXBHREY-SWLSCSKDSA-N 2 0 308.878 3.883 20 0 DHADRP FC(F)C1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000442863231 1014751729 /nfs/dbraw/zinc/75/17/29/1014751729.db2.gz QQXHQJVTSSMSHI-AOCRQIFASA-N 2 0 322.443 3.922 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cncc(C)c2)CC1)CC(C)C ZINC000442898572 1014767737 /nfs/dbraw/zinc/76/77/37/1014767737.db2.gz JEWFVJMQKIOBLF-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442899213 1014767773 /nfs/dbraw/zinc/76/77/73/1014767773.db2.gz JNWXPWHGGGOYJB-KRWDZBQOSA-N 2 0 324.468 3.923 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000442989689 1014788400 /nfs/dbraw/zinc/78/84/00/1014788400.db2.gz ITOZYPQFYPTCLN-JKSUJKDBSA-N 2 0 314.395 3.976 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000443061424 1014794850 /nfs/dbraw/zinc/79/48/50/1014794850.db2.gz RTQMXRKUBRJNSG-QGZVFWFLSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)C[NH+]1CCCC1 ZINC000521826559 1014802149 /nfs/dbraw/zinc/80/21/49/1014802149.db2.gz ITKKJSRDTCQWTP-KRWDZBQOSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@H]1CC([NH2+]C[C@H]2C[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015099 1014813632 /nfs/dbraw/zinc/81/36/32/1014813632.db2.gz ORRMIGNCDSNPLB-LAQRGFTBSA-N 2 0 304.453 3.766 20 0 DHADRP CCCOCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015185 1014838034 /nfs/dbraw/zinc/83/80/34/1014838034.db2.gz PJRXFMMWNLOKAF-OPVJXMOQSA-N 2 0 318.505 3.834 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC000443614502 1015032366 /nfs/dbraw/zinc/03/23/66/1015032366.db2.gz KYIHPRWCWMPSDO-FSPWUOQZSA-N 2 0 304.865 3.743 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000045598249 1032109363 /nfs/dbraw/zinc/10/93/63/1032109363.db2.gz HLSJTXZIZAEESC-UHFFFAOYSA-N 2 0 306.450 3.986 20 0 DHADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000443653018 1015073708 /nfs/dbraw/zinc/07/37/08/1015073708.db2.gz HBEULDRYUYXZQR-ONCXSQPRSA-N 2 0 302.506 3.928 20 0 DHADRP Cc1[nH+]ccc(N2CCC(Nc3ccccn3)CC2)c1Cl ZINC000895355333 1015088709 /nfs/dbraw/zinc/08/87/09/1015088709.db2.gz XUAGKHBTCJAEGM-UHFFFAOYSA-N 2 0 302.809 3.519 20 0 DHADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785966 1015163593 /nfs/dbraw/zinc/16/35/93/1015163593.db2.gz OMDBHRJNORSYQA-INIZCTEOSA-N 2 0 321.534 3.553 20 0 DHADRP CC(C)[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000474263856 1015227427 /nfs/dbraw/zinc/22/74/27/1015227427.db2.gz FGRCSUMAGIPMFY-AZUAARDMSA-N 2 0 300.490 3.844 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)CO1 ZINC000647173807 1015237262 /nfs/dbraw/zinc/23/72/62/1015237262.db2.gz AHADKWOCAQRTOX-QFBILLFUSA-N 2 0 316.489 3.718 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc2cccnc2o1 ZINC000895683242 1015260822 /nfs/dbraw/zinc/26/08/22/1015260822.db2.gz KBCJRCBEPUPUDH-UHFFFAOYSA-N 2 0 301.434 3.526 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3ccnc3C1)CCC2 ZINC000581726481 1015277099 /nfs/dbraw/zinc/27/70/99/1015277099.db2.gz OUTMAQKUDPVNGT-WMLDXEAASA-N 2 0 313.470 3.587 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000895763815 1015293732 /nfs/dbraw/zinc/29/37/32/1015293732.db2.gz CPMNJONVKIKSEY-UHFFFAOYSA-N 2 0 320.525 3.681 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926175087 1015325913 /nfs/dbraw/zinc/32/59/13/1015325913.db2.gz NULRKGWATBKCHD-QFBILLFUSA-N 2 0 304.478 3.748 20 0 DHADRP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723694067 1015376802 /nfs/dbraw/zinc/37/68/02/1015376802.db2.gz CMRVQTHBNYYUTC-DOMZBBRYSA-N 2 0 311.267 3.571 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000341484968 1015419689 /nfs/dbraw/zinc/41/96/89/1015419689.db2.gz VNTACTUVYDSJGA-MRXNPFEDSA-N 2 0 320.440 3.859 20 0 DHADRP C[NH+](C)Cc1cc(NCc2cccc3nccn32)ccc1Cl ZINC000341512666 1015429740 /nfs/dbraw/zinc/42/97/40/1015429740.db2.gz PHXXZIPPQGEJOC-UHFFFAOYSA-N 2 0 314.820 3.661 20 0 DHADRP CC[NH+](CC)[C@H](CNc1cc(C)nc(C2CC2)n1)c1ccccc1 ZINC000341511515 1015429973 /nfs/dbraw/zinc/42/99/73/1015429973.db2.gz RFSZXTXQYWNAIE-GOSISDBHSA-N 2 0 324.472 4.157 20 0 DHADRP Clc1cccc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000157102049 1015466166 /nfs/dbraw/zinc/46/61/66/1015466166.db2.gz MYXROMPBRVBZNX-UHFFFAOYSA-N 2 0 306.881 3.879 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000341614146 1015594883 /nfs/dbraw/zinc/59/48/83/1015594883.db2.gz AXDRCYYSCLFMNC-WBVHZDCISA-N 2 0 320.477 3.619 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000562956202 1015666238 /nfs/dbraw/zinc/66/62/38/1015666238.db2.gz MPBYSQKPAWBLBR-OAQYLSRUSA-N 2 0 324.468 3.568 20 0 DHADRP CC[NH+]1CCC([NH2+]CCc2nc(C3CCCCC3)cs2)CC1 ZINC000341688723 1015673354 /nfs/dbraw/zinc/67/33/54/1015673354.db2.gz JVGYCSRVLMMCOH-UHFFFAOYSA-N 2 0 321.534 3.807 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000262331245 1015768466 /nfs/dbraw/zinc/76/84/66/1015768466.db2.gz SLUFFYKVIMAXCG-CEXWTWQISA-N 2 0 300.490 3.865 20 0 DHADRP CSc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000535813249 1015834183 /nfs/dbraw/zinc/83/41/83/1015834183.db2.gz WWZPKRLBQWBGCJ-UHFFFAOYSA-N 2 0 306.519 3.961 20 0 DHADRP C[NH+](C)C1CCC(n2cc(C(C)(C)C[NH3+])c3ccccc32)CC1 ZINC001168305187 1032142949 /nfs/dbraw/zinc/14/29/49/1032142949.db2.gz LLKBHRFBLLQSGM-UHFFFAOYSA-N 2 0 313.489 3.923 20 0 DHADRP C[N@H+](C1CCOCC1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001207261061 1016282716 /nfs/dbraw/zinc/28/27/16/1016282716.db2.gz KHPKXHRXEIOMLQ-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]C3CCN(c4ccccn4)CC3)cc21 ZINC000657311033 1016283761 /nfs/dbraw/zinc/28/37/61/1016283761.db2.gz WBKFNZVKQDZDPI-UHFFFAOYSA-N 2 0 320.440 3.630 20 0 DHADRP c1c2ccncc2sc1C[NH2+]CCCCNc1ccccn1 ZINC000657345492 1016389978 /nfs/dbraw/zinc/38/99/78/1016389978.db2.gz RBPSIPFOPYKJKW-UHFFFAOYSA-N 2 0 312.442 3.673 20 0 DHADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](CC)CC2)c(C)c1 ZINC000657346527 1016392407 /nfs/dbraw/zinc/39/24/07/1016392407.db2.gz FKVPDRKIUCGTHX-UHFFFAOYSA-N 2 0 304.478 3.605 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000346500560 1016423103 /nfs/dbraw/zinc/42/31/03/1016423103.db2.gz ZPXPMKVIVJMFFB-HLIPFELVSA-N 2 0 316.489 3.576 20 0 DHADRP CCC[N@H+](CCC[NH+]1CCCCC1)[C@H]1C[C@H](OCC)C1(C)C ZINC001307481742 1016427821 /nfs/dbraw/zinc/42/78/21/1016427821.db2.gz JAQUFLFGZAPTJB-ROUUACIJSA-N 2 0 310.526 3.778 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC[C@H]2CCCO2)CC1)CC(C)C ZINC000346543435 1016446460 /nfs/dbraw/zinc/44/64/60/1016446460.db2.gz FNMQIOBTQPSGBL-LJQANCHMSA-N 2 0 310.526 3.636 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCCCOc2ccccc2)CC1 ZINC000277500072 1016448188 /nfs/dbraw/zinc/44/81/88/1016448188.db2.gz NWGBTSYIQTUNGG-GOSISDBHSA-N 2 0 304.478 3.652 20 0 DHADRP Cc1cnccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000582162205 1016459232 /nfs/dbraw/zinc/45/92/32/1016459232.db2.gz VONZVEUJMLUESB-SFHVURJKSA-N 2 0 315.505 3.867 20 0 DHADRP c1cn(Cc2cccc(CNc3cc[nH+]c4ccccc34)c2)cn1 ZINC000346595025 1016460620 /nfs/dbraw/zinc/46/06/20/1016460620.db2.gz QZUWKAGSWPVYHM-UHFFFAOYSA-N 2 0 314.392 3.514 20 0 DHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000346657927 1016499012 /nfs/dbraw/zinc/49/90/12/1016499012.db2.gz HIGKPCHSCVUJOJ-INIZCTEOSA-N 2 0 320.868 3.535 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC(C[NH3+])CC1 ZINC000346687975 1016506015 /nfs/dbraw/zinc/50/60/15/1016506015.db2.gz NFWHWVKKOJDMDO-UHFFFAOYSA-N 2 0 312.457 3.798 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cc(F)cc(F)c3)c2)CC1 ZINC000629693155 1016535843 /nfs/dbraw/zinc/53/58/43/1016535843.db2.gz BETAPAXLEKXPRS-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP CCOc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000657386888 1016564232 /nfs/dbraw/zinc/56/42/32/1016564232.db2.gz MTAKBUYSTXUGFM-UHFFFAOYSA-N 2 0 316.489 3.890 20 0 DHADRP c1c2ccncc2sc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000657386451 1016563552 /nfs/dbraw/zinc/56/35/52/1016563552.db2.gz GMAARCULIPTGLX-UHFFFAOYSA-N 2 0 315.486 3.793 20 0 DHADRP C[NH+](C)CCCNCc1ccc(Oc2cccc(F)c2)cc1 ZINC000443982616 1016567632 /nfs/dbraw/zinc/56/76/32/1016567632.db2.gz GSSXHZGZNDRLET-UHFFFAOYSA-N 2 0 302.393 3.659 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000281582356 1016605937 /nfs/dbraw/zinc/60/59/37/1016605937.db2.gz LEZDZEOUZNXARX-ZWKOTPCHSA-N 2 0 315.505 3.738 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000671294816 1016865738 /nfs/dbraw/zinc/86/57/38/1016865738.db2.gz LHYASHJUUGTSIH-OXQOHEQNSA-N 2 0 300.490 3.638 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000671295586 1016869465 /nfs/dbraw/zinc/86/94/65/1016869465.db2.gz DWLFSEBMYRLDIH-XAMWDVODSA-N 2 0 316.489 3.509 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2)C[C@@H](C)O1 ZINC000342629115 1016882959 /nfs/dbraw/zinc/88/29/59/1016882959.db2.gz SCUIDTKUDXSZIQ-GPMSIDNRSA-N 2 0 316.489 3.574 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CCC2 ZINC000657456987 1016900546 /nfs/dbraw/zinc/90/05/46/1016900546.db2.gz NRIOXUSOCAGHMT-LJQANCHMSA-N 2 0 322.387 3.574 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000379968389 1016978747 /nfs/dbraw/zinc/97/87/47/1016978747.db2.gz MJKCDGPVVWIXEC-WOJBJXKFSA-N 2 0 324.468 3.668 20 0 DHADRP Cc1c2cc(F)ccc2oc1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376760 1017000240 /nfs/dbraw/zinc/00/02/40/1017000240.db2.gz BAMLRKLYWPXAJZ-CQSZACIVSA-N 2 0 304.409 3.843 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)c2ccccc21 ZINC000152798484 1017013555 /nfs/dbraw/zinc/01/35/55/1017013555.db2.gz ANIQDUWIMPLKRJ-KXBFYZLASA-N 2 0 309.457 3.990 20 0 DHADRP CCc1cccc2cc(C[NH2+]C3CCC([NH+](C)C)CC3)oc21 ZINC000657493759 1017031805 /nfs/dbraw/zinc/03/18/05/1017031805.db2.gz JCQRREIUNDPOGK-UHFFFAOYSA-N 2 0 300.446 3.958 20 0 DHADRP CC(C)[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000475191475 1017050350 /nfs/dbraw/zinc/05/03/50/1017050350.db2.gz JQXLQXWFWYBRTH-ICSRJNTNSA-N 2 0 318.505 3.517 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440719 1017050846 /nfs/dbraw/zinc/05/08/46/1017050846.db2.gz HRMJJCKPXKVKBU-IAGOWNOFSA-N 2 0 304.478 3.615 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623481299 1017064756 /nfs/dbraw/zinc/06/47/56/1017064756.db2.gz ZEMPLEVGCQQAQO-QGZVFWFLSA-N 2 0 304.453 3.611 20 0 DHADRP CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000361972744 1032178748 /nfs/dbraw/zinc/17/87/48/1032178748.db2.gz TZZWGKZZVLBWOF-LNLFQRSKSA-N 2 0 304.478 3.999 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)C1CC[NH2+]CC1 ZINC001246692379 1032201352 /nfs/dbraw/zinc/20/13/52/1032201352.db2.gz FYTRLZKJZREXIM-NSHDSACASA-N 2 0 301.261 3.608 20 0 DHADRP Cc1cnccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000294948772 1032221884 /nfs/dbraw/zinc/22/18/84/1032221884.db2.gz VNEWIZJPDYWJMG-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001168316431 1032226261 /nfs/dbraw/zinc/22/62/61/1032226261.db2.gz YPYCRLDEPQQMNM-UHFFFAOYSA-N 2 0 323.278 3.638 20 0 DHADRP COc1ccc(Cl)c2c1C[C@H]([NH2+]CCCCC[NH+](C)C)CC2 ZINC001171290645 1032257907 /nfs/dbraw/zinc/25/79/07/1032257907.db2.gz AERHCPJOQWXQBQ-CQSZACIVSA-N 2 0 324.896 3.527 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493425 1017071126 /nfs/dbraw/zinc/07/11/26/1017071126.db2.gz DWEZAGDMDIZUAB-IAGOWNOFSA-N 2 0 316.489 3.578 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000623510905 1017077284 /nfs/dbraw/zinc/07/72/84/1017077284.db2.gz PYXSIWZAIDVKHA-NXHRZFHOSA-N 2 0 304.453 3.924 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000623510904 1017078044 /nfs/dbraw/zinc/07/80/44/1017078044.db2.gz PYXSIWZAIDVKHA-NJAFHUGGSA-N 2 0 304.453 3.924 20 0 DHADRP [NH3+]CCc1cc2ccccc2n1-c1cc[nH+]c(N2CCCCC2)c1 ZINC001171305691 1032312295 /nfs/dbraw/zinc/31/22/95/1032312295.db2.gz VHCKWJKWRUGRAJ-UHFFFAOYSA-N 2 0 320.440 3.517 20 0 DHADRP CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168331137 1032318799 /nfs/dbraw/zinc/31/87/99/1032318799.db2.gz ZVNUXRKYBQXPDI-ACBHZAAOSA-N 2 0 316.489 3.843 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000119955018 1032333060 /nfs/dbraw/zinc/33/30/60/1032333060.db2.gz XTNWNSUPXIAOLP-GJZGRUSLSA-N 2 0 306.450 3.576 20 0 DHADRP c1ccc(CCCC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001204885119 1032356169 /nfs/dbraw/zinc/35/61/69/1032356169.db2.gz JEMQCERLPLBZLY-FQEVSTJZSA-N 2 0 300.490 3.721 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000120419970 1032367998 /nfs/dbraw/zinc/36/79/98/1032367998.db2.gz OEIOZTQSWJBGNI-AWEZNQCLSA-N 2 0 312.404 3.815 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+]C[C@@H]3CC=CCC3)CC2)c1 ZINC000120597655 1032383242 /nfs/dbraw/zinc/38/32/42/1032383242.db2.gz IIUSLFHDXGMMDI-MRXNPFEDSA-N 2 0 304.503 3.906 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)CCC2 ZINC000090585788 1032407386 /nfs/dbraw/zinc/40/73/86/1032407386.db2.gz OUSNCTIDXWCNIA-CVEARBPZSA-N 2 0 321.534 3.787 20 0 DHADRP Cn1ccnc1CC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168341747 1032414425 /nfs/dbraw/zinc/41/44/25/1032414425.db2.gz QYYPKUSETOVSAS-UHFFFAOYSA-N 2 0 317.864 3.932 20 0 DHADRP Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(F)c1F ZINC000630054314 1017271516 /nfs/dbraw/zinc/27/15/16/1017271516.db2.gz NKEZYFTXNPSPKX-UHFFFAOYSA-N 2 0 316.395 3.863 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000666937630 1032443809 /nfs/dbraw/zinc/44/38/09/1032443809.db2.gz JLAGHBRPEKXKTL-JTQLQIEISA-N 2 0 306.784 3.549 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000115628620 1017081171 /nfs/dbraw/zinc/08/11/71/1017081171.db2.gz FOKFYGNBMMNLEH-QAPCUYQASA-N 2 0 324.896 3.567 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000684952956 1017084249 /nfs/dbraw/zinc/08/42/49/1017084249.db2.gz AVABDDMVRMXROD-FUHWJXTLSA-N 2 0 301.478 3.703 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684954378 1017090319 /nfs/dbraw/zinc/09/03/19/1017090319.db2.gz ZXCPLWSGOWFWHM-SFHVURJKSA-N 2 0 301.478 3.561 20 0 DHADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000475220705 1017091151 /nfs/dbraw/zinc/09/11/51/1017091151.db2.gz QMEDTUVUPWUORB-BAGYTPMASA-N 2 0 320.480 3.902 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000122322171 1032534437 /nfs/dbraw/zinc/53/44/37/1032534437.db2.gz RHQFZGSHSYHJIS-LPHOPBHVSA-N 2 0 316.489 3.955 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171397019 1032580411 /nfs/dbraw/zinc/58/04/11/1032580411.db2.gz NYZGSMMHPAXPGL-JFIYKMOQSA-N 2 0 318.480 3.641 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000541555112 1032580632 /nfs/dbraw/zinc/58/06/32/1032580632.db2.gz MKNAEXVBOBLZQM-KBAYOESNSA-N 2 0 310.551 3.905 20 0 DHADRP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000643497145 1032584949 /nfs/dbraw/zinc/58/49/49/1032584949.db2.gz GDVUSIDXIBMJPA-AEFFLSMTSA-N 2 0 306.881 3.640 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](C(C)C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC000424265705 1011951840 /nfs/dbraw/zinc/95/18/40/1011951840.db2.gz KGPVISSBYWVRFH-JAZQRGJZSA-N 2 0 322.537 3.680 20 0 DHADRP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000424280738 1011970789 /nfs/dbraw/zinc/97/07/89/1011970789.db2.gz HQLUQGUGOKQPSJ-WFASDCNBSA-N 2 0 321.465 3.634 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424329742 1011981707 /nfs/dbraw/zinc/98/17/07/1011981707.db2.gz PXDSKIHTOWABBZ-ORYQWCPZSA-N 2 0 312.501 3.860 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)ccc2c1 ZINC000424373874 1012013189 /nfs/dbraw/zinc/01/31/89/1012013189.db2.gz HOWHFGICJVPYEU-MRXNPFEDSA-N 2 0 324.468 3.812 20 0 DHADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001168353719 1032595620 /nfs/dbraw/zinc/59/56/20/1032595620.db2.gz RDSBYSOMVRXRNH-UHFFFAOYSA-N 2 0 302.506 3.667 20 0 DHADRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001168353684 1032598534 /nfs/dbraw/zinc/59/85/34/1032598534.db2.gz QGTINWYBEVXPTD-UHFFFAOYSA-N 2 0 315.505 3.644 20 0 DHADRP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000683141844 1012103831 /nfs/dbraw/zinc/10/38/31/1012103831.db2.gz WYIGGUGAKUKADD-PMACEKPBSA-N 2 0 318.505 3.818 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643547172 1012111758 /nfs/dbraw/zinc/11/17/58/1012111758.db2.gz ANSWJPZPVGFTCY-SJLPKXTDSA-N 2 0 314.473 3.781 20 0 DHADRP COc1cccc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123501281 1012143537 /nfs/dbraw/zinc/14/35/37/1012143537.db2.gz HIGOBXMXINDVPY-INIZCTEOSA-N 2 0 304.478 3.810 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000643497271 1032614187 /nfs/dbraw/zinc/61/41/87/1032614187.db2.gz ADBXURKBNWBRHX-ZDUSSCGKSA-N 2 0 310.869 3.777 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172854523 1033422636 /nfs/dbraw/zinc/42/26/36/1033422636.db2.gz OVIPXWCWGLGNRE-CYBMUJFWSA-N 2 0 300.849 3.732 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCCc2c(F)cccc2Cl)C1 ZINC000514693548 1012412232 /nfs/dbraw/zinc/41/22/32/1012412232.db2.gz QRWXPVBBSRBFOA-KSSFIOAISA-N 2 0 324.871 3.828 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171419461 1032626747 /nfs/dbraw/zinc/62/67/47/1032626747.db2.gz QMGAHGDOFBXBQE-KZNAEPCWSA-N 2 0 318.480 3.926 20 0 DHADRP C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515069160 1012552151 /nfs/dbraw/zinc/55/21/51/1012552151.db2.gz YLAFKYFDSHFQSG-CYBMUJFWSA-N 2 0 316.395 3.804 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000515148126 1012566274 /nfs/dbraw/zinc/56/62/74/1012566274.db2.gz ZVPZYCVOKZOYEB-XLWJZTARSA-N 2 0 306.416 3.673 20 0 DHADRP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000515232812 1012582507 /nfs/dbraw/zinc/58/25/07/1012582507.db2.gz YYKWJWPXFGUAQT-BRWVUGGUSA-N 2 0 304.503 3.637 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436284343 1012708862 /nfs/dbraw/zinc/70/88/62/1012708862.db2.gz NHAPQDDAPKLYHV-UHOSZYNNSA-N 2 0 308.510 3.578 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000123592197 1032651446 /nfs/dbraw/zinc/65/14/46/1032651446.db2.gz ZAFVCZHBYQEJOV-ZDUSSCGKSA-N 2 0 317.502 3.926 20 0 DHADRP CSc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167961758 1012802731 /nfs/dbraw/zinc/80/27/31/1012802731.db2.gz PTPOCRTUDCQDTB-AYHJJNSGSA-N 2 0 316.514 3.904 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000516632347 1012805382 /nfs/dbraw/zinc/80/53/82/1012805382.db2.gz UZHGUKQPXUJKRM-NSHDSACASA-N 2 0 309.866 3.681 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425941599 1012984438 /nfs/dbraw/zinc/98/44/38/1012984438.db2.gz CBDNLEDEVQUAJF-ZIAGYGMSSA-N 2 0 317.502 3.967 20 0 DHADRP CCCC[C@@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](C[C@H](C)CO)CC2 ZINC001280200530 1013017720 /nfs/dbraw/zinc/01/77/20/1013017720.db2.gz LGRRTMDGZWJNJL-RBUKOAKNSA-N 2 0 324.553 3.619 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000178131978 1017164032 /nfs/dbraw/zinc/16/40/32/1017164032.db2.gz FHSPHIXUSYBSEY-INIZCTEOSA-N 2 0 316.445 3.851 20 0 DHADRP COc1ccc([C@H](C)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000179685349 1017284358 /nfs/dbraw/zinc/28/43/58/1017284358.db2.gz MPMKYCDTLUVBRH-QGZVFWFLSA-N 2 0 316.489 3.607 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000075007726 1017286499 /nfs/dbraw/zinc/28/64/99/1017286499.db2.gz MMHYDWXYCLLTQR-INIZCTEOSA-N 2 0 322.468 3.710 20 0 DHADRP CCSCC[N@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154822 1017379171 /nfs/dbraw/zinc/37/91/71/1017379171.db2.gz PRPFGSBBMMVMBK-SFHVURJKSA-N 2 0 306.519 3.584 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000180406769 1017438314 /nfs/dbraw/zinc/43/83/14/1017438314.db2.gz RSKVQOHSWLZIBS-HXUWFJFHSA-N 2 0 300.490 3.779 20 0 DHADRP CSCC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685111 1032702119 /nfs/dbraw/zinc/70/21/19/1032702119.db2.gz WZLNOWKQKAQGSP-WNHJNPCNSA-N 2 0 318.530 3.771 20 0 DHADRP CSC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716682805 1032702567 /nfs/dbraw/zinc/70/25/67/1032702567.db2.gz POLANNXOHSRLHQ-BZSNNMDCSA-N 2 0 316.514 3.525 20 0 DHADRP Cc1nccn1CCC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000338009739 1017495090 /nfs/dbraw/zinc/49/50/90/1017495090.db2.gz VKTDKWFKWKOXQX-GRTSSRMGSA-N 2 0 317.399 3.928 20 0 DHADRP C[C@@H]1SCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685979 1032703567 /nfs/dbraw/zinc/70/35/67/1032703567.db2.gz YSIQMEAUYNBDOL-BHNDVYRESA-N 2 0 316.514 3.523 20 0 DHADRP CC[C@@H](CSC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716684810 1032703608 /nfs/dbraw/zinc/70/36/08/1032703608.db2.gz VVWAIGTVHNHQRK-OKYOBFRVSA-N 2 0 318.530 3.771 20 0 DHADRP CCCn1cc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)cn1 ZINC000180789366 1017507002 /nfs/dbraw/zinc/50/70/02/1017507002.db2.gz GWPOKOPAFVIAKU-UHFFFAOYSA-N 2 0 320.525 3.627 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000249117599 1017517606 /nfs/dbraw/zinc/51/76/06/1017517606.db2.gz SQCKCYXSBSVQRB-UWJYYQICSA-N 2 0 324.443 3.925 20 0 DHADRP FC(F)(F)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623821870 1017524361 /nfs/dbraw/zinc/52/43/61/1017524361.db2.gz JZTGYYKJZLSPBH-HOTGVXAUSA-N 2 0 312.379 3.508 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000623832920 1017529882 /nfs/dbraw/zinc/52/98/82/1017529882.db2.gz LQTCZCHOACHOPY-JFIYKMOQSA-N 2 0 304.865 3.934 20 0 DHADRP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073663 1017531881 /nfs/dbraw/zinc/53/18/81/1017531881.db2.gz CTTKCIRLACJIBW-LNLFQRSKSA-N 2 0 316.489 3.999 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623864119 1017538547 /nfs/dbraw/zinc/53/85/47/1017538547.db2.gz GXKGFRKRFSWNTE-HNNXBMFYSA-N 2 0 307.507 3.622 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2scnc21 ZINC000623863884 1017540276 /nfs/dbraw/zinc/54/02/76/1017540276.db2.gz BDHKNPUCSGAGPM-CABCVRRESA-N 2 0 307.507 3.765 20 0 DHADRP C[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1(F)F ZINC000716731668 1032706698 /nfs/dbraw/zinc/70/66/98/1032706698.db2.gz MFLAZAWFWCLGOY-MHORFTMASA-N 2 0 320.427 3.674 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCCO1 ZINC000623854480 1017544430 /nfs/dbraw/zinc/54/44/30/1017544430.db2.gz AAGMZSHUPSPSHG-PXNSSMCTSA-N 2 0 316.489 3.720 20 0 DHADRP CC[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613146 1017575195 /nfs/dbraw/zinc/57/51/95/1017575195.db2.gz WRMMIOKKXIIOCZ-YLJYHZDGSA-N 2 0 315.505 3.852 20 0 DHADRP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000444570769 1017577191 /nfs/dbraw/zinc/57/71/91/1017577191.db2.gz OYNZFJSICKHHBR-IBGZPJMESA-N 2 0 300.490 3.988 20 0 DHADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000657617081 1017580530 /nfs/dbraw/zinc/58/05/30/1017580530.db2.gz VYTZTCQWRBISPX-MGPUTAFESA-N 2 0 303.409 3.690 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613563 1017583676 /nfs/dbraw/zinc/58/36/76/1017583676.db2.gz NNAMVXHQEAVGQF-VQIMIIECSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613560 1017584208 /nfs/dbraw/zinc/58/42/08/1017584208.db2.gz NNAMVXHQEAVGQF-APWZRJJASA-N 2 0 315.505 3.708 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+]CC3CCCCCC3)CC2)ccn1 ZINC000657613763 1017585544 /nfs/dbraw/zinc/58/55/44/1017585544.db2.gz RCQBZKQXYSVOPI-UHFFFAOYSA-N 2 0 315.505 3.854 20 0 DHADRP Clc1ccc2c(n1)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000857904420 1032710351 /nfs/dbraw/zinc/71/03/51/1032710351.db2.gz GUROKCHCSJKERS-INIZCTEOSA-N 2 0 321.896 3.968 20 0 DHADRP c1ccc(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000444624140 1017598225 /nfs/dbraw/zinc/59/82/25/1017598225.db2.gz KYNCAHLABJRRRV-HXUWFJFHSA-N 2 0 300.490 3.817 20 0 DHADRP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000624120619 1017691137 /nfs/dbraw/zinc/69/11/37/1017691137.db2.gz CNHQVSUGKCIGEN-LPHOPBHVSA-N 2 0 304.478 3.858 20 0 DHADRP CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000624120618 1017692880 /nfs/dbraw/zinc/69/28/80/1017692880.db2.gz CNHQVSUGKCIGEN-APWZRJJASA-N 2 0 304.478 3.858 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1SC ZINC000624121446 1017695522 /nfs/dbraw/zinc/69/55/22/1017695522.db2.gz WMWQJMVONAQILC-HUUCEWRRSA-N 2 0 322.518 3.800 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122627 1017696997 /nfs/dbraw/zinc/69/69/97/1017696997.db2.gz XACLEWUHLNZWSJ-JKSUJKDBSA-N 2 0 306.519 3.661 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624123712 1017697054 /nfs/dbraw/zinc/69/70/54/1017697054.db2.gz RIQNIYODWGXEAX-XAMWDVODSA-N 2 0 316.489 3.509 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CCC2 ZINC000367178940 1017748027 /nfs/dbraw/zinc/74/80/27/1017748027.db2.gz CRMYCAGRYFNSCJ-WNHJNPCNSA-N 2 0 309.457 3.851 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(OCC2CC2)c(F)c1 ZINC000181594478 1017771724 /nfs/dbraw/zinc/77/17/24/1017771724.db2.gz QDHHULJTBDEKDN-PBHICJAKSA-N 2 0 320.452 3.749 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000182067703 1017858933 /nfs/dbraw/zinc/85/89/33/1017858933.db2.gz LPDIDJDIGUYQLI-QGZVFWFLSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2OCC3)CC1 ZINC000926914974 1032725499 /nfs/dbraw/zinc/72/54/99/1032725499.db2.gz CPODKVPSNYJZKL-IJXRJRJASA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624223895 1017889463 /nfs/dbraw/zinc/88/94/63/1017889463.db2.gz HAPISXGQWLAGOV-ZWKOTPCHSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658030843 1017957941 /nfs/dbraw/zinc/95/79/41/1017957941.db2.gz VDCQYPNXYNIFAS-YOYVGRRSSA-N 2 0 312.501 3.711 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658064519 1018015745 /nfs/dbraw/zinc/01/57/45/1018015745.db2.gz OQHOQZYJMHFMCY-WSTZPKSXSA-N 2 0 323.484 3.685 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccn(C)c3)cc2)C1 ZINC000123258643 1018057708 /nfs/dbraw/zinc/05/77/08/1018057708.db2.gz KPEBFTGANUSJCZ-KRWDZBQOSA-N 2 0 311.473 3.547 20 0 DHADRP Cc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000154003283 1018093205 /nfs/dbraw/zinc/09/32/05/1018093205.db2.gz BHXJBTOCWKUKBS-SFHVURJKSA-N 2 0 315.505 3.867 20 0 DHADRP C[C@@H]([NH2+]CCCOc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185690785 1018125875 /nfs/dbraw/zinc/12/58/75/1018125875.db2.gz CULLDHBCOPNQDO-MSOLQXFVSA-N 2 0 316.489 3.698 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCCNc3ccccc32)CCCC1 ZINC000193287523 1018138832 /nfs/dbraw/zinc/13/88/32/1018138832.db2.gz RSOZMERCMHTNIS-GOSISDBHSA-N 2 0 301.478 3.645 20 0 DHADRP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380299062 1018140679 /nfs/dbraw/zinc/14/06/79/1018140679.db2.gz HKCOPYWDOGJOBF-UPJWGTAASA-N 2 0 313.272 3.986 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171474335 1032744478 /nfs/dbraw/zinc/74/44/78/1032744478.db2.gz VUOCPYJWLVLHPB-PBHICJAKSA-N 2 0 322.443 3.663 20 0 DHADRP CCCNc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000193357758 1018141141 /nfs/dbraw/zinc/14/11/41/1018141141.db2.gz WCRGTLAWABTTFE-UHFFFAOYSA-N 2 0 303.494 3.861 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657738685 1018149357 /nfs/dbraw/zinc/14/93/57/1018149357.db2.gz NANOXNBLMGUNED-OIISXLGYSA-N 2 0 322.443 3.920 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000841054951 1018152146 /nfs/dbraw/zinc/15/21/46/1018152146.db2.gz IFMXZPBZTOQWOR-RYUDHWBXSA-N 2 0 304.381 3.658 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000315099913 1032746731 /nfs/dbraw/zinc/74/67/31/1032746731.db2.gz NVXCYVZIDIVENF-CABCVRRESA-N 2 0 308.441 3.607 20 0 DHADRP CC(C)(C)OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000674908235 1018190568 /nfs/dbraw/zinc/19/05/68/1018190568.db2.gz JWVDNCQYHJEASA-SFHVURJKSA-N 2 0 310.526 3.780 20 0 DHADRP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000380945275 1018214525 /nfs/dbraw/zinc/21/45/25/1018214525.db2.gz OKWNLNAPMAWFFC-FQEVSTJZSA-N 2 0 308.469 3.915 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000658184012 1018223686 /nfs/dbraw/zinc/22/36/86/1018223686.db2.gz HAIUSXVXPPTFIZ-FUHWJXTLSA-N 2 0 310.526 3.824 20 0 DHADRP CCC[N@H+](C)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000566482746 1018283452 /nfs/dbraw/zinc/28/34/52/1018283452.db2.gz QCIRRUDMIWFIGV-FGTMMUONSA-N 2 0 323.912 3.582 20 0 DHADRP CCC[N@H+](C)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000566482750 1018284161 /nfs/dbraw/zinc/28/41/61/1018284161.db2.gz QCIRRUDMIWFIGV-KZNAEPCWSA-N 2 0 323.912 3.582 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000155399302 1018286559 /nfs/dbraw/zinc/28/65/59/1018286559.db2.gz UMKJJKXJWAGMBB-UHFFFAOYSA-N 2 0 317.521 3.757 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000446886416 1018288734 /nfs/dbraw/zinc/28/87/34/1018288734.db2.gz GJDPEGYNBWLNQH-IBGZPJMESA-N 2 0 318.505 3.549 20 0 DHADRP Clc1cccc(Cl)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446886699 1018289317 /nfs/dbraw/zinc/28/93/17/1018289317.db2.gz IYIGTBMXLREUHM-UHFFFAOYSA-N 2 0 313.272 3.957 20 0 DHADRP Cn1cncc1CC[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764403 1018291266 /nfs/dbraw/zinc/29/12/66/1018291266.db2.gz ZMPYIWNHCJDEAY-LJQANCHMSA-N 2 0 309.457 3.970 20 0 DHADRP C/C(=C/c1ccccc1)C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000525484850 1018302318 /nfs/dbraw/zinc/30/23/18/1018302318.db2.gz UORHHANKWSGQFX-GWVOEYNXSA-N 2 0 316.489 3.569 20 0 DHADRP FC(F)Sc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000841089446 1018309790 /nfs/dbraw/zinc/30/97/90/1018309790.db2.gz NEOMVCGLIVNNKG-ZDUSSCGKSA-N 2 0 312.429 3.766 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](C3c4ccccc4-c4ccccc43)C[C@H]21 ZINC000261629873 1018386678 /nfs/dbraw/zinc/38/66/78/1018386678.db2.gz CXBXUEIFXQOFAG-VHKYSDTDSA-N 2 0 304.437 3.816 20 0 DHADRP c1coc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000447519304 1018403221 /nfs/dbraw/zinc/40/32/21/1018403221.db2.gz GMPDLEZNAOQIST-LDLYASANSA-N 2 0 310.441 3.607 20 0 DHADRP CCC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCOCC1 ZINC000925197326 1018410043 /nfs/dbraw/zinc/41/00/43/1018410043.db2.gz LVUMPAUBIZIZIM-INIZCTEOSA-N 2 0 304.478 3.606 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C12CCCCC2 ZINC000447568350 1018418197 /nfs/dbraw/zinc/41/81/97/1018418197.db2.gz JFDCEUMEBKYWKP-OALUTQOASA-N 2 0 320.521 3.578 20 0 DHADRP c1ccc(CC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000383592801 1018419965 /nfs/dbraw/zinc/41/99/65/1018419965.db2.gz OFHJGHKXRBDEKO-FGZHOGPDSA-N 2 0 320.480 3.683 20 0 DHADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2ccccc2)s1 ZINC000447595819 1018433445 /nfs/dbraw/zinc/43/34/45/1018433445.db2.gz AQFNNSGTBKDYRJ-HNNXBMFYSA-N 2 0 318.486 3.644 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447797629 1018473979 /nfs/dbraw/zinc/47/39/79/1018473979.db2.gz LUQVTOMKVKKUSA-UHFFFAOYSA-N 2 0 312.860 3.685 20 0 DHADRP COCCC1(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)CCCCC1 ZINC000447904891 1018497859 /nfs/dbraw/zinc/49/78/59/1018497859.db2.gz RWWLORXOTAFLLT-KRWDZBQOSA-N 2 0 310.526 3.683 20 0 DHADRP COCCC1(C[NH2+]C[C@H]2N(C)CCCC2(C)C)CCCCC1 ZINC000447904892 1018498334 /nfs/dbraw/zinc/49/83/34/1018498334.db2.gz RWWLORXOTAFLLT-QGZVFWFLSA-N 2 0 310.526 3.683 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CCCCOc2ccccc2)CC1 ZINC000527106746 1018514842 /nfs/dbraw/zinc/51/48/42/1018514842.db2.gz ZXGKVERSJOFRTL-UHFFFAOYSA-N 2 0 304.478 3.652 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000527111148 1018517510 /nfs/dbraw/zinc/51/75/10/1018517510.db2.gz BETSZHRFBBOFCC-CQSZACIVSA-N 2 0 318.411 3.920 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC000650708947 1018530406 /nfs/dbraw/zinc/53/04/06/1018530406.db2.gz WDGSEMUPNZGIRE-QRVBRYPASA-N 2 0 308.510 3.565 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714250 1018549135 /nfs/dbraw/zinc/54/91/35/1018549135.db2.gz XDCMMOOJVCERHR-CYBMUJFWSA-N 2 0 314.395 3.745 20 0 DHADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527350125 1018553575 /nfs/dbraw/zinc/55/35/75/1018553575.db2.gz ZARLGTLVHMOSGM-QFBILLFUSA-N 2 0 300.490 3.923 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000650716795 1018553847 /nfs/dbraw/zinc/55/38/47/1018553847.db2.gz KBSATGLNSDOHFT-MJGOQNOKSA-N 2 0 316.395 3.849 20 0 DHADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000583564431 1018564663 /nfs/dbraw/zinc/56/46/63/1018564663.db2.gz QDBDMGWFIGIGMN-LJDSDSDDSA-N 2 0 316.464 3.767 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000675734069 1018567202 /nfs/dbraw/zinc/56/72/02/1018567202.db2.gz ZFBJDNMMYOPHMS-LJQANCHMSA-N 2 0 306.469 3.857 20 0 DHADRP C[C@H]([NH2+]CCCCOc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000675780233 1018581651 /nfs/dbraw/zinc/58/16/51/1018581651.db2.gz GCVZLNNEOOUQHJ-HNNXBMFYSA-N 2 0 324.896 3.819 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc2c1 ZINC000315399597 1032776008 /nfs/dbraw/zinc/77/60/08/1032776008.db2.gz UYBFYPLACAZCFI-CABCVRRESA-N 2 0 300.446 3.839 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000675925502 1018626526 /nfs/dbraw/zinc/62/65/26/1018626526.db2.gz WUACSLHBKUGXDQ-DBVUQKKJSA-N 2 0 316.489 3.535 20 0 DHADRP c1cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2s1 ZINC000650740834 1018630480 /nfs/dbraw/zinc/63/04/80/1018630480.db2.gz SGXHLYOCUJCYAM-GVDBMIGSSA-N 2 0 300.471 3.912 20 0 DHADRP C[C@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC001171554683 1032776347 /nfs/dbraw/zinc/77/63/47/1032776347.db2.gz NFAQYCJMKXWATQ-QGZVFWFLSA-N 2 0 301.478 3.810 20 0 DHADRP C[C@@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000675932342 1018635368 /nfs/dbraw/zinc/63/53/68/1018635368.db2.gz ULGYQBJONJKXEZ-LPMFXHHGSA-N 2 0 304.453 3.769 20 0 DHADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)C(c1ccccc1)c1ccccc1 ZINC000650745670 1018642335 /nfs/dbraw/zinc/64/23/35/1018642335.db2.gz LKKFSXWPEILGOM-KRWDZBQOSA-N 2 0 308.469 3.926 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1F ZINC000650752785 1018668016 /nfs/dbraw/zinc/66/80/16/1018668016.db2.gz AKQYWXDNURBDRZ-LLVKDONJSA-N 2 0 322.424 3.996 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753059 1018670435 /nfs/dbraw/zinc/67/04/35/1018670435.db2.gz FUPHKQZUGLBSMU-HXPMCKFVSA-N 2 0 316.395 3.837 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138334 1032778398 /nfs/dbraw/zinc/77/83/98/1032778398.db2.gz XCDLOJLSTFYUNA-STQMWFEESA-N 2 0 303.475 3.820 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000650756364 1018683077 /nfs/dbraw/zinc/68/30/77/1018683077.db2.gz ZPALRNAZNJTHEG-UHFFFAOYSA-N 2 0 316.489 3.766 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000650757517 1018687846 /nfs/dbraw/zinc/68/78/46/1018687846.db2.gz YWDSWHGKQFMQIM-FQEVSTJZSA-N 2 0 312.457 3.902 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000650757909 1018692110 /nfs/dbraw/zinc/69/21/10/1018692110.db2.gz DQTWMSOLFHWOMA-HNNXBMFYSA-N 2 0 305.425 3.805 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2occc2C)CC1)CC1CC1 ZINC000536140524 1018704548 /nfs/dbraw/zinc/70/45/48/1018704548.db2.gz JTSBXWDOSWRSRL-UHFFFAOYSA-N 2 0 304.478 3.922 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)C2)c1 ZINC000650761680 1018706786 /nfs/dbraw/zinc/70/67/86/1018706786.db2.gz HOQVMPVGDGEJKB-AEFFLSMTSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001171560605 1032780227 /nfs/dbraw/zinc/78/02/27/1032780227.db2.gz UEBVVXABHOKKHC-IBGZPJMESA-N 2 0 321.468 3.506 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1sccc1Br ZINC000650764000 1018714529 /nfs/dbraw/zinc/71/45/29/1018714529.db2.gz OBWQTSWSEBBRGR-JTQLQIEISA-N 2 0 317.296 3.551 20 0 DHADRP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000650764269 1018715000 /nfs/dbraw/zinc/71/50/00/1018715000.db2.gz UXUCAIHAPYKAOT-WOSRLPQWSA-N 2 0 324.390 3.672 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278475590 1018722526 /nfs/dbraw/zinc/72/25/26/1018722526.db2.gz OFVHOQRKJWKUPV-CQSZACIVSA-N 2 0 304.503 3.934 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCSC(F)(F)F)CC2)C1 ZINC000765238082 1018725863 /nfs/dbraw/zinc/72/58/63/1018725863.db2.gz BVCHTTIINKQWPF-JSGCOSHPSA-N 2 0 324.456 3.872 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000765246516 1018729530 /nfs/dbraw/zinc/72/95/30/1018729530.db2.gz UIYNTBHQXJCERU-JSGCOSHPSA-N 2 0 324.456 3.872 20 0 DHADRP Cc1ccc2cc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000825762402 1032783612 /nfs/dbraw/zinc/78/36/12/1032783612.db2.gz LJSCMMAVDSPAJY-UHFFFAOYSA-N 2 0 311.473 3.784 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCn3ccnc3C1)CCS2 ZINC000427891056 1018737978 /nfs/dbraw/zinc/73/79/78/1018737978.db2.gz KYHNRAFPDZELRT-GDBMZVCRSA-N 2 0 313.470 3.641 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c(C)s1 ZINC000676489320 1018749897 /nfs/dbraw/zinc/74/98/97/1018749897.db2.gz JRORIWKBSJNZRX-AWEZNQCLSA-N 2 0 309.523 3.923 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(C)s1 ZINC000676489959 1018751959 /nfs/dbraw/zinc/75/19/59/1018751959.db2.gz LKGXBQUUTGLGCV-KBPBESRZSA-N 2 0 309.523 3.923 20 0 DHADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001118059891 1018762450 /nfs/dbraw/zinc/76/24/50/1018762450.db2.gz ULJJOUCJUDWJTB-XHDPSFHLSA-N 2 0 316.367 3.624 20 0 DHADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC[C@@H]2CC2(Cl)Cl)CCC1 ZINC000903811192 1018763260 /nfs/dbraw/zinc/76/32/60/1018763260.db2.gz JNQIKUZVRYQACW-OLZOCXBDSA-N 2 0 305.293 3.554 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278528051 1018783549 /nfs/dbraw/zinc/78/35/49/1018783549.db2.gz UGEBNJISCSOYQL-UHFFFAOYSA-N 2 0 324.415 3.560 20 0 DHADRP CSCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000385789419 1018789774 /nfs/dbraw/zinc/78/97/74/1018789774.db2.gz DQMDOFPGQVQRKD-YXYCDRMUSA-N 2 0 310.551 3.809 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000315457382 1032782644 /nfs/dbraw/zinc/78/26/44/1032782644.db2.gz XBPOJOPKEJGVML-DLBZAZTESA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](C)CC(F)F)CC1 ZINC000647319585 1018858749 /nfs/dbraw/zinc/85/87/49/1018858749.db2.gz DXKDRVIVDBAVAB-JKSUJKDBSA-N 2 0 324.459 3.963 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000133145528 1018886005 /nfs/dbraw/zinc/88/60/05/1018886005.db2.gz YICWZMHQEYDVGQ-GJYPPUQNSA-N 2 0 322.468 3.613 20 0 DHADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCCSCC1 ZINC000657823202 1018910894 /nfs/dbraw/zinc/91/08/94/1018910894.db2.gz BHTUVHDPBPRWBQ-GOSISDBHSA-N 2 0 304.503 3.658 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC(C)(C)Cc2cccnc2)CC1(C)C ZINC001171630272 1032794775 /nfs/dbraw/zinc/79/47/75/1032794775.db2.gz KLBKRQONKFRNPO-UHFFFAOYSA-N 2 0 317.521 3.891 20 0 DHADRP CC(C)CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000584080626 1018930235 /nfs/dbraw/zinc/93/02/35/1018930235.db2.gz KUTYOYQDHNVAHL-YLJYHZDGSA-N 2 0 318.505 3.884 20 0 DHADRP [NH3+]CC[C@H]1CN(c2cc(N3CCCCC3)cc[nH+]2)c2ccccc21 ZINC001168544572 1018934977 /nfs/dbraw/zinc/93/49/77/1018934977.db2.gz KMRDEDLURTYZHQ-INIZCTEOSA-N 2 0 322.456 3.656 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171629159 1032796006 /nfs/dbraw/zinc/79/60/06/1032796006.db2.gz NZVWFBOQTAFXSN-SAABIXHNSA-N 3 0 323.569 3.880 20 0 DHADRP CCOC1CCC([NH2+]C[C@H](C(C)C)N2CCC(C)CC2)CC1 ZINC000657834778 1019014559 /nfs/dbraw/zinc/01/45/59/1019014559.db2.gz PTEDXWSQCONPQT-CTWPCTMYSA-N 2 0 310.526 3.680 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220671 1019027653 /nfs/dbraw/zinc/02/76/53/1019027653.db2.gz PPYGCOLFFZLQHM-MLGOLLRUSA-N 2 0 313.272 3.910 20 0 DHADRP C[C@@H](c1ccccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584232564 1019038540 /nfs/dbraw/zinc/03/85/40/1019038540.db2.gz ZJNVRNYOQCICEJ-XJKSGUPXSA-N 2 0 323.278 3.586 20 0 DHADRP C[C@H]1CCC[C@@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000387343635 1019084828 /nfs/dbraw/zinc/08/48/28/1019084828.db2.gz WXKYTLAQLFYPOB-IRXDYDNUSA-N 2 0 301.478 3.856 20 0 DHADRP C[C@@H]1CCC[C@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000387343632 1019085142 /nfs/dbraw/zinc/08/51/42/1019085142.db2.gz WXKYTLAQLFYPOB-IAGOWNOFSA-N 2 0 301.478 3.856 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657840612 1019104498 /nfs/dbraw/zinc/10/44/98/1019104498.db2.gz IBOLFPPDPUSYRY-UHFFFAOYSA-N 2 0 310.432 3.706 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624120 1032808655 /nfs/dbraw/zinc/80/86/55/1032808655.db2.gz NDUUNMOBKALREI-OAHLLOKOSA-N 2 0 318.505 3.954 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000635003878 1019119520 /nfs/dbraw/zinc/11/95/20/1019119520.db2.gz BPERHHQPCCLLOG-RHSMWYFYSA-N 2 0 310.432 3.750 20 0 DHADRP Cc1csc([C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923323137 1019131690 /nfs/dbraw/zinc/13/16/90/1019131690.db2.gz CTCBUAMSKOTDTN-IFFAKLHKSA-N 2 0 319.518 3.552 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010942 1019134511 /nfs/dbraw/zinc/13/45/11/1019134511.db2.gz OIUYQJJHOGIGPK-GFCCVEGCSA-N 2 0 300.368 3.543 20 0 DHADRP C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171644875 1032809726 /nfs/dbraw/zinc/80/97/26/1032809726.db2.gz RQJZFEFKEBPLHE-KRWDZBQOSA-N 2 0 316.489 3.573 20 0 DHADRP FC(F)(F)CCN(CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923370112 1019156106 /nfs/dbraw/zinc/15/61/06/1019156106.db2.gz DBRQWGOXPVQROW-UHFFFAOYSA-N 2 0 300.368 3.583 20 0 DHADRP CC[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC)cc1 ZINC000923377959 1019157597 /nfs/dbraw/zinc/15/75/97/1019157597.db2.gz YKYMYFGPXOYOKV-KTWXZFIHSA-N 2 0 302.462 3.657 20 0 DHADRP Cc1ccc(C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2CC2)cn1 ZINC000923384980 1019159480 /nfs/dbraw/zinc/15/94/80/1019159480.db2.gz RIGQVNSEVPYFAW-CTXDPNEZSA-N 2 0 313.489 3.523 20 0 DHADRP C[C@H](c1cccc2ccccc21)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449221 1019208745 /nfs/dbraw/zinc/20/87/45/1019208745.db2.gz LRWDDSSWSVDREF-SJLPKXTDSA-N 2 0 324.468 3.731 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC000081635648 1019222788 /nfs/dbraw/zinc/22/27/88/1019222788.db2.gz XNRSOJNEKXUKCK-LJQANCHMSA-N 2 0 316.489 3.509 20 0 DHADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000923480879 1019232745 /nfs/dbraw/zinc/23/27/45/1019232745.db2.gz LYDGRJCAEMTCNW-SNVBAGLBSA-N 2 0 306.759 3.530 20 0 DHADRP CC[N@H+](CCc1ccncc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063419 1019281904 /nfs/dbraw/zinc/28/19/04/1019281904.db2.gz CNVWDKKWSGYCLJ-UHFFFAOYSA-N 2 0 311.473 3.516 20 0 DHADRP CC[N@H+](CCc1cccc(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063761 1019282971 /nfs/dbraw/zinc/28/29/71/1019282971.db2.gz PIRSXFLVBISNPV-UHFFFAOYSA-N 2 0 311.473 3.516 20 0 DHADRP Cc1nccn1CC[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000921626616 1019298656 /nfs/dbraw/zinc/29/86/56/1019298656.db2.gz AEXFCPOMAFSVAF-UHFFFAOYSA-N 2 0 321.424 3.560 20 0 DHADRP C[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000924633841 1032825634 /nfs/dbraw/zinc/82/56/34/1032825634.db2.gz KQOHDRMXGCDINK-IERDGZPVSA-N 2 0 324.468 3.540 20 0 DHADRP COc1cccc(C2CC[NH+](CCCCCCC[NH3+])CC2)c1 ZINC000842472110 1019378603 /nfs/dbraw/zinc/37/86/03/1019378603.db2.gz QYNKTBZJLRWJBR-UHFFFAOYSA-N 2 0 304.478 3.784 20 0 DHADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090218292 1019384804 /nfs/dbraw/zinc/38/48/04/1019384804.db2.gz NIIOQUMNZYDOSD-FXAWDEMLSA-N 2 0 322.537 3.824 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2)cc1 ZINC000090115114 1019400425 /nfs/dbraw/zinc/40/04/25/1019400425.db2.gz PUHSVSCOZDAJAA-KKSFZXQISA-N 2 0 324.468 3.792 20 0 DHADRP C[NH+]1C(C)(C)CC(N2CCCC[C@@H]2C[NH+]2CCCC2)CC1(C)C ZINC001171636905 1032835298 /nfs/dbraw/zinc/83/52/98/1032835298.db2.gz JZTMRXNMHHETIT-QGZVFWFLSA-N 2 0 321.553 3.588 20 0 DHADRP Clc1ccnc2c1CCC[C@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568646 1019512250 /nfs/dbraw/zinc/51/22/50/1019512250.db2.gz VMBREIOWTFXZQS-MRXNPFEDSA-N 2 0 312.804 3.550 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]2c2ccccn2)CC1(C)C ZINC001171638151 1032836037 /nfs/dbraw/zinc/83/60/37/1032836037.db2.gz UNRGCWMILUWJIU-KRWDZBQOSA-N 2 0 301.478 3.870 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000163070671 1019560948 /nfs/dbraw/zinc/56/09/48/1019560948.db2.gz JPYFUCBIJCRSDD-KXBFYZLASA-N 2 0 304.478 3.712 20 0 DHADRP Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000107801032 1019563479 /nfs/dbraw/zinc/56/34/79/1019563479.db2.gz AGIUAXGKHCQRCJ-UHFFFAOYSA-N 2 0 310.441 3.668 20 0 DHADRP C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000163314422 1019575390 /nfs/dbraw/zinc/57/53/90/1019575390.db2.gz ULGYQBJONJKXEZ-TYILLQQXSA-N 2 0 304.453 3.769 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000093688548 1019581205 /nfs/dbraw/zinc/58/12/05/1019581205.db2.gz NXDQQJYXPLPZFI-WOJBJXKFSA-N 2 0 300.490 3.844 20 0 DHADRP COc1cc(C)c([C@H](C)[N@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC000682072377 1019613739 /nfs/dbraw/zinc/61/37/39/1019613739.db2.gz JKZWGVPYRYXAQW-INIZCTEOSA-N 2 0 304.478 3.647 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657873428 1019692915 /nfs/dbraw/zinc/69/29/15/1019692915.db2.gz XQSVOWYMUSFWDP-CQSZACIVSA-N 2 0 301.434 3.600 20 0 DHADRP C[C@H](NCCC[NH+]1CCCCC1)c1nc2ccccc2s1 ZINC000021053464 1032848028 /nfs/dbraw/zinc/84/80/28/1032848028.db2.gz FQCRALJARKVQEF-AWEZNQCLSA-N 2 0 303.475 3.823 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000657355160 1019736560 /nfs/dbraw/zinc/73/65/60/1019736560.db2.gz DGYVQJILBOTJGD-INIZCTEOSA-N 2 0 315.486 3.550 20 0 DHADRP COC1([C@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)CCC1 ZINC000657882693 1019738911 /nfs/dbraw/zinc/73/89/11/1019738911.db2.gz UXFHKQLQBNMUPJ-CVEARBPZSA-N 2 0 304.478 3.663 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168708322 1019758314 /nfs/dbraw/zinc/75/83/14/1019758314.db2.gz NVOXUSVBYTWCKT-XIRDDKMYSA-N 2 0 318.892 3.932 20 0 DHADRP c1ccc2cc(OCCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000166857181 1019831597 /nfs/dbraw/zinc/83/15/97/1019831597.db2.gz WXRAVGBZGHDZSR-VQTJNVASSA-N 2 0 324.468 3.825 20 0 DHADRP Cc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685463090 1019841172 /nfs/dbraw/zinc/84/11/72/1019841172.db2.gz CFJOTOFVOFITSM-QGZVFWFLSA-N 2 0 306.881 3.812 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000843048597 1019857160 /nfs/dbraw/zinc/85/71/60/1019857160.db2.gz JOLWOKNGKGFYJJ-LLVKDONJSA-N 2 0 300.418 3.561 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1cc2ccncc2s1 ZINC000657892582 1019873684 /nfs/dbraw/zinc/87/36/84/1019873684.db2.gz CSRNAGZQCCXKIO-GXTWGEPZSA-N 2 0 312.442 3.721 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCS[C@H]2C)CC1 ZINC000647362319 1019875362 /nfs/dbraw/zinc/87/53/62/1019875362.db2.gz ZUPMLWDLWAJZDU-BXWFABGCSA-N 2 0 318.530 3.566 20 0 DHADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000685629506 1019988090 /nfs/dbraw/zinc/98/80/90/1019988090.db2.gz ULOMUNCJKAEALY-PINLSGDHSA-N 2 0 301.821 3.614 20 0 DHADRP COCC(C)(C)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685632333 1019990052 /nfs/dbraw/zinc/99/00/52/1019990052.db2.gz ARFVOZUDLMGCBW-LJQANCHMSA-N 2 0 318.505 3.551 20 0 DHADRP COC1([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCC1 ZINC000657930187 1020007614 /nfs/dbraw/zinc/00/76/14/1020007614.db2.gz BKXJFZBTKHKVRL-AOCRQIFASA-N 2 0 308.510 3.577 20 0 DHADRP COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183934663 1020026225 /nfs/dbraw/zinc/02/62/25/1020026225.db2.gz LQMRUVPQCGSGAJ-HNNXBMFYSA-N 2 0 315.461 3.894 20 0 DHADRP CC(C)C1=[NH+]CCc2ccc(N[C@H]3CCCC[C@@H]3[NH+](C)C)cc21 ZINC001168600904 1020041915 /nfs/dbraw/zinc/04/19/15/1020041915.db2.gz IAWPTNMOOXRYPW-OALUTQOASA-N 2 0 313.489 3.973 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc2ccncc2s1 ZINC000657993902 1020076425 /nfs/dbraw/zinc/07/64/25/1020076425.db2.gz NEUFZAGQVGISAJ-CYBMUJFWSA-N 2 0 315.486 3.821 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000658061817 1020111947 /nfs/dbraw/zinc/11/19/47/1020111947.db2.gz CUQPPQQYMLBQBP-ZHALLVOQSA-N 2 0 315.505 3.818 20 0 DHADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070774 1020129801 /nfs/dbraw/zinc/12/98/01/1020129801.db2.gz QACFEKIWKAKDGR-YVWKXTFCSA-N 2 0 322.537 3.682 20 0 DHADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000657860125 1020133316 /nfs/dbraw/zinc/13/33/16/1020133316.db2.gz BDTDUWWKRMXLJZ-OAHLLOKOSA-N 2 0 322.518 3.507 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658091007 1020134286 /nfs/dbraw/zinc/13/42/86/1020134286.db2.gz OGQFKLZZHITHHG-POAQFYNOSA-N 2 0 322.537 3.824 20 0 DHADRP COCCC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096499 1020141262 /nfs/dbraw/zinc/14/12/62/1020141262.db2.gz QLCPDSYPCVLIRD-ZWKOTPCHSA-N 2 0 322.468 3.756 20 0 DHADRP Cc1ccncc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658126242 1020175571 /nfs/dbraw/zinc/17/55/71/1020175571.db2.gz LMMYHOFQQTUFMQ-OXQOHEQNSA-N 2 0 315.505 3.565 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000658166385 1020200744 /nfs/dbraw/zinc/20/07/44/1020200744.db2.gz UTLHDZCTDKEERW-FQEVSTJZSA-N 2 0 315.505 3.852 20 0 DHADRP CCOc1cccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c1 ZINC000390555093 1020207223 /nfs/dbraw/zinc/20/72/23/1020207223.db2.gz GQHCJNNTGNKMMW-HXUWFJFHSA-N 2 0 324.468 3.840 20 0 DHADRP Cc1cnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000922740139 1020241328 /nfs/dbraw/zinc/24/13/28/1020241328.db2.gz CONDNDGWFRAIMZ-UYAOXDASSA-N 2 0 323.484 3.841 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000658253416 1020267355 /nfs/dbraw/zinc/26/73/55/1020267355.db2.gz MIQRYNQJMUGGFV-DLBZAZTESA-N 2 0 322.537 3.965 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658255127 1020269438 /nfs/dbraw/zinc/26/94/38/1020269438.db2.gz SIYWGLKZLIMMMN-SJJHQCBESA-N 2 0 308.510 3.575 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccco1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658328713 1020292228 /nfs/dbraw/zinc/29/22/28/1020292228.db2.gz YRTLQLVBGYRBSG-MRXNPFEDSA-N 2 0 316.445 3.503 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000922846368 1020305611 /nfs/dbraw/zinc/30/56/11/1020305611.db2.gz YTXFEXUAJABIAW-UHFFFAOYSA-N 2 0 305.491 3.517 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC001168357869 1032891122 /nfs/dbraw/zinc/89/11/22/1032891122.db2.gz IPHGGOMKTLPGTC-FQEVSTJZSA-N 2 0 314.473 3.610 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccnc3CC2)c1 ZINC000421827470 1020318023 /nfs/dbraw/zinc/31/80/23/1020318023.db2.gz XUXNNDOJSCQMSI-HXUWFJFHSA-N 2 0 323.484 3.571 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000658357125 1020323291 /nfs/dbraw/zinc/32/32/91/1020323291.db2.gz RIKRLGSTASYQJJ-IBGZPJMESA-N 2 0 302.437 3.525 20 0 DHADRP Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000338675363 1020381414 /nfs/dbraw/zinc/38/14/14/1020381414.db2.gz UDTVYZFATRZEME-HNNXBMFYSA-N 2 0 313.420 3.604 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000655805213 1020399515 /nfs/dbraw/zinc/39/95/15/1020399515.db2.gz KWFJSTDDLBQCRL-GMBSWORKSA-N 2 0 304.453 3.987 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000655847908 1020422012 /nfs/dbraw/zinc/42/20/12/1020422012.db2.gz FRMJLDHBKRRSAJ-YESZJQIVSA-N 2 0 302.487 3.830 20 0 DHADRP CCC[C@H](C)CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000625275978 1020445037 /nfs/dbraw/zinc/44/50/37/1020445037.db2.gz KSZMKEPEDKWPQZ-IBGZPJMESA-N 2 0 323.569 3.693 20 0 DHADRP C[C@@H](C[NH2+][C@H](CCC1CCCC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000565970433 1032905859 /nfs/dbraw/zinc/90/58/59/1032905859.db2.gz BKJAMEZGYKGJHR-PKOBYXMFSA-N 2 0 323.569 3.597 20 0 DHADRP C[C@H](C[NH2+]CCCCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000843128462 1020509519 /nfs/dbraw/zinc/50/95/19/1020509519.db2.gz JVYPHYATMHCRCX-CYBMUJFWSA-N 2 0 302.384 3.918 20 0 DHADRP Cc1ccc(CC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001116541113 1020535209 /nfs/dbraw/zinc/53/52/09/1020535209.db2.gz YKELGMGDYSKDCG-HXUWFJFHSA-N 2 0 300.490 3.734 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628278517 1020560735 /nfs/dbraw/zinc/56/07/35/1020560735.db2.gz TTZKBLDNEWPBSG-OAHLLOKOSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C(C)(C)CC[NH+](C)C ZINC001171961349 1032928512 /nfs/dbraw/zinc/92/85/12/1032928512.db2.gz WHJZLCWNVUBMCV-CYBMUJFWSA-N 2 0 316.411 3.956 20 0 DHADRP CC[C@H]1CCCC[C@H]1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000628336729 1020765960 /nfs/dbraw/zinc/76/59/60/1020765960.db2.gz OCJSJQYMJZEECR-OALUTQOASA-N 2 0 322.537 3.683 20 0 DHADRP CC[C@@H]1C[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647497829 1020768281 /nfs/dbraw/zinc/76/82/81/1020768281.db2.gz WTWPNXWAYFSLEX-ZENOOKHLSA-N 2 0 314.395 3.868 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498349 1020778367 /nfs/dbraw/zinc/77/83/67/1020778367.db2.gz FSDQHPSPUJDJAW-QUCCMNQESA-N 2 0 324.468 3.825 20 0 DHADRP CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000647498942 1020780003 /nfs/dbraw/zinc/78/00/03/1020780003.db2.gz UJYLDHWFDOSRDZ-GUYCJALGSA-N 2 0 302.393 3.645 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414072387 1020848312 /nfs/dbraw/zinc/84/83/12/1020848312.db2.gz MMKDIBVWQYNPHT-HFTRVMKXSA-N 2 0 306.881 3.908 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000613262392 1020877083 /nfs/dbraw/zinc/87/70/83/1020877083.db2.gz FQCLNNZTZPRRBI-LJQANCHMSA-N 2 0 323.484 3.886 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000173231535 1020905398 /nfs/dbraw/zinc/90/53/98/1020905398.db2.gz FFLYLCXKODLINZ-LJQANCHMSA-N 2 0 302.462 3.537 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000739927026 1020925382 /nfs/dbraw/zinc/92/53/82/1020925382.db2.gz RJDGKYJMPSQDEB-HXUWFJFHSA-N 2 0 300.490 3.803 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c(C)c1 ZINC000414152874 1020944739 /nfs/dbraw/zinc/94/47/39/1020944739.db2.gz XMCSGNFDOTXLSN-QGZVFWFLSA-N 2 0 304.478 3.920 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000668818307 1020959666 /nfs/dbraw/zinc/95/96/66/1020959666.db2.gz GIUKJKXHEZKGKR-XLIONFOSSA-N 2 0 300.490 3.577 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414188237 1020974796 /nfs/dbraw/zinc/97/47/96/1020974796.db2.gz QHHCCYWUZODJHC-HNNXBMFYSA-N 2 0 309.413 3.972 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414190524 1020979727 /nfs/dbraw/zinc/97/97/27/1020979727.db2.gz RUWSVUAEJWDXIC-DLBZAZTESA-N 2 0 304.478 3.856 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000414190736 1020980363 /nfs/dbraw/zinc/98/03/63/1020980363.db2.gz SBGSWAWQAKKIQE-CJNGLKHVSA-N 2 0 308.466 3.684 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)[C@@H](C)C1 ZINC000414192737 1020980826 /nfs/dbraw/zinc/98/08/26/1020980826.db2.gz MJDJLRNBRFKFFT-FFGOWVMKSA-N 2 0 322.537 3.539 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414200284 1020988421 /nfs/dbraw/zinc/98/84/21/1020988421.db2.gz XRONJTIYBAEADI-UONOGXRCSA-N 2 0 310.869 3.731 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CC2(c3c(F)cccc3F)CCC2)CC1 ZINC000414230706 1021016884 /nfs/dbraw/zinc/01/68/84/1021016884.db2.gz GNELJZDBUOJPAD-UHFFFAOYSA-N 2 0 322.443 3.849 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CS1 ZINC000414234059 1021017627 /nfs/dbraw/zinc/01/76/27/1021017627.db2.gz SFYAUYAFMPTRHQ-FTWQHDNSSA-N 2 0 316.514 3.666 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000414240583 1021024147 /nfs/dbraw/zinc/02/41/47/1021024147.db2.gz NNSCCXOROXWHFJ-FVCZOJIISA-N 2 0 322.537 3.823 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000892584058 1021035397 /nfs/dbraw/zinc/03/53/97/1021035397.db2.gz HBHIIEUFRDQYGY-INIZCTEOSA-N 2 0 320.525 3.683 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000414343628 1021113040 /nfs/dbraw/zinc/11/30/40/1021113040.db2.gz QXIBUTUSGYCEHT-SJLPKXTDSA-N 2 0 324.553 3.806 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2cccnc12 ZINC000647543590 1021149150 /nfs/dbraw/zinc/14/91/50/1021149150.db2.gz PXAIPDTXXBVCHV-UXHICEINSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553328 1021159902 /nfs/dbraw/zinc/15/99/02/1021159902.db2.gz SDNNNKIYTWVAOR-ZDUSSCGKSA-N 2 0 322.374 3.885 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC[NH2+]1 ZINC000423369737 1021188329 /nfs/dbraw/zinc/18/83/29/1021188329.db2.gz GFBZYMUJPGCHAV-DIOULYMOSA-N 2 0 323.278 3.557 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423395939 1021194881 /nfs/dbraw/zinc/19/48/81/1021194881.db2.gz SAXWEIIATMTQIG-BZUAXINKSA-N 2 0 323.278 3.760 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000537971954 1032967360 /nfs/dbraw/zinc/96/73/60/1032967360.db2.gz ODNGHNJMUBWZFZ-CEXWTWQISA-N 2 0 318.505 3.843 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000423474746 1021254151 /nfs/dbraw/zinc/25/41/51/1021254151.db2.gz IMHWJMZGOXBLRD-PMACEKPBSA-N 2 0 309.457 3.502 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)[C@H](C)C1 ZINC000090956488 1021256864 /nfs/dbraw/zinc/25/68/64/1021256864.db2.gz BJSSOVVLZXTICJ-CXAGYDPISA-N 2 0 324.871 3.831 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090941069 1021257243 /nfs/dbraw/zinc/25/72/43/1021257243.db2.gz FBQAHQIPHNBCND-CPUCHLNUSA-N 2 0 306.881 3.690 20 0 DHADRP CC(C)(O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977213 1032964100 /nfs/dbraw/zinc/96/41/00/1032964100.db2.gz YXFMMAHCZWQXOV-SFHVURJKSA-N 2 0 318.505 3.570 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000091311201 1021276671 /nfs/dbraw/zinc/27/66/71/1021276671.db2.gz GZJSAOINMRYRAC-HLIPFELVSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171980028 1032965398 /nfs/dbraw/zinc/96/53/98/1032965398.db2.gz OKAVMRJKAFWTJH-NZSAHSFTSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000850035783 1021398969 /nfs/dbraw/zinc/39/89/69/1021398969.db2.gz CHNMIIQFKJVOBX-UHFFFAOYSA-N 2 0 303.475 3.649 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000572546968 1021499013 /nfs/dbraw/zinc/49/90/13/1021499013.db2.gz UFNUVJYXYNNAAF-KSSFIOAISA-N 2 0 306.881 3.593 20 0 DHADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000850431024 1021528194 /nfs/dbraw/zinc/52/81/94/1021528194.db2.gz RVIRYWKPEDVDOO-QGZVFWFLSA-N 2 0 310.551 3.906 20 0 DHADRP CC(C)OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064087 1032987393 /nfs/dbraw/zinc/98/73/93/1032987393.db2.gz FNOBBIBLUBUWDH-ACDBMABISA-N 2 0 316.489 3.587 20 0 DHADRP c1ccn(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172062263 1032987980 /nfs/dbraw/zinc/98/79/80/1032987980.db2.gz LMVREYFPUWKFKX-MZADTFQBSA-N 2 0 323.484 3.663 20 0 DHADRP CCCCCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483858 1021559357 /nfs/dbraw/zinc/55/93/57/1021559357.db2.gz WUTQZWBTXNPTDC-KRWDZBQOSA-N 2 0 310.526 3.826 20 0 DHADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093336949 1021563467 /nfs/dbraw/zinc/56/34/67/1021563467.db2.gz OMSITRHPFHNUNE-HXUWFJFHSA-N 2 0 324.468 3.649 20 0 DHADRP CCCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850517243 1021573559 /nfs/dbraw/zinc/57/35/59/1021573559.db2.gz WZXAPLSRGGADLR-KRWDZBQOSA-N 2 0 303.494 3.852 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000070171892 1021575887 /nfs/dbraw/zinc/57/58/87/1021575887.db2.gz VXTIZHDZRYJAHI-YPMHNXCESA-N 2 0 318.408 3.858 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000037209289 1021661317 /nfs/dbraw/zinc/66/13/17/1021661317.db2.gz YGAIWKPLQOJYKZ-GFCCVEGCSA-N 2 0 300.368 3.525 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000093742299 1021665331 /nfs/dbraw/zinc/66/53/31/1021665331.db2.gz XRWSVALKVLAKGC-IBGZPJMESA-N 2 0 323.484 3.912 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCSc3ccccc3C1)C2 ZINC001172131092 1032999667 /nfs/dbraw/zinc/99/96/67/1032999667.db2.gz UQWAVLOHLOPSGG-BJWYYQGGSA-N 2 0 302.487 3.610 20 0 DHADRP Cc1ccc2c(CC[NH3+])cn([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2c1 ZINC001172104369 1033004075 /nfs/dbraw/zinc/00/40/75/1033004075.db2.gz FEEPPPZWVKKMBJ-PIIMJCKOSA-N 2 0 311.473 3.639 20 0 DHADRP Cc1ccc(N2CCC([NH2+]C[C@@H](C)Cc3ccccc3)CC2)nc1 ZINC000152685882 1021801054 /nfs/dbraw/zinc/80/10/54/1021801054.db2.gz RAHWRIRKESMURJ-SFHVURJKSA-N 2 0 323.484 3.827 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000261985583 1021864101 /nfs/dbraw/zinc/86/41/01/1021864101.db2.gz SDWJDAXJEPSKCU-LBPRGKRZSA-N 2 0 319.836 3.554 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000619774737 1021887263 /nfs/dbraw/zinc/88/72/63/1021887263.db2.gz YRQNZGRAYNNSJV-AEFFLSMTSA-N 2 0 304.478 3.543 20 0 DHADRP CC[NH2+]CC1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000262110802 1021906003 /nfs/dbraw/zinc/90/60/03/1021906003.db2.gz JROILXFFNAUQDX-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000556871406 1021910495 /nfs/dbraw/zinc/91/04/95/1021910495.db2.gz LZYIMHRIMSXJNT-HKBOAZHASA-N 2 0 321.468 3.711 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000556871403 1021912367 /nfs/dbraw/zinc/91/23/67/1021912367.db2.gz LZYIMHRIMSXJNT-ACRUOGEOSA-N 2 0 321.468 3.711 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000556872482 1021915339 /nfs/dbraw/zinc/91/53/39/1021915339.db2.gz XTLNIPTVYJFLIM-CWRNSKLLSA-N 2 0 312.379 3.668 20 0 DHADRP Cc1ccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172112515 1033015347 /nfs/dbraw/zinc/01/53/47/1033015347.db2.gz WTKNJSAMXGDPAW-ACDBMABISA-N 2 0 312.501 3.923 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@H]21 ZINC000556880758 1021921994 /nfs/dbraw/zinc/92/19/94/1021921994.db2.gz SMZZPMUQNJJISF-DSLXNQLJSA-N 2 0 302.437 3.666 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1C ZINC000556879431 1021923290 /nfs/dbraw/zinc/92/32/90/1021923290.db2.gz UCTVDQBGXILRIE-OTWHNJEPSA-N 2 0 316.489 3.535 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CC1)C2 ZINC001172115864 1033016988 /nfs/dbraw/zinc/01/69/88/1033016988.db2.gz FSLZSQWIZYCGDT-YYAJDYIMSA-N 2 0 302.437 3.882 20 0 DHADRP Cc1cccc(Cl)c1C(=[NH2+])N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114746 1033019613 /nfs/dbraw/zinc/01/96/13/1033019613.db2.gz SUHBVEHNNJJCKO-BTTYYORXSA-N 2 0 305.853 3.579 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cscc1Br ZINC000395712314 1021997298 /nfs/dbraw/zinc/99/72/98/1021997298.db2.gz DEIMKSSNJYAFDW-UHFFFAOYSA-N 2 0 319.312 3.721 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192615435 1022015860 /nfs/dbraw/zinc/01/58/60/1022015860.db2.gz VSUAOTHMTXIHLL-QFBILLFUSA-N 2 0 301.478 3.788 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000387211241 1022057668 /nfs/dbraw/zinc/05/76/68/1022057668.db2.gz KWMRHDOUMUNVAV-STQMWFEESA-N 2 0 312.404 3.669 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccc(F)cc1)C2 ZINC001172119765 1033026700 /nfs/dbraw/zinc/02/67/00/1033026700.db2.gz HVNKLAGOAMTHQA-RDGPPVDQSA-N 2 0 302.437 3.978 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2)C(C)C ZINC000766384143 1022085238 /nfs/dbraw/zinc/08/52/38/1022085238.db2.gz GVVMGMMIJUATAG-INIZCTEOSA-N 2 0 304.478 3.781 20 0 DHADRP C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)C1CC[NH+](C)CC1 ZINC000396444771 1022101127 /nfs/dbraw/zinc/10/11/27/1022101127.db2.gz CSIDHONDKKRMTL-GFCCVEGCSA-N 2 0 306.837 3.906 20 0 DHADRP C[C@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205994357 1022154241 /nfs/dbraw/zinc/15/42/41/1022154241.db2.gz LCTQNNOMGDANTN-WCQYABFASA-N 2 0 318.358 3.651 20 0 DHADRP CCCC[NH+](CCCC)CCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001167732339 1022172349 /nfs/dbraw/zinc/17/23/49/1022172349.db2.gz YIWJZBWTUNBDSM-SFHVURJKSA-N 2 0 318.509 3.820 20 0 DHADRP C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001205996609 1022222401 /nfs/dbraw/zinc/22/24/01/1022222401.db2.gz XVBDGXFZILGABA-RYUDHWBXSA-N 2 0 301.261 3.800 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001205996607 1022222995 /nfs/dbraw/zinc/22/29/95/1022222995.db2.gz XVBDGXFZILGABA-NEPJUHHUSA-N 2 0 301.261 3.800 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001169062783 1022236689 /nfs/dbraw/zinc/23/66/89/1022236689.db2.gz VNBLZDRCSSUPAT-LJQANCHMSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCc2c(F)cc(F)cc21)C1CC[NH+](C)CC1 ZINC000651357682 1022238599 /nfs/dbraw/zinc/23/85/99/1022238599.db2.gz SAAKCRFICILPTM-KZULUSFZSA-N 2 0 308.416 3.662 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)C2 ZINC001169093904 1022244910 /nfs/dbraw/zinc/24/49/10/1022244910.db2.gz JSGMIDZNYKFHSZ-QKDCVEJESA-N 2 0 313.272 3.751 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101307 1022246939 /nfs/dbraw/zinc/24/69/39/1022246939.db2.gz RAIKZWQIFGYREG-OKYOBFRVSA-N 2 0 302.437 3.882 20 0 DHADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169085592 1022253864 /nfs/dbraw/zinc/25/38/64/1022253864.db2.gz OZOJUHXOEGUDMV-HSALFYBXSA-N 2 0 300.490 3.527 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCSCc1ccccc1Cl)C2 ZINC001169090340 1022255136 /nfs/dbraw/zinc/25/51/36/1022255136.db2.gz JMCZSASSLNXURR-MUJYYYPQSA-N 2 0 324.921 3.788 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3c(Cl)cccc31)C2 ZINC001169122541 1022259130 /nfs/dbraw/zinc/25/91/30/1022259130.db2.gz AFSOURLLDPKZSC-ZUMXRPEOSA-N 2 0 304.865 3.932 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3c(F)cc(F)cc31)C2 ZINC001169125313 1022260177 /nfs/dbraw/zinc/26/01/77/1022260177.db2.gz YSUGAISKEZYFIX-ZUMXRPEOSA-N 2 0 306.400 3.557 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3ccc(F)cc3)CC1)C2 ZINC001169139713 1022266515 /nfs/dbraw/zinc/26/65/15/1022266515.db2.gz DYWPXALGRRHRSC-BWTSREIZSA-N 2 0 302.437 3.630 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(CCc3ccccc3)CC1)C2 ZINC001169140963 1022272724 /nfs/dbraw/zinc/27/27/24/1022272724.db2.gz NHWGOUJJFSXGMG-WKCHPHFGSA-N 2 0 312.501 3.956 20 0 DHADRP Cc1c[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169143700 1022275422 /nfs/dbraw/zinc/27/54/22/1022275422.db2.gz QESWHKPKGWGMJD-SCLBCKFNSA-N 2 0 300.450 3.827 20 0 DHADRP Cc1cc2[nH+]ccn2cc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142490 1022275510 /nfs/dbraw/zinc/27/55/10/1022275510.db2.gz GYVMPXTWJDELRC-KBXCAEBGSA-N 2 0 300.450 3.598 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172204467 1033039836 /nfs/dbraw/zinc/03/98/36/1033039836.db2.gz PNPVIPGNBKNHJN-GOSISDBHSA-N 2 0 318.530 3.805 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000651384587 1022328884 /nfs/dbraw/zinc/32/88/84/1022328884.db2.gz PVNSFIZVDQRSBU-VDGAXYAQSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000651384584 1022329447 /nfs/dbraw/zinc/32/94/47/1022329447.db2.gz PVNSFIZVDQRSBU-DBVUQKKJSA-N 2 0 300.490 3.890 20 0 DHADRP c1cc2ccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000310077760 1022362061 /nfs/dbraw/zinc/36/20/61/1022362061.db2.gz HFZLBTIQBBMGOU-IBGZPJMESA-N 2 0 319.452 3.780 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654328 1022384002 /nfs/dbraw/zinc/38/40/02/1022384002.db2.gz GVPYGESNVFFOMU-WBVHZDCISA-N 2 0 306.881 3.648 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000268883708 1022385639 /nfs/dbraw/zinc/38/56/39/1022385639.db2.gz YGLCEASINYUILE-CABCVRRESA-N 2 0 322.518 3.800 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000268899308 1022385972 /nfs/dbraw/zinc/38/59/72/1022385972.db2.gz OHPFPJLEMUGJGZ-YQVWRLOYSA-N 2 0 318.505 3.833 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000620878572 1022388436 /nfs/dbraw/zinc/38/84/36/1022388436.db2.gz HJDKTAINIBHPSY-UHFFFAOYSA-N 2 0 318.505 3.827 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000271446715 1022471526 /nfs/dbraw/zinc/47/15/26/1022471526.db2.gz HLYUZTWANJHVGO-QGZVFWFLSA-N 2 0 320.477 3.617 20 0 DHADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000271829933 1022484751 /nfs/dbraw/zinc/48/47/51/1022484751.db2.gz DUYPJLFGKABDMZ-MRXNPFEDSA-N 2 0 323.278 3.752 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CSc2ccccc2C1 ZINC001172197663 1033057730 /nfs/dbraw/zinc/05/77/30/1033057730.db2.gz MHMGVAMUJBTBGV-ULQDDVLXSA-N 2 0 304.503 3.684 20 0 DHADRP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)C1CCOCC1 ZINC000156712551 1022489326 /nfs/dbraw/zinc/48/93/26/1022489326.db2.gz BOKOLDURSXHZPU-QGZVFWFLSA-N 2 0 308.510 3.580 20 0 DHADRP c1ccc2c(c1)C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CS2 ZINC001172197808 1033057855 /nfs/dbraw/zinc/05/78/55/1033057855.db2.gz QKNMXCPNRWTXQE-QGZVFWFLSA-N 2 0 304.503 3.559 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc2c1CC[C@@H]2[NH3+] ZINC001169691773 1022504084 /nfs/dbraw/zinc/50/40/84/1022504084.db2.gz QQGAMENHBUPETF-ROUUACIJSA-N 2 0 307.441 3.873 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc2c1CC[C@H]2[NH3+] ZINC001169691774 1022504133 /nfs/dbraw/zinc/50/41/33/1022504133.db2.gz QQGAMENHBUPETF-ZWKOTPCHSA-N 2 0 307.441 3.873 20 0 DHADRP Cc1csc(CCCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925567820 1022533442 /nfs/dbraw/zinc/53/34/42/1022533442.db2.gz QFECUYPFYGZOKX-IAGOWNOFSA-N 2 0 321.534 3.532 20 0 DHADRP Cc1ccc(C[NH+](C)CCCC[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000157325256 1022543463 /nfs/dbraw/zinc/54/34/63/1022543463.db2.gz VYHIXAIUELERMM-UHFFFAOYSA-N 2 0 304.434 3.833 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000157910339 1022586097 /nfs/dbraw/zinc/58/60/97/1022586097.db2.gz NUMNGAUHBLHQKE-CVEARBPZSA-N 2 0 318.461 3.578 20 0 DHADRP Cc1ncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000158978686 1022679243 /nfs/dbraw/zinc/67/92/43/1022679243.db2.gz APIOYYLYAGQZEZ-HNNXBMFYSA-N 2 0 321.534 3.928 20 0 DHADRP CSC1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC[NH+](C)CC1 ZINC000417325417 1022682926 /nfs/dbraw/zinc/68/29/26/1022682926.db2.gz BZKGJIUOSSOHMA-QLFBSQMISA-N 2 0 324.559 3.657 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000584826494 1022780229 /nfs/dbraw/zinc/78/02/29/1022780229.db2.gz PATXDKPIXKTQFG-ZIAGYGMSSA-N 2 0 310.869 3.731 20 0 DHADRP COC1(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CCC1 ZINC000338997498 1022842448 /nfs/dbraw/zinc/84/24/48/1022842448.db2.gz NIQKNOJGVLSXIT-MSOLQXFVSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621734503 1022843542 /nfs/dbraw/zinc/84/35/42/1022843542.db2.gz OOPSTOBHBSCYEL-IIAWOOMASA-N 2 0 300.437 3.664 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621733829 1022845606 /nfs/dbraw/zinc/84/56/06/1022845606.db2.gz YSIGJVZCEXLIBL-DOTOQJQBSA-N 2 0 322.443 3.717 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414908361 1022905031 /nfs/dbraw/zinc/90/50/31/1022905031.db2.gz BGVFNFUYSKTPDX-GHMZBOCLSA-N 2 0 306.759 3.718 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000414923619 1022913320 /nfs/dbraw/zinc/91/33/20/1022913320.db2.gz ISSPVCNEACVWSC-CVEARBPZSA-N 2 0 314.395 3.888 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000163597819 1022921139 /nfs/dbraw/zinc/92/11/39/1022921139.db2.gz AELDDCVIQBQFCJ-QGZVFWFLSA-N 2 0 320.525 3.873 20 0 DHADRP CCCCCOc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000414929633 1022927353 /nfs/dbraw/zinc/92/73/53/1022927353.db2.gz RWARYYMXBKNETO-IAGOWNOFSA-N 2 0 320.477 3.624 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414929723 1022929708 /nfs/dbraw/zinc/92/97/08/1022929708.db2.gz RYYGQFMPXDRRAB-KCXAZCMYSA-N 2 0 314.395 3.886 20 0 DHADRP COC1CCC(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925647967 1022947207 /nfs/dbraw/zinc/94/72/07/1022947207.db2.gz KZYTYPQERJIXDS-KVZIAJEVSA-N 2 0 304.478 3.652 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000164830925 1022962102 /nfs/dbraw/zinc/96/21/02/1022962102.db2.gz VRKNWARYJKCFGU-TZMCWYRMSA-N 2 0 312.860 3.829 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295898688 1023002527 /nfs/dbraw/zinc/00/25/27/1023002527.db2.gz IHQRBHZNJHLHON-CCNLRDMRSA-N 2 0 302.462 3.750 20 0 DHADRP CCOc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000651489558 1023033983 /nfs/dbraw/zinc/03/39/83/1023033983.db2.gz AFLDRHAFDAUXHD-KRWDZBQOSA-N 2 0 318.505 3.726 20 0 DHADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000651489826 1023035627 /nfs/dbraw/zinc/03/56/27/1023035627.db2.gz LYJYIUDBJRERGS-DLBZAZTESA-N 2 0 318.505 3.584 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccnc(F)c2)CC1)CC1CC1 ZINC000859226833 1033106635 /nfs/dbraw/zinc/10/66/35/1033106635.db2.gz WODLUVPKERIVBP-UHFFFAOYSA-N 2 0 319.468 3.555 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000769873980 1023236109 /nfs/dbraw/zinc/23/61/09/1023236109.db2.gz RUCPBXJNGKUSGH-HNNXBMFYSA-N 2 0 321.509 3.954 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC=CC3)C2)s1 ZINC000660497465 1023282539 /nfs/dbraw/zinc/28/25/39/1023282539.db2.gz NOYMMLKKZXKFBW-KRWDZBQOSA-N 2 0 304.503 3.776 20 0 DHADRP FC1(F)CC12CCC([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC2 ZINC000925710647 1023321425 /nfs/dbraw/zinc/32/14/25/1023321425.db2.gz XIJDIBIGKIVQEI-YZUHTNEWSA-N 2 0 312.448 3.712 20 0 DHADRP c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000660678630 1023376118 /nfs/dbraw/zinc/37/61/18/1023376118.db2.gz XDYRZFIQPRXXNS-OAQYLSRUSA-N 2 0 306.453 3.928 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925718423 1023405238 /nfs/dbraw/zinc/40/52/38/1023405238.db2.gz IQRAODGDQKIGGT-BZSNNMDCSA-N 2 0 308.510 3.625 20 0 DHADRP CCC1(CC)CCC([NH2+]C2CC[NH+](CCCOC)CC2)CC1 ZINC000651695629 1023472065 /nfs/dbraw/zinc/47/20/65/1023472065.db2.gz RGHSGLWNTKKKKC-UHFFFAOYSA-N 2 0 310.526 3.826 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172353543 1033137649 /nfs/dbraw/zinc/13/76/49/1033137649.db2.gz NOTQGZXEEMDFIQ-YDZRNGNQSA-N 2 0 310.526 3.919 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000772463425 1023557460 /nfs/dbraw/zinc/55/74/60/1023557460.db2.gz XPZVIQYPTHOGHG-WWDZGPRUSA-N 2 0 301.478 3.838 20 0 DHADRP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)cc1 ZINC001172366870 1033146794 /nfs/dbraw/zinc/14/67/94/1033146794.db2.gz IFNIQAIJBNLBFI-JFIYKMOQSA-N 2 0 316.489 3.770 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3F)CCC2)[C@H](C)C1 ZINC000651863949 1023599764 /nfs/dbraw/zinc/59/97/64/1023599764.db2.gz CFDNKJLWMXSIGQ-CRAIPNDOSA-N 2 0 304.453 3.567 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)C[C@@H]1C ZINC001172368504 1033148463 /nfs/dbraw/zinc/14/84/63/1033148463.db2.gz ITPBBRJPWACPOL-AOIWGVFYSA-N 2 0 300.490 3.847 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C[C@@H]1C ZINC001172371623 1033150797 /nfs/dbraw/zinc/15/07/97/1033150797.db2.gz VNVAUNLCICZAAG-GJYPPUQNSA-N 2 0 318.480 3.986 20 0 DHADRP CC1(C)Cc2cc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)ccc2O1 ZINC000236739291 1023683492 /nfs/dbraw/zinc/68/34/92/1023683492.db2.gz VLILFMBZUGSTLT-UHFFFAOYSA-N 2 0 316.489 3.799 20 0 DHADRP C[C@H](CC[N@@H+]1CCC[C@@H](CCF)C1)[NH+]1CCC[C@H](CCF)C1 ZINC000661690249 1023687752 /nfs/dbraw/zinc/68/77/52/1023687752.db2.gz KTKWRGRNJNWMNB-FGTMMUONSA-N 2 0 316.480 3.908 20 0 DHADRP CC[C@H]([NH2+]CCC[N@H+](CC)C1CCCCC1)C1CCOCC1 ZINC000652237681 1023707112 /nfs/dbraw/zinc/70/71/12/1023707112.db2.gz ZQJCXWOIXHUWRN-IBGZPJMESA-N 2 0 310.526 3.826 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000652222028 1023707655 /nfs/dbraw/zinc/70/76/55/1023707655.db2.gz CYGOLXNFVHBRDZ-QUCCMNQESA-N 2 0 318.505 3.722 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000652241283 1023712252 /nfs/dbraw/zinc/71/22/52/1023712252.db2.gz BYOACNSMRKPYSL-KCITZHQASA-N 2 0 315.505 3.706 20 0 DHADRP CCOCC[C@@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001172407200 1033156061 /nfs/dbraw/zinc/15/60/61/1033156061.db2.gz UIMCEWSGLIWMTH-GOSISDBHSA-N 2 0 318.505 3.693 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000661851169 1023778197 /nfs/dbraw/zinc/77/81/97/1023778197.db2.gz RKALWZIXRMJZCL-MSOLQXFVSA-N 2 0 316.489 3.672 20 0 DHADRP CCOCC[C@@H](C)[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172421939 1033161553 /nfs/dbraw/zinc/16/15/53/1033161553.db2.gz QRVYGNIBZUUFCU-MISYRCLQSA-N 2 0 318.505 3.882 20 0 DHADRP CC(C)CCC[C@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170072233 1023789451 /nfs/dbraw/zinc/78/94/51/1023789451.db2.gz ZNHXNFOBCZVTNF-BZSNNMDCSA-N 2 0 310.526 3.952 20 0 DHADRP Clc1cccc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168359612 1033167856 /nfs/dbraw/zinc/16/78/56/1033167856.db2.gz CSHNIUOGZGEYSS-UHFFFAOYSA-N 2 0 306.881 3.737 20 0 DHADRP CCOCC[C@H](C)[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001172429387 1033167996 /nfs/dbraw/zinc/16/79/96/1033167996.db2.gz XMZFYOXXTFGCOH-SFHVURJKSA-N 2 0 318.505 3.788 20 0 DHADRP C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC2CC[NH+](C)CC2)C2CC2)o1 ZINC000788470558 1023889808 /nfs/dbraw/zinc/88/98/08/1023889808.db2.gz KEGAGMVSLQDSPW-RDTXWAMCSA-N 2 0 302.462 3.709 20 0 DHADRP COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000246009613 1023897114 /nfs/dbraw/zinc/89/71/14/1023897114.db2.gz YELHUESBWIOLEO-ROUUACIJSA-N 2 0 316.489 3.607 20 0 DHADRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC001170088698 1023928122 /nfs/dbraw/zinc/92/81/22/1023928122.db2.gz YCJHICADSVOAOH-MJGOQNOKSA-N 2 0 310.526 3.776 20 0 DHADRP COC1CC[NH+](C2CC[NH+]([C@H](C)CCCC(C)C)CC2)CC1 ZINC001170089691 1023938624 /nfs/dbraw/zinc/93/86/24/1023938624.db2.gz AQPQUKGYDOINPU-QGZVFWFLSA-N 2 0 310.526 3.776 20 0 DHADRP C=Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cn1 ZINC000194274185 1023995090 /nfs/dbraw/zinc/99/50/90/1023995090.db2.gz NZKOZAAHXGFWTJ-UHFFFAOYSA-N 2 0 324.472 3.649 20 0 DHADRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(O)c1 ZINC000194956614 1024020435 /nfs/dbraw/zinc/02/04/35/1024020435.db2.gz XEOYHDNJFSZIPQ-BFYDXBDKSA-N 2 0 302.462 3.696 20 0 DHADRP c1ccc([C@H]2CSCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248848 1024029659 /nfs/dbraw/zinc/02/96/59/1024029659.db2.gz KXAAOWZAGYJRFZ-HXUWFJFHSA-N 2 0 324.493 3.622 20 0 DHADRP c1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCS2)cc1 ZINC000662255497 1024037525 /nfs/dbraw/zinc/03/75/25/1024037525.db2.gz QCOWWJWXBDQINW-FQEVSTJZSA-N 2 0 324.493 3.622 20 0 DHADRP c1ccc2c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccnc2c1 ZINC000538798181 1033183190 /nfs/dbraw/zinc/18/31/90/1033183190.db2.gz QZXXDDKZQRGMGA-LAUBAEHRSA-N 2 0 321.468 3.684 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001172399731 1033183799 /nfs/dbraw/zinc/18/37/99/1033183799.db2.gz LKQGQMKZPQJSFI-GOSISDBHSA-N 2 0 318.505 3.856 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(OC)cc1 ZINC000662280128 1024056578 /nfs/dbraw/zinc/05/65/78/1024056578.db2.gz CTAVQMZVUAGGBC-HXUWFJFHSA-N 2 0 310.441 3.582 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001172399643 1033184547 /nfs/dbraw/zinc/18/45/47/1033184547.db2.gz KMBLLJQUNSOCLW-QGZVFWFLSA-N 2 0 304.478 3.770 20 0 DHADRP CSc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290988 1024071210 /nfs/dbraw/zinc/07/12/10/1024071210.db2.gz AUWGMWWOGOYNFY-MRXNPFEDSA-N 2 0 304.503 3.620 20 0 DHADRP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298407 1024080373 /nfs/dbraw/zinc/08/03/73/1024080373.db2.gz WAMSEBTVXZCNJB-DZGCQCFKSA-N 2 0 308.416 3.737 20 0 DHADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)CCCC[NH3+])CCCC2 ZINC000925765036 1024128611 /nfs/dbraw/zinc/12/86/11/1024128611.db2.gz CTOHJMLZBHXYMZ-PBHICJAKSA-N 2 0 320.477 3.578 20 0 DHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)COC2 ZINC000268733465 1024150289 /nfs/dbraw/zinc/15/02/89/1024150289.db2.gz NDKNBARQOXNUIX-JKSUJKDBSA-N 2 0 302.462 3.632 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268759011 1024152349 /nfs/dbraw/zinc/15/23/49/1024152349.db2.gz ZMFPUXNMOHBAKN-HZPDHXFCSA-N 2 0 304.478 3.878 20 0 DHADRP COCc1c(C)cc(C)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1C ZINC000882881080 1024155438 /nfs/dbraw/zinc/15/54/38/1024155438.db2.gz XHCSYJBGZILPBU-UHFFFAOYSA-N 2 0 318.505 3.721 20 0 DHADRP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663343709 1024170971 /nfs/dbraw/zinc/17/09/71/1024170971.db2.gz BYYXFUJHCRRLRV-CQSZACIVSA-N 2 0 310.532 3.682 20 0 DHADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343814 1024171717 /nfs/dbraw/zinc/17/17/17/1024171717.db2.gz FSXMPTMLJMBDBR-HKUYNNGSSA-N 2 0 300.490 3.638 20 0 DHADRP Cc1ccc(-c2ccc(C[NH+](C)C)cc2)c(C[NH+]2CCOCC2)c1 ZINC001204660583 1024176311 /nfs/dbraw/zinc/17/63/11/1024176311.db2.gz IYRRVPZIPVIMIG-UHFFFAOYSA-N 2 0 324.468 3.556 20 0 DHADRP CCCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663346640 1024178479 /nfs/dbraw/zinc/17/84/79/1024178479.db2.gz BPAFQEWAXYNATR-IBGZPJMESA-N 2 0 316.489 3.687 20 0 DHADRP CCCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663346641 1024179421 /nfs/dbraw/zinc/17/94/21/1024179421.db2.gz BPAFQEWAXYNATR-LJQANCHMSA-N 2 0 316.489 3.687 20 0 DHADRP Cc1ncsc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000268878598 1024186003 /nfs/dbraw/zinc/18/60/03/1024186003.db2.gz HPCBKFVSAAJKSQ-NSHDSACASA-N 2 0 307.438 3.503 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790047904 1024212437 /nfs/dbraw/zinc/21/24/37/1024212437.db2.gz DREYYAUUUXUQIQ-PKOBYXMFSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790048264 1024213766 /nfs/dbraw/zinc/21/37/66/1024213766.db2.gz HRZONHXFLDLWGX-HKUYNNGSSA-N 2 0 300.490 3.961 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000269044161 1024229713 /nfs/dbraw/zinc/22/97/13/1024229713.db2.gz URYUCFUACNHBMF-CVEARBPZSA-N 2 0 316.489 3.794 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCO2 ZINC000269050404 1024230339 /nfs/dbraw/zinc/23/03/39/1024230339.db2.gz VVASOADNNNOUMA-LJQANCHMSA-N 2 0 314.473 3.679 20 0 DHADRP c1cc2c(cc[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000663389277 1024274311 /nfs/dbraw/zinc/27/43/11/1024274311.db2.gz YXEPKTROEQSJNR-UHFFFAOYSA-N 2 0 320.440 3.682 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccncn1 ZINC000453064592 1024295898 /nfs/dbraw/zinc/29/58/98/1024295898.db2.gz TYFXADRJIPQOLP-IRXDYDNUSA-N 2 0 324.472 3.702 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccncn1 ZINC000453055167 1024306973 /nfs/dbraw/zinc/30/69/73/1024306973.db2.gz DHWIXVUIQKAXHB-IAGOWNOFSA-N 2 0 324.472 3.559 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000453087352 1024322672 /nfs/dbraw/zinc/32/26/72/1024322672.db2.gz NSTDNJQGLTUTRD-KRWDZBQOSA-N 2 0 311.473 3.644 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453088616 1024324413 /nfs/dbraw/zinc/32/44/13/1024324413.db2.gz RJSWJCKVSNIPDM-UXLLHSPISA-N 2 0 310.507 3.678 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000453106312 1024334774 /nfs/dbraw/zinc/33/47/74/1024334774.db2.gz IQCPGDJMIIJTNZ-CTNGQTDRSA-N 2 0 323.484 3.687 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c2sccc21 ZINC000453108579 1024335421 /nfs/dbraw/zinc/33/54/21/1024335421.db2.gz LARYABBGKSFIOL-HLLBOEOZSA-N 2 0 322.518 3.513 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000453127655 1024355967 /nfs/dbraw/zinc/35/59/67/1024355967.db2.gz LMMHDDVKAFSEFL-LZWOXQAQSA-N 2 0 310.507 3.633 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC000453129192 1024357724 /nfs/dbraw/zinc/35/77/24/1024357724.db2.gz XNHDBRGORZGLOJ-FXAWDEMLSA-N 2 0 315.505 3.647 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@H]3CCC[C@H]32)cc1 ZINC000453139517 1024365087 /nfs/dbraw/zinc/36/50/87/1024365087.db2.gz AQZQXOXBYZUFMV-AKHDSKFASA-N 2 0 316.514 3.525 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453139520 1024365693 /nfs/dbraw/zinc/36/56/93/1024365693.db2.gz AQZQXOXBYZUFMV-XWSJACJDSA-N 2 0 316.514 3.525 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2s1 ZINC000925775204 1024386943 /nfs/dbraw/zinc/38/69/43/1024386943.db2.gz DQRJAAUXVARNMK-WCQYABFASA-N 2 0 310.413 3.797 20 0 DHADRP c1cncc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CCC2)c1 ZINC000663463561 1024397134 /nfs/dbraw/zinc/39/71/34/1024397134.db2.gz ADCFOOBGFLQORG-YLJYHZDGSA-N 2 0 313.489 3.634 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCOCc2ccccc2)C1 ZINC000877019964 1033208265 /nfs/dbraw/zinc/20/82/65/1033208265.db2.gz IQMAPVCSRBNVQH-ICSRJNTNSA-N 2 0 318.505 3.692 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453214658 1024405366 /nfs/dbraw/zinc/40/53/66/1024405366.db2.gz FCHQSNLKAPPEOB-LCWAXJCOSA-N 2 0 316.464 3.910 20 0 DHADRP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000663467367 1024408743 /nfs/dbraw/zinc/40/87/43/1024408743.db2.gz FCGIQCHGJGWFPM-OXQOHEQNSA-N 2 0 316.464 3.988 20 0 DHADRP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000663467362 1024409373 /nfs/dbraw/zinc/40/93/73/1024409373.db2.gz FCGIQCHGJGWFPM-JXFKEZNVSA-N 2 0 316.464 3.988 20 0 DHADRP c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468875 1024411971 /nfs/dbraw/zinc/41/19/71/1024411971.db2.gz NEWBFSJVWIDHFY-FUHWJXTLSA-N 2 0 316.514 3.935 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172456394 1033209436 /nfs/dbraw/zinc/20/94/36/1033209436.db2.gz DPMHXDHJPRIZNA-ICSRJNTNSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663467724 1024414734 /nfs/dbraw/zinc/41/47/34/1024414734.db2.gz HLCJVLIUPHBLQC-LRDDRELGSA-N 2 0 307.507 3.533 20 0 DHADRP FCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453250535 1024425809 /nfs/dbraw/zinc/42/58/09/1024425809.db2.gz ZKYSMXAWZGYNHS-GUDVDZBRSA-N 2 0 304.453 3.769 20 0 DHADRP CCn1nccc1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000663471628 1024427876 /nfs/dbraw/zinc/42/78/76/1024427876.db2.gz UTYQQNUJWWCWOS-UHFFFAOYSA-N 2 0 320.525 3.672 20 0 DHADRP COc1ccc2oc(CN(C)C3CC[NH+](C(C)C)CC3)cc2c1 ZINC000271019954 1024445197 /nfs/dbraw/zinc/44/51/97/1024445197.db2.gz ASNQPSDGBBRSMC-UHFFFAOYSA-N 2 0 316.445 3.746 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000166075526 1024454810 /nfs/dbraw/zinc/45/48/10/1024454810.db2.gz VMKSSOSTNRDMEM-GPMSIDNRSA-N 2 0 304.478 3.509 20 0 DHADRP CC(C)(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000925781062 1024460372 /nfs/dbraw/zinc/46/03/72/1024460372.db2.gz HEEYXKFBYGLNRL-HOTGVXAUSA-N 2 0 310.432 3.998 20 0 DHADRP CC(C)(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000925781057 1024460520 /nfs/dbraw/zinc/46/05/20/1024460520.db2.gz HEEYXKFBYGLNRL-CVEARBPZSA-N 2 0 310.432 3.998 20 0 DHADRP CCc1ccc(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000604384244 1024470367 /nfs/dbraw/zinc/47/03/67/1024470367.db2.gz NCPGVXDCQUKFCW-UHFFFAOYSA-N 2 0 302.506 3.844 20 0 DHADRP C[C@H]1C[C@H]([NH+]2CCC(Cc3c(F)cccc3F)CC2)CCN1C ZINC000453341239 1024470402 /nfs/dbraw/zinc/47/04/02/1024470402.db2.gz COTHIHRNFHPLDI-GOEBONIOSA-N 2 0 322.443 3.702 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC001167823947 1024474586 /nfs/dbraw/zinc/47/45/86/1024474586.db2.gz AMKHTRAXZMARCL-KRWDZBQOSA-N 2 0 303.494 3.772 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2C)C1 ZINC001167824279 1024477474 /nfs/dbraw/zinc/47/74/74/1024477474.db2.gz DAOQBOYXDLTNRI-MOPGFXCFSA-N 2 0 318.505 3.959 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000271268690 1024479583 /nfs/dbraw/zinc/47/95/83/1024479583.db2.gz AFXZIBXLQHJUKX-OWCLPIDISA-N 2 0 307.457 3.629 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000663502010 1024489995 /nfs/dbraw/zinc/48/99/95/1024489995.db2.gz CVWASSXSAZXFQZ-CZUORRHYSA-N 2 0 314.420 3.572 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000663503566 1024490723 /nfs/dbraw/zinc/49/07/23/1024490723.db2.gz PJYKCTHKAQPNPS-IUODEOHRSA-N 2 0 302.384 3.599 20 0 DHADRP CCCCCCN1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167826563 1024501130 /nfs/dbraw/zinc/50/11/30/1024501130.db2.gz QFDHCYNJTWIBAL-IBGZPJMESA-N 2 0 311.558 3.695 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001167827161 1024507132 /nfs/dbraw/zinc/50/71/32/1024507132.db2.gz UFTHWOKYGHYCPN-ZWKOTPCHSA-N 2 0 303.494 3.772 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001167827446 1024511214 /nfs/dbraw/zinc/51/12/14/1024511214.db2.gz WDAOWTQSAOHWRI-SFHVURJKSA-N 3 0 311.558 3.549 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453396451 1024512641 /nfs/dbraw/zinc/51/26/41/1024512641.db2.gz IVVBTUIGWHLUIT-OAHLLOKOSA-N 2 0 300.446 3.828 20 0 DHADRP Cc1cc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)ccc1F ZINC000271500999 1024524938 /nfs/dbraw/zinc/52/49/38/1024524938.db2.gz MCTNYFMVMHYCHJ-JENIJYKNSA-N 2 0 302.437 3.802 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccccc1OC(F)(F)F)C1CC1 ZINC000453599361 1024538126 /nfs/dbraw/zinc/53/81/26/1024538126.db2.gz QQPPREMAQRMPON-UHFFFAOYSA-N 2 0 316.367 3.549 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534695 1024541777 /nfs/dbraw/zinc/54/17/77/1024541777.db2.gz AGMFVINXOXGFRG-UONOGXRCSA-N 2 0 308.878 3.609 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000453602551 1024547510 /nfs/dbraw/zinc/54/75/10/1024547510.db2.gz WUHQNBIRDXDMFZ-UHFFFAOYSA-N 2 0 316.367 3.549 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000453601112 1024548105 /nfs/dbraw/zinc/54/81/05/1024548105.db2.gz USJATQGEWHNRGY-UHFFFAOYSA-N 2 0 318.358 3.809 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532126322 1024559956 /nfs/dbraw/zinc/55/99/56/1024559956.db2.gz GGNQNYNJBAYGBR-IBGZPJMESA-N 2 0 322.537 3.922 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000925793835 1024565170 /nfs/dbraw/zinc/56/51/70/1024565170.db2.gz BTFHBYMTCCDHFX-JXXFODFXSA-N 2 0 309.457 3.645 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000532192697 1024572804 /nfs/dbraw/zinc/57/28/04/1024572804.db2.gz BJEPFWJGJOVRRJ-ZACQAIPSSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000643457050 1024581838 /nfs/dbraw/zinc/58/18/38/1024581838.db2.gz KCZRBCJSXJYXQM-VAMGGRTRSA-N 2 0 300.490 3.746 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCOC2(C)C)CC1 ZINC001167834342 1024584295 /nfs/dbraw/zinc/58/42/95/1024584295.db2.gz IUIMVSOAXLGVCB-KRWDZBQOSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663607232 1024618044 /nfs/dbraw/zinc/61/80/44/1024618044.db2.gz GHYJDWYDOBOMBM-CVEARBPZSA-N 2 0 312.461 3.654 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000648434895 1024635488 /nfs/dbraw/zinc/63/54/88/1024635488.db2.gz QWGQUXKVAKTEGT-SJORKVTESA-N 2 0 300.490 3.718 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000648438904 1024645007 /nfs/dbraw/zinc/64/50/07/1024645007.db2.gz OKPUUOMZZZJVON-IRXDYDNUSA-N 2 0 322.518 3.507 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCN(C)Cc1ccccc1 ZINC001167841772 1024664684 /nfs/dbraw/zinc/66/46/84/1024664684.db2.gz QKVKACOMPOHHKY-IBGZPJMESA-N 2 0 319.537 3.561 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168152483 1024665847 /nfs/dbraw/zinc/66/58/47/1024665847.db2.gz VLNLWKMIDIVJCC-OAHLLOKOSA-N 2 0 308.897 3.981 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000666086352 1024681182 /nfs/dbraw/zinc/68/11/82/1024681182.db2.gz DHDGSRWRHKQKPE-MRXNPFEDSA-N 2 0 318.892 3.804 20 0 DHADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C)c2ncccc2c1 ZINC000349361739 1024708780 /nfs/dbraw/zinc/70/87/80/1024708780.db2.gz BWNQFFCSYGUUMZ-UHFFFAOYSA-N 2 0 311.473 3.851 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168168452 1024754386 /nfs/dbraw/zinc/75/43/86/1024754386.db2.gz SWPBJZFJDKSNOA-CQSZACIVSA-N 2 0 306.881 3.735 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001170387219 1024761197 /nfs/dbraw/zinc/76/11/97/1024761197.db2.gz RTOJYCKXYFLXNT-MOPGFXCFSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC001168170937 1024773694 /nfs/dbraw/zinc/77/36/94/1024773694.db2.gz RZZCOBSLBDGGOB-RKVPGOIHSA-N 2 0 308.897 3.979 20 0 DHADRP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000319865145 1024854876 /nfs/dbraw/zinc/85/48/76/1024854876.db2.gz SEMVITBLFLKSDK-KRWDZBQOSA-N 2 0 320.477 3.621 20 0 DHADRP CCCCCC[C@@H](CCCC)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172516226 1033241370 /nfs/dbraw/zinc/24/13/70/1033241370.db2.gz HJPUNUHRZQUVKT-LJQANCHMSA-N 2 0 311.558 3.743 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Br)cs1 ZINC000226394344 1024881234 /nfs/dbraw/zinc/88/12/34/1024881234.db2.gz MESBREOYMLKRML-SNVBAGLBSA-N 2 0 305.285 3.503 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000793241776 1024959339 /nfs/dbraw/zinc/95/93/39/1024959339.db2.gz XPUMUWAIZVFYTM-RBUKOAKNSA-N 2 0 318.505 3.741 20 0 DHADRP F[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000348318789 1025024558 /nfs/dbraw/zinc/02/45/58/1025024558.db2.gz FZEKFRLHUYYUGF-SCIMBWJRSA-N 2 0 302.437 3.662 20 0 DHADRP Cc1ccc(C[NH+]2CCCCC2)cc1NC1(C)CC[NH2+]CC1 ZINC001168188843 1025045955 /nfs/dbraw/zinc/04/59/55/1025045955.db2.gz DOOQTDBERARIOU-UHFFFAOYSA-N 2 0 301.478 3.535 20 0 DHADRP C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348322357 1025049060 /nfs/dbraw/zinc/04/90/60/1025049060.db2.gz IMOSQSYLFIAPGW-HNNXBMFYSA-N 2 0 308.441 3.560 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000063158886 1025051819 /nfs/dbraw/zinc/05/18/19/1025051819.db2.gz KZWYKWIIYQIRRG-LBPRGKRZSA-N 2 0 300.368 3.698 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000353398244 1025054398 /nfs/dbraw/zinc/05/43/98/1025054398.db2.gz ZPVPAAVIFLGXAB-HTWSVDAQSA-N 2 0 314.473 3.895 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)[C@H]2CCC[C@H]21 ZINC000353401803 1025055289 /nfs/dbraw/zinc/05/52/89/1025055289.db2.gz IGLBROGYCGCMCV-VJUNAUMWSA-N 2 0 320.477 3.825 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCc3cc(F)ccc32)ccc1F ZINC000120819940 1025055434 /nfs/dbraw/zinc/05/54/34/1025055434.db2.gz AZORQYANULDDIS-IBGZPJMESA-N 2 0 316.395 3.804 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877146287 1033257442 /nfs/dbraw/zinc/25/74/42/1033257442.db2.gz WHPLGFNBIONBFI-OAHLLOKOSA-N 2 0 315.288 3.810 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353505043 1025098751 /nfs/dbraw/zinc/09/87/51/1025098751.db2.gz ULAYBZYNHAXTRG-USXIJHARSA-N 2 0 316.420 3.843 20 0 DHADRP CC(C)C1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000539056324 1033259069 /nfs/dbraw/zinc/25/90/69/1033259069.db2.gz GLCUAMNOSPNXNP-INIZCTEOSA-N 2 0 304.478 3.714 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000353521839 1025105153 /nfs/dbraw/zinc/10/51/53/1025105153.db2.gz SSIHCDVDCVUWSB-XBMUEBEBSA-N 2 0 318.530 3.915 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000353623711 1025156195 /nfs/dbraw/zinc/15/61/95/1025156195.db2.gz RSKJBMWVMPCCOL-UHFFFAOYSA-N 2 0 309.457 3.711 20 0 DHADRP CSC1(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC[NH+](C)CC1 ZINC000353623597 1025158008 /nfs/dbraw/zinc/15/80/08/1025158008.db2.gz BOJBZXLUEVPHSR-PBHICJAKSA-N 2 0 304.503 3.652 20 0 DHADRP Cc1cc(C)cc(OCCCN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000391373856 1025181652 /nfs/dbraw/zinc/18/16/52/1025181652.db2.gz VORFBEUMUVIYIE-UHFFFAOYSA-N 2 0 316.489 3.536 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353667622 1025185237 /nfs/dbraw/zinc/18/52/37/1025185237.db2.gz CNEYIYPPNCGVCV-KSZLIROESA-N 2 0 304.503 3.512 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261566204 1025193379 /nfs/dbraw/zinc/19/33/79/1025193379.db2.gz YUKBGORSFDWPRD-FQEVSTJZSA-N 2 0 324.468 3.743 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@H](C)C1 ZINC000539068947 1033266818 /nfs/dbraw/zinc/26/68/18/1033266818.db2.gz JSKFPISROGADAB-QAPCUYQASA-N 2 0 324.896 3.819 20 0 DHADRP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400989528 1025220877 /nfs/dbraw/zinc/22/08/77/1025220877.db2.gz XIEGJWVZSVUADL-MPTYRVRUSA-N 2 0 302.462 3.579 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c3cccnc23)C[C@H]1C ZINC000353754221 1025237091 /nfs/dbraw/zinc/23/70/91/1025237091.db2.gz YZVLVDFWAFUIEM-GDBMZVCRSA-N 2 0 315.436 3.679 20 0 DHADRP CCC1([NH+]2CCC2)CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000884717102 1025237979 /nfs/dbraw/zinc/23/79/79/1025237979.db2.gz RWHNTXXAZZRDFQ-UHFFFAOYSA-N 2 0 313.367 3.555 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000539072662 1033269122 /nfs/dbraw/zinc/26/91/22/1033269122.db2.gz PPCCTYVTUJZIGS-MDZRGWNJSA-N 2 0 318.505 3.681 20 0 DHADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000282569017 1025291649 /nfs/dbraw/zinc/29/16/49/1025291649.db2.gz UZIMFEMMHKFETN-HNNXBMFYSA-N 2 0 314.395 3.829 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1 ZINC000171126529 1025299423 /nfs/dbraw/zinc/29/94/23/1025299423.db2.gz MWVSKLBFAXRYPN-KRWDZBQOSA-N 2 0 312.457 3.868 20 0 DHADRP COc1ccc(C2([NH3+])CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC001168205393 1025320463 /nfs/dbraw/zinc/32/04/63/1025320463.db2.gz ANJKEENPOHLNID-UHFFFAOYSA-N 2 0 302.462 3.524 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000236796715 1025323212 /nfs/dbraw/zinc/32/32/12/1025323212.db2.gz MLDIDLJCZLWVBW-QZTJIDSGSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cc2cc[nH]c2c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170453933 1025330996 /nfs/dbraw/zinc/33/09/96/1025330996.db2.gz QHERNRUKQSHYES-UHFFFAOYSA-N 2 0 300.450 3.935 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC[C@H]2CCC[NH+]2C)CC1)CC(C)C ZINC000539098343 1033275025 /nfs/dbraw/zinc/27/50/25/1033275025.db2.gz GBPQSWYTUFNGOK-HXUWFJFHSA-N 3 0 323.569 3.551 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000124356407 1025336084 /nfs/dbraw/zinc/33/60/84/1025336084.db2.gz YTLCTUKTUJAXJT-CHWSQXEVSA-N 2 0 312.379 3.840 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000354105964 1025352078 /nfs/dbraw/zinc/35/20/78/1025352078.db2.gz GEZUSMCJTUCMDH-UHFFFAOYSA-N 2 0 324.534 3.627 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000438124256 1025371298 /nfs/dbraw/zinc/37/12/98/1025371298.db2.gz ZXYLNPNBRSSZCK-CADBVGFASA-N 2 0 310.526 3.776 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001204089846 1033278805 /nfs/dbraw/zinc/27/88/05/1033278805.db2.gz RQVNXPYOOMIGAI-YSIASYRMSA-N 2 0 316.489 3.541 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000438124257 1025372094 /nfs/dbraw/zinc/37/20/94/1025372094.db2.gz ZXYLNPNBRSSZCK-INDMIFKZSA-N 2 0 310.526 3.776 20 0 DHADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354178126 1025376394 /nfs/dbraw/zinc/37/63/94/1025376394.db2.gz UYPJQQDWKBZNJF-HXUWFJFHSA-N 2 0 312.457 3.913 20 0 DHADRP CCc1cccc(F)c1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC000354180586 1025377414 /nfs/dbraw/zinc/37/74/14/1025377414.db2.gz IKYNLSLFMHHTAW-UHFFFAOYSA-N 2 0 309.388 3.864 20 0 DHADRP Clc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000885905205 1025402067 /nfs/dbraw/zinc/40/20/67/1025402067.db2.gz JSYIYXWXBFDQDD-UHFFFAOYSA-N 2 0 315.848 3.621 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000539094283 1033276181 /nfs/dbraw/zinc/27/61/81/1033276181.db2.gz UYHAINYUUPABIO-UGSOOPFHSA-N 2 0 304.453 3.912 20 0 DHADRP COCc1cccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924683606 1033276252 /nfs/dbraw/zinc/27/62/52/1033276252.db2.gz GHIFSXMAZUCEAT-INIZCTEOSA-N 2 0 312.457 3.745 20 0 DHADRP c1ccc([C@@H]2CCC[C@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001172543627 1033276347 /nfs/dbraw/zinc/27/63/47/1033276347.db2.gz HGSZOZMWJNVRHT-CTNGQTDRSA-N 2 0 321.468 3.930 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000885924686 1025406200 /nfs/dbraw/zinc/40/62/00/1025406200.db2.gz UNPVEHLAUTUHIN-UHFFFAOYSA-N 2 0 317.864 3.867 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000885948791 1025414245 /nfs/dbraw/zinc/41/42/45/1025414245.db2.gz FPXYASCEFFDTDO-VQTJNVASSA-N 2 0 318.505 3.964 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000885953926 1025417838 /nfs/dbraw/zinc/41/78/38/1025417838.db2.gz JRHBGKSXDCWWOB-HKUYNNGSSA-N 2 0 308.510 3.578 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885951723 1025417864 /nfs/dbraw/zinc/41/78/64/1025417864.db2.gz OVEYARJQYOCWNR-SFHVURJKSA-N 2 0 308.510 3.722 20 0 DHADRP COc1ccc2nc(C)cc(OCCCn3ccnc3C)c2c1 ZINC000354539541 1025453037 /nfs/dbraw/zinc/45/30/37/1025453037.db2.gz RGEVFGFPZSNYME-UHFFFAOYSA-N 2 0 311.385 3.526 20 0 DHADRP c1csc(CN2CCC[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)c1 ZINC000126796384 1025520702 /nfs/dbraw/zinc/52/07/02/1025520702.db2.gz DQTKYGGEWPAAQR-AWEZNQCLSA-N 2 0 304.503 3.738 20 0 DHADRP [NH3+]C1CC[NH+](CCc2cn([C@H]3C[C@H]4C[C@H]4C3)c3ccccc23)CC1 ZINC001167908425 1025594200 /nfs/dbraw/zinc/59/42/00/1025594200.db2.gz DHMPZPLPZSWZLV-DZFIZOCASA-N 2 0 323.484 3.578 20 0 DHADRP c1cnc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000886495123 1025651553 /nfs/dbraw/zinc/65/15/53/1025651553.db2.gz IOPJHYCYCPJCNG-FQEVSTJZSA-N 2 0 321.468 3.845 20 0 DHADRP C[C@@]1(C[NH3+])CCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000261695817 1025661371 /nfs/dbraw/zinc/66/13/71/1025661371.db2.gz LALDAXVVXJKZAS-KRWDZBQOSA-N 2 0 304.434 3.725 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCOC2CCCC2)CC1 ZINC000886518958 1025671194 /nfs/dbraw/zinc/67/11/94/1025671194.db2.gz KKOVFLXRAWVCKE-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000886526942 1025677668 /nfs/dbraw/zinc/67/76/68/1025677668.db2.gz VPCZDDIEEKSESV-UHFFFAOYSA-N 2 0 319.518 3.907 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)CC[N@@H+]1C ZINC000886533090 1025680081 /nfs/dbraw/zinc/68/00/81/1025680081.db2.gz USYQNDIPOITKNB-DFHBCGBQSA-N 2 0 315.436 3.757 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000886532795 1025680448 /nfs/dbraw/zinc/68/04/48/1025680448.db2.gz PAPXTSBANJPCQT-MOXMWUHRSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)CC[N@@H+]1C ZINC000886533093 1025680731 /nfs/dbraw/zinc/68/07/31/1025680731.db2.gz USYQNDIPOITKNB-UVBSCNOISA-N 2 0 315.436 3.757 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000886611166 1025736847 /nfs/dbraw/zinc/73/68/47/1025736847.db2.gz VAAHJKUZGYDPFO-VXESANQCSA-N 2 0 314.473 3.549 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000236916546 1025742379 /nfs/dbraw/zinc/74/23/79/1025742379.db2.gz JSJRDNSABAPSCM-UHFFFAOYSA-N 2 0 316.489 3.612 20 0 DHADRP COc1cccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1F ZINC000886641281 1025754559 /nfs/dbraw/zinc/75/45/59/1025754559.db2.gz FJLQSZVFMFFZGW-UHFFFAOYSA-N 2 0 320.452 3.721 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806131759 1025775251 /nfs/dbraw/zinc/77/52/51/1025775251.db2.gz MRYKEZUGHRHOPX-GOEBONIOSA-N 2 0 321.896 3.824 20 0 DHADRP Cc1csc(C[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000886696054 1025804847 /nfs/dbraw/zinc/80/48/47/1025804847.db2.gz FSEOECHSSPDBJL-DLBZAZTESA-N 2 0 321.534 3.580 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccncc1 ZINC000090775325 1026087980 /nfs/dbraw/zinc/08/79/80/1026087980.db2.gz CLVFEUMUNYFEME-IPJUCJBFSA-N 2 0 301.478 3.775 20 0 DHADRP Cc1ncccc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702899 1026135417 /nfs/dbraw/zinc/13/54/17/1026135417.db2.gz DMDTWDRBCBWJSI-LAUBAEHRSA-N 2 0 323.484 3.875 20 0 DHADRP COCCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000894140914 1026154008 /nfs/dbraw/zinc/15/40/08/1026154008.db2.gz HOVMOZLSYSTCGZ-NXEWRWPSSA-N 2 0 316.489 3.759 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCCS2)C3)cc1 ZINC000245736447 1026183888 /nfs/dbraw/zinc/18/38/88/1026183888.db2.gz QXJVEOAZPWXLGO-OKYOBFRVSA-N 2 0 316.514 3.667 20 0 DHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000576399669 1026280663 /nfs/dbraw/zinc/28/06/63/1026280663.db2.gz OBYCNXUXAZXBRN-OLZOCXBDSA-N 2 0 304.821 3.769 20 0 DHADRP Fc1ccc(C2CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)c(F)c1 ZINC000894171182 1026313752 /nfs/dbraw/zinc/31/37/52/1026313752.db2.gz CVYDSUYSLIJSEB-UHFFFAOYSA-N 2 0 320.427 3.817 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2nccc3ccccc32)CC1 ZINC000894180980 1026330864 /nfs/dbraw/zinc/33/08/64/1026330864.db2.gz MVBYOUNJPJYSTQ-UHFFFAOYSA-N 2 0 311.473 3.837 20 0 DHADRP CCCCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000808675309 1026353008 /nfs/dbraw/zinc/35/30/08/1026353008.db2.gz CFNUBKIXOMAZMK-SFHVURJKSA-N 2 0 311.558 3.597 20 0 DHADRP CCCCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)(C)C ZINC000808706319 1026358781 /nfs/dbraw/zinc/35/87/81/1026358781.db2.gz HBRPZJSQNJJJPQ-FHWLQOOXSA-N 2 0 324.553 3.949 20 0 DHADRP FCC1CC[NH+](CCCCC[NH+]2CCC(CF)CC2)CC1 ZINC000451399624 1026453934 /nfs/dbraw/zinc/45/39/34/1026453934.db2.gz ZKAMDFGAPGRYNP-UHFFFAOYSA-N 2 0 302.453 3.520 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000513683059 1026558924 /nfs/dbraw/zinc/55/89/24/1026558924.db2.gz FXPCVENWXPQCPV-BZSNNMDCSA-N 2 0 306.881 3.735 20 0 DHADRP COCc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738128 1026610914 /nfs/dbraw/zinc/61/09/14/1026610914.db2.gz QBXONRRJCJJFDE-UHFFFAOYSA-N 2 0 312.457 3.527 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000513708697 1026755075 /nfs/dbraw/zinc/75/50/75/1026755075.db2.gz VYWOGNYKHFOJFW-HNNXBMFYSA-N 2 0 324.459 3.996 20 0 DHADRP Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420218165 1026791242 /nfs/dbraw/zinc/79/12/42/1026791242.db2.gz OZJIRLXKMOXFLY-STQMWFEESA-N 2 0 303.837 3.679 20 0 DHADRP COc1ccc([C@@H]2CCCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420316636 1026799885 /nfs/dbraw/zinc/79/98/85/1026799885.db2.gz MVMNKEUWNZYVHU-APWZRJJASA-N 2 0 302.462 3.612 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)CCC2 ZINC000420319004 1026802620 /nfs/dbraw/zinc/80/26/20/1026802620.db2.gz RAGUYNOOBIDCGY-VQIMIIECSA-N 2 0 302.437 3.525 20 0 DHADRP CC(C)(C)CCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420318471 1026802775 /nfs/dbraw/zinc/80/27/75/1026802775.db2.gz WGUBYSMUVRHGGU-HNNXBMFYSA-N 2 0 321.534 3.914 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000420364505 1026810381 /nfs/dbraw/zinc/81/03/81/1026810381.db2.gz CXENCIYJKLJTTN-HIFRSBDPSA-N 2 0 312.404 3.718 20 0 DHADRP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCC[NH3+])c1 ZINC000420372643 1026810406 /nfs/dbraw/zinc/81/04/06/1026810406.db2.gz LQERSDDCDVCOFH-UXHICEINSA-N 2 0 310.441 3.575 20 0 DHADRP C[C@H](c1ccccc1Cl)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420382473 1026811672 /nfs/dbraw/zinc/81/16/72/1026811672.db2.gz PUNWHQVEXRWUIL-JEBQAFNWSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420383729 1026812304 /nfs/dbraw/zinc/81/23/04/1026812304.db2.gz ZYCABXNQOBVEBJ-UWVGGRQHSA-N 2 0 305.224 3.783 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420383734 1026812876 /nfs/dbraw/zinc/81/28/76/1026812876.db2.gz ZYCABXNQOBVEBJ-ZJUUUORDSA-N 2 0 305.224 3.783 20 0 DHADRP Clc1ccc(SC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420375840 1026813595 /nfs/dbraw/zinc/81/35/95/1026813595.db2.gz PVMXDHUTPAFJTB-CQSZACIVSA-N 2 0 324.921 3.896 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000420399436 1026814383 /nfs/dbraw/zinc/81/43/83/1026814383.db2.gz HUNZLATWRPWMLK-ROUUACIJSA-N 2 0 314.498 3.930 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420413949 1026814818 /nfs/dbraw/zinc/81/48/18/1026814818.db2.gz UCZXTRKWGGXHRE-UKRRQHHQSA-N 2 0 300.368 3.541 20 0 DHADRP C[N@@H+](Cc1cc(Cl)ccc1Cl)CC1CC[NH+](C)CC1 ZINC000513725828 1026851936 /nfs/dbraw/zinc/85/19/36/1026851936.db2.gz SZWPAQSNWACKRJ-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP C[C@H](c1ccccc1)[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420906773 1026875482 /nfs/dbraw/zinc/87/54/82/1026875482.db2.gz SWHVOXMBJSYQKL-GOSISDBHSA-N 2 0 324.468 3.712 20 0 DHADRP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000414499038 1026936811 /nfs/dbraw/zinc/93/68/11/1026936811.db2.gz XSIZXRVDEMQTQE-LJQANCHMSA-N 2 0 306.413 3.817 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000421376508 1026970528 /nfs/dbraw/zinc/97/05/28/1026970528.db2.gz RGUBSXMTTPWZBX-UHFFFAOYSA-N 2 0 321.515 3.834 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811476871 1027016216 /nfs/dbraw/zinc/01/62/16/1027016216.db2.gz VBRHPYVQVFVBKM-UHFFFAOYSA-N 2 0 318.292 3.990 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)CCCCC1 ZINC000421823032 1027056439 /nfs/dbraw/zinc/05/64/39/1027056439.db2.gz YMHSZEJJDXINEE-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000421824282 1027056827 /nfs/dbraw/zinc/05/68/27/1027056827.db2.gz HVNLCFNZGPHDOI-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000421839030 1027071847 /nfs/dbraw/zinc/07/18/47/1027071847.db2.gz WFCYSFACEJAKFG-INIZCTEOSA-N 2 0 308.510 3.721 20 0 DHADRP COc1ccc([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421841552 1027072532 /nfs/dbraw/zinc/07/25/32/1027072532.db2.gz KWTXKAATQNMHOT-GOSISDBHSA-N 2 0 322.468 3.853 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCCCC1 ZINC000421839563 1027073332 /nfs/dbraw/zinc/07/33/32/1027073332.db2.gz XPDNBTUPPGHYCD-HNNXBMFYSA-N 2 0 322.468 3.715 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271828777 1027154614 /nfs/dbraw/zinc/15/46/14/1027154614.db2.gz DONHDXGXDNPBAM-CYBMUJFWSA-N 2 0 310.388 3.509 20 0 DHADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000562017547 1027181505 /nfs/dbraw/zinc/18/15/05/1027181505.db2.gz GSUUFIBMPJUHOE-BJLQDIEVSA-N 2 0 318.505 3.722 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000572200941 1027182641 /nfs/dbraw/zinc/18/26/41/1027182641.db2.gz MLLSAHISMCLWSZ-KXBFYZLASA-N 2 0 311.473 3.867 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000562023511 1027186752 /nfs/dbraw/zinc/18/67/52/1027186752.db2.gz IYINABVKAKYIRK-IRXDYDNUSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1sccc1Br ZINC000572272705 1027189327 /nfs/dbraw/zinc/18/93/27/1027189327.db2.gz RRXFBCFCMJDAQY-SNVBAGLBSA-N 2 0 317.296 3.551 20 0 DHADRP FC1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000562059712 1027204531 /nfs/dbraw/zinc/20/45/31/1027204531.db2.gz QMROGSDFUQXOBZ-UHFFFAOYSA-N 2 0 304.453 3.565 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(C[NH+](C)C)c1 ZINC000924946211 1027226948 /nfs/dbraw/zinc/22/69/48/1027226948.db2.gz QEDVYZHAJJNQID-MRXNPFEDSA-N 2 0 311.473 3.665 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000572787743 1027230266 /nfs/dbraw/zinc/23/02/66/1027230266.db2.gz XSAVWKLSPNOHQM-SFHVURJKSA-N 2 0 318.509 3.743 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000422561638 1027285971 /nfs/dbraw/zinc/28/59/71/1027285971.db2.gz MMYCBWUZHRITIM-JXXFODFXSA-N 2 0 309.457 3.554 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(-c3ccsc3)s2)C[C@H]1C[NH3+] ZINC000422561112 1027286122 /nfs/dbraw/zinc/28/61/22/1027286122.db2.gz JBHMJSPUBHCZKQ-YRGRVCCFSA-N 2 0 321.515 3.677 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000422563706 1027287469 /nfs/dbraw/zinc/28/74/69/1027287469.db2.gz UKSIZDHMGLVPKG-FMKPAKJESA-N 2 0 315.486 3.615 20 0 DHADRP CCCCN(C)C[C@@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000562207013 1027292868 /nfs/dbraw/zinc/29/28/68/1027292868.db2.gz HLHJCAWNIIZTQL-MJJDPTRDSA-N 2 0 310.432 3.921 20 0 DHADRP CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422700587 1027295820 /nfs/dbraw/zinc/29/58/20/1027295820.db2.gz AHIPPDNDHHNPOM-MAUKXSAKSA-N 2 0 311.473 3.911 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000924956720 1027296803 /nfs/dbraw/zinc/29/68/03/1027296803.db2.gz YDBDVVLWAMLVJP-LJQANCHMSA-N 2 0 301.478 3.634 20 0 DHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422742854 1027309934 /nfs/dbraw/zinc/30/99/34/1027309934.db2.gz QUXDUFSUQRSYSL-ZHFAOOELSA-N 2 0 321.468 3.556 20 0 DHADRP CC[NH+]1CCC(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000573622256 1027312649 /nfs/dbraw/zinc/31/26/49/1027312649.db2.gz PIXHBKONGNABAI-UHFFFAOYSA-N 2 0 306.416 3.677 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(OC)cc1 ZINC000422769812 1027316007 /nfs/dbraw/zinc/31/60/07/1027316007.db2.gz UBRVIBPUMDXMGD-AUUYWEPGSA-N 2 0 313.445 3.659 20 0 DHADRP c1cc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)ccn1 ZINC000422755417 1027316364 /nfs/dbraw/zinc/31/63/64/1027316364.db2.gz BPGGGVSQWZWBOM-PCCBWWKXSA-N 2 0 321.468 3.759 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422779328 1027319735 /nfs/dbraw/zinc/31/97/35/1027319735.db2.gz FXFJCUSMBBFEAL-CHWSQXEVSA-N 2 0 320.383 3.973 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775259 1027320366 /nfs/dbraw/zinc/32/03/66/1027320366.db2.gz AWOCTEVTKJCNFH-OIISXLGYSA-N 2 0 321.896 3.558 20 0 DHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422785395 1027321799 /nfs/dbraw/zinc/32/17/99/1027321799.db2.gz RBNFUGFGUNZUED-OAHLLOKOSA-N 2 0 310.441 3.765 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000422787510 1027322375 /nfs/dbraw/zinc/32/23/75/1027322375.db2.gz RKMFNSKYURSOQW-YLJYHZDGSA-N 2 0 312.457 3.662 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422794424 1027323337 /nfs/dbraw/zinc/32/33/37/1027323337.db2.gz GMWYADCRONJPMP-LLVKDONJSA-N 2 0 323.362 3.718 20 0 DHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422785393 1027323674 /nfs/dbraw/zinc/32/36/74/1027323674.db2.gz RBNFUGFGUNZUED-HNNXBMFYSA-N 2 0 310.441 3.765 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798223 1027323747 /nfs/dbraw/zinc/32/37/47/1027323747.db2.gz QDVVCLBUGQGDAZ-PJIJBLCYSA-N 2 0 318.411 3.616 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422805581 1027327036 /nfs/dbraw/zinc/32/70/36/1027327036.db2.gz MDTXLPWVZYNPHA-OBJOEFQTSA-N 2 0 300.368 3.744 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422810349 1027330390 /nfs/dbraw/zinc/33/03/90/1027330390.db2.gz RQBSBDZTZDEEBK-GTAWCEEGSA-N 2 0 316.489 3.583 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)c2ccccc21 ZINC000422830810 1027333549 /nfs/dbraw/zinc/33/35/49/1027333549.db2.gz DBXPBEURHJIAOZ-HKUYNNGSSA-N 2 0 309.388 3.584 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422833195 1027335716 /nfs/dbraw/zinc/33/57/16/1027335716.db2.gz VXNPCVSILSMKKC-SLFFLAALSA-N 2 0 316.489 3.874 20 0 DHADRP CCO[C@H](CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C1CCCC1 ZINC000422817432 1027338229 /nfs/dbraw/zinc/33/82/29/1027338229.db2.gz CYPJHGYRHPXNSD-PWIZWCRZSA-N 2 0 318.505 3.520 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2cccnc2)cc1 ZINC000422817257 1027338669 /nfs/dbraw/zinc/33/86/69/1027338669.db2.gz CRBIFRQWUZBDAB-WFZIFLONSA-N 2 0 307.441 3.682 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924958207 1027338698 /nfs/dbraw/zinc/33/86/98/1027338698.db2.gz CWHQIIIFXALOOI-IAGOWNOFSA-N 2 0 318.505 3.685 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422862928 1027341363 /nfs/dbraw/zinc/34/13/63/1027341363.db2.gz OFKYSRHEMXCETL-NHCUHLMSSA-N 2 0 324.468 3.620 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422860534 1027342857 /nfs/dbraw/zinc/34/28/57/1027342857.db2.gz LMELUPUVFFRENA-DLBZAZTESA-N 2 0 312.457 3.619 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422888904 1027348720 /nfs/dbraw/zinc/34/87/20/1027348720.db2.gz OGBFBTZLXFZACW-AWEZNQCLSA-N 2 0 317.408 3.620 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422883101 1027350221 /nfs/dbraw/zinc/35/02/21/1027350221.db2.gz BMFIJLORYOOHKI-MRXNPFEDSA-N 2 0 300.446 3.716 20 0 DHADRP Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422902128 1027355349 /nfs/dbraw/zinc/35/53/49/1027355349.db2.gz TUGXUNZFVCZXHX-AQNXPRMDSA-N 2 0 316.489 3.664 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422908438 1027358209 /nfs/dbraw/zinc/35/82/09/1027358209.db2.gz YPDAEUZGUCAZTM-CMPLNLGQSA-N 2 0 309.866 3.557 20 0 DHADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422923150 1027361583 /nfs/dbraw/zinc/36/15/83/1027361583.db2.gz RHBTWCXSLFCIAV-CEXWTWQISA-N 2 0 312.457 3.876 20 0 DHADRP CCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422924393 1027363003 /nfs/dbraw/zinc/36/30/03/1027363003.db2.gz AYLFTEGHISXEKT-FXAWDEMLSA-N 2 0 314.473 3.802 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422930913 1027364261 /nfs/dbraw/zinc/36/42/61/1027364261.db2.gz ABEWUSPHUGLYAT-DLBZAZTESA-N 2 0 310.869 3.749 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(OC(F)(F)F)c1 ZINC000422929898 1027364626 /nfs/dbraw/zinc/36/46/26/1027364626.db2.gz RUHVFEJADHFKTG-LKSINWNRSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(OC(F)(F)F)c1 ZINC000422929896 1027365158 /nfs/dbraw/zinc/36/51/58/1027365158.db2.gz RUHVFEJADHFKTG-DCBWTQNWSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000422930741 1027366232 /nfs/dbraw/zinc/36/62/32/1027366232.db2.gz VSUZJNJUCLKWMD-NWDGAFQWSA-N 2 0 304.356 3.753 20 0 DHADRP CC[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1cccc(Cl)c1 ZINC000422929917 1027366530 /nfs/dbraw/zinc/36/65/30/1027366530.db2.gz RWOIPFAMCDMNNG-AVVWSFFYSA-N 2 0 310.869 3.605 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422930916 1027366732 /nfs/dbraw/zinc/36/67/32/1027366732.db2.gz ABEWUSPHUGLYAT-SJORKVTESA-N 2 0 310.869 3.749 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000422932288 1027367028 /nfs/dbraw/zinc/36/70/28/1027367028.db2.gz YYYAJERGCGCNJF-SCRDCRAPSA-N 2 0 316.367 3.624 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422940380 1027367828 /nfs/dbraw/zinc/36/78/28/1027367828.db2.gz SSIJBHZAPAZTFS-VQTJNVASSA-N 2 0 324.468 3.982 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422941630 1027368164 /nfs/dbraw/zinc/36/81/64/1027368164.db2.gz JVEDOVHOVWXKDI-DLBZAZTESA-N 2 0 312.457 3.524 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422940379 1027369044 /nfs/dbraw/zinc/36/90/44/1027369044.db2.gz SSIJBHZAPAZTFS-UXHICEINSA-N 2 0 324.468 3.982 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cnoc2C2CC2)C1 ZINC000362752281 1027371777 /nfs/dbraw/zinc/37/17/77/1027371777.db2.gz FNHRMLCUTLZQSK-CVEARBPZSA-N 2 0 317.477 3.638 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422920641 1027373647 /nfs/dbraw/zinc/37/36/47/1027373647.db2.gz MLBNYJMWHAFVSX-BNEJOLLZSA-N 2 0 322.880 3.618 20 0 DHADRP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422948983 1027376062 /nfs/dbraw/zinc/37/60/62/1027376062.db2.gz TZCHZHSWFHXQNE-HBMCJLEFSA-N 2 0 308.469 3.893 20 0 DHADRP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422946824 1027376341 /nfs/dbraw/zinc/37/63/41/1027376341.db2.gz PIIXESSOHBWYSN-YESZJQIVSA-N 2 0 324.415 3.688 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000422959284 1027379007 /nfs/dbraw/zinc/37/90/07/1027379007.db2.gz RJFPWFOTCHGUKB-KBPBESRZSA-N 2 0 303.475 3.978 20 0 DHADRP C[C@H]([NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]C1 ZINC000422958985 1027380320 /nfs/dbraw/zinc/38/03/20/1027380320.db2.gz ZVKFWGCXEUFONL-RWSFTLGLSA-N 2 0 313.272 3.958 20 0 DHADRP COc1ccccc1[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000422956348 1027380893 /nfs/dbraw/zinc/38/08/93/1027380893.db2.gz KVJDYRJZBQKVIY-JXFKEZNVSA-N 2 0 312.457 3.892 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)c2ccccc21 ZINC000422994806 1027385956 /nfs/dbraw/zinc/38/59/56/1027385956.db2.gz WIJUFHWONRERFQ-MXEMCNAFSA-N 2 0 322.452 3.859 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423019962 1027392851 /nfs/dbraw/zinc/39/28/51/1027392851.db2.gz YBLYGFFNFBYSIX-GJZGRUSLSA-N 2 0 313.272 3.885 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423019961 1027393827 /nfs/dbraw/zinc/39/38/27/1027393827.db2.gz YBLYGFFNFBYSIX-CABCVRRESA-N 2 0 313.272 3.885 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000422995713 1027395441 /nfs/dbraw/zinc/39/54/41/1027395441.db2.gz YWAQTBIVRHRWMX-LIRRHRJNSA-N 2 0 309.457 3.922 20 0 DHADRP Fc1ccc(C2=CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423048484 1027395594 /nfs/dbraw/zinc/39/55/94/1027395594.db2.gz WMGMHRNLPQBNAX-HTUJPFKRSA-N 2 0 300.421 3.634 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000423024790 1027397155 /nfs/dbraw/zinc/39/71/55/1027397155.db2.gz MPDIJIPIGFVWDR-FRRDWIJNSA-N 2 0 302.384 3.914 20 0 DHADRP Fc1cccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423027078 1027397391 /nfs/dbraw/zinc/39/73/91/1027397391.db2.gz CVHPULGWXQIKDA-CEXWTWQISA-N 2 0 319.468 3.528 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000423041697 1027399135 /nfs/dbraw/zinc/39/91/35/1027399135.db2.gz XSNJFZUHVOURIC-RBUKOAKNSA-N 2 0 322.452 3.851 20 0 DHADRP C1C[NH2+][C@@H]([C@H]2COCC[C@H]2[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000423074486 1027407042 /nfs/dbraw/zinc/40/70/42/1027407042.db2.gz UUUMSIFDNYEMOX-GUDVDZBRSA-N 2 0 320.521 3.626 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423066815 1027407743 /nfs/dbraw/zinc/40/77/43/1027407743.db2.gz YBFQXDQGFPQUCU-HOTGVXAUSA-N 2 0 310.844 3.760 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000423076871 1027409861 /nfs/dbraw/zinc/40/98/61/1027409861.db2.gz SADBJPKKFHJHJD-HVMFNXBNSA-N 2 0 322.537 3.586 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000423078676 1027410521 /nfs/dbraw/zinc/41/05/21/1027410521.db2.gz OXWZJZCRVZZNPW-HUUCEWRRSA-N 2 0 310.844 3.760 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000423090833 1027413694 /nfs/dbraw/zinc/41/36/94/1027413694.db2.gz YLSBZCREFUEXCU-NHCUHLMSSA-N 2 0 321.468 3.637 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000423090832 1027415290 /nfs/dbraw/zinc/41/52/90/1027415290.db2.gz YLSBZCREFUEXCU-LEWJYISDSA-N 2 0 321.468 3.637 20 0 DHADRP CSc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423096453 1027415308 /nfs/dbraw/zinc/41/53/08/1027415308.db2.gz OVZWHECFNIOCND-GBESFXJTSA-N 2 0 318.530 3.851 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000423117276 1027418087 /nfs/dbraw/zinc/41/80/87/1027418087.db2.gz UPQQFQHQNDSRNL-UYAOXDASSA-N 2 0 323.415 3.974 20 0 DHADRP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423115791 1027418712 /nfs/dbraw/zinc/41/87/12/1027418712.db2.gz YSCAIEXTMBQHRR-YSIASYRMSA-N 2 0 311.473 3.877 20 0 DHADRP CC1(C)CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423129586 1027420855 /nfs/dbraw/zinc/42/08/55/1027420855.db2.gz FMRMWQRVDVOQJJ-SYNHAJSKSA-N 2 0 314.473 3.658 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000423126978 1027421179 /nfs/dbraw/zinc/42/11/79/1027421179.db2.gz BKXWMBYTQPYHTP-LBPRGKRZSA-N 2 0 319.399 3.811 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000423129315 1027421935 /nfs/dbraw/zinc/42/19/35/1027421935.db2.gz QZOFZPMDFZQGCW-OLMNPRSZSA-N 2 0 324.896 3.664 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423105088 1027424007 /nfs/dbraw/zinc/42/40/07/1027424007.db2.gz NBPSUZHEJLYHSI-OGHNNQOOSA-N 2 0 310.869 3.523 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000423107930 1027424803 /nfs/dbraw/zinc/42/48/03/1027424803.db2.gz LQIFUOSLPZWGMC-GHMZBOCLSA-N 2 0 317.246 3.756 20 0 DHADRP FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000423111156 1027427488 /nfs/dbraw/zinc/42/74/88/1027427488.db2.gz VZOKRPVDIMGPOC-CVEARBPZSA-N 2 0 312.379 3.683 20 0 DHADRP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423144990 1027429454 /nfs/dbraw/zinc/42/94/54/1027429454.db2.gz IPFYFMVTIRNYQU-AXUOBQJMSA-N 2 0 320.427 3.853 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423149839 1027432714 /nfs/dbraw/zinc/43/27/14/1027432714.db2.gz XXVSNPJWYPOTTA-WMLDXEAASA-N 2 0 309.457 3.619 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1(C2CCC2)CCC1 ZINC000423173113 1027437178 /nfs/dbraw/zinc/43/71/78/1027437178.db2.gz WYADDQRQGROUGU-PKOBYXMFSA-N 2 0 312.457 3.555 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423186271 1027439397 /nfs/dbraw/zinc/43/93/97/1027439397.db2.gz OEOGQSPLXHXYNJ-GAZPGATBSA-N 2 0 308.425 3.533 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000423177766 1027442511 /nfs/dbraw/zinc/44/25/11/1027442511.db2.gz HVYQORUIZUOUOM-SNVBAGLBSA-N 2 0 319.674 3.710 20 0 DHADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000423208507 1027445734 /nfs/dbraw/zinc/44/57/34/1027445734.db2.gz YVYKHNQAFQCUCE-DLBZAZTESA-N 2 0 324.509 3.530 20 0 DHADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423200960 1027452653 /nfs/dbraw/zinc/45/26/53/1027452653.db2.gz NRKUZNGPXLSUNA-OAHLLOKOSA-N 2 0 316.420 3.665 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423240305 1027459297 /nfs/dbraw/zinc/45/92/97/1027459297.db2.gz CBVUGKHHXSNQPV-VKCQWTKXSA-N 2 0 316.489 3.552 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)[C@@H]1CCC[NH2+]C1 ZINC000423218598 1027463267 /nfs/dbraw/zinc/46/32/67/1027463267.db2.gz SAMJBPDFZIOZMH-LYOVBCGYSA-N 2 0 313.272 3.958 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423262090 1027467247 /nfs/dbraw/zinc/46/72/47/1027467247.db2.gz UGTNTPMBEFFQBF-ZIAGYGMSSA-N 2 0 312.404 3.637 20 0 DHADRP Cc1cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)sc1Br ZINC000423231058 1027469291 /nfs/dbraw/zinc/46/92/91/1027469291.db2.gz KNVCDFCYAGFCTM-WHXUTIOJSA-N 2 0 317.296 3.740 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423247246 1027475415 /nfs/dbraw/zinc/47/54/15/1027475415.db2.gz KWAOWDXPJSQBNB-QWRGUYRKSA-N 2 0 318.795 3.592 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000423251230 1027476105 /nfs/dbraw/zinc/47/61/05/1027476105.db2.gz RQDLBUZGOAJOJG-OXQOHEQNSA-N 2 0 312.432 3.813 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cccc(Br)c21 ZINC000423253164 1027478608 /nfs/dbraw/zinc/47/86/08/1027478608.db2.gz VLJHPYVEUJWZJV-XUJVJEKNSA-N 2 0 323.278 3.587 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423256333 1027479567 /nfs/dbraw/zinc/47/95/67/1027479567.db2.gz DZWJYNUTFUIZQB-QWHCGFSZSA-N 2 0 300.368 3.746 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423288683 1027483214 /nfs/dbraw/zinc/48/32/14/1027483214.db2.gz UJRNMHNARWQPBO-KBPBESRZSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cc(F)c(F)c(F)c1 ZINC000423290906 1027486781 /nfs/dbraw/zinc/48/67/81/1027486781.db2.gz FWSXDBQWXSTTTB-WDEREUQCSA-N 2 0 308.347 3.974 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1OC(F)F ZINC000423268399 1027489388 /nfs/dbraw/zinc/48/93/88/1027489388.db2.gz DNNPRSKMHIOPOL-COPLHBTASA-N 2 0 316.367 3.595 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCCO2 ZINC000295923110 1027490091 /nfs/dbraw/zinc/49/00/91/1027490091.db2.gz KAMVCSNECKEXON-RGPMPMONSA-N 2 0 314.473 3.732 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423269106 1027490724 /nfs/dbraw/zinc/49/07/24/1027490724.db2.gz GOKFZCGZVQQXMA-CABCVRRESA-N 2 0 301.478 3.669 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1SC ZINC000423274430 1027492831 /nfs/dbraw/zinc/49/28/31/1027492831.db2.gz KLPZPYZZCIPBCW-QEJZJMRPSA-N 2 0 308.491 3.585 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423278279 1027494102 /nfs/dbraw/zinc/49/41/02/1027494102.db2.gz QMGITKXNFXJKCF-IUODEOHRSA-N 2 0 302.384 3.599 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956322 1027501872 /nfs/dbraw/zinc/50/18/72/1027501872.db2.gz MQSYMPXZYZMROT-GIZCOMSASA-N 2 0 302.437 3.664 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423297906 1027503656 /nfs/dbraw/zinc/50/36/56/1027503656.db2.gz MKHJTCXYTVNSGV-WDEREUQCSA-N 2 0 307.438 3.503 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423345423 1027507352 /nfs/dbraw/zinc/50/73/52/1027507352.db2.gz OBALKKNJHPRDOG-INIZCTEOSA-N 2 0 310.363 3.666 20 0 DHADRP Clc1cccc([C@H]2CCC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)c1 ZINC000423345851 1027508351 /nfs/dbraw/zinc/50/83/51/1027508351.db2.gz GGMZQGMUWSLHOT-WMZOPIPTSA-N 2 0 304.865 3.876 20 0 DHADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423324042 1027508414 /nfs/dbraw/zinc/50/84/14/1027508414.db2.gz HUZIFKBHAMVHLR-HNNXBMFYSA-N 2 0 316.420 3.794 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]CC3=CC[NH2+]CC3)cs2)cs1 ZINC000423344394 1027508549 /nfs/dbraw/zinc/50/85/49/1027508549.db2.gz MTCLRSUUCRZUGB-NSHDSACASA-N 2 0 319.499 3.750 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423328761 1027510132 /nfs/dbraw/zinc/51/01/32/1027510132.db2.gz ASUSXSSIPQBPGR-ZDUSSCGKSA-N 2 0 313.470 3.689 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423325437 1027510796 /nfs/dbraw/zinc/51/07/96/1027510796.db2.gz JSEXZCXAMPRFOX-QWQRMKEZSA-N 2 0 317.502 3.768 20 0 DHADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423328847 1027510997 /nfs/dbraw/zinc/51/09/97/1027510997.db2.gz MGVAITLQFHIURK-CQSZACIVSA-N 2 0 312.404 3.718 20 0 DHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423333282 1027514012 /nfs/dbraw/zinc/51/40/12/1027514012.db2.gz FCEHJYZGVCESDA-KRWDZBQOSA-N 2 0 322.452 3.836 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1F ZINC000423355874 1027521229 /nfs/dbraw/zinc/52/12/29/1027521229.db2.gz ITXMUQFWWOWWJK-GOSISDBHSA-N 2 0 302.368 3.809 20 0 DHADRP Cc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc(C)c1O ZINC000575907068 1027523117 /nfs/dbraw/zinc/52/31/17/1027523117.db2.gz WMHOLACFBLSKPX-UHFFFAOYSA-N 2 0 318.505 3.857 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423384375 1027528385 /nfs/dbraw/zinc/52/83/85/1027528385.db2.gz LCXSDCROSVBZKS-GFCCVEGCSA-N 2 0 316.832 3.803 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000423392526 1027531461 /nfs/dbraw/zinc/53/14/61/1027531461.db2.gz XRUSCUWGIKDGEO-KYOSRNDESA-N 2 0 316.367 3.766 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423392194 1027535637 /nfs/dbraw/zinc/53/56/37/1027535637.db2.gz LJFBFAIUQXBACM-HLLBOEOZSA-N 2 0 320.477 3.523 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000423406866 1027537607 /nfs/dbraw/zinc/53/76/07/1027537607.db2.gz VFGAIJWGKMACLW-BYCMXARLSA-N 2 0 316.367 3.624 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccccc2)c1 ZINC000423407895 1027541020 /nfs/dbraw/zinc/54/10/20/1027541020.db2.gz WMHXTFWTKPEPKA-HBGVWJBISA-N 2 0 324.468 3.567 20 0 DHADRP COCC1(C[NH2+][C@H](c2cccs2)C2CCCC2)CC[NH2+]CC1 ZINC000423413185 1027541386 /nfs/dbraw/zinc/54/13/86/1027541386.db2.gz YMKRQQJHYGUAIY-KRWDZBQOSA-N 2 0 322.518 3.585 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423429050 1027547044 /nfs/dbraw/zinc/54/70/44/1027547044.db2.gz JYEBCDNYEIGLKS-ZJUUUORDSA-N 2 0 305.285 3.679 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423450801 1027547887 /nfs/dbraw/zinc/54/78/87/1027547887.db2.gz XNSYUCOVUXTFJB-JCGIZDLHSA-N 2 0 310.441 3.985 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@@H](C)CCC[NH3+])c2cccc(F)c2)c1 ZINC000423461730 1027554930 /nfs/dbraw/zinc/55/49/30/1027554930.db2.gz SZNXFSACOXRNCD-KXBFYZLASA-N 2 0 300.421 3.941 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423469260 1027558163 /nfs/dbraw/zinc/55/81/63/1027558163.db2.gz OSQRTNSNYGKPRJ-VHDGCEQUSA-N 2 0 300.368 3.668 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423479864 1027560711 /nfs/dbraw/zinc/56/07/11/1027560711.db2.gz VIVUQXYNXPAYST-GUTXKFCHSA-N 2 0 310.869 3.907 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423479866 1027562058 /nfs/dbraw/zinc/56/20/58/1027562058.db2.gz VIVUQXYNXPAYST-KCQAQPDRSA-N 2 0 310.869 3.907 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000423482469 1027564261 /nfs/dbraw/zinc/56/42/61/1027564261.db2.gz PDDSSBINWZHWKW-CHWSQXEVSA-N 2 0 316.367 3.768 20 0 DHADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1(C)C ZINC000423504348 1027566906 /nfs/dbraw/zinc/56/69/06/1027566906.db2.gz GWFSEPZKPULUHJ-KZNAEPCWSA-N 2 0 304.478 3.648 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000423504253 1027568657 /nfs/dbraw/zinc/56/86/57/1027568657.db2.gz KUXKBELYJOHOPS-FZKQIMNGSA-N 2 0 316.395 3.771 20 0 DHADRP Brc1cccc2c1CC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423486978 1027570236 /nfs/dbraw/zinc/57/02/36/1027570236.db2.gz TYGIDIIRHGIZTR-MLGOLLRUSA-N 2 0 323.278 3.558 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423485252 1027571275 /nfs/dbraw/zinc/57/12/75/1027571275.db2.gz AWPCWZMQZUROJC-JZXOWHBKSA-N 2 0 304.478 3.890 20 0 DHADRP Clc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423489517 1027571686 /nfs/dbraw/zinc/57/16/86/1027571686.db2.gz GFFIVMNZKSOROU-MSOLQXFVSA-N 2 0 322.880 3.539 20 0 DHADRP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423537899 1027582934 /nfs/dbraw/zinc/58/29/34/1027582934.db2.gz LHVCLLPTOMKSTG-OAHLLOKOSA-N 2 0 311.256 3.880 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C(C)C)cc1 ZINC000423537189 1027582948 /nfs/dbraw/zinc/58/29/48/1027582948.db2.gz CBQXLSFGMQVKHH-WTGUMLROSA-N 2 0 300.490 3.540 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423537530 1027583316 /nfs/dbraw/zinc/58/33/16/1027583316.db2.gz KICTZOVNNOKZMA-MRXNPFEDSA-N 2 0 307.441 3.709 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1(c2ccccc2)CCCC1 ZINC000423538324 1027583509 /nfs/dbraw/zinc/58/35/09/1027583509.db2.gz GCGWNJWEBSQQOU-PNYFIKQUSA-N 2 0 312.501 3.865 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(Br)cc2)CC[N@@H+]1C ZINC000296308820 1027601632 /nfs/dbraw/zinc/60/16/32/1027601632.db2.gz GFKFPSSZKRPOOY-UOYPKJBKSA-N 2 0 323.278 3.535 20 0 DHADRP Cn1cncc1CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000576476123 1027621959 /nfs/dbraw/zinc/62/19/59/1027621959.db2.gz TYFJTIYEXYXMNJ-SFHVURJKSA-N 2 0 301.409 3.719 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc(C[NH+](C)C)c1 ZINC000924966360 1027637921 /nfs/dbraw/zinc/63/79/21/1027637921.db2.gz DPIIKHHIRYCOLK-IFXJQAMLSA-N 2 0 310.441 3.792 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCCSC1 ZINC000576665602 1027645684 /nfs/dbraw/zinc/64/56/84/1027645684.db2.gz VYCAIHLOCKGZTI-GOSISDBHSA-N 2 0 320.546 3.877 20 0 DHADRP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)cc1 ZINC000562901665 1027658367 /nfs/dbraw/zinc/65/83/67/1027658367.db2.gz UHWRZGXQCNEJJF-XLIONFOSSA-N 2 0 316.489 3.537 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000576784513 1027659230 /nfs/dbraw/zinc/65/92/30/1027659230.db2.gz LMJVNACLQZFHSI-ROUUACIJSA-N 2 0 320.525 3.548 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985448 1027689597 /nfs/dbraw/zinc/68/95/97/1027689597.db2.gz YXDKUZCFKIYXTD-SFTDATJTSA-N 2 0 321.468 3.665 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000577073347 1027698456 /nfs/dbraw/zinc/69/84/56/1027698456.db2.gz OOPVFNASLCGYRN-STQMWFEESA-N 2 0 304.434 3.866 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000527519332 1027742644 /nfs/dbraw/zinc/74/26/44/1027742644.db2.gz VABKEXZOBJVBAQ-ZOBORPQBSA-N 2 0 312.910 3.825 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000562960062 1027827095 /nfs/dbraw/zinc/82/70/95/1027827095.db2.gz KUNFANHWVSVWRU-OLZOCXBDSA-N 2 0 317.260 3.622 20 0 DHADRP C[C@H]([NH2+]CCc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000562960284 1027828286 /nfs/dbraw/zinc/82/82/86/1027828286.db2.gz NLKYOQLZZPSFLF-WCQYABFASA-N 2 0 301.261 3.514 20 0 DHADRP FC(F)(F)c1sccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000527699547 1027835470 /nfs/dbraw/zinc/83/54/70/1027835470.db2.gz HXOOOPNOIDOJRE-UHFFFAOYSA-N 2 0 318.408 3.731 20 0 DHADRP CCOC1CC([N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001170722190 1027839111 /nfs/dbraw/zinc/83/91/11/1027839111.db2.gz FDHNBDYWHAPQEV-UHFFFAOYSA-N 2 0 316.489 3.672 20 0 DHADRP Cc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527680622 1027842586 /nfs/dbraw/zinc/84/25/86/1027842586.db2.gz AGGUVAJHRODNQZ-NQIIRXRSSA-N 2 0 323.484 3.780 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000577795792 1027933595 /nfs/dbraw/zinc/93/35/95/1027933595.db2.gz VJBXGXIQEGCKCD-KRWDZBQOSA-N 2 0 320.452 3.533 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OCC ZINC000527931692 1027989033 /nfs/dbraw/zinc/98/90/33/1027989033.db2.gz NCLSJVWWEQDCSV-BHIYHBOVSA-N 2 0 310.526 3.824 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000563361866 1028017959 /nfs/dbraw/zinc/01/79/59/1028017959.db2.gz SPWXZUPFZWXOFX-GOSISDBHSA-N 2 0 323.484 3.899 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000365967441 1028035622 /nfs/dbraw/zinc/03/56/22/1028035622.db2.gz MDHHFJZQSLOLIH-LJQANCHMSA-N 2 0 318.530 3.550 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccn2)cc1 ZINC000578083208 1028044276 /nfs/dbraw/zinc/04/42/76/1028044276.db2.gz OXDUWZDZUFCIBL-HBFSDRIKSA-N 2 0 309.457 3.533 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000578617378 1028195104 /nfs/dbraw/zinc/19/51/04/1028195104.db2.gz JWTMJFFWDQUOJL-KFKAGJAMSA-N 2 0 323.484 3.911 20 0 DHADRP CN(CCC[NH+]1CCCC1)Cc1cc(Cl)nc2ccccc12 ZINC000799175230 1028237393 /nfs/dbraw/zinc/23/73/93/1028237393.db2.gz XDGYOLUJFDDGCO-UHFFFAOYSA-N 2 0 317.864 3.806 20 0 DHADRP COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc2ccccc21 ZINC000449030903 1028269677 /nfs/dbraw/zinc/26/96/77/1028269677.db2.gz SUWQVBCGJYRQAH-CRAIPNDOSA-N 2 0 312.457 3.763 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c(OC)cccc23)C1 ZINC000449038372 1028280664 /nfs/dbraw/zinc/28/06/64/1028280664.db2.gz UDDFESFXOOQKCH-MRXNPFEDSA-N 2 0 312.457 3.622 20 0 DHADRP c1cc2cccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2o1 ZINC000449047669 1028312192 /nfs/dbraw/zinc/31/21/92/1028312192.db2.gz OCEWCIKLWGHZFY-VQIMIIECSA-N 2 0 310.441 3.882 20 0 DHADRP C[N@H+](C[C@@H]1CC12CC[NH+]([C@@H]1C[C@H]1c1ccccc1)CC2)C1CC1 ZINC000368262506 1028326509 /nfs/dbraw/zinc/32/65/09/1028326509.db2.gz YCGUQKNLNQBQGQ-YSIASYRMSA-N 2 0 310.485 3.739 20 0 DHADRP CN1CC[C@@H](C[N@H+](C)[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccnc1 ZINC000368262616 1028326648 /nfs/dbraw/zinc/32/66/48/1028326648.db2.gz ZLJCVMQNGKGVKJ-BURNTYAHSA-N 2 0 321.468 3.562 20 0 DHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000368260848 1028326823 /nfs/dbraw/zinc/32/68/23/1028326823.db2.gz NNPMURKBHQGMSH-NHCUHLMSSA-N 2 0 321.468 3.786 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000449087212 1028327062 /nfs/dbraw/zinc/32/70/62/1028327062.db2.gz UZYVGJSKLTYBGC-MRXNPFEDSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCc2cccnc2)CC1 ZINC000449075921 1028339655 /nfs/dbraw/zinc/33/96/55/1028339655.db2.gz OBUVZIXVWVCFGO-UHFFFAOYSA-N 2 0 317.521 3.893 20 0 DHADRP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000579197313 1028348168 /nfs/dbraw/zinc/34/81/68/1028348168.db2.gz ZELKXDITSKNQFO-LJQANCHMSA-N 2 0 302.437 3.667 20 0 DHADRP CC[N@@H+]1CCC[C@@H](CNCc2cc3ccccc3cc2OC)C1 ZINC000449109352 1028359606 /nfs/dbraw/zinc/35/96/06/1028359606.db2.gz YJYJRENJJOQBIY-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449094752 1028368723 /nfs/dbraw/zinc/36/87/23/1028368723.db2.gz TYNVBGPTZYCBNK-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000449120113 1028374858 /nfs/dbraw/zinc/37/48/58/1028374858.db2.gz BQZMDJCRBWTSGI-PMACEKPBSA-N 2 0 312.501 3.863 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCC1 ZINC000449125226 1028380138 /nfs/dbraw/zinc/38/01/38/1028380138.db2.gz RBMZEZARKBVVDF-AZUAARDMSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)COc1ccccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000449130895 1028385560 /nfs/dbraw/zinc/38/55/60/1028385560.db2.gz IPKGHFUKNFAAJY-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449175984 1028417912 /nfs/dbraw/zinc/41/79/12/1028417912.db2.gz LLJVXGOFRIXYBY-OKZBNKHCSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449159708 1028419953 /nfs/dbraw/zinc/41/99/53/1028419953.db2.gz IJSJXLQDWXUEMN-KYJSFNMBSA-N 2 0 318.486 3.945 20 0 DHADRP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449189819 1028427340 /nfs/dbraw/zinc/42/73/40/1028427340.db2.gz MYJKRBIDFGLESD-KRWDZBQOSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000449192326 1028430876 /nfs/dbraw/zinc/43/08/76/1028430876.db2.gz UMLJLDMMLKZUMS-QAQDUYKDSA-N 2 0 324.553 3.806 20 0 DHADRP Fc1ccc(CC[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000579656010 1028460637 /nfs/dbraw/zinc/46/06/37/1028460637.db2.gz SOFBFPQIZJUCPI-UHFFFAOYSA-N 2 0 310.844 3.628 20 0 DHADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000449250045 1028475420 /nfs/dbraw/zinc/47/54/20/1028475420.db2.gz KRHXTBUROKGDIA-JTDSTZFVSA-N 2 0 301.478 3.712 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449252360 1028475507 /nfs/dbraw/zinc/47/55/07/1028475507.db2.gz QLTICLVXKRAIFR-IEBWSBKVSA-N 2 0 318.892 3.903 20 0 DHADRP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449274083 1028501542 /nfs/dbraw/zinc/50/15/42/1028501542.db2.gz AQTMOEDHRIRWNL-DLBZAZTESA-N 2 0 310.526 3.823 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000564823893 1028506150 /nfs/dbraw/zinc/50/61/50/1028506150.db2.gz NGWWFECOYHIUOC-IRXDYDNUSA-N 2 0 318.367 3.565 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000449295768 1028516276 /nfs/dbraw/zinc/51/62/76/1028516276.db2.gz VCDJPJLNUNAZIK-HNNXBMFYSA-N 2 0 322.443 3.717 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3ncc(C(C)(C)C)s3)C2)CC1 ZINC000369703939 1028519697 /nfs/dbraw/zinc/51/96/97/1028519697.db2.gz OHUXVTPMKABLDN-UHFFFAOYSA-N 2 0 321.534 3.748 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc4ccccc4c3)C2)CC1 ZINC000369719734 1028520852 /nfs/dbraw/zinc/52/08/52/1028520852.db2.gz ASMAPQAFKWIBNH-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP COc1cc2ccccc2cc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000449327813 1028539008 /nfs/dbraw/zinc/53/90/08/1028539008.db2.gz CTDSOGIGERNIKX-ICSRJNTNSA-N 2 0 324.468 3.765 20 0 DHADRP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc2ccccc21 ZINC000449330942 1028541260 /nfs/dbraw/zinc/54/12/60/1028541260.db2.gz MSKMHJAEBDUGIG-AZUAARDMSA-N 2 0 324.468 3.765 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000449320784 1028552124 /nfs/dbraw/zinc/55/21/24/1028552124.db2.gz POPLVXOLJIIYII-APWZRJJASA-N 2 0 300.490 3.860 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000565227199 1028560977 /nfs/dbraw/zinc/56/09/77/1028560977.db2.gz TVKILVFKMXSXDK-HNKHHVNMSA-N 2 0 312.379 3.811 20 0 DHADRP CC(C)c1nccn1[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000370494810 1028609731 /nfs/dbraw/zinc/60/97/31/1028609731.db2.gz KSPZZNRJZHJLIF-MSOLQXFVSA-N 2 0 318.509 3.518 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000370671271 1028634421 /nfs/dbraw/zinc/63/44/21/1028634421.db2.gz PENLBHFKBRUNFQ-NWANDNLSSA-N 2 0 308.466 3.825 20 0 DHADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000370724198 1028643060 /nfs/dbraw/zinc/64/30/60/1028643060.db2.gz XIWXCISOTSFEHT-KANFNMMFSA-N 2 0 303.494 3.879 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccncc2)[C@H](C)C1 ZINC000371207745 1028678088 /nfs/dbraw/zinc/67/80/88/1028678088.db2.gz FNOBYAKPRHFZNW-OXQOHEQNSA-N 2 0 309.457 3.569 20 0 DHADRP CCC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)(C)C ZINC000449465547 1028683000 /nfs/dbraw/zinc/68/30/00/1028683000.db2.gz DSKWPJMKAYULDG-QGZVFWFLSA-N 2 0 300.450 3.880 20 0 DHADRP Cc1ncsc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449467212 1028684607 /nfs/dbraw/zinc/68/46/07/1028684607.db2.gz KYYGLUNJDYGMCA-RHSMWYFYSA-N 2 0 321.534 3.627 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000566230297 1028691564 /nfs/dbraw/zinc/69/15/64/1028691564.db2.gz ZWYMLGJXWDNGHO-ZIAGYGMSSA-N 2 0 318.411 3.812 20 0 DHADRP CCC(CC)(CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000566481150 1028732825 /nfs/dbraw/zinc/73/28/25/1028732825.db2.gz FULFTFLUPSEVDX-QXAKKESOSA-N 2 0 317.521 3.756 20 0 DHADRP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000449513001 1028738559 /nfs/dbraw/zinc/73/85/59/1028738559.db2.gz RCXAWSSUCIVBOZ-PMACEKPBSA-N 2 0 324.553 3.662 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000449529786 1028739308 /nfs/dbraw/zinc/73/93/08/1028739308.db2.gz ZWGVHTZVBGYPNN-UHFFFAOYSA-N 2 0 314.420 3.541 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000449529422 1028740568 /nfs/dbraw/zinc/74/05/68/1028740568.db2.gz WZWOPSFVOQFARC-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2c1C ZINC000449528123 1028759158 /nfs/dbraw/zinc/75/91/58/1028759158.db2.gz NFWFRGVIAOMJPG-UHFFFAOYSA-N 2 0 301.478 3.995 20 0 DHADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc2ccccc21 ZINC000449561448 1028801529 /nfs/dbraw/zinc/80/15/29/1028801529.db2.gz VBSQNAOSRYEWJI-AYHJJNSGSA-N 2 0 310.441 3.563 20 0 DHADRP CC1(C)SC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000566986513 1028813977 /nfs/dbraw/zinc/81/39/77/1028813977.db2.gz GECJQLSTVXAUCK-XMTFNYHQSA-N 2 0 316.514 3.666 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@]2(C)CCCS2)C1 ZINC000628156281 1028910968 /nfs/dbraw/zinc/91/09/68/1028910968.db2.gz KDMATFAJHSQQTL-KZNAEPCWSA-N 2 0 310.551 3.859 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000816556053 1028941630 /nfs/dbraw/zinc/94/16/30/1028941630.db2.gz YNIDSNVNPBEMGR-IVMQYODDSA-N 2 0 316.489 3.710 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000567894562 1028970653 /nfs/dbraw/zinc/97/06/53/1028970653.db2.gz DPUZITPQIHUSPL-ZDUSSCGKSA-N 2 0 320.383 3.906 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000449762326 1028971376 /nfs/dbraw/zinc/97/13/76/1028971376.db2.gz HHCYARSUUMMXAO-UHFFFAOYSA-N 2 0 320.440 3.825 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1c(Cl)cccc1Cl ZINC000568248719 1029031194 /nfs/dbraw/zinc/03/11/94/1029031194.db2.gz YQFXRTIVXCYPOO-IJLUTSLNSA-N 2 0 301.261 3.956 20 0 DHADRP CC[C@@H](C)[C@@H](C)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373482329 1029056736 /nfs/dbraw/zinc/05/67/36/1029056736.db2.gz GNAOKCYDESKWMM-HGWMRPEMSA-N 2 0 306.416 3.816 20 0 DHADRP C[N@@H+](Cc1cccc(N)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719895000 1029077761 /nfs/dbraw/zinc/07/77/61/1029077761.db2.gz KIISZJHTSPJCSH-UHFFFAOYSA-N 2 0 323.484 3.613 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000373696607 1029115950 /nfs/dbraw/zinc/11/59/50/1029115950.db2.gz MKFGVNOBYXDJGT-FUMNGEBKSA-N 2 0 322.537 3.826 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000373696688 1029117815 /nfs/dbraw/zinc/11/78/15/1029117815.db2.gz MYNBKHVPFWPHSN-HSALFYBXSA-N 2 0 322.537 3.683 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCc2cncs2)CC1)CC(C)C ZINC000411447652 1029131049 /nfs/dbraw/zinc/13/10/49/1029131049.db2.gz QPGITIWAFSUTOI-UHFFFAOYSA-N 2 0 323.550 3.766 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@H]2CCN(C)[C@H]2c2cccs2)CCC1 ZINC000373780353 1029134119 /nfs/dbraw/zinc/13/41/19/1029134119.db2.gz LWJDOOGMOLBLAF-ZMSDIMECSA-N 2 0 322.518 3.678 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1sccc1Br ZINC000568856692 1029137746 /nfs/dbraw/zinc/13/77/46/1029137746.db2.gz TVBRXFNMMFYUDK-NXEZZACHSA-N 2 0 305.285 3.679 20 0 DHADRP CC(C)(C)[C@@H](CCO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411491388 1029140150 /nfs/dbraw/zinc/14/01/50/1029140150.db2.gz PUODQALCXDNHTN-LJQANCHMSA-N 2 0 318.505 3.559 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1 ZINC000568920708 1029144704 /nfs/dbraw/zinc/14/47/04/1029144704.db2.gz QOMYFFCSNOKKSJ-WTLGNFPFSA-N 2 0 304.478 3.506 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000569055200 1029168955 /nfs/dbraw/zinc/16/89/55/1029168955.db2.gz FDOKZJJSUYXXKC-GGPKGHCWSA-N 2 0 323.569 3.740 20 0 DHADRP c1ccc2c(c1)CC(C[NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC000569160973 1029185531 /nfs/dbraw/zinc/18/55/31/1029185531.db2.gz BPJBJUVRSGUODI-UHFFFAOYSA-N 2 0 312.501 3.646 20 0 DHADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)C2)cc1 ZINC000817898114 1029269005 /nfs/dbraw/zinc/26/90/05/1029269005.db2.gz ZZBKHXKDHZPFQH-ORYQWCPZSA-N 2 0 321.468 3.698 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000569835004 1029272858 /nfs/dbraw/zinc/27/28/58/1029272858.db2.gz VOHLQENFUORMHX-GOSISDBHSA-N 2 0 318.505 3.963 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000817909031 1029273572 /nfs/dbraw/zinc/27/35/72/1029273572.db2.gz WMEKNAIRFSDVKZ-QWHCGFSZSA-N 2 0 317.864 3.784 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(F)ccc1F ZINC000817947913 1029286269 /nfs/dbraw/zinc/28/62/69/1029286269.db2.gz FIXOIDGJJDQPHX-IBGZPJMESA-N 2 0 318.411 3.953 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cc1F ZINC000817946904 1029287114 /nfs/dbraw/zinc/28/71/14/1029287114.db2.gz HPCVMZAGLBKOCI-SFHVURJKSA-N 2 0 304.384 3.707 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000817948305 1029290042 /nfs/dbraw/zinc/29/00/42/1029290042.db2.gz XDLGSQXLUMQPHL-ZDUSSCGKSA-N 2 0 320.383 3.640 20 0 DHADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948249 1029290236 /nfs/dbraw/zinc/29/02/36/1029290236.db2.gz HJUAGPDMKZKTAZ-FQEVSTJZSA-N 2 0 308.469 3.972 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000817949185 1029290295 /nfs/dbraw/zinc/29/02/95/1029290295.db2.gz NGSIEFLUGHGBHF-SFHVURJKSA-N 2 0 300.833 3.618 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2ccsc2S1 ZINC000817948480 1029290641 /nfs/dbraw/zinc/29/06/41/1029290641.db2.gz KMULPFGOVVNLEK-LRDDRELGSA-N 2 0 318.511 3.965 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817951045 1029293740 /nfs/dbraw/zinc/29/37/40/1029293740.db2.gz ANPCVPIEUDDHAQ-IINYFYTJSA-N 2 0 300.418 3.706 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cnc2ccsc2c1 ZINC000817950542 1029295004 /nfs/dbraw/zinc/29/50/04/1029295004.db2.gz ZPTJXVQOGCZYKL-ZDUSSCGKSA-N 2 0 311.454 3.648 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC000412018395 1029295334 /nfs/dbraw/zinc/29/53/34/1029295334.db2.gz BJKDGLRVWNQNLC-QGZVFWFLSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817954368 1029295950 /nfs/dbraw/zinc/29/59/50/1029295950.db2.gz CDWJWKNRDGEUSN-NWDGAFQWSA-N 2 0 300.418 3.652 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000817931066 1029304491 /nfs/dbraw/zinc/30/44/91/1029304491.db2.gz IARQDSGWBMGAAD-LSTHTHJFSA-N 2 0 312.457 3.568 20 0 DHADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC000817979740 1029316689 /nfs/dbraw/zinc/31/66/89/1029316689.db2.gz DRZMBLDEZBPUSG-ROUUACIJSA-N 2 0 302.462 3.585 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817981721 1029320177 /nfs/dbraw/zinc/32/01/77/1029320177.db2.gz NEEYTFJULQQNLL-GMXVVIOVSA-N 2 0 300.418 3.779 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCCO2 ZINC000817985524 1029322630 /nfs/dbraw/zinc/32/26/30/1029322630.db2.gz LLHIAPDKSREARC-QZTJIDSGSA-N 2 0 314.473 3.727 20 0 DHADRP c1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000629547786 1029364458 /nfs/dbraw/zinc/36/44/58/1029364458.db2.gz CVQKLTAZSCUASE-SLFFLAALSA-N 2 0 321.468 3.759 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000629549637 1029365079 /nfs/dbraw/zinc/36/50/79/1029365079.db2.gz SZPBABBDFDSWIF-KKBFJZEXSA-N 2 0 304.865 3.695 20 0 DHADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2ccccc2)c2ccccc12 ZINC001170899943 1029366594 /nfs/dbraw/zinc/36/65/94/1029366594.db2.gz NNVHLZUQZANWDY-HXUWFJFHSA-N 2 0 305.425 3.942 20 0 DHADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629560631 1029369878 /nfs/dbraw/zinc/36/98/78/1029369878.db2.gz GDILDSXFBGIVPV-KBMXLJTQSA-N 2 0 312.379 3.523 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629565881 1029371383 /nfs/dbraw/zinc/37/13/83/1029371383.db2.gz XXMCENNNBKAQFR-DOTOQJQBSA-N 2 0 322.374 3.799 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000450326082 1029377935 /nfs/dbraw/zinc/37/79/35/1029377935.db2.gz XBRSVNAUTNZTFR-IAGOWNOFSA-N 2 0 314.464 3.866 20 0 DHADRP c1cc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000529534537 1029394735 /nfs/dbraw/zinc/39/47/35/1029394735.db2.gz FGSVLNPTNUKWBP-FXAWDEMLSA-N 2 0 309.457 3.617 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529539224 1029401341 /nfs/dbraw/zinc/40/13/41/1029401341.db2.gz UQLLRWXKZWOYBX-DOTOQJQBSA-N 2 0 322.443 3.574 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529557752 1029414651 /nfs/dbraw/zinc/41/46/51/1029414651.db2.gz OJERHTATTNISDK-HOCLYGCPSA-N 2 0 308.416 3.532 20 0 DHADRP C[NH2+][C@H](CO)c1cccc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)c1 ZINC000629702889 1029430652 /nfs/dbraw/zinc/43/06/52/1029430652.db2.gz VYWYXJGBWPWZNF-HRAATJIYSA-N 2 0 324.468 3.591 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170918905 1029449411 /nfs/dbraw/zinc/44/94/11/1029449411.db2.gz XVTLKAYDODPHJA-BDVYOWHSSA-N 2 0 320.908 3.907 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000389962302 1029500785 /nfs/dbraw/zinc/50/07/85/1029500785.db2.gz JISHQIGZENBAQD-CDHQVMDDSA-N 2 0 310.441 3.716 20 0 DHADRP C[N@H+](C[C@H]1CCC(F)(F)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450637660 1029591003 /nfs/dbraw/zinc/59/10/03/1029591003.db2.gz HOEWKPSRUPYUKU-INIZCTEOSA-N 2 0 323.431 3.665 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccco1 ZINC000820809960 1029769245 /nfs/dbraw/zinc/76/92/45/1029769245.db2.gz LVOKPLDVVDDVDN-IBGZPJMESA-N 2 0 312.457 3.803 20 0 DHADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCOC3(CCCCC3)C1)C2 ZINC000820822806 1029772271 /nfs/dbraw/zinc/77/22/71/1029772271.db2.gz KPOSFOGUZOFDQE-WELJNPPOSA-N 2 0 318.505 3.616 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC/C=C/c2ccc(Br)cc2)C1 ZINC000530214291 1029785075 /nfs/dbraw/zinc/78/50/75/1029785075.db2.gz XDABDAPRWCNTRJ-TZNPDICFSA-N 2 0 323.278 3.712 20 0 DHADRP Cc1cnccc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000530216416 1029785681 /nfs/dbraw/zinc/78/56/81/1029785681.db2.gz BGNVKAGYPJAJIC-SFTDATJTSA-N 2 0 323.484 3.562 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000530218843 1029786554 /nfs/dbraw/zinc/78/65/54/1029786554.db2.gz XOUPLYSAUCWEHV-HYVNUMGLSA-N 2 0 304.865 3.850 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3cccc(F)c3C2)CC1(C)C ZINC001170960933 1029822716 /nfs/dbraw/zinc/82/27/16/1029822716.db2.gz JHXXGSVGTRZATN-HNNXBMFYSA-N 2 0 318.480 3.924 20 0 DHADRP CCSCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000121808525 1029860088 /nfs/dbraw/zinc/86/00/88/1029860088.db2.gz HHYFLMMGECPEIG-AEFFLSMTSA-N 2 0 306.519 3.724 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170977623 1029938682 /nfs/dbraw/zinc/93/86/82/1029938682.db2.gz YGFLEZCXENGIBQ-SFHVURJKSA-N 2 0 318.480 3.785 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(Cl)cc2)C[C@H]1C ZINC000530662791 1029949060 /nfs/dbraw/zinc/94/90/60/1029949060.db2.gz BVHUZHCXJYXQIM-WBVHZDCISA-N 2 0 324.896 3.914 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000530663126 1029950128 /nfs/dbraw/zinc/95/01/28/1029950128.db2.gz LXWSPMIPDTUEIP-MRXNPFEDSA-N 2 0 324.896 3.773 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)c(O)c(C)c2)c1 ZINC000290227630 1029956929 /nfs/dbraw/zinc/95/69/29/1029956929.db2.gz FPYYHMLVXPQTLM-UHFFFAOYSA-N 2 0 312.457 3.751 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000865716935 1029986972 /nfs/dbraw/zinc/98/69/72/1029986972.db2.gz IPZRCAXSEXRBCN-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000865716605 1029987238 /nfs/dbraw/zinc/98/72/38/1029987238.db2.gz AZBZSVDMVUCINP-UHFFFAOYSA-N 2 0 318.505 3.514 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000865765155 1030013475 /nfs/dbraw/zinc/01/34/75/1030013475.db2.gz YFULGEKEIZHIGJ-UHFFFAOYSA-N 2 0 309.523 3.793 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000865765519 1030014948 /nfs/dbraw/zinc/01/49/48/1030014948.db2.gz YNXBNMAZTZTWLN-FGZQJIAISA-N 2 0 306.416 3.960 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000290447240 1030053060 /nfs/dbraw/zinc/05/30/60/1030053060.db2.gz MCWQAICEPCHALY-OXQOHEQNSA-N 2 0 309.457 3.521 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccns2)cc1 ZINC000924584530 1030129251 /nfs/dbraw/zinc/12/92/51/1030129251.db2.gz GNMQGROIRYUKOO-AWEZNQCLSA-N 2 0 303.475 3.836 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866212817 1030163185 /nfs/dbraw/zinc/16/31/85/1030163185.db2.gz WLUSPQVSRBZLBD-ZVZYQTTQSA-N 2 0 308.441 3.558 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+]C1CCN(C2CC2)CC1 ZINC000866220231 1030167191 /nfs/dbraw/zinc/16/71/91/1030167191.db2.gz DGOCIEGSTRCGRW-MRXNPFEDSA-N 2 0 323.484 3.772 20 0 DHADRP C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccnn1C1CCC1 ZINC000924727586 1030173756 /nfs/dbraw/zinc/17/37/56/1030173756.db2.gz BVVQBZGZZDEBHA-PBHICJAKSA-N 2 0 315.465 3.570 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924846767 1030204787 /nfs/dbraw/zinc/20/47/87/1030204787.db2.gz PKVDGBGKPPOYQH-QGZVFWFLSA-N 3 0 317.521 3.663 20 0 DHADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000924854502 1030206692 /nfs/dbraw/zinc/20/66/92/1030206692.db2.gz HNAAWDZNYNJLFG-PMACEKPBSA-N 2 0 322.537 3.682 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924857162 1030209114 /nfs/dbraw/zinc/20/91/14/1030209114.db2.gz ZGWVEBGTPJXCHA-FQEVSTJZSA-N 2 0 323.440 3.849 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000924858054 1030210673 /nfs/dbraw/zinc/21/06/73/1030210673.db2.gz KXJFHBUYNFOJTN-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(O)cc(F)c2)c1 ZINC000924960002 1030233534 /nfs/dbraw/zinc/23/35/34/1030233534.db2.gz QSOVUMKFGHKBND-CQSZACIVSA-N 2 0 316.420 3.834 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000924955304 1030234435 /nfs/dbraw/zinc/23/44/35/1030234435.db2.gz NLKCEKOXHFVDLC-OAQYLSRUSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@H]1CC2(CC([NH2+]CCCCCCC[NH+]3CCCC3)C2)CO1 ZINC000924958766 1030234620 /nfs/dbraw/zinc/23/46/20/1030234620.db2.gz LQACNIBBIRPGQO-VIQWUECVSA-N 2 0 308.510 3.580 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000924955286 1030235202 /nfs/dbraw/zinc/23/52/02/1030235202.db2.gz NEWMCPLRTIPFSA-KRWDZBQOSA-N 2 0 322.880 3.623 20 0 DHADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925082243 1030266902 /nfs/dbraw/zinc/26/69/02/1030266902.db2.gz IRSCRDMLXDMSTG-LIRRHRJNSA-N 2 0 324.472 3.575 20 0 DHADRP Cc1ccccc1C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000925142582 1030283117 /nfs/dbraw/zinc/28/31/17/1030283117.db2.gz OULSYYGEWCSGHR-UHOSZYNNSA-N 2 0 312.457 3.944 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1O ZINC000866469662 1030310724 /nfs/dbraw/zinc/31/07/24/1030310724.db2.gz PDWGWMNDWUOHFQ-OAHLLOKOSA-N 2 0 320.477 3.562 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925230585 1030315420 /nfs/dbraw/zinc/31/54/20/1030315420.db2.gz YLDMJQBNZOATNC-IGEOTXOUSA-N 2 0 305.466 3.739 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000533393902 1030327090 /nfs/dbraw/zinc/32/70/90/1030327090.db2.gz YIGUOGCZSZWFGP-YJBOKZPZSA-N 2 0 324.896 3.771 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)CCC2 ZINC000866516390 1030341645 /nfs/dbraw/zinc/34/16/45/1030341645.db2.gz QYCRZFMMKHLUMK-FVRSWCFKSA-N 2 0 321.534 3.935 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000866517622 1030343207 /nfs/dbraw/zinc/34/32/07/1030343207.db2.gz KMTQHRTVOLGUAN-JLAWEPINSA-N 2 0 301.478 3.775 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H](c2ccccc2)c2cccnc2)C[C@@H]([NH3+])C1 ZINC000925477283 1030372232 /nfs/dbraw/zinc/37/22/32/1030372232.db2.gz JAYSRRFZOWMUCK-CEXWTWQISA-N 2 0 309.457 3.667 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000925495232 1030377325 /nfs/dbraw/zinc/37/73/25/1030377325.db2.gz NHSPKVKGLOFAKK-LJQANCHMSA-N 2 0 307.441 3.780 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925508483 1030381369 /nfs/dbraw/zinc/38/13/69/1030381369.db2.gz GOIZQGNDKKWTLC-IRXDYDNUSA-N 2 0 324.415 3.546 20 0 DHADRP Cc1cccc2oc(CC[NH2+][C@H](CCC[NH3+])c3ccccc3)nc21 ZINC000925527589 1030386712 /nfs/dbraw/zinc/38/67/12/1030386712.db2.gz OQCFJHRYUXDPBQ-QGZVFWFLSA-N 2 0 323.440 3.749 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(-c2cccnc2)cc1 ZINC000925529377 1030386889 /nfs/dbraw/zinc/38/68/89/1030386889.db2.gz IZUNJWKLZJVYSC-ZOCIIQOWSA-N 2 0 307.441 3.669 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000823747997 1030388836 /nfs/dbraw/zinc/38/88/36/1030388836.db2.gz PYUBANRSNQCSBJ-OALUTQOASA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000866608943 1030398157 /nfs/dbraw/zinc/39/81/57/1030398157.db2.gz OOQSNNPXVXMQHQ-HXUWFJFHSA-N 2 0 315.505 3.645 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C12CCC2 ZINC000925571743 1030408556 /nfs/dbraw/zinc/40/85/56/1030408556.db2.gz NIHZLFFVBGXTSI-HOTGVXAUSA-N 2 0 319.518 3.593 20 0 DHADRP C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925646984 1030432470 /nfs/dbraw/zinc/43/24/70/1030432470.db2.gz XJIPLCMZNUSMOU-FOIQADDNSA-N 2 0 309.457 3.945 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C12CCC2 ZINC000925654546 1030439725 /nfs/dbraw/zinc/43/97/25/1030439725.db2.gz FTADDZLVIPULQF-DGNOSDGRSA-N 2 0 308.828 3.527 20 0 DHADRP CSC(C)(C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000823943838 1030440314 /nfs/dbraw/zinc/44/03/14/1030440314.db2.gz NRHNCUDQWAQBQW-INIZCTEOSA-N 2 0 320.546 3.813 20 0 DHADRP C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925653960 1030441002 /nfs/dbraw/zinc/44/10/02/1030441002.db2.gz CWTBWHQDKICSMF-ZYSHUDEJSA-N 2 0 318.505 3.993 20 0 DHADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925663748 1030446467 /nfs/dbraw/zinc/44/64/67/1030446467.db2.gz VRHLPDZVDANRJK-IPMKNSEASA-N 2 0 318.505 3.520 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cc2ccccc2s1 ZINC000925677979 1030450959 /nfs/dbraw/zinc/45/09/59/1030450959.db2.gz RRYGUYMJGCZHNT-FLOBVVSRSA-N 2 0 300.471 3.549 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](c3ccccc3Cl)C1)[NH2+]2 ZINC000925677044 1030451563 /nfs/dbraw/zinc/45/15/63/1030451563.db2.gz VKKKCUSVXCXOQQ-NAKMTTOXSA-N 2 0 304.865 3.705 20 0 DHADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1(Cl)Cl ZINC000925694992 1030455686 /nfs/dbraw/zinc/45/56/86/1030455686.db2.gz VQLJLFSTFXKOLO-KKUMJFAQSA-N 2 0 319.320 3.718 20 0 DHADRP C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000925703103 1030458239 /nfs/dbraw/zinc/45/82/39/1030458239.db2.gz CCCKDFKPIJINHS-IRXDYDNUSA-N 2 0 318.505 3.588 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000925706656 1030460733 /nfs/dbraw/zinc/46/07/33/1030460733.db2.gz JZVRGSCDSBFMDE-JTQLQIEISA-N 2 0 304.381 3.679 20 0 DHADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)F ZINC000925734976 1030468781 /nfs/dbraw/zinc/46/87/81/1030468781.db2.gz WHTBBLSRLJCBKB-KDOFPFPSSA-N 2 0 324.415 3.513 20 0 DHADRP CC[C@H]([NH3+])CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246303925 1030469275 /nfs/dbraw/zinc/46/92/75/1030469275.db2.gz BFHOXNSDGSAALL-STQMWFEESA-N 2 0 301.261 3.568 20 0 DHADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925735591 1030470162 /nfs/dbraw/zinc/47/01/62/1030470162.db2.gz GWHAFZTVQSFREU-GBESFXJTSA-N 2 0 314.473 3.583 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000925736086 1030472040 /nfs/dbraw/zinc/47/20/40/1030472040.db2.gz YMYBJMGLHOKLJC-XDQVBPFNSA-N 2 0 304.400 3.627 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000925757908 1030485581 /nfs/dbraw/zinc/48/55/81/1030485581.db2.gz WGGMQSHIJWLZCK-KBPBESRZSA-N 2 0 317.502 3.992 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000925781105 1030495844 /nfs/dbraw/zinc/49/58/44/1030495844.db2.gz HIVQBUPGPOXXAW-DZGCQCFKSA-N 2 0 316.823 3.872 20 0 DHADRP CC[C@@H]([NH3+])CC[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246309591 1030498490 /nfs/dbraw/zinc/49/84/90/1030498490.db2.gz VLYBOFVAVOMRNI-ZYHUDNBSSA-N 2 0 304.812 3.656 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OC(F)F ZINC000925797505 1030499968 /nfs/dbraw/zinc/49/99/68/1030499968.db2.gz HVZMSDBNVXYVID-NFAWXSAZSA-N 2 0 312.404 3.574 20 0 DHADRP CSC1CCC(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925800367 1030501333 /nfs/dbraw/zinc/50/13/33/1030501333.db2.gz GNZVIKQFUHZBAQ-VMWRSERWSA-N 2 0 306.519 3.978 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc3ncccc3c2)c2ccccc21 ZINC000925814691 1030505896 /nfs/dbraw/zinc/50/58/96/1030505896.db2.gz OJZFTBJOKACNFO-UYAOXDASSA-N 2 0 303.409 3.512 20 0 DHADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cccnc1Cl ZINC000925817006 1030509240 /nfs/dbraw/zinc/50/92/40/1030509240.db2.gz LLVGDDGYNJNJAO-CQSZACIVSA-N 2 0 309.885 3.946 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)cn1 ZINC000925817791 1030509804 /nfs/dbraw/zinc/50/98/04/1030509804.db2.gz QTWWBXKJNXVFLL-MRXNPFEDSA-N 2 0 306.498 3.675 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000925829620 1030512838 /nfs/dbraw/zinc/51/28/38/1030512838.db2.gz PKPYMSUHIXRPNN-MWLCHTKSSA-N 2 0 323.239 3.537 20 0 DHADRP c1ccc2ncc(CC[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)cc2c1 ZINC000925834163 1030513958 /nfs/dbraw/zinc/51/39/58/1030513958.db2.gz VSKLXADUGIAUMG-TZIWHRDSSA-N 2 0 323.484 3.535 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838547 1030514637 /nfs/dbraw/zinc/51/46/37/1030514637.db2.gz NETLXQVPLWGINA-DZOHQFGASA-N 2 0 322.443 3.936 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000925879317 1030532584 /nfs/dbraw/zinc/53/25/84/1030532584.db2.gz BKFDEUPBRPUNBC-UPJWGTAASA-N 2 0 319.449 3.727 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000925888986 1030536320 /nfs/dbraw/zinc/53/63/20/1030536320.db2.gz YGEGUWCPIHPJJX-IYJAJMOOSA-N 2 0 316.395 3.675 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)ccc1F ZINC000925887899 1030536402 /nfs/dbraw/zinc/53/64/02/1030536402.db2.gz ORMIKQSIRRSYQP-IYJAJMOOSA-N 2 0 316.395 3.675 20 0 DHADRP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)s1 ZINC000925889167 1030537281 /nfs/dbraw/zinc/53/72/81/1030537281.db2.gz ZPQWCBYODJMNQO-QILLFSRXSA-N 2 0 300.471 3.766 20 0 DHADRP CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccs1 ZINC000925889160 1030537406 /nfs/dbraw/zinc/53/74/06/1030537406.db2.gz ZKQRJSGEJZAQTB-NUJGCVRESA-N 2 0 300.471 3.848 20 0 DHADRP C[N@H+](C1CC1)C1CCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055343 1030553014 /nfs/dbraw/zinc/55/30/14/1030553014.db2.gz FKCOJAIWGMYKAI-KRWDZBQOSA-N 2 0 318.892 3.756 20 0 DHADRP CC[C@@H]1C[C@H](C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000558416028 1030569247 /nfs/dbraw/zinc/56/92/47/1030569247.db2.gz IQUYAILTDVOXAC-WOJBJXKFSA-N 2 0 318.505 3.775 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000558482811 1030597909 /nfs/dbraw/zinc/59/79/09/1030597909.db2.gz NIFCKBUZHDCBQM-LTBFUDJGSA-N 2 0 324.415 3.623 20 0 DHADRP COCC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000926116972 1030623143 /nfs/dbraw/zinc/62/31/43/1030623143.db2.gz UAGRKEFLLCQWNA-YJBOKZPZSA-N 2 0 316.445 3.770 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119576 1030625450 /nfs/dbraw/zinc/62/54/50/1030625450.db2.gz MOFZAZVHIFUWLH-WNJABXAVSA-N 2 0 308.535 3.656 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926138259 1030630189 /nfs/dbraw/zinc/63/01/89/1030630189.db2.gz LZAMGQZMTVFGHV-BRWVUGGUSA-N 2 0 304.478 3.604 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000247007515 1030669069 /nfs/dbraw/zinc/66/90/69/1030669069.db2.gz LAGAWJWOFNLOJZ-QZTJIDSGSA-N 2 0 318.505 3.966 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000247007502 1030670053 /nfs/dbraw/zinc/67/00/53/1030670053.db2.gz LAGAWJWOFNLOJZ-MSOLQXFVSA-N 2 0 318.505 3.966 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000247077583 1030675392 /nfs/dbraw/zinc/67/53/92/1030675392.db2.gz OQWBLGIHTHYQFU-IAGOWNOFSA-N 2 0 306.498 3.769 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccsc2)[C@H](C)C1 ZINC000248200420 1030722734 /nfs/dbraw/zinc/72/27/34/1030722734.db2.gz YMQYOAMJACKXHL-INMHGKMJSA-N 2 0 310.507 3.536 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013497 1030727476 /nfs/dbraw/zinc/72/74/76/1030727476.db2.gz IQHHIDVERBFUGZ-PZJWPPBQSA-N 2 0 323.484 3.890 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cc3ccccc3[nH]2)CC[NH+](C)CC1 ZINC000926449913 1030744396 /nfs/dbraw/zinc/74/43/96/1030744396.db2.gz XWSCETDIUADPJO-CQSZACIVSA-N 2 0 317.502 3.646 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248443675 1030747537 /nfs/dbraw/zinc/74/75/37/1030747537.db2.gz LQFXPENJOQFSMV-HZPDHXFCSA-N 2 0 317.477 3.560 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc(C[NH+](C)C)c1 ZINC000926518138 1030780247 /nfs/dbraw/zinc/78/02/47/1030780247.db2.gz DTGXKPMHIJSSMK-SWLSCSKDSA-N 2 0 315.288 3.983 20 0 DHADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000249084606 1030786148 /nfs/dbraw/zinc/78/61/48/1030786148.db2.gz IHNHDGFMIZXTGN-UWVAXJGDSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000249152285 1030788713 /nfs/dbraw/zinc/78/87/13/1030788713.db2.gz VCXYKKGGVURINH-UWVAXJGDSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(-c2ccccc2)no1 ZINC000926561407 1030797170 /nfs/dbraw/zinc/79/71/70/1030797170.db2.gz XZYJOUALZATWCI-HNNXBMFYSA-N 2 0 313.445 3.867 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359210612 1030841551 /nfs/dbraw/zinc/84/15/51/1030841551.db2.gz LNJXUVSZZHOYMA-IBGZPJMESA-N 2 0 302.462 3.612 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001171094533 1030881736 /nfs/dbraw/zinc/88/17/36/1030881736.db2.gz LPULCEYVZWQNLY-SFHVURJKSA-N 2 0 306.881 3.663 20 0 DHADRP C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926731966 1030891336 /nfs/dbraw/zinc/89/13/36/1030891336.db2.gz NOCNTQFRWVCWFQ-RZQQEMMASA-N 2 0 312.457 3.521 20 0 DHADRP Cc1ccc(C(F)(F)F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001143676972 1030898336 /nfs/dbraw/zinc/89/83/36/1030898336.db2.gz QFGCMUDJXYZWJI-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802301 1030926386 /nfs/dbraw/zinc/92/63/86/1030926386.db2.gz LBZPVTDAEHCOAU-LEWJYISDSA-N 2 0 321.468 3.665 20 0 DHADRP C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926795487 1030931543 /nfs/dbraw/zinc/93/15/43/1030931543.db2.gz QYDJTHVBYSMNLO-RYGJVYDSSA-N 2 0 316.489 3.604 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000261538142 1031030153 /nfs/dbraw/zinc/03/01/53/1031030153.db2.gz IQCYSMOEFKPERG-QGZVFWFLSA-N 2 0 324.468 3.825 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000927035494 1031043425 /nfs/dbraw/zinc/04/34/25/1031043425.db2.gz ANPSATJGUJQPJQ-CRPOECCBSA-N 2 0 319.880 3.719 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnn(C2CCC2)c1 ZINC000927037291 1031047362 /nfs/dbraw/zinc/04/73/62/1031047362.db2.gz MMFDRRUQLOVNQT-LSJNQWAISA-N 2 0 316.493 3.666 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)[C@H](C)C1 ZINC001171116476 1031050236 /nfs/dbraw/zinc/05/02/36/1031050236.db2.gz QJNDUZKPHPFMCV-CCKFTAQKSA-N 2 0 320.908 3.906 20 0 DHADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000261785671 1031065448 /nfs/dbraw/zinc/06/54/48/1031065448.db2.gz UJSVWVFKVFPJSN-KRWDZBQOSA-N 2 0 304.434 3.725 20 0 DHADRP C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000927068220 1031067378 /nfs/dbraw/zinc/06/73/78/1031067378.db2.gz FYEGPNYGCZOJFY-RYGJVYDSSA-N 2 0 316.489 3.604 20 0 DHADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000359622948 1031069921 /nfs/dbraw/zinc/06/99/21/1031069921.db2.gz UCKBDJKVQXFRKN-QGZVFWFLSA-N 2 0 324.468 3.890 20 0 DHADRP c1ccc([C@@H]2Cc3ccccc3C[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000261879032 1031072356 /nfs/dbraw/zinc/07/23/56/1031072356.db2.gz YHYCVGUCNGBSGT-NRFANRHFSA-N 2 0 306.453 3.786 20 0 DHADRP C[C@@]1(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000262018954 1031091403 /nfs/dbraw/zinc/09/14/03/1031091403.db2.gz MYXMEGLLMHTRNO-MRXNPFEDSA-N 2 0 310.844 3.600 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC1 ZINC000927114133 1031099291 /nfs/dbraw/zinc/09/92/91/1031099291.db2.gz BZIGKYXVIDLNLU-HXUWFJFHSA-N 2 0 316.489 3.545 20 0 DHADRP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCCC2)c(F)c1 ZINC000262220676 1031102037 /nfs/dbraw/zinc/10/20/37/1031102037.db2.gz MOSLBKVBOPVISJ-UHFFFAOYSA-N 2 0 308.416 3.709 20 0 DHADRP COc1ccc(C[N@@H+](Cc2ccccc2)CC2CC[NH2+]CC2)cc1 ZINC000262200042 1031105504 /nfs/dbraw/zinc/10/55/04/1031105504.db2.gz KGZVPERQHVSJDI-UHFFFAOYSA-N 2 0 324.468 3.697 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000162460994 1031182182 /nfs/dbraw/zinc/18/21/82/1031182182.db2.gz JXRPXEVSFZTKAF-QGZVFWFLSA-N 2 0 309.457 3.885 20 0 DHADRP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171132344 1031203410 /nfs/dbraw/zinc/20/34/10/1031203410.db2.gz BUUIMZHJCGTUPF-LJQANCHMSA-N 2 0 318.892 3.756 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(OC)cc1 ZINC000359939319 1031206210 /nfs/dbraw/zinc/20/62/10/1031206210.db2.gz BQVIISZSGFAGMJ-IPMKNSEASA-N 2 0 302.462 3.753 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000359945873 1031210176 /nfs/dbraw/zinc/21/01/76/1031210176.db2.gz XZLCLPUJZSJHFS-BRWVUGGUSA-N 2 0 304.478 3.574 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171140521 1031256852 /nfs/dbraw/zinc/25/68/52/1031256852.db2.gz YNERTBBVXNPZHO-BFHYXJOUSA-N 2 0 313.272 3.710 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000293081362 1031317179 /nfs/dbraw/zinc/31/71/79/1031317179.db2.gz WGQLNFNAQVQYEB-VQTJNVASSA-N 2 0 316.489 3.570 20 0 DHADRP CC(C)O[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000293081366 1031318533 /nfs/dbraw/zinc/31/85/33/1031318533.db2.gz WGQLNFNAQVQYEB-WOJBJXKFSA-N 2 0 316.489 3.570 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(C)C)cc2)C[C@@H]1C ZINC000536658527 1031360942 /nfs/dbraw/zinc/36/09/42/1031360942.db2.gz BVJRZSYJNYNNKR-WMZOPIPTSA-N 2 0 304.478 3.778 20 0 DHADRP COc1ccccc1-c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000536680026 1031377448 /nfs/dbraw/zinc/37/74/48/1031377448.db2.gz WWYYHWMOLFGBGA-AZUAARDMSA-N 2 0 322.452 3.546 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(O)c1F ZINC000872021904 1031406229 /nfs/dbraw/zinc/40/62/29/1031406229.db2.gz FVQZOSIRMUAFKG-HUUCEWRRSA-N 2 0 308.441 3.694 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(O)c1F ZINC000872023832 1031407468 /nfs/dbraw/zinc/40/74/68/1031407468.db2.gz VYZUFVUFLOWAPZ-CABCVRRESA-N 2 0 308.441 3.837 20 0 DHADRP CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000360430049 1031423362 /nfs/dbraw/zinc/42/33/62/1031423362.db2.gz VTDOBSSJKHMIEE-APWZRJJASA-N 2 0 304.478 3.858 20 0 DHADRP C1CCC2(C1)C[C@H]([NH2+]C1CCC([NH+]3CCCCC3)CC1)CCO2 ZINC000872040590 1031426024 /nfs/dbraw/zinc/42/60/24/1031426024.db2.gz ARZNQHGMRVULKM-JLAWEPINSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CS1 ZINC000379650541 1031427149 /nfs/dbraw/zinc/42/71/49/1031427149.db2.gz RXRFEGPHFWSNQG-AHCXZYCDSA-N 2 0 304.503 3.523 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872042639 1031427625 /nfs/dbraw/zinc/42/76/25/1031427625.db2.gz QSDJMUOKINRQIM-RGVPCPSESA-N 2 0 308.510 3.578 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000536847675 1031454908 /nfs/dbraw/zinc/45/49/08/1031454908.db2.gz VYGPIMMFTWSHKK-UFYCRDLUSA-N 2 0 322.537 3.703 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000536883181 1031468835 /nfs/dbraw/zinc/46/88/35/1031468835.db2.gz RPPHPNINFKZPKS-JMSVASOKSA-N 2 0 315.288 3.854 20 0 DHADRP CC(C)n1ccc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156070 1031535859 /nfs/dbraw/zinc/53/58/59/1031535859.db2.gz DHYVDNAWNNHGQN-VQIMIIECSA-N 2 0 318.509 3.584 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1)C1CCCC1 ZINC000872156348 1031536568 /nfs/dbraw/zinc/53/65/68/1031536568.db2.gz ILCLNQZCTATIJM-XCZFOBESSA-N 2 0 320.521 3.564 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)ccn1 ZINC000872156276 1031537752 /nfs/dbraw/zinc/53/77/52/1031537752.db2.gz HEWRNOBEFNEWRL-VQIMIIECSA-N 2 0 301.478 3.510 20 0 DHADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156075 1031538463 /nfs/dbraw/zinc/53/84/63/1031538463.db2.gz DKAABZHRPVNJCH-UXLLHSPISA-N 2 0 305.466 3.664 20 0 DHADRP CCC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000537203208 1031539323 /nfs/dbraw/zinc/53/93/23/1031539323.db2.gz QXYHZVGJQHVYLH-AQNXPRMDSA-N 2 0 300.490 3.986 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1)C1CCCC1 ZINC000872157498 1031540254 /nfs/dbraw/zinc/54/02/54/1031540254.db2.gz OZGAZKYVGBHEAJ-YTQUADARSA-N 2 0 308.510 3.565 20 0 DHADRP CCc1ccc(-c2ccc(C[NH2+]CC3=CC[N@H+](C)CC3)o2)cc1 ZINC000537345848 1031578963 /nfs/dbraw/zinc/57/89/63/1031578963.db2.gz NWEODZWMBBZQOX-UHFFFAOYSA-N 2 0 310.441 3.861 20 0 DHADRP CC[NH+](CC)C[C@H]1CCN(Cc2cnc(-c3ccccc3)o2)C1 ZINC000929747284 1031596935 /nfs/dbraw/zinc/59/69/35/1031596935.db2.gz CPDLQAAHRLGODO-MRXNPFEDSA-N 2 0 313.445 3.505 20 0 DHADRP Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000360881733 1031601671 /nfs/dbraw/zinc/60/16/71/1031601671.db2.gz ATDXVSVBVHSECM-MRXNPFEDSA-N 2 0 313.420 3.747 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000293777762 1031620185 /nfs/dbraw/zinc/62/01/85/1031620185.db2.gz QABZEKTVBHCFII-KUHUBIRLSA-N 2 0 318.892 3.735 20 0 DHADRP CCc1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000929840768 1031623491 /nfs/dbraw/zinc/62/34/91/1031623491.db2.gz HAXSWFBXOIZKDX-INIZCTEOSA-N 2 0 319.493 3.714 20 0 DHADRP COCCN(C)CC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000360944598 1031635418 /nfs/dbraw/zinc/63/54/18/1031635418.db2.gz NZZSILQHCXJBID-IHPCNDPISA-N 2 0 318.505 3.864 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC1CC[NH+](C)CC1)CCCO2 ZINC000361067306 1031708429 /nfs/dbraw/zinc/70/84/29/1031708429.db2.gz ICHMXKPSCCXJTA-IBGZPJMESA-N 2 0 316.489 3.839 20 0 DHADRP Clc1ccccc1C1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873213707 1031759488 /nfs/dbraw/zinc/75/94/88/1031759488.db2.gz NLUOYKBKMUQHIV-UHFFFAOYSA-N 2 0 318.873 3.826 20 0 DHADRP C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210320 1031760086 /nfs/dbraw/zinc/76/00/86/1031760086.db2.gz BYTHIOKGPDFNJS-GWCFXTLKSA-N 2 0 318.408 3.557 20 0 DHADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000873222857 1031764290 /nfs/dbraw/zinc/76/42/90/1031764290.db2.gz DCLVXZIOPSZABV-QGZVFWFLSA-N 2 0 307.507 3.608 20 0 DHADRP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232188 1031767211 /nfs/dbraw/zinc/76/72/11/1031767211.db2.gz MPXWKWHXLQUYOV-QFBILLFUSA-N 2 0 318.509 3.584 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ncc(-c2ccccc2)s1 ZINC000873231550 1031767804 /nfs/dbraw/zinc/76/78/04/1031767804.db2.gz NWYGCJFTWLMHFT-UHFFFAOYSA-N 2 0 303.475 3.761 20 0 DHADRP CC(C)(C)c1nc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873232319 1031768217 /nfs/dbraw/zinc/76/82/17/1031768217.db2.gz FCSKECZPNVRKIO-HNNXBMFYSA-N 2 0 321.534 3.843 20 0 DHADRP c1nc(C2CCC2)sc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232549 1031768513 /nfs/dbraw/zinc/76/85/13/1031768513.db2.gz GQBOFPALHBCYCZ-INIZCTEOSA-N 2 0 319.518 3.813 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)CCO2 ZINC000873238450 1031769237 /nfs/dbraw/zinc/76/92/37/1031769237.db2.gz YWBZVXLUAALBFG-FQEVSTJZSA-N 2 0 322.452 3.508 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873239795 1031769719 /nfs/dbraw/zinc/76/97/19/1031769719.db2.gz CVBRXKSVKUPEPA-NHCYSSNCSA-N 2 0 316.276 3.744 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C2CC2)cc1 ZINC000873244540 1031773057 /nfs/dbraw/zinc/77/30/57/1031773057.db2.gz MQTDPXJAJBMWNW-WMZOPIPTSA-N 2 0 302.462 3.514 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254460 1031775286 /nfs/dbraw/zinc/77/52/86/1031775286.db2.gz UJIRTUFECPQQPA-RTXFEEFZSA-N 2 0 319.449 3.646 20 0 DHADRP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873252908 1031775620 /nfs/dbraw/zinc/77/56/20/1031775620.db2.gz SHQNPLLOPGSDDK-CQJMVSDSSA-N 2 0 316.411 3.641 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(OCc2ccccc2)c1 ZINC000873254233 1031775870 /nfs/dbraw/zinc/77/58/70/1031775870.db2.gz OEYHBRIQXTZLHM-SUMDDJOVSA-N 2 0 310.441 3.654 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H]3C[C@H]([NH3+])C3)cs2)cs1 ZINC000873257987 1031776718 /nfs/dbraw/zinc/77/67/18/1031776718.db2.gz WMDUHROXBJPNQT-GAFUQQFSSA-N 2 0 307.488 3.568 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000873256752 1031777534 /nfs/dbraw/zinc/77/75/34/1031777534.db2.gz QAZTVPGKUULXQS-JVPBZIDWSA-N 2 0 316.395 3.576 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000873268666 1031781102 /nfs/dbraw/zinc/78/11/02/1031781102.db2.gz GECRZEIBQAQVHT-IERDGZPVSA-N 2 0 324.468 3.762 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c2ccccc12 ZINC000873269481 1031781398 /nfs/dbraw/zinc/78/13/98/1031781398.db2.gz HUKGZDVPINYUQX-GJZGRUSLSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000873271734 1031784485 /nfs/dbraw/zinc/78/44/85/1031784485.db2.gz KDHWDMZXASWROS-CVEARBPZSA-N 2 0 309.457 3.787 20 0 DHADRP c1c2cnccc2oc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000845942696 1031785664 /nfs/dbraw/zinc/78/56/64/1031785664.db2.gz RCCIEGZHGRWJBG-UHFFFAOYSA-N 2 0 313.445 3.715 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000873289641 1031790161 /nfs/dbraw/zinc/79/01/61/1031790161.db2.gz KBTAFGKMLALTOK-OXQOHEQNSA-N 2 0 324.468 3.649 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000294199775 1031866933 /nfs/dbraw/zinc/86/69/33/1031866933.db2.gz KRJJENWOHGQSLD-IAGOWNOFSA-N 2 0 304.478 3.567 20 0 DHADRP CC(C)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000361354884 1031882925 /nfs/dbraw/zinc/88/29/25/1031882925.db2.gz YKKGVTITNSXMDK-WOJBJXKFSA-N 2 0 318.505 3.600 20 0 DHADRP CC(C)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000361354882 1031884306 /nfs/dbraw/zinc/88/43/06/1031884306.db2.gz YKKGVTITNSXMDK-UXHICEINSA-N 2 0 318.505 3.600 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000897971555 1031884951 /nfs/dbraw/zinc/88/49/51/1031884951.db2.gz ZMPSSYAJSKPDGN-SQGPQFPESA-N 2 0 315.505 3.645 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000561419156 1031893511 /nfs/dbraw/zinc/89/35/11/1031893511.db2.gz CJJFHSQEEIYOJS-PBHICJAKSA-N 2 0 309.457 3.915 20 0 DHADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000897959090 1031896517 /nfs/dbraw/zinc/89/65/17/1031896517.db2.gz QCWXCPSROWDLEU-FUMNGEBKSA-N 2 0 310.485 3.962 20 0 DHADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)CC23CC3)cc1 ZINC000897959092 1031897973 /nfs/dbraw/zinc/89/79/73/1031897973.db2.gz QCWXCPSROWDLEU-LWYYNNOASA-N 2 0 310.485 3.962 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000846219779 1031933642 /nfs/dbraw/zinc/93/36/42/1031933642.db2.gz WWIPDNBTWKEZEB-INIZCTEOSA-N 2 0 312.910 3.949 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000846219855 1031934189 /nfs/dbraw/zinc/93/41/89/1031934189.db2.gz ZTCSDUXUQLUMEX-PMACEKPBSA-N 2 0 318.505 3.874 20 0 DHADRP c1ccc(CC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000561604248 1031986542 /nfs/dbraw/zinc/98/65/42/1031986542.db2.gz SRWUZFQDLIBCFI-UHFFFAOYSA-N 2 0 312.501 3.816 20 0 DHADRP c1cc([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CC2)ccn1 ZINC000898323045 1032022767 /nfs/dbraw/zinc/02/27/67/1032022767.db2.gz WQHDBXSDYMXZEQ-FQEVSTJZSA-N 2 0 313.489 3.919 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898317715 1032035236 /nfs/dbraw/zinc/03/52/36/1032035236.db2.gz LBSYACUXLCPDRY-LJQANCHMSA-N 2 0 301.478 3.633 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044534133 1032052774 /nfs/dbraw/zinc/05/27/74/1032052774.db2.gz IYNDTNVUOSHBPF-RYUDHWBXSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1sccc1Br ZINC000044516867 1032051516 /nfs/dbraw/zinc/05/15/16/1032051516.db2.gz HMZMTWUXDRLWRN-JTQLQIEISA-N 2 0 317.296 3.503 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172644696 1033303516 /nfs/dbraw/zinc/30/35/16/1033303516.db2.gz XWNFTKOXDCTNKL-HZPDHXFCSA-N 2 0 310.526 3.680 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172651392 1033305859 /nfs/dbraw/zinc/30/58/59/1033305859.db2.gz ATMLZGOKUHNAEW-UHFFFAOYSA-N 2 0 310.526 3.965 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172716441 1033322474 /nfs/dbraw/zinc/32/24/74/1033322474.db2.gz PZNHPZLUFMBORH-KSSFIOAISA-N 2 0 306.881 3.648 20 0 DHADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000643522063 1033337290 /nfs/dbraw/zinc/33/72/90/1033337290.db2.gz HFVYYLNRDVJERC-DZGCQCFKSA-N 2 0 316.367 3.768 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCS2 ZINC000643522149 1033339018 /nfs/dbraw/zinc/33/90/18/1033339018.db2.gz IVXKEPVKLAIPIL-UKRRQHHQSA-N 2 0 310.894 3.999 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)sc1Br ZINC000643522647 1033341971 /nfs/dbraw/zinc/34/19/71/1033341971.db2.gz QVZBNVXPXUYXBM-GHMZBOCLSA-N 2 0 317.296 3.612 20 0 DHADRP CC(C)(C[NH2+][C@@H](Cc1ccccc1)C1CC1)C[NH+]1CCCC1 ZINC000477933616 1033372505 /nfs/dbraw/zinc/37/25/05/1033372505.db2.gz SXXKZINUXBOIFY-IBGZPJMESA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)(C[NH2+][C@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000477916584 1033372824 /nfs/dbraw/zinc/37/28/24/1033372824.db2.gz QSBAAKUIYIUIAH-SFHVURJKSA-N 2 0 304.453 3.988 20 0 DHADRP CC(C)(C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C[NH+]1CCCC1 ZINC000477938210 1033373827 /nfs/dbraw/zinc/37/38/27/1033373827.db2.gz NOBNWIDBLBXOTP-QGZVFWFLSA-N 2 0 306.881 3.519 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172828624 1033392743 /nfs/dbraw/zinc/39/27/43/1033392743.db2.gz NTQWFVJBYRTYGW-JBACZVJFSA-N 2 0 312.501 3.977 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC001172836758 1033399937 /nfs/dbraw/zinc/39/99/37/1033399937.db2.gz XBXNEQMVOKRSFX-FXAWDEMLSA-N 2 0 300.490 3.706 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001172867715 1033406673 /nfs/dbraw/zinc/40/66/73/1033406673.db2.gz QEPUZTUDIMEJFD-CYBMUJFWSA-N 2 0 312.860 3.684 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001172841430 1033409103 /nfs/dbraw/zinc/40/91/03/1033409103.db2.gz JZEKAVUXPOCTRG-HSBZDZAISA-N 2 0 312.860 3.873 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cncc3ccccc31)CC2 ZINC000877684127 1033410002 /nfs/dbraw/zinc/41/00/02/1033410002.db2.gz HNLZYVIHNKJZPW-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038850 1033412039 /nfs/dbraw/zinc/41/20/39/1033412039.db2.gz RGYMSWBKAHWMAS-DMKPSLHHSA-N 2 0 304.453 3.753 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001172843273 1033412242 /nfs/dbraw/zinc/41/22/42/1033412242.db2.gz RLQKVGGTIGJIOF-FQEVSTJZSA-N 2 0 300.490 3.708 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001172847295 1033418938 /nfs/dbraw/zinc/41/89/38/1033418938.db2.gz JZEKAVUXPOCTRG-IHRRRGAJSA-N 2 0 312.860 3.873 20 0 DHADRP Cc1ccccc1[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000151250340 1033430290 /nfs/dbraw/zinc/43/02/90/1033430290.db2.gz KTQBHLJWIYMEDJ-SFHVURJKSA-N 2 0 316.489 3.633 20 0 DHADRP CCc1ncc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000877767384 1033439413 /nfs/dbraw/zinc/43/94/13/1033439413.db2.gz GRRXDNIZLVABEO-UHFFFAOYSA-N 2 0 309.523 3.505 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cc2cnccc2o1 ZINC000877768477 1033443205 /nfs/dbraw/zinc/44/32/05/1033443205.db2.gz TVHCZUAJHONPAI-AWEZNQCLSA-N 2 0 322.412 3.542 20 0 DHADRP C[NH+]1CCC(c2ccc(Nc3cc[nH+]c4c3CCC4)cc2)CC1 ZINC001212689142 1033458305 /nfs/dbraw/zinc/45/83/05/1033458305.db2.gz NVRYJLHJCWWIQN-UHFFFAOYSA-N 2 0 307.441 3.545 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172918744 1033466622 /nfs/dbraw/zinc/46/66/22/1033466622.db2.gz MQJHTIOSZJGTCR-HKUYNNGSSA-N 2 0 308.510 3.578 20 0 DHADRP CO[C@H]1CCC[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928814 1033472563 /nfs/dbraw/zinc/47/25/63/1033472563.db2.gz LWGZUHQVZHIENO-WNHJNPCNSA-N 2 0 308.510 3.849 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001172927783 1033472675 /nfs/dbraw/zinc/47/26/75/1033472675.db2.gz ZWJCJJGZYHXVKI-WOJBJXKFSA-N 2 0 322.537 3.826 20 0 DHADRP CO[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931510 1033474412 /nfs/dbraw/zinc/47/44/12/1033474412.db2.gz VSFBQBRAARAJHF-LWYYNNOASA-N 2 0 316.489 3.716 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173044521 1033510625 /nfs/dbraw/zinc/51/06/25/1033510625.db2.gz DPTCEYIIXPJQLS-UHFFFAOYSA-N 2 0 322.537 3.828 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc3ccccc3cn2)CC1 ZINC001173101403 1033540014 /nfs/dbraw/zinc/54/00/14/1033540014.db2.gz IRIYVZDXOXNGGM-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001173105468 1033542963 /nfs/dbraw/zinc/54/29/63/1033542963.db2.gz UFHIHUONYWEHHU-VCWRXUFXSA-N 3 0 323.569 3.597 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001173104410 1033543473 /nfs/dbraw/zinc/54/34/73/1033543473.db2.gz NRFRVRZWNADZMO-PAQOUXTFSA-N 3 0 323.569 3.773 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001173109645 1033545328 /nfs/dbraw/zinc/54/53/28/1033545328.db2.gz IWIAQLVEEWDQFB-NRXISQOPSA-N 2 0 306.416 3.709 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(F)c(OC)c2)CC1 ZINC001173107973 1033545384 /nfs/dbraw/zinc/54/53/84/1033545384.db2.gz VDSSWBXIGRLISC-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)Cc2cccc(O)c2)CC1 ZINC001173106936 1033545493 /nfs/dbraw/zinc/54/54/93/1033545493.db2.gz HCJOLXSIGPZGCS-ZLPCBKJTSA-N 2 0 304.478 3.566 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001173109999 1033545783 /nfs/dbraw/zinc/54/57/83/1033545783.db2.gz MPKAMDQIOBQVDJ-YMAMQOFZSA-N 2 0 324.406 3.863 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)c2ccc(F)cn2)CC1 ZINC001173107259 1033546142 /nfs/dbraw/zinc/54/61/42/1033546142.db2.gz ZROJXDBQXUBEBE-UHFFFAOYSA-N 2 0 321.484 3.741 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001173112364 1033547571 /nfs/dbraw/zinc/54/75/71/1033547571.db2.gz WHEOLEXAHBUQBE-WWDZGPRUSA-N 2 0 301.478 3.524 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCC(=O)c2ccccc2)CC1 ZINC001173114335 1033548381 /nfs/dbraw/zinc/54/83/81/1033548381.db2.gz GYABFDOJLVNHND-UHFFFAOYSA-N 2 0 316.489 3.844 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3cc(C)ccn3)CC2)CC1 ZINC001173110891 1033549448 /nfs/dbraw/zinc/54/94/48/1033549448.db2.gz UIZNMBGZDUULDO-UHFFFAOYSA-N 2 0 315.505 3.664 20 0 DHADRP CCCCCCN1CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173111693 1033549460 /nfs/dbraw/zinc/54/94/60/1033549460.db2.gz KANWHQIQPVGFOW-UHFFFAOYSA-N 2 0 323.569 3.837 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198969 1033589716 /nfs/dbraw/zinc/58/97/16/1033589716.db2.gz NFFWYLAJNXKXKG-NRGCRIOASA-N 2 0 316.489 3.839 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878167529 1033608256 /nfs/dbraw/zinc/60/82/56/1033608256.db2.gz VXTMERVBFUESMM-DFQSSKMNSA-N 2 0 316.489 3.570 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878167534 1033608456 /nfs/dbraw/zinc/60/84/56/1033608456.db2.gz VXTMERVBFUESMM-YSIASYRMSA-N 2 0 316.489 3.570 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000878258900 1033638452 /nfs/dbraw/zinc/63/84/52/1033638452.db2.gz WYBMLRBTBJIBIX-FRYIKTPZSA-N 2 0 316.489 3.569 20 0 DHADRP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001173270626 1033640427 /nfs/dbraw/zinc/64/04/27/1033640427.db2.gz OGLMIOCEFWIBSU-MAUKXSAKSA-N 2 0 304.453 3.740 20 0 DHADRP CCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001173292861 1033649438 /nfs/dbraw/zinc/64/94/38/1033649438.db2.gz RXRQMDVNVJSBFI-AEFFLSMTSA-N 2 0 306.519 3.630 20 0 DHADRP CCc1ccc(C[C@@H](C)n2cc(CC[NH3+])c3c[nH+]ccc32)cc1 ZINC001173242004 1033649717 /nfs/dbraw/zinc/64/97/17/1033649717.db2.gz RTQRGAICYTZPKS-OAHLLOKOSA-N 2 0 307.441 3.904 20 0 DHADRP Cc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)nc1Cl ZINC000878313819 1033654427 /nfs/dbraw/zinc/65/44/27/1033654427.db2.gz FOOMFHJENPECPE-UHFFFAOYSA-N 2 0 317.864 3.737 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411373 1033694365 /nfs/dbraw/zinc/69/43/65/1033694365.db2.gz IPVSSHGZDDXBPZ-BQFCYCMXSA-N 2 0 308.510 3.577 20 0 DHADRP CCSC[C@H](C)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173315657 1033709144 /nfs/dbraw/zinc/70/91/44/1033709144.db2.gz RWVOUOMSZDFWAX-WDSOQIARSA-N 2 0 318.530 3.582 20 0 DHADRP Cc1ccc2ccnc(N3CCCC4(CC[NH+](C)CC4)C3)c2c1 ZINC000826040068 1033709548 /nfs/dbraw/zinc/70/95/48/1033709548.db2.gz HVEORRBTQISTKK-UHFFFAOYSA-N 2 0 309.457 3.855 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)C[C@](C)(C[NH3+])C1 ZINC001173473647 1033736069 /nfs/dbraw/zinc/73/60/69/1033736069.db2.gz GVLVTYLKDLGVNG-KXBFYZLASA-N 2 0 322.443 3.565 20 0 DHADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000479460064 1033766552 /nfs/dbraw/zinc/76/65/52/1033766552.db2.gz XYAVXFYENVDNML-PXNSSMCTSA-N 2 0 313.489 3.880 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCC[NH+](C)C ZINC001173552987 1033769147 /nfs/dbraw/zinc/76/91/47/1033769147.db2.gz ZMAKCIWYOJIOHH-LBPRGKRZSA-N 2 0 303.277 3.856 20 0 DHADRP Cc1cccc(C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CC2)c1 ZINC000479515124 1033794087 /nfs/dbraw/zinc/79/40/87/1033794087.db2.gz RPRIGASJCCZXRB-CBNMVNINSA-N 2 0 312.501 3.923 20 0 DHADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CC[PH+](C(C)C)C(C)C)C1 ZINC001173632348 1033799418 /nfs/dbraw/zinc/79/94/18/1033799418.db2.gz LLSHUPNTNJYJHD-HOTGVXAUSA-N 2 0 315.438 3.997 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccnc(F)c1C ZINC000862262591 1033802678 /nfs/dbraw/zinc/80/26/78/1033802678.db2.gz BTOYBNQISLTBAX-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CC(F)(F)C1 ZINC000862284134 1033810924 /nfs/dbraw/zinc/81/09/24/1033810924.db2.gz VAHPAYQNSOZKSO-JEYLPNPQSA-N 2 0 300.437 3.807 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479573996 1033822652 /nfs/dbraw/zinc/82/26/52/1033822652.db2.gz MSMYSHNZSBNCMN-UHFFFAOYSA-N 2 0 313.489 3.996 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc3[nH]ccc3c2)cc1 ZINC000862366261 1033831917 /nfs/dbraw/zinc/83/19/17/1033831917.db2.gz GQCJCQPBOKTNGE-UHFFFAOYSA-N 2 0 307.441 3.862 20 0 DHADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173688159 1033832673 /nfs/dbraw/zinc/83/26/73/1033832673.db2.gz XPKOXXTYNSXMNU-LWEYNCJUSA-N 2 0 312.501 3.887 20 0 DHADRP CC[C@H]1C[C@@H](C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)CCO1 ZINC000479595501 1033834722 /nfs/dbraw/zinc/83/47/22/1033834722.db2.gz VDONHDNDTYUDJV-ROUUACIJSA-N 2 0 310.526 3.826 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000553859834 1033860923 /nfs/dbraw/zinc/86/09/23/1033860923.db2.gz MMXUKSYUOMYECZ-UHFFFAOYSA-N 2 0 300.490 3.817 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)nc3ccccc23)C1 ZINC000174966414 1033970651 /nfs/dbraw/zinc/97/06/51/1033970651.db2.gz JPZLVDVLHAIGOK-KRWDZBQOSA-N 2 0 311.473 3.707 20 0 DHADRP C[C@]1(CNC(=[NH2+])Nc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000379869082 1033991259 /nfs/dbraw/zinc/99/12/59/1033991259.db2.gz OKFDKLGXKXLKIC-HXUWFJFHSA-N 2 0 322.456 3.535 20 0 DHADRP C[C@H](CNc1cc[nH+]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000554181503 1034011768 /nfs/dbraw/zinc/01/17/68/1034011768.db2.gz ZBKLOWPMTXLDOH-MRXNPFEDSA-N 2 0 317.436 3.515 20 0 DHADRP Cc1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480087854 1034055023 /nfs/dbraw/zinc/05/50/23/1034055023.db2.gz ZHWRZNRCDNWSRJ-TZIWHRDSSA-N 2 0 321.468 3.881 20 0 DHADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1SC(C)(C)C ZINC000863547991 1034127503 /nfs/dbraw/zinc/12/75/03/1034127503.db2.gz SYNTWQQDOFZNDK-AWEZNQCLSA-N 2 0 310.507 3.593 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000554406131 1034130319 /nfs/dbraw/zinc/13/03/19/1034130319.db2.gz NDLDPFNBNWGPFI-XCAIRMDXSA-N 2 0 318.427 3.960 20 0 DHADRP C[C@@H]([NH2+]Cc1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178024461 1034202764 /nfs/dbraw/zinc/20/27/64/1034202764.db2.gz JGDUVYAAMUDCFE-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667671984 1034238546 /nfs/dbraw/zinc/23/85/46/1034238546.db2.gz GVFVNMQEUWKZHH-UHFFFAOYSA-N 2 0 317.502 3.850 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CCC2CCOCC2)CC1 ZINC000880254927 1034268118 /nfs/dbraw/zinc/26/81/18/1034268118.db2.gz SUOPLTTVEKZHGJ-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP COc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C(C)(C)C)cc1 ZINC000554747579 1034312565 /nfs/dbraw/zinc/31/25/65/1034312565.db2.gz PHTKDSCDOOUWKS-QGZVFWFLSA-N 2 0 304.478 3.780 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC[N@@H+]1C ZINC000179554327 1034316092 /nfs/dbraw/zinc/31/60/92/1034316092.db2.gz QQSKVVVBCHNRFE-OCCSQVGLSA-N 2 0 310.844 3.583 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000480608225 1034339201 /nfs/dbraw/zinc/33/92/01/1034339201.db2.gz BYVJWZLHZHSVFF-HNAYVOBHSA-N 2 0 304.453 3.915 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000480607253 1034348696 /nfs/dbraw/zinc/34/86/96/1034348696.db2.gz FBTRVSXKEHLTRV-JXFKEZNVSA-N 2 0 316.489 3.784 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000480628779 1034349133 /nfs/dbraw/zinc/34/91/33/1034349133.db2.gz ZMMBYHRPXZMFRR-UZLBHIALSA-N 2 0 316.489 3.927 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000480631582 1034366042 /nfs/dbraw/zinc/36/60/42/1034366042.db2.gz PQPNPDOAAGJODK-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP CSC1(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000554862736 1034372541 /nfs/dbraw/zinc/37/25/41/1034372541.db2.gz QGGRZQCUOGHNJH-AEFFLSMTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000480666906 1034377900 /nfs/dbraw/zinc/37/79/00/1034377900.db2.gz FODIJSQFMDWOMY-IJEWVQPXSA-N 2 0 314.395 3.685 20 0 DHADRP CC[N@@H+]1CC[C@@H](CNCc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000480669401 1034383144 /nfs/dbraw/zinc/38/31/44/1034383144.db2.gz NQZKYJTXHMAZDU-ZDUSSCGKSA-N 2 0 320.383 3.656 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000173549800 1034438700 /nfs/dbraw/zinc/43/87/00/1034438700.db2.gz XVJOXKXMTUCJLN-UHFFFAOYSA-N 2 0 309.885 3.679 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000554991378 1034450041 /nfs/dbraw/zinc/45/00/41/1034450041.db2.gz LQDIOTQPCSOHQO-GGPKGHCWSA-N 2 0 317.521 3.532 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000184498576 1034481812 /nfs/dbraw/zinc/48/18/12/1034481812.db2.gz YDHKYAYPTUTJNY-CVEARBPZSA-N 2 0 317.477 3.560 20 0 DHADRP Cc1cc(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)cc[nH+]1 ZINC001174660219 1034559127 /nfs/dbraw/zinc/55/91/27/1034559127.db2.gz KUNNNSCDWWEHRV-OAQYLSRUSA-N 2 0 321.468 3.899 20 0 DHADRP C[C@@H](NCc1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769312 1034571145 /nfs/dbraw/zinc/57/11/45/1034571145.db2.gz TWQCQJZEYYKTBG-KGLIPLIRSA-N 2 0 308.416 3.707 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000186096512 1034599057 /nfs/dbraw/zinc/59/90/57/1034599057.db2.gz RHCUVQOJSXFCRE-ZDUSSCGKSA-N 2 0 304.459 3.669 20 0 DHADRP FC(F)c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000865485475 1034673485 /nfs/dbraw/zinc/67/34/85/1034673485.db2.gz XJEPKQMRZIHZEV-UHFFFAOYSA-N 2 0 323.431 3.906 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865509504 1034683151 /nfs/dbraw/zinc/68/31/51/1034683151.db2.gz RBKOZNCVLZXEMA-UHFFFAOYSA-N 2 0 315.436 3.584 20 0 DHADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CCO1 ZINC001174932969 1034695226 /nfs/dbraw/zinc/69/52/26/1034695226.db2.gz HZIPVMNVGBNHMW-CTWPCTMYSA-N 2 0 324.553 3.882 20 0 DHADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc3ccsc32)CC1 ZINC001175377382 1034959921 /nfs/dbraw/zinc/95/99/21/1034959921.db2.gz LBLPEVDZRDFDTF-UHFFFAOYSA-N 2 0 324.453 3.792 20 0 DHADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481912862 1035032563 /nfs/dbraw/zinc/03/25/63/1035032563.db2.gz ZLKANCLQPAHEKJ-UKRRQHHQSA-N 2 0 314.395 3.710 20 0 DHADRP Cc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CCCC2)c1 ZINC000481931006 1035037232 /nfs/dbraw/zinc/03/72/32/1035037232.db2.gz IIBFKGHWFAYGIS-HKUYNNGSSA-N 2 0 300.490 3.737 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000482113550 1035058749 /nfs/dbraw/zinc/05/87/49/1035058749.db2.gz JOMZMPJJNHLQDS-WMLDXEAASA-N 2 0 322.443 3.706 20 0 DHADRP CC1([NH+]2CCCCC2)CC[NH+](CCCc2ccccc2)CC1 ZINC001175965489 1035168419 /nfs/dbraw/zinc/16/84/19/1035168419.db2.gz KCOKPNXMEHEPNP-UHFFFAOYSA-N 2 0 300.490 3.960 20 0 DHADRP C[N@H+]1Cc2c(Nc3[nH]cc[nH+]3)cccc2[C@H](c2ccccc2)C1 ZINC001176085253 1035193810 /nfs/dbraw/zinc/19/38/10/1035193810.db2.gz HIGRVLHYNNBALI-INIZCTEOSA-N 2 0 304.397 3.731 20 0 DHADRP C[N@H+]1Cc2c(Nc3[nH]cc[nH+]3)cccc2[C@@H](c2ccccc2)C1 ZINC001176085257 1035194035 /nfs/dbraw/zinc/19/40/35/1035194035.db2.gz HIGRVLHYNNBALI-MRXNPFEDSA-N 2 0 304.397 3.731 20 0 DHADRP c1ccc2c(c1)CC(CC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903127642 1035283639 /nfs/dbraw/zinc/28/36/39/1035283639.db2.gz JKIZUGIAJGIFMG-VCSGRIEYSA-N 2 0 310.485 3.539 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000483738310 1035295112 /nfs/dbraw/zinc/29/51/12/1035295112.db2.gz AACXAGRDACLRKY-MELADBBJSA-N 2 0 312.404 3.730 20 0 DHADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C ZINC000483870254 1035307124 /nfs/dbraw/zinc/30/71/24/1035307124.db2.gz MSDPBDQZDXXKMH-YTQUADARSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000484309314 1035329634 /nfs/dbraw/zinc/32/96/34/1035329634.db2.gz OIZUSLGKYMBKKE-YJBOKZPZSA-N 2 0 304.478 3.856 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484354985 1035332678 /nfs/dbraw/zinc/33/26/78/1035332678.db2.gz RTHFRAUKUIGEKI-ZIAGYGMSSA-N 2 0 306.416 3.771 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000484468693 1035336950 /nfs/dbraw/zinc/33/69/50/1035336950.db2.gz CIFDEWMDZZECSS-SZMVWBNQSA-N 2 0 304.478 3.999 20 0 DHADRP C[N@@H+]1C[C@@]23CN(CCCCC(F)(F)F)C[C@]2(C1)CCCC3 ZINC001177016424 1035343948 /nfs/dbraw/zinc/34/39/48/1035343948.db2.gz YFQYKAMXMQKCBC-GASCZTMLSA-N 2 0 304.400 3.527 20 0 DHADRP Cc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)c1 ZINC000484476209 1035344782 /nfs/dbraw/zinc/34/47/82/1035344782.db2.gz VAQMQPZKZHIQLW-AQNXPRMDSA-N 2 0 300.490 3.779 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC001206292885 1035348523 /nfs/dbraw/zinc/34/85/23/1035348523.db2.gz FKIIUAPKGHYYJP-HNNXBMFYSA-N 2 0 300.368 3.656 20 0 DHADRP CC1CC[NH+](CCC[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC001177122708 1035349477 /nfs/dbraw/zinc/34/94/77/1035349477.db2.gz SGQCBCGKBBLUOM-UHFFFAOYSA-N 2 0 323.484 3.960 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC001177543112 1035379827 /nfs/dbraw/zinc/37/98/27/1035379827.db2.gz ZWPRUDODQPNMAO-KRWDZBQOSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001177674580 1035386867 /nfs/dbraw/zinc/38/68/67/1035386867.db2.gz ZPCYJBMYPSZULL-PKOBYXMFSA-N 2 0 318.505 3.933 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]C1CCc2ccccc2CC1)C(C)(C)C ZINC001177823775 1035392133 /nfs/dbraw/zinc/39/21/33/1035392133.db2.gz ZNZHXTSUEHJINC-IBGZPJMESA-N 2 0 302.506 3.890 20 0 DHADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1C(F)F ZINC000904351307 1035402654 /nfs/dbraw/zinc/40/26/54/1035402654.db2.gz XEOXXHIUTBHVMM-UONOGXRCSA-N 2 0 312.379 3.585 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001206310888 1035403181 /nfs/dbraw/zinc/40/31/81/1035403181.db2.gz DWQVSMQAUJDJHG-OAHLLOKOSA-N 2 0 302.796 3.569 20 0 DHADRP [NH3+]CC1CC([NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000904360242 1035403329 /nfs/dbraw/zinc/40/33/29/1035403329.db2.gz JTYZCSKVVNXTGD-SYGMWZTRSA-N 2 0 300.833 3.756 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904384200 1035408856 /nfs/dbraw/zinc/40/88/56/1035408856.db2.gz GRZZAJHCFBPVME-GFCCVEGCSA-N 2 0 300.368 3.631 20 0 DHADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000904406210 1035410568 /nfs/dbraw/zinc/41/05/68/1035410568.db2.gz UMTICGDRQKEUIN-SNVBAGLBSA-N 2 0 306.759 3.530 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476193 1035418448 /nfs/dbraw/zinc/41/84/48/1035418448.db2.gz SCLZTRHSKALLOP-CTNGQTDRSA-N 2 0 322.452 3.649 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476195 1035418672 /nfs/dbraw/zinc/41/86/72/1035418672.db2.gz SCLZTRHSKALLOP-PZJWPPBQSA-N 2 0 322.452 3.649 20 0 DHADRP C[NH+](C)CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC001178444853 1035427158 /nfs/dbraw/zinc/42/71/58/1035427158.db2.gz OXPJIWOWXWSDKD-UHFFFAOYSA-N 2 0 314.395 3.917 20 0 DHADRP C[NH+](C)CC1(C[NH2+]C2CCc3ccccc3CC2)CCCC1 ZINC001178448794 1035427423 /nfs/dbraw/zinc/42/74/23/1035427423.db2.gz COKTZEUQONJRAU-UHFFFAOYSA-N 2 0 300.490 3.646 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001178584895 1035435571 /nfs/dbraw/zinc/43/55/71/1035435571.db2.gz QREBZQZYESDDDJ-NZSAHSFTSA-N 2 0 308.510 3.721 20 0 DHADRP C[N@H+](CCc1cc(Cl)cc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000773756397 1035436213 /nfs/dbraw/zinc/43/62/13/1035436213.db2.gz KWRCNMJVAJCLDL-UHFFFAOYSA-N 2 0 315.288 3.810 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCC2(C)C)cc1 ZINC001178783286 1035447011 /nfs/dbraw/zinc/44/70/11/1035447011.db2.gz NVACTJCGHLUYDP-KRWDZBQOSA-N 2 0 304.478 3.543 20 0 DHADRP COc1cc(C)c(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(C)c1 ZINC000904875510 1035465504 /nfs/dbraw/zinc/46/55/04/1035465504.db2.gz PUYZNPQKGGPDGJ-UHFFFAOYSA-N 2 0 324.468 3.902 20 0 DHADRP c1cnc2cccc(C[NH2+]C[C@@H]3CCN3C3CCCCC3)c2c1 ZINC001179168827 1035468212 /nfs/dbraw/zinc/46/82/12/1035468212.db2.gz KKWIRZCCOGOOEW-SFHVURJKSA-N 2 0 309.457 3.731 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c(C)c1 ZINC001204249065 1035484509 /nfs/dbraw/zinc/48/45/09/1035484509.db2.gz LQKWYQIIPAANBI-YLJYHZDGSA-N 2 0 318.505 3.946 20 0 DHADRP C[C@@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1cc(F)cc(F)c1 ZINC001180097750 1035597711 /nfs/dbraw/zinc/59/77/11/1035597711.db2.gz HMQVSEAGUIZTSQ-KBXCAEBGSA-N 2 0 310.432 3.875 20 0 DHADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C)o1 ZINC001180123601 1035603522 /nfs/dbraw/zinc/60/35/22/1035603522.db2.gz CHDCHKYXEHHTFV-UHFFFAOYSA-N 2 0 304.478 3.984 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2C)[C@H](C)C1 ZINC000191003667 1035651064 /nfs/dbraw/zinc/65/10/64/1035651064.db2.gz JKUGMLFGTFPACK-CJNGLKHVSA-N 2 0 314.395 3.834 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cnn1C(C)C ZINC000191178354 1035667116 /nfs/dbraw/zinc/66/71/16/1035667116.db2.gz MJDYERNNKLMZLF-DLBZAZTESA-N 2 0 320.525 3.935 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000191605309 1035705388 /nfs/dbraw/zinc/70/53/88/1035705388.db2.gz FWOVWDGNDNIDMD-XUVXKRRUSA-N 2 0 300.490 3.718 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000379764376 1035710084 /nfs/dbraw/zinc/71/00/84/1035710084.db2.gz GSUWPKURIYKYCY-MJGOQNOKSA-N 2 0 324.468 3.955 20 0 DHADRP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccncc3)CC2)c1C1CC1 ZINC000668512058 1035716982 /nfs/dbraw/zinc/71/69/82/1035716982.db2.gz JBIOOWXSOSGDFU-UHFFFAOYSA-N 2 0 322.456 3.739 20 0 DHADRP Cc1cc(C)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC001193871292 1035760568 /nfs/dbraw/zinc/76/05/68/1035760568.db2.gz ITXMUPPOWVEYGK-UHFFFAOYSA-N 2 0 300.490 3.920 20 0 DHADRP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000906159548 1035783744 /nfs/dbraw/zinc/78/37/44/1035783744.db2.gz SDAQTCRRYCQAOX-KXBFYZLASA-N 2 0 322.456 3.552 20 0 DHADRP c1ccc2c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccnc2c1 ZINC000539821231 1035875007 /nfs/dbraw/zinc/87/50/07/1035875007.db2.gz LRUMTCAADZOHNM-SFHVURJKSA-N 2 0 309.457 3.685 20 0 DHADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@@H]3CCc4ccccc43)C2)cc1 ZINC001181349932 1035903488 /nfs/dbraw/zinc/90/34/88/1035903488.db2.gz OCLWCITWMDOWHQ-CTNGQTDRSA-N 2 0 320.480 3.828 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC001181472880 1035921475 /nfs/dbraw/zinc/92/14/75/1035921475.db2.gz VPOFWJMPTZRYOM-KLHKWILBSA-N 2 0 304.503 3.630 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000485737806 1035926778 /nfs/dbraw/zinc/92/67/78/1035926778.db2.gz MJAGVDXROYRRNL-UHFFFAOYSA-N 2 0 306.469 3.812 20 0 DHADRP COc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000195632266 1035936029 /nfs/dbraw/zinc/93/60/29/1035936029.db2.gz DELMTXRKZKXWST-IBGZPJMESA-N 2 0 302.462 3.708 20 0 DHADRP C[NH+](C)CCC[N@H+](C)CCCc1c(Cl)cccc1Cl ZINC001181555763 1035938046 /nfs/dbraw/zinc/93/80/46/1035938046.db2.gz NWTKEFPMWKOJKH-UHFFFAOYSA-N 2 0 303.277 3.810 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000540141061 1035980796 /nfs/dbraw/zinc/98/07/96/1035980796.db2.gz XHSAPHAUEMNWKM-XBMUEBEBSA-N 2 0 310.526 3.680 20 0 DHADRP COC[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000540145271 1035981224 /nfs/dbraw/zinc/98/12/24/1035981224.db2.gz FNWORACWKWVQBO-HOJAQTOUSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H](C)C1CCCCC1 ZINC000540158373 1035982877 /nfs/dbraw/zinc/98/28/77/1035982877.db2.gz WVQVWCHEEQMOKF-WOUAJJJCSA-N 2 0 322.537 3.559 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000540174171 1035995733 /nfs/dbraw/zinc/99/57/33/1035995733.db2.gz VJCNPVIOJKFXFL-LPHOPBHVSA-N 2 0 318.505 3.683 20 0 DHADRP c1ncc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)o1 ZINC000906526611 1035996787 /nfs/dbraw/zinc/99/67/87/1035996787.db2.gz VWGSUWXUDDBVAJ-JLYLLQBASA-N 2 0 323.440 3.589 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000540363055 1036052399 /nfs/dbraw/zinc/05/23/99/1036052399.db2.gz MSSVHFVNQYSAFX-SJLPKXTDSA-N 2 0 304.478 3.999 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000467390252 1036071994 /nfs/dbraw/zinc/07/19/94/1036071994.db2.gz VFDHTRMLNPANSA-YOEHRIQHSA-N 2 0 324.896 3.949 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCC(C)C)c2)[C@@H](C)C1 ZINC000540481841 1036078001 /nfs/dbraw/zinc/07/80/01/1036078001.db2.gz NUPCPPRHPPCMRD-FXAWDEMLSA-N 2 0 318.505 3.884 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000227497129 1036093158 /nfs/dbraw/zinc/09/31/58/1036093158.db2.gz PSQBSEYHJGAXLV-CYBMUJFWSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000753737154 1036309557 /nfs/dbraw/zinc/30/95/57/1036309557.db2.gz FIDDLCPZGLSEQM-QGZVFWFLSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000613256915 1036353230 /nfs/dbraw/zinc/35/32/30/1036353230.db2.gz PGNYURGUULYUBY-GPMSIDNRSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCCCC1 ZINC000541566072 1036357077 /nfs/dbraw/zinc/35/70/77/1036357077.db2.gz OUYRWYOCOIZOPA-PWIZWCRZSA-N 2 0 322.537 3.703 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000541590069 1036380139 /nfs/dbraw/zinc/38/01/39/1036380139.db2.gz YHZUMZXRSYNTGB-ICSRJNTNSA-N 2 0 300.490 3.816 20 0 DHADRP COc1ccccc1C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000541633810 1036390603 /nfs/dbraw/zinc/39/06/03/1036390603.db2.gz WBUXTSAFAONISX-OALUTQOASA-N 2 0 318.505 3.726 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000541774315 1036429568 /nfs/dbraw/zinc/42/95/68/1036429568.db2.gz SUJLULSXYMHMKS-ONEGZZNKSA-N 2 0 308.416 3.642 20 0 DHADRP COc1ccccc1CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000541872864 1036447959 /nfs/dbraw/zinc/44/79/59/1036447959.db2.gz UTWQEWBSSRYVST-UHFFFAOYSA-N 2 0 318.505 3.680 20 0 DHADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000486954434 1036483114 /nfs/dbraw/zinc/48/31/14/1036483114.db2.gz IPBPOYOAVRVGNR-INIZCTEOSA-N 2 0 304.503 3.515 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC001183123968 1036520257 /nfs/dbraw/zinc/52/02/57/1036520257.db2.gz OSVNESILUQFHSD-KBAYOESNSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC001183123966 1036520725 /nfs/dbraw/zinc/52/07/25/1036520725.db2.gz OSVNESILUQFHSD-BPQIPLTHSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000542177094 1036523808 /nfs/dbraw/zinc/52/38/08/1036523808.db2.gz PWGHCPAZNRQEJC-NEWSRXKRSA-N 2 0 318.530 3.772 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001196623716 1036584020 /nfs/dbraw/zinc/58/40/20/1036584020.db2.gz UHCTUKJJQGZXGA-AABGKKOBSA-N 2 0 316.489 3.528 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C12CCCC2 ZINC001183407724 1036585949 /nfs/dbraw/zinc/58/59/49/1036585949.db2.gz FXJATMWNPMHZTD-SAGYGOJTSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H](CNCc1cc(C(F)(F)F)ccc1Cl)C[NH+](C)C ZINC000491559090 1036594816 /nfs/dbraw/zinc/59/48/16/1036594816.db2.gz IIRGYXWIODKDDI-JTQLQIEISA-N 2 0 308.775 3.646 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CC3(CO1)CCCCC3)CC2 ZINC001196798178 1036614346 /nfs/dbraw/zinc/61/43/46/1036614346.db2.gz HKBDVYMUYSSMHL-SFHVURJKSA-N 2 0 320.521 3.534 20 0 DHADRP C[C@@H]([NH2+]C/C=C\c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000495432997 1036634339 /nfs/dbraw/zinc/63/43/39/1036634339.db2.gz MJUHEWISNHZFOA-IBWPDUFMSA-N 2 0 324.468 3.991 20 0 DHADRP C[C@@H](CC[NH2+]C/C=C\c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000487309107 1036649684 /nfs/dbraw/zinc/64/96/84/1036649684.db2.gz NFELPCMJDHQTMH-KKMIYCERSA-N 2 0 309.457 3.595 20 0 DHADRP C[C@@H]([NH2+]CCSC(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000089516427 1036753027 /nfs/dbraw/zinc/75/30/27/1036753027.db2.gz CFWJUZHKZVTYAE-OAHLLOKOSA-N 2 0 324.534 3.809 20 0 DHADRP Cc1cccc(C[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001184313906 1036797071 /nfs/dbraw/zinc/79/70/71/1036797071.db2.gz BZRQJYGHANMPHO-KRWDZBQOSA-N 2 0 309.457 3.580 20 0 DHADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)c1ccccc1 ZINC001184291161 1036807263 /nfs/dbraw/zinc/80/72/63/1036807263.db2.gz PTROJEHOTUOLAW-GSEOLPGOSA-N 2 0 300.490 3.842 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000492425396 1036871382 /nfs/dbraw/zinc/87/13/82/1036871382.db2.gz ROWHVHBQBDGMFE-IJEWVQPXSA-N 2 0 314.395 3.685 20 0 DHADRP FC1(F)CCC(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233362 1036922236 /nfs/dbraw/zinc/92/22/36/1036922236.db2.gz OZQCRGKEIAYXAX-MRXNPFEDSA-N 2 0 300.437 3.666 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488353747 1036979671 /nfs/dbraw/zinc/97/96/71/1036979671.db2.gz KNXTXAQZJCEWBE-UHFFFAOYSA-N 2 0 317.452 3.861 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC000488402870 1036998437 /nfs/dbraw/zinc/99/84/37/1036998437.db2.gz APCPJNVMGXYXFV-UHFFFAOYSA-N 2 0 318.505 3.736 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000237307756 1036999978 /nfs/dbraw/zinc/99/99/78/1036999978.db2.gz VGRKEXBXJUPAJX-HNNXBMFYSA-N 2 0 304.478 3.566 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237254577 1037001500 /nfs/dbraw/zinc/00/15/00/1037001500.db2.gz VPFREAGWHSQUKK-ROUUACIJSA-N 2 0 318.505 3.728 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCCC2 ZINC000316132136 1037072510 /nfs/dbraw/zinc/07/25/10/1037072510.db2.gz OZIOYZDMGLDQOP-CVEARBPZSA-N 2 0 308.510 3.623 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCCC2 ZINC000316132141 1037072529 /nfs/dbraw/zinc/07/25/29/1037072529.db2.gz OZIOYZDMGLDQOP-HZPDHXFCSA-N 2 0 308.510 3.623 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000316592832 1037138912 /nfs/dbraw/zinc/13/89/12/1037138912.db2.gz FYMAZZWXARZYON-ZWKOTPCHSA-N 2 0 302.462 3.582 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262344780 1037171183 /nfs/dbraw/zinc/17/11/83/1037171183.db2.gz USYPCYFUTKHEGJ-SHPPOPEUSA-N 2 0 312.379 3.826 20 0 DHADRP Cc1ccccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309730071 1037177218 /nfs/dbraw/zinc/17/72/18/1037177218.db2.gz RIFNGKINBNYEQU-NQIIRXRSSA-N 2 0 308.469 3.995 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](OC)CC1)[NH+]1CCCC1 ZINC001199144009 1037205624 /nfs/dbraw/zinc/20/56/24/1037205624.db2.gz MEGUVMLOVKXSEL-OTWHNJEPSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC001199329634 1037244032 /nfs/dbraw/zinc/24/40/32/1037244032.db2.gz XNFWBTAMDJVTJD-GUDVDZBRSA-N 2 0 322.537 3.826 20 0 DHADRP c1cc(C[NH2+]C[C@@H]2CCC=CO2)cc(C[NH+]2CCCCCC2)c1 ZINC000774987924 1037341996 /nfs/dbraw/zinc/34/19/96/1037341996.db2.gz DKUHAIWMIYEHMM-FQEVSTJZSA-N 2 0 314.473 3.845 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001168455651 1037351449 /nfs/dbraw/zinc/35/14/49/1037351449.db2.gz HLYMVNSUUAHMHU-HNNXBMFYSA-N 2 0 300.421 3.608 20 0 DHADRP c1cc(OC2CCCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671302408 1037582701 /nfs/dbraw/zinc/58/27/01/1037582701.db2.gz OHTYLPGPSCKXFZ-QZTJIDSGSA-N 2 0 314.473 3.724 20 0 DHADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CC=CCC4)CC[C@@H]3C2)cc1 ZINC001201428605 1037668763 /nfs/dbraw/zinc/66/87/63/1037668763.db2.gz RGZHNXXHQVSZNT-CEWLAPEOSA-N 2 0 310.485 3.797 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1(CC)CC ZINC000776167568 1037669061 /nfs/dbraw/zinc/66/90/61/1037669061.db2.gz FYPCGASSYWPQTO-HIEASXQVSA-N 2 0 310.526 3.680 20 0 DHADRP CC[C@H](C)C[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201503799 1037723121 /nfs/dbraw/zinc/72/31/21/1037723121.db2.gz RZRFNFKPVXIARH-HNNXBMFYSA-N 2 0 319.493 3.768 20 0 DHADRP CC(C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001201470766 1037734502 /nfs/dbraw/zinc/73/45/02/1037734502.db2.gz LQBUAZKBVIBGCN-SZMVWBNQSA-N 2 0 306.519 3.936 20 0 DHADRP CCC[C@H](C)C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001201545378 1037754021 /nfs/dbraw/zinc/75/40/21/1037754021.db2.gz YDHGDHIFLCCYPP-SFHVURJKSA-N 2 0 315.505 3.806 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123423830 1037769754 /nfs/dbraw/zinc/76/97/54/1037769754.db2.gz ZIVJQYXHXIQWGD-GUDVDZBRSA-N 2 0 318.505 3.515 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201568063 1037783678 /nfs/dbraw/zinc/78/36/78/1037783678.db2.gz MZQDVELXEGRVLS-KRWDZBQOSA-N 2 0 310.526 3.778 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCCc1ccccc1 ZINC001201673813 1037827098 /nfs/dbraw/zinc/82/70/98/1037827098.db2.gz PVBHSDCESCDXML-PMACEKPBSA-N 2 0 300.490 3.958 20 0 DHADRP Clc1ccc(C2CC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000037648918 1037838428 /nfs/dbraw/zinc/83/84/28/1037838428.db2.gz PMIGTHWDWCYGBN-BZOOQXSSSA-N 2 0 304.865 3.660 20 0 DHADRP CCc1ccc([C@@H]([NH2+]CCCC[NH+](C)C)c2cccnc2)cc1 ZINC000924857252 1037849679 /nfs/dbraw/zinc/84/96/79/1037849679.db2.gz ZWBLHOXRCICYSU-HXUWFJFHSA-N 2 0 311.473 3.665 20 0 DHADRP CCCC[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001201711958 1037852182 /nfs/dbraw/zinc/85/21/82/1037852182.db2.gz ZQSDCXVVOSGHLT-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP CCSc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000186240750 1037882967 /nfs/dbraw/zinc/88/29/67/1037882967.db2.gz ZNNUTZRSEOPILG-CRAIPNDOSA-N 2 0 306.519 3.961 20 0 DHADRP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C)c1 ZINC001201857389 1037907922 /nfs/dbraw/zinc/90/79/22/1037907922.db2.gz JYEOZWQFBGCTRS-UHFFFAOYSA-N 2 0 316.489 3.748 20 0 DHADRP COC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000186515027 1037910102 /nfs/dbraw/zinc/91/01/02/1037910102.db2.gz HWLQZVGPEVUOIE-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP Cc1nc(F)ccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC001201850485 1037920088 /nfs/dbraw/zinc/92/00/88/1037920088.db2.gz FAVUXXSWXFSJCH-CYBMUJFWSA-N 2 0 310.376 3.566 20 0 DHADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564908 1037953150 /nfs/dbraw/zinc/95/31/50/1037953150.db2.gz VRGYGFZSRFERNO-QEJZJMRPSA-N 2 0 300.368 3.515 20 0 DHADRP CN(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000125861475 1037972122 /nfs/dbraw/zinc/97/21/22/1037972122.db2.gz DFJSHWHGIYPYSV-UHFFFAOYSA-N 2 0 315.505 3.510 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125954751 1037993491 /nfs/dbraw/zinc/99/34/91/1037993491.db2.gz QMKLBTVAWSDDAK-OXJNMPFZSA-N 2 0 316.489 3.783 20 0 DHADRP CCCc1csc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000494311246 1038033173 /nfs/dbraw/zinc/03/31/73/1038033173.db2.gz MGQKMGGKOKGYBC-HOTGVXAUSA-N 2 0 323.550 3.943 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000126198868 1038047230 /nfs/dbraw/zinc/04/72/30/1038047230.db2.gz SGAQARCZDRJFOD-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000126288087 1038052967 /nfs/dbraw/zinc/05/29/67/1038052967.db2.gz SETHCKAEQKCCJP-ZIAGYGMSSA-N 2 0 317.502 3.720 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000126681650 1038084071 /nfs/dbraw/zinc/08/40/71/1038084071.db2.gz KDEVJAJLDQBIMB-WMLDXEAASA-N 2 0 322.880 3.794 20 0 DHADRP COc1cc(C)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000571492370 1038149762 /nfs/dbraw/zinc/14/97/62/1038149762.db2.gz IFDBUVRKJSPNPL-UHFFFAOYSA-N 2 0 304.478 3.556 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000571735991 1038200728 /nfs/dbraw/zinc/20/07/28/1038200728.db2.gz WPIDDDGLDYNMPL-KRWDZBQOSA-N 2 0 322.880 3.875 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000127699053 1038209188 /nfs/dbraw/zinc/20/91/88/1038209188.db2.gz KUKZVBWGQMIMNN-HUUCEWRRSA-N 2 0 313.272 3.752 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001190817666 1038388215 /nfs/dbraw/zinc/38/82/15/1038388215.db2.gz CWGQMYWZMDEDMN-LJQANCHMSA-N 2 0 322.537 3.778 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cc(C)ccc2C)CC[NH+](C)CC1 ZINC000589349430 1038467608 /nfs/dbraw/zinc/46/76/08/1038467608.db2.gz TZHGYGOVVTXMEC-MRXNPFEDSA-N 2 0 306.519 3.781 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000589349637 1038467915 /nfs/dbraw/zinc/46/79/15/1038467915.db2.gz PPFMMLSMXJISFF-ZDUSSCGKSA-N 2 0 312.548 3.789 20 0 DHADRP c1csc(C2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168391761 1038497833 /nfs/dbraw/zinc/49/78/33/1038497833.db2.gz OFRFGUWHZLTUES-UHFFFAOYSA-N 2 0 304.503 3.802 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000589646208 1038526793 /nfs/dbraw/zinc/52/67/93/1038526793.db2.gz NMQWNPMLTSOQES-UHFFFAOYSA-N 2 0 322.456 3.693 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000573082238 1038783935 /nfs/dbraw/zinc/78/39/35/1038783935.db2.gz AMABXVIVPHZQJE-KUHUBIRLSA-N 2 0 310.441 3.882 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000573082237 1038784571 /nfs/dbraw/zinc/78/45/71/1038784571.db2.gz AMABXVIVPHZQJE-IFXJQAMLSA-N 2 0 310.441 3.882 20 0 DHADRP CC(C)CC1(C)CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000573361317 1038905939 /nfs/dbraw/zinc/90/59/39/1038905939.db2.gz XEFQFXFSERLRKR-UHFFFAOYSA-N 2 0 323.569 3.551 20 0 DHADRP CCCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCc2ncsc2C1 ZINC000646130484 1039003923 /nfs/dbraw/zinc/00/39/23/1039003923.db2.gz VENVGPDHSVRUEV-JKSUJKDBSA-N 2 0 321.534 3.587 20 0 DHADRP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1C ZINC000573653944 1039032869 /nfs/dbraw/zinc/03/28/69/1039032869.db2.gz JCILKQRLJNDAMV-UHFFFAOYSA-N 2 0 304.478 3.556 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000498423602 1039572181 /nfs/dbraw/zinc/57/21/81/1039572181.db2.gz QMHZQWHUJHYPTK-SFHVURJKSA-N 2 0 307.457 3.629 20 0 DHADRP Clc1cccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000606901116 1040029305 /nfs/dbraw/zinc/02/93/05/1040029305.db2.gz BQDQCEBSVFYZCI-MRXNPFEDSA-N 2 0 322.880 3.527 20 0 DHADRP C[C@@H]1CC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000606914515 1040036031 /nfs/dbraw/zinc/03/60/31/1040036031.db2.gz NBQLVOWTQMWJJX-HOTGVXAUSA-N 2 0 304.478 3.541 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498452887 1040129930 /nfs/dbraw/zinc/12/99/30/1040129930.db2.gz OTCIMJFKMLZXJV-IBGZPJMESA-N 2 0 302.437 3.693 20 0 DHADRP CCSCC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000597227673 1040694513 /nfs/dbraw/zinc/69/45/13/1040694513.db2.gz AHJLGLXKFQEJNG-SFHVURJKSA-N 2 0 318.530 3.631 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000534059841 1040698047 /nfs/dbraw/zinc/69/80/47/1040698047.db2.gz VXDWFENLYLAOFR-OAHLLOKOSA-N 2 0 301.261 3.912 20 0 DHADRP COc1c(C)cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000534347812 1040814361 /nfs/dbraw/zinc/81/43/61/1040814361.db2.gz PGSDNQHRUGXTSB-UHFFFAOYSA-N 2 0 318.505 3.864 20 0 DHADRP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000284424589 536644088 /nfs/dbraw/zinc/64/40/88/536644088.db2.gz OVGCVSZJLGLTLT-XKGZKEIXSA-N 2 0 316.489 3.617 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000236826252 202028673 /nfs/dbraw/zinc/02/86/73/202028673.db2.gz HKQDYKHQNXDWCZ-HXUWFJFHSA-N 2 0 324.468 3.697 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000093977894 193334421 /nfs/dbraw/zinc/33/44/21/193334421.db2.gz ITKDTERLKZVPGH-APHBMKBZSA-N 2 0 323.278 3.727 20 0 DHADRP CSC[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000281100165 130836248 /nfs/dbraw/zinc/83/62/48/130836248.db2.gz VVVCENOADFBEQE-ZLPCBKJTSA-N 2 0 306.519 3.771 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340183790 131018019 /nfs/dbraw/zinc/01/80/19/131018019.db2.gz FOBLSAYAGNAULC-APWZRJJASA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000297788007 132033826 /nfs/dbraw/zinc/03/38/26/132033826.db2.gz PWNUTZOGAJAWSP-INIZCTEOSA-N 2 0 313.445 3.866 20 0 DHADRP Cn1cncc1CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000297915900 132040742 /nfs/dbraw/zinc/04/07/42/132040742.db2.gz SRIGKSSKYAEGDE-OAQYLSRUSA-N 2 0 317.436 3.762 20 0 DHADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(C)cs1 ZINC000298237978 132052144 /nfs/dbraw/zinc/05/21/44/132052144.db2.gz BYOSGWOLVPXDJS-MRXNPFEDSA-N 2 0 316.474 3.556 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000119958056 132138652 /nfs/dbraw/zinc/13/86/52/132138652.db2.gz CUTBYXBJHYQNGX-JKSUJKDBSA-N 2 0 316.493 3.734 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000570786919 332815714 /nfs/dbraw/zinc/81/57/14/332815714.db2.gz CGDODXBKECOBRU-ZRLYVQOUSA-N 2 0 308.510 3.575 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000556869746 331744832 /nfs/dbraw/zinc/74/48/32/331744832.db2.gz JZEDWKFKBNVFIW-OAHAVBBTSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000556872997 331745914 /nfs/dbraw/zinc/74/59/14/331745914.db2.gz SXAFTJJHCRIBJL-KBRIMQKVSA-N 2 0 310.432 3.748 20 0 DHADRP c1ccc(C[NH+]2CCCC2)c(CNc2cc[nH+]c3ccccc23)c1 ZINC000558061752 331847807 /nfs/dbraw/zinc/84/78/07/331847807.db2.gz HUOTXFYMLCFPSD-UHFFFAOYSA-N 2 0 317.436 3.865 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000262036395 331879322 /nfs/dbraw/zinc/87/93/22/331879322.db2.gz ZPYBBCBLQQPVHM-LBPRGKRZSA-N 2 0 316.367 3.578 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000262036391 331879328 /nfs/dbraw/zinc/87/93/28/331879328.db2.gz ZPYBBCBLQQPVHM-GFCCVEGCSA-N 2 0 316.367 3.578 20 0 DHADRP Fc1ccc(/C=C/C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000558396503 331901880 /nfs/dbraw/zinc/90/18/80/331901880.db2.gz CKMDWVGWVAQXQP-ONEGZZNKSA-N 2 0 320.427 3.786 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cccc2cccnc21 ZINC000261750346 331958580 /nfs/dbraw/zinc/95/85/80/331958580.db2.gz OVHHIWVDJBPYAP-LPHOPBHVSA-N 2 0 311.473 3.678 20 0 DHADRP CCc1ccc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)nc1 ZINC000580099643 332940145 /nfs/dbraw/zinc/94/01/45/332940145.db2.gz OAQBRTPJADIALE-UHFFFAOYSA-N 2 0 317.521 3.978 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1C ZINC000409447239 332031680 /nfs/dbraw/zinc/03/16/80/332031680.db2.gz FCXVFTNKGBLDJS-BZSNNMDCSA-N 2 0 308.510 3.673 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000409533752 332036357 /nfs/dbraw/zinc/03/63/57/332036357.db2.gz IJLMVAPFOZOAFH-UHFFFAOYSA-N 2 0 302.849 3.734 20 0 DHADRP CCCCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253731 332122931 /nfs/dbraw/zinc/12/29/31/332122931.db2.gz PUMVCROSWBDYBZ-GOSISDBHSA-N 2 0 304.478 3.639 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000566222446 332256483 /nfs/dbraw/zinc/25/64/83/332256483.db2.gz YCKSREIXEXJHDR-XIRDDKMYSA-N 2 0 308.441 3.558 20 0 DHADRP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000566230115 332264135 /nfs/dbraw/zinc/26/41/35/332264135.db2.gz IZJZDOPDBHLAOT-LSDHHAIUSA-N 2 0 316.445 3.596 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000559854756 332285435 /nfs/dbraw/zinc/28/54/35/332285435.db2.gz LEMVHNMMLVXZAC-YZGWKJHDSA-N 2 0 317.521 3.532 20 0 DHADRP COC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000559891778 332289920 /nfs/dbraw/zinc/28/99/20/332289920.db2.gz TZGOEQREKDLHHM-SFHVURJKSA-N 2 0 324.896 3.883 20 0 DHADRP CCN(CC)[C@H](C)C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000560236674 332321273 /nfs/dbraw/zinc/32/12/73/332321273.db2.gz RTYHQLJHYFNQRP-WTLGNFPFSA-N 2 0 304.478 3.507 20 0 DHADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560522044 332350417 /nfs/dbraw/zinc/35/04/17/332350417.db2.gz RDWNPBQLEYWDRH-VAMGGRTRSA-N 2 0 316.489 3.574 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000560528444 332352058 /nfs/dbraw/zinc/35/20/58/332352058.db2.gz FXYDPJFOEWNWLR-WBAXXEDZSA-N 2 0 304.453 3.566 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000560531620 332353281 /nfs/dbraw/zinc/35/32/81/332353281.db2.gz XFTHJOUJDCULCG-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427696334 332491265 /nfs/dbraw/zinc/49/12/65/332491265.db2.gz PNILTFIEUXPFAY-UXHICEINSA-N 2 0 318.505 3.783 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCCCC1 ZINC000525694213 332615287 /nfs/dbraw/zinc/61/52/87/332615287.db2.gz IVADYJFMRIOGMS-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464078487 332639406 /nfs/dbraw/zinc/63/94/06/332639406.db2.gz XVBGRLUIUAWPKT-RTBURBONSA-N 2 0 318.505 3.517 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000105454650 332990149 /nfs/dbraw/zinc/99/01/49/332990149.db2.gz YSMDGRORSDPXHH-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CCC[NH+](CCC)CCCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178210659 333004334 /nfs/dbraw/zinc/00/43/34/333004334.db2.gz FKTZEELHZUIUBA-HNNXBMFYSA-N 2 0 305.466 3.547 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000178748267 333019511 /nfs/dbraw/zinc/01/95/11/333019511.db2.gz DJEJIRVJHRUOCQ-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)sc1C ZINC000178916172 333022355 /nfs/dbraw/zinc/02/23/55/333022355.db2.gz GWVPKECSALBVNZ-UHFFFAOYSA-N 2 0 321.534 3.848 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141999 333037935 /nfs/dbraw/zinc/03/79/35/333037935.db2.gz FPFMSMJVEUMSCB-IOASZLSFSA-N 2 0 314.395 3.881 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc3ccccc23)C1 ZINC000580259495 333043367 /nfs/dbraw/zinc/04/33/67/333043367.db2.gz KIWZFPZWDDUDFF-PBHICJAKSA-N 2 0 300.471 3.817 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000181751708 333064456 /nfs/dbraw/zinc/06/44/56/333064456.db2.gz FUMMVBUIVZMECW-MJGOQNOKSA-N 2 0 301.478 3.856 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2F)c1 ZINC000065976532 335119779 /nfs/dbraw/zinc/11/97/79/335119779.db2.gz GXXVSSTYJFMPJN-UHFFFAOYSA-N 2 0 300.421 3.956 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000314223914 333094800 /nfs/dbraw/zinc/09/48/00/333094800.db2.gz UHQIFVCBJUJSNX-LJQANCHMSA-N 2 0 302.462 3.538 20 0 DHADRP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000366822716 335122273 /nfs/dbraw/zinc/12/22/73/335122273.db2.gz JJCWAUDAYUPLQP-XUVXKRRUSA-N 2 0 315.505 3.852 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000572662875 333169509 /nfs/dbraw/zinc/16/95/09/333169509.db2.gz YMRSWQIRRWXTBG-GGPKGHCWSA-N 2 0 310.441 3.666 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309909984 333207116 /nfs/dbraw/zinc/20/71/16/333207116.db2.gz RMDDHZYQZJFJHR-QGZVFWFLSA-N 2 0 300.471 3.668 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309909983 333207174 /nfs/dbraw/zinc/20/71/74/333207174.db2.gz RMDDHZYQZJFJHR-KRWDZBQOSA-N 2 0 300.471 3.668 20 0 DHADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000310012768 333215787 /nfs/dbraw/zinc/21/57/87/333215787.db2.gz LMCLMQNCROONTJ-OALUTQOASA-N 2 0 312.482 3.702 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000582114934 333287832 /nfs/dbraw/zinc/28/78/32/333287832.db2.gz OTUONFJGFLPZEF-SFHVURJKSA-N 2 0 324.896 3.739 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCOCc1ccccc1 ZINC000390601736 333305946 /nfs/dbraw/zinc/30/59/46/333305946.db2.gz XQAKOYWMHUSMQX-AZUAARDMSA-N 2 0 318.505 3.884 20 0 DHADRP COc1ccc([C@H]([NH2+]CCCC[NH+](C)C)c2ccccc2)cc1 ZINC000390628349 333308003 /nfs/dbraw/zinc/30/80/03/333308003.db2.gz ILXUCIWAXZWIBP-HXUWFJFHSA-N 2 0 312.457 3.716 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000323450745 333309002 /nfs/dbraw/zinc/30/90/02/333309002.db2.gz UNRKUFJTWNWXQZ-UHFFFAOYSA-N 2 0 316.420 3.907 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000390680915 333314730 /nfs/dbraw/zinc/31/47/30/333314730.db2.gz VUANSVAQLQWXDL-LVQVYYBASA-N 2 0 300.437 3.712 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2 ZINC000320735416 335134344 /nfs/dbraw/zinc/13/43/44/335134344.db2.gz AJSYXBWLEZJUGS-GOSISDBHSA-N 2 0 316.489 3.971 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)CCOc2ccccc2Cl)C[C@H]1C ZINC000531379056 333347789 /nfs/dbraw/zinc/34/77/89/333347789.db2.gz UEZDWXBCXNMVAP-CABCVRRESA-N 2 0 310.869 3.523 20 0 DHADRP CC(C)(C)[C@H](CCO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411491385 333681190 /nfs/dbraw/zinc/68/11/90/333681190.db2.gz PUODQALCXDNHTN-IBGZPJMESA-N 2 0 318.505 3.559 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[C@H]1C ZINC000414085775 333893771 /nfs/dbraw/zinc/89/37/71/333893771.db2.gz YUTCNCIWIZCUIP-JLSDUUJJSA-N 2 0 306.519 3.984 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414117887 333906189 /nfs/dbraw/zinc/90/61/89/333906189.db2.gz SYOVZJAKUAVAFY-INIZCTEOSA-N 2 0 304.478 3.776 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414163605 333915738 /nfs/dbraw/zinc/91/57/38/333915738.db2.gz GOIYQBRGGLKANJ-DJJJIMSYSA-N 2 0 309.388 3.887 20 0 DHADRP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414539977 334012995 /nfs/dbraw/zinc/01/29/95/334012995.db2.gz SZLKLRLQLOHTJQ-ROUUACIJSA-N 2 0 301.478 3.855 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1CN1CCC([NH3+])CC1 ZINC000414655348 334056261 /nfs/dbraw/zinc/05/62/61/334056261.db2.gz KSMVFEVLVAKNCV-UHFFFAOYSA-N 2 0 310.441 3.594 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000414662080 334060719 /nfs/dbraw/zinc/06/07/19/334060719.db2.gz PXHXJSKYRLIOSZ-QAPCUYQASA-N 2 0 310.441 3.531 20 0 DHADRP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414663547 334061963 /nfs/dbraw/zinc/06/19/63/334061963.db2.gz SKGUPDOZVFGRAK-OCCSQVGLSA-N 2 0 300.368 3.573 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414663522 334061979 /nfs/dbraw/zinc/06/19/79/334061979.db2.gz BFERZCGYFJRDAJ-DFQSSKMNSA-N 2 0 322.452 3.531 20 0 DHADRP COc1ccc(C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C2CC2)cc1 ZINC000414681389 334067722 /nfs/dbraw/zinc/06/77/22/334067722.db2.gz OXZDZHXFQMUBJU-XYJFISCASA-N 2 0 316.489 3.684 20 0 DHADRP COc1ccc(C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C2CC2)cc1 ZINC000414681383 334067748 /nfs/dbraw/zinc/06/77/48/334067748.db2.gz OXZDZHXFQMUBJU-JFIYKMOQSA-N 2 0 316.489 3.684 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000343531779 335175442 /nfs/dbraw/zinc/17/54/42/335175442.db2.gz OGSYIPSOWXKMGI-TVKQPGBESA-N 2 0 316.489 3.714 20 0 DHADRP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414749482 334084544 /nfs/dbraw/zinc/08/45/44/334084544.db2.gz KDGXCLYFNXRIEJ-LBPRGKRZSA-N 2 0 320.786 3.933 20 0 DHADRP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414781190 334093569 /nfs/dbraw/zinc/09/35/69/334093569.db2.gz MRKMJCWPXVEMCI-GJZGRUSLSA-N 2 0 312.379 3.527 20 0 DHADRP CC(C)[C@@H]([NH3+])C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414800662 334101831 /nfs/dbraw/zinc/10/18/31/334101831.db2.gz SNUHTCUTVPIEPI-IBGZPJMESA-N 2 0 318.411 3.670 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414804269 334103794 /nfs/dbraw/zinc/10/37/94/334103794.db2.gz XCRILPLAUAZQOP-OTWHNJEPSA-N 2 0 304.478 3.683 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000414809331 334105021 /nfs/dbraw/zinc/10/50/21/334105021.db2.gz MDUUJILAEDPTSP-LBPRGKRZSA-N 2 0 301.459 3.720 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414817193 334107095 /nfs/dbraw/zinc/10/70/95/334107095.db2.gz AEUJEAWLLQVTKZ-NFAWXSAZSA-N 2 0 314.395 3.614 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)s2)cc1 ZINC000414824166 334108811 /nfs/dbraw/zinc/10/88/11/334108811.db2.gz AJTGHQQSJNNFQG-OAHLLOKOSA-N 2 0 300.471 3.813 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000414825788 334109522 /nfs/dbraw/zinc/10/95/22/334109522.db2.gz DDDCPIDVSKQYNE-IBGZPJMESA-N 2 0 324.468 3.663 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414836579 334111584 /nfs/dbraw/zinc/11/15/84/334111584.db2.gz SXRUIIATSIMSBB-HIFRSBDPSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414850184 334123264 /nfs/dbraw/zinc/12/32/64/334123264.db2.gz YZBXVRVPBISUJG-STQMWFEESA-N 2 0 300.899 3.702 20 0 DHADRP Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000343615060 335177415 /nfs/dbraw/zinc/17/74/15/335177415.db2.gz CJFRFTVBBIWHSW-GDBMZVCRSA-N 2 0 313.420 3.745 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414853573 334127056 /nfs/dbraw/zinc/12/70/56/334127056.db2.gz LBTWPHBOECPVPM-ZRSLWSEBSA-N 2 0 300.490 3.937 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414852646 334127155 /nfs/dbraw/zinc/12/71/55/334127155.db2.gz KFERXEZAGOBOIG-NEPJUHHUSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2)C1 ZINC000340185123 334141045 /nfs/dbraw/zinc/14/10/45/334141045.db2.gz RTQHMXDPPMKEED-LPHOPBHVSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414874760 334144804 /nfs/dbraw/zinc/14/48/04/334144804.db2.gz JASDVKCUEJKZOX-MSOLQXFVSA-N 2 0 302.462 3.581 20 0 DHADRP CC1(C[NH2+]Cc2cc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000414896037 334160269 /nfs/dbraw/zinc/16/02/69/334160269.db2.gz ATLYUPGSMNVFQE-UHFFFAOYSA-N 2 0 300.471 3.894 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414901540 334165486 /nfs/dbraw/zinc/16/54/86/334165486.db2.gz GDJNWIJWEHZANN-BBRMVZONSA-N 2 0 314.395 3.616 20 0 DHADRP [NH3+]CCCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000414912903 334174906 /nfs/dbraw/zinc/17/49/06/334174906.db2.gz VFYZHDBOIRMWEE-UHFFFAOYSA-N 2 0 306.356 3.586 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000414914047 334175582 /nfs/dbraw/zinc/17/55/82/334175582.db2.gz WQNWSGJJVKWHOW-SWLSCSKDSA-N 2 0 301.261 3.958 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000414914041 334175644 /nfs/dbraw/zinc/17/56/44/334175644.db2.gz WQNWSGJJVKWHOW-DOMZBBRYSA-N 2 0 301.261 3.958 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414922079 334182404 /nfs/dbraw/zinc/18/24/04/334182404.db2.gz GGPKWWKGGXGKBS-ZULIPRJHSA-N 2 0 316.489 3.969 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414930338 334193937 /nfs/dbraw/zinc/19/39/37/334193937.db2.gz ANBPRYYMAUQEFQ-XJKSGUPXSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293684550 334200880 /nfs/dbraw/zinc/20/08/80/334200880.db2.gz RQEMBXUKBFKWRB-SOLBZPMBSA-N 2 0 316.489 3.566 20 0 DHADRP C[C@@H](C[NH2+]C1(C)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414947577 334205564 /nfs/dbraw/zinc/20/55/64/334205564.db2.gz WUDCZNKAVFKBJT-LBPRGKRZSA-N 2 0 300.368 3.541 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+]C3(C)CC[NH2+]CC3)s2)cc1 ZINC000414946891 334206209 /nfs/dbraw/zinc/20/62/09/334206209.db2.gz UVDFCNRGLDJFOW-UHFFFAOYSA-N 2 0 300.471 3.955 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC[NH2+]1 ZINC000414955766 334208162 /nfs/dbraw/zinc/20/81/62/334208162.db2.gz UOGRZDLIKDXPKY-SWLSCSKDSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC[NH2+]1 ZINC000414960319 334212259 /nfs/dbraw/zinc/21/22/59/334212259.db2.gz YCYHFSWEYWLECA-GXTWGEPZSA-N 2 0 304.434 3.784 20 0 DHADRP Clc1cc2cccnc2c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414960993 334212520 /nfs/dbraw/zinc/21/25/20/334212520.db2.gz BBQCQXBDXHJICG-MRXNPFEDSA-N 2 0 303.837 3.510 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000415084565 334273027 /nfs/dbraw/zinc/27/30/27/334273027.db2.gz OUQNZFKXEDSHDH-JZXOWHBKSA-N 2 0 304.478 3.760 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000295056934 334216616 /nfs/dbraw/zinc/21/66/16/334216616.db2.gz PYXYYTBBZMHLFQ-SCIMBWJRSA-N 2 0 313.489 3.631 20 0 DHADRP c1ccc2cc(OCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000415082450 334273223 /nfs/dbraw/zinc/27/32/23/334273223.db2.gz LSOFFGAKWSQOMV-NJYVYQBISA-N 2 0 324.468 3.729 20 0 DHADRP Clc1ccc(OCC2CC2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414969248 334218122 /nfs/dbraw/zinc/21/81/22/334218122.db2.gz SRRRGEVUEGTMBS-KRWDZBQOSA-N 2 0 322.880 3.751 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414976831 334222766 /nfs/dbraw/zinc/22/27/66/334222766.db2.gz QKMSCQKFBOBXBW-CYBMUJFWSA-N 2 0 317.260 3.624 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(OC(F)F)cc1C ZINC000414988430 334229602 /nfs/dbraw/zinc/22/96/02/334229602.db2.gz FZIYPAAMVYTDBW-ZFWWWQNUSA-N 2 0 312.404 3.512 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414992006 334230834 /nfs/dbraw/zinc/23/08/34/334230834.db2.gz BKUYVSOMYPVIJF-WQCNXYOZSA-N 2 0 304.453 3.687 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000414997961 334236388 /nfs/dbraw/zinc/23/63/88/334236388.db2.gz QGSWHFWBUZJNJD-PWSUYJOCSA-N 2 0 318.795 3.549 20 0 DHADRP c1sc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1-c1ccccc1 ZINC000415000835 334239712 /nfs/dbraw/zinc/23/97/12/334239712.db2.gz BPHAKOVPTYIMNV-RBUKOAKNSA-N 2 0 312.482 3.893 20 0 DHADRP Cc1ccsc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002267 334240434 /nfs/dbraw/zinc/24/04/34/334240434.db2.gz LVALEGHZMIDPPI-DOTOQJQBSA-N 2 0 318.461 3.679 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415012943 334258178 /nfs/dbraw/zinc/25/81/78/334258178.db2.gz JWPUTTVPWSZUJT-MRXNPFEDSA-N 2 0 312.457 3.969 20 0 DHADRP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415012820 334258243 /nfs/dbraw/zinc/25/82/43/334258243.db2.gz XORKZSAXKOSCMU-UCLAIMLFSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000415018530 334258982 /nfs/dbraw/zinc/25/89/82/334258982.db2.gz HBUXTOQNQTYEGB-GFCCVEGCSA-N 2 0 315.442 3.773 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000415018423 334259149 /nfs/dbraw/zinc/25/91/49/334259149.db2.gz BUSQMPQATIIGOQ-ULQDDVLXSA-N 2 0 310.432 3.608 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccccc1 ZINC000415051966 334259156 /nfs/dbraw/zinc/25/91/56/334259156.db2.gz KGVAHMZLOBYFDL-KRWDZBQOSA-N 2 0 308.347 3.674 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000415020249 334259305 /nfs/dbraw/zinc/25/93/05/334259305.db2.gz JKURKFPSKPEODF-OAHLLOKOSA-N 2 0 316.420 3.622 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000415020246 334259383 /nfs/dbraw/zinc/25/93/83/334259383.db2.gz JKURKFPSKPEODF-HNNXBMFYSA-N 2 0 316.420 3.622 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415027813 334260101 /nfs/dbraw/zinc/26/01/01/334260101.db2.gz BRPKRSQUAOCQQT-IVMMDQJWSA-N 2 0 314.395 3.744 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415036024 334260567 /nfs/dbraw/zinc/26/05/67/334260567.db2.gz LAXWDBSBHBZVSP-RNCFNFMXSA-N 2 0 306.759 3.576 20 0 DHADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000415041740 334260895 /nfs/dbraw/zinc/26/08/95/334260895.db2.gz LQNRRDRNHHJZIM-NHCUHLMSSA-N 2 0 321.468 3.713 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415045441 334261168 /nfs/dbraw/zinc/26/11/68/334261168.db2.gz BRSSNIJFIOGCBM-QHAWAJNXSA-N 2 0 323.484 3.550 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415048849 334261440 /nfs/dbraw/zinc/26/14/40/334261440.db2.gz GHRPUFHFUBBLIV-HNAYVOBHSA-N 2 0 300.421 3.827 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000415048241 334261534 /nfs/dbraw/zinc/26/15/34/334261534.db2.gz WRKBASRMYAFDTO-CJNGLKHVSA-N 2 0 322.880 3.878 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000415056292 334261614 /nfs/dbraw/zinc/26/16/14/334261614.db2.gz PTVYIFFVLKCYDC-KRWDZBQOSA-N 2 0 320.383 3.858 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415053348 334261834 /nfs/dbraw/zinc/26/18/34/334261834.db2.gz JQZSPCDYOXNVKP-IIBYNOLFSA-N 2 0 324.468 3.779 20 0 DHADRP COc1ccccc1/C=C\C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415060410 334261973 /nfs/dbraw/zinc/26/19/73/334261973.db2.gz WQWDJIZKHBXQNO-KEEQEYLASA-N 2 0 310.441 3.778 20 0 DHADRP COc1ccccc1/C=C/C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415060413 334261994 /nfs/dbraw/zinc/26/19/94/334261994.db2.gz WQWDJIZKHBXQNO-YRVHBARZSA-N 2 0 310.441 3.778 20 0 DHADRP CCn1nc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c2ccccc21 ZINC000415059136 334262054 /nfs/dbraw/zinc/26/20/54/334262054.db2.gz UMIYHZIUPDIAJJ-GOSISDBHSA-N 2 0 322.456 3.626 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000415074656 334266702 /nfs/dbraw/zinc/26/67/02/334266702.db2.gz PRDARFRKVBGPNB-IUODEOHRSA-N 2 0 300.368 3.541 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000415078512 334270347 /nfs/dbraw/zinc/27/03/47/334270347.db2.gz ITGFGUCVKLVYCM-GOSISDBHSA-N 2 0 318.505 3.731 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000415079126 334270477 /nfs/dbraw/zinc/27/04/77/334270477.db2.gz HPPHABUPQDAUJC-GUDVDZBRSA-N 2 0 300.490 3.766 20 0 DHADRP C[C@H]1C[C@@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000415080882 334271356 /nfs/dbraw/zinc/27/13/56/334271356.db2.gz JWYFFQGUVGKXTK-AAEUAGOBSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415088358 334276923 /nfs/dbraw/zinc/27/69/23/334276923.db2.gz XIGAZTUAZYFTCK-YGONEPDPSA-N 2 0 314.395 3.744 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000415090006 334280093 /nfs/dbraw/zinc/28/00/93/334280093.db2.gz ZNZJDFXPUNZUBO-ZDUSSCGKSA-N 2 0 315.486 3.830 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415094147 334280686 /nfs/dbraw/zinc/28/06/86/334280686.db2.gz WWFUYSIXTFPDLP-KLBWVBMESA-N 2 0 310.869 3.523 20 0 DHADRP c1ccc(C[C@H](C[NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000415118213 334283948 /nfs/dbraw/zinc/28/39/48/334283948.db2.gz JLMWQEYSAJTZKF-OAQYLSRUSA-N 2 0 308.469 3.602 20 0 DHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000415134819 334284407 /nfs/dbraw/zinc/28/44/07/334284407.db2.gz WFTIXBDLUVDNIF-LEWJYISDSA-N 2 0 324.468 3.558 20 0 DHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000415134825 334284609 /nfs/dbraw/zinc/28/46/09/334284609.db2.gz WFTIXBDLUVDNIF-RTWAWAEBSA-N 2 0 324.468 3.558 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415128857 334285374 /nfs/dbraw/zinc/28/53/74/334285374.db2.gz OJUUVVBLCXRVEH-QFBILLFUSA-N 2 0 324.468 3.779 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[NH+](C)C ZINC000531932191 334296644 /nfs/dbraw/zinc/29/66/44/334296644.db2.gz HSLYHNNQOHKMMS-KRWDZBQOSA-N 2 0 302.487 3.882 20 0 DHADRP COc1cc(C)ccc1[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000531942089 334302030 /nfs/dbraw/zinc/30/20/30/334302030.db2.gz VAXOBPPPHMNQQK-INIZCTEOSA-N 2 0 304.478 3.775 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950138 334304185 /nfs/dbraw/zinc/30/41/85/334304185.db2.gz XQTCXRBLAMGWJQ-KEYYUXOJSA-N 2 0 308.897 3.936 20 0 DHADRP CCOc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000535083049 334366470 /nfs/dbraw/zinc/36/64/70/334366470.db2.gz JCEFGEXFWUKOEO-UHFFFAOYSA-N 2 0 304.478 3.638 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000443444085 338451723 /nfs/dbraw/zinc/45/17/23/338451723.db2.gz OEOKCFPNHNOBBE-UHFFFAOYSA-N 2 0 309.457 3.998 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCCS2 ZINC000187965299 334592653 /nfs/dbraw/zinc/59/26/53/334592653.db2.gz AFNBUULKSBVASR-KRWDZBQOSA-N 2 0 320.502 3.554 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417301362 334704200 /nfs/dbraw/zinc/70/42/00/334704200.db2.gz AHYFWCMJZCCMEG-BHYGNILZSA-N 2 0 306.519 3.950 20 0 DHADRP Cc1ccc2cc(C[NH2+]Cc3ccc(C[NH+](C)C)cc3)ccc2n1 ZINC000189235557 334886652 /nfs/dbraw/zinc/88/66/52/334886652.db2.gz FDXQWKAVHVMRGW-UHFFFAOYSA-N 2 0 319.452 3.895 20 0 DHADRP Oc1ccc(C2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000343634758 335183347 /nfs/dbraw/zinc/18/33/47/335183347.db2.gz UKJWGNMRAKPQCG-SOTJZCEJSA-N 2 0 314.473 3.635 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344116868 335218369 /nfs/dbraw/zinc/21/83/69/335218369.db2.gz XJPPICXVJJGWJC-KXBFYZLASA-N 2 0 304.453 3.913 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000344136756 335220728 /nfs/dbraw/zinc/22/07/28/335220728.db2.gz UVYFHQQFFNVMPE-GOSISDBHSA-N 2 0 324.453 3.878 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C12CCCC2 ZINC000344106427 335223668 /nfs/dbraw/zinc/22/36/68/335223668.db2.gz JXNLZZHWZDDNRZ-OALUTQOASA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000344310821 335239737 /nfs/dbraw/zinc/23/97/37/335239737.db2.gz WJUCHQLBHWLUCQ-CQSZACIVSA-N 2 0 313.470 3.723 20 0 DHADRP CC(C)c1nccn1[C@H]1CCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000366874869 335266286 /nfs/dbraw/zinc/26/62/86/335266286.db2.gz WDEVHQCASSGIKL-INIZCTEOSA-N 2 0 315.465 3.621 20 0 DHADRP CC[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345191166 335306470 /nfs/dbraw/zinc/30/64/70/335306470.db2.gz QXKWCCQCDXTWHA-OAHLLOKOSA-N 2 0 300.368 3.669 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346060118 335371644 /nfs/dbraw/zinc/37/16/44/335371644.db2.gz IMFHQSFZRUUNSE-CABCVRRESA-N 2 0 308.416 3.629 20 0 DHADRP Cc1ccc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000346127277 335376855 /nfs/dbraw/zinc/37/68/55/335376855.db2.gz AVKPUTMDLRQKFG-UHFFFAOYSA-N 2 0 312.442 3.578 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000346176880 335378025 /nfs/dbraw/zinc/37/80/25/335378025.db2.gz SAXNHEUFIZOMJI-ROUUACIJSA-N 2 0 310.526 3.636 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000346147126 335381604 /nfs/dbraw/zinc/38/16/04/335381604.db2.gz UUDGJFNJYOEWIL-OAHLLOKOSA-N 2 0 324.403 3.908 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000346147124 335381691 /nfs/dbraw/zinc/38/16/91/335381691.db2.gz UUDGJFNJYOEWIL-HNNXBMFYSA-N 2 0 324.403 3.908 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000346158455 335383171 /nfs/dbraw/zinc/38/31/71/335383171.db2.gz BXRBGKRPJIQCME-HNNXBMFYSA-N 2 0 318.424 3.523 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000346200245 335389551 /nfs/dbraw/zinc/38/95/51/335389551.db2.gz LTBKTVDLOMTSHP-QRWLVFNGSA-N 2 0 318.424 3.769 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000346200243 335389562 /nfs/dbraw/zinc/38/95/62/335389562.db2.gz LTBKTVDLOMTSHP-MGPUTAFESA-N 2 0 318.424 3.769 20 0 DHADRP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346212393 335390679 /nfs/dbraw/zinc/39/06/79/335390679.db2.gz XCAKFKBGPDWYGL-BEFAXECRSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nccn1CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000346306566 335398335 /nfs/dbraw/zinc/39/83/35/335398335.db2.gz ISSJPAPQKHQTSQ-NRFANRHFSA-N 2 0 317.436 3.991 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000347027213 335464408 /nfs/dbraw/zinc/46/44/08/335464408.db2.gz UWIVJCVXBRWVLN-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000347102606 335470808 /nfs/dbraw/zinc/47/08/08/335470808.db2.gz MPWDKJKHBQWFMA-KRWDZBQOSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000347927142 335539295 /nfs/dbraw/zinc/53/92/95/335539295.db2.gz CBBDQHGQYAEXCI-HLIPFELVSA-N 2 0 315.505 3.891 20 0 DHADRP Cc1ccc(C)n1C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351638943 336053990 /nfs/dbraw/zinc/05/39/90/336053990.db2.gz NVTMETPZQVZXDR-GOSISDBHSA-N 2 0 303.494 3.616 20 0 DHADRP CCc1nocc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000351731113 336063180 /nfs/dbraw/zinc/06/31/80/336063180.db2.gz NGCSSIPDKSOKCO-MRXNPFEDSA-N 2 0 319.493 3.714 20 0 DHADRP C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000352050952 336192171 /nfs/dbraw/zinc/19/21/71/336192171.db2.gz WYPNUCKMMGDYCZ-PKOBYXMFSA-N 2 0 304.453 3.723 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000395632595 336219234 /nfs/dbraw/zinc/21/92/34/336219234.db2.gz DMNNERQAIPFPFV-UHFFFAOYSA-N 2 0 304.478 3.610 20 0 DHADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000352487558 336221536 /nfs/dbraw/zinc/22/15/36/336221536.db2.gz GGKHMPBVOOQDRO-OAHLLOKOSA-N 2 0 301.459 3.513 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324509790 336223936 /nfs/dbraw/zinc/22/39/36/336223936.db2.gz UAMCOKYPMJYKTG-IYBDPMFKSA-N 2 0 304.437 3.688 20 0 DHADRP CCc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000352744179 336234353 /nfs/dbraw/zinc/23/43/53/336234353.db2.gz YVNCNHJDEJRVTO-YLJYHZDGSA-N 2 0 323.484 3.644 20 0 DHADRP CC[N@@H+]1CCC[C@H](CNCc2cscc2C(F)(F)F)C1 ZINC000352797686 336237777 /nfs/dbraw/zinc/23/77/77/336237777.db2.gz MVCMECATEPDOHU-LLVKDONJSA-N 2 0 306.397 3.588 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000532459428 336248528 /nfs/dbraw/zinc/24/85/28/336248528.db2.gz QRQFVTZRHLTDBQ-LNLFQRSKSA-N 2 0 310.526 3.539 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCN2CCC(C)CC2)cc1 ZINC000532459452 336248555 /nfs/dbraw/zinc/24/85/55/336248555.db2.gz SJBKNPWJFKAMEW-IRXDYDNUSA-N 2 0 304.478 3.509 20 0 DHADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000532485189 336251685 /nfs/dbraw/zinc/25/16/85/336251685.db2.gz MTYGQPGEVGQCDQ-ARFHVFGLSA-N 2 0 321.484 3.663 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000532519163 336253497 /nfs/dbraw/zinc/25/34/97/336253497.db2.gz METVJOHJGTZLED-KRWDZBQOSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192933934 336285213 /nfs/dbraw/zinc/28/52/13/336285213.db2.gz LYDKTPPZLXSJFJ-QGZVFWFLSA-N 2 0 300.471 3.668 20 0 DHADRP CC[N@H+](C)Cc1cccc(CNc2ccnc(C(C)(C)C)n2)c1 ZINC000301452730 336307656 /nfs/dbraw/zinc/30/76/56/336307656.db2.gz UVKGGRHRCQEUBQ-UHFFFAOYSA-N 2 0 312.461 3.838 20 0 DHADRP CCCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2[nH+]1 ZINC000301776372 336328969 /nfs/dbraw/zinc/32/89/69/336328969.db2.gz GSOAUOJDMJZWBF-SJORKVTESA-N 2 0 309.457 3.860 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352888166 336342273 /nfs/dbraw/zinc/34/22/73/336342273.db2.gz MPUGZLHSALLTPW-UHFFFAOYSA-N 2 0 324.896 3.534 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccccc2C(F)(F)F)CC1 ZINC000352892081 336358209 /nfs/dbraw/zinc/35/82/09/336358209.db2.gz HNQWQZWVWXIPTA-UHFFFAOYSA-N 2 0 312.379 3.766 20 0 DHADRP FC1(F)CCC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000514116138 336367574 /nfs/dbraw/zinc/36/75/74/336367574.db2.gz XXLCRNUIFPMLBN-YQQAZPJKSA-N 2 0 312.448 3.761 20 0 DHADRP CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034995847 336389675 /nfs/dbraw/zinc/38/96/75/336389675.db2.gz CUUSJVTWZJOLPF-MRXNPFEDSA-N 2 0 300.471 3.989 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000110644743 336397043 /nfs/dbraw/zinc/39/70/43/336397043.db2.gz SALFFWOWIGNOMR-RYUDHWBXSA-N 2 0 311.267 3.569 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cn1 ZINC000353358741 336413343 /nfs/dbraw/zinc/41/33/43/336413343.db2.gz ZXCJSVFBLLGJQO-IBGZPJMESA-N 2 0 315.436 3.769 20 0 DHADRP CSC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC[NH+](C)CC1 ZINC000353624907 336429646 /nfs/dbraw/zinc/42/96/46/336429646.db2.gz FLFLACPKDGEIPJ-KRWDZBQOSA-N 2 0 322.493 3.620 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000354588053 336475924 /nfs/dbraw/zinc/47/59/24/336475924.db2.gz UYVSNMYTQLVQPZ-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H](CC[NH+]1CCC(CC[NH+](C)C)CC1)OCc1ccccc1 ZINC000354871601 336485800 /nfs/dbraw/zinc/48/58/00/336485800.db2.gz NGWZZZWNTJRFQA-SFHVURJKSA-N 2 0 318.505 3.646 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000356084712 336535025 /nfs/dbraw/zinc/53/50/25/336535025.db2.gz LJNQOGZHHFPRGM-UHFFFAOYSA-N 2 0 306.397 3.541 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000357023308 336570787 /nfs/dbraw/zinc/57/07/87/336570787.db2.gz VUHLGCOXXDBZCE-MSOLQXFVSA-N 2 0 310.526 3.636 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000360957371 336729596 /nfs/dbraw/zinc/72/95/96/336729596.db2.gz MEGRNLLWMCIFEU-GOSISDBHSA-N 2 0 310.526 3.802 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000121783575 336977547 /nfs/dbraw/zinc/97/75/47/336977547.db2.gz QFXHWDNRSXWRAY-OAHLLOKOSA-N 2 0 307.507 3.541 20 0 DHADRP CC(C)n1nccc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000375669888 337016172 /nfs/dbraw/zinc/01/61/72/337016172.db2.gz WVVDMQGHLOYYPP-UHFFFAOYSA-N 2 0 318.509 3.597 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000375783178 337019404 /nfs/dbraw/zinc/01/94/04/337019404.db2.gz QJEJZTYWXCLUPH-MHJFOBGBSA-N 2 0 316.489 3.588 20 0 DHADRP COCCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000122947262 337030818 /nfs/dbraw/zinc/03/08/18/337030818.db2.gz WDOMIPMFMVTKLK-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000376414460 337032869 /nfs/dbraw/zinc/03/28/69/337032869.db2.gz LEIDICDXHCTLDZ-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376417055 337032986 /nfs/dbraw/zinc/03/29/86/337032986.db2.gz WHADYQDDWVZCLD-VCWRXUFXSA-N 2 0 322.537 3.826 20 0 DHADRP c1cc2c(cccc2CC[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000376987300 337044757 /nfs/dbraw/zinc/04/47/57/337044757.db2.gz WMVZGSPUIQXDCB-UHFFFAOYSA-N 2 0 311.473 3.707 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000377121614 337047192 /nfs/dbraw/zinc/04/71/92/337047192.db2.gz WJNLARLHTSEXDC-FPOVZHCZSA-N 2 0 323.484 3.959 20 0 DHADRP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000377391067 337051784 /nfs/dbraw/zinc/05/17/84/337051784.db2.gz LJPRMYQEZZNQMI-LJQANCHMSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@H+](CCC1CCCCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000377647248 337057558 /nfs/dbraw/zinc/05/75/58/337057558.db2.gz JZKLYGHCOOJPCK-UHFFFAOYSA-N 2 0 322.537 3.922 20 0 DHADRP CCC[C@@H](C)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378440487 337072766 /nfs/dbraw/zinc/07/27/66/337072766.db2.gz BIHQWYFPHKQSHH-GOSISDBHSA-N 3 0 323.569 3.551 20 0 DHADRP CC(C)C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000378473149 337073743 /nfs/dbraw/zinc/07/37/43/337073743.db2.gz HWEKCXOFCWSGLS-MJGOQNOKSA-N 2 0 308.510 3.577 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000178035929 337159890 /nfs/dbraw/zinc/15/98/90/337159890.db2.gz GVUSRSMTWLKCGU-ROUUACIJSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000178752835 337164964 /nfs/dbraw/zinc/16/49/64/337164964.db2.gz RICXBXHTOXQCPZ-AWEZNQCLSA-N 2 0 315.486 3.803 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2[C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000582932604 337216009 /nfs/dbraw/zinc/21/60/09/337216009.db2.gz KODCJMLLUGYMEY-PMXSJFBMSA-N 2 0 312.501 3.913 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000583170608 337250934 /nfs/dbraw/zinc/25/09/34/337250934.db2.gz FONCQUWJUPCEOS-HHXXYDBFSA-N 2 0 304.453 3.563 20 0 DHADRP C[N@H+](CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000321953665 337306843 /nfs/dbraw/zinc/30/68/43/337306843.db2.gz MCMDYLDBHFPNCU-SLFFLAALSA-N 2 0 321.553 3.541 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CCC2 ZINC000123689728 337400560 /nfs/dbraw/zinc/40/05/60/337400560.db2.gz UMQGTWUFRRFIDH-INIZCTEOSA-N 2 0 315.486 3.680 20 0 DHADRP C1CCC2(C1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000127052902 337418916 /nfs/dbraw/zinc/41/89/16/337418916.db2.gz GYUZMGPOGRDFCK-GOSISDBHSA-N 2 0 320.521 3.865 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000131314613 337437274 /nfs/dbraw/zinc/43/72/74/337437274.db2.gz VOZRRGLCJOHYCN-UKRRQHHQSA-N 2 0 309.523 3.929 20 0 DHADRP Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420182249 337496219 /nfs/dbraw/zinc/49/62/19/337496219.db2.gz GEJAUEFXAWKHBJ-ABAIWWIYSA-N 2 0 303.837 3.679 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420387462 337500515 /nfs/dbraw/zinc/50/05/15/337500515.db2.gz VWGZZNYMRKJCNG-JEBQAFNWSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000421377825 337528814 /nfs/dbraw/zinc/52/88/14/337528814.db2.gz SBKJYGXIBWVGCW-TXQGORRRSA-N 2 0 315.505 3.879 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000421378836 337529038 /nfs/dbraw/zinc/52/90/38/337529038.db2.gz WGIBPTDAJYMGFH-UHFFFAOYSA-N 2 0 315.486 3.773 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000246987380 337556691 /nfs/dbraw/zinc/55/66/91/337556691.db2.gz KMUPFGKPIIVQSE-DZKIICNBSA-N 2 0 310.507 3.597 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000571908334 337580451 /nfs/dbraw/zinc/58/04/51/337580451.db2.gz YHCIRXUDIDSTQU-AWEZNQCLSA-N 2 0 317.246 3.629 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421866007 337656696 /nfs/dbraw/zinc/65/66/96/337656696.db2.gz ADQIIWVKTFNVLO-LEOMRAHMSA-N 2 0 302.462 3.671 20 0 DHADRP COc1cc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)ccc1SC ZINC000421892540 337659291 /nfs/dbraw/zinc/65/92/91/337659291.db2.gz ZHUJFBDEEUMRCP-JEYLPNPQSA-N 2 0 322.518 3.941 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)c21 ZINC000422720610 337684138 /nfs/dbraw/zinc/68/41/38/337684138.db2.gz SUNAHGLQUWKNAR-AWEZNQCLSA-N 2 0 322.456 3.532 20 0 DHADRP C[C@@H](NC1(C[NH2+][C@@H](C)CCCC[NH3+])CCCC1)c1ccccc1 ZINC000422751862 337684988 /nfs/dbraw/zinc/68/49/88/337684988.db2.gz AIYOPGQXQJDFOV-ZWKOTPCHSA-N 2 0 317.521 3.757 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422754771 337685290 /nfs/dbraw/zinc/68/52/90/337685290.db2.gz GDRRSVIUWBEYCK-FGTMMUONSA-N 2 0 304.453 3.614 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422794049 337686914 /nfs/dbraw/zinc/68/69/14/337686914.db2.gz YDHIOTIFBXRMSK-CYBMUJFWSA-N 2 0 314.395 3.844 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422792883 337686976 /nfs/dbraw/zinc/68/69/76/337686976.db2.gz ZYRIGZSFAWVNAH-SFHVURJKSA-N 3 0 317.521 3.670 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422799256 337687106 /nfs/dbraw/zinc/68/71/06/337687106.db2.gz VXVYXPYYGXHKAW-PWRODBHTSA-N 2 0 324.468 3.859 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422801958 337687269 /nfs/dbraw/zinc/68/72/69/337687269.db2.gz CRWQTVCPOGANLT-FUMNGEBKSA-N 2 0 316.489 3.583 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc2)cs1 ZINC000422801494 337687414 /nfs/dbraw/zinc/68/74/14/337687414.db2.gz FOMSVEGBMNZCFK-STQMWFEESA-N 2 0 303.475 3.897 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422807204 337687531 /nfs/dbraw/zinc/68/75/31/337687531.db2.gz JICHQVUOPJBFGU-LWYYNNOASA-N 2 0 300.490 3.937 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(OC2CCCC2)c1 ZINC000422818230 337688002 /nfs/dbraw/zinc/68/80/02/337688002.db2.gz FSFVVWZNDAAKMF-OAHLLOKOSA-N 2 0 320.477 3.624 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422875550 337689517 /nfs/dbraw/zinc/68/95/17/337689517.db2.gz PCROGNYIAAXZGG-KGLIPLIRSA-N 2 0 308.441 3.783 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422877883 337689670 /nfs/dbraw/zinc/68/96/70/337689670.db2.gz SFNIOGPIIASXQQ-XYJFISCASA-N 2 0 304.478 3.650 20 0 DHADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422891306 337690186 /nfs/dbraw/zinc/69/01/86/337690186.db2.gz VCVWJNCUXYBKEM-CEXWTWQISA-N 2 0 322.537 3.874 20 0 DHADRP CCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422891040 337690254 /nfs/dbraw/zinc/69/02/54/337690254.db2.gz ULNFEFUIACAEDK-YLJYHZDGSA-N 2 0 314.473 3.802 20 0 DHADRP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422908503 337690828 /nfs/dbraw/zinc/69/08/28/337690828.db2.gz MSKFZEZCTUIUCY-GVDBMIGSSA-N 2 0 321.534 3.675 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccc(C)cc2)cc1 ZINC000422935079 337692260 /nfs/dbraw/zinc/69/22/60/337692260.db2.gz KLQZJAFVJLCOOI-TWOQFEAHSA-N 2 0 312.457 3.808 20 0 DHADRP C[C@@H]([NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1C[NH2+]C1 ZINC000422936165 337692379 /nfs/dbraw/zinc/69/23/79/337692379.db2.gz FAXBFDZSNKRJPJ-AUUYWEPGSA-N 2 0 314.860 3.821 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000422937787 337692560 /nfs/dbraw/zinc/69/25/60/337692560.db2.gz OVCIHDVGQQSPHF-YJBOKZPZSA-N 2 0 316.420 3.663 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000422943748 337692862 /nfs/dbraw/zinc/69/28/62/337692862.db2.gz KRNWFHNAUXXYLD-OAHLLOKOSA-N 2 0 319.452 3.895 20 0 DHADRP c1ccc(C2([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422944547 337692986 /nfs/dbraw/zinc/69/29/86/337692986.db2.gz ZWMPYZKLDSQYTC-UYAOXDASSA-N 2 0 320.436 3.521 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccc(F)cc2)cc1 ZINC000422946293 337693183 /nfs/dbraw/zinc/69/31/83/337693183.db2.gz OSUZTXXNFGYUDN-BIENJYKASA-N 2 0 316.420 3.639 20 0 DHADRP Cc1cccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])c2)c1 ZINC000422903944 337693304 /nfs/dbraw/zinc/69/33/04/337693304.db2.gz GCTRBTBTRGMJPP-TYCQWZJGSA-N 2 0 324.468 3.504 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000422998466 337694140 /nfs/dbraw/zinc/69/41/40/337694140.db2.gz CVMIGSYXZSCXHP-MOPGFXCFSA-N 2 0 304.478 3.652 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc2ccccc2c1 ZINC000422948514 337694194 /nfs/dbraw/zinc/69/41/94/337694194.db2.gz SCGNHGFHXBXMEI-VGSWGCGISA-N 2 0 318.464 3.930 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422952563 337694696 /nfs/dbraw/zinc/69/46/96/337694696.db2.gz BHQBJMGWRALVPX-BEFAXECRSA-N 2 0 310.441 3.894 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000422955370 337694762 /nfs/dbraw/zinc/69/47/62/337694762.db2.gz JCIVLXGNYBXMSX-GRTSSRMGSA-N 2 0 301.459 3.731 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000422969862 337695248 /nfs/dbraw/zinc/69/52/48/337695248.db2.gz DSISNQUBGBYDHM-CQSZACIVSA-N 2 0 321.424 3.960 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423054833 337697271 /nfs/dbraw/zinc/69/72/71/337697271.db2.gz VGGONUVGQFSNPW-OTWHNJEPSA-N 2 0 312.457 3.794 20 0 DHADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423056178 337697499 /nfs/dbraw/zinc/69/74/99/337697499.db2.gz FLVLYRRPLLMGDQ-GBESFXJTSA-N 2 0 315.505 3.542 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423068652 337698073 /nfs/dbraw/zinc/69/80/73/337698073.db2.gz KJFARHGUPSSXES-IUODEOHRSA-N 2 0 314.395 3.700 20 0 DHADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000423079908 337698606 /nfs/dbraw/zinc/69/86/06/337698606.db2.gz YUZSHHAICWVAFY-INIZCTEOSA-N 2 0 310.441 3.668 20 0 DHADRP C[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCC1)C1C[NH2+]C1 ZINC000423108335 337699987 /nfs/dbraw/zinc/69/99/87/337699987.db2.gz QZJMTRNSOMEVJT-ZBEGNZNMSA-N 2 0 312.379 3.744 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113963 337700239 /nfs/dbraw/zinc/70/02/39/337700239.db2.gz ZKOKYDOHEGLLDW-ZIAGYGMSSA-N 2 0 300.899 3.974 20 0 DHADRP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423120366 337700468 /nfs/dbraw/zinc/70/04/68/337700468.db2.gz GEENKFYGHOSWKO-ZRJCITRHSA-N 2 0 310.894 3.899 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000423125931 337700540 /nfs/dbraw/zinc/70/05/40/337700540.db2.gz IMNRSLGZOSBAKG-LLDVTBCESA-N 2 0 322.518 3.651 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423128340 337700768 /nfs/dbraw/zinc/70/07/68/337700768.db2.gz VRYBLYAREPLQCN-VBSBHUPXSA-N 2 0 316.489 3.807 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423128096 337700770 /nfs/dbraw/zinc/70/07/70/337700770.db2.gz VBORYCLYGXKZTF-OXJNMPFZSA-N 2 0 312.457 3.696 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138297 337701291 /nfs/dbraw/zinc/70/12/91/337701291.db2.gz XPAMXXOVNAAKPC-YEWWUXTCSA-N 2 0 313.420 3.585 20 0 DHADRP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423144973 337701545 /nfs/dbraw/zinc/70/15/45/337701545.db2.gz INKWRHGNSQOPDV-XGXHKWSGSA-N 2 0 302.437 3.713 20 0 DHADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423152826 337701824 /nfs/dbraw/zinc/70/18/24/337701824.db2.gz MNLWDLRLGIETEB-YTQUADARSA-N 2 0 304.453 3.577 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423169219 337702200 /nfs/dbraw/zinc/70/22/00/337702200.db2.gz VRVIYJJAVGIFCX-KQBLMWHVSA-N 2 0 304.865 3.849 20 0 DHADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423170426 337702319 /nfs/dbraw/zinc/70/23/19/337702319.db2.gz LVMKIBVKEWCQQO-WAARBJQMSA-N 2 0 302.437 3.582 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000423190097 337703076 /nfs/dbraw/zinc/70/30/76/337703076.db2.gz RONZLNHPTMBURO-CZUORRHYSA-N 2 0 312.379 3.683 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)c2cccc(Br)c21 ZINC000423216797 337704889 /nfs/dbraw/zinc/70/48/89/337704889.db2.gz OXBJTQVIGQKOKK-QZLRTXKQSA-N 2 0 323.278 3.857 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423255713 337707680 /nfs/dbraw/zinc/70/76/80/337707680.db2.gz ANZGPHIKQNXZKX-HOTGVXAUSA-N 2 0 312.457 3.868 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423265643 337708163 /nfs/dbraw/zinc/70/81/63/337708163.db2.gz CNWJXMMQMWGNLJ-IAGOWNOFSA-N 2 0 312.457 3.772 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1Cl ZINC000423277736 337708931 /nfs/dbraw/zinc/70/89/31/337708931.db2.gz QBKZQMNZHYVHCT-YOEHRIQHSA-N 2 0 312.885 3.769 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423284641 337709393 /nfs/dbraw/zinc/70/93/93/337709393.db2.gz YPGKFAOPCUTZPO-QWRGUYRKSA-N 2 0 309.504 3.686 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OCC ZINC000423324844 337712016 /nfs/dbraw/zinc/71/20/16/337712016.db2.gz JDABUTKAORLGPF-HNAYVOBHSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423331439 337712413 /nfs/dbraw/zinc/71/24/13/337712413.db2.gz OJGRWOAQJHLZQG-IUODEOHRSA-N 2 0 300.368 3.746 20 0 DHADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423342955 337712959 /nfs/dbraw/zinc/71/29/59/337712959.db2.gz LDYYWTVIBBZLSG-MRXNPFEDSA-N 2 0 302.462 3.682 20 0 DHADRP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423351277 337713554 /nfs/dbraw/zinc/71/35/54/337713554.db2.gz HSWPAEDKVURDOI-DLBZAZTESA-N 2 0 324.390 3.851 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423352320 337713686 /nfs/dbraw/zinc/71/36/86/337713686.db2.gz ARCIETPPYNLPJF-XJKSGUPXSA-N 2 0 314.395 3.758 20 0 DHADRP Cc1cc([C@@H]([NH2+][C@H](C)CCCC[NH3+])c2cccnc2)ccc1F ZINC000423419094 337716658 /nfs/dbraw/zinc/71/66/58/337716658.db2.gz AJTZFHIWSLDTEC-DNVCBOLYSA-N 2 0 315.436 3.726 20 0 DHADRP Clc1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)cc1 ZINC000423427576 337717084 /nfs/dbraw/zinc/71/70/84/337717084.db2.gz FYWFWLUXIASRNN-WZGPROSRSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423380760 337717650 /nfs/dbraw/zinc/71/76/50/337717650.db2.gz NXLCZASHDXWYIB-OSAQELSMSA-N 2 0 310.894 3.997 20 0 DHADRP COCC1(C[NH2+][C@H](C)c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000423384259 337717785 /nfs/dbraw/zinc/71/77/85/337717785.db2.gz HQRPKFJANROKNG-MRXNPFEDSA-N 2 0 312.457 3.507 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423385504 337718094 /nfs/dbraw/zinc/71/80/94/337718094.db2.gz QVDRDXLRURXXGR-XYJFISCASA-N 2 0 304.478 3.903 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)c(F)c1 ZINC000423395771 337718755 /nfs/dbraw/zinc/71/87/55/337718755.db2.gz RXFICSUUXKXOQO-ZMLRMANQSA-N 2 0 315.230 3.509 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1F ZINC000423430850 337718778 /nfs/dbraw/zinc/71/87/78/337718778.db2.gz URELZESFRNMLLO-MGPQQGTHSA-N 2 0 310.482 3.963 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423433542 337718930 /nfs/dbraw/zinc/71/89/30/337718930.db2.gz NDJLOVXAJOKGEL-QWHCGFSZSA-N 2 0 318.490 3.682 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423446616 337719674 /nfs/dbraw/zinc/71/96/74/337719674.db2.gz SUXWTJJWECSZJG-PWIZWCRZSA-N 2 0 323.484 3.831 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423452587 337719996 /nfs/dbraw/zinc/71/99/96/337719996.db2.gz JWQPDXXUMCXBHI-ABAIWWIYSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423456421 337720404 /nfs/dbraw/zinc/72/04/04/337720404.db2.gz NOQNXGZMVXDZHD-CHWSQXEVSA-N 2 0 302.384 3.744 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423486990 337722313 /nfs/dbraw/zinc/72/23/13/337722313.db2.gz TYHVOHMCUVOCOZ-KZNAEPCWSA-N 2 0 301.478 3.538 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccc1Br ZINC000423493727 337722852 /nfs/dbraw/zinc/72/28/52/337722852.db2.gz QXNNKNLZDWJRMZ-HUBLWGQQSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423493914 337722866 /nfs/dbraw/zinc/72/28/66/337722866.db2.gz RIYDWAAHZITDIV-BJJXKVORSA-N 2 0 308.853 3.579 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000423497138 337722980 /nfs/dbraw/zinc/72/29/80/337722980.db2.gz GCOLDBYXPJEBED-CJNGLKHVSA-N 2 0 303.475 3.891 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)sc1Br ZINC000423506102 337723673 /nfs/dbraw/zinc/72/36/73/337723673.db2.gz MDMVMLFPYYQLHW-DCAQKATOSA-N 2 0 317.296 3.597 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535120 337724849 /nfs/dbraw/zinc/72/48/49/337724849.db2.gz CBWUGRDDTCPZPM-OAHLLOKOSA-N 2 0 308.878 3.776 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C(C)C)cc1 ZINC000423537186 337724982 /nfs/dbraw/zinc/72/49/82/337724982.db2.gz CBQXLSFGMQVKHH-HAGHYFMRSA-N 2 0 300.490 3.540 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423541673 337725209 /nfs/dbraw/zinc/72/52/09/337725209.db2.gz LHGLRIOHHACTON-JDVPTSSJSA-N 2 0 306.881 3.810 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423544520 337725317 /nfs/dbraw/zinc/72/53/17/337725317.db2.gz OIHWKHQCIPPCLC-JFILPPLUSA-N 2 0 322.905 3.855 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423550196 337725394 /nfs/dbraw/zinc/72/53/94/337725394.db2.gz SOSXZEHELFRZGG-RZLSGREXSA-N 2 0 322.880 3.777 20 0 DHADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000527993811 337778544 /nfs/dbraw/zinc/77/85/44/337778544.db2.gz DVXNTCOSEQYTNK-UHFFFAOYSA-N 2 0 317.452 3.620 20 0 DHADRP CC(C)Cc1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)s1 ZINC000093688787 337920202 /nfs/dbraw/zinc/92/02/02/337920202.db2.gz QMFZHHVZWXDFIO-UHFFFAOYSA-N 2 0 323.550 3.895 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000516127336 338004702 /nfs/dbraw/zinc/00/47/02/338004702.db2.gz DCHMJRIUHBAYIW-OALUTQOASA-N 2 0 315.505 3.738 20 0 DHADRP Cc1nc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2s1 ZINC000426411671 338031207 /nfs/dbraw/zinc/03/12/07/338031207.db2.gz MWFPTIUWNLQSHX-WBVHZDCISA-N 2 0 315.486 3.521 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000429432272 338080848 /nfs/dbraw/zinc/08/08/48/338080848.db2.gz UKEAUMIYLKYJLW-MAUKXSAKSA-N 2 0 302.462 3.610 20 0 DHADRP COC1(C[C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000429516994 338082838 /nfs/dbraw/zinc/08/28/38/338082838.db2.gz FSELXXDFQITPRP-FGTMMUONSA-N 2 0 310.526 3.682 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(F)cccc2Cl)[C@H](C)C1 ZINC000429801050 338090293 /nfs/dbraw/zinc/09/02/93/338090293.db2.gz GBLKVUCJCLQEJZ-CXAGYDPISA-N 2 0 312.860 3.684 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4ccccc4)c3)C2)C1 ZINC000430115812 338097791 /nfs/dbraw/zinc/09/77/91/338097791.db2.gz GVCAXTQRWRKDPI-NRFANRHFSA-N 2 0 306.453 3.881 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(-c4ccccc4)cs3)C2)C1 ZINC000430149324 338099290 /nfs/dbraw/zinc/09/92/90/338099290.db2.gz MYBYDDBPVDVEKW-LJQANCHMSA-N 2 0 312.482 3.943 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000430585947 338109232 /nfs/dbraw/zinc/10/92/32/338109232.db2.gz UIRCIGYRCKXNOJ-KBPBESRZSA-N 2 0 312.910 3.881 20 0 DHADRP C[NH2+]CC1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000430923814 338118898 /nfs/dbraw/zinc/11/88/98/338118898.db2.gz GKCRUDXOTBSLNP-UHFFFAOYSA-N 2 0 312.910 3.754 20 0 DHADRP C[C@H]1CN(CCC[NH2+]C2CCC(C(C)(C)C)CC2)CCCO1 ZINC000432364487 338154221 /nfs/dbraw/zinc/15/42/21/338154221.db2.gz JQYTXAJDYWMBLY-AOCRQIFASA-N 2 0 310.526 3.682 20 0 DHADRP CCc1ccc([C@@H](CC)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432408267 338155201 /nfs/dbraw/zinc/15/52/01/338155201.db2.gz SQYCNGBQHPKUGJ-FXAWDEMLSA-N 2 0 318.505 3.791 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)cc1 ZINC000432411547 338155252 /nfs/dbraw/zinc/15/52/52/338155252.db2.gz ZBKNKVQTQOXTJH-JKSUJKDBSA-N 2 0 322.518 3.560 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc(C)c1F ZINC000432431560 338156396 /nfs/dbraw/zinc/15/63/96/338156396.db2.gz WSRVIVGNAYDGOD-SJORKVTESA-N 2 0 322.468 3.594 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CCC2)cc1C ZINC000433080500 338180726 /nfs/dbraw/zinc/18/07/26/338180726.db2.gz CQEQQEDJQMNEIK-PKOBYXMFSA-N 2 0 300.490 3.655 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000433097674 338181634 /nfs/dbraw/zinc/18/16/34/338181634.db2.gz ORBYZEXKNLLTCC-DOTOQJQBSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CC(C)(C)C2)C[C@H](C)O1 ZINC000433165113 338183767 /nfs/dbraw/zinc/18/37/67/338183767.db2.gz TVQILLCFLXYGRV-HOTGVXAUSA-N 2 0 316.489 3.574 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000152509612 338206065 /nfs/dbraw/zinc/20/60/65/338206065.db2.gz RPXIDRBUXZYEQP-HUUCEWRRSA-N 2 0 310.457 3.995 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000153000790 338215360 /nfs/dbraw/zinc/21/53/60/338215360.db2.gz NRVADDNBQIXBRW-HIFRSBDPSA-N 2 0 300.368 3.582 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436274962 338265119 /nfs/dbraw/zinc/26/51/19/338265119.db2.gz NXNZYOHNCKHSCO-XUVXKRRUSA-N 2 0 300.490 3.719 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000437765607 338320590 /nfs/dbraw/zinc/32/05/90/338320590.db2.gz RZCCDZMBUPLAOF-UXHICEINSA-N 2 0 300.490 3.961 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]CCCCOc2ccccc2)c1 ZINC000437769268 338320628 /nfs/dbraw/zinc/32/06/28/338320628.db2.gz DOIJFUILOAZJCA-UHFFFAOYSA-N 2 0 312.457 3.697 20 0 DHADRP CCSCC[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000437780984 338321170 /nfs/dbraw/zinc/32/11/70/338321170.db2.gz DXDHFVDENBANTO-FUHWJXTLSA-N 2 0 306.519 3.630 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C1CCC([NH3+])CC1 ZINC000437787591 338321461 /nfs/dbraw/zinc/32/14/61/338321461.db2.gz REQULKNMJWTGND-VOMCLLRMSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)c1ccc(F)cc1 ZINC000437800294 338322052 /nfs/dbraw/zinc/32/20/52/338322052.db2.gz XCSYLIMWJBXGBH-CVEARBPZSA-N 2 0 315.436 3.617 20 0 DHADRP C[C@H](C[NH2+]CCCCOc1ccccc1)C[NH+]1CCCCC1 ZINC000438078142 338330133 /nfs/dbraw/zinc/33/01/33/338330133.db2.gz KJLWQXZCEHRTGE-GOSISDBHSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000438106507 338332033 /nfs/dbraw/zinc/33/20/33/338332033.db2.gz GJDANWSKHGYJIB-MRXNPFEDSA-N 2 0 306.469 3.983 20 0 DHADRP C[N@H+](CCCCCOc1ccccc1)CC1CC[NH+](C)CC1 ZINC000438118893 338333200 /nfs/dbraw/zinc/33/32/00/338333200.db2.gz YWWOKYKIHAPOJO-UHFFFAOYSA-N 2 0 304.478 3.509 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000438182892 338335320 /nfs/dbraw/zinc/33/53/20/338335320.db2.gz VCQBYWMAKRLTBB-MSOLQXFVSA-N 2 0 304.478 3.698 20 0 DHADRP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000450419979 338399576 /nfs/dbraw/zinc/39/95/76/338399576.db2.gz BHEMFZXLCDNPPH-HZPDHXFCSA-N 2 0 300.437 3.762 20 0 DHADRP C[NH+](C)CCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442650205 338426794 /nfs/dbraw/zinc/42/67/94/338426794.db2.gz ORZVCPLBGDWCOH-ZBFHGGJFSA-N 2 0 314.395 3.883 20 0 DHADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCCC1 ZINC000446755227 338534935 /nfs/dbraw/zinc/53/49/35/338534935.db2.gz ZCFOJZWAFLWWBK-LNLFQRSKSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446885994 338539474 /nfs/dbraw/zinc/53/94/74/338539474.db2.gz ZMTRVXWPBMDHNV-CTNGQTDRSA-N 2 0 312.501 3.961 20 0 DHADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446889338 338539749 /nfs/dbraw/zinc/53/97/49/338539749.db2.gz VRARVXXQZLRECD-PMACEKPBSA-N 2 0 312.501 3.862 20 0 DHADRP CC(C)c1nc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cs1 ZINC000447566327 338557402 /nfs/dbraw/zinc/55/74/02/338557402.db2.gz SCUCVFBSZKFRCC-CYBMUJFWSA-N 2 0 307.507 3.792 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000449103017 338593654 /nfs/dbraw/zinc/59/36/54/338593654.db2.gz NOUMVBBGGWSCIJ-MRXNPFEDSA-N 2 0 312.501 3.860 20 0 DHADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449159785 338597980 /nfs/dbraw/zinc/59/79/80/338597980.db2.gz ISXQWMQWYACCKO-HKUYNNGSSA-N 2 0 320.521 3.580 20 0 DHADRP c1cc2cccc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)c2o1 ZINC000449248914 338606573 /nfs/dbraw/zinc/60/65/73/338606573.db2.gz IKXJZFNFKXVFBW-UHFFFAOYSA-N 2 0 321.424 3.834 20 0 DHADRP C[C@@H](CCCO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449409498 338621835 /nfs/dbraw/zinc/62/18/35/338621835.db2.gz ULTJHJKFWQLLGP-INIZCTEOSA-N 2 0 312.542 3.664 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000449481966 338629474 /nfs/dbraw/zinc/62/94/74/338629474.db2.gz WXUBMXCUOLLRQC-INIZCTEOSA-N 2 0 324.896 3.534 20 0 DHADRP CC(C)OC1CC([N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000459354513 339024009 /nfs/dbraw/zinc/02/40/09/339024009.db2.gz XWVUJCABDVQHFV-YYZRRKBYSA-N 2 0 308.510 3.529 20 0 DHADRP CC(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459424760 339028394 /nfs/dbraw/zinc/02/83/94/339028394.db2.gz JPKFXCFRVZJBKZ-WMZOPIPTSA-N 2 0 301.478 3.855 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000459448706 339029889 /nfs/dbraw/zinc/02/98/89/339029889.db2.gz LNVGQMVKZCXTBR-UHFFFAOYSA-N 2 0 300.490 3.817 20 0 DHADRP CSC1(C[NH2+]C2CC(C)(c3ccccc3)C2)CC[NH+](C)CC1 ZINC000459557096 339035518 /nfs/dbraw/zinc/03/55/18/339035518.db2.gz CGUPABJSVHRXTA-UHFFFAOYSA-N 2 0 318.530 3.524 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000459632592 339039420 /nfs/dbraw/zinc/03/94/20/339039420.db2.gz LSGZWTYBCXLGKJ-CALCHBBNSA-N 2 0 310.526 3.823 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000459728981 339044738 /nfs/dbraw/zinc/04/47/38/339044738.db2.gz CXZJWGZWJYQXDX-LLVKDONJSA-N 2 0 306.397 3.588 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000459741583 339045676 /nfs/dbraw/zinc/04/56/76/339045676.db2.gz APOAKXKLFUFKDK-HZPDHXFCSA-N 2 0 310.526 3.821 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459791022 339048702 /nfs/dbraw/zinc/04/87/02/339048702.db2.gz RODYSNWEWMJPCO-JKSUJKDBSA-N 2 0 306.519 3.661 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459793899 339048932 /nfs/dbraw/zinc/04/89/32/339048932.db2.gz UCVGPZGRIQSCGY-HOTGVXAUSA-N 2 0 300.446 3.685 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000463081074 339104990 /nfs/dbraw/zinc/10/49/90/339104990.db2.gz BFHNCTUHMGPJFA-JBACZVJFSA-N 2 0 312.501 3.986 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCC2CCOCC2)C1 ZINC000463281236 339113143 /nfs/dbraw/zinc/11/31/43/339113143.db2.gz PFXIQGSOXJWQIV-UYAOXDASSA-N 2 0 322.537 3.780 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCC3CCOCC3)C2)CC1 ZINC000463283552 339113232 /nfs/dbraw/zinc/11/32/32/339113232.db2.gz UMLOVGFHRGGVDZ-FQEVSTJZSA-N 2 0 322.537 3.637 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)C1 ZINC000466347976 339200333 /nfs/dbraw/zinc/20/03/33/339200333.db2.gz UTZAHIHOJBATPY-LNLFQRSKSA-N 2 0 320.521 3.578 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000467369900 339234750 /nfs/dbraw/zinc/23/47/50/339234750.db2.gz MVHODZOTSSREQC-SJLPKXTDSA-N 2 0 322.468 3.778 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2c(C)oc3ccccc32)CC1 ZINC000468043461 339252453 /nfs/dbraw/zinc/25/24/53/339252453.db2.gz VZGSONYNPCOSII-UHFFFAOYSA-N 2 0 300.446 3.748 20 0 DHADRP COC1CCN(C2(C[NH2+][C@H]3CCC[C@@H]3C(C)C)CCCC2)CC1 ZINC000468556744 339266396 /nfs/dbraw/zinc/26/63/96/339266396.db2.gz UIIDFARDSDNAAH-MOPGFXCFSA-N 2 0 322.537 3.824 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000468807602 339271422 /nfs/dbraw/zinc/27/14/22/339271422.db2.gz CKBQWTMXUAZSNH-UHFFFAOYSA-N 2 0 306.469 3.812 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000468996137 339277138 /nfs/dbraw/zinc/27/71/38/339277138.db2.gz ODXOPDQIZVFUAE-YOEHRIQHSA-N 2 0 308.897 3.938 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2Cl)[C@@H](C)C1 ZINC000469088520 339279809 /nfs/dbraw/zinc/27/98/09/339279809.db2.gz VEEGXVXCJPQPAN-WMLDXEAASA-N 2 0 308.897 3.938 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000469165609 339281837 /nfs/dbraw/zinc/28/18/37/339281837.db2.gz XEVSXBZITXSACV-STQMWFEESA-N 2 0 318.383 3.619 20 0 DHADRP CC[N@@H+]1CC[C@H](NCc2ccc(C)cc2OC(C)(C)C)[C@@H](C)C1 ZINC000469179403 339282171 /nfs/dbraw/zinc/28/21/71/339282171.db2.gz UDGDKACXZMBGPT-WMZOPIPTSA-N 2 0 318.505 3.992 20 0 DHADRP COC(C)(C)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469761373 339298054 /nfs/dbraw/zinc/29/80/54/339298054.db2.gz SYODOADNCSXXCI-IAGOWNOFSA-N 2 0 318.505 3.548 20 0 DHADRP CCc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000469776542 339299059 /nfs/dbraw/zinc/29/90/59/339299059.db2.gz RFHURGMEDPORTR-VQIMIIECSA-N 2 0 300.490 3.992 20 0 DHADRP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000469851844 339302579 /nfs/dbraw/zinc/30/25/79/339302579.db2.gz MOYMXJYNYNRIPE-HOCLYGCPSA-N 2 0 300.471 3.893 20 0 DHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000469851793 339302601 /nfs/dbraw/zinc/30/26/01/339302601.db2.gz LYSAYBNMZJMMNU-TZMCWYRMSA-N 2 0 304.434 3.723 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000469854101 339302686 /nfs/dbraw/zinc/30/26/86/339302686.db2.gz LUXYTMPBCHORDR-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000470009168 339308473 /nfs/dbraw/zinc/30/84/73/339308473.db2.gz MYMPTBCBLFOXBD-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000470363298 339318292 /nfs/dbraw/zinc/31/82/92/339318292.db2.gz IBDRVADBRBASBG-AWEZNQCLSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000472608147 339374944 /nfs/dbraw/zinc/37/49/44/339374944.db2.gz HOHPWZQMUKQPSX-GOSISDBHSA-N 2 0 300.490 3.816 20 0 DHADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000472608150 339374961 /nfs/dbraw/zinc/37/49/61/339374961.db2.gz HOHPWZQMUKQPSX-SFHVURJKSA-N 2 0 300.490 3.816 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000474039295 339398333 /nfs/dbraw/zinc/39/83/33/339398333.db2.gz SSVOAYPGZPRDKF-GJZGRUSLSA-N 2 0 302.453 3.910 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000474488396 339417431 /nfs/dbraw/zinc/41/74/31/339417431.db2.gz MKRVQXLPHHRQEI-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000474802730 339426955 /nfs/dbraw/zinc/42/69/55/339426955.db2.gz ZDKOILKPISYWJO-GSEOLPGOSA-N 2 0 322.537 3.559 20 0 DHADRP FC(F)(F)C1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000475575857 339456221 /nfs/dbraw/zinc/45/62/21/339456221.db2.gz QQBKFHGNROTVDN-UHFFFAOYSA-N 2 0 304.400 3.714 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC000480670584 339582490 /nfs/dbraw/zinc/58/24/90/339582490.db2.gz QUUQBHAILREPJY-NFAWXSAZSA-N 2 0 306.416 3.818 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCCC[NH+](C)C)cc1F ZINC000481953389 339617830 /nfs/dbraw/zinc/61/78/30/339617830.db2.gz MHONOOHGWQBKRQ-AEFFLSMTSA-N 2 0 322.468 3.792 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000482947377 339647890 /nfs/dbraw/zinc/64/78/90/339647890.db2.gz LLCPAPBVPRMIQV-IBGZPJMESA-N 2 0 316.489 3.928 20 0 DHADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000482970354 339648752 /nfs/dbraw/zinc/64/87/52/339648752.db2.gz JOOHCNPKQRJUDE-LJQANCHMSA-N 2 0 304.453 3.867 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000484299077 339684277 /nfs/dbraw/zinc/68/42/77/339684277.db2.gz ZPYDEIJVHAADRU-OXJNMPFZSA-N 2 0 314.473 3.847 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cc(F)cc(Cl)c2)ccc1F ZINC000485722217 339711164 /nfs/dbraw/zinc/71/11/64/339711164.db2.gz RPOFYSORBZNODW-UHFFFAOYSA-N 2 0 324.802 3.970 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000488404897 339779931 /nfs/dbraw/zinc/77/99/31/339779931.db2.gz IKVIUQFCKILURA-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498824805 340024068 /nfs/dbraw/zinc/02/40/68/340024068.db2.gz FYAYTNPGBOOHFD-HXUWFJFHSA-N 2 0 300.490 3.939 20 0 DHADRP C[NH+](C)[C@H](CNc1cc[nH+]c2cc(F)ccc12)Cc1ccccc1 ZINC000500469950 340059975 /nfs/dbraw/zinc/05/99/75/340059975.db2.gz GUISLWQMAILPHJ-KRWDZBQOSA-N 2 0 323.415 3.959 20 0 DHADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501770912 340088180 /nfs/dbraw/zinc/08/81/80/340088180.db2.gz QXONNGCSAKNPQM-PKOBYXMFSA-N 2 0 310.526 3.636 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000502688068 340110584 /nfs/dbraw/zinc/11/05/84/340110584.db2.gz VQMWOHIIZXQFKG-OTWHNJEPSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000502696749 340111160 /nfs/dbraw/zinc/11/11/60/340111160.db2.gz FREDLYKODNRUQW-FXAWDEMLSA-N 2 0 318.505 3.823 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CCc1ccccc1 ZINC000502761685 340113164 /nfs/dbraw/zinc/11/31/64/340113164.db2.gz AXOVJAIOWKJIMP-UXHICEINSA-N 2 0 300.490 3.958 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CCCc1ccccc1 ZINC000503073637 340120298 /nfs/dbraw/zinc/12/02/98/340120298.db2.gz NVPIIKGUTGASHW-VQTJNVASSA-N 2 0 300.490 3.958 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CCCc1ccccc1 ZINC000503073638 340120331 /nfs/dbraw/zinc/12/03/31/340120331.db2.gz NVPIIKGUTGASHW-WOJBJXKFSA-N 2 0 300.490 3.958 20 0 DHADRP CC[C@H]1C[C@H](C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000503556784 340130454 /nfs/dbraw/zinc/13/04/54/340130454.db2.gz FWRLJHALJTYCHN-MOPGFXCFSA-N 2 0 322.537 3.970 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000503922317 340136916 /nfs/dbraw/zinc/13/69/16/340136916.db2.gz WBCSVFRUSHXBOS-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000401069961 340161924 /nfs/dbraw/zinc/16/19/24/340161924.db2.gz MTPPRCHQXFOBQV-ZGMNHVEMSA-N 2 0 312.379 3.744 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000506942935 340204111 /nfs/dbraw/zinc/20/41/11/340204111.db2.gz DIYMNVALXALUDR-UHFFFAOYSA-N 2 0 300.446 3.987 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507397658 340218509 /nfs/dbraw/zinc/21/85/09/340218509.db2.gz GLTIVRACGBMRPL-GOSISDBHSA-N 2 0 306.469 3.714 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000507439958 340219639 /nfs/dbraw/zinc/21/96/39/340219639.db2.gz DPLXVYBTQWTHEH-QZTJIDSGSA-N 2 0 304.453 3.783 20 0 DHADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCO1 ZINC000507803656 340232065 /nfs/dbraw/zinc/23/20/65/340232065.db2.gz LASZGYARDSEHOL-VAMGGRTRSA-N 2 0 322.537 3.636 20 0 DHADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCO1 ZINC000507803657 340232209 /nfs/dbraw/zinc/23/22/09/340232209.db2.gz LASZGYARDSEHOL-XUVXKRRUSA-N 2 0 322.537 3.636 20 0 DHADRP COCc1ccccc1/C=C(\C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000508213164 340240718 /nfs/dbraw/zinc/24/07/18/340240718.db2.gz BMNIEBOTDGCTOA-GHRIWEEISA-N 2 0 316.489 3.510 20 0 DHADRP Cc1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000508763949 340252764 /nfs/dbraw/zinc/25/27/64/340252764.db2.gz JYCMENRTWMMVGF-INIZCTEOSA-N 2 0 306.881 3.956 20 0 DHADRP CCCC[N@H+](C)CC1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000509030873 340258699 /nfs/dbraw/zinc/25/86/99/340258699.db2.gz IIOQQCAWUUDTCL-UHFFFAOYSA-N 2 0 309.885 3.992 20 0 DHADRP CCOc1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000302871290 340284854 /nfs/dbraw/zinc/28/48/54/340284854.db2.gz ADIAGSBVCWBQEU-UHFFFAOYSA-N 2 0 312.457 3.697 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000510122344 340289575 /nfs/dbraw/zinc/28/95/75/340289575.db2.gz VQIUBGWCRBXHEI-XCMFGDQWSA-N 2 0 316.489 3.558 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000511012177 340318177 /nfs/dbraw/zinc/31/81/77/340318177.db2.gz MJYOJIOOJZNYAN-AWEZNQCLSA-N 2 0 322.443 3.750 20 0 DHADRP C[N@H+](Cc1ccccc1C[NH2+]CC1(C)COC1)C1CCCCC1 ZINC000512130804 340349445 /nfs/dbraw/zinc/34/94/45/340349445.db2.gz PDVVSKCJJUGLQM-UHFFFAOYSA-N 2 0 316.489 3.577 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513336177 340403074 /nfs/dbraw/zinc/40/30/74/340403074.db2.gz VWHDCZOMQYKGOJ-PYXOFJJQSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cnn1C(C)C ZINC000191130061 340550456 /nfs/dbraw/zinc/55/04/56/340550456.db2.gz WKEDKYXVZYTCKP-OAHLLOKOSA-N 2 0 314.477 3.685 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529534258 340760167 /nfs/dbraw/zinc/76/01/67/340760167.db2.gz UKSWMGHJUUESSP-HNNXBMFYSA-N 2 0 322.443 3.922 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530244696 340783528 /nfs/dbraw/zinc/78/35/28/340783528.db2.gz MRJUMWZWVOFBFK-XMTFNYHQSA-N 2 0 304.865 3.838 20 0 DHADRP Fc1cccc([C@H]2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000530287243 340786393 /nfs/dbraw/zinc/78/63/93/340786393.db2.gz LAEYYTUCLJKKBZ-PXNSSMCTSA-N 2 0 316.464 3.926 20 0 DHADRP CC(C)=CCC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124660523 340800254 /nfs/dbraw/zinc/80/02/54/340800254.db2.gz GVUWJERDNIIYAJ-LJQANCHMSA-N 2 0 321.553 3.661 20 0 DHADRP CCc1ccc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)s1 ZINC000539862307 340907515 /nfs/dbraw/zinc/90/75/15/340907515.db2.gz LRUBWFBKOVQFRI-UHFFFAOYSA-N 2 0 324.534 3.633 20 0 DHADRP C[C@@H]([C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000540158374 340918691 /nfs/dbraw/zinc/91/86/91/340918691.db2.gz WVQVWCHEEQMOKF-XAMWDVODSA-N 2 0 322.537 3.559 20 0 DHADRP CC[C@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000540190651 340922449 /nfs/dbraw/zinc/92/24/49/340922449.db2.gz JXTMALWDSUDSHD-RBUKOAKNSA-N 2 0 317.521 3.613 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069377591 340956966 /nfs/dbraw/zinc/95/69/66/340956966.db2.gz XVWAOORPVISIPO-LSDHHAIUSA-N 2 0 306.416 3.819 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccccc2Cl)[C@H](C)C1 ZINC000542209969 341000264 /nfs/dbraw/zinc/00/02/64/341000264.db2.gz QQLOFZABZZIKRC-QAPCUYQASA-N 2 0 308.897 3.935 20 0 DHADRP Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc2cccnc12 ZINC000542318538 341004729 /nfs/dbraw/zinc/00/47/29/341004729.db2.gz AUEOPDXTROIUFP-UHFFFAOYSA-N 2 0 311.473 3.942 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCn2c3ccccc3c3ccccc32)CC[N@@H+]1C ZINC000543427628 341044017 /nfs/dbraw/zinc/04/40/17/341044017.db2.gz QNOCULXRPLIWFZ-DLBZAZTESA-N 2 0 321.468 3.867 20 0 DHADRP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000543445896 341045027 /nfs/dbraw/zinc/04/50/27/341045027.db2.gz JQEMZOJFXSZNET-SFHVURJKSA-N 2 0 302.506 3.917 20 0 DHADRP C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511041 341048134 /nfs/dbraw/zinc/04/81/34/341048134.db2.gz CBUXVMQEIMRLSD-ZIAGYGMSSA-N 2 0 309.523 3.966 20 0 DHADRP CCCCc1nc(CN2CC[C@H](Oc3ccncc3)C2)cs1 ZINC000131937979 341113845 /nfs/dbraw/zinc/11/38/45/341113845.db2.gz JJNVOWDVFLJGLW-INIZCTEOSA-N 2 0 317.458 3.534 20 0 DHADRP C[C@@H]([C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000132966888 341150768 /nfs/dbraw/zinc/15/07/68/341150768.db2.gz JIKXECZBUUKPLB-BZSNNMDCSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000546166895 341155593 /nfs/dbraw/zinc/15/55/93/341155593.db2.gz SVJWCFOLJGNZIG-KBXCAEBGSA-N 2 0 324.896 3.880 20 0 DHADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1N(C)C ZINC000546227335 341157936 /nfs/dbraw/zinc/15/79/36/341157936.db2.gz VGFIDPUSVAVULC-MRXNPFEDSA-N 2 0 303.494 3.525 20 0 DHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000564314783 341201541 /nfs/dbraw/zinc/20/15/41/341201541.db2.gz GAWQITJUFMLZGG-UXHICEINSA-N 2 0 322.537 3.704 20 0 DHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000564314786 341201826 /nfs/dbraw/zinc/20/18/26/341201826.db2.gz GAWQITJUFMLZGG-WOJBJXKFSA-N 2 0 322.537 3.704 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccoc1 ZINC000134044476 341205286 /nfs/dbraw/zinc/20/52/86/341205286.db2.gz IDGRVWJRVNNJCG-MRXNPFEDSA-N 2 0 314.429 3.605 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000564324445 341221973 /nfs/dbraw/zinc/22/19/73/341221973.db2.gz GODUKSAASBEUMQ-AEFFLSMTSA-N 2 0 304.503 3.715 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2ncsc2c1 ZINC000548587411 341266436 /nfs/dbraw/zinc/26/64/36/341266436.db2.gz PEFNFSNJRITUOX-ZDUSSCGKSA-N 2 0 315.486 3.821 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1C ZINC000548791238 341275736 /nfs/dbraw/zinc/27/57/36/341275736.db2.gz AQFJKHVWYSRUHU-MRXNPFEDSA-N 2 0 307.441 3.556 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC34CCOCC4)CC2)CC1 ZINC000548858159 341278333 /nfs/dbraw/zinc/27/83/33/341278333.db2.gz RJUTXVWSHPSNPZ-CTWPCTMYSA-N 2 0 320.521 3.578 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000245422269 341292715 /nfs/dbraw/zinc/29/27/15/341292715.db2.gz IQMLRMNBXNEERQ-QFBILLFUSA-N 2 0 304.478 3.636 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc3ccccc23)[C@@H](C)C1 ZINC000245422520 341292769 /nfs/dbraw/zinc/29/27/69/341292769.db2.gz IWUQOYPFHQWHIA-YWZLYKJASA-N 2 0 311.473 3.705 20 0 DHADRP c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245716169 341311379 /nfs/dbraw/zinc/31/13/79/341311379.db2.gz OCIKULPORBOHAA-MZADTFQBSA-N 2 0 306.453 3.972 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245946342 341319268 /nfs/dbraw/zinc/31/92/68/341319268.db2.gz BLPUYHIDPFNRSB-LPHOPBHVSA-N 2 0 304.478 3.714 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000550818341 341323529 /nfs/dbraw/zinc/32/35/29/341323529.db2.gz LEMVHNMMLVXZAC-SXLOBPIMSA-N 2 0 317.521 3.532 20 0 DHADRP CCOC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000550881847 341325403 /nfs/dbraw/zinc/32/54/03/341325403.db2.gz DTOBGSPJJWXFPU-HKUYNNGSSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC23CCCC3)C[C@@H](C)O1 ZINC000551014704 341329322 /nfs/dbraw/zinc/32/93/22/341329322.db2.gz XGGSYJBJHDAWGM-KZNAEPCWSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+]1CCC([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000551240024 341334866 /nfs/dbraw/zinc/33/48/66/341334866.db2.gz CJRZRNDUBXBWOZ-MRXNPFEDSA-N 2 0 314.395 3.797 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)C1 ZINC000246528979 341353222 /nfs/dbraw/zinc/35/32/22/341353222.db2.gz VFRDCYFHEPZCGH-NJAFHUGGSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000247133630 341361209 /nfs/dbraw/zinc/36/12/09/341361209.db2.gz QLUCWJXGDAVNIN-RRFJBIMHSA-N 2 0 310.869 3.570 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126805 341361257 /nfs/dbraw/zinc/36/12/57/341361257.db2.gz AQFJWBQOVNXQMW-MAUKXSAKSA-N 2 0 322.880 3.525 20 0 DHADRP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000552040470 341364070 /nfs/dbraw/zinc/36/40/70/341364070.db2.gz PAGDKMBYFYJBFH-AQNXPRMDSA-N 2 0 316.489 3.576 20 0 DHADRP COCc1ccccc1/C=C(/C)C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000552043892 341364376 /nfs/dbraw/zinc/36/43/76/341364376.db2.gz FMSJMAIHIDVTPJ-YTWOYLGCSA-N 2 0 316.489 3.508 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000248006708 341372143 /nfs/dbraw/zinc/37/21/43/341372143.db2.gz KVNJUKOVUPEOPN-WMLDXEAASA-N 2 0 324.921 3.848 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@@H](C)C1 ZINC000248129052 341373678 /nfs/dbraw/zinc/37/36/78/341373678.db2.gz OFLVHONKLNMVTO-RDJZCZTQSA-N 2 0 304.503 3.631 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000564388627 341375895 /nfs/dbraw/zinc/37/58/95/341375895.db2.gz BJBHQJJXOAKZJM-ADEKHHIBSA-N 2 0 322.537 3.968 20 0 DHADRP C([C@H]1CCC2(CCCCC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248849212 341388503 /nfs/dbraw/zinc/38/85/03/341388503.db2.gz PRDIZCIZJZZFPM-RBUKOAKNSA-N 2 0 320.521 3.676 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2C)[C@@H](C)C1 ZINC000248913354 341390081 /nfs/dbraw/zinc/39/00/81/341390081.db2.gz JKUGMLFGTFPACK-XJKSGUPXSA-N 2 0 314.395 3.834 20 0 DHADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000249030183 341392328 /nfs/dbraw/zinc/39/23/28/341392328.db2.gz SIZAMPUNZBOACM-KBPBESRZSA-N 2 0 324.871 3.973 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000249157954 341394726 /nfs/dbraw/zinc/39/47/26/341394726.db2.gz ZERVPNFFEWTPKZ-MSOLQXFVSA-N 2 0 302.462 3.500 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)c1 ZINC000554350396 341450783 /nfs/dbraw/zinc/45/07/83/341450783.db2.gz HHOWTDDTGHHGQP-ZWKOTPCHSA-N 2 0 304.503 3.738 20 0 DHADRP COc1ccc(F)c(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000555564885 341485566 /nfs/dbraw/zinc/48/55/66/341485566.db2.gz WNSWWWJMAFVNPC-UHFFFAOYSA-N 2 0 322.468 3.682 20 0 DHADRP c1ccc(C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C2CC2)cc1 ZINC000556232914 341498355 /nfs/dbraw/zinc/49/83/55/341498355.db2.gz LOVBYWAZKHIKEM-HXUWFJFHSA-N 2 0 300.490 3.863 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(-c2ccncc2)c1 ZINC000564828056 341510798 /nfs/dbraw/zinc/51/07/98/341510798.db2.gz REUZOMCCEIFNJS-YRNRMSPPSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(-c2ccncc2)c1 ZINC000564828053 341510799 /nfs/dbraw/zinc/51/07/99/341510799.db2.gz REUZOMCCEIFNJS-FTRWYGJKSA-N 2 0 309.457 3.917 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CCCO2 ZINC000564988295 341514331 /nfs/dbraw/zinc/51/43/31/341514331.db2.gz ASJGTWAQOWWCDK-LJQANCHMSA-N 2 0 310.441 3.766 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000567385880 341600526 /nfs/dbraw/zinc/60/05/26/341600526.db2.gz VGLNZSPVJIFKKN-CYBMUJFWSA-N 2 0 307.507 3.750 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1F ZINC000573338132 341725388 /nfs/dbraw/zinc/72/53/88/341725388.db2.gz DYJSNSMAFRHTKD-USWWRNFRSA-N 2 0 315.230 3.509 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000573997798 341745511 /nfs/dbraw/zinc/74/55/11/341745511.db2.gz LTKQMAGREABUHE-VQTJNVASSA-N 2 0 300.490 3.719 20 0 DHADRP CCCC[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000574061169 341747274 /nfs/dbraw/zinc/74/72/74/341747274.db2.gz QHFHZVUGRKAHOW-MRXNPFEDSA-N 2 0 304.478 3.828 20 0 DHADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000576269208 341837153 /nfs/dbraw/zinc/83/71/53/341837153.db2.gz IARKCBZGRNBNTD-FUMNGEBKSA-N 2 0 313.489 3.547 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000580638996 341890394 /nfs/dbraw/zinc/89/03/94/341890394.db2.gz FDGDMHOENWJDET-MAUKXSAKSA-N 2 0 323.912 3.584 20 0 DHADRP CC[NH2+]CC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000577280125 341902094 /nfs/dbraw/zinc/90/20/94/341902094.db2.gz CZERDUDCUHNQSR-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000532214130 518184454 /nfs/dbraw/zinc/18/44/54/518184454.db2.gz VIVHQKMMIUKEKC-IFXJQAMLSA-N 2 0 304.453 3.771 20 0 DHADRP CC(C)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000126448672 519394375 /nfs/dbraw/zinc/39/43/75/519394375.db2.gz ZVCXFFAXTGPXEG-PHSGOXPASA-N 2 0 301.478 3.774 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC000236669083 519629671 /nfs/dbraw/zinc/62/96/71/519629671.db2.gz LOPVUNUJWQPUHZ-UHFFFAOYSA-N 2 0 322.456 3.693 20 0 DHADRP CC(C)CCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000339410342 519637744 /nfs/dbraw/zinc/63/77/44/519637744.db2.gz RBYKKAMELDJGHZ-HNNXBMFYSA-N 2 0 307.507 3.523 20 0 DHADRP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000364865109 520861597 /nfs/dbraw/zinc/86/15/97/520861597.db2.gz RLPPNNKJABQACT-FXAWDEMLSA-N 2 0 320.521 3.554 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)ccc1F ZINC000338000605 521888239 /nfs/dbraw/zinc/88/82/39/521888239.db2.gz YQRXPHYVENNYHX-CRAIPNDOSA-N 2 0 310.432 3.895 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000156197318 522748431 /nfs/dbraw/zinc/74/84/31/522748431.db2.gz CGWOJGKHPVRMBS-JXFKEZNVSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[NH+]1CCCCC1 ZINC000337270811 524199761 /nfs/dbraw/zinc/19/97/61/524199761.db2.gz ZZAYZURQXVBZRN-GGPKGHCWSA-N 2 0 315.505 3.962 20 0 DHADRP COc1ccc(F)c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000339185175 524271766 /nfs/dbraw/zinc/27/17/66/524271766.db2.gz VVCVRGSOLCRRRW-HNNXBMFYSA-N 2 0 308.441 3.579 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000155912170 524915784 /nfs/dbraw/zinc/91/57/84/524915784.db2.gz VIQQNASSNNEOMA-GPMSIDNRSA-N 2 0 318.505 3.820 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000162584415 525457890 /nfs/dbraw/zinc/45/78/90/525457890.db2.gz OCSLLJUUORLXMZ-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000162584909 525536424 /nfs/dbraw/zinc/53/64/24/525536424.db2.gz KXJFHTANCCIINL-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000148028349 525554681 /nfs/dbraw/zinc/55/46/81/525554681.db2.gz XGZLPZAYPDKVJA-CORIIIEPSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1ccncc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000339416000 525743421 /nfs/dbraw/zinc/74/34/21/525743421.db2.gz YGTJJPQOXWGQMZ-FPOVZHCZSA-N 2 0 323.484 3.562 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2n1 ZINC000189263639 526231160 /nfs/dbraw/zinc/23/11/60/526231160.db2.gz TZFMROONQGGSEA-UHFFFAOYSA-N 2 0 309.457 3.507 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000157940800 527112259 /nfs/dbraw/zinc/11/22/59/527112259.db2.gz WHYDMYOCBLMRMK-GOEBONIOSA-N 2 0 321.534 3.931 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000272826704 535161504 /nfs/dbraw/zinc/16/15/04/535161504.db2.gz DPUIFJYVWGBUOW-UHFFFAOYSA-N 2 0 304.453 3.611 20 0 DHADRP CC[C@H](CSC)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272756469 536127177 /nfs/dbraw/zinc/12/71/77/536127177.db2.gz KSOCPCYOPZCBRJ-KBAYOESNSA-N 2 0 306.519 3.628 20 0 DHADRP C[N@H+]1C[C@H]2CN(Cc3ccc(-c4cccc(F)c4)s3)C[C@H]2C1 ZINC000425983630 1013048807 /nfs/dbraw/zinc/04/88/07/1013048807.db2.gz CWADHRXPFOHPGC-GASCZTMLSA-N 2 0 316.445 3.548 20 0 DHADRP CCCOC1CCC([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC001173091147 1033522034 /nfs/dbraw/zinc/52/20/34/1033522034.db2.gz ORSNOHFUESXZFR-UHFFFAOYSA-N 2 0 304.478 3.576 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc(C)s2)cc1 ZINC000037505477 1013180378 /nfs/dbraw/zinc/18/03/78/1013180378.db2.gz GTKNVQBIVQUYFF-UHFFFAOYSA-N 2 0 303.475 3.583 20 0 DHADRP CCN(CCC[NH+](C)C)Cc1c(OC)ccc2ccccc21 ZINC000578558116 1013251025 /nfs/dbraw/zinc/25/10/25/1013251025.db2.gz AJLHJGKGJRHEOY-UHFFFAOYSA-N 2 0 300.446 3.622 20 0 DHADRP Cc1c(F)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965435 1013267615 /nfs/dbraw/zinc/26/76/15/1013267615.db2.gz FTBPLVBIYXKGAX-AYHJJNSGSA-N 2 0 302.437 3.629 20 0 DHADRP CC(C)(C)SCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000089516520 1013277124 /nfs/dbraw/zinc/27/71/24/1013277124.db2.gz GSQYUNBSODGSHB-UHFFFAOYSA-N 2 0 320.546 3.815 20 0 DHADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CCCC1 ZINC001167256304 1013452759 /nfs/dbraw/zinc/45/27/59/1013452759.db2.gz VWDCBDNDQDVNHE-AZUAARDMSA-N 2 0 322.537 3.636 20 0 DHADRP FC1(F)CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167977867 1013456138 /nfs/dbraw/zinc/45/61/38/1013456138.db2.gz HESWCFFFYZSHRO-MGNMYUMUSA-N 2 0 312.448 3.807 20 0 DHADRP c1ccc([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167983930 1013496027 /nfs/dbraw/zinc/49/60/27/1013496027.db2.gz LLIBRLDGQMUVBA-MQEZQYLSSA-N 2 0 310.485 3.881 20 0 DHADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000040226507 1013540178 /nfs/dbraw/zinc/54/01/78/1013540178.db2.gz BUMGUJUIEYKLDH-MRXNPFEDSA-N 2 0 323.278 3.512 20 0 DHADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000040226505 1013540491 /nfs/dbraw/zinc/54/04/91/1013540491.db2.gz BUMGUJUIEYKLDH-INIZCTEOSA-N 2 0 323.278 3.512 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519769022 1013601250 /nfs/dbraw/zinc/60/12/50/1013601250.db2.gz HUAHGJPTKHIPGW-SCTDSRPQSA-N 2 0 320.521 3.721 20 0 DHADRP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925095472 1013643988 /nfs/dbraw/zinc/64/39/88/1013643988.db2.gz UHLKSHYWPFIISV-FUHIMQAGSA-N 2 0 320.521 3.602 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000655700600 1013651747 /nfs/dbraw/zinc/65/17/47/1013651747.db2.gz JHVORDYQLMREJA-MAUKXSAKSA-N 2 0 306.519 3.901 20 0 DHADRP C1C[C@H](N2CCC([NH2+]C3CCC4(CCCCC4)CC3)CC2)CO1 ZINC000655758690 1013693847 /nfs/dbraw/zinc/69/38/47/1013693847.db2.gz XCRGQOMJFFQQPD-IBGZPJMESA-N 2 0 320.521 3.722 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000655804011 1013728054 /nfs/dbraw/zinc/72/80/54/1013728054.db2.gz LUWFJSSZFURHGH-UWIFEVILSA-N 2 0 306.881 3.906 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)c2ccccc21 ZINC000655804357 1013728085 /nfs/dbraw/zinc/72/80/85/1013728085.db2.gz WHMYOBKVUIOLEF-SOUVJXGZSA-N 2 0 300.421 3.970 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000655805686 1013728178 /nfs/dbraw/zinc/72/81/78/1013728178.db2.gz KERHWQGRZZOZTO-ZQDZILKHSA-N 2 0 317.502 3.718 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCS2 ZINC000655805948 1013728578 /nfs/dbraw/zinc/72/85/78/1013728578.db2.gz VANPEUUSADCZGB-VBQJREDUSA-N 2 0 320.502 3.552 20 0 DHADRP Cc1ccccc1OCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441348408 1013723572 /nfs/dbraw/zinc/72/35/72/1013723572.db2.gz CDHBKBZNEYAUPX-SFHVURJKSA-N 2 0 304.478 3.570 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1OC(F)(F)F ZINC000655805774 1013724687 /nfs/dbraw/zinc/72/46/87/1013724687.db2.gz KXTLDMMQZDHNSA-UPJWGTAASA-N 2 0 316.367 3.576 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000655803620 1013726272 /nfs/dbraw/zinc/72/62/72/1013726272.db2.gz ADGPYOQLIVNGFV-PEBLQZBPSA-N 2 0 312.910 3.823 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000655805891 1013727671 /nfs/dbraw/zinc/72/76/71/1013727671.db2.gz UJLLLVCISUEOPY-HLAWJBBLSA-N 2 0 308.469 3.900 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(CO)c1 ZINC000305645072 1013751782 /nfs/dbraw/zinc/75/17/82/1013751782.db2.gz LPXIYBPEQLWKDH-FGTMMUONSA-N 2 0 318.505 3.588 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188444889 1013760183 /nfs/dbraw/zinc/76/01/83/1013760183.db2.gz UMDJKPSXVHARST-JFIYKMOQSA-N 2 0 318.480 3.999 20 0 DHADRP COc1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167993907 1013774307 /nfs/dbraw/zinc/77/43/07/1013774307.db2.gz SRCXGJXXXWIUKV-DFNIBXOVSA-N 2 0 314.473 3.532 20 0 DHADRP CN(Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995368 1013782882 /nfs/dbraw/zinc/78/28/82/1013782882.db2.gz CPSSDRSLNMWWCY-JWTNVVGKSA-N 2 0 302.437 3.663 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000070170992 1013798511 /nfs/dbraw/zinc/79/85/11/1013798511.db2.gz RZZAEZQPOXHSQA-LLVKDONJSA-N 2 0 318.795 3.502 20 0 DHADRP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000315752285 1013809432 /nfs/dbraw/zinc/80/94/32/1013809432.db2.gz PSMBMVWCBNAFIE-RHSMWYFYSA-N 2 0 304.478 3.921 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000340468053 1013833487 /nfs/dbraw/zinc/83/34/87/1013833487.db2.gz ISKNLLFVUYYPQR-VQIMIIECSA-N 2 0 316.489 3.871 20 0 DHADRP Cc1ccc(F)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1F ZINC001167321958 1013852793 /nfs/dbraw/zinc/85/27/93/1013852793.db2.gz MIRKGNOKFSUPCM-UHFFFAOYSA-N 2 0 310.432 3.825 20 0 DHADRP C[C@@H]1C[C@H](C)CN(CC[NH2+]C(C)(C)CCc2ccccc2)C1 ZINC001167326344 1013884498 /nfs/dbraw/zinc/88/44/98/1013884498.db2.gz KWGOBJWWTGPSMZ-HDICACEKSA-N 2 0 302.506 3.965 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(Br)s1 ZINC000044532500 1013995677 /nfs/dbraw/zinc/99/56/77/1013995677.db2.gz FOQXMORFIRCQMX-WDEREUQCSA-N 2 0 317.296 3.503 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(Br)s1 ZINC000044532502 1013996410 /nfs/dbraw/zinc/99/64/10/1013996410.db2.gz FOQXMORFIRCQMX-GHMZBOCLSA-N 2 0 317.296 3.503 20 0 DHADRP CCCOc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000565508316 1014020283 /nfs/dbraw/zinc/02/02/83/1014020283.db2.gz PWCUZLLVHDMARM-LJQANCHMSA-N 2 0 316.489 3.639 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000683822394 1014043576 /nfs/dbraw/zinc/04/35/76/1014043576.db2.gz PYCBJBHNGJNPLF-NXEZZACHSA-N 2 0 321.412 3.543 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000564583879 1014048002 /nfs/dbraw/zinc/04/80/02/1014048002.db2.gz CMTMGFXLOPBRGA-LERXQTSPSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000564583856 1014048170 /nfs/dbraw/zinc/04/81/70/1014048170.db2.gz CMTMGFXLOPBRGA-DDTOSNHZSA-N 2 0 301.261 3.784 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000153782027 1014115584 /nfs/dbraw/zinc/11/55/84/1014115584.db2.gz YOHQRYCQNQBBTN-AZUAARDMSA-N 2 0 316.489 3.618 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC001168298198 1032084934 /nfs/dbraw/zinc/08/49/34/1032084934.db2.gz DTXANZCPDNIJQS-GUMHCPJTSA-N 2 0 316.489 3.587 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189319770 1014181363 /nfs/dbraw/zinc/18/13/63/1014181363.db2.gz ZLPYFBIFCOMUOF-UHFFFAOYSA-N 2 0 311.473 3.755 20 0 DHADRP CCC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ncccc1Cl ZINC000926113482 1014226722 /nfs/dbraw/zinc/22/67/22/1014226722.db2.gz GGVFYMKABDTZPE-OAHLLOKOSA-N 2 0 309.885 3.898 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(-c3nccs3)cc2)CC1 ZINC001168298789 1032088911 /nfs/dbraw/zinc/08/89/11/1032088911.db2.gz CGPUTNAJYZTONG-UHFFFAOYSA-N 2 0 315.486 3.773 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580694979 1014293839 /nfs/dbraw/zinc/29/38/39/1014293839.db2.gz CACYRGFMLPTEDR-HFTRVMKXSA-N 2 0 306.881 3.908 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000261654233 1014327267 /nfs/dbraw/zinc/32/72/67/1014327267.db2.gz BGMXIKOVPPYDTP-GFCCVEGCSA-N 2 0 300.368 3.573 20 0 DHADRP CC(C)CCOCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441614014 1014364781 /nfs/dbraw/zinc/36/47/81/1014364781.db2.gz OYXCPLAXCVBQKA-HXUWFJFHSA-N 2 0 318.505 3.503 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000580813424 1014366514 /nfs/dbraw/zinc/36/65/14/1014366514.db2.gz OUMDCMVHDXDWSN-GOSISDBHSA-N 2 0 304.865 3.791 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000520648504 1014399656 /nfs/dbraw/zinc/39/96/56/1014399656.db2.gz BVZHCVOLLMHGGP-ROUUACIJSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006355 1014417078 /nfs/dbraw/zinc/41/70/78/1014417078.db2.gz NNCQSVYORHSMOB-RMFSNUHRSA-N 2 0 323.484 3.655 20 0 DHADRP Cc1ncccc1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007298 1014431126 /nfs/dbraw/zinc/43/11/26/1014431126.db2.gz AEVDIQWVEIIIGF-UPHUGPLXSA-N 2 0 323.484 3.921 20 0 DHADRP Cc1c(Cl)c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)nc2ccccc12 ZINC000262029676 1014546060 /nfs/dbraw/zinc/54/60/60/1014546060.db2.gz YOGQTHSSADEWLA-UONOGXRCSA-N 2 0 317.864 3.756 20 0 DHADRP C[C@H](NCC1([NH3+])CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000665249633 1014553828 /nfs/dbraw/zinc/55/38/28/1014553828.db2.gz VGRKYQREJSAVFU-JTQLQIEISA-N 2 0 318.795 3.864 20 0 DHADRP C[C@@H]1CC([NH2+]CCn2cccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012352 1014607912 /nfs/dbraw/zinc/60/79/12/1014607912.db2.gz YVWUUTUSZKXMCX-QZTJIDSGSA-N 2 0 311.473 3.519 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000665279319 1014662762 /nfs/dbraw/zinc/66/27/62/1014662762.db2.gz AEOKQMMINCXRDA-FXMPHUBISA-N 2 0 324.390 3.683 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccccc1OC(F)F ZINC000665281111 1014667616 /nfs/dbraw/zinc/66/76/16/1014667616.db2.gz VBHZWBFZWICKPW-KGLIPLIRSA-N 2 0 300.393 3.702 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926138261 1014734248 /nfs/dbraw/zinc/73/42/48/1014734248.db2.gz LZAMGQZMTVFGHV-IXDOHACOSA-N 2 0 304.478 3.604 20 0 DHADRP C[C@H]1C[C@H](NCc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000090720733 1014764008 /nfs/dbraw/zinc/76/40/08/1014764008.db2.gz KXIPUESSAHIOJX-GXFFZTMASA-N 2 0 318.795 3.514 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000665300494 1014781938 /nfs/dbraw/zinc/78/19/38/1014781938.db2.gz CWCDVUYLBDIEOU-GXTWGEPZSA-N 2 0 302.384 3.513 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000443002263 1014785756 /nfs/dbraw/zinc/78/57/56/1014785756.db2.gz OWLFCWXLWVIAKL-CQSZACIVSA-N 2 0 314.395 3.835 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000442989685 1014787461 /nfs/dbraw/zinc/78/74/61/1014787461.db2.gz ITOZYPQFYPTCLN-CVEARBPZSA-N 2 0 314.395 3.976 20 0 DHADRP Cc1cnccc1C[NH2+]C[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000581469173 1014878533 /nfs/dbraw/zinc/87/85/33/1014878533.db2.gz GJPNWFPWZUKOMF-NRFANRHFSA-N 2 0 323.484 3.563 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090035275 1014900876 /nfs/dbraw/zinc/90/08/76/1014900876.db2.gz NBMBEJIACRALHK-GLJUWKHASA-N 2 0 324.896 3.736 20 0 DHADRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC001279225507 1014909461 /nfs/dbraw/zinc/90/94/61/1014909461.db2.gz LZKLEGNRSCFYBF-UHFFFAOYSA-N 2 0 310.844 3.787 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000474063197 1014939713 /nfs/dbraw/zinc/93/97/13/1014939713.db2.gz GOYOGLMWDSHFRX-KHYOSLBOSA-N 2 0 314.473 3.634 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000341170648 1014955619 /nfs/dbraw/zinc/95/56/19/1014955619.db2.gz CYWXRFIPYWDMFM-AWEZNQCLSA-N 2 0 301.409 3.750 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2C)[C@H](C)C1 ZINC000631073970 1014990392 /nfs/dbraw/zinc/99/03/92/1014990392.db2.gz RUSZJBCURCGOPV-RDTXWAMCSA-N 2 0 324.534 3.592 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000443617915 1015037439 /nfs/dbraw/zinc/03/74/39/1015037439.db2.gz YKTMTTZZIMEJRI-KBXCAEBGSA-N 2 0 306.881 3.991 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000443617919 1015038620 /nfs/dbraw/zinc/03/86/20/1015038620.db2.gz YKTMTTZZIMEJRI-KSSFIOAISA-N 2 0 306.881 3.991 20 0 DHADRP c1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093490657 1015047445 /nfs/dbraw/zinc/04/74/45/1015047445.db2.gz RKUUDFRMUZXFSM-OKZBNKHCSA-N 2 0 304.503 3.679 20 0 DHADRP C[C@@H]([NH2+]CC1(Cc2ccccc2)CCC1)C1CC[NH+](C)CC1 ZINC000090392678 1015051316 /nfs/dbraw/zinc/05/13/16/1015051316.db2.gz VOJVIWCGGHULOX-QGZVFWFLSA-N 2 0 300.490 3.719 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000656684323 1015070050 /nfs/dbraw/zinc/07/00/50/1015070050.db2.gz VIASBVSFRIKPCK-SFHVURJKSA-N 2 0 323.484 3.953 20 0 DHADRP CCCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000443677656 1015105691 /nfs/dbraw/zinc/10/56/91/1015105691.db2.gz YNGWZDPXMANNIG-SJORKVTESA-N 2 0 309.457 3.648 20 0 DHADRP CCC[C@@H](C)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000341269283 1015115742 /nfs/dbraw/zinc/11/57/42/1015115742.db2.gz NLUXWNCMNXGEQV-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(C3CCCC3)c2)CC1 ZINC000656785442 1015158580 /nfs/dbraw/zinc/15/85/80/1015158580.db2.gz HKZAAIYXTVXASO-UHFFFAOYSA-N 2 0 316.489 3.674 20 0 DHADRP CC(C[NH+]1CCCC(F)(F)CC1)C[N@@H+]1CCCC(F)(F)CC1 ZINC000625770423 1015184329 /nfs/dbraw/zinc/18/43/29/1015184329.db2.gz WBPPXJOUQAEFGW-UHFFFAOYSA-N 2 0 324.406 3.865 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478279 1015192325 /nfs/dbraw/zinc/19/23/25/1015192325.db2.gz DDVHRSJTDKODQM-QWHCGFSZSA-N 2 0 300.368 3.650 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000634733926 1015296134 /nfs/dbraw/zinc/29/61/34/1015296134.db2.gz RTLIFKBXSOFWNR-SNVBAGLBSA-N 2 0 306.397 3.635 20 0 DHADRP Clc1ccccc1OCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157475521 1015301368 /nfs/dbraw/zinc/30/13/68/1015301368.db2.gz XQBRYOGZDVPOEE-MRXNPFEDSA-N 2 0 322.880 3.669 20 0 DHADRP CC(C)C[N@@H+](Cc1nc(C(C)(C)C)co1)CC1CC[NH+](C)CC1 ZINC000895860707 1015328490 /nfs/dbraw/zinc/32/84/90/1015328490.db2.gz FBQVFZIIFUTCEN-UHFFFAOYSA-N 2 0 321.509 3.772 20 0 DHADRP C[C@@H]1CC(NCC2(F)CCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034482 1015342775 /nfs/dbraw/zinc/34/27/75/1015342775.db2.gz PPRIITSCGVBBAL-HZPDHXFCSA-N 2 0 304.453 3.910 20 0 DHADRP CCOCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000581848034 1015372881 /nfs/dbraw/zinc/37/28/81/1015372881.db2.gz JNLYXPLDPAPRGF-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723694069 1015376870 /nfs/dbraw/zinc/37/68/70/1015376870.db2.gz CMRVQTHBNYYUTC-IUODEOHRSA-N 2 0 311.267 3.571 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)CCO2 ZINC000161043092 1015386794 /nfs/dbraw/zinc/38/67/94/1015386794.db2.gz MBRGXZANVJOYKF-SQNIBIBYSA-N 2 0 302.462 3.535 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000474478749 1015390528 /nfs/dbraw/zinc/39/05/28/1015390528.db2.gz PKEIKFMSOQYOBT-YRXWBPOGSA-N 2 0 310.526 3.539 20 0 DHADRP CC[NH+](CC)[C@@H](CNc1cc(C)nc(C2CC2)n1)c1ccccc1 ZINC000341511517 1015430524 /nfs/dbraw/zinc/43/05/24/1015430524.db2.gz RFSZXTXQYWNAIE-SFHVURJKSA-N 2 0 324.472 4.157 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000341539372 1015470920 /nfs/dbraw/zinc/47/09/20/1015470920.db2.gz AJTJUKYHEUQQDE-QGZVFWFLSA-N 2 0 324.453 3.804 20 0 DHADRP CCN(C)CC[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000474625156 1015499682 /nfs/dbraw/zinc/49/96/82/1015499682.db2.gz XGGNPIDVQJMVKA-UHFFFAOYSA-N 2 0 302.384 3.569 20 0 DHADRP Cc1ccc(CCC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000896391522 1015569805 /nfs/dbraw/zinc/56/98/05/1015569805.db2.gz LRJPSWDOVXWIST-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000474802731 1015608709 /nfs/dbraw/zinc/60/87/09/1015608709.db2.gz ZDKOILKPISYWJO-GTAWCEEGSA-N 2 0 322.537 3.559 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000623491480 1017069931 /nfs/dbraw/zinc/06/99/31/1017069931.db2.gz WDMFSBSTYNZPLV-SQNIBIBYSA-N 2 0 320.452 3.508 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000684558150 1015736591 /nfs/dbraw/zinc/73/65/91/1015736591.db2.gz BVCUYYGDQGTUSA-OWQGQXMQSA-N 2 0 306.881 3.906 20 0 DHADRP Cc1cccnc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000294716621 1032126946 /nfs/dbraw/zinc/12/69/46/1032126946.db2.gz CFOYULNACPHQJK-APWZRJJASA-N 2 0 315.505 3.565 20 0 DHADRP CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000153973042 1015827334 /nfs/dbraw/zinc/82/73/34/1015827334.db2.gz UUJUHLBJAWKLEB-MAUKXSAKSA-N 2 0 304.478 3.856 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001168304280 1032133383 /nfs/dbraw/zinc/13/33/83/1032133383.db2.gz SFEBRXMFHKVUJP-UHFFFAOYSA-N 3 0 311.558 3.918 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc(C4CCCCC4)n3)C[C@H]21 ZINC000342092727 1015951288 /nfs/dbraw/zinc/95/12/88/1015951288.db2.gz VWODUAWKRPXMLG-DJIMGWMZSA-N 2 0 319.518 3.750 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC000657182751 1015971349 /nfs/dbraw/zinc/97/13/49/1015971349.db2.gz NRDLDAGQURSHQW-AWEZNQCLSA-N 2 0 317.864 3.710 20 0 DHADRP CCC[NH+]1CCC(NC[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000154005227 1016099927 /nfs/dbraw/zinc/09/99/27/1016099927.db2.gz GUAVGGTZNKACRO-SFHVURJKSA-N 2 0 323.550 3.595 20 0 DHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342187797 1016112377 /nfs/dbraw/zinc/11/23/77/1016112377.db2.gz RDTXNPHLRYRCPK-IBGZPJMESA-N 2 0 322.537 3.706 20 0 DHADRP COCCCC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000892085917 1016200784 /nfs/dbraw/zinc/20/07/84/1016200784.db2.gz LARKZUUKDAABOK-GOSISDBHSA-N 2 0 308.510 3.534 20 0 DHADRP CCOc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000657299932 1016241409 /nfs/dbraw/zinc/24/14/09/1016241409.db2.gz CJYPRPCMICKKFE-UHFFFAOYSA-N 2 0 312.457 3.745 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000277364341 1016243688 /nfs/dbraw/zinc/24/36/88/1016243688.db2.gz FIOFSFBWLUHXEO-LJQANCHMSA-N 2 0 309.457 3.665 20 0 DHADRP CCSC[C@H](C)[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001173316509 1033710603 /nfs/dbraw/zinc/71/06/03/1033710603.db2.gz XRUKXSFWSRBDEU-INIZCTEOSA-N 2 0 312.567 3.962 20 0 DHADRP c1csc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2)c1 ZINC000657307065 1016269339 /nfs/dbraw/zinc/26/93/39/1016269339.db2.gz IEINXRYQQHJXLB-MRXNPFEDSA-N 2 0 312.482 3.989 20 0 DHADRP COc1ccccc1CC(C)(C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168305356 1032145454 /nfs/dbraw/zinc/14/54/54/1032145454.db2.gz ISMVSCHFIDNRQR-UHFFFAOYSA-N 2 0 318.505 3.726 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC000074721907 1016295641 /nfs/dbraw/zinc/29/56/41/1016295641.db2.gz XVJVQNYWXHBXKJ-KRWDZBQOSA-N 2 0 324.468 3.709 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000346498448 1016420055 /nfs/dbraw/zinc/42/00/55/1016420055.db2.gz YGVXRYQOGXDMLE-FUHIMQAGSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000684773946 1016428267 /nfs/dbraw/zinc/42/82/67/1016428267.db2.gz MQOMGSPXTMKBEJ-OWQGQXMQSA-N 2 0 306.881 3.906 20 0 DHADRP CCc1cc2c(cc1CC)CC([NH2+]C1CCC([NH+](C)C)CC1)C2 ZINC001168305108 1032147912 /nfs/dbraw/zinc/14/79/12/1032147912.db2.gz HRKKJLQEAJXQJT-UHFFFAOYSA-N 2 0 314.517 3.741 20 0 DHADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000892230311 1016528603 /nfs/dbraw/zinc/52/86/03/1016528603.db2.gz WZKGFMWGNGSXLI-CZUORRHYSA-N 2 0 312.379 3.679 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000171127615 1016535164 /nfs/dbraw/zinc/53/51/64/1016535164.db2.gz NDEPCRHQWNAGDT-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cc(F)cc(F)c3)cc2)CC1 ZINC000629693747 1016537148 /nfs/dbraw/zinc/53/71/48/1016537148.db2.gz MACZNCQMFNZADY-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152434966 1016685623 /nfs/dbraw/zinc/68/56/23/1016685623.db2.gz ROOAIMBYSBAMQT-QFBILLFUSA-N 2 0 314.473 3.591 20 0 DHADRP Cc1sccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336704827 1016700193 /nfs/dbraw/zinc/70/01/93/1016700193.db2.gz HKWHLSCXNLCXTR-QGZVFWFLSA-N 2 0 300.471 3.668 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000336719420 1016705349 /nfs/dbraw/zinc/70/53/49/1016705349.db2.gz SEDKAXMIVPUVHC-KRWDZBQOSA-N 2 0 312.457 3.525 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1CCCOc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000582414852 1016719747 /nfs/dbraw/zinc/71/97/47/1016719747.db2.gz SUPSFIWCEDZQLW-HNNXBMFYSA-N 2 0 322.880 3.573 20 0 DHADRP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347094184 1016725375 /nfs/dbraw/zinc/72/53/75/1016725375.db2.gz QNCYIMJCGUBTFA-ZFWWWQNUSA-N 2 0 302.805 3.949 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000336864106 1016727361 /nfs/dbraw/zinc/72/73/61/1016727361.db2.gz DSCDXDWDUYIWOJ-SFHVURJKSA-N 2 0 316.489 3.971 20 0 DHADRP C[C@@H](c1ccccc1Br)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402958113 1016735675 /nfs/dbraw/zinc/73/56/75/1016735675.db2.gz VHVAYJUIEVHWFK-XEZPLFJOSA-N 2 0 323.278 3.571 20 0 DHADRP c1nc(C2CCCC2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347131341 1016752012 /nfs/dbraw/zinc/75/20/12/1016752012.db2.gz QQRZKYZWMHIVCQ-QGZVFWFLSA-N 2 0 319.518 3.765 20 0 DHADRP COc1ccc([C@H]2CCCCC[N@@H+]2CCn2ccnc2C)cc1 ZINC000342574025 1016787709 /nfs/dbraw/zinc/78/77/09/1016787709.db2.gz HLCOZAGJJCBGET-LJQANCHMSA-N 2 0 313.445 3.817 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347224717 1016796394 /nfs/dbraw/zinc/79/63/94/1016796394.db2.gz VFXAWTYCKUPOHP-DOTOQJQBSA-N 2 0 302.462 3.567 20 0 DHADRP Cc1nccn1CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000342584240 1016808883 /nfs/dbraw/zinc/80/88/83/1016808883.db2.gz QQFYKROBUVOUGN-NRFANRHFSA-N 2 0 317.436 3.839 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000281940314 1016827822 /nfs/dbraw/zinc/82/78/22/1016827822.db2.gz ABPADWKWJMQFRO-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000281940312 1016828949 /nfs/dbraw/zinc/82/89/49/1016828949.db2.gz ABPADWKWJMQFRO-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1ccc([C@H](O)[C@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926408184 1016924648 /nfs/dbraw/zinc/92/46/48/1016924648.db2.gz RLSHFTGVYMHWCP-FXAWDEMLSA-N 2 0 318.505 3.517 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCSc2ccc(Cl)cc2)CC1(C)C ZINC000623340831 1016971501 /nfs/dbraw/zinc/97/15/01/1016971501.db2.gz BCGANFSMQMADFX-CQSZACIVSA-N 2 0 312.910 3.895 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)CC1(C)C ZINC000623349869 1016983716 /nfs/dbraw/zinc/98/37/16/1016983716.db2.gz OZKNKPHQHIPNPR-SFHVURJKSA-N 2 0 312.457 3.681 20 0 DHADRP Cc1c2cc(F)ccc2oc1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376759 1017001599 /nfs/dbraw/zinc/00/15/99/1017001599.db2.gz BAMLRKLYWPXAJZ-AWEZNQCLSA-N 2 0 304.409 3.843 20 0 DHADRP Fc1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000192925956 1017029988 /nfs/dbraw/zinc/02/99/88/1017029988.db2.gz IWGLAKUQSPUJMJ-MRXNPFEDSA-N 2 0 316.395 3.577 20 0 DHADRP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000152861964 1017031411 /nfs/dbraw/zinc/03/14/11/1017031411.db2.gz MOKSEWOVRXOCEY-YLJYHZDGSA-N 2 0 317.521 3.893 20 0 DHADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623418864 1017035259 /nfs/dbraw/zinc/03/52/59/1017035259.db2.gz IXSPKGDHJBEFAJ-FUHWJXTLSA-N 2 0 317.521 3.578 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C12CCCCC2 ZINC000623430753 1017043151 /nfs/dbraw/zinc/04/31/51/1017043151.db2.gz CVTLZVHFKRDKIZ-BRWVUGGUSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435718 1017047070 /nfs/dbraw/zinc/04/70/70/1017047070.db2.gz PWQWPJMAPXILJN-HIFRSBDPSA-N 2 0 310.869 3.570 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623492050 1017069419 /nfs/dbraw/zinc/06/94/19/1017069419.db2.gz JMNPNUFFCMLZSS-MRXNPFEDSA-N 2 0 316.489 3.579 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001168306305 1032155431 /nfs/dbraw/zinc/15/54/31/1032155431.db2.gz VWYLKHJWGIWQEY-UHFFFAOYSA-N 2 0 304.453 3.753 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000361927278 1032158430 /nfs/dbraw/zinc/15/84/30/1032158430.db2.gz SLTRFNBYHSIVBF-SJLPKXTDSA-N 2 0 314.473 3.847 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC)c(OC)c1 ZINC000361972487 1032177375 /nfs/dbraw/zinc/17/73/75/1032177375.db2.gz RBYIGNLRUPSVEW-ZACQAIPSSA-N 2 0 320.477 3.617 20 0 DHADRP Cc1ccc2c(C3=CC[N@H+](CCCn4ccnc4)CC3)c[nH]c2c1 ZINC000361985764 1032183166 /nfs/dbraw/zinc/18/31/66/1032183166.db2.gz KIUOILLXGLRUNC-UHFFFAOYSA-N 2 0 320.440 3.852 20 0 DHADRP CC1(C)CC([NH+]2CCC([NH+]3CCCCC3)CC2)CC(C)(C)O1 ZINC001172654866 1033308280 /nfs/dbraw/zinc/30/82/80/1033308280.db2.gz KTZABTFBXNWKSJ-UHFFFAOYSA-N 2 0 308.510 3.673 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1 ZINC001168312411 1032209731 /nfs/dbraw/zinc/20/97/31/1032209731.db2.gz VJDRFVKAWJLOPM-ZBCRRDGASA-N 2 0 307.869 3.649 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001168312379 1032209994 /nfs/dbraw/zinc/20/99/94/1032209994.db2.gz TWXLVZBPUHXKMI-ZBCRRDGASA-N 2 0 307.869 3.649 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000623509578 1017073403 /nfs/dbraw/zinc/07/34/03/1017073403.db2.gz JHQHHLBXRKJBPY-KRWDZBQOSA-N 2 0 304.478 3.535 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1Br ZINC000089141557 1032326220 /nfs/dbraw/zinc/32/62/20/1032326220.db2.gz XXAPGHLMPZZLMJ-ZOWXZIJZSA-N 2 0 311.267 3.617 20 0 DHADRP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000623521195 1017088107 /nfs/dbraw/zinc/08/81/07/1017088107.db2.gz NJIMSFFTZVAURS-JKSUJKDBSA-N 2 0 320.477 3.617 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000773076415 1032548347 /nfs/dbraw/zinc/54/83/47/1032548347.db2.gz OBNQJWJJNZBFET-DLBZAZTESA-N 2 0 316.489 3.640 20 0 DHADRP Cc1cc(C)cc(OC[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168351239 1032550321 /nfs/dbraw/zinc/55/03/21/1032550321.db2.gz NFLOFYPZBWOUCK-QGZVFWFLSA-N 2 0 316.489 3.535 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cncs2)CC1 ZINC000093844512 1032560715 /nfs/dbraw/zinc/56/07/15/1032560715.db2.gz PXCCWRQDUAXKKD-OAHLLOKOSA-N 2 0 307.507 3.620 20 0 DHADRP Cc1ncccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000093844589 1032560958 /nfs/dbraw/zinc/56/09/58/1032560958.db2.gz HZOJOSDJRLIZIQ-QGZVFWFLSA-N 2 0 315.505 3.867 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000541555111 1032581041 /nfs/dbraw/zinc/58/10/41/1032581041.db2.gz MKNAEXVBOBLZQM-BPQIPLTHSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000424370397 1012012966 /nfs/dbraw/zinc/01/29/66/1012012966.db2.gz CFUNXMBHNWYQAT-GJZGRUSLSA-N 2 0 306.881 3.908 20 0 DHADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000424366752 1012013849 /nfs/dbraw/zinc/01/38/49/1012013849.db2.gz JLIFEOURKYUILN-HUUCEWRRSA-N 2 0 301.261 3.786 20 0 DHADRP Cc1nc2ccc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2s1 ZINC000424388623 1012015888 /nfs/dbraw/zinc/01/58/88/1012015888.db2.gz ZKWLNDSCSUTMSZ-CYBMUJFWSA-N 2 0 315.486 3.569 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414907632 1012021213 /nfs/dbraw/zinc/02/12/13/1012021213.db2.gz AUCRYIIHMNRLTF-OLZOCXBDSA-N 2 0 306.759 3.718 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546093 1012094779 /nfs/dbraw/zinc/09/47/79/1012094779.db2.gz IFLAGHRWAHAIJI-OALUTQOASA-N 2 0 300.490 3.908 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1 ZINC000643546221 1012095969 /nfs/dbraw/zinc/09/59/69/1012095969.db2.gz KJQHVHPYVSRIEJ-WFASDCNBSA-N 2 0 323.278 3.774 20 0 DHADRP CC[NH+](CC)CCC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000683141847 1012104303 /nfs/dbraw/zinc/10/43/03/1012104303.db2.gz WYIGGUGAKUKADD-WOJBJXKFSA-N 2 0 318.505 3.818 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546861 1012106065 /nfs/dbraw/zinc/10/60/65/1012106065.db2.gz VXJBCDKYNGOMQD-AEFFLSMTSA-N 2 0 314.473 3.781 20 0 DHADRP COCCC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1 ZINC000643547276 1012112565 /nfs/dbraw/zinc/11/25/65/1012112565.db2.gz BXSZKSIVKABNNN-ROUUACIJSA-N 2 0 320.452 3.558 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954500 1032605804 /nfs/dbraw/zinc/60/58/04/1032605804.db2.gz WLEBEMLIIMJTSV-ABAIWWIYSA-N 2 0 313.272 3.656 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000514232980 1012303906 /nfs/dbraw/zinc/30/39/06/1012303906.db2.gz SZULTAGISXQRKG-APWZRJJASA-N 2 0 304.478 3.810 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000353460286 1012385400 /nfs/dbraw/zinc/38/54/00/1012385400.db2.gz KXDXEHWFGGDLGS-UHFFFAOYSA-N 2 0 316.367 3.548 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CC12CCCC2 ZINC000683205907 1012394402 /nfs/dbraw/zinc/39/44/02/1012394402.db2.gz QKHUQSTWGGYMIP-IBGZPJMESA-N 2 0 314.473 3.584 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCO1 ZINC000648483923 1012411327 /nfs/dbraw/zinc/41/13/27/1012411327.db2.gz OGXSYLQDTFAEAT-JEVOJNTISA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]1C[C@@H]([N@H+](C)CCCOc2cccc(Cl)c2)CCN1C ZINC000123140744 1032627150 /nfs/dbraw/zinc/62/71/50/1032627150.db2.gz LXSPUIIFJGXZOW-HOCLYGCPSA-N 2 0 310.869 3.523 20 0 DHADRP C[NH+](C)CCC[N@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC001208685443 1012542577 /nfs/dbraw/zinc/54/25/77/1012542577.db2.gz ABOYYEYSRPPMFT-UHFFFAOYSA-N 2 0 302.384 3.522 20 0 DHADRP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc12 ZINC001167959883 1012613978 /nfs/dbraw/zinc/61/39/78/1012613978.db2.gz UAOOWNFOQANCNI-DFNIBXOVSA-N 2 0 323.484 3.720 20 0 DHADRP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cccc(Br)c1 ZINC000037141003 1012834882 /nfs/dbraw/zinc/83/48/82/1012834882.db2.gz JWXSYZMTEYDXSS-GFCCVEGCSA-N 2 0 323.278 3.727 20 0 DHADRP C[N@H+](CCCn1ccnc1)Cc1cc(C(F)(F)F)ccc1F ZINC000290609795 1012916349 /nfs/dbraw/zinc/91/63/49/1012916349.db2.gz WLYQJFOWPDKWCZ-UHFFFAOYSA-N 2 0 315.314 3.563 20 0 DHADRP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000366678733 1012919247 /nfs/dbraw/zinc/91/92/47/1012919247.db2.gz MVDWLTWLKBRJBS-DLBZAZTESA-N 2 0 308.510 3.578 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCCC34CC4)CC2)c1 ZINC000517247066 1012943867 /nfs/dbraw/zinc/94/38/67/1012943867.db2.gz NXHJOSTYMLECQP-KRWDZBQOSA-N 2 0 304.503 3.882 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@H]2CCC[C@H]21 ZINC000425924442 1012958184 /nfs/dbraw/zinc/95/81/84/1012958184.db2.gz MQUKTYJPDVRHKI-NZSAHSFTSA-N 2 0 302.437 3.666 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1)C[NH+](C)C ZINC000425941991 1012981739 /nfs/dbraw/zinc/98/17/39/1012981739.db2.gz DEWKXILVCNVLTM-STQMWFEESA-N 2 0 316.461 3.892 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425941598 1012983716 /nfs/dbraw/zinc/98/37/16/1012983716.db2.gz CBDNLEDEVQUAJF-UONOGXRCSA-N 2 0 317.502 3.967 20 0 DHADRP C[C@H]([NH2+]CCc1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000177727126 1017113837 /nfs/dbraw/zinc/11/38/37/1017113837.db2.gz FVLWQMFEIFTDOZ-HNNXBMFYSA-N 2 0 318.486 3.582 20 0 DHADRP COc1cccc(C2([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CCC2)c1 ZINC000623573623 1017117780 /nfs/dbraw/zinc/11/77/80/1017117780.db2.gz PELRVNVIDLOHGS-INIZCTEOSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccn1 ZINC000657536116 1017222950 /nfs/dbraw/zinc/22/29/50/1017222950.db2.gz TWLIIMOCCSCOPD-MRXNPFEDSA-N 2 0 301.478 3.572 20 0 DHADRP CCCC1CCC([N@H+](C)Cc2ncc(CN(C)C)s2)CC1 ZINC000348419656 1032687730 /nfs/dbraw/zinc/68/77/30/1032687730.db2.gz KNJZLKVYNABXIK-UHFFFAOYSA-N 2 0 309.523 3.995 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000623751768 1017343104 /nfs/dbraw/zinc/34/31/04/1017343104.db2.gz LQTCZCHOACHOPY-BQFCYCMXSA-N 2 0 304.865 3.934 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834945 1017365869 /nfs/dbraw/zinc/36/58/69/1017365869.db2.gz YXOUCIVJYBWYMD-LJQANCHMSA-N 2 0 316.489 3.653 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000314767942 1017397206 /nfs/dbraw/zinc/39/72/06/1017397206.db2.gz AKUQSLIETHBRJL-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP [NH2+]=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccccc1 ZINC000303380500 1017400080 /nfs/dbraw/zinc/40/00/80/1017400080.db2.gz RBFKXKPWOFGLQR-UHFFFAOYSA-N 2 0 314.477 3.812 20 0 DHADRP Cc1nccn1CCC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000338009740 1017494738 /nfs/dbraw/zinc/49/47/38/1017494738.db2.gz VKTDKWFKWKOXQX-LRVUVFPRSA-N 2 0 317.399 3.928 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173374819 1032703996 /nfs/dbraw/zinc/70/39/96/1032703996.db2.gz LZKUGQZDAOSOCQ-HNNXBMFYSA-N 2 0 322.518 3.560 20 0 DHADRP CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1OC(F)F ZINC000339070316 1017534771 /nfs/dbraw/zinc/53/47/71/1017534771.db2.gz MANCFRGGELONTJ-YCPHGPKFSA-N 2 0 324.415 3.956 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)cc1 ZINC000623853996 1017546885 /nfs/dbraw/zinc/54/68/85/1017546885.db2.gz OCTPMNRLDVMREQ-LPHOPBHVSA-N 2 0 304.478 3.576 20 0 DHADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000623878767 1017547979 /nfs/dbraw/zinc/54/79/79/1017547979.db2.gz PEYMDDZXRMOGGP-CYBMUJFWSA-N 2 0 313.283 3.750 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCCO1 ZINC000623880906 1017553930 /nfs/dbraw/zinc/55/39/30/1017553930.db2.gz XUIUUFUERAVTID-QAPCUYQASA-N 2 0 322.518 3.507 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1C ZINC000657612601 1017571082 /nfs/dbraw/zinc/57/10/82/1017571082.db2.gz AVZLFBGIGGUGRG-FUHIMQAGSA-N 2 0 315.505 3.708 20 0 DHADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444625215 1017598163 /nfs/dbraw/zinc/59/81/63/1017598163.db2.gz NZEBAFGOFBEHJZ-FQEVSTJZSA-N 2 0 300.490 3.878 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623960482 1017607229 /nfs/dbraw/zinc/60/72/29/1017607229.db2.gz YWGKAAXAOKYYCW-CPUCHLNUSA-N 2 0 324.896 3.878 20 0 DHADRP CCc1ccccc1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000444640034 1017612553 /nfs/dbraw/zinc/61/25/53/1017612553.db2.gz MTFNBGBHVXFOBZ-FQEVSTJZSA-N 2 0 300.490 3.742 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000193145544 1017656134 /nfs/dbraw/zinc/65/61/34/1017656134.db2.gz KTSXPVQNCGBNSA-QAPCUYQASA-N 2 0 301.478 3.712 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000624122981 1017694243 /nfs/dbraw/zinc/69/42/43/1017694243.db2.gz CCZWSDQILLHHKQ-MUYFXNHWSA-N 2 0 308.510 3.578 20 0 DHADRP COCCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000624123591 1017696893 /nfs/dbraw/zinc/69/68/93/1017696893.db2.gz ORXJYKVEHDSGFQ-LPHOPBHVSA-N 2 0 322.468 3.615 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657667743 1017717733 /nfs/dbraw/zinc/71/77/33/1017717733.db2.gz XYJDEODTKLOWGH-HYVNUMGLSA-N 2 0 308.416 3.674 20 0 DHADRP C[C@@]1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1(F)F ZINC000657670816 1017730902 /nfs/dbraw/zinc/73/09/02/1017730902.db2.gz PNHADWOHPYUGGC-MRXNPFEDSA-N 2 0 300.437 3.809 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(Cl)c1 ZINC000090956481 1017833651 /nfs/dbraw/zinc/83/36/51/1017833651.db2.gz SEFOEBTVBUMFQR-HUUCEWRRSA-N 2 0 322.855 3.727 20 0 DHADRP C[C@@H](C[NH2+]Cc1cccc(Cn2ccnc2)c1)Cc1ccccc1 ZINC000182052469 1017855741 /nfs/dbraw/zinc/85/57/41/1017855741.db2.gz NGOXRJWLCVMHSD-GOSISDBHSA-N 2 0 319.452 3.900 20 0 DHADRP CC(C)[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182063250 1017858020 /nfs/dbraw/zinc/85/80/20/1017858020.db2.gz FWVBZUHOUBTOJN-SFHVURJKSA-N 2 0 310.432 3.983 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358795055 1017886157 /nfs/dbraw/zinc/88/61/57/1017886157.db2.gz ZSSLHPYNXCSYQF-UKRRQHHQSA-N 2 0 300.368 3.582 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccsc1 ZINC000658069807 1018026040 /nfs/dbraw/zinc/02/60/40/1018026040.db2.gz IKHIULCGFVBKOQ-GOSISDBHSA-N 2 0 322.518 3.680 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000628202981 1018028299 /nfs/dbraw/zinc/02/82/99/1018028299.db2.gz OYELMRTWSVKDEW-ZNMIVQPWSA-N 2 0 302.453 3.768 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC(F)(F)C1 ZINC000628202978 1018029407 /nfs/dbraw/zinc/02/94/07/1018029407.db2.gz OYELMRTWSVKDEW-KFWWJZLASA-N 2 0 302.453 3.768 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)[C@H](C)C1 ZINC001171472552 1032743082 /nfs/dbraw/zinc/74/30/82/1032743082.db2.gz NXINGKMYQJHERC-VVFCZOMOSA-N 2 0 322.443 3.531 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185747580 1018127991 /nfs/dbraw/zinc/12/79/91/1018127991.db2.gz ZFAZSRXZKBXQLT-IEBWSBKVSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@@H]([NH2+]CCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123921627 1018136122 /nfs/dbraw/zinc/13/61/22/1018136122.db2.gz SGCLLDOPWIHOLS-NVXWUHKLSA-N 2 0 304.453 3.611 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171474336 1032745192 /nfs/dbraw/zinc/74/51/92/1032745192.db2.gz VUOCPYJWLVLHPB-RHSMWYFYSA-N 2 0 322.443 3.663 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCC(F)(F)CC1 ZINC000658357303 1018183222 /nfs/dbraw/zinc/18/32/22/1018183222.db2.gz SRXLAEGGDILNNB-CQSZACIVSA-N 2 0 314.464 3.912 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CC[N@@H+]1C ZINC000525195262 1018198963 /nfs/dbraw/zinc/19/89/63/1018198963.db2.gz AGFPRBQFJOKLEW-RDJZCZTQSA-N 2 0 302.462 3.580 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@]3(C)CC3(F)F)CC2)C1 ZINC000658217121 1018285785 /nfs/dbraw/zinc/28/57/85/1018285785.db2.gz DQTPZOXKDIRJIK-VNQPRFMTSA-N 2 0 300.437 3.664 20 0 DHADRP Cc1cccc(CC[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446884089 1018287784 /nfs/dbraw/zinc/28/77/84/1018287784.db2.gz MKJFFCIYDQTROX-QGZVFWFLSA-N 2 0 300.490 3.780 20 0 DHADRP CC(C)C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccncc1 ZINC000647283864 1018292494 /nfs/dbraw/zinc/29/24/94/1018292494.db2.gz QBVHCBHHUBLWAX-LJQANCHMSA-N 2 0 301.478 3.633 20 0 DHADRP C[NH+]1CCC2(CC[N@H+](Cc3csc4ccccc34)C2)CC1 ZINC001140639026 1018298695 /nfs/dbraw/zinc/29/86/95/1018298695.db2.gz HYRKWLISOJGKNN-UHFFFAOYSA-N 2 0 300.471 3.819 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000658236421 1018317605 /nfs/dbraw/zinc/31/76/05/1018317605.db2.gz VUJXHUVAWDIYGA-JXFKEZNVSA-N 2 0 300.490 3.860 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000383405088 1018400039 /nfs/dbraw/zinc/40/00/39/1018400039.db2.gz QYAUVCFLXDIZEI-LJQANCHMSA-N 2 0 324.468 3.621 20 0 DHADRP c1ccc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000383592800 1018419084 /nfs/dbraw/zinc/41/90/84/1018419084.db2.gz OFHJGHKXRBDEKO-FCHUYYIVSA-N 2 0 320.480 3.683 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647290417 1018427144 /nfs/dbraw/zinc/42/71/44/1018427144.db2.gz FURGZQMCGCFQHR-IBGZPJMESA-N 2 0 303.494 3.880 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cscc2C(F)(F)F)C1 ZINC000564414050 1018427481 /nfs/dbraw/zinc/42/74/81/1018427481.db2.gz CPLFWRUPWQGIOH-NSHDSACASA-N 2 0 306.397 3.587 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447567633 1018427449 /nfs/dbraw/zinc/42/74/49/1018427449.db2.gz CTQXMJBQPGLCIQ-ORAYPTAESA-N 2 0 302.437 3.523 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000383808177 1018437891 /nfs/dbraw/zinc/43/78/91/1018437891.db2.gz PFMKUTNHGMVHNW-PMACEKPBSA-N 2 0 324.468 3.668 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C1CCC(F)(F)CC1 ZINC000353245298 1018445258 /nfs/dbraw/zinc/44/52/58/1018445258.db2.gz TUGHJSCBUBUITD-ZDUSSCGKSA-N 2 0 300.437 3.807 20 0 DHADRP COCCN(C)CC[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000448055431 1018446642 /nfs/dbraw/zinc/44/66/42/1018446642.db2.gz HLVSMGIYSOQDNB-LJQANCHMSA-N 2 0 316.489 3.618 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000925199912 1018457532 /nfs/dbraw/zinc/45/75/32/1018457532.db2.gz WYTBSFVRAJHXCK-KXBFYZLASA-N 2 0 304.478 3.604 20 0 DHADRP C[N@H+](CCCc1c(F)cccc1Cl)CC1CC[NH+](C)CC1 ZINC000447743586 1018467528 /nfs/dbraw/zinc/46/75/28/1018467528.db2.gz VBFHKYCCLJSCFY-UHFFFAOYSA-N 2 0 312.860 3.685 20 0 DHADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583491637 1018505048 /nfs/dbraw/zinc/50/50/48/1018505048.db2.gz JYBXRHJECKNIBC-QRVBRYPASA-N 2 0 300.490 3.923 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000650720619 1018574039 /nfs/dbraw/zinc/57/40/39/1018574039.db2.gz VZAFNUDMTQDJBU-AWEZNQCLSA-N 2 0 302.849 3.780 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)C2 ZINC001171556219 1032774978 /nfs/dbraw/zinc/77/49/78/1032774978.db2.gz IKSVLLHYFLENQZ-BBTUJRGHSA-N 2 0 314.517 3.986 20 0 DHADRP Fc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000650740705 1018629612 /nfs/dbraw/zinc/62/96/12/1018629612.db2.gz OUKBKBCQMXHOLX-AYOQOUSVSA-N 2 0 316.464 3.758 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675933876 1018631923 /nfs/dbraw/zinc/63/19/23/1018631923.db2.gz UNXMBAHLIXEQOV-IRXDYDNUSA-N 2 0 318.505 3.992 20 0 DHADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650742143 1018635119 /nfs/dbraw/zinc/63/51/19/1018635119.db2.gz RRQCCDQDJMDYSP-MCNSXXNHSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000675929340 1018635983 /nfs/dbraw/zinc/63/59/83/1018635983.db2.gz ZOFZIXGNPCOFTO-MRXNPFEDSA-N 2 0 301.478 3.572 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000675928936 1018636471 /nfs/dbraw/zinc/63/64/71/1018636471.db2.gz RULLVHWFMVCPQW-GOEBONIOSA-N 2 0 318.427 3.819 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc2)c1 ZINC000650746088 1018646982 /nfs/dbraw/zinc/64/69/82/1018646982.db2.gz VVNGRVDAMXLQAP-HXUWFJFHSA-N 2 0 324.468 3.698 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1Cl ZINC000650746627 1018648291 /nfs/dbraw/zinc/64/82/91/1018648291.db2.gz GYGOFKWZGRIHRM-CYBMUJFWSA-N 2 0 310.869 3.907 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000650746527 1018648612 /nfs/dbraw/zinc/64/86/12/1018648612.db2.gz DYLLKAPPRKBVBI-IBGZPJMESA-N 2 0 312.432 3.828 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000650748143 1018650366 /nfs/dbraw/zinc/65/03/66/1018650366.db2.gz OCFKBIZEYUNGOV-DOTOQJQBSA-N 2 0 306.881 3.770 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCC(F)(F)CC1 ZINC000650754790 1018679216 /nfs/dbraw/zinc/67/92/16/1018679216.db2.gz QVIPIFKKIXJKGK-NSHDSACASA-N 2 0 300.368 3.588 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH3+])(CC3CCC3)CC1)C2 ZINC001171558462 1032778451 /nfs/dbraw/zinc/77/84/51/1032778451.db2.gz JHBHFXFMVILQRC-LJQANCHMSA-N 2 0 312.501 3.836 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000650756519 1018683874 /nfs/dbraw/zinc/68/38/74/1018683874.db2.gz CTBVXXLRVWNAMY-CQSZACIVSA-N 2 0 314.477 3.517 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000650757910 1018691977 /nfs/dbraw/zinc/69/19/77/1018691977.db2.gz DQTWMSOLFHWOMA-OAHLLOKOSA-N 2 0 305.425 3.805 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1cc(F)ccc1F ZINC000650758501 1018692194 /nfs/dbraw/zinc/69/21/94/1018692194.db2.gz QVGKEAJCBZLZJF-GOSISDBHSA-N 2 0 304.384 3.925 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763919 1018714575 /nfs/dbraw/zinc/71/45/75/1018714575.db2.gz MFCRZGKWFGEVAV-OAHLLOKOSA-N 2 0 310.894 3.856 20 0 DHADRP Cc1cccc2c1CC[C@H]([N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171559261 1032781944 /nfs/dbraw/zinc/78/19/44/1032781944.db2.gz ZAXNSFQFBHJPCH-FHWLQOOXSA-N 2 0 300.490 3.833 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001171560607 1032782040 /nfs/dbraw/zinc/78/20/40/1032782040.db2.gz UEKRWCGUTGSRBE-IBGZPJMESA-N 2 0 314.517 3.952 20 0 DHADRP CSCc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000921514934 1018807501 /nfs/dbraw/zinc/80/75/01/1018807501.db2.gz WLHXMRFVTUQYNN-UHFFFAOYSA-N 2 0 314.498 3.901 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000624267484 1018826385 /nfs/dbraw/zinc/82/63/85/1018826385.db2.gz OIUVPRUNGOGPFZ-IRFCIJBXSA-N 2 0 321.468 3.711 20 0 DHADRP C[NH+]1C(C)(C)CC([NH+]2CCC(OC3CCC3)CC2)CC1(C)C ZINC001171631040 1032794077 /nfs/dbraw/zinc/79/40/77/1032794077.db2.gz DDLGAFICPSSPIE-UHFFFAOYSA-N 2 0 308.510 3.671 20 0 DHADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778858 1018931218 /nfs/dbraw/zinc/93/12/18/1018931218.db2.gz REJBSLKVQAJCMO-MSOLQXFVSA-N 2 0 313.470 3.651 20 0 DHADRP C[NH+]1C(C)(C)CC([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1(C)C ZINC001171632022 1032795495 /nfs/dbraw/zinc/79/54/95/1032795495.db2.gz SXWWTZCKPURHOL-OCCSQVGLSA-N 2 0 300.437 3.615 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC2(Cc3cccnc3)CC2)CC1(C)C ZINC001171630481 1032796280 /nfs/dbraw/zinc/79/62/80/1032796280.db2.gz OVNGKVXWIZBXST-UHFFFAOYSA-N 2 0 315.505 3.645 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)c1 ZINC001168684018 1018963708 /nfs/dbraw/zinc/96/37/08/1018963708.db2.gz CNPIIVWEXAXTIN-QGZVFWFLSA-N 2 0 314.860 3.659 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](CNc2ccnc3cc(F)c(Cl)cc32)C1 ZINC000656212005 1018968064 /nfs/dbraw/zinc/96/80/64/1018968064.db2.gz VPHGLUKMHMUQLI-PHIMTYICSA-N 2 0 307.800 3.779 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C(F)F)nc1 ZINC000657828899 1018969011 /nfs/dbraw/zinc/96/90/11/1018969011.db2.gz VYEWEWQORGVAEI-ZDUSSCGKSA-N 2 0 319.399 3.932 20 0 DHADRP [NH3+]CCC[N@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CCCCC1 ZINC001168685399 1018973106 /nfs/dbraw/zinc/97/31/06/1018973106.db2.gz PKGSPCKYGXSYQD-INIZCTEOSA-N 2 0 306.881 3.791 20 0 DHADRP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000159123017 1019006836 /nfs/dbraw/zinc/00/68/36/1019006836.db2.gz AKLSUZCUISBIDO-FQEVSTJZSA-N 2 0 318.505 3.791 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)Cc2ccccn2)CC1(C)C ZINC001171630077 1032796842 /nfs/dbraw/zinc/79/68/42/1032796842.db2.gz HTAXUWNPWRTNGM-UHFFFAOYSA-N 2 0 303.494 3.644 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCC1 ZINC000657836387 1019040218 /nfs/dbraw/zinc/04/02/18/1019040218.db2.gz RUAMUHWHDNYCFN-MRXNPFEDSA-N 2 0 304.478 3.574 20 0 DHADRP CCOc1cccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171619054 1032804007 /nfs/dbraw/zinc/80/40/07/1032804007.db2.gz GBXYJLWKASXRLR-UHFFFAOYSA-N 2 0 318.505 3.869 20 0 DHADRP CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ncc(CN(C)C)s1 ZINC000347912751 1019056852 /nfs/dbraw/zinc/05/68/52/1019056852.db2.gz FQICAKKEXNGGHY-HNNXBMFYSA-N 2 0 309.523 3.995 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCCCc2ccccn2)CC1(C)C ZINC001171623302 1032807282 /nfs/dbraw/zinc/80/72/82/1032807282.db2.gz SHBWWIUURIBCKJ-UHFFFAOYSA-N 2 0 303.494 3.645 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]1NCc1ccccc1OCc1ccccc1 ZINC000310394058 1019096078 /nfs/dbraw/zinc/09/60/78/1019096078.db2.gz FDDIXDMNJKZJQJ-FQEVSTJZSA-N 2 0 324.468 3.743 20 0 DHADRP C[NH+]1C(C)(C)CC(N2C[C@@H](CC[NH3+])c3ccccc32)CC1(C)C ZINC001171623388 1032807618 /nfs/dbraw/zinc/80/76/18/1032807618.db2.gz WVJOPQOHSAZKLB-OAHLLOKOSA-N 2 0 315.505 3.590 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000921606644 1019107389 /nfs/dbraw/zinc/10/73/89/1019107389.db2.gz JTQINBXNTRBVDF-UHFFFAOYSA-N 2 0 324.468 3.752 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995071 1032808071 /nfs/dbraw/zinc/80/80/71/1032808071.db2.gz CCNWDAGINOBPSU-CHWSQXEVSA-N 2 0 312.910 3.987 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)CC3 ZINC000666995443 1032808229 /nfs/dbraw/zinc/80/82/29/1032808229.db2.gz NYHZRQSSAKQFGV-HOTGVXAUSA-N 2 0 323.484 3.598 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623215 1032808257 /nfs/dbraw/zinc/80/82/57/1032808257.db2.gz OXYDEUOEJQGBGS-KRWDZBQOSA-N 2 0 316.489 3.924 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC000666996903 1032809083 /nfs/dbraw/zinc/80/90/83/1032809083.db2.gz LCSCAWFGSHGRGY-AWEZNQCLSA-N 2 0 323.278 3.522 20 0 DHADRP CC[C@@](C)([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C)cs1 ZINC000923325146 1019131325 /nfs/dbraw/zinc/13/13/25/1019131325.db2.gz AMYMAMWSRBXYNC-UCMJJCQDSA-N 2 0 307.507 3.587 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc2ccncc2s1 ZINC000657847727 1019149291 /nfs/dbraw/zinc/14/92/91/1019149291.db2.gz YQWMMFYUBYGLAB-CYBMUJFWSA-N 2 0 315.486 3.821 20 0 DHADRP Cc1nc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365068 1019153284 /nfs/dbraw/zinc/15/32/84/1019153284.db2.gz RVWRKLCDBZLHNK-LSDHHAIUSA-N 2 0 321.534 3.713 20 0 DHADRP C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000156900257 1019155277 /nfs/dbraw/zinc/15/52/77/1019155277.db2.gz MDLAIDQIRCYMFW-ZDUSSCGKSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@@H]1CC(F)(F)CC[NH+]1C/C=C/C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980185 1019173258 /nfs/dbraw/zinc/17/32/58/1019173258.db2.gz HOGHGMOXSUKMJH-ISANGGDFSA-N 2 0 322.390 3.782 20 0 DHADRP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923427067 1019188406 /nfs/dbraw/zinc/18/84/06/1019188406.db2.gz XVFRSGZKQPDVBT-PSAQHYCVSA-N 2 0 316.411 3.572 20 0 DHADRP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449956 1019210996 /nfs/dbraw/zinc/21/09/96/1019210996.db2.gz RIFFVJVDBHESKT-SJORKVTESA-N 2 0 322.880 3.621 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998430 1032814966 /nfs/dbraw/zinc/81/49/66/1032814966.db2.gz SVMLGYYBARTLCD-QGZVFWFLSA-N 2 0 302.462 3.630 20 0 DHADRP CS[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000921962278 1019224019 /nfs/dbraw/zinc/22/40/19/1019224019.db2.gz XDRGUXGAYFLHBF-SJLPKXTDSA-N 2 0 319.518 3.562 20 0 DHADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000923483195 1019231383 /nfs/dbraw/zinc/23/13/83/1019231383.db2.gz NIBHQWGBVRATMT-GFCCVEGCSA-N 2 0 321.877 3.634 20 0 DHADRP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923497357 1019244369 /nfs/dbraw/zinc/24/43/69/1019244369.db2.gz LEBVPUUGTGEYPM-ZBFHGGJFSA-N 2 0 315.486 3.535 20 0 DHADRP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000921981813 1019256081 /nfs/dbraw/zinc/25/60/81/1019256081.db2.gz XKSHJTIVEMXXSG-XLMAVXFVSA-N 2 0 310.551 3.903 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2scnc2C2CC2)c1 ZINC000487311895 1019361329 /nfs/dbraw/zinc/36/13/29/1019361329.db2.gz QSWXDAAJEUVHDB-UHFFFAOYSA-N 2 0 315.486 3.762 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000089511729 1019367192 /nfs/dbraw/zinc/36/71/92/1019367192.db2.gz LLRMXPREFYVNLT-UWJYYQICSA-N 2 0 324.468 3.695 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccnc1 ZINC000091340397 1019460353 /nfs/dbraw/zinc/46/03/53/1019460353.db2.gz KTPAQFCWNQUXET-IBGZPJMESA-N 2 0 315.436 3.769 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](c3ccncc3)C2)CC1(C)C ZINC001171636460 1032835112 /nfs/dbraw/zinc/83/51/12/1032835112.db2.gz DXUYGEBFUXGXQV-INIZCTEOSA-N 2 0 301.478 3.522 20 0 DHADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C12CCC2 ZINC000453064688 1019508346 /nfs/dbraw/zinc/50/83/46/1019508346.db2.gz UGCXHWVWJDUMBE-MOPGFXCFSA-N 2 0 316.489 3.574 20 0 DHADRP Clc1ccnc2c1CCC[C@@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568642 1019511729 /nfs/dbraw/zinc/51/17/29/1019511729.db2.gz VMBREIOWTFXZQS-INIZCTEOSA-N 2 0 312.804 3.550 20 0 DHADRP C[NH+](C)CC(C)(C)CNc1cc(OCc2ccccc2)cc[nH+]1 ZINC001168764473 1019526746 /nfs/dbraw/zinc/52/67/46/1019526746.db2.gz WUSITQJSSHDDPF-UHFFFAOYSA-N 2 0 313.445 3.660 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H](c3ccccn3)C2)CC1(C)C ZINC001171639319 1032837243 /nfs/dbraw/zinc/83/72/43/1032837243.db2.gz FMJCHYSNZFEFFK-INIZCTEOSA-N 2 0 315.505 3.912 20 0 DHADRP CN(Cc1ccc(Cl)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336718 1019557386 /nfs/dbraw/zinc/55/73/86/1019557386.db2.gz YFKOOWLTVFCBLP-INIZCTEOSA-N 2 0 318.848 3.887 20 0 DHADRP C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000163314203 1019573447 /nfs/dbraw/zinc/57/34/47/1019573447.db2.gz ULGYQBJONJKXEZ-BIENJYKASA-N 2 0 304.453 3.769 20 0 DHADRP [NH3+]CCc1cn([C@@H]2Cc3cccc(Cl)c3C2)c2cc[nH+]cc12 ZINC001168703306 1019589692 /nfs/dbraw/zinc/58/96/92/1019589692.db2.gz CIIKJVOANXNHGN-CQSZACIVSA-N 2 0 311.816 3.531 20 0 DHADRP COc1ccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)ccc2c1 ZINC000058060957 1019604921 /nfs/dbraw/zinc/60/49/21/1019604921.db2.gz HETCJJZVEXQJDK-KRWDZBQOSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@@H]([NH2+]CCc1c[nH]c2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000624331665 1019619414 /nfs/dbraw/zinc/61/94/14/1019619414.db2.gz GLSDSKYBVWXHIW-CYBMUJFWSA-N 2 0 319.880 3.684 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657872106 1019687287 /nfs/dbraw/zinc/68/72/87/1019687287.db2.gz NCKRXHKCUHLVFF-CYBMUJFWSA-N 2 0 311.420 3.792 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000065223142 1019897942 /nfs/dbraw/zinc/89/79/42/1019897942.db2.gz JNUZWRNFMKNIQN-UHFFFAOYSA-N 2 0 324.896 3.773 20 0 DHADRP C[C@@H](CC[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+](C)Cc1ccccc1 ZINC000628226839 1019908951 /nfs/dbraw/zinc/90/89/51/1019908951.db2.gz GNOQFUCBIRBIEQ-GJZGRUSLSA-N 2 0 310.432 3.920 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)[C@H]2CCC[C@@H]21 ZINC000671756160 1019967535 /nfs/dbraw/zinc/96/75/35/1019967535.db2.gz WNUSMEAKPNSDDO-QYZOEREBSA-N 2 0 316.489 3.826 20 0 DHADRP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000685619205 1019982250 /nfs/dbraw/zinc/98/22/50/1019982250.db2.gz UDWNYFUBODXGLH-AWEZNQCLSA-N 2 0 312.548 3.928 20 0 DHADRP c1nc2c([nH]1)C[C@@H]([NH2+]C1CCC(C3CCCCC3)CC1)CC2 ZINC000685629788 1019988254 /nfs/dbraw/zinc/98/82/54/1019988254.db2.gz ZVMCFSRMFKKVPO-JCYILVPMSA-N 2 0 301.478 3.996 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000657933932 1020007747 /nfs/dbraw/zinc/00/77/47/1020007747.db2.gz YMLXMEUGRZYQJJ-VQCLRJIVSA-N 2 0 301.434 3.599 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000158265289 1020017415 /nfs/dbraw/zinc/01/74/15/1020017415.db2.gz NWXCGAIVJBZWOG-IAQYHMDHSA-N 2 0 313.272 3.912 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)C1CC[NH+](C)CC1 ZINC000132138096 1020043023 /nfs/dbraw/zinc/04/30/23/1020043023.db2.gz SIVIDPMSSNVBJL-HNNXBMFYSA-N 2 0 304.453 3.567 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc2ccncc2s1 ZINC000658032551 1020097871 /nfs/dbraw/zinc/09/78/71/1020097871.db2.gz SENQOOSXOUFKCO-CYBMUJFWSA-N 2 0 303.475 3.821 20 0 DHADRP CCOC1CCC([NH2+]CCC[N@H+](CC)C2CCCCC2)CC1 ZINC000658043315 1020104853 /nfs/dbraw/zinc/10/48/53/1020104853.db2.gz NBRZEXNXSBZLAK-UHFFFAOYSA-N 2 0 310.526 3.968 20 0 DHADRP CSc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000922503820 1020105340 /nfs/dbraw/zinc/10/53/40/1020105340.db2.gz KUFDGDMELUVDAY-UHFFFAOYSA-N 2 0 308.491 3.888 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000658059510 1020110275 /nfs/dbraw/zinc/11/02/75/1020110275.db2.gz RZGDJXQIBDWEFS-MRXNPFEDSA-N 2 0 310.526 3.823 20 0 DHADRP c1ccc(CN2CCC([NH2+]C[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000123907333 1020115929 /nfs/dbraw/zinc/11/59/29/1020115929.db2.gz QLVQDBLIJZRTOQ-IBGZPJMESA-N 2 0 306.453 3.581 20 0 DHADRP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067646 1020126891 /nfs/dbraw/zinc/12/68/91/1020126891.db2.gz OSTYULCBDJXBCD-MSOLQXFVSA-N 2 0 324.553 3.928 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1C(C)(C)C1(C)C ZINC000658067109 1020127496 /nfs/dbraw/zinc/12/74/96/1020127496.db2.gz JSSDDROYBPFGQN-HNNXBMFYSA-N 2 0 322.537 3.538 20 0 DHADRP C[C@@H](CCC(C)(C)C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069530 1020129129 /nfs/dbraw/zinc/12/91/29/1020129129.db2.gz GQEVKHZLTWCMEX-INIZCTEOSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658090253 1020137297 /nfs/dbraw/zinc/13/72/97/1020137297.db2.gz HGFJTKNRCMANDP-POAQFYNOSA-N 2 0 322.537 3.824 20 0 DHADRP CC1(C)CCc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2O1 ZINC000731677401 1020137167 /nfs/dbraw/zinc/13/71/67/1020137167.db2.gz PDKNYRYMFFCTRL-MSOLQXFVSA-N 2 0 314.473 3.507 20 0 DHADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658161734 1020195705 /nfs/dbraw/zinc/19/57/05/1020195705.db2.gz AEZFGQTUHKQSAZ-UWVAXJGDSA-N 2 0 315.505 3.708 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165427 1020199685 /nfs/dbraw/zinc/19/96/85/1020199685.db2.gz JPBNZMHOBVJION-UXHICEINSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@H]1CCC[C@H](C)C1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165282 1020200488 /nfs/dbraw/zinc/20/04/88/1020200488.db2.gz HYRYCDOKRZFVDT-IRXDYDNUSA-N 2 0 315.505 3.708 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)cc1F ZINC000390576280 1020210122 /nfs/dbraw/zinc/21/01/22/1020210122.db2.gz WKBLFRMYNVEIPG-IBGZPJMESA-N 2 0 312.432 3.888 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1(C)C ZINC000765805458 1020262582 /nfs/dbraw/zinc/26/25/82/1020262582.db2.gz CNDYMYXFMOGWGI-RBUKOAKNSA-N 2 0 322.537 3.823 20 0 DHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1OC1CC1 ZINC000347732036 1020266412 /nfs/dbraw/zinc/26/64/12/1020266412.db2.gz ANRJMNGTTCNQNY-KRWDZBQOSA-N 2 0 302.462 3.534 20 0 DHADRP c1cn(-c2csc(C[NH2+][C@@H]3CCSC4(CCC4)C3)c2)cn1 ZINC000922844162 1020301456 /nfs/dbraw/zinc/30/14/56/1020301456.db2.gz AITXEVGMXQGLDU-CYBMUJFWSA-N 2 0 319.499 3.842 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000922847267 1020307883 /nfs/dbraw/zinc/30/78/83/1020307883.db2.gz YTJNBNGPKMAWHH-JLAWEPINSA-N 2 0 320.521 3.865 20 0 DHADRP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC000658355845 1020323259 /nfs/dbraw/zinc/32/32/59/1020323259.db2.gz LDUWIDDDPBLWFC-FQEVSTJZSA-N 2 0 316.464 3.988 20 0 DHADRP C[N@@H+]1CCCC[C@@H](CNCc2csc(-c3ccsc3)n2)C1 ZINC000623656462 1020340945 /nfs/dbraw/zinc/34/09/45/1020340945.db2.gz UURQBVHABKZYDT-ZDUSSCGKSA-N 2 0 321.515 3.693 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000658357957 1020352525 /nfs/dbraw/zinc/35/25/25/1020352525.db2.gz SGBGHCKSAIZQNU-LJQANCHMSA-N 2 0 304.453 3.988 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000132608241 1020388176 /nfs/dbraw/zinc/38/81/76/1020388176.db2.gz CZAFKZYQOARJKQ-XHBSWPGZSA-N 2 0 315.288 3.854 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccccc1OCc1ccccc1 ZINC000390772175 1020395234 /nfs/dbraw/zinc/39/52/34/1020395234.db2.gz KGPDTCXXXGYVCW-APWZRJJASA-N 2 0 310.441 3.577 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000282280982 1020399378 /nfs/dbraw/zinc/39/93/78/1020399378.db2.gz RRZIOKKSEMSLRI-PMACEKPBSA-N 2 0 318.505 3.822 20 0 DHADRP C(CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)CCC[NH+]1CCCC1 ZINC000921686610 1020444988 /nfs/dbraw/zinc/44/49/88/1020444988.db2.gz LTHFPYUOEYZGTB-HSALFYBXSA-N 2 0 322.537 3.828 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)cc2C)c1 ZINC000921687068 1020449393 /nfs/dbraw/zinc/44/93/93/1020449393.db2.gz WLVRSROUUDVZFD-UHFFFAOYSA-N 2 0 312.457 3.745 20 0 DHADRP C[NH+](C)CC(C)(C)CNc1ccc(C2(C(F)(F)F)CC2)cn1 ZINC001168766746 1020455921 /nfs/dbraw/zinc/45/59/21/1020455921.db2.gz SAFZEEBXNBHRPT-UHFFFAOYSA-N 2 0 315.383 3.675 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000347933575 1020456254 /nfs/dbraw/zinc/45/62/54/1020456254.db2.gz DXCKVBOGGIFXFZ-MRXNPFEDSA-N 2 0 318.530 3.904 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000155933025 1020497118 /nfs/dbraw/zinc/49/71/18/1020497118.db2.gz MSHFJMRGPVAPAT-INIZCTEOSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474713744 1020524015 /nfs/dbraw/zinc/52/40/15/1020524015.db2.gz MHOYRJSTWDYJDE-LRVUVFPRSA-N 2 0 306.416 3.675 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177722410 1020540216 /nfs/dbraw/zinc/54/02/16/1020540216.db2.gz GEBJPHSQKBAOTH-HNNXBMFYSA-N 2 0 314.395 3.522 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000474888959 1020561674 /nfs/dbraw/zinc/56/16/74/1020561674.db2.gz QIVYZVSXVXRKJV-NFOMZHRRSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@@H]([NH2+]C1CC(CF)(CF)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657968750 1020596934 /nfs/dbraw/zinc/59/69/34/1020596934.db2.gz YJEJQHDOINHPJS-WBVHZDCISA-N 2 0 322.443 3.574 20 0 DHADRP Fc1ccc(CC[NH2+]C[C@@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000685844907 1020810682 /nfs/dbraw/zinc/81/06/82/1020810682.db2.gz GBZMOGKCPHKYEQ-INIZCTEOSA-N 2 0 310.844 3.628 20 0 DHADRP CC1(C)C[C@H](NCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171964002 1032933948 /nfs/dbraw/zinc/93/39/48/1032933948.db2.gz JQYVPTXMSPNBIH-LJQANCHMSA-N 2 0 309.457 3.614 20 0 DHADRP CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000766224897 1020843096 /nfs/dbraw/zinc/84/30/96/1020843096.db2.gz NASLHDHJVMHPCM-UWWQBHOKSA-N 2 0 322.518 3.562 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414072394 1020848385 /nfs/dbraw/zinc/84/83/85/1020848385.db2.gz MMKDIBVWQYNPHT-UWWQBHOKSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001172883875 1033458393 /nfs/dbraw/zinc/45/83/93/1033458393.db2.gz VHOXFHMZRRVVIE-CQSZACIVSA-N 2 0 324.921 3.896 20 0 DHADRP C[C@H]([NH3+])c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967310 1032937913 /nfs/dbraw/zinc/93/79/13/1032937913.db2.gz YYRBHWQWHOCQIN-RDJZCZTQSA-N 2 0 312.461 3.519 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000414169280 1020957903 /nfs/dbraw/zinc/95/79/03/1020957903.db2.gz BAMSPSQNDFWIEK-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCS2 ZINC000414169403 1020958550 /nfs/dbraw/zinc/95/85/50/1020958550.db2.gz BBJFAQCIQUTNIZ-YOEHRIQHSA-N 2 0 320.502 3.554 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccsc2S1 ZINC000414178581 1020964409 /nfs/dbraw/zinc/96/44/09/1020964409.db2.gz KSCYVKFYBVMAMR-KCQAQPDRSA-N 2 0 310.532 3.995 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1F ZINC000171126672 1020974497 /nfs/dbraw/zinc/97/44/97/1020974497.db2.gz YOQZGWXJXODLKG-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]CC[C@@H]3CCC[N@H+](C)C3)oc21 ZINC000414194188 1020982373 /nfs/dbraw/zinc/98/23/73/1020982373.db2.gz ULVPCBNULFRUJN-CABCVRRESA-N 2 0 316.445 3.824 20 0 DHADRP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000414231593 1021017722 /nfs/dbraw/zinc/01/77/22/1021017722.db2.gz HJGPSEQCKINLKP-DNVCBOLYSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccoc1 ZINC000742373927 1021114687 /nfs/dbraw/zinc/11/46/87/1021114687.db2.gz VMSILAFFKOKPEB-UHFFFAOYSA-N 2 0 310.397 3.794 20 0 DHADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1C(F)(F)F ZINC000414400694 1021202037 /nfs/dbraw/zinc/20/20/37/1021202037.db2.gz VFSKPKWUBHXXBM-UKRRQHHQSA-N 2 0 314.395 3.928 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251496913 1021230665 /nfs/dbraw/zinc/23/06/65/1021230665.db2.gz KCZVPSFPMRDSSZ-OUCADQQQSA-N 2 0 300.368 3.826 20 0 DHADRP C[N@H+](CCCSCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000090550403 1021231924 /nfs/dbraw/zinc/23/19/24/1021231924.db2.gz YLNUYWJRXVZKHI-GOSISDBHSA-N 2 0 306.519 3.584 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@]2(C)CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977651 1032967714 /nfs/dbraw/zinc/96/77/14/1032967714.db2.gz SYVWTMSXAUDBCE-UYAOXDASSA-N 2 0 316.489 3.588 20 0 DHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000338913625 1021295440 /nfs/dbraw/zinc/29/54/40/1021295440.db2.gz WYRKCOLZFRHQKK-UHFFFAOYSA-N 2 0 315.505 3.821 20 0 DHADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2)c1 ZINC000337408535 1032974437 /nfs/dbraw/zinc/97/44/37/1032974437.db2.gz VOCFWYMGIOFIDX-VQIMIIECSA-N 2 0 313.489 3.714 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCN2CCCCC2)CC1)CC(C)C ZINC000537994276 1032972047 /nfs/dbraw/zinc/97/20/47/1032972047.db2.gz CAVQRQBLJZUXQH-UHFFFAOYSA-N 2 0 323.569 3.552 20 0 DHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2)c1 ZINC000337408521 1032974149 /nfs/dbraw/zinc/97/41/49/1032974149.db2.gz VOCFWYMGIOFIDX-APWZRJJASA-N 2 0 313.489 3.714 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000166149436 1021388329 /nfs/dbraw/zinc/38/83/29/1021388329.db2.gz JEYPXAAJMKUYFQ-RBUKOAKNSA-N 2 0 320.521 3.721 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]Cc1cc2ccncc2s1 ZINC000850077541 1021413263 /nfs/dbraw/zinc/41/32/63/1021413263.db2.gz OHBJWFDCENCHJL-UHFFFAOYSA-N 2 0 305.491 3.898 20 0 DHADRP c1csc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000008731141 1021417501 /nfs/dbraw/zinc/41/75/01/1021417501.db2.gz OKLWZAVQNCFBNL-UHFFFAOYSA-N 2 0 300.471 3.545 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@@H]2C2CC2)C3)cc1 ZINC001172080043 1032980942 /nfs/dbraw/zinc/98/09/42/1032980942.db2.gz SJZNGURELBFDNL-FDKIHUSFSA-N 2 0 310.485 3.960 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069377604 1021475558 /nfs/dbraw/zinc/47/55/58/1021475558.db2.gz XVWAOORPVISIPO-HUUCEWRRSA-N 2 0 306.416 3.819 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000538059170 1032982945 /nfs/dbraw/zinc/98/29/45/1032982945.db2.gz NTVIBXNHXDDEEG-DNVCBOLYSA-N 2 0 304.453 3.988 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121823 1021504775 /nfs/dbraw/zinc/50/47/75/1021504775.db2.gz DMVCFXJECYQMRS-VQTJNVASSA-N 2 0 318.505 3.549 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850420418 1021521563 /nfs/dbraw/zinc/52/15/63/1021521563.db2.gz OLSUEBCCSYUUNJ-HZPDHXFCSA-N 2 0 318.427 3.819 20 0 DHADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000850431021 1021528666 /nfs/dbraw/zinc/52/86/66/1021528666.db2.gz RVIRYWKPEDVDOO-KRWDZBQOSA-N 2 0 310.551 3.906 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850433796 1021530929 /nfs/dbraw/zinc/53/09/29/1021530929.db2.gz QMUALWJLSOTFLZ-DLBZAZTESA-N 2 0 316.489 3.783 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)CCCO2 ZINC000850440385 1021534267 /nfs/dbraw/zinc/53/42/67/1021534267.db2.gz WZYPPHSYAWHHEG-QGTPRVQTSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc2c(c1)CCCO2 ZINC000850473677 1021555139 /nfs/dbraw/zinc/55/51/39/1021555139.db2.gz GEHLSLWAGVUTOJ-CQSZACIVSA-N 2 0 307.397 3.510 20 0 DHADRP CSCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062983 1032989072 /nfs/dbraw/zinc/98/90/72/1032989072.db2.gz UZXGJXPBASXRRK-REPLKXPHSA-N 2 0 318.530 3.915 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])C13CC4CC(CC(C4)C1)C3)C2 ZINC001172100243 1032989322 /nfs/dbraw/zinc/98/93/22/1032989322.db2.gz BZDPTDRNBWMYLC-JEFCFZOGSA-N 2 0 315.505 3.785 20 0 DHADRP c1nc([C@H]2CCC[N@@H+](CCC3CCCC3)C2)n2c1CCCC2 ZINC000337428870 1032989580 /nfs/dbraw/zinc/98/95/80/1032989580.db2.gz DDWXCKMGLONPKZ-KRWDZBQOSA-N 2 0 301.478 3.979 20 0 DHADRP F[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063590 1032990486 /nfs/dbraw/zinc/99/04/86/1032990486.db2.gz BZDPWRIHPKSTJC-CCQCEHTISA-N 2 0 316.464 3.910 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000556177843 1021591719 /nfs/dbraw/zinc/59/17/19/1021591719.db2.gz OQWJJGZUIOUTSL-PVAVHDDUSA-N 2 0 308.416 3.847 20 0 DHADRP Brc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643058132 1021611401 /nfs/dbraw/zinc/61/14/01/1021611401.db2.gz FQFAMWBWMDBTIQ-CJNGLKHVSA-N 2 0 323.278 3.586 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cccc(F)c1)C2 ZINC001172126670 1032992861 /nfs/dbraw/zinc/99/28/61/1032992861.db2.gz XXFMHIGPOLSKCB-RDGPPVDQSA-N 2 0 302.437 3.978 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125845692 1033000306 /nfs/dbraw/zinc/00/03/06/1033000306.db2.gz WFXWNFRPWOSFEL-IAGOWNOFSA-N 2 0 304.478 3.856 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125845855 1033000366 /nfs/dbraw/zinc/00/03/66/1033000366.db2.gz WFXWNFRPWOSFEL-DLBZAZTESA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000926862204 1021678315 /nfs/dbraw/zinc/67/83/15/1021678315.db2.gz WJODKSSMJQXPSE-QAPCUYQASA-N 2 0 302.462 3.501 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(C[NH3+])c3cc(Cl)ccc31)C2 ZINC001172105805 1033006206 /nfs/dbraw/zinc/00/62/06/1033006206.db2.gz KNRLEZJTVOOZPH-MUJYYYPQSA-N 2 0 317.864 3.941 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1cc(F)cc3F)C2 ZINC001172104927 1033006521 /nfs/dbraw/zinc/00/65/21/1033006521.db2.gz FAZGUUWBUHKIRK-FLTUCWPJSA-N 2 0 306.400 3.557 20 0 DHADRP Cc1ccc2c(CC[NH3+])cn([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2c1 ZINC001172104367 1033002604 /nfs/dbraw/zinc/00/26/04/1033002604.db2.gz FEEPPPZWVKKMBJ-BCDXTJNWSA-N 2 0 311.473 3.639 20 0 DHADRP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109533 1033009160 /nfs/dbraw/zinc/00/91/60/1033009160.db2.gz DYIZKAAZVWIHHV-YCEIQTCASA-N 3 0 321.553 3.620 20 0 DHADRP C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1cnn(C2CCCC2)c1 ZINC000337460172 1033009267 /nfs/dbraw/zinc/00/92/67/1033009267.db2.gz KDCOPKWNEMMNBD-MRXNPFEDSA-N 2 0 318.509 3.771 20 0 DHADRP c1cc2cnccc2c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000183421361 1021850148 /nfs/dbraw/zinc/85/01/48/1021850148.db2.gz WCMQNPVMEHFEMN-NQIIRXRSSA-N 2 0 321.468 3.684 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109195 1033013201 /nfs/dbraw/zinc/01/32/01/1033013201.db2.gz HSXHCHUZTUSOKS-VUHPKUFZSA-N 2 0 313.489 3.610 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(OC(C)C)c1 ZINC000556868954 1021911764 /nfs/dbraw/zinc/91/17/64/1021911764.db2.gz YWTJXFLKBDBUFQ-QRVBRYPASA-N 2 0 316.489 3.745 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000556872484 1021914501 /nfs/dbraw/zinc/91/45/01/1021914501.db2.gz XTLNIPTVYJFLIM-VNQPRFMTSA-N 2 0 312.379 3.668 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@H]21 ZINC000556880760 1021921941 /nfs/dbraw/zinc/92/19/41/1021921941.db2.gz SMZZPMUQNJJISF-XGXHKWSGSA-N 2 0 302.437 3.666 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1C ZINC000556879432 1021924212 /nfs/dbraw/zinc/92/42/12/1021924212.db2.gz UCTVDQBGXILRIE-QRVBRYPASA-N 2 0 316.489 3.535 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933380 1021955794 /nfs/dbraw/zinc/95/57/94/1021955794.db2.gz CICLSEXXUXWPPH-VQIMIIECSA-N 2 0 304.453 3.565 20 0 DHADRP CC(C)COc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000556932693 1021957363 /nfs/dbraw/zinc/95/73/63/1021957363.db2.gz FDMWYGJLPROPNF-FQEVSTJZSA-N 2 0 316.489 3.639 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638480831 1022010259 /nfs/dbraw/zinc/01/02/59/1022010259.db2.gz ARENSZYMRNGTBD-ZWKOTPCHSA-N 2 0 308.510 3.602 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CC[C@H](OC)C2)CC1)CC(C)C ZINC000851892639 1022031153 /nfs/dbraw/zinc/03/11/53/1022031153.db2.gz PKJQJKJOHALIMF-MOPGFXCFSA-N 2 0 310.526 3.634 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000195133691 1022041051 /nfs/dbraw/zinc/04/10/51/1022041051.db2.gz SQCKCYXSBSVQRB-DYESRHJHSA-N 2 0 324.443 3.925 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172185674 1033028077 /nfs/dbraw/zinc/02/80/77/1033028077.db2.gz UIDXRUWTOGSGEH-RDJZCZTQSA-N 2 0 304.503 3.558 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924660359 1033024188 /nfs/dbraw/zinc/02/41/88/1033024188.db2.gz YEGXWBKSLSFYMR-PBPGXSGUSA-N 2 0 316.489 3.574 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000925519130 1022099512 /nfs/dbraw/zinc/09/95/12/1022099512.db2.gz HNJJEZOTOUOGNG-PKOBYXMFSA-N 2 0 321.553 3.527 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172185669 1033029031 /nfs/dbraw/zinc/02/90/31/1033029031.db2.gz UIDXRUWTOGSGEH-DOTOQJQBSA-N 2 0 304.503 3.558 20 0 DHADRP CCCCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000766451928 1022120784 /nfs/dbraw/zinc/12/07/84/1022120784.db2.gz PJCUILOEBRDPQM-IRXDYDNUSA-N 2 0 310.526 3.823 20 0 DHADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000766451926 1022120810 /nfs/dbraw/zinc/12/08/10/1022120810.db2.gz PJCUILOEBRDPQM-DLBZAZTESA-N 2 0 310.526 3.823 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(CC)CC ZINC000766488847 1022124410 /nfs/dbraw/zinc/12/44/10/1022124410.db2.gz OWTPCVCNGCZPCL-RTBURBONSA-N 2 0 322.537 3.967 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(CC)CC ZINC000766488836 1022125318 /nfs/dbraw/zinc/12/53/18/1022125318.db2.gz OWTPCVCNGCZPCL-MOPGFXCFSA-N 2 0 322.537 3.967 20 0 DHADRP Clc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166666203 1022137323 /nfs/dbraw/zinc/13/73/23/1022137323.db2.gz QWZIWEIUVLPPJA-IAGOWNOFSA-N 2 0 304.865 3.588 20 0 DHADRP Fc1ccc(C2([NH2+]Cc3cccc4c3CC[NH2+]C4)CCC2)cc1 ZINC000852746778 1022171604 /nfs/dbraw/zinc/17/16/04/1022171604.db2.gz STWKEOAGNLZNPA-UHFFFAOYSA-N 2 0 310.416 3.640 20 0 DHADRP CC[C@H](CSc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893180873 1022176412 /nfs/dbraw/zinc/17/64/12/1022176412.db2.gz JPDZKGOUECFTDF-MGNMYUMUSA-N 2 0 304.503 3.772 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000414200406 1022193434 /nfs/dbraw/zinc/19/34/34/1022193434.db2.gz XUNGBFRLARYEMX-CZUORRHYSA-N 2 0 308.466 3.684 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000414200403 1022193877 /nfs/dbraw/zinc/19/38/77/1022193877.db2.gz XUNGBFRLARYEMX-BBRMVZONSA-N 2 0 308.466 3.684 20 0 DHADRP COc1c(C)cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1C ZINC000853093680 1022219940 /nfs/dbraw/zinc/21/99/40/1022219940.db2.gz QKJBLRZJNKSHFH-GOSISDBHSA-N 2 0 316.489 3.524 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCCNc2ccccn2)ccc1F ZINC000153550361 1022221462 /nfs/dbraw/zinc/22/14/62/1022221462.db2.gz IMPKMMPUKIPOBG-AWEZNQCLSA-N 2 0 317.408 3.772 20 0 DHADRP COCCCC1(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000893202124 1022225461 /nfs/dbraw/zinc/22/54/61/1022225461.db2.gz ZOGRVHXRSZDPAQ-GOSISDBHSA-N 2 0 310.526 3.541 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1c(Cl)cccc1Cl)C2 ZINC001169096439 1022244934 /nfs/dbraw/zinc/24/49/34/1022244934.db2.gz WQASHBFEGABDBC-XYYAHUGASA-N 2 0 313.272 3.751 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001169085923 1022252131 /nfs/dbraw/zinc/25/21/31/1022252131.db2.gz PXMCEMWKGLSSTF-UXHICEINSA-N 2 0 300.490 3.671 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001169085925 1022253253 /nfs/dbraw/zinc/25/32/53/1022253253.db2.gz PXMCEMWKGLSSTF-WOJBJXKFSA-N 2 0 300.490 3.671 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3cccc(F)c3)CCC1)C2 ZINC001169118541 1022258962 /nfs/dbraw/zinc/25/89/62/1022258962.db2.gz JVIGKTIJHIWWJM-LDLYASANSA-N 2 0 316.464 3.753 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CC3CC3)CCC(F)(F)CC1)C2 ZINC001169109363 1022266117 /nfs/dbraw/zinc/26/61/17/1022266117.db2.gz BFMJXMVFHRTINC-MUJYYYPQSA-N 2 0 312.448 3.949 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C2 ZINC001169106840 1022267572 /nfs/dbraw/zinc/26/75/72/1022267572.db2.gz AJYCFKQFTGBYKT-HOUMAXQBSA-N 2 0 304.400 3.570 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1[C@@H]1CCCC[NH2+]1)C2 ZINC001169148463 1022280392 /nfs/dbraw/zinc/28/03/92/1022280392.db2.gz ZLPMFQMFNWCCOB-DFGXFYAUSA-N 2 0 324.472 3.649 20 0 DHADRP CC(C)([NH3+])c1ccccc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169154865 1022285918 /nfs/dbraw/zinc/28/59/18/1022285918.db2.gz ZAIVSHJSDSBXMM-KUHUBIRLSA-N 2 0 303.494 3.836 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(C)c(C(F)(F)F)c2)CC1 ZINC001169230943 1022315821 /nfs/dbraw/zinc/31/58/21/1022315821.db2.gz PBXXATREPQIHKV-UHFFFAOYSA-N 2 0 300.368 3.588 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000660008161 1022339670 /nfs/dbraw/zinc/33/96/70/1022339670.db2.gz UHMFMRMECHWQJN-KRWDZBQOSA-N 2 0 315.505 3.745 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000268761591 1022376129 /nfs/dbraw/zinc/37/61/29/1022376129.db2.gz HOUXNGOGSYAVQJ-SZMVWBNQSA-N 2 0 302.462 3.753 20 0 DHADRP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001279183694 1033049647 /nfs/dbraw/zinc/04/96/47/1033049647.db2.gz IYDDBPYEMDEXKD-UHFFFAOYSA-N 2 0 314.473 3.623 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000268899306 1022385848 /nfs/dbraw/zinc/38/58/48/1022385848.db2.gz OHPFPJLEMUGJGZ-SCTDSRPQSA-N 2 0 318.505 3.833 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CCCC[NH+](C)C)ccc2c1 ZINC000268997138 1022392166 /nfs/dbraw/zinc/39/21/66/1022392166.db2.gz KTJQIKPTDHACJH-HNNXBMFYSA-N 2 0 300.446 3.841 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1SC ZINC000269079449 1022394151 /nfs/dbraw/zinc/39/41/51/1022394151.db2.gz OCJPLFFQDYPCEI-NUEKZKHPSA-N 2 0 322.518 3.941 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)[C@H](C)C1 ZINC000155400696 1022399084 /nfs/dbraw/zinc/39/90/84/1022399084.db2.gz XAGPONSYGJHOEL-PBHICJAKSA-N 2 0 306.881 3.692 20 0 DHADRP c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CS2 ZINC001172195976 1033055091 /nfs/dbraw/zinc/05/50/91/1033055091.db2.gz CPRGOXNXRWNSAC-QGZVFWFLSA-N 2 0 316.514 3.700 20 0 DHADRP CCC[NH+]1CCC(NCc2cccc(COC(C)(C)C)c2)CC1 ZINC000155898059 1022425608 /nfs/dbraw/zinc/42/56/08/1022425608.db2.gz UTBPLMVVJTYCPY-UHFFFAOYSA-N 2 0 318.505 3.966 20 0 DHADRP c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)CS2 ZINC001172195732 1033055622 /nfs/dbraw/zinc/05/56/22/1033055622.db2.gz BHRXXNDXSNQOFH-KRWDZBQOSA-N 2 0 316.514 3.558 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172197889 1033056129 /nfs/dbraw/zinc/05/61/29/1033056129.db2.gz NXQLZMROKJXVBQ-KRWDZBQOSA-N 2 0 318.530 3.804 20 0 DHADRP CC[N@H+](CCCc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408371 1022470148 /nfs/dbraw/zinc/47/01/48/1022470148.db2.gz OZYFHQJEAKPGMG-CQSZACIVSA-N 2 0 315.288 3.857 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000271895562 1022486621 /nfs/dbraw/zinc/48/66/21/1022486621.db2.gz UCADECMYJSUCFF-FQEVSTJZSA-N 2 0 310.416 3.767 20 0 DHADRP C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272175964 1022495027 /nfs/dbraw/zinc/49/50/27/1022495027.db2.gz JBNBCYRTMUIOLI-MAUKXSAKSA-N 2 0 300.471 3.748 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC001172246552 1033064976 /nfs/dbraw/zinc/06/49/76/1033064976.db2.gz NHSYXYBOSWCGCK-LJQANCHMSA-N 2 0 322.468 3.613 20 0 DHADRP C[C@H]1C[N@H+](Cc2csc(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206024370 1022589331 /nfs/dbraw/zinc/58/93/31/1022589331.db2.gz IXKRCYSIHRHLPZ-JQWIXIFHSA-N 2 0 306.397 3.574 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000158212132 1022615243 /nfs/dbraw/zinc/61/52/43/1022615243.db2.gz HHAQVXGJAZNWJM-DZGCQCFKSA-N 2 0 312.404 3.671 20 0 DHADRP COCCC[NH+]1CCC([NH2+]CCC2CCCCCCC2)CC1 ZINC001172247190 1033067685 /nfs/dbraw/zinc/06/76/85/1033067685.db2.gz JEMPWSANBLJTGV-UHFFFAOYSA-N 2 0 310.526 3.828 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C)cc1C ZINC001172249756 1033069569 /nfs/dbraw/zinc/06/95/69/1033069569.db2.gz LGMIUGHJCROAAP-HXUWFJFHSA-N 2 0 318.505 3.845 20 0 DHADRP Cc1ccccc1SC[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000859140203 1033079604 /nfs/dbraw/zinc/07/96/04/1033079604.db2.gz LGKBHUXYUFXTNW-DOTOQJQBSA-N 2 0 306.519 3.607 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000159233715 1022879484 /nfs/dbraw/zinc/87/94/84/1022879484.db2.gz UNHQWQBZRJKFLZ-INIZCTEOSA-N 2 0 322.468 3.594 20 0 DHADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768095062 1022880717 /nfs/dbraw/zinc/88/07/17/1022880717.db2.gz ZPTJTDXCRGHFEB-QFBILLFUSA-N 2 0 316.489 3.784 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000119955877 1022902277 /nfs/dbraw/zinc/90/22/77/1022902277.db2.gz AANYHKAVQXBHIR-JKSUJKDBSA-N 2 0 320.477 3.619 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000119955749 1022902806 /nfs/dbraw/zinc/90/28/06/1022902806.db2.gz AANYHKAVQXBHIR-HZPDHXFCSA-N 2 0 320.477 3.619 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000414926235 1022922024 /nfs/dbraw/zinc/92/20/24/1022922024.db2.gz NBFVELXTATWWBO-UONOGXRCSA-N 2 0 320.383 3.801 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000925646953 1022942227 /nfs/dbraw/zinc/94/22/27/1022942227.db2.gz YLWOHNHBIOWROO-SFHVURJKSA-N 2 0 304.384 3.577 20 0 DHADRP Cc1cnc([C@H](C)C[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000925648708 1022948803 /nfs/dbraw/zinc/94/88/03/1022948803.db2.gz WZZQDRGPMQPCJZ-CZUORRHYSA-N 2 0 303.475 3.625 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000165301194 1022975955 /nfs/dbraw/zinc/97/59/55/1022975955.db2.gz MFPMQPIEVIPUMG-SJLPKXTDSA-N 2 0 314.498 3.963 20 0 DHADRP FC(F)C1CC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000768686688 1023012125 /nfs/dbraw/zinc/01/21/25/1023012125.db2.gz OBLAOJFWJFIPGO-UYSNPLJNSA-N 2 0 300.437 3.664 20 0 DHADRP COCCC[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccc(Cl)cc1 ZINC000925664954 1023029436 /nfs/dbraw/zinc/02/94/36/1023029436.db2.gz HTIIJZWLZAZKAJ-WBVHZDCISA-N 2 0 324.896 3.580 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)nc1 ZINC000651492449 1023039990 /nfs/dbraw/zinc/03/99/90/1023039990.db2.gz HQGOCVFKCMFTOE-FQEVSTJZSA-N 2 0 323.484 3.575 20 0 DHADRP CC[NH+](CC)Cc1cncc(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001167754320 1023049373 /nfs/dbraw/zinc/04/93/73/1023049373.db2.gz WDJWJUYPHVAYMU-QGZVFWFLSA-N 2 0 318.509 3.600 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249978017 1023066358 /nfs/dbraw/zinc/06/63/58/1023066358.db2.gz YHLALKJDDVPFLL-SXLOBPIMSA-N 2 0 300.490 3.770 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2ccccc2F)cc1 ZINC000769029637 1023070626 /nfs/dbraw/zinc/07/06/26/1023070626.db2.gz MOIMWPKDAWOILG-UHFFFAOYSA-N 2 0 300.421 3.562 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c2ccccc2O1 ZINC000925679900 1023095428 /nfs/dbraw/zinc/09/54/28/1023095428.db2.gz NHQUMKVAFCCPTL-DQEVTTJGSA-N 2 0 314.473 3.657 20 0 DHADRP C([C@@H]1CCC2(CCCCC2)O1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000364383181 1023105677 /nfs/dbraw/zinc/10/56/77/1023105677.db2.gz HZPSSKOSXDXHMR-IBGZPJMESA-N 2 0 320.521 3.865 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C[C@H]1C ZINC001172372798 1033105528 /nfs/dbraw/zinc/10/55/28/1033105528.db2.gz IZZWFZOVYPCYBF-ZJPYXAASSA-N 2 0 322.537 3.823 20 0 DHADRP CCCCCC[C@@H](CCC)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172377922 1033111779 /nfs/dbraw/zinc/11/17/79/1033111779.db2.gz FOIJROMWLNOHIA-GOSISDBHSA-N 2 0 311.558 3.741 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000194920206 1023198897 /nfs/dbraw/zinc/19/88/97/1023198897.db2.gz TWAVYXYBZAWBML-GOSISDBHSA-N 2 0 316.489 3.925 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172340442 1033122738 /nfs/dbraw/zinc/12/27/38/1033122738.db2.gz KAQPQBLGBMMVSO-GBESFXJTSA-N 2 0 310.526 3.921 20 0 DHADRP Cc1ccccc1SC[C@H](C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000859314453 1033124053 /nfs/dbraw/zinc/12/40/53/1033124053.db2.gz MHYJFNHQTOUONU-APWZRJJASA-N 2 0 318.530 3.751 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1c(Cl)ccc2cccnc21)C1CC1 ZINC000651599760 1023377843 /nfs/dbraw/zinc/37/78/43/1023377843.db2.gz KMZZNOSQSOWKRA-UHFFFAOYSA-N 2 0 317.864 3.852 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172349351 1033131804 /nfs/dbraw/zinc/13/18/04/1033131804.db2.gz LSLBVAYNZYGXLP-CEXWTWQISA-N 2 0 322.537 3.990 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925722518 1023486435 /nfs/dbraw/zinc/48/64/35/1023486435.db2.gz LRKAQHCZQUMDGD-HXUWFJFHSA-N 3 0 317.521 3.567 20 0 DHADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000651758704 1023521705 /nfs/dbraw/zinc/52/17/05/1023521705.db2.gz KZHGMTLVEXGAGG-BBWFWOEESA-N 2 0 310.526 3.680 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+]CC1(C[NH2+][C@@H](C)C(C)(C)CC)COC1 ZINC000661231940 1023531958 /nfs/dbraw/zinc/53/19/58/1023531958.db2.gz SJRJBNHWZPWLAH-HOTGVXAUSA-N 2 0 312.542 3.832 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(C)C)cc2)[C@@H](C)C1 ZINC000538717199 1033142413 /nfs/dbraw/zinc/14/24/13/1033142413.db2.gz JUCDSNGARLPGBO-FXAWDEMLSA-N 2 0 318.505 3.884 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CC2(c3ccccc3F)CCC2)CC1 ZINC000651864207 1023600321 /nfs/dbraw/zinc/60/03/21/1023600321.db2.gz LKRXHVNGDAWKKH-UHFFFAOYSA-N 2 0 304.453 3.710 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000651865064 1023603720 /nfs/dbraw/zinc/60/37/20/1023603720.db2.gz MNIDNBVHDDLQBN-MJGOQNOKSA-N 2 0 303.494 3.675 20 0 DHADRP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)c1 ZINC001172371532 1033151868 /nfs/dbraw/zinc/15/18/68/1033151868.db2.gz UYOFMDWDUYPONU-JFIYKMOQSA-N 2 0 316.489 3.770 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)C[C@H]1C ZINC001172371891 1033152169 /nfs/dbraw/zinc/15/21/69/1033152169.db2.gz VQSOMLUNUHSVRX-HLIPFELVSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@H](CC[N@@H+]1CCC[C@H](CCF)C1)[NH+]1CCC[C@@H](CCF)C1 ZINC000661690251 1023688374 /nfs/dbraw/zinc/68/83/74/1023688374.db2.gz KTKWRGRNJNWMNB-KURKYZTESA-N 2 0 316.480 3.908 20 0 DHADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000652241284 1023711966 /nfs/dbraw/zinc/71/19/66/1023711966.db2.gz BYOACNSMRKPYSL-PBWTXFEYSA-N 2 0 315.505 3.706 20 0 DHADRP CCOCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC001172417941 1033162080 /nfs/dbraw/zinc/16/20/80/1033162080.db2.gz XRCNMJCKAFBFBC-KRWDZBQOSA-N 2 0 310.526 3.683 20 0 DHADRP Cc1ccc(-c2ccnc(NCc3ccc(N)nc3C)c2)cc1 ZINC001167784814 1023804423 /nfs/dbraw/zinc/80/44/23/1023804423.db2.gz DHQIQWPCXZOTBV-UHFFFAOYSA-N 2 0 304.397 3.955 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000164614529 1023809577 /nfs/dbraw/zinc/80/95/77/1023809577.db2.gz DFLIAKBMXXMVEQ-MRXNPFEDSA-N 2 0 301.459 3.798 20 0 DHADRP C[NH+]1CCC(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000788478355 1023892090 /nfs/dbraw/zinc/89/20/90/1023892090.db2.gz HVXLYHJBLMSFBG-QFIPXVFZSA-N 2 0 320.480 3.976 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788525461 1023905449 /nfs/dbraw/zinc/90/54/49/1023905449.db2.gz DOCMKEAEXSBNFE-MRXNPFEDSA-N 2 0 321.896 3.824 20 0 DHADRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC001170088697 1023927425 /nfs/dbraw/zinc/92/74/25/1023927425.db2.gz YCJHICADSVOAOH-IEBWSBKVSA-N 2 0 310.526 3.776 20 0 DHADRP CCCCC[C@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000662153256 1023930790 /nfs/dbraw/zinc/93/07/90/1023930790.db2.gz CDWXOHITAJBQJZ-FQEVSTJZSA-N 2 0 323.569 3.837 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1N(C)C ZINC000538757950 1033174027 /nfs/dbraw/zinc/17/40/27/1033174027.db2.gz PWEBZSYXOICSHE-SFHVURJKSA-N 2 0 317.521 3.915 20 0 DHADRP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662249167 1024030120 /nfs/dbraw/zinc/03/01/20/1024030120.db2.gz RKLIWVVPGBVDNY-FQEVSTJZSA-N 2 0 310.416 3.809 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001172399732 1033183095 /nfs/dbraw/zinc/18/30/95/1033183095.db2.gz LKQGQMKZPQJSFI-SFHVURJKSA-N 2 0 318.505 3.856 20 0 DHADRP C[N@H+](CCSc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662265268 1024043313 /nfs/dbraw/zinc/04/33/13/1024043313.db2.gz OVFPNQYTJVULLN-YIONKMFJSA-N 2 0 310.894 3.647 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000925761000 1024049506 /nfs/dbraw/zinc/04/95/06/1024049506.db2.gz WQJKSNWDNWHBBS-IRXDYDNUSA-N 2 0 301.478 3.620 20 0 DHADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H](CC)CC(C)C)CC1 ZINC001172399343 1033183986 /nfs/dbraw/zinc/18/39/86/1033183986.db2.gz CBGSYYHWFWQETL-IBGZPJMESA-N 2 0 311.558 3.551 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1Cl ZINC000662280097 1024056615 /nfs/dbraw/zinc/05/66/15/1024056615.db2.gz CIWOPTLTKYXQLK-GFCCVEGCSA-N 2 0 318.823 3.976 20 0 DHADRP CSC(C)(C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000876920059 1033184351 /nfs/dbraw/zinc/18/43/51/1033184351.db2.gz FMQDPQKBJPBHBG-UHFFFAOYSA-N 2 0 320.546 3.815 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1Cl ZINC000662284004 1024064625 /nfs/dbraw/zinc/06/46/25/1024064625.db2.gz WPJDOHUJLKHAJQ-ZDUSSCGKSA-N 2 0 300.833 3.837 20 0 DHADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291587 1024073976 /nfs/dbraw/zinc/07/39/76/1024073976.db2.gz ISADZBFPYKAJCO-UKRRQHHQSA-N 2 0 308.416 3.737 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796558 1033180666 /nfs/dbraw/zinc/18/06/66/1033180666.db2.gz LGRYYXYUMPHBKW-PBHICJAKSA-N 2 0 300.471 3.817 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1F ZINC000662301867 1024087502 /nfs/dbraw/zinc/08/75/02/1024087502.db2.gz HMOCJOPWDULKOG-HXUWFJFHSA-N 2 0 312.432 3.958 20 0 DHADRP COc1ccc([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cc1F ZINC000662306820 1024092647 /nfs/dbraw/zinc/09/26/47/1024092647.db2.gz TYGCUWQSGMIRHB-GOSISDBHSA-N 2 0 320.452 3.751 20 0 DHADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325616 1024107673 /nfs/dbraw/zinc/10/76/73/1024107673.db2.gz NVZCGVXWRWUUKP-FXAWDEMLSA-N 2 0 318.505 3.914 20 0 DHADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318702 1024108321 /nfs/dbraw/zinc/10/83/21/1024108321.db2.gz DTJPRNFQOFMMHU-DZGCQCFKSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc(Cl)c1N ZINC000876933655 1033186373 /nfs/dbraw/zinc/18/63/73/1033186373.db2.gz VWACJEHWCIZYMV-AWEZNQCLSA-N 2 0 309.885 3.666 20 0 DHADRP CC(C)COCC[C@@H](C)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172471539 1033189390 /nfs/dbraw/zinc/18/93/90/1033189390.db2.gz LJZQXETWGXJWOF-ZHALLVOQSA-N 2 0 310.526 3.952 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001170120468 1024170511 /nfs/dbraw/zinc/17/05/11/1024170511.db2.gz HLOZYEUZFVHQED-RHSMWYFYSA-N 2 0 306.881 3.864 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663343925 1024172671 /nfs/dbraw/zinc/17/26/71/1024172671.db2.gz KAUJNSKAAWYNGI-DUXHTMCSSA-N 2 0 320.427 3.690 20 0 DHADRP c1c2ccncc2sc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343846 1024172809 /nfs/dbraw/zinc/17/28/09/1024172809.db2.gz GXBSRSKRJQKQBA-OAHLLOKOSA-N 2 0 315.486 3.508 20 0 DHADRP Cc1nccn1CC[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000268847600 1024176855 /nfs/dbraw/zinc/17/68/55/1024176855.db2.gz XLMLXWXTIYTTMV-NSHDSACASA-N 2 0 311.401 3.857 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1 ZINC000268875742 1024183881 /nfs/dbraw/zinc/18/38/81/1024183881.db2.gz VJYMTXKBLWXAKD-UHFFFAOYSA-N 2 0 304.478 3.576 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC000268874003 1024185093 /nfs/dbraw/zinc/18/50/93/1024185093.db2.gz DJVMRADKXIQBGT-GOSISDBHSA-N 2 0 302.462 3.537 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268883358 1024187532 /nfs/dbraw/zinc/18/75/32/1024187532.db2.gz FPCJJOPAYJURAY-OAHLLOKOSA-N 2 0 316.367 3.504 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000269011341 1024221466 /nfs/dbraw/zinc/22/14/66/1024221466.db2.gz NNCTUROFUQMIDM-INIZCTEOSA-N 2 0 324.472 3.540 20 0 DHADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000131075473 1024253984 /nfs/dbraw/zinc/25/39/84/1024253984.db2.gz MTEINSPPBISOGN-GOSISDBHSA-N 2 0 304.503 3.658 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000531685448 1024271745 /nfs/dbraw/zinc/27/17/45/1024271745.db2.gz OVSUAAUYWHEIJG-IEBWSBKVSA-N 2 0 300.490 3.818 20 0 DHADRP Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC001170132845 1024273217 /nfs/dbraw/zinc/27/32/17/1024273217.db2.gz OGXBMBIDXGRRIX-WBVHZDCISA-N 2 0 309.457 3.854 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714612 1024280538 /nfs/dbraw/zinc/28/05/38/1024280538.db2.gz BQEDPQUAOIQMLM-DLBZAZTESA-N 2 0 309.457 3.741 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531731407 1024285810 /nfs/dbraw/zinc/28/58/10/1024285810.db2.gz CMOXZZAENMSXPM-HRAATJIYSA-N 2 0 312.501 3.923 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccncn1 ZINC000453064588 1024296631 /nfs/dbraw/zinc/29/66/31/1024296631.db2.gz TYFXADRJIPQOLP-DLBZAZTESA-N 2 0 324.472 3.702 20 0 DHADRP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000883233803 1024308713 /nfs/dbraw/zinc/30/87/13/1024308713.db2.gz PPOQAZIZOAVLRP-APWZRJJASA-N 2 0 322.537 3.682 20 0 DHADRP CO[C@H]1C[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000883272674 1024343052 /nfs/dbraw/zinc/34/30/52/1024343052.db2.gz SPWGZNQBUSYIEK-JCNLHEQBSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)OCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172446940 1033204285 /nfs/dbraw/zinc/20/42/85/1033204285.db2.gz NWLNWOWYZNSKCR-QGZVFWFLSA-N 2 0 308.510 3.530 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000453146912 1024350739 /nfs/dbraw/zinc/35/07/39/1024350739.db2.gz JDJRNXGRNPVHHD-MRXNPFEDSA-N 2 0 303.494 3.645 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2s1 ZINC000925775200 1024384566 /nfs/dbraw/zinc/38/45/66/1024384566.db2.gz DQRJAAUXVARNMK-AAEUAGOBSA-N 2 0 310.413 3.797 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2s1 ZINC000925775202 1024388078 /nfs/dbraw/zinc/38/80/78/1024388078.db2.gz DQRJAAUXVARNMK-DGCLKSJQSA-N 2 0 310.413 3.797 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccncc1 ZINC000453194142 1024392125 /nfs/dbraw/zinc/39/21/25/1024392125.db2.gz GOPYNGNWHGFGEA-IEZWGBDMSA-N 2 0 301.478 3.775 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCOCc2ccccc2)C1 ZINC000877019993 1033208141 /nfs/dbraw/zinc/20/81/41/1033208141.db2.gz IQMAPVCSRBNVQH-UYAOXDASSA-N 2 0 318.505 3.692 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@@H]1CCCOC1 ZINC000883351646 1024397132 /nfs/dbraw/zinc/39/71/32/1024397132.db2.gz JVBNESNCIZRZNI-KVPLUYHFSA-N 2 0 322.537 3.824 20 0 DHADRP Fc1ccc(C2CC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663467412 1024405092 /nfs/dbraw/zinc/40/50/92/1024405092.db2.gz FPIWMKAVVNNYBV-PPDQVPDSSA-N 2 0 316.464 3.783 20 0 DHADRP c1c[nH]c(C2CC[NH+](CCCSCc3ccccc3)CC2)n1 ZINC000270575987 1024405853 /nfs/dbraw/zinc/40/58/53/1024405853.db2.gz PIFFOUKTYPANQY-UHFFFAOYSA-N 2 0 315.486 3.913 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467913 1024408029 /nfs/dbraw/zinc/40/80/29/1024408029.db2.gz ILFHQXBFEWDZOS-APWZRJJASA-N 2 0 318.480 3.858 20 0 DHADRP COC1(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000790973553 1024420061 /nfs/dbraw/zinc/42/00/61/1024420061.db2.gz NULGCGKFPXESJN-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663469924 1024422651 /nfs/dbraw/zinc/42/26/51/1024422651.db2.gz RRGXWWQDROTOGU-ZBFHGGJFSA-N 2 0 320.452 3.607 20 0 DHADRP FCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453250537 1024424751 /nfs/dbraw/zinc/42/47/51/1024424751.db2.gz ZKYSMXAWZGYNHS-OTWHNJEPSA-N 2 0 304.453 3.769 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663470524 1024425091 /nfs/dbraw/zinc/42/50/91/1024425091.db2.gz UUIZHLWOKHNYQK-LPHOPBHVSA-N 2 0 304.453 3.988 20 0 DHADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000883424444 1024433721 /nfs/dbraw/zinc/43/37/21/1024433721.db2.gz SIZQOKNNQPGLNP-WOJBJXKFSA-N 2 0 316.489 3.618 20 0 DHADRP CCC[N@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883423979 1024434010 /nfs/dbraw/zinc/43/40/10/1024434010.db2.gz AQYKSHJIFPDKJE-UXHICEINSA-N 2 0 316.489 3.761 20 0 DHADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000166002751 1024445234 /nfs/dbraw/zinc/44/52/34/1024445234.db2.gz UDWTXXAGUCEVNR-YQVWRLOYSA-N 2 0 318.505 3.867 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000453293754 1024445452 /nfs/dbraw/zinc/44/54/52/1024445452.db2.gz PAWUBTIHCXQBGR-CTWPCTMYSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)OCC[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172457949 1033213410 /nfs/dbraw/zinc/21/34/10/1033213410.db2.gz XATHXXVGZWLBJE-UYAOXDASSA-N 2 0 318.505 3.644 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+]3CCC[C@]4(CCOC4)C3)CC2)C1 ZINC000453346491 1024474525 /nfs/dbraw/zinc/47/45/25/1024474525.db2.gz FLLXTBZOUBHOSR-HOJAQTOUSA-N 2 0 320.521 3.532 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+]3CCC[C@]4(CCOC4)C3)CC2)C1 ZINC000453346496 1024474894 /nfs/dbraw/zinc/47/48/94/1024474894.db2.gz FLLXTBZOUBHOSR-RLLQIKCJSA-N 2 0 320.521 3.532 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCc1ccccc1OC ZINC001167824022 1024475471 /nfs/dbraw/zinc/47/54/71/1024475471.db2.gz AZWNFJKCVQPHGP-KRWDZBQOSA-N 2 0 306.494 3.680 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000453366660 1024488645 /nfs/dbraw/zinc/48/86/45/1024488645.db2.gz MEHZVMXVRLEJMY-RLLQIKCJSA-N 2 0 320.521 3.532 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC001167826009 1024496402 /nfs/dbraw/zinc/49/64/02/1024496402.db2.gz LZIFBMWXARSCHY-INIZCTEOSA-N 2 0 322.493 3.646 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C3)cc1 ZINC000453379182 1024497944 /nfs/dbraw/zinc/49/79/44/1024497944.db2.gz WQKAYDKRZOCXJG-FCMAGTKHSA-N 2 0 310.485 3.818 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000538879455 1033215355 /nfs/dbraw/zinc/21/53/55/1033215355.db2.gz VMYTUTVJAUSRKX-QXAKKESOSA-N 2 0 310.526 3.560 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000453400414 1024499096 /nfs/dbraw/zinc/49/90/96/1024499096.db2.gz MBPTYJYCOVDFEZ-QUCCMNQESA-N 2 0 300.490 3.862 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC001167826570 1024501196 /nfs/dbraw/zinc/50/11/96/1024501196.db2.gz QIKCDENWBXCXOK-QGZVFWFLSA-N 2 0 303.494 3.772 20 0 DHADRP C[C@H]([NH2+]CCC1CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453404651 1024501140 /nfs/dbraw/zinc/50/11/40/1024501140.db2.gz DPWDYLLFJFLOQB-YJBOKZPZSA-N 2 0 322.443 3.922 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453405295 1024501843 /nfs/dbraw/zinc/50/18/43/1024501843.db2.gz QHTXXTPYKHLBQS-ROUUACIJSA-N 2 0 315.505 3.880 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453405297 1024501938 /nfs/dbraw/zinc/50/19/38/1024501938.db2.gz QHTXXTPYKHLBQS-ZWKOTPCHSA-N 2 0 315.505 3.880 20 0 DHADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(F)cn1 ZINC000271430788 1024503592 /nfs/dbraw/zinc/50/35/92/1024503592.db2.gz WHRBHGVPEBMUOQ-MRXNPFEDSA-N 2 0 307.457 3.918 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001167827438 1024510937 /nfs/dbraw/zinc/51/09/37/1024510937.db2.gz WBCMBMRNIADPRR-ICSRJNTNSA-N 2 0 318.505 3.788 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453395356 1024512020 /nfs/dbraw/zinc/51/20/20/1024512020.db2.gz HWNKMAHBOSCHON-MRXNPFEDSA-N 2 0 304.478 3.999 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001167827516 1024513027 /nfs/dbraw/zinc/51/30/27/1024513027.db2.gz XBEHIXFFEIMKHH-MJGOQNOKSA-N 2 0 303.494 3.599 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000453397764 1024513118 /nfs/dbraw/zinc/51/31/18/1024513118.db2.gz JWVBXFLKEKOSJY-RTBURBONSA-N 2 0 304.453 3.926 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCCCC2 ZINC000453420125 1024518050 /nfs/dbraw/zinc/51/80/50/1024518050.db2.gz ZEZSWBNCIVWMOY-QZTJIDSGSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccccc1C(F)(F)F)C1CC1 ZINC000453595101 1024539108 /nfs/dbraw/zinc/53/91/08/1024539108.db2.gz DCXMMFUURJYHNB-UHFFFAOYSA-N 2 0 300.368 3.669 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000453590825 1024544815 /nfs/dbraw/zinc/54/48/15/1024544815.db2.gz BRQUXVPABWGUIR-UHFFFAOYSA-N 2 0 317.864 3.852 20 0 DHADRP COc1ccc2cc(C[NH2+]CCCC[N@H+](C)C3CC3)ccc2c1 ZINC000453607066 1024551439 /nfs/dbraw/zinc/55/14/39/1024551439.db2.gz XEWIXMYIALDBCN-UHFFFAOYSA-N 2 0 312.457 3.812 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000453604298 1024551486 /nfs/dbraw/zinc/55/14/86/1024551486.db2.gz YYUAQWGICFVLRE-UHFFFAOYSA-N 2 0 315.486 3.774 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1csc(-c2ccccc2)n1 ZINC000925792326 1024559479 /nfs/dbraw/zinc/55/94/79/1024559479.db2.gz FTKAZFXRVFBZDM-IJEWVQPXSA-N 2 0 315.486 3.706 20 0 DHADRP Cc1ccc(C)c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000532215252 1024576538 /nfs/dbraw/zinc/57/65/38/1024576538.db2.gz IFIYZHVPKSUZHG-GOSISDBHSA-N 2 0 316.489 3.599 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000532224974 1024579127 /nfs/dbraw/zinc/57/91/27/1024579127.db2.gz IRIAJHHTSNOGNI-CLPROHDKSA-N 2 0 300.490 3.890 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000532235525 1024586969 /nfs/dbraw/zinc/58/69/69/1024586969.db2.gz UGJCRKAPRCRTJQ-FRQCXROJSA-N 2 0 302.506 3.845 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3[nH]ccc3c2)c1 ZINC000655729892 1024605647 /nfs/dbraw/zinc/60/56/47/1024605647.db2.gz PBBRDPGIBDRKQD-UHFFFAOYSA-N 2 0 307.441 3.909 20 0 DHADRP COc1cc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)ccc1C ZINC000194201236 1024617067 /nfs/dbraw/zinc/61/70/67/1024617067.db2.gz VMSQBMVIYHFTRE-UHFFFAOYSA-N 2 0 321.424 3.538 20 0 DHADRP C[N@H+](Cc1cccc(-c2ccncc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869681 1024637241 /nfs/dbraw/zinc/63/72/41/1024637241.db2.gz ODPWSJLNTPZLQW-WCRBZPEASA-N 2 0 321.468 3.806 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000648436966 1024639101 /nfs/dbraw/zinc/63/91/01/1024639101.db2.gz DISKMXFSVKPDSM-OALUTQOASA-N 2 0 304.478 3.574 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000648438903 1024644863 /nfs/dbraw/zinc/64/48/63/1024644863.db2.gz OKPUUOMZZZJVON-IAGOWNOFSA-N 2 0 322.518 3.507 20 0 DHADRP CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000166978312 1024668310 /nfs/dbraw/zinc/66/83/10/1024668310.db2.gz BVAAYWISAJOJJQ-AWEZNQCLSA-N 2 0 324.428 3.836 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCOC(C)(C)C)CC1)CC1CC1 ZINC000538948098 1033228666 /nfs/dbraw/zinc/22/86/66/1033228666.db2.gz FBORKYQQPSJALQ-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666084870 1024677339 /nfs/dbraw/zinc/67/73/39/1024677339.db2.gz OLTOTSNHBZEPMM-GOEBONIOSA-N 2 0 306.881 3.519 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666084872 1024677776 /nfs/dbraw/zinc/67/77/76/1024677776.db2.gz OLTOTSNHBZEPMM-ZBFHGGJFSA-N 2 0 306.881 3.519 20 0 DHADRP c1ccc2oc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)nc2c1 ZINC000877076389 1033229514 /nfs/dbraw/zinc/22/95/14/1033229514.db2.gz MBAZRKIXTXRCSP-UHFFFAOYSA-N 2 0 313.445 3.715 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666126281 1024713165 /nfs/dbraw/zinc/71/31/65/1024713165.db2.gz HEGBKAQWPRSHHN-OAHLLOKOSA-N 2 0 306.881 3.519 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000350515665 1024824519 /nfs/dbraw/zinc/82/45/19/1024824519.db2.gz TUWZSNKCXYKPHF-CTNGQTDRSA-N 2 0 323.484 3.562 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000925825607 1024857118 /nfs/dbraw/zinc/85/71/18/1024857118.db2.gz ARASZOZLZUTJKT-STQMWFEESA-N 2 0 301.409 3.708 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000319924753 1024896494 /nfs/dbraw/zinc/89/64/94/1024896494.db2.gz JQGLGPHQLXVBDB-KXBFYZLASA-N 2 0 304.478 3.870 20 0 DHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@H]2C1 ZINC001172549986 1033244525 /nfs/dbraw/zinc/24/45/25/1033244525.db2.gz SAEYBMLNPYELHZ-XRXFAXGQSA-N 2 0 312.501 3.986 20 0 DHADRP CSC1(C[NH2+]Cc2csc3ccccc23)CC[NH+](C)CC1 ZINC000353178699 1024978538 /nfs/dbraw/zinc/97/85/38/1024978538.db2.gz AVJLJXBSEIWDDW-UHFFFAOYSA-N 2 0 320.527 3.818 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000648482661 1025001587 /nfs/dbraw/zinc/00/15/87/1025001587.db2.gz FHLCAQWPKLWQCQ-QAPCUYQASA-N 2 0 322.443 3.859 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000187399116 1025009244 /nfs/dbraw/zinc/00/92/44/1025009244.db2.gz YHLALKJDDVPFLL-DFQSSKMNSA-N 2 0 300.490 3.770 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CS1 ZINC000666417844 1025043056 /nfs/dbraw/zinc/04/30/56/1025043056.db2.gz VYZKORALGMREAA-QAPCUYQASA-N 2 0 304.503 3.656 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CS1 ZINC000666417842 1025044906 /nfs/dbraw/zinc/04/49/06/1025044906.db2.gz VYZKORALGMREAA-CRAIPNDOSA-N 2 0 304.503 3.656 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000353398629 1025055176 /nfs/dbraw/zinc/05/51/76/1025055176.db2.gz ATTTZYHNHUIJQT-UHFFFAOYSA-N 2 0 324.468 3.925 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000121244462 1025081829 /nfs/dbraw/zinc/08/18/29/1025081829.db2.gz XEFHKRHROKOGHM-CYBMUJFWSA-N 2 0 306.479 3.902 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@H](C)C1 ZINC000539045333 1033262533 /nfs/dbraw/zinc/26/25/33/1033262533.db2.gz KHGHHVNNFWNLNZ-MJGOQNOKSA-N 2 0 324.553 3.929 20 0 DHADRP COCCCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000348327969 1025182926 /nfs/dbraw/zinc/18/29/26/1025182926.db2.gz UQQBKXHZCALVQA-RBUKOAKNSA-N 2 0 304.478 3.618 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279724978 1025185555 /nfs/dbraw/zinc/18/55/55/1025185555.db2.gz MSKFDWMXUUBKHK-QFBILLFUSA-N 2 0 304.478 3.617 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655751389 1025198294 /nfs/dbraw/zinc/19/82/94/1025198294.db2.gz BLKSMHQQCUYYGC-RWQQGDIJSA-N 2 0 318.530 3.771 20 0 DHADRP CC[NH+](CC)CCCC1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663787868 1025228312 /nfs/dbraw/zinc/22/83/12/1025228312.db2.gz UAZFXRMYXPNROY-UHFFFAOYSA-N 2 0 314.477 3.901 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)ccc1SC ZINC000925844515 1025252375 /nfs/dbraw/zinc/25/23/75/1025252375.db2.gz TWAJDEZVBCRANM-FSPWUOQZSA-N 2 0 320.502 3.600 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)Cc2ccnc3ccccc23)CC1 ZINC001204090617 1033271263 /nfs/dbraw/zinc/27/12/63/1033271263.db2.gz OZSUCNCLERXSCA-UHFFFAOYSA-N 2 0 311.473 3.931 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2cccc3c2CC[C@H]3[NH3+])CC1(C)C ZINC001170452757 1025311001 /nfs/dbraw/zinc/31/10/01/1025311001.db2.gz BSKITGODSUQLIL-MRXNPFEDSA-N 2 0 301.478 3.696 20 0 DHADRP C[C@H]1C[C@@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000666638427 1025328140 /nfs/dbraw/zinc/32/81/40/1025328140.db2.gz OCUGVYLCKPPZCX-KBPBESRZSA-N 2 0 308.416 3.532 20 0 DHADRP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCS2 ZINC000925857724 1025333067 /nfs/dbraw/zinc/33/30/67/1025333067.db2.gz IALJBDGOCPPWMB-NXOAAHMSSA-N 2 0 308.535 3.705 20 0 DHADRP CCCC[C@H](CC)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000438095966 1025371017 /nfs/dbraw/zinc/37/10/17/1025371017.db2.gz IHZQLCJDCNUQHB-PMACEKPBSA-N 2 0 323.569 3.695 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC000354168452 1025373044 /nfs/dbraw/zinc/37/30/44/1025373044.db2.gz XXHGRJLGWUYHGS-OAQYLSRUSA-N 2 0 321.468 3.666 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354207262 1025381675 /nfs/dbraw/zinc/38/16/75/1025381675.db2.gz LPGOLHAEUDQLDV-RDJZCZTQSA-N 2 0 313.445 3.646 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000718759714 1025407727 /nfs/dbraw/zinc/40/77/27/1025407727.db2.gz GVPSSEJULSWKAI-DFQSSKMNSA-N 2 0 318.505 3.834 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(C)(C)C ZINC000885990637 1025429066 /nfs/dbraw/zinc/42/90/66/1025429066.db2.gz MHXYIYRCVUVJMM-DLBZAZTESA-N 2 0 310.526 3.824 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000925881713 1025430813 /nfs/dbraw/zinc/43/08/13/1025430813.db2.gz KUBUCULEQHLUSA-YSHGAJCASA-N 2 0 304.453 3.554 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000886012718 1025439291 /nfs/dbraw/zinc/43/92/91/1025439291.db2.gz NLPSNCQROGQTFI-MOPGFXCFSA-N 2 0 310.526 3.682 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@H]2CCOC3(CCCCC3)C2)CCCC1 ZINC000886061944 1025460477 /nfs/dbraw/zinc/46/04/77/1025460477.db2.gz CKXZEPWVOYDEGS-KRWDZBQOSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCOC2(CCCCC2)C1)C[NH+]1CCCC1 ZINC000886089388 1025467938 /nfs/dbraw/zinc/46/79/38/1025467938.db2.gz AKWVBUJXQKVBGU-KRWDZBQOSA-N 2 0 308.510 3.580 20 0 DHADRP C(=C/C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)\C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000125391881 1025470547 /nfs/dbraw/zinc/47/05/47/1025470547.db2.gz SIOIDDLIPIIKAN-RHZFVVMASA-N 2 0 324.472 3.873 20 0 DHADRP CO[C@](C)(C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000643338923 1025476451 /nfs/dbraw/zinc/47/64/51/1025476451.db2.gz DWLQRNVNEFMYHK-HXUWFJFHSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127664 1025520237 /nfs/dbraw/zinc/52/02/37/1025520237.db2.gz PFHLXSQZMYKKAD-IAGOWNOFSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+](Cc1cc2ccnc(Cl)c2s1)CC1CC[NH+](C)CC1 ZINC000894002081 1025648627 /nfs/dbraw/zinc/64/86/27/1025648627.db2.gz MAZBZQRQKCQYJA-UHFFFAOYSA-N 2 0 323.893 3.723 20 0 DHADRP CCN(C)c1ccc(Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC001212809944 1025658436 /nfs/dbraw/zinc/65/84/36/1025658436.db2.gz QRDDSYDEGPTIEB-UHFFFAOYSA-N 2 0 313.445 3.827 20 0 DHADRP COCCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000355277101 1025663304 /nfs/dbraw/zinc/66/33/04/1025663304.db2.gz CUFMSNUYTQLSSU-ZCNNSNEGSA-N 2 0 316.489 3.761 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000886532797 1025681402 /nfs/dbraw/zinc/68/14/02/1025681402.db2.gz PAPXTSBANJPCQT-VVJOJPPRSA-N 2 0 320.521 3.577 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(CCO)CCCCC2)CC1 ZINC000886537299 1025686528 /nfs/dbraw/zinc/68/65/28/1025686528.db2.gz YAJQZHDFVBQLAN-UHFFFAOYSA-N 2 0 322.537 3.706 20 0 DHADRP Cc1noc(C)c1CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886539135 1025688350 /nfs/dbraw/zinc/68/83/50/1025688350.db2.gz UTRKCFVYHDLWIA-UHFFFAOYSA-N 2 0 319.493 3.611 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000359872581 1025725037 /nfs/dbraw/zinc/72/50/37/1025725037.db2.gz PFYFFRYPWZODLW-NVXWUHKLSA-N 2 0 321.534 3.708 20 0 DHADRP CCCc1nc(C)c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000886614140 1025741169 /nfs/dbraw/zinc/74/11/69/1025741169.db2.gz NZUYVQONFNJSMW-UHFFFAOYSA-N 2 0 319.493 3.822 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000886627214 1025747069 /nfs/dbraw/zinc/74/70/69/1025747069.db2.gz WBZDBZRPZBCSQN-SYYJFZTOSA-N 2 0 314.473 3.645 20 0 DHADRP CO[C@](C)([C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886624845 1025747336 /nfs/dbraw/zinc/74/73/36/1025747336.db2.gz BGUIRWRLFVPTME-JYPHPWERSA-N 2 0 308.510 3.577 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000886628064 1025751097 /nfs/dbraw/zinc/75/10/97/1025751097.db2.gz DYZCCRRRWHYQMJ-WWDZGPRUSA-N 2 0 322.562 3.906 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000886628063 1025751175 /nfs/dbraw/zinc/75/11/75/1025751175.db2.gz DYZCCRRRWHYQMJ-AOCRQIFASA-N 2 0 322.562 3.906 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000133010562 1025762146 /nfs/dbraw/zinc/76/21/46/1025762146.db2.gz MBVCQWHACXWIHL-XLIONFOSSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806131761 1025775332 /nfs/dbraw/zinc/77/53/32/1025775332.db2.gz MRYKEZUGHRHOPX-HOCLYGCPSA-N 2 0 321.896 3.824 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806132555 1025778943 /nfs/dbraw/zinc/77/89/43/1025778943.db2.gz XOCHLVUZDLUOFX-MRXNPFEDSA-N 2 0 321.896 3.824 20 0 DHADRP C[C@@H]1C[NH+](CCCC[N@@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000575790263 1025794054 /nfs/dbraw/zinc/79/40/54/1025794054.db2.gz VVCJUALVBYAEQQ-ZIAGYGMSSA-N 2 0 324.406 3.721 20 0 DHADRP CCSCC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000355733380 1025824731 /nfs/dbraw/zinc/82/47/31/1025824731.db2.gz KQAMWLWAQZOODI-MRXNPFEDSA-N 2 0 306.519 3.761 20 0 DHADRP CCCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(OC)cc1 ZINC000647784182 1025928060 /nfs/dbraw/zinc/92/80/60/1025928060.db2.gz LNLAWPVDPGSJTF-MLYOOKFZSA-N 2 0 316.489 3.904 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(O)c1 ZINC000194881779 1025980471 /nfs/dbraw/zinc/98/04/71/1025980471.db2.gz SPOHWSQGJOUMEG-PKOBYXMFSA-N 2 0 324.468 3.607 20 0 DHADRP COc1ccc([C@@H](CNc2cc[nH+]cc2C)[NH+]2CCCC2)cc1 ZINC000195332762 1026009023 /nfs/dbraw/zinc/00/90/23/1026009023.db2.gz VIYWSURTHIEXFK-LJQANCHMSA-N 2 0 311.429 3.648 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000093742132 1026124450 /nfs/dbraw/zinc/12/44/50/1026124450.db2.gz FYYGDDRNOMBAQA-LJQANCHMSA-N 2 0 323.484 3.912 20 0 DHADRP CSC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245766613 1026203477 /nfs/dbraw/zinc/20/34/77/1026203477.db2.gz WMFGMMUJQZEASN-BCDXTJNWSA-N 2 0 318.530 3.913 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000356887496 1026211763 /nfs/dbraw/zinc/21/17/63/1026211763.db2.gz YNWLAYZAUZVDPU-MRXNPFEDSA-N 2 0 320.440 3.740 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1O ZINC000289996988 1026273460 /nfs/dbraw/zinc/27/34/60/1026273460.db2.gz YSNBNEUAMCBJGY-JKSUJKDBSA-N 2 0 320.477 3.706 20 0 DHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000576399670 1026280840 /nfs/dbraw/zinc/28/08/40/1026280840.db2.gz OBYCNXUXAZXBRN-QWHCGFSZSA-N 2 0 304.821 3.769 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCC[C@H](C)C2)CC1 ZINC000357023310 1026281936 /nfs/dbraw/zinc/28/19/36/1026281936.db2.gz VUHLGCOXXDBZCE-ROUUACIJSA-N 2 0 310.526 3.636 20 0 DHADRP COCCCC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000419391772 1026351014 /nfs/dbraw/zinc/35/10/14/1026351014.db2.gz RGARGWGPEHDVKE-UHFFFAOYSA-N 2 0 304.478 3.531 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000513488288 1026525559 /nfs/dbraw/zinc/52/55/59/1026525559.db2.gz SDWVZFUIDXFDKA-SUMWQHHRSA-N 2 0 308.416 3.806 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cc2)cc1 ZINC000261798074 1026548238 /nfs/dbraw/zinc/54/82/38/1026548238.db2.gz VPDJLLVIKRWGMM-OAQYLSRUSA-N 2 0 324.468 3.745 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000513678117 1026556473 /nfs/dbraw/zinc/55/64/73/1026556473.db2.gz IELJSYWITGFENB-XHSDSOJGSA-N 2 0 324.415 3.559 20 0 DHADRP Cc1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000809703545 1026599621 /nfs/dbraw/zinc/59/96/21/1026599621.db2.gz MDVBXJZRGYDNPR-NRFANRHFSA-N 2 0 324.468 3.994 20 0 DHADRP COc1ccccc1/C=C/C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739117 1026610677 /nfs/dbraw/zinc/61/06/77/1026610677.db2.gz XWKRCMZSAMXMNI-VQHVLOKHSA-N 2 0 324.468 3.902 20 0 DHADRP Clc1cccc(C2=CC[N@H+](CCCn3ccnc3)CC2)c1 ZINC000280299124 1026628156 /nfs/dbraw/zinc/62/81/56/1026628156.db2.gz VNOHLMSVUWSLRY-UHFFFAOYSA-N 2 0 301.821 3.716 20 0 DHADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000647882892 1026636678 /nfs/dbraw/zinc/63/66/78/1026636678.db2.gz MUVAKXGLGDEYAI-UHFFFAOYSA-N 2 0 322.537 3.828 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000280724849 1026701703 /nfs/dbraw/zinc/70/17/03/1026701703.db2.gz CMDLXPZVIIBPGV-FOIQADDNSA-N 2 0 323.484 3.928 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000513707749 1026755203 /nfs/dbraw/zinc/75/52/03/1026755203.db2.gz IIRLWONNXXVGHQ-OTWHNJEPSA-N 2 0 316.489 3.651 20 0 DHADRP Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420182250 1026785285 /nfs/dbraw/zinc/78/52/85/1026785285.db2.gz GEJAUEFXAWKHBJ-IAQYHMDHSA-N 2 0 303.837 3.679 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2csc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000513717185 1026785711 /nfs/dbraw/zinc/78/57/11/1026785711.db2.gz MHWXSAPVMRHZPV-BZSNNMDCSA-N 2 0 314.498 3.906 20 0 DHADRP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420228209 1026787577 /nfs/dbraw/zinc/78/75/77/1026787577.db2.gz KRIGRFZKLLKRCG-MAZHCROVSA-N 2 0 315.848 3.679 20 0 DHADRP Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420218163 1026790256 /nfs/dbraw/zinc/79/02/56/1026790256.db2.gz OZJIRLXKMOXFLY-OLZOCXBDSA-N 2 0 303.837 3.679 20 0 DHADRP Cc1ccc(OC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1C ZINC000420296855 1026795627 /nfs/dbraw/zinc/79/56/27/1026795627.db2.gz CEWAGBQQFZRAKW-GOSISDBHSA-N 2 0 316.489 3.536 20 0 DHADRP Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000420308006 1026801349 /nfs/dbraw/zinc/80/13/49/1026801349.db2.gz CHKLIVSCERIUBK-APWZRJJASA-N 2 0 324.472 3.522 20 0 DHADRP Fc1ccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000420305241 1026801427 /nfs/dbraw/zinc/80/14/27/1026801427.db2.gz PFBCRFWHZSJLKM-KRWDZBQOSA-N 2 0 304.453 3.612 20 0 DHADRP C[C@@H](c1cccc(Br)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420325384 1026802427 /nfs/dbraw/zinc/80/24/27/1026802427.db2.gz BQWVLPRTWJRPLA-ZDUSSCGKSA-N 2 0 323.278 3.586 20 0 DHADRP CC(C)c1ccc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320359 1026804534 /nfs/dbraw/zinc/80/45/34/1026804534.db2.gz BJYFQJUDAVAAJQ-VQIMIIECSA-N 2 0 316.489 3.558 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420328300 1026805980 /nfs/dbraw/zinc/80/59/80/1026805980.db2.gz ZCNPVXVQABZEEM-LPHOPBHVSA-N 2 0 302.462 3.612 20 0 DHADRP Cc1occc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000414452441 1026806782 /nfs/dbraw/zinc/80/67/82/1026806782.db2.gz LCXARALNBFQQIN-WOJBJXKFSA-N 2 0 310.441 3.542 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)CCC2 ZINC000420331003 1026807501 /nfs/dbraw/zinc/80/75/01/1026807501.db2.gz QLOATJJEXFHDNQ-TXPKVOOTSA-N 2 0 302.437 3.525 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CCC2 ZINC000421880755 1027077741 /nfs/dbraw/zinc/07/77/41/1027077741.db2.gz QUDXVQIUGCMUQY-RUXDESIVSA-N 2 0 307.507 3.545 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CC1 ZINC000421887483 1027079922 /nfs/dbraw/zinc/07/99/22/1027079922.db2.gz VXSXQRJFISDZMU-MHJFOBGBSA-N 2 0 300.490 3.779 20 0 DHADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000561955063 1027141623 /nfs/dbraw/zinc/14/16/23/1027141623.db2.gz OVOANQDZNMILJP-QUCCMNQESA-N 2 0 302.506 3.823 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000561956510 1027142326 /nfs/dbraw/zinc/14/23/26/1027142326.db2.gz HRGURFJVPFUQJU-RTBURBONSA-N 2 0 323.569 3.549 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](CCSCc3ccccc3)C2)CC1 ZINC000571842170 1027151694 /nfs/dbraw/zinc/15/16/94/1027151694.db2.gz PKPMXBHEGKITQQ-LJQANCHMSA-N 2 0 318.530 3.584 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271854321 1027164952 /nfs/dbraw/zinc/16/49/52/1027164952.db2.gz IZZSIODGKBTNFF-KGLIPLIRSA-N 2 0 315.486 3.640 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271864812 1027166807 /nfs/dbraw/zinc/16/68/07/1027166807.db2.gz LFVKQFUYHCKPFD-ZDUSSCGKSA-N 2 0 308.853 3.651 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663430 1027190322 /nfs/dbraw/zinc/19/03/22/1027190322.db2.gz BCLIEKLAFINXDV-RHSMWYFYSA-N 2 0 322.443 3.676 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000562047209 1027199994 /nfs/dbraw/zinc/19/99/94/1027199994.db2.gz IIUYJUDZGBRBOK-GBJTYRQASA-N 2 0 306.416 3.675 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170667955 1027209369 /nfs/dbraw/zinc/20/93/69/1027209369.db2.gz DGCOXHNPYQFNBI-KRWDZBQOSA-N 2 0 322.443 3.532 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC[NH+](C)CC1 ZINC000562105083 1027239064 /nfs/dbraw/zinc/23/90/64/1027239064.db2.gz YMDTZUICICVYQR-HNNXBMFYSA-N 2 0 324.509 3.921 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000422563346 1027287228 /nfs/dbraw/zinc/28/72/28/1027287228.db2.gz SQTCCHNLKZEUMG-MDZRGWNJSA-N 2 0 309.457 3.554 20 0 DHADRP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422686870 1027293600 /nfs/dbraw/zinc/29/36/00/1027293600.db2.gz AWKSKIOAVPDEFW-LEWJYISDSA-N 2 0 323.484 3.763 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000422709196 1027297919 /nfs/dbraw/zinc/29/79/19/1027297919.db2.gz DBMPYZGXQPPJNE-ABIUDSBCSA-N 2 0 310.894 3.984 20 0 DHADRP COCC1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000295483220 1027298388 /nfs/dbraw/zinc/29/83/88/1027298388.db2.gz SFLVSEYOQZQKKU-UHFFFAOYSA-N 2 0 316.489 3.577 20 0 DHADRP C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC[NH+]1CCCCC1 ZINC000422711297 1027298500 /nfs/dbraw/zinc/29/85/00/1027298500.db2.gz GWDXWIGKWZVWLZ-VAMGGRTRSA-N 3 0 321.553 3.543 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC000422713208 1027303598 /nfs/dbraw/zinc/30/35/98/1027303598.db2.gz PMDGCJQYLNBYOQ-YJBOKZPZSA-N 2 0 318.461 3.782 20 0 DHADRP COCCSc1ccc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422723173 1027303844 /nfs/dbraw/zinc/30/38/44/1027303844.db2.gz ZSUIZKBQSXLMMI-HPUBIQBYSA-N 2 0 322.518 3.593 20 0 DHADRP COc1ccccc1C1(C[NH2+]C2CCC(C[NH3+])CC2)CCCC1 ZINC000422737678 1027304919 /nfs/dbraw/zinc/30/49/19/1027304919.db2.gz HOPNAEOWLNBSRQ-UHFFFAOYSA-N 2 0 316.489 3.614 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422739189 1027307097 /nfs/dbraw/zinc/30/70/97/1027307097.db2.gz KRLJEGKRKSTNOR-DQEVTTJGSA-N 2 0 304.453 3.830 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422758585 1027307862 /nfs/dbraw/zinc/30/78/62/1027307862.db2.gz KLAYHDQSCJGZCY-QFBILLFUSA-N 2 0 314.498 3.790 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000422739591 1027309741 /nfs/dbraw/zinc/30/97/41/1027309741.db2.gz ADTBAAXEBWWEKS-IAGOWNOFSA-N 2 0 323.550 3.628 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741375 1027310456 /nfs/dbraw/zinc/31/04/56/1027310456.db2.gz DJBSSWIQPRFTER-NBHGPNQESA-N 2 0 322.452 3.902 20 0 DHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422742853 1027310663 /nfs/dbraw/zinc/31/06/63/1027310663.db2.gz QUXDUFSUQRSYSL-YDPGBSGYSA-N 2 0 321.468 3.556 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000422743813 1027311679 /nfs/dbraw/zinc/31/16/79/1027311679.db2.gz RYIFXHAZXSHPJC-LLVKDONJSA-N 2 0 319.449 3.660 20 0 DHADRP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422757114 1027313620 /nfs/dbraw/zinc/31/36/20/1027313620.db2.gz JMHCEZBPVAPOPU-RCCFBDPRSA-N 2 0 322.493 3.818 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCSCc2ccccc2F)c2ccccc21 ZINC000422773661 1027315612 /nfs/dbraw/zinc/31/56/12/1027315612.db2.gz UMCMNMSWFRYCMB-ROUUACIJSA-N 2 0 316.445 3.793 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)c[nH]c21 ZINC000422782740 1027317363 /nfs/dbraw/zinc/31/73/63/1027317363.db2.gz MBCYNDAHFOORPP-CQSZACIVSA-N 2 0 322.456 3.532 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422776939 1027318779 /nfs/dbraw/zinc/31/87/79/1027318779.db2.gz BHHORYLWPXJEPK-LSDHHAIUSA-N 2 0 312.379 3.597 20 0 DHADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c2ccccc12 ZINC000573722321 1027321030 /nfs/dbraw/zinc/32/10/30/1027321030.db2.gz FBIXKCQJOPPZPJ-QGZVFWFLSA-N 2 0 324.468 3.670 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798221 1027322025 /nfs/dbraw/zinc/32/20/25/1027322025.db2.gz QDVVCLBUGQGDAZ-BIENJYKASA-N 2 0 318.411 3.616 20 0 DHADRP Cc1cc2[nH+]ccn2cc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170681004 1027324369 /nfs/dbraw/zinc/32/43/69/1027324369.db2.gz BDZVUZHIBKKKTO-AWEZNQCLSA-N 2 0 317.396 3.515 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422796512 1027324556 /nfs/dbraw/zinc/32/45/56/1027324556.db2.gz JTYBYQZEMUSDPD-CNOZUTPLSA-N 2 0 302.368 3.803 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000422801072 1027328089 /nfs/dbraw/zinc/32/80/89/1027328089.db2.gz BCGZXHSZBJQMFP-SGMGOOAPSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000422828809 1027335813 /nfs/dbraw/zinc/33/58/13/1027335813.db2.gz BJDGJQSTKQQKRG-QWRGUYRKSA-N 2 0 303.277 3.986 20 0 DHADRP [NH3+][C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000422825201 1027336130 /nfs/dbraw/zinc/33/61/30/1027336130.db2.gz PGPQRHXUJXSHNP-VQTJNVASSA-N 2 0 313.489 3.518 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000422840049 1027340201 /nfs/dbraw/zinc/34/02/01/1027340201.db2.gz SACBFVRJIZLLNX-NSHDSACASA-N 2 0 303.277 3.988 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccccc1F ZINC000422848782 1027340707 /nfs/dbraw/zinc/34/07/07/1027340707.db2.gz KKUXLUAFTTVSOI-BEFAXECRSA-N 2 0 314.448 3.651 20 0 DHADRP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422843620 1027345156 /nfs/dbraw/zinc/34/51/56/1027345156.db2.gz IYUYKQXDYAGYLR-SJWGOKEGSA-N 2 0 320.477 3.873 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422889041 1027349877 /nfs/dbraw/zinc/34/98/77/1027349877.db2.gz OQSZIWRBPJHERI-YGRLFVJLSA-N 2 0 301.261 3.512 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000422884419 1027350147 /nfs/dbraw/zinc/35/01/47/1027350147.db2.gz WXMNXPBOJJBTFN-SUNKGSAMSA-N 2 0 301.261 3.814 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422873464 1027352964 /nfs/dbraw/zinc/35/29/64/1027352964.db2.gz ALJCAQSYPIBLHK-MSOLQXFVSA-N 3 0 317.521 3.526 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422892984 1027360397 /nfs/dbraw/zinc/36/03/97/1027360397.db2.gz ZZKCICKZSWSMSM-OXJNMPFZSA-N 2 0 312.457 3.586 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000422922256 1027362006 /nfs/dbraw/zinc/36/20/06/1027362006.db2.gz SIPSWSXQTHQWQV-WVDHAAHHSA-N 2 0 308.425 3.674 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC2CCC(C[NH3+])CC2)cc1 ZINC000422916801 1027362311 /nfs/dbraw/zinc/36/23/11/1027362311.db2.gz FEYJKALNNMICIO-LRYGQEGESA-N 2 0 315.505 3.990 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422923408 1027363573 /nfs/dbraw/zinc/36/35/73/1027363573.db2.gz RXZZEDOEEXZIFO-MBOZVWFJSA-N 2 0 315.505 3.861 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H](C)CCC[NH3+])c2ccccc2)c1 ZINC000422937309 1027364020 /nfs/dbraw/zinc/36/40/20/1027364020.db2.gz JKRKNNGFOLVENB-JXFKEZNVSA-N 2 0 312.457 3.696 20 0 DHADRP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])c2)cc1 ZINC000422929004 1027366066 /nfs/dbraw/zinc/36/60/66/1027366066.db2.gz NWMFYWSFGNOAGT-ORYQWCPZSA-N 2 0 324.468 3.504 20 0 DHADRP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917673 1027368763 /nfs/dbraw/zinc/36/87/63/1027368763.db2.gz FLWXJSKNTIUJND-OLZOCXBDSA-N 2 0 318.383 3.580 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422940917 1027368980 /nfs/dbraw/zinc/36/89/80/1027368980.db2.gz NTTWEYWCZMQSIH-KRWDZBQOSA-N 2 0 312.457 3.873 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422922111 1027373482 /nfs/dbraw/zinc/37/34/82/1027373482.db2.gz RZPWAVZIWUFDDN-JOYOIKCWSA-N 2 0 303.233 3.534 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422946492 1027375754 /nfs/dbraw/zinc/37/57/54/1027375754.db2.gz OXEXLYZYOPJYEZ-BXUZGUMPSA-N 2 0 301.261 3.514 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422947401 1027375853 /nfs/dbraw/zinc/37/58/53/1027375853.db2.gz QMEIGBJRMSYFIZ-OWCLPIDISA-N 2 0 322.518 3.673 20 0 DHADRP CC[C@H]([NH2+]C[C@@H](C)CSc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422945722 1027377215 /nfs/dbraw/zinc/37/72/15/1027377215.db2.gz NUTIDVQIYVLNLU-PMPSAXMXSA-N 2 0 322.518 3.544 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1Cl ZINC000422955458 1027378666 /nfs/dbraw/zinc/37/86/66/1027378666.db2.gz LYOKNBOEYZTYCQ-ACJLOTCBSA-N 2 0 320.839 3.570 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000422956349 1027379195 /nfs/dbraw/zinc/37/91/95/1027379195.db2.gz KVJDYRJZBQKVIY-OXJNMPFZSA-N 2 0 312.457 3.892 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422955591 1027379621 /nfs/dbraw/zinc/37/96/21/1027379621.db2.gz JQTWAKOLYNYCLD-RBUKOAKNSA-N 2 0 310.441 3.923 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000422950169 1027380531 /nfs/dbraw/zinc/38/05/31/1027380531.db2.gz XGBFJOXKHQHFCK-SGTLLEGYSA-N 2 0 315.848 3.840 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CCC(C(C)C)CC1 ZINC000422990237 1027382088 /nfs/dbraw/zinc/38/20/88/1027382088.db2.gz MYIIIKHJYZRKSI-ODIFPOPNSA-N 2 0 303.494 3.962 20 0 DHADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OC ZINC000422993283 1027383531 /nfs/dbraw/zinc/38/35/31/1027383531.db2.gz FFZZQDOVEDYJFQ-MKXGPGLRSA-N 2 0 310.526 3.728 20 0 DHADRP CCCOc1cccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422991644 1027383849 /nfs/dbraw/zinc/38/38/49/1027383849.db2.gz PXEMTECSLZSXEE-VQTJNVASSA-N 2 0 310.441 3.752 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000422993581 1027384259 /nfs/dbraw/zinc/38/42/59/1027384259.db2.gz RPCIQLQWRRPLLR-RBUKOAKNSA-N 2 0 310.416 3.883 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422999193 1027385318 /nfs/dbraw/zinc/38/53/18/1027385318.db2.gz DWUQUVSGAFNNCZ-CABCVRRESA-N 2 0 316.420 3.876 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423002454 1027386938 /nfs/dbraw/zinc/38/69/38/1027386938.db2.gz ZAANNPRCIZDRES-NHYWBVRUSA-N 2 0 300.368 3.600 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000422986094 1027388186 /nfs/dbraw/zinc/38/81/86/1027388186.db2.gz BJYOEHVEXWWQKT-ZWKOTPCHSA-N 2 0 324.896 3.915 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423019364 1027389916 /nfs/dbraw/zinc/38/99/16/1027389916.db2.gz VJSWVEJKQCKSTD-QWRGUYRKSA-N 2 0 321.317 3.942 20 0 DHADRP C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423019319 1027389939 /nfs/dbraw/zinc/38/99/39/1027389939.db2.gz VBSWWRLYGWSZCE-SGIREYDYSA-N 2 0 312.379 3.744 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423015703 1027390303 /nfs/dbraw/zinc/39/03/03/1027390303.db2.gz LFAJQIYBTWQGHP-ZIBATOQPSA-N 2 0 300.368 3.872 20 0 DHADRP CCOc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000562365126 1027391889 /nfs/dbraw/zinc/39/18/89/1027391889.db2.gz OGTQEQIQZFUJSU-UHFFFAOYSA-N 2 0 322.468 3.777 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423008614 1027391898 /nfs/dbraw/zinc/39/18/98/1027391898.db2.gz ARELBFXBFWVDOI-JKSUJKDBSA-N 2 0 310.869 3.531 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423047725 1027392799 /nfs/dbraw/zinc/39/27/99/1027392799.db2.gz VOWBEEHIULQHNZ-OPFPJEHXSA-N 2 0 314.395 3.744 20 0 DHADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cs1 ZINC000423021137 1027392958 /nfs/dbraw/zinc/39/29/58/1027392958.db2.gz DMNWULJEJDHPBY-JKSUJKDBSA-N 2 0 315.486 3.718 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423024132 1027394224 /nfs/dbraw/zinc/39/42/24/1027394224.db2.gz LBMRARBNAYUHHI-CVEARBPZSA-N 2 0 310.844 3.760 20 0 DHADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cs1 ZINC000423021136 1027394538 /nfs/dbraw/zinc/39/45/38/1027394538.db2.gz DMNWULJEJDHPBY-HZPDHXFCSA-N 2 0 315.486 3.718 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)cn(C)c2c1 ZINC000423064240 1027403969 /nfs/dbraw/zinc/40/39/69/1027403969.db2.gz YOTOTVJUTAEXBO-UXHICEINSA-N 2 0 319.452 3.764 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423054617 1027404944 /nfs/dbraw/zinc/40/49/44/1027404944.db2.gz BXHOUZHLOWEJQD-GUDVDZBRSA-N 2 0 318.530 3.950 20 0 DHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423074782 1027407244 /nfs/dbraw/zinc/40/72/44/1027407244.db2.gz VFXMHKNCIPASKZ-JCHJZTRSSA-N 2 0 314.473 3.719 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423072859 1027408095 /nfs/dbraw/zinc/40/80/95/1027408095.db2.gz QEMQYCXIYNQHFJ-NWDGAFQWSA-N 2 0 302.384 3.698 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000295732527 1027410242 /nfs/dbraw/zinc/41/02/42/1027410242.db2.gz OFMDZYJPQQBWOS-MRXNPFEDSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423098634 1027413795 /nfs/dbraw/zinc/41/37/95/1027413795.db2.gz CZYUPKLJEFZXEL-FIXISWKDSA-N 2 0 316.367 3.752 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423093736 1027413879 /nfs/dbraw/zinc/41/38/79/1027413879.db2.gz AFZMDSFYVWDMMF-BRXULGCHSA-N 2 0 313.272 3.956 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098638 1027415316 /nfs/dbraw/zinc/41/53/16/1027415316.db2.gz DAOHEEIWSPHFLV-CVEARBPZSA-N 2 0 305.853 3.544 20 0 DHADRP COCCC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423100370 1027418740 /nfs/dbraw/zinc/41/87/40/1027418740.db2.gz GUJGYMNSCAXMEC-JZXOWHBKSA-N 2 0 324.896 3.567 20 0 DHADRP CC1(C)CCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423129585 1027421348 /nfs/dbraw/zinc/42/13/48/1027421348.db2.gz FMRMWQRVDVOQJJ-OXFYSEKESA-N 2 0 314.473 3.658 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423128567 1027422600 /nfs/dbraw/zinc/42/26/00/1027422600.db2.gz LBEKXDSZNNZFBH-UAGQMJEPSA-N 2 0 310.432 3.750 20 0 DHADRP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)c1cccc(O)c1 ZINC000574763026 1027425814 /nfs/dbraw/zinc/42/58/14/1027425814.db2.gz GNIMDMSWWIPFLR-OAHLLOKOSA-N 2 0 310.441 3.621 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423113676 1027427151 /nfs/dbraw/zinc/42/71/51/1027427151.db2.gz KTQVOXXLOONZCS-ZJIFWQFVSA-N 2 0 300.437 3.712 20 0 DHADRP FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000423111158 1027427615 /nfs/dbraw/zinc/42/76/15/1027427615.db2.gz VZOKRPVDIMGPOC-HZPDHXFCSA-N 2 0 312.379 3.683 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000423111956 1027427891 /nfs/dbraw/zinc/42/78/91/1027427891.db2.gz RJFJTAYCYLQGFA-MELADBBJSA-N 2 0 304.400 3.619 20 0 DHADRP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423144991 1027428444 /nfs/dbraw/zinc/42/84/44/1027428444.db2.gz IPFYFMVTIRNYQU-FDPIWHGQSA-N 2 0 320.427 3.853 20 0 DHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423145020 1027428590 /nfs/dbraw/zinc/42/85/90/1027428590.db2.gz IQVYRMSWQHWNMX-DZJNRPSUSA-N 2 0 316.514 3.776 20 0 DHADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423144993 1027428988 /nfs/dbraw/zinc/42/89/88/1027428988.db2.gz IPFYFMVTIRNYQU-JEDBISTDSA-N 2 0 320.427 3.853 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000423113888 1027429144 /nfs/dbraw/zinc/42/91/44/1027429144.db2.gz UVWXOANRGJKPQS-XHDPSFHLSA-N 2 0 319.276 3.524 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423150628 1027431724 /nfs/dbraw/zinc/43/17/24/1027431724.db2.gz BMUSHRMEJLFITA-SGFLJFKBSA-N 2 0 323.278 3.712 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423135896 1027433908 /nfs/dbraw/zinc/43/39/08/1027433908.db2.gz ONSBMJQXBJIBIF-BMFZPTHFSA-N 2 0 314.395 3.843 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423138393 1027434471 /nfs/dbraw/zinc/43/44/71/1027434471.db2.gz JEZOFXVFIHRATH-FGTMMUONSA-N 2 0 315.505 3.568 20 0 DHADRP Cc1cc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1Cl ZINC000423141685 1027435156 /nfs/dbraw/zinc/43/51/56/1027435156.db2.gz RICBIEBCZXDWAV-HNAYVOBHSA-N 2 0 316.876 3.739 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423175514 1027441058 /nfs/dbraw/zinc/44/10/58/1027441058.db2.gz DUFDDORHTIZZQE-HOTGVXAUSA-N 2 0 308.416 3.636 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423175513 1027441169 /nfs/dbraw/zinc/44/11/69/1027441169.db2.gz DUFDDORHTIZZQE-CVEARBPZSA-N 2 0 308.416 3.636 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000423179949 1027442781 /nfs/dbraw/zinc/44/27/81/1027442781.db2.gz NAKFIQYIJBERTD-QAPCUYQASA-N 2 0 320.452 3.545 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423176461 1027443256 /nfs/dbraw/zinc/44/32/56/1027443256.db2.gz CLNBRGFPCDVXMM-MRXNPFEDSA-N 2 0 310.441 3.668 20 0 DHADRP CC[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])CC(F)(F)F ZINC000423189468 1027448779 /nfs/dbraw/zinc/44/87/79/1027448779.db2.gz REMQOXAYSDRBTP-VNHYZAJKSA-N 2 0 302.384 3.513 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C2CC2)c1 ZINC000423199659 1027452107 /nfs/dbraw/zinc/45/21/07/1027452107.db2.gz KJTVMWVGKYGNFF-LJQANCHMSA-N 2 0 316.489 3.658 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OCC ZINC000423238687 1027455910 /nfs/dbraw/zinc/45/59/10/1027455910.db2.gz AOZHLEYJNXPYFF-WBVHZDCISA-N 2 0 320.477 3.524 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423202547 1027456977 /nfs/dbraw/zinc/45/69/77/1027456977.db2.gz QYVGMIPXLYOPEV-HOTGVXAUSA-N 2 0 304.478 3.829 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246972 1027459171 /nfs/dbraw/zinc/45/91/71/1027459171.db2.gz FGLXVDZLHLZTNG-QWHCGFSZSA-N 2 0 314.445 3.994 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423221898 1027462195 /nfs/dbraw/zinc/46/21/95/1027462195.db2.gz YPOBDRQGKZGATE-XYJFISCASA-N 2 0 304.478 3.904 20 0 DHADRP FC(F)(F)c1cccc(C2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)c1 ZINC000423218196 1027462305 /nfs/dbraw/zinc/46/23/05/1027462305.db2.gz UARAIIWZQMIVRI-VDSRIPIWSA-N 2 0 312.379 3.683 20 0 DHADRP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423219091 1027462601 /nfs/dbraw/zinc/46/26/01/1027462601.db2.gz WBLXDEPKUMJSEN-QFBILLFUSA-N 2 0 304.478 3.762 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423220686 1027462642 /nfs/dbraw/zinc/46/26/42/1027462642.db2.gz YVESWZNXAQRPKH-BBRMVZONSA-N 2 0 314.395 3.992 20 0 DHADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CCC([NH3+])CC1)CC2 ZINC000423230393 1027464613 /nfs/dbraw/zinc/46/46/13/1027464613.db2.gz JEJKZCKNCMHSOH-NRXISQOPSA-N 2 0 323.278 3.604 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423226552 1027466342 /nfs/dbraw/zinc/46/63/42/1027466342.db2.gz RDXZTJLGBBOJBD-CQDKDKBSSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000423229686 1027466350 /nfs/dbraw/zinc/46/63/50/1027466350.db2.gz HQPBJLMPRYATKT-JQRITLKVSA-N 2 0 314.395 3.886 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000423229505 1027466358 /nfs/dbraw/zinc/46/63/58/1027466358.db2.gz HHAVWVFYBOGBDB-PPUFBPAQSA-N 2 0 323.278 3.686 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423245075 1027470595 /nfs/dbraw/zinc/47/05/95/1027470595.db2.gz INALZOLNBWJRGZ-IRXDYDNUSA-N 2 0 304.478 3.762 20 0 DHADRP CC(C)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423249305 1027475560 /nfs/dbraw/zinc/47/55/60/1027475560.db2.gz OPEUGPSWAMFZBY-CZUORRHYSA-N 2 0 314.395 3.992 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423251218 1027475757 /nfs/dbraw/zinc/47/57/57/1027475757.db2.gz RPWACMNDLTUALQ-UKRRQHHQSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1c([C@H](C)N[C@H](C[NH3+])C2CCCCC2)cnn1C(C)(C)C ZINC000423258310 1027480085 /nfs/dbraw/zinc/48/00/85/1027480085.db2.gz BGOXTLPZCMHICV-SUMWQHHRSA-N 2 0 306.498 3.505 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256278 1027480107 /nfs/dbraw/zinc/48/01/07/1027480107.db2.gz DUHNJRWZAVGOLP-XJKSGUPXSA-N 2 0 308.853 3.533 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423292055 1027485854 /nfs/dbraw/zinc/48/58/54/1027485854.db2.gz LBRBMTYLKGEGCW-IAQYHMDHSA-N 2 0 301.459 3.638 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423289174 1027486773 /nfs/dbraw/zinc/48/67/73/1027486773.db2.gz AMYVKRMWJPWIPE-VLIAUNLRSA-N 2 0 310.441 3.882 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291927 1027486809 /nfs/dbraw/zinc/48/68/09/1027486809.db2.gz KOUJAOJXXRJZPJ-REABXYAWSA-N 2 0 324.468 3.997 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)cc1 ZINC000423289423 1027487469 /nfs/dbraw/zinc/48/74/69/1027487469.db2.gz AVTGOHNEOIKMFH-HUUCEWRRSA-N 2 0 312.461 3.869 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423271340 1027489603 /nfs/dbraw/zinc/48/96/03/1027489603.db2.gz IYMAZMHOMILYEA-RHSMWYFYSA-N 2 0 301.478 3.797 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423293208 1027489828 /nfs/dbraw/zinc/48/98/28/1027489828.db2.gz QGTGXSVYSUNFPH-SWLSCSKDSA-N 2 0 315.486 3.892 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423268777 1027490465 /nfs/dbraw/zinc/49/04/65/1027490465.db2.gz GKPBMTSMSLVZML-VXGBXAGGSA-N 2 0 321.465 3.764 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423271341 1027490805 /nfs/dbraw/zinc/49/08/05/1027490805.db2.gz IYMAZMHOMILYEA-WMLDXEAASA-N 2 0 301.478 3.797 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCCO2 ZINC000295923102 1027491640 /nfs/dbraw/zinc/49/16/40/1027491640.db2.gz KAMVCSNECKEXON-PHSGOXPASA-N 2 0 314.473 3.732 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310387 1027497125 /nfs/dbraw/zinc/49/71/25/1027497125.db2.gz AEVXOIHCLWRJJU-HUUCEWRRSA-N 2 0 300.368 3.729 20 0 DHADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423312084 1027497289 /nfs/dbraw/zinc/49/72/89/1027497289.db2.gz CSSJCLVLSIKIEW-BZUAXINKSA-N 2 0 312.379 3.668 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423294568 1027499632 /nfs/dbraw/zinc/49/96/32/1027499632.db2.gz UVZRKXSJJQMKJL-UONOGXRCSA-N 2 0 311.429 3.516 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000423295865 1027503052 /nfs/dbraw/zinc/50/30/52/1027503052.db2.gz XOWXPKSIOIICQI-LIRRHRJNSA-N 2 0 312.482 3.827 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423347850 1027506853 /nfs/dbraw/zinc/50/68/53/1027506853.db2.gz RKTBLGTXPIVELV-DLBZAZTESA-N 2 0 324.390 3.851 20 0 DHADRP Fc1ccccc1C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1 ZINC000423340740 1027514935 /nfs/dbraw/zinc/51/49/35/1027514935.db2.gz CCWHKUMJJUBULG-FQEVSTJZSA-N 2 0 310.416 3.619 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000423334772 1027515375 /nfs/dbraw/zinc/51/53/75/1027515375.db2.gz FXYFNRRYGRGZHR-QGZVFWFLSA-N 2 0 322.452 3.836 20 0 DHADRP c1cncc([C@H]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC000423373546 1027516180 /nfs/dbraw/zinc/51/61/80/1027516180.db2.gz HREPXCFJPPCKCX-OXJNMPFZSA-N 2 0 307.441 3.501 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423349118 1027516781 /nfs/dbraw/zinc/51/67/81/1027516781.db2.gz VEAJFJCZQCMWFZ-AZUAARDMSA-N 2 0 311.473 3.833 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CC[C@H]3CCC[NH2+]3)cs2)cs1 ZINC000423354707 1027518504 /nfs/dbraw/zinc/51/85/04/1027518504.db2.gz DHIUUYMCQPFNQS-BXUZGUMPSA-N 2 0 321.515 3.973 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356770 1027519900 /nfs/dbraw/zinc/51/99/00/1027519900.db2.gz KLWFUNSQTGZFQD-JKSUJKDBSA-N 2 0 313.489 3.956 20 0 DHADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000296038044 1027521823 /nfs/dbraw/zinc/52/18/23/1027521823.db2.gz NUBCSJQYIJLTPH-QWQRMKEZSA-N 2 0 306.400 3.559 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(OC(F)F)c1 ZINC000423367952 1027522942 /nfs/dbraw/zinc/52/29/42/1027522942.db2.gz ZFUGAXQSPUHXDS-GFCCVEGCSA-N 2 0 318.367 3.742 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(O)c2)CC1)CC(C)C ZINC000575907705 1027525008 /nfs/dbraw/zinc/52/50/08/1027525008.db2.gz RQMQXWNVKDVRRX-UHFFFAOYSA-N 2 0 318.505 3.972 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423383917 1027527566 /nfs/dbraw/zinc/52/75/66/1027527566.db2.gz FQLWUKVEYUPXFE-OLMNPRSZSA-N 2 0 302.462 3.611 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423393101 1027534265 /nfs/dbraw/zinc/53/42/65/1027534265.db2.gz QJIUYGRVFWZHLJ-USXIJHARSA-N 2 0 320.477 3.795 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2cccc(Br)c21 ZINC000423401781 1027534359 /nfs/dbraw/zinc/53/43/59/1027534359.db2.gz XJIPWEMOJJAHKW-RTWAVKEYSA-N 2 0 323.278 3.728 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423424780 1027538610 /nfs/dbraw/zinc/53/86/10/1027538610.db2.gz DAENOUNQCJSUAB-VQTJNVASSA-N 2 0 304.437 3.734 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000423444236 1027544833 /nfs/dbraw/zinc/54/48/33/1027544833.db2.gz QZINSLMDSJUVPC-GBESFXJTSA-N 2 0 302.462 3.514 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443384 1027544921 /nfs/dbraw/zinc/54/49/21/1027544921.db2.gz AKUWROZIEPLVLK-RYUDHWBXSA-N 2 0 302.434 3.822 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423450066 1027548050 /nfs/dbraw/zinc/54/80/50/1027548050.db2.gz HCUVMSCVKRZHKK-IAQYHMDHSA-N 2 0 311.267 3.617 20 0 DHADRP CSC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423453856 1027549174 /nfs/dbraw/zinc/54/91/74/1027549174.db2.gz KZFVCFNYKGHDSR-SMDDNHRTSA-N 2 0 320.424 3.827 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C(C)C)cc1 ZINC000423436080 1027549866 /nfs/dbraw/zinc/54/98/66/1027549866.db2.gz ZGMWMGRCIQNGBO-BXWFABGCSA-N 2 0 304.478 3.747 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000423434327 1027550732 /nfs/dbraw/zinc/55/07/32/1027550732.db2.gz XSAAYWVQKZUUBQ-ZWOKBUDYSA-N 2 0 309.457 3.526 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+])cc1F ZINC000423437854 1027550798 /nfs/dbraw/zinc/55/07/98/1027550798.db2.gz QXKMNSYKVWFASD-ZVZYQTTQSA-N 2 0 322.468 3.968 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000423456524 1027552680 /nfs/dbraw/zinc/55/26/80/1027552680.db2.gz NYDZAXATDXEMME-MISXGVKJSA-N 2 0 311.267 3.714 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423464417 1027555770 /nfs/dbraw/zinc/55/57/70/1027555770.db2.gz WANJNTWKZKZZFL-NXEZZACHSA-N 2 0 306.784 3.719 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423464418 1027555459 /nfs/dbraw/zinc/55/54/59/1027555459.db2.gz WANJNTWKZKZZFL-UWVGGRQHSA-N 2 0 306.784 3.719 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000296138408 1027555465 /nfs/dbraw/zinc/55/54/65/1027555465.db2.gz WCRIYZCNAYWIBN-SFHVURJKSA-N 2 0 318.486 3.929 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)C[C@H](C)O1 ZINC000562656687 1027555681 /nfs/dbraw/zinc/55/56/81/1027555681.db2.gz GKFMDEWDZUYAAY-KCITZHQASA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)cc1 ZINC000423461499 1027555727 /nfs/dbraw/zinc/55/57/27/1027555727.db2.gz CNHXEPOLEAHUSG-LDQXTDLNSA-N 2 0 324.468 3.892 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423460432 1027555871 /nfs/dbraw/zinc/55/58/71/1027555871.db2.gz BGRIJBPTWRHCJX-BQFCYCMXSA-N 2 0 306.519 3.910 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)C[C@H](C)O1 ZINC000562656688 1027556142 /nfs/dbraw/zinc/55/61/42/1027556142.db2.gz GKFMDEWDZUYAAY-NBMJBFSESA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000423471325 1027557131 /nfs/dbraw/zinc/55/71/31/1027557131.db2.gz FBOWAKBVDSEXPR-GXTWGEPZSA-N 2 0 316.367 3.768 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000423466661 1027558100 /nfs/dbraw/zinc/55/81/00/1027558100.db2.gz ISRFKWXZEQEKMY-QBIMZIAESA-N 2 0 306.881 3.768 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000423471330 1027558456 /nfs/dbraw/zinc/55/84/56/1027558456.db2.gz FBOWAKBVDSEXPR-OCCSQVGLSA-N 2 0 316.367 3.768 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)cs1 ZINC000423478013 1027561066 /nfs/dbraw/zinc/56/10/66/1027561066.db2.gz SYCUVTSLRXFJNE-HOSYDEDBSA-N 2 0 317.296 3.679 20 0 DHADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423478278 1027562179 /nfs/dbraw/zinc/56/21/79/1027562179.db2.gz KYZPBXLIEWWTAS-GOEBONIOSA-N 2 0 323.278 3.558 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423488770 1027571526 /nfs/dbraw/zinc/57/15/26/1027571526.db2.gz VRKSDGVSLGVUJC-KGLIPLIRSA-N 2 0 312.404 3.779 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000423517485 1027576298 /nfs/dbraw/zinc/57/62/98/1027576298.db2.gz YXLVHSWTZAFUTH-AUUYWEPGSA-N 2 0 316.420 3.965 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000423517486 1027577222 /nfs/dbraw/zinc/57/72/22/1027577222.db2.gz YXLVHSWTZAFUTH-IFXJQAMLSA-N 2 0 316.420 3.965 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000423519493 1027577435 /nfs/dbraw/zinc/57/74/35/1027577435.db2.gz PUXWJFZAGLSDRK-UXHICEINSA-N 2 0 310.441 3.839 20 0 DHADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000423520120 1027580554 /nfs/dbraw/zinc/58/05/54/1027580554.db2.gz DQSIVILUJUSEOB-OAHLLOKOSA-N 2 0 311.267 3.632 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(OC(F)F)cc1 ZINC000423538968 1027582894 /nfs/dbraw/zinc/58/28/94/1027582894.db2.gz HKZYONCIBNLCIA-DLTWYDFYSA-N 2 0 324.415 3.717 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423543751 1027584113 /nfs/dbraw/zinc/58/41/13/1027584113.db2.gz VTNABMDEAYUFAM-ZDUSSCGKSA-N 2 0 312.379 3.536 20 0 DHADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423536216 1027584560 /nfs/dbraw/zinc/58/45/60/1027584560.db2.gz HCKHFFLFARIAAG-MRXNPFEDSA-N 2 0 308.853 3.699 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]CCC3=CC[NH2+]CC3)C2)cc1 ZINC000423546054 1027586768 /nfs/dbraw/zinc/58/67/68/1027586768.db2.gz YJWUGNFYJVFNNR-AEFFLSMTSA-N 2 0 304.865 3.876 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000576239568 1027587347 /nfs/dbraw/zinc/58/73/47/1027587347.db2.gz BJTKDSOITOAWEW-MAUKXSAKSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000576239570 1027590167 /nfs/dbraw/zinc/59/01/67/1027590167.db2.gz BJTKDSOITOAWEW-YJBOKZPZSA-N 2 0 311.473 3.911 20 0 DHADRP CCc1ccc([C@H]2CCC[N@H+](CCCc3cncn3C)C2)cc1 ZINC000576289415 1027598794 /nfs/dbraw/zinc/59/87/94/1027598794.db2.gz DBXSNHBGGLVDNB-IBGZPJMESA-N 2 0 311.473 3.795 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)CC1Cc2ccccc2C1 ZINC000576392861 1027609635 /nfs/dbraw/zinc/60/96/35/1027609635.db2.gz XQDBHCFIZZDDAO-UHFFFAOYSA-N 2 0 311.473 3.573 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)cc(F)c1 ZINC000296593270 1027681189 /nfs/dbraw/zinc/68/11/89/1027681189.db2.gz XVIPUDPQGLEUEA-CYBMUJFWSA-N 2 0 308.416 3.675 20 0 DHADRP CC(C)C[NH+]1CCC([N@H+](C)CCc2cccc(Cl)c2)CC1 ZINC001258017205 1027695046 /nfs/dbraw/zinc/69/50/46/1027695046.db2.gz WGLQYRQIUUOFOO-UHFFFAOYSA-N 2 0 308.897 3.935 20 0 DHADRP CCC[NH+]1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000577051424 1027696977 /nfs/dbraw/zinc/69/69/77/1027696977.db2.gz LFPJWPFHWPJDQT-UHFFFAOYSA-N 2 0 308.416 3.675 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000577073346 1027702136 /nfs/dbraw/zinc/70/21/36/1027702136.db2.gz OOPVFNASLCGYRN-QWHCGFSZSA-N 2 0 304.434 3.866 20 0 DHADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000577107350 1027708537 /nfs/dbraw/zinc/70/85/37/1027708537.db2.gz KTWSVSPABPWHEO-SFHVURJKSA-N 2 0 320.546 3.733 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(Cl)c2Cl)C1 ZINC000577305274 1027743993 /nfs/dbraw/zinc/74/39/93/1027743993.db2.gz GJBHJVWAPSMSBM-WFASDCNBSA-N 2 0 313.272 3.910 20 0 DHADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000364323137 1027808588 /nfs/dbraw/zinc/80/85/88/1027808588.db2.gz IHZJSECXVQAGLD-DZGCQCFKSA-N 2 0 307.507 3.530 20 0 DHADRP Cc1cc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000577569920 1027822145 /nfs/dbraw/zinc/82/21/45/1027822145.db2.gz TYBRAJXHDLRKDA-UHFFFAOYSA-N 2 0 306.881 3.655 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000562960061 1027827660 /nfs/dbraw/zinc/82/76/60/1027827660.db2.gz KUNFANHWVSVWRU-CHWSQXEVSA-N 2 0 317.260 3.622 20 0 DHADRP F[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000577729289 1027912196 /nfs/dbraw/zinc/91/21/96/1027912196.db2.gz JTQMRVZHWVZVAY-KURKYZTESA-N 2 0 302.437 3.664 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527859222 1027921397 /nfs/dbraw/zinc/92/13/97/1027921397.db2.gz OAJBXPHXYFLZCK-KRWDZBQOSA-N 2 0 310.844 3.788 20 0 DHADRP CC(C)[NH+]1CCC(N[C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527863546 1027925771 /nfs/dbraw/zinc/92/57/71/1027925771.db2.gz IPZKPIIWEZUZKC-KRWDZBQOSA-N 2 0 310.844 3.929 20 0 DHADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC12CC2 ZINC000527862262 1027926832 /nfs/dbraw/zinc/92/68/32/1027926832.db2.gz ABZNDOBGCGIWMD-YQXATGRUSA-N 2 0 312.501 3.921 20 0 DHADRP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)c1cccc(OC)c1 ZINC000563270781 1027962991 /nfs/dbraw/zinc/96/29/91/1027962991.db2.gz AKNBCYODKYQOOR-INIZCTEOSA-N 2 0 324.468 3.924 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC([NH3+])(Cc4ccccc4F)CC3)C[C@@H]21 ZINC001170736569 1027971404 /nfs/dbraw/zinc/97/14/04/1027971404.db2.gz AOWVAKCKSFKJDA-OSYLJGHBSA-N 2 0 316.464 3.596 20 0 DHADRP CC1=C[C@@H](C)C[C@@H](C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000365621282 1027986705 /nfs/dbraw/zinc/98/67/05/1027986705.db2.gz UFPFRTJDQHYUDS-SJLPKXTDSA-N 2 0 320.521 3.554 20 0 DHADRP C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578109296 1028051624 /nfs/dbraw/zinc/05/16/24/1028051624.db2.gz DSBWKDFISCUPMP-UZLBHIALSA-N 2 0 312.501 3.644 20 0 DHADRP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@H](C)C1 ZINC001168102179 1028060845 /nfs/dbraw/zinc/06/08/45/1028060845.db2.gz OFXUGZXZOFGIQG-AFYVEPGGSA-N 2 0 316.489 3.634 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367058885 1028129219 /nfs/dbraw/zinc/12/92/19/1028129219.db2.gz YWXYDWKTYJUJCA-QZTJIDSGSA-N 2 0 308.510 3.580 20 0 DHADRP CO[C@@H]1CC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000367367965 1028173235 /nfs/dbraw/zinc/17/32/35/1028173235.db2.gz OTYIDTNHRVCKJE-ZUPWUQBJSA-N 2 0 316.489 3.587 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000563730889 1028180310 /nfs/dbraw/zinc/18/03/10/1028180310.db2.gz KCSUBPIEMZAUMA-KGLIPLIRSA-N 2 0 308.416 3.636 20 0 DHADRP c1ccc(CC[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000578617125 1028196908 /nfs/dbraw/zinc/19/69/08/1028196908.db2.gz YOJIGPGHKOTZNQ-OAQYLSRUSA-N 2 0 308.469 3.950 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000367634875 1028217348 /nfs/dbraw/zinc/21/73/48/1028217348.db2.gz PGQVMHRLQOGPLV-GUYCJALGSA-N 2 0 320.864 3.628 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCF)[C@@H]1c1ccccc1 ZINC000367760525 1028234941 /nfs/dbraw/zinc/23/49/41/1028234941.db2.gz ZMKDODXOTQUJJK-AITUJVMLSA-N 2 0 304.453 3.797 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000578879460 1028262028 /nfs/dbraw/zinc/26/20/28/1028262028.db2.gz OTAZWMIEQIYTTH-ZOBORPQBSA-N 2 0 303.475 3.505 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000449026533 1028263968 /nfs/dbraw/zinc/26/39/68/1028263968.db2.gz GDWHXVNVQGSBBY-GLJUWKHASA-N 2 0 310.432 3.730 20 0 DHADRP COc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc2ccccc21 ZINC000449027523 1028265220 /nfs/dbraw/zinc/26/52/20/1028265220.db2.gz IWWYSQUWDLZLBB-QGZVFWFLSA-N 2 0 324.468 3.766 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000449066005 1028303005 /nfs/dbraw/zinc/30/30/05/1028303005.db2.gz YGXJQTIQQKSGPE-GOSISDBHSA-N 2 0 308.469 3.872 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449084450 1028321690 /nfs/dbraw/zinc/32/16/90/1028321690.db2.gz XYBYQRFASFBSTE-UHFFFAOYSA-N 2 0 318.509 3.600 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(CC)cn2)CC1 ZINC000579146446 1028333481 /nfs/dbraw/zinc/33/34/81/1028333481.db2.gz HLVIQGZXHLMQOL-UHFFFAOYSA-N 2 0 303.494 3.588 20 0 DHADRP Cc1cccc(CC[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000449070926 1028334220 /nfs/dbraw/zinc/33/42/20/1028334220.db2.gz GAEQCDJPMASCJV-UHFFFAOYSA-N 2 0 305.425 3.572 20 0 DHADRP COc1cc(C)ccc1C[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000449071884 1028334786 /nfs/dbraw/zinc/33/47/86/1028334786.db2.gz CHUXEJNXELRRCN-UHFFFAOYSA-N 2 0 321.424 3.538 20 0 DHADRP C[C@H](CC1CC1)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368401981 1028349879 /nfs/dbraw/zinc/34/98/79/1028349879.db2.gz IAHMJVKKOYXQAC-QAPCUYQASA-N 2 0 314.473 3.753 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449094751 1028367864 /nfs/dbraw/zinc/36/78/64/1028367864.db2.gz TYNVBGPTZYCBNK-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000368565375 1028372488 /nfs/dbraw/zinc/37/24/88/1028372488.db2.gz CVAHYOQGKUWDBB-IBGZPJMESA-N 2 0 314.473 3.633 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000449172770 1028414313 /nfs/dbraw/zinc/41/43/13/1028414313.db2.gz DIYRPTJMQCMIBH-KRWDZBQOSA-N 2 0 300.490 3.862 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000449163290 1028423657 /nfs/dbraw/zinc/42/36/57/1028423657.db2.gz LRDSXYRTFSVLCO-FUHWJXTLSA-N 2 0 324.553 3.806 20 0 DHADRP CCC[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449218192 1028459581 /nfs/dbraw/zinc/45/95/81/1028459581.db2.gz GFFDENAFAMUTJT-UHFFFAOYSA-N 2 0 308.510 3.721 20 0 DHADRP C[N@H+](CCSC(C)(C)C)C1CCN(c2ccccn2)CC1 ZINC000369224901 1028462924 /nfs/dbraw/zinc/46/29/24/1028462924.db2.gz MXUMBGKGPPDKHD-UHFFFAOYSA-N 2 0 307.507 3.514 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000449232116 1028471647 /nfs/dbraw/zinc/47/16/47/1028471647.db2.gz HBCLPBUFQWNLLN-APWZRJJASA-N 2 0 318.505 3.558 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449251796 1028476220 /nfs/dbraw/zinc/47/62/20/1028476220.db2.gz PITXKEQCBVPMAM-WMZOPIPTSA-N 2 0 304.865 3.828 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000449251753 1028476386 /nfs/dbraw/zinc/47/63/86/1028476386.db2.gz OZQYPEOODDJIHV-INIZCTEOSA-N 2 0 310.526 3.824 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449246598 1028492062 /nfs/dbraw/zinc/49/20/62/1028492062.db2.gz DLRGYDNUSOEGIY-UHFFFAOYSA-N 3 0 321.553 3.517 20 0 DHADRP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C[C@H]1CCC[NH+](C)C1 ZINC000118841897 1028524061 /nfs/dbraw/zinc/52/40/61/1028524061.db2.gz SOLJLMXZPIQCMB-AWEZNQCLSA-N 2 0 317.864 3.662 20 0 DHADRP COc1cc2ccccc2cc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000449327814 1028539540 /nfs/dbraw/zinc/53/95/40/1028539540.db2.gz CTDSOGIGERNIKX-QUCCMNQESA-N 2 0 324.468 3.765 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000565227197 1028559618 /nfs/dbraw/zinc/55/96/18/1028559618.db2.gz TVKILVFKMXSXDK-DMRZNYOFSA-N 2 0 312.379 3.811 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000565227130 1028561129 /nfs/dbraw/zinc/56/11/29/1028561129.db2.gz RNUWRSSJJBIRLC-CABCVRRESA-N 2 0 312.379 3.597 20 0 DHADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000565227002 1028561424 /nfs/dbraw/zinc/56/14/24/1028561424.db2.gz SWPBRYJDHYTVDG-HDMKZQKVSA-N 2 0 323.912 3.582 20 0 DHADRP CC(F)(F)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449348196 1028562778 /nfs/dbraw/zinc/56/27/78/1028562778.db2.gz BNJKUYPILCFBAN-OKZBNKHCSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000815570828 1028565914 /nfs/dbraw/zinc/56/59/14/1028565914.db2.gz NDDWPTBJQNHPSO-VQIMIIECSA-N 2 0 308.510 3.578 20 0 DHADRP COc1cccc(C2=CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000370503349 1028608815 /nfs/dbraw/zinc/60/88/15/1028608815.db2.gz ROZVLIMNUOPLHF-LJQANCHMSA-N 2 0 314.473 3.659 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000565673996 1028616573 /nfs/dbraw/zinc/61/65/73/1028616573.db2.gz FOKFYGNBMMNLEH-YJBOKZPZSA-N 2 0 324.896 3.567 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000370671269 1028635468 /nfs/dbraw/zinc/63/54/68/1028635468.db2.gz PENLBHFKBRUNFQ-AEGPPILISA-N 2 0 308.466 3.825 20 0 DHADRP C[C@H](CC(C)(C)O)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449449959 1028654312 /nfs/dbraw/zinc/65/43/12/1028654312.db2.gz NBFFEMXLVVZKEX-OAHLLOKOSA-N 2 0 312.542 3.805 20 0 DHADRP CC(C)N1CCc2nc(C[NH2+]CC(C)(C)C3CCC3)sc2C1 ZINC000449484367 1028694160 /nfs/dbraw/zinc/69/41/60/1028694160.db2.gz GUPDREDWLNCUEX-UHFFFAOYSA-N 2 0 321.534 3.826 20 0 DHADRP Cc1ccccc1NC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000372016005 1028790290 /nfs/dbraw/zinc/79/02/90/1028790290.db2.gz AMKSURIWUDHPOE-IBGZPJMESA-N 2 0 315.505 3.746 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560170 1028802930 /nfs/dbraw/zinc/80/29/30/1028802930.db2.gz HCIBQEKWNREYJN-LNRIEFBSSA-N 2 0 304.503 3.554 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000449739629 1028960041 /nfs/dbraw/zinc/96/00/41/1028960041.db2.gz BHMPJNVZRSDPQL-HKUYNNGSSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000568008320 1028991816 /nfs/dbraw/zinc/99/18/16/1028991816.db2.gz VALQUYPZOHNXEE-RRLKHEDLSA-N 2 0 301.478 3.714 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000449776615 1028991919 /nfs/dbraw/zinc/99/19/19/1028991919.db2.gz OPRNRIQALSPENS-OAHLLOKOSA-N 2 0 306.413 3.735 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000778642289 1029061031 /nfs/dbraw/zinc/06/10/31/1029061031.db2.gz COMYDXNVTZQKCZ-VQIMIIECSA-N 2 0 312.457 3.897 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000778642287 1029061943 /nfs/dbraw/zinc/06/19/43/1029061943.db2.gz COMYDXNVTZQKCZ-LPHOPBHVSA-N 2 0 312.457 3.897 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000373698987 1029116407 /nfs/dbraw/zinc/11/64/07/1029116407.db2.gz WKNREQNSSIDGSC-YSTOQKLRSA-N 2 0 322.537 3.683 20 0 DHADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000411403130 1029121189 /nfs/dbraw/zinc/12/11/89/1029121189.db2.gz AREQKXPNYBAKJV-GOSISDBHSA-N 2 0 304.503 3.610 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000568933614 1029148009 /nfs/dbraw/zinc/14/80/09/1029148009.db2.gz YFVISPBXRMZKIO-ASFAAARLSA-N 2 0 322.443 3.921 20 0 DHADRP CS[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411793238 1029209250 /nfs/dbraw/zinc/20/92/50/1029209250.db2.gz OYMNLWNQYOMZPV-SFHVURJKSA-N 2 0 304.503 3.610 20 0 DHADRP CS[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411803212 1029214484 /nfs/dbraw/zinc/21/44/84/1029214484.db2.gz WDGQXNKQTNGJOI-SFHVURJKSA-N 2 0 304.503 3.610 20 0 DHADRP C[C@@H](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000411824169 1029216709 /nfs/dbraw/zinc/21/67/09/1029216709.db2.gz QMXPMVFZUHZPPJ-VSKDJGRCSA-N 2 0 304.522 3.959 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000817936131 1029278525 /nfs/dbraw/zinc/27/85/25/1029278525.db2.gz GQUHKJZIZWZZQL-MGPQQGTHSA-N 2 0 307.309 3.861 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000569671431 1029246998 /nfs/dbraw/zinc/24/69/98/1029246998.db2.gz RCPMONMNGXFTNT-UHFFFAOYSA-N 2 0 320.440 3.825 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000817895712 1029270419 /nfs/dbraw/zinc/27/04/19/1029270419.db2.gz ZSFGRJPMCMHWTA-SIXWZSSISA-N 2 0 302.462 3.514 20 0 DHADRP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817908199 1029273110 /nfs/dbraw/zinc/27/31/10/1029273110.db2.gz PUFVZIVABGLWQW-TZIWHRDSSA-N 2 0 322.452 3.649 20 0 DHADRP CCC(CC)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000374284341 1029273920 /nfs/dbraw/zinc/27/39/20/1029273920.db2.gz PLDSZYCAWCEUIQ-UHFFFAOYSA-N 3 0 323.569 3.551 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)[C@H]2CCC[C@H]21 ZINC000569892574 1029283133 /nfs/dbraw/zinc/28/31/33/1029283133.db2.gz PXKJIWUZMVGQTR-IXDOHACOSA-N 2 0 300.471 3.864 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817941313 1029283802 /nfs/dbraw/zinc/28/38/02/1029283802.db2.gz RZYIGJZBTFCAPV-CQSZACIVSA-N 2 0 300.418 3.578 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000817946768 1029286911 /nfs/dbraw/zinc/28/69/11/1029286911.db2.gz DPUOVOJIJMHMOM-RDBSUJKOSA-N 2 0 310.869 3.696 20 0 DHADRP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000817958435 1029296991 /nfs/dbraw/zinc/29/69/91/1029296991.db2.gz JRRWGDNVRIGTPT-GPJFCIFZSA-N 2 0 318.505 3.513 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(SC(F)F)cc1 ZINC000817970859 1029310923 /nfs/dbraw/zinc/31/09/23/1029310923.db2.gz GGZAUUNVLGVQMO-MJVIPROJSA-N 2 0 300.418 3.650 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817975755 1029313720 /nfs/dbraw/zinc/31/37/20/1029313720.db2.gz AYRBKPURBJLBKG-ZJUUUORDSA-N 2 0 304.265 3.744 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCC1CCCCC1 ZINC000570366397 1029357485 /nfs/dbraw/zinc/35/74/85/1029357485.db2.gz ZKJBVMBUAZONGJ-QRVBRYPASA-N 2 0 308.510 3.530 20 0 DHADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560126 1029366739 /nfs/dbraw/zinc/36/67/39/1029366739.db2.gz CXGARVLERKGAEL-MJBXVCDLSA-N 2 0 306.416 3.662 20 0 DHADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001170900225 1029367254 /nfs/dbraw/zinc/36/72/54/1029367254.db2.gz JQIIMCUNZOYQME-INIZCTEOSA-N 2 0 323.362 3.808 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551528 1029367666 /nfs/dbraw/zinc/36/76/66/1029367666.db2.gz UZHLKKMLLSFAPT-DZGCQCFKSA-N 2 0 314.395 3.657 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCC([NH+]4CCCCC4)CC3)C[C@H]2C1 ZINC000818332150 1029369150 /nfs/dbraw/zinc/36/91/50/1029369150.db2.gz KTPNWZCKBBEOMB-ZWUMXDEFSA-N 2 0 320.521 3.577 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1 ZINC000629565336 1029371992 /nfs/dbraw/zinc/37/19/92/1029371992.db2.gz VYXTUTCSNOONOR-ZBFHGGJFSA-N 2 0 314.395 3.571 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1OC ZINC000818358650 1029384008 /nfs/dbraw/zinc/38/40/08/1029384008.db2.gz FGFNWXIRDUPUHW-RMRDIRSESA-N 2 0 316.489 3.986 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529557758 1029414596 /nfs/dbraw/zinc/41/45/96/1029414596.db2.gz OJERHTATTNISDK-ZBFHGGJFSA-N 2 0 308.416 3.532 20 0 DHADRP CCN(C)CC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000571001500 1029442558 /nfs/dbraw/zinc/44/25/58/1029442558.db2.gz SBSSKHGOFDDTPR-JLHYYAGUSA-N 2 0 300.368 3.650 20 0 DHADRP Cc1cc(C)cc([C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000818959844 1029444850 /nfs/dbraw/zinc/44/48/50/1029444850.db2.gz USBHMGYWEKAAMH-UYAOXDASSA-N 2 0 318.505 3.581 20 0 DHADRP COc1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000450425325 1029457409 /nfs/dbraw/zinc/45/74/09/1029457409.db2.gz NBFWYDYZEHIVTQ-INIZCTEOSA-N 2 0 322.880 3.799 20 0 DHADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000819048951 1029457975 /nfs/dbraw/zinc/45/79/75/1029457975.db2.gz DMRGXPLJXGPBSF-SFHVURJKSA-N 2 0 324.896 3.619 20 0 DHADRP FC1(F)CCCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000450605033 1029563287 /nfs/dbraw/zinc/56/32/87/1029563287.db2.gz YDSKZHSWDLPDPZ-BFYDXBDKSA-N 2 0 312.448 3.761 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000450722243 1029620559 /nfs/dbraw/zinc/62/05/59/1029620559.db2.gz ZXUWWDCDDHYCGI-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP Fc1cc(C[NH2+]C2CCC3(C[NH2+]C3)CC2)c(Cl)cc1Cl ZINC001246076784 1029722541 /nfs/dbraw/zinc/72/25/41/1029722541.db2.gz PKTOJOXPPCUEGO-UHFFFAOYSA-N 2 0 317.235 3.754 20 0 DHADRP C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820811785 1029769712 /nfs/dbraw/zinc/76/97/12/1029769712.db2.gz WDCUNDQZARJKGO-OXQOHEQNSA-N 2 0 312.457 3.523 20 0 DHADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820816247 1029770395 /nfs/dbraw/zinc/77/03/95/1029770395.db2.gz ZBEUBBSSIPPZMR-IIDMSEBBSA-N 2 0 316.445 3.504 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C1CCC1)C1CCC1 ZINC000530211642 1029785414 /nfs/dbraw/zinc/78/54/14/1029785414.db2.gz NLUIOTBALKMNTQ-ZDUSSCGKSA-N 2 0 301.478 3.716 20 0 DHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000530218850 1029786646 /nfs/dbraw/zinc/78/66/46/1029786646.db2.gz XOUPLYSAUCWEHV-OIISXLGYSA-N 2 0 304.865 3.850 20 0 DHADRP C[C@H]1C[C@@H](C[NH2+]C(C)(C)c2nc3ccccc3s2)CC[NH2+]1 ZINC000530242207 1029788709 /nfs/dbraw/zinc/78/87/09/1029788709.db2.gz LSCSGABIYFESPT-STQMWFEESA-N 2 0 303.475 3.509 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392248907 1029814678 /nfs/dbraw/zinc/81/46/78/1029814678.db2.gz SEBANFAQDMLDCC-LBPRGKRZSA-N 2 0 307.507 3.662 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925233797 1029843232 /nfs/dbraw/zinc/84/32/32/1029843232.db2.gz XNZXVQKDGPEPRZ-UXHICEINSA-N 2 0 322.537 3.539 20 0 DHADRP CC(C)OCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000121810752 1029859259 /nfs/dbraw/zinc/85/92/59/1029859259.db2.gz RPNVDVYRDFKYDT-ICSRJNTNSA-N 2 0 318.505 3.786 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000671099114 1029862609 /nfs/dbraw/zinc/86/26/09/1029862609.db2.gz VOPTZCIITZBUEA-DLBZAZTESA-N 2 0 318.505 3.964 20 0 DHADRP [NH3+]CCCCCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246164829 1029963454 /nfs/dbraw/zinc/96/34/54/1029963454.db2.gz PGVZEKYXCIDVBO-CQSZACIVSA-N 2 0 315.288 3.959 20 0 DHADRP Cc1ccncc1CCC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000290295569 1029984142 /nfs/dbraw/zinc/98/41/42/1029984142.db2.gz HINMBHOZMAJSNR-UHFFFAOYSA-N 2 0 323.484 3.708 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000865765256 1030013609 /nfs/dbraw/zinc/01/36/09/1030013609.db2.gz NPXASDSXLULLHW-UHFFFAOYSA-N 2 0 319.474 3.756 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000865765478 1030014356 /nfs/dbraw/zinc/01/43/56/1030014356.db2.gz WQVZVVSCJBBWAP-VHBXLISGSA-N 2 0 315.505 3.960 20 0 DHADRP CCCC[C@H]1C[C@H](NCC[NH+](CCCC)CCCC)CC[NH2+]1 ZINC001246192949 1030081929 /nfs/dbraw/zinc/08/19/29/1030081929.db2.gz KPCOTZHKGYMXJG-RBUKOAKNSA-N 2 0 311.558 3.789 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924526441 1030114601 /nfs/dbraw/zinc/11/46/01/1030114601.db2.gz FAODUNHGSIXUBD-HZPDHXFCSA-N 2 0 306.498 3.769 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)c1 ZINC000924606059 1030136941 /nfs/dbraw/zinc/13/69/41/1030136941.db2.gz AECKGRPNQPLFAG-FPOVZHCZSA-N 2 0 323.484 3.644 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924648593 1030150250 /nfs/dbraw/zinc/15/02/50/1030150250.db2.gz MAALOXGNGLGHOX-HZPDHXFCSA-N 2 0 318.530 3.804 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnn(C2CCC2)c1 ZINC000924686053 1030156626 /nfs/dbraw/zinc/15/66/26/1030156626.db2.gz KFGMGTFOBPLIJL-IAGOWNOFSA-N 2 0 318.509 3.771 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1(Br)CC1 ZINC000924686560 1030159396 /nfs/dbraw/zinc/15/93/96/1030159396.db2.gz LWVLVMFHUSWHAH-KGLIPLIRSA-N 2 0 317.315 3.547 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000772864937 1030160037 /nfs/dbraw/zinc/16/00/37/1030160037.db2.gz PFFBMUZNFFIDSQ-IUDNXUCKSA-N 2 0 307.507 3.899 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924689790 1030161125 /nfs/dbraw/zinc/16/11/25/1030161125.db2.gz YYVITBUXESJZJU-LRYGQEGESA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866228428 1030169157 /nfs/dbraw/zinc/16/91/57/1030169157.db2.gz HGVHFMVSJCOUCZ-NEPJUHHUSA-N 2 0 319.836 3.616 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171010743 1030230368 /nfs/dbraw/zinc/23/03/68/1030230368.db2.gz CADZRCWIKAAMGR-INIZCTEOSA-N 2 0 306.881 3.519 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000925010962 1030246978 /nfs/dbraw/zinc/24/69/78/1030246978.db2.gz PAUXJLYQRCQLOU-HOTGVXAUSA-N 2 0 306.519 3.661 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866351725 1030247774 /nfs/dbraw/zinc/24/77/74/1030247774.db2.gz MGLAGOPMBHOBQC-PZJWPPBQSA-N 2 0 323.484 3.890 20 0 DHADRP Cc1ccc(SCC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000533310852 1030254931 /nfs/dbraw/zinc/25/49/31/1030254931.db2.gz CNOUCODYTCHAIJ-IRXDYDNUSA-N 2 0 306.519 3.810 20 0 DHADRP c1cc2c(cccc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)[nH]1 ZINC000246100871 1030297855 /nfs/dbraw/zinc/29/78/55/1030297855.db2.gz JFYURHQIVVRSAN-JXFKEZNVSA-N 2 0 309.457 3.617 20 0 DHADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925209241 1030306499 /nfs/dbraw/zinc/30/64/99/1030306499.db2.gz WQSHUWAUAYTTQG-VQIMIIECSA-N 2 0 310.526 3.703 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000866467304 1030306460 /nfs/dbraw/zinc/30/64/60/1030306460.db2.gz CNPLIUNJFCRJGG-ZDUSSCGKSA-N 2 0 309.523 3.921 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)s1 ZINC000866467316 1030307781 /nfs/dbraw/zinc/30/77/81/1030307781.db2.gz DEEUGFMFXJNLQQ-CYBMUJFWSA-N 2 0 309.523 3.921 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467439 1030309625 /nfs/dbraw/zinc/30/96/25/1030309625.db2.gz IBCKLKCEPVXTLW-AWEZNQCLSA-N 2 0 307.482 3.707 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000866467935 1030309838 /nfs/dbraw/zinc/30/98/38/1030309838.db2.gz VAHUKYPERJBNQQ-AWEZNQCLSA-N 2 0 309.885 3.896 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)CC1 ZINC000866493083 1030324418 /nfs/dbraw/zinc/32/44/18/1030324418.db2.gz WYHUNJDSUZVQOA-UHFFFAOYSA-N 2 0 317.452 3.622 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517331 1030341497 /nfs/dbraw/zinc/34/14/97/1030341497.db2.gz GXLKSCBKLIZTRT-IZIZEDOESA-N 2 0 304.478 3.615 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000866536393 1030357311 /nfs/dbraw/zinc/35/73/11/1030357311.db2.gz OZFSZFKEQAWBMU-OTJKEOIZSA-N 2 0 316.411 3.594 20 0 DHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000533466304 1030368915 /nfs/dbraw/zinc/36/89/15/1030368915.db2.gz VUJXOFJWJOPQQJ-ROUUACIJSA-N 2 0 324.553 3.806 20 0 DHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000533466305 1030370148 /nfs/dbraw/zinc/37/01/48/1030370148.db2.gz VUJXOFJWJOPQQJ-ZWKOTPCHSA-N 2 0 324.553 3.806 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCCC2 ZINC000151983801 1030372184 /nfs/dbraw/zinc/37/21/84/1030372184.db2.gz RAPLSSQJHILHLA-RBUKOAKNSA-N 2 0 320.521 3.721 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000925498971 1030377025 /nfs/dbraw/zinc/37/70/25/1030377025.db2.gz UOMLEWCSQHLOJL-FPOVZHCZSA-N 2 0 323.484 3.725 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1nc2ccccc2s1 ZINC000925499957 1030377049 /nfs/dbraw/zinc/37/70/49/1030377049.db2.gz VHPXZNPOQJXZFG-AVGNSLFASA-N 2 0 303.475 3.853 20 0 DHADRP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)Oc1ccccc1F ZINC000925523992 1030386733 /nfs/dbraw/zinc/38/67/33/1030386733.db2.gz PQURRPXKKCMRJJ-YJBOKZPZSA-N 2 0 316.420 3.663 20 0 DHADRP Cc1cccc2oc(CC[NH2+][C@@H](CCC[NH3+])c3ccccc3)nc21 ZINC000925527587 1030386781 /nfs/dbraw/zinc/38/67/81/1030386781.db2.gz OQCFJHRYUXDPBQ-KRWDZBQOSA-N 2 0 323.440 3.749 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000823747994 1030388277 /nfs/dbraw/zinc/38/82/77/1030388277.db2.gz PYUBANRSNQCSBJ-MOPGFXCFSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000866608214 1030398973 /nfs/dbraw/zinc/39/89/73/1030398973.db2.gz WYAMYSBWZONEDT-ZIAGYGMSSA-N 2 0 304.400 3.736 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cs1 ZINC000925564370 1030404379 /nfs/dbraw/zinc/40/43/79/1030404379.db2.gz HXBFATOVGALVTA-SJORKVTESA-N 2 0 321.534 3.567 20 0 DHADRP C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925635612 1030430109 /nfs/dbraw/zinc/43/01/09/1030430109.db2.gz STPUKDOAHHFJOJ-IERDGZPVSA-N 2 0 323.484 3.586 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925653957 1030439485 /nfs/dbraw/zinc/43/94/85/1030439485.db2.gz CWTBWHQDKICSMF-IPELMVKDSA-N 2 0 318.505 3.993 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000925664089 1030445825 /nfs/dbraw/zinc/44/58/25/1030445825.db2.gz YXPRACFQSZYZCD-IBGZPJMESA-N 2 0 307.441 3.780 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCN([C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925685032 1030453880 /nfs/dbraw/zinc/45/38/80/1030453880.db2.gz CUGGZPVYKVMVKS-DLBZAZTESA-N 2 0 323.569 3.725 20 0 DHADRP Cc1cc(C)cc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccnc2)c1 ZINC000925711070 1030460081 /nfs/dbraw/zinc/46/00/81/1030460081.db2.gz RAYZGWKSNGTXLM-OAQYLSRUSA-N 2 0 321.468 3.639 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1 ZINC000925723056 1030464258 /nfs/dbraw/zinc/46/42/58/1030464258.db2.gz QULXXDMUMGRUOP-ACRUOGEOSA-N 2 0 324.468 3.834 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](CCC[NH3+])c2ccccc2)nc1 ZINC000925719939 1030465401 /nfs/dbraw/zinc/46/54/01/1030465401.db2.gz QNLMKFQTTPCXOK-SFHVURJKSA-N 2 0 311.473 3.737 20 0 DHADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925735590 1030469839 /nfs/dbraw/zinc/46/98/39/1030469839.db2.gz GWHAFZTVQSFREU-CEXWTWQISA-N 2 0 314.473 3.583 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])sc1Br ZINC000925736608 1030471514 /nfs/dbraw/zinc/47/15/14/1030471514.db2.gz BYKPVFBQRNLDFX-VIFPVBQESA-N 2 0 305.285 3.597 20 0 DHADRP Cc1c([C@H](C)[NH2+]CCC(C)(C)[NH3+])cnn1-c1cccc(Cl)c1 ZINC000925742873 1030474733 /nfs/dbraw/zinc/47/47/33/1030474733.db2.gz YFJCQOXZJZFTES-LBPRGKRZSA-N 2 0 320.868 3.612 20 0 DHADRP CC(C)CC[C@@H]([N@@H+]1CCc2sc(C[NH3+])nc2C1)C(C)(C)C ZINC000925750827 1030479985 /nfs/dbraw/zinc/47/99/85/1030479985.db2.gz IJWAQJTVCZKYAN-OAHLLOKOSA-N 2 0 309.523 3.811 20 0 DHADRP CC[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925758632 1030484992 /nfs/dbraw/zinc/48/49/92/1030484992.db2.gz FWZIGDUCZUUOLU-OAHLLOKOSA-N 2 0 312.404 3.942 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000925760794 1030485016 /nfs/dbraw/zinc/48/50/16/1030485016.db2.gz SCZNZZXKKCJHKA-MSOLQXFVSA-N 2 0 320.452 3.639 20 0 DHADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777770 1030493551 /nfs/dbraw/zinc/49/35/51/1030493551.db2.gz QHADNSVGZYFETD-ZBFHGGJFSA-N 2 0 308.416 3.515 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccs1 ZINC000925786958 1030498858 /nfs/dbraw/zinc/49/88/58/1030498858.db2.gz YFCVHKFMAIHSEB-OLZOCXBDSA-N 2 0 302.434 3.670 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000925798027 1030499694 /nfs/dbraw/zinc/49/96/94/1030499694.db2.gz KCPNJIOOGXBUBP-JXXFODFXSA-N 2 0 309.457 3.645 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000925800198 1030500377 /nfs/dbraw/zinc/50/03/77/1030500377.db2.gz WPWUAXZEHAQNHC-LXTVHRRPSA-N 2 0 317.502 3.624 20 0 DHADRP c1cnc2ccc(CC[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)cc2c1 ZINC000925815362 1030508249 /nfs/dbraw/zinc/50/82/49/1030508249.db2.gz XBMRQQILWQMGKA-CTNGQTDRSA-N 2 0 323.484 3.535 20 0 DHADRP C[C@H]1Cc2cc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)ccc2O1 ZINC000925831964 1030513892 /nfs/dbraw/zinc/51/38/92/1030513892.db2.gz MAGBGQWALUXPIC-HNAYVOBHSA-N 2 0 310.441 3.580 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000925876874 1030529852 /nfs/dbraw/zinc/52/98/52/1030529852.db2.gz BNQQFBBMLQYTBU-WELBPKCISA-N 2 0 322.452 3.839 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCCO2 ZINC000925875019 1030529996 /nfs/dbraw/zinc/52/99/96/1030529996.db2.gz BPAOFVPPCGPRFK-WWGRRREGSA-N 2 0 308.853 3.579 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000925874963 1030530544 /nfs/dbraw/zinc/53/05/44/1030530544.db2.gz AIAIVYBHGATDJP-UMNHJUIQSA-N 2 0 318.795 3.719 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Oc2ccccc2)cn1 ZINC000925879901 1030531370 /nfs/dbraw/zinc/53/13/70/1030531370.db2.gz LMQJQMOPPQESCO-XHSDSOJGSA-N 2 0 311.429 3.652 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000925879314 1030532148 /nfs/dbraw/zinc/53/21/48/1030532148.db2.gz BJDCKFCMGMRZIV-SGIREYDYSA-N 2 0 323.278 3.544 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000925887922 1030536803 /nfs/dbraw/zinc/53/68/03/1030536803.db2.gz OZLSGPNTRGDBGR-DGQTTZFYSA-N 2 0 308.469 3.827 20 0 DHADRP Cc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246333641 1030585511 /nfs/dbraw/zinc/58/55/11/1030585511.db2.gz KYLWBFVIROXVDS-AWEZNQCLSA-N 2 0 323.278 3.522 20 0 DHADRP CSC1(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000558508606 1030611079 /nfs/dbraw/zinc/61/10/79/1030611079.db2.gz XCYDUGGFVANWCX-CVEARBPZSA-N 2 0 306.519 3.596 20 0 DHADRP CSC1(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC000558567328 1030650710 /nfs/dbraw/zinc/65/07/10/1030650710.db2.gz TYUCPSYWUUFAHQ-QGZVFWFLSA-N 2 0 310.551 3.716 20 0 DHADRP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247011677 1030668340 /nfs/dbraw/zinc/66/83/40/1030668340.db2.gz XKHIJLYVLPNQFG-FXAWDEMLSA-N 2 0 321.468 3.684 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cnccn1 ZINC000247154096 1030680017 /nfs/dbraw/zinc/68/00/17/1030680017.db2.gz TVMOVESXSFVEIP-DLBZAZTESA-N 2 0 324.472 3.702 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000247160236 1030680463 /nfs/dbraw/zinc/68/04/63/1030680463.db2.gz UBYVSBPDCODMKI-KZNAEPCWSA-N 2 0 320.525 3.873 20 0 DHADRP C[C@@H]1CCC[C@@H](C)[NH+]1CC1(C[NH+]2[C@H](C)CCC[C@H]2C)COC1 ZINC000247854952 1030707287 /nfs/dbraw/zinc/70/72/87/1030707287.db2.gz XUWHIKDAYDZXBY-BRSBDYLESA-N 2 0 308.510 3.529 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc(C[NH+](C)C)c1 ZINC000926365219 1030714302 /nfs/dbraw/zinc/71/43/02/1030714302.db2.gz UCWAIOVUTCPSST-APWZRJJASA-N 2 0 316.489 3.748 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CSc2ccccc2)C1 ZINC000248137167 1030717930 /nfs/dbraw/zinc/71/79/30/1030717930.db2.gz XTAVUCSNXDFGMY-SJORKVTESA-N 2 0 304.503 3.585 20 0 DHADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCCCC[NH+]2CCCC2)nc1 ZINC000926488208 1030761990 /nfs/dbraw/zinc/76/19/90/1030761990.db2.gz WRUOKEOPUDZQFR-AZUAARDMSA-N 2 0 315.505 3.649 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248887255 1030772952 /nfs/dbraw/zinc/77/29/52/1030772952.db2.gz MNJUDTGFVOSZBU-LPHOPBHVSA-N 2 0 301.478 3.643 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926518093 1030780703 /nfs/dbraw/zinc/78/07/03/1030780703.db2.gz HLDURJKBIDLBBH-WMZOPIPTSA-N 2 0 316.489 3.748 20 0 DHADRP Cc1cncc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962168 1030781181 /nfs/dbraw/zinc/78/11/81/1030781181.db2.gz RFVHYPLXRCNBQD-GHTZIAJQSA-N 2 0 323.484 3.875 20 0 DHADRP CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000926523706 1030782801 /nfs/dbraw/zinc/78/28/01/1030782801.db2.gz HGDKCJHLVFSRGD-ABSDTBQOSA-N 2 0 318.505 3.850 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C2CCC(OC(F)F)CC2)CC1 ZINC000926543309 1030790469 /nfs/dbraw/zinc/79/04/69/1030790469.db2.gz KNTRPBQTYLEAPO-UHFFFAOYSA-N 2 0 318.452 3.637 20 0 DHADRP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C1CCCC1 ZINC000926572057 1030799715 /nfs/dbraw/zinc/79/97/15/1030799715.db2.gz CVXYHAVOUYJZHH-XVLXNVKGSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573577 1030804480 /nfs/dbraw/zinc/80/44/80/1030804480.db2.gz NTUNMFKHUSUWMO-HOTGVXAUSA-N 2 0 313.445 3.724 20 0 DHADRP c1ccc([C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CCC2)nc1 ZINC000926731511 1030893380 /nfs/dbraw/zinc/89/33/80/1030893380.db2.gz JAHOFKGAHDKEJG-FQEVSTJZSA-N 2 0 313.489 3.634 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161584250 1030930977 /nfs/dbraw/zinc/93/09/77/1030930977.db2.gz AKLYCKXNPHXZBA-KEYYUXOJSA-N 2 0 306.881 3.690 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnn(C2CCC2)c1 ZINC000926796675 1030932353 /nfs/dbraw/zinc/93/23/53/1030932353.db2.gz LBOKJQROSLTVDX-MXWWQKGMSA-N 2 0 304.482 3.522 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926798817 1030935286 /nfs/dbraw/zinc/93/52/86/1030935286.db2.gz XVOHSLCPINUMOM-PBPGXSGUSA-N 3 0 317.521 3.662 20 0 DHADRP Cc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc2cccnc12 ZINC000359455372 1030977644 /nfs/dbraw/zinc/97/76/44/1030977644.db2.gz IVPPBCKAIPEFTL-UHFFFAOYSA-N 2 0 319.452 3.894 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000927009382 1031030099 /nfs/dbraw/zinc/03/00/99/1031030099.db2.gz CMXZAPFAERDFIF-XBMUEBEBSA-N 2 0 320.521 3.865 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038537 1031047076 /nfs/dbraw/zinc/04/70/76/1031047076.db2.gz PGXVWRUJYYXACI-UQHVZDHRSA-N 2 0 305.466 3.603 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CCC2)cc1 ZINC000927067366 1031064663 /nfs/dbraw/zinc/06/46/63/1031064663.db2.gz PTWBHIZYASROAK-FQEVSTJZSA-N 2 0 316.489 3.999 20 0 DHADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000162222781 1031067481 /nfs/dbraw/zinc/06/74/81/1031067481.db2.gz VFYHOMAGANLYAR-IFXJQAMLSA-N 2 0 315.461 3.628 20 0 DHADRP C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000927068221 1031069004 /nfs/dbraw/zinc/06/90/04/1031069004.db2.gz FYEGPNYGCZOJFY-YSSFQJQWSA-N 2 0 316.489 3.604 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000261978373 1031084309 /nfs/dbraw/zinc/08/43/09/1031084309.db2.gz GXYYAPLMTAOLSR-UHFFFAOYSA-N 2 0 317.864 3.710 20 0 DHADRP Brc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262121408 1031096358 /nfs/dbraw/zinc/09/63/58/1031096358.db2.gz CCNCGPYKLYVURY-MRXNPFEDSA-N 2 0 323.278 3.586 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2OCCc3ccccc32)CC1 ZINC000927114783 1031098197 /nfs/dbraw/zinc/09/81/97/1031098197.db2.gz FRUCMYZRYACUST-LJQANCHMSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000927164518 1031126004 /nfs/dbraw/zinc/12/60/04/1031126004.db2.gz XIAJXJWTLLZQLG-QRQLOZEOSA-N 2 0 320.521 3.721 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000123479295 1031134947 /nfs/dbraw/zinc/13/49/47/1031134947.db2.gz AIGBYNDIGLYFIB-MSOLQXFVSA-N 2 0 308.510 3.577 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000359911567 1031192746 /nfs/dbraw/zinc/19/27/46/1031192746.db2.gz NXLONKABOUBSIF-IXDOHACOSA-N 2 0 304.478 3.574 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000359936303 1031207886 /nfs/dbraw/zinc/20/78/86/1031207886.db2.gz RCNRRXCSGOPPTP-PXNSSMCTSA-N 2 0 318.505 3.679 20 0 DHADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C2)CC1 ZINC001171134899 1031220301 /nfs/dbraw/zinc/22/03/01/1031220301.db2.gz HJYSMHQHFQKWFO-SFHVURJKSA-N 2 0 318.892 3.615 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccnc(Cl)c1 ZINC000123672087 1031233158 /nfs/dbraw/zinc/23/31/58/1031233158.db2.gz BEWIGCHZKAPKOQ-ZDUSSCGKSA-N 2 0 303.837 3.647 20 0 DHADRP COc1ccc([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421843679 1031281564 /nfs/dbraw/zinc/28/15/64/1031281564.db2.gz REIUTRJXCLVAOV-GOSISDBHSA-N 2 0 320.452 3.607 20 0 DHADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171148192 1031300524 /nfs/dbraw/zinc/30/05/24/1031300524.db2.gz OPFWLRAAQNMESC-GFCCVEGCSA-N 2 0 315.288 3.956 20 0 DHADRP CC(C)N1CCc2nc(C[N@H+](C)[C@@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036738 1031360889 /nfs/dbraw/zinc/36/08/89/1031360889.db2.gz YNQHDRCYGLWROS-ZIAGYGMSSA-N 2 0 307.507 3.530 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(C)C)cc2)C[C@H]1C ZINC000536658524 1031361770 /nfs/dbraw/zinc/36/17/70/1031361770.db2.gz BVJRZSYJNYNNKR-AEFFLSMTSA-N 2 0 304.478 3.778 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1C ZINC000536682276 1031378853 /nfs/dbraw/zinc/37/88/53/1031378853.db2.gz BZPHDBFTMYTRLY-CRAIPNDOSA-N 2 0 316.489 3.705 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)[C@H]1CCCOC1 ZINC000872018714 1031401230 /nfs/dbraw/zinc/40/12/30/1031401230.db2.gz PBOZUOZJGMSAKG-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(O)c1F ZINC000872021278 1031402343 /nfs/dbraw/zinc/40/23/43/1031402343.db2.gz AENNMZJOMYHOGD-OAHLLOKOSA-N 2 0 308.441 3.694 20 0 DHADRP COc1ccccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000536697128 1031404678 /nfs/dbraw/zinc/40/46/78/1031404678.db2.gz KVDFQACUVQAWCK-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872023125 1031405891 /nfs/dbraw/zinc/40/58/91/1031405891.db2.gz PBXVDFLWGVXUAR-MSOLQXFVSA-N 2 0 308.510 3.722 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872024250 1031408615 /nfs/dbraw/zinc/40/86/15/1031408615.db2.gz ZQGHCRKWUZSSEQ-ZWKOTPCHSA-N 2 0 308.510 3.580 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@H]1CCCOC1 ZINC000872028095 1031411859 /nfs/dbraw/zinc/41/18/59/1031411859.db2.gz NQOWCPMPRINOCO-VQTJNVASSA-N 2 0 318.505 3.822 20 0 DHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000872041080 1031425082 /nfs/dbraw/zinc/42/50/82/1031425082.db2.gz FYIJTVCIZMNRLB-VLOYRQLPSA-N 2 0 322.537 3.967 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)CC ZINC000872048090 1031435760 /nfs/dbraw/zinc/43/57/60/1031435760.db2.gz GWNKRNONYVLZAC-BZSNNMDCSA-N 2 0 310.526 3.559 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCCOC1 ZINC000872053183 1031440924 /nfs/dbraw/zinc/44/09/24/1031440924.db2.gz TWCCZAGZUGYLKD-FVELJTHGSA-N 2 0 322.537 3.824 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C(C)C)cc1 ZINC000536949076 1031480812 /nfs/dbraw/zinc/48/08/12/1031480812.db2.gz LNEADWRKLZFDSU-APWZRJJASA-N 2 0 304.478 3.714 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000537017057 1031483881 /nfs/dbraw/zinc/48/38/81/1031483881.db2.gz GRUACDOUBNAWLY-HIFRSBDPSA-N 2 0 312.404 3.813 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872090571 1031487242 /nfs/dbraw/zinc/48/72/42/1031487242.db2.gz CAYOGWYNZKUXRY-MSOLQXFVSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000536998184 1031487537 /nfs/dbraw/zinc/48/75/37/1031487537.db2.gz IYZVVESSAMLKOT-HNAYVOBHSA-N 2 0 304.453 3.987 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(O)c2F)CC1 ZINC000872091257 1031488220 /nfs/dbraw/zinc/48/82/20/1031488220.db2.gz HOXMXLUCBWHXMC-AWEZNQCLSA-N 2 0 308.441 3.692 20 0 DHADRP Cc1sccc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000293500102 1031491914 /nfs/dbraw/zinc/49/19/14/1031491914.db2.gz HHIFTEHDOYXIHG-UHFFFAOYSA-N 2 0 318.486 3.677 20 0 DHADRP COCC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000872105770 1031496590 /nfs/dbraw/zinc/49/65/90/1031496590.db2.gz LTWHIMQQWRWTQR-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP COCC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000872105769 1031496691 /nfs/dbraw/zinc/49/66/91/1031496691.db2.gz LTWHIMQQWRWTQR-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537180638 1031523197 /nfs/dbraw/zinc/52/31/97/1031523197.db2.gz KYIDGJHKMWZYJT-UYAOXDASSA-N 2 0 302.506 3.919 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537180637 1031525544 /nfs/dbraw/zinc/52/55/44/1031525544.db2.gz KYIDGJHKMWZYJT-QUCCMNQESA-N 2 0 302.506 3.919 20 0 DHADRP C[C@@H]([NH2+]CCCC1CC[NH2+]CC1)c1ccc(C(F)(F)F)nc1 ZINC000872154804 1031535674 /nfs/dbraw/zinc/53/56/74/1031535674.db2.gz ATHCHZGOUMBLOV-GFCCVEGCSA-N 2 0 315.383 3.531 20 0 DHADRP Cc1oc(-c2ccsc2)nc1C[N@H+](C)CCCCCC[NH3+] ZINC000872155860 1031535736 /nfs/dbraw/zinc/53/57/36/1031535736.db2.gz YRNOFXZWAHKHNM-UHFFFAOYSA-N 2 0 307.463 3.662 20 0 DHADRP Cc1cnccc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158092 1031539572 /nfs/dbraw/zinc/53/95/72/1031539572.db2.gz SKPIUGOEXHJQAQ-QFBILLFUSA-N 2 0 301.478 3.510 20 0 DHADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1)C1CCCC1 ZINC000872157450 1031539893 /nfs/dbraw/zinc/53/98/93/1031539893.db2.gz OQLCWIVDGIZEQY-YOEHRIQHSA-N 2 0 317.477 3.672 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000537342605 1031578436 /nfs/dbraw/zinc/57/84/36/1031578436.db2.gz GKLMJNPNDYXWAR-UHFFFAOYSA-N 2 0 316.445 3.906 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360838353 1031583288 /nfs/dbraw/zinc/58/32/88/1031583288.db2.gz UELSNGOVZIXTQE-FUHIMQAGSA-N 2 0 315.505 3.880 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCCC1 ZINC000360885290 1031603385 /nfs/dbraw/zinc/60/33/85/1031603385.db2.gz UOKPCLKFLWJGCP-SFHVURJKSA-N 2 0 301.478 3.634 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000777843495 1031637665 /nfs/dbraw/zinc/63/76/65/1031637665.db2.gz TZMJTMCWYPIZFT-CZUORRHYSA-N 2 0 301.821 3.930 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc3ncccc23)c1 ZINC000873009140 1031691137 /nfs/dbraw/zinc/69/11/37/1031691137.db2.gz UHRSOOTUPZCZKQ-UHFFFAOYSA-N 2 0 305.425 3.586 20 0 DHADRP CC[C@](C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(F)cc1 ZINC000873214450 1031761510 /nfs/dbraw/zinc/76/15/10/1031761510.db2.gz FZVMRJDFHRKSBA-SFHVURJKSA-N 2 0 318.461 3.948 20 0 DHADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000873222851 1031765456 /nfs/dbraw/zinc/76/54/56/1031765456.db2.gz DBJWACYAQVKJRF-GOSISDBHSA-N 2 0 321.534 3.998 20 0 DHADRP CC(C)Cc1ncc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232901 1031766997 /nfs/dbraw/zinc/76/69/97/1031766997.db2.gz QRMLCXJCQIIGEP-INIZCTEOSA-N 2 0 321.534 3.744 20 0 DHADRP c1ccc2c(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)ccnc2c1 ZINC000873232309 1031767643 /nfs/dbraw/zinc/76/76/43/1031767643.db2.gz DZBCFXDWAPNNBZ-LJQANCHMSA-N 2 0 309.457 3.637 20 0 DHADRP c1cc2cc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)ccc2cn1 ZINC000873232303 1031767657 /nfs/dbraw/zinc/76/76/57/1031767657.db2.gz DXLASDNLOCUDEA-IBGZPJMESA-N 2 0 309.457 3.637 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC000873251630 1031774313 /nfs/dbraw/zinc/77/43/13/1031774313.db2.gz LJOCTMFNVJVLPX-BJKJVOPESA-N 2 0 310.363 3.866 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H]3C[C@@H]([NH3+])C3)cs2)cs1 ZINC000873254544 1031774498 /nfs/dbraw/zinc/77/44/98/1031774498.db2.gz WMDUHROXBJPNQT-XWIASGKRSA-N 2 0 307.488 3.568 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000873252204 1031775060 /nfs/dbraw/zinc/77/50/60/1031775060.db2.gz QAZTVPGKUULXQS-MDASCCDHSA-N 2 0 316.395 3.576 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H]3C[C@@H]([NH3+])C3)cs2)cs1 ZINC000873254543 1031775116 /nfs/dbraw/zinc/77/51/16/1031775116.db2.gz WMDUHROXBJPNQT-XHVZSJERSA-N 2 0 307.488 3.568 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc2cc(Br)ccc2o1 ZINC000873255760 1031775825 /nfs/dbraw/zinc/77/58/25/1031775825.db2.gz JWBFNUBLDXQMIK-GIPNMCIBSA-N 2 0 323.234 3.583 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253664 1031775899 /nfs/dbraw/zinc/77/58/99/1031775899.db2.gz BSOHVDSCLQUXSI-ITDIGPHOSA-N 2 0 319.449 3.646 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000873259234 1031776367 /nfs/dbraw/zinc/77/63/67/1031776367.db2.gz AFULRLBFWGJNFG-AVRGHOLYSA-N 2 0 312.379 3.887 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000873258625 1031776412 /nfs/dbraw/zinc/77/64/12/1031776412.db2.gz SNHSHLZPDFFRAN-QITLCBANSA-N 2 0 318.823 3.895 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258183 1031777508 /nfs/dbraw/zinc/77/75/08/1031777508.db2.gz XNLBMVDPRWINQP-BPNCWPANSA-N 2 0 301.261 3.641 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873265217 1031779919 /nfs/dbraw/zinc/77/99/19/1031779919.db2.gz LEPWGSIDPMPJGT-OLZOCXBDSA-N 2 0 312.404 3.635 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCS2 ZINC000873260200 1031779930 /nfs/dbraw/zinc/77/99/30/1031779930.db2.gz VCVZGHKNOVBNDM-AEIGPULVSA-N 2 0 322.905 3.997 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873259798 1031780201 /nfs/dbraw/zinc/78/02/01/1031780201.db2.gz LOARGDGLCIQRGO-APIJFGDWSA-N 2 0 324.415 3.778 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1sccc1Br ZINC000873267758 1031781137 /nfs/dbraw/zinc/78/11/37/1031781137.db2.gz JBJCRBCFOGCGED-NXEZZACHSA-N 2 0 317.296 3.549 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C1CC[NH2+]CC1 ZINC000873267815 1031781486 /nfs/dbraw/zinc/78/14/86/1031781486.db2.gz KDHWDMZXASWROS-JKSUJKDBSA-N 2 0 309.457 3.787 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCCO2 ZINC000873265795 1031782587 /nfs/dbraw/zinc/78/25/87/1031782587.db2.gz XUGKHGTUYQBOKC-ZWQIFLOQSA-N 2 0 314.473 3.583 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000873271013 1031784270 /nfs/dbraw/zinc/78/42/70/1031784270.db2.gz CMQUEVJNEDBADT-UONOGXRCSA-N 2 0 315.486 3.849 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)C1CC[NH2+]CC1 ZINC000873272169 1031784523 /nfs/dbraw/zinc/78/45/23/1031784523.db2.gz PYFYCNXAANQUBR-LRDDRELGSA-N 2 0 308.853 3.531 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000873271769 1031785201 /nfs/dbraw/zinc/78/52/01/1031785201.db2.gz KXEAJKRGKSXSKP-JKSUJKDBSA-N 2 0 309.457 3.787 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873273223 1031785246 /nfs/dbraw/zinc/78/52/46/1031785246.db2.gz ZIXANSDTUQRKOA-STQMWFEESA-N 2 0 310.869 3.696 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272385 1031785368 /nfs/dbraw/zinc/78/53/68/1031785368.db2.gz UBDKRGAGNNMDTF-NWDGAFQWSA-N 2 0 309.523 3.788 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000846176972 1031912375 /nfs/dbraw/zinc/91/23/75/1031912375.db2.gz KQAKPSWGXALLQY-FQEVSTJZSA-N 2 0 318.505 3.722 20 0 DHADRP Cc1ncccc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000898254662 1032004142 /nfs/dbraw/zinc/00/41/42/1032004142.db2.gz FLRJVLMGXJNTDU-UZLBHIALSA-N 2 0 315.505 3.565 20 0 DHADRP Cc1ncccc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000898254661 1032004731 /nfs/dbraw/zinc/00/47/31/1032004731.db2.gz FLRJVLMGXJNTDU-OXQOHEQNSA-N 2 0 315.505 3.565 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044516873 1032051151 /nfs/dbraw/zinc/05/11/51/1032051151.db2.gz VOEBKJVZMCTRDX-GFCCVEGCSA-N 2 0 309.523 3.741 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000044515453 1032051346 /nfs/dbraw/zinc/05/13/46/1032051346.db2.gz SPIINIYAWZDOMD-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535403 1032053572 /nfs/dbraw/zinc/05/35/72/1032053572.db2.gz SHKPJZTVMIERQH-QWHCGFSZSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(OC(F)F)c1 ZINC000539219473 1033300626 /nfs/dbraw/zinc/30/06/26/1033300626.db2.gz NJLZSHMJSXDVDS-UKRRQHHQSA-N 2 0 312.404 3.813 20 0 DHADRP CC1(C)CC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC(C)(C)O1 ZINC001172652299 1033304954 /nfs/dbraw/zinc/30/49/54/1033304954.db2.gz OTTIHDGQBZTELL-UHFFFAOYSA-N 2 0 308.510 3.719 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172653707 1033305227 /nfs/dbraw/zinc/30/52/27/1033305227.db2.gz MZSPGDNWNREWIL-UHFFFAOYSA-N 2 0 310.526 3.965 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000877492110 1033323278 /nfs/dbraw/zinc/32/32/78/1033323278.db2.gz RPXIGLSKCCEJQR-QHGAOEGBSA-N 2 0 316.489 3.588 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716935 1033325201 /nfs/dbraw/zinc/32/52/01/1033325201.db2.gz UNJNIGJBUKRWDE-ZTUNLMCQSA-N 2 0 306.881 3.517 20 0 DHADRP C1CCC2(C1)CCC([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)CC2 ZINC001172728046 1033332984 /nfs/dbraw/zinc/33/29/84/1033332984.db2.gz VYYVWKRUMUNDCG-UAPYVXQJSA-N 2 0 320.521 3.722 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000643522262 1033338717 /nfs/dbraw/zinc/33/87/17/1033338717.db2.gz KOSLKLAYIVTBQV-XYJFISCASA-N 2 0 320.452 3.592 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(N2CCCC2)c1 ZINC000539380450 1033339189 /nfs/dbraw/zinc/33/91/89/1033339189.db2.gz SONGWYUYMLTNNV-IEBWSBKVSA-N 2 0 315.505 3.812 20 0 DHADRP CC(C)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(F)c1 ZINC001168360238 1033342357 /nfs/dbraw/zinc/34/23/57/1033342357.db2.gz LVXMLTBKKFPCFA-IBGZPJMESA-N 2 0 304.453 3.987 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172708569 1033343626 /nfs/dbraw/zinc/34/36/26/1033343626.db2.gz ANAMUADNYFHTJR-SFHVURJKSA-N 2 0 306.881 3.517 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877568359 1033361798 /nfs/dbraw/zinc/36/17/98/1033361798.db2.gz LYACVZKYPUMOGM-UHFFFAOYSA-N 2 0 309.841 3.691 20 0 DHADRP C[C@@H]1[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000477929355 1033370064 /nfs/dbraw/zinc/37/00/64/1033370064.db2.gz RERZBQKWMQHSOL-WDSOQIARSA-N 2 0 300.490 3.890 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CC2 ZINC001172833300 1033396488 /nfs/dbraw/zinc/39/64/88/1033396488.db2.gz XLZIWPJOYOADBD-VQIMIIECSA-N 2 0 302.506 3.843 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001172831791 1033396730 /nfs/dbraw/zinc/39/67/30/1033396730.db2.gz PHPXTRAAQDGMFR-HXUWFJFHSA-N 2 0 321.468 3.506 20 0 DHADRP CC[C@H]1C[C@@H](C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)CCO1 ZINC000877675058 1033407996 /nfs/dbraw/zinc/40/79/96/1033407996.db2.gz VBMAJCJGEDVGAL-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877698484 1033415956 /nfs/dbraw/zinc/41/59/56/1033415956.db2.gz XOIUCXCRWODTIA-UHFFFAOYSA-N 2 0 309.885 3.522 20 0 DHADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711433 1033420452 /nfs/dbraw/zinc/42/04/52/1033420452.db2.gz JBQPYSKNCMDNGP-CNOBXHMMSA-N 2 0 318.442 3.562 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1C[NH3+] ZINC001172851516 1033420765 /nfs/dbraw/zinc/42/07/65/1033420765.db2.gz KAVHRSQVTKOMPG-LBPRGKRZSA-N 2 0 306.812 3.659 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711565 1033421020 /nfs/dbraw/zinc/42/10/20/1033421020.db2.gz PEMAQCQWXFDBNW-DMKPSLHHSA-N 2 0 304.478 3.566 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172852940 1033421794 /nfs/dbraw/zinc/42/17/94/1033421794.db2.gz WHLMHCLKLGRYEX-RDBSUJKOSA-N 2 0 312.860 3.873 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000152676100 1033427234 /nfs/dbraw/zinc/42/72/34/1033427234.db2.gz XZYWGBJEYCVZLM-DNVCBOLYSA-N 2 0 306.469 3.713 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001172872504 1033442677 /nfs/dbraw/zinc/44/26/77/1033442677.db2.gz BTCZWIDTPAUOOA-LLVKDONJSA-N 2 0 300.899 3.926 20 0 DHADRP CC[C@H]1C[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795120 1033452947 /nfs/dbraw/zinc/45/29/47/1033452947.db2.gz ZZNUOVCCNYYOPP-MSOLQXFVSA-N 2 0 308.510 3.532 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795123 1033453840 /nfs/dbraw/zinc/45/38/40/1033453840.db2.gz ZZNUOVCCNYYOPP-ZWKOTPCHSA-N 2 0 308.510 3.532 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC34CC[NH2+]CC4)c(C)c2c1 ZINC000643535475 1033465641 /nfs/dbraw/zinc/46/56/41/1033465641.db2.gz MRUKSUPDXCZKTN-SUMWQHHRSA-N 2 0 314.429 3.543 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172918758 1033467273 /nfs/dbraw/zinc/46/72/73/1033467273.db2.gz MQJHTIOSZJGTCR-PKOBYXMFSA-N 2 0 308.510 3.578 20 0 DHADRP c1ccc(C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536834 1033472135 /nfs/dbraw/zinc/47/21/35/1033472135.db2.gz WWOGTIJIDZKNPV-UXHICEINSA-N 2 0 306.453 3.702 20 0 DHADRP Cc1cccc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2cccc(F)c2)c1 ZINC000643536215 1033475593 /nfs/dbraw/zinc/47/55/93/1033475593.db2.gz OIWPUYSBNZPFNO-VQTJNVASSA-N 2 0 324.443 3.955 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536370 1033476287 /nfs/dbraw/zinc/47/62/87/1033476287.db2.gz TYQXZLPXLZSONT-VQTJNVASSA-N 2 0 306.453 3.816 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC001172938567 1033477485 /nfs/dbraw/zinc/47/74/85/1033477485.db2.gz LYPNKRDDGZYYEZ-VQTJNVASSA-N 2 0 316.489 3.540 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C[C@@](C)(C[NH3+])C1 ZINC001173041966 1033506750 /nfs/dbraw/zinc/50/67/50/1033506750.db2.gz PXQAYZCWDCPRBC-PKOBYXMFSA-N 2 0 322.537 3.859 20 0 DHADRP C[C@@H](C[NH2+]C1CCC2(CCOCC2)CC1)CC(C)(C)CC[NH3+] ZINC001173042833 1033507289 /nfs/dbraw/zinc/50/72/89/1033507289.db2.gz NOHDYBLMINLAAB-MRXNPFEDSA-N 2 0 310.526 3.717 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000152384274 1033516742 /nfs/dbraw/zinc/51/67/42/1033516742.db2.gz WHOUFECTGYEPEG-ZIAGYGMSSA-N 2 0 324.415 3.731 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC001173101837 1033540088 /nfs/dbraw/zinc/54/00/88/1033540088.db2.gz OEDCKCKDPOWFSI-JTTJXQCZSA-N 2 0 320.452 3.892 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC001173102379 1033540975 /nfs/dbraw/zinc/54/09/75/1033540975.db2.gz WOUZUYHNIMCOCM-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001173104825 1033542553 /nfs/dbraw/zinc/54/25/53/1033542553.db2.gz XALPYGLXQANWQA-GMNCBBECSA-N 2 0 304.453 3.924 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](CN(C)C)c2ccccc2)CC1 ZINC001173105379 1033542683 /nfs/dbraw/zinc/54/26/83/1033542683.db2.gz RYKJVOMRAVQCNS-SOAGJPPSSA-N 2 0 317.521 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)c2ccccc2Cl)CC1 ZINC001173106293 1033542813 /nfs/dbraw/zinc/54/28/13/1033542813.db2.gz LJWDMTMRLNISPR-JTTJXQCZSA-N 2 0 324.896 3.616 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(CC3CC3)CCOCC2)CC1 ZINC001173106253 1033543114 /nfs/dbraw/zinc/54/31/14/1033543114.db2.gz KKRVQPYQGZEJEJ-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(c3ccccc3OC)CC2)CC1 ZINC001173107592 1033544839 /nfs/dbraw/zinc/54/48/39/1033544839.db2.gz YBGNOEQQHZKKNQ-UHFFFAOYSA-N 2 0 316.489 3.927 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2([C@H]3CCOC(C)(C)C3)CC2)CC1 ZINC001173108208 1033545451 /nfs/dbraw/zinc/54/54/51/1033545451.db2.gz GEKFYQKKJOZMFR-AOCRQIFASA-N 2 0 322.537 3.967 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC001173110405 1033545467 /nfs/dbraw/zinc/54/54/67/1033545467.db2.gz NPJWCMKCBSPYOY-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001173112363 1033547622 /nfs/dbraw/zinc/54/76/22/1033547622.db2.gz WHEOLEXAHBUQBE-AOCRQIFASA-N 2 0 301.478 3.524 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2ncccc2F)C2CC2)CC1 ZINC001173110712 1033548318 /nfs/dbraw/zinc/54/83/18/1033548318.db2.gz SCHQLDDXZSOJDY-LEOMRAHMSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001173111295 1033548748 /nfs/dbraw/zinc/54/87/48/1033548748.db2.gz BBADDXSPHNAWAC-ACBHZAAOSA-N 2 0 301.478 3.872 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001173111968 1033548854 /nfs/dbraw/zinc/54/88/54/1033548854.db2.gz OKDMGFXVGGCCML-FAFZWHIHSA-N 2 0 301.478 3.872 20 0 DHADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878119876 1033587566 /nfs/dbraw/zinc/58/75/66/1033587566.db2.gz CROCIBQWFUCPHN-CVEARBPZSA-N 2 0 300.437 3.762 20 0 DHADRP CCC[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173197483 1033589442 /nfs/dbraw/zinc/58/94/42/1033589442.db2.gz FREXGXFIKUKMJE-UHFFFAOYSA-N 2 0 316.489 3.841 20 0 DHADRP CCCC[C@H](CC(C)C)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001173257638 1033629949 /nfs/dbraw/zinc/62/99/49/1033629949.db2.gz KKJGEXXUYOVEOY-LJQANCHMSA-N 2 0 311.558 3.551 20 0 DHADRP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C1 ZINC001173270212 1033640010 /nfs/dbraw/zinc/64/00/10/1033640010.db2.gz MJCZELAHZPVDKH-YJBOKZPZSA-N 2 0 304.453 3.740 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C1 ZINC001173270207 1033640957 /nfs/dbraw/zinc/64/09/57/1033640957.db2.gz MJCZELAHZPVDKH-CRAIPNDOSA-N 2 0 304.453 3.740 20 0 DHADRP CCSC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001173305487 1033658879 /nfs/dbraw/zinc/65/88/79/1033658879.db2.gz VOWKXXQHEAABRT-QXAKKESOSA-N 2 0 318.530 3.500 20 0 DHADRP CCSC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001173311915 1033666445 /nfs/dbraw/zinc/66/64/45/1033666445.db2.gz QZYALOFAHAHZLK-MJGOQNOKSA-N 2 0 318.530 3.726 20 0 DHADRP CC[C@@H]1CC[C@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)C1 ZINC001173277952 1033667891 /nfs/dbraw/zinc/66/78/91/1033667891.db2.gz WDALEPAQTVWQML-HVHHGIHYSA-N 2 0 320.461 3.701 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411394 1033693508 /nfs/dbraw/zinc/69/35/08/1033693508.db2.gz JFECUHBEMCTPRE-BBWFWOEESA-N 2 0 322.537 3.823 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411375 1033695187 /nfs/dbraw/zinc/69/51/87/1033695187.db2.gz IPVSSHGZDDXBPZ-LZLYRXPVSA-N 2 0 308.510 3.577 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344938 1033701236 /nfs/dbraw/zinc/70/12/36/1033701236.db2.gz PUFGQMWIYRPZAH-BZSNNMDCSA-N 2 0 320.521 3.850 20 0 DHADRP COc1ccc([C@@H](C)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000553469652 1033702114 /nfs/dbraw/zinc/70/21/14/1033702114.db2.gz YJFDUPADOIAORH-KRWDZBQOSA-N 2 0 318.505 3.851 20 0 DHADRP CC(C)COc1cccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000553512262 1033720483 /nfs/dbraw/zinc/72/04/83/1033720483.db2.gz BIBZWRDZUPRJFD-IBGZPJMESA-N 2 0 316.489 3.639 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)CN1C1CC1 ZINC000479430454 1033758434 /nfs/dbraw/zinc/75/84/34/1033758434.db2.gz XOTFPTFCTPCHLG-UKRRQHHQSA-N 2 0 308.416 3.502 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001173544009 1033763528 /nfs/dbraw/zinc/76/35/28/1033763528.db2.gz PUTGQNGYDAXDJM-GXTWGEPZSA-N 2 0 315.288 3.856 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479540365 1033801192 /nfs/dbraw/zinc/80/11/92/1033801192.db2.gz JIUMSEBRWQMHCE-MHJFOBGBSA-N 2 0 318.480 3.999 20 0 DHADRP CC[NH+]1C[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@H]2C1 ZINC001173690894 1033835448 /nfs/dbraw/zinc/83/54/48/1033835448.db2.gz CJLQDPXJFSZQJV-NDUMYTTKSA-N 2 0 324.512 3.697 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2OC ZINC000479752135 1033887596 /nfs/dbraw/zinc/88/75/96/1033887596.db2.gz UGEMSXAOCXTNRM-YJBOKZPZSA-N 2 0 304.478 3.783 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000479752127 1033888489 /nfs/dbraw/zinc/88/84/89/1033888489.db2.gz UGEMSXAOCXTNRM-CRAIPNDOSA-N 2 0 304.478 3.783 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCCCC2 ZINC000119053082 1033918191 /nfs/dbraw/zinc/91/81/91/1033918191.db2.gz VXPWAAIJZMNUBT-MOPGFXCFSA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)Oc1ccccc1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001137140735 1033922954 /nfs/dbraw/zinc/92/29/54/1033922954.db2.gz NYPNMSXHQMAAAL-UHFFFAOYSA-N 2 0 304.478 3.778 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000174629498 1033947402 /nfs/dbraw/zinc/94/74/02/1033947402.db2.gz LXCCQYDKTJXFBA-DOMZBBRYSA-N 2 0 300.368 3.525 20 0 DHADRP COCC[C@H](c1ccccc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249823 1033963825 /nfs/dbraw/zinc/96/38/25/1033963825.db2.gz CEINIMSWHPZQSO-LJQANCHMSA-N 2 0 316.489 3.572 20 0 DHADRP CCCCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000127863287 1034054799 /nfs/dbraw/zinc/05/47/99/1034054799.db2.gz PXZQMGUBGPPREB-ICSRJNTNSA-N 2 0 317.521 3.534 20 0 DHADRP CCCC[C@H](COC)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000480273739 1034162474 /nfs/dbraw/zinc/16/24/74/1034162474.db2.gz KOGYUEYTANSQAH-LJQANCHMSA-N 2 0 304.478 3.577 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000177733311 1034180150 /nfs/dbraw/zinc/18/01/50/1034180150.db2.gz IXSHGJMDFUBCLC-GFCCVEGCSA-N 2 0 303.475 3.672 20 0 DHADRP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000480335568 1034193897 /nfs/dbraw/zinc/19/38/97/1034193897.db2.gz OGTSTYSEYUPGNG-ZDUSSCGKSA-N 2 0 302.384 3.959 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000480335567 1034195568 /nfs/dbraw/zinc/19/55/68/1034195568.db2.gz OGTSTYSEYUPGNG-CYBMUJFWSA-N 2 0 302.384 3.959 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000178172585 1034216022 /nfs/dbraw/zinc/21/60/22/1034216022.db2.gz XIWBKQVWSBDFRD-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccncc3s2)C[C@@H]1C ZINC000667664808 1034216425 /nfs/dbraw/zinc/21/64/25/1034216425.db2.gz SXTCWELCGFXOIY-DZGCQCFKSA-N 2 0 303.475 3.601 20 0 DHADRP Cc1ccc(C[C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000554584907 1034228696 /nfs/dbraw/zinc/22/86/96/1034228696.db2.gz SMCPPWXESNSCBV-FQEVSTJZSA-N 2 0 300.490 3.735 20 0 DHADRP CCOc1ccc(CN2CC[C@H](C[NH+](CC)CC)C2)c(C)c1 ZINC000667673115 1034241456 /nfs/dbraw/zinc/24/14/56/1034241456.db2.gz RDQCPOFIAPVPOF-QGZVFWFLSA-N 2 0 304.478 3.557 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000880255672 1034267060 /nfs/dbraw/zinc/26/70/60/1034267060.db2.gz UKWGABGSWDTGEE-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP COc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000480604463 1034346849 /nfs/dbraw/zinc/34/68/49/1034346849.db2.gz ABNNHKVDHASOHP-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000480603509 1034346886 /nfs/dbraw/zinc/34/68/86/1034346886.db2.gz WDZSPNJZVWKSPL-MJGOQNOKSA-N 2 0 322.537 3.921 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(CO)c1 ZINC000183212202 1034364056 /nfs/dbraw/zinc/36/40/56/1034364056.db2.gz PWZNCMYHAPVIHC-KRWDZBQOSA-N 2 0 324.468 3.626 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480693633 1034396734 /nfs/dbraw/zinc/39/67/34/1034396734.db2.gz DFHYGPMSFAEWFR-XMTFNYHQSA-N 2 0 318.505 3.678 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CCc2ccccc2)C(C)C)C1 ZINC000481016741 1034550547 /nfs/dbraw/zinc/55/05/47/1034550547.db2.gz BITXTXRVNABKRP-VQTJNVASSA-N 2 0 302.506 3.965 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481026884 1034559802 /nfs/dbraw/zinc/55/98/02/1034559802.db2.gz USUDYNHQRXQPLR-VQTJNVASSA-N 2 0 302.506 3.884 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000481039648 1034566770 /nfs/dbraw/zinc/56/67/70/1034566770.db2.gz NIAKXGNGLVZQPH-SFHVURJKSA-N 2 0 310.526 3.778 20 0 DHADRP Cc1cccc(CCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000481108710 1034598582 /nfs/dbraw/zinc/59/85/82/1034598582.db2.gz NSYDRIZMOJSASH-FQEVSTJZSA-N 2 0 300.490 3.878 20 0 DHADRP Cc1cccc(CCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000481120578 1034604311 /nfs/dbraw/zinc/60/43/11/1034604311.db2.gz SIZAZEMSZHGZHA-FQEVSTJZSA-N 2 0 300.490 3.591 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865450565 1034654494 /nfs/dbraw/zinc/65/44/94/1034654494.db2.gz RGASWZQJAUOAPF-HNNXBMFYSA-N 2 0 315.436 3.584 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000187387742 1034705550 /nfs/dbraw/zinc/70/55/50/1034705550.db2.gz VFIKHYRHWMUFIH-SFHVURJKSA-N 2 0 311.473 3.707 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)C1 ZINC000187791700 1034733043 /nfs/dbraw/zinc/73/30/43/1034733043.db2.gz UHUVJRFHCLJDPQ-WMLDXEAASA-N 2 0 320.502 3.554 20 0 DHADRP Fc1cccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC001168365882 1034826590 /nfs/dbraw/zinc/82/65/90/1034826590.db2.gz ZRWVRBAPKDIJBV-IBGZPJMESA-N 2 0 302.437 3.741 20 0 DHADRP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000193290452 1034839188 /nfs/dbraw/zinc/83/91/88/1034839188.db2.gz RYQJTEIJJGKBIG-HNNXBMFYSA-N 2 0 317.477 3.517 20 0 DHADRP Clc1ccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157350875 1034863223 /nfs/dbraw/zinc/86/32/23/1034863223.db2.gz CBAYTMIUNPYFSM-ZLGJRNTRSA-N 2 0 304.865 3.802 20 0 DHADRP Clc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157393295 1034877143 /nfs/dbraw/zinc/87/71/43/1034877143.db2.gz LXQBBCMQFDVRLK-BHDPWAOGSA-N 2 0 304.865 3.802 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802095 1034910049 /nfs/dbraw/zinc/91/00/49/1034910049.db2.gz KWFOAPJWUAERGL-XJKSGUPXSA-N 2 0 313.272 3.910 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H]2CCC(C)(C)CO2)CC1 ZINC001175352820 1034947345 /nfs/dbraw/zinc/94/73/45/1034947345.db2.gz RXYPLEHPMJXKCL-RBUKOAKNSA-N 2 0 322.537 3.778 20 0 DHADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000482067072 1035051535 /nfs/dbraw/zinc/05/15/35/1035051535.db2.gz IIBBCSMGTPFROS-PBHCIXSXSA-N 2 0 322.855 3.884 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1coc(-c2ccccc2)n1 ZINC000567889897 1035063420 /nfs/dbraw/zinc/06/34/20/1035063420.db2.gz IUGJAOYBEMZMNU-NVXWUHKLSA-N 2 0 313.445 3.742 20 0 DHADRP CC(C)c1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001175775878 1035118205 /nfs/dbraw/zinc/11/82/05/1035118205.db2.gz JFAKHOQHAIFZPS-UHFFFAOYSA-N 2 0 310.445 3.700 20 0 DHADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1C ZINC000194413326 1035139321 /nfs/dbraw/zinc/13/93/21/1035139321.db2.gz SRTSTOCAVLWMTO-WMZOPIPTSA-N 2 0 316.489 3.746 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOc2cc(C)ccc2C)C1 ZINC000483054899 1035219258 /nfs/dbraw/zinc/21/92/58/1035219258.db2.gz AAUBJHDEPINKEV-LJQANCHMSA-N 2 0 318.505 3.736 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000483208650 1035241084 /nfs/dbraw/zinc/24/10/84/1035241084.db2.gz ZBAUBTDVAHICRJ-SJLPKXTDSA-N 2 0 304.478 3.639 20 0 DHADRP COC1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCCC1 ZINC000483261367 1035247853 /nfs/dbraw/zinc/24/78/53/1035247853.db2.gz SBVHTBJYSPEUCH-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000903068822 1035281072 /nfs/dbraw/zinc/28/10/72/1035281072.db2.gz NGNVCJUGHITLLA-LJQANCHMSA-N 2 0 316.489 3.718 20 0 DHADRP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379738001 1035290432 /nfs/dbraw/zinc/29/04/32/1035290432.db2.gz DAJYODSBPDSOPS-LAUBAEHRSA-N 2 0 324.443 3.925 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cncs1 ZINC000163231736 1035300448 /nfs/dbraw/zinc/30/04/48/1035300448.db2.gz PUJPLCKJYDXMCR-VYDXJSESSA-N 2 0 315.486 3.847 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000484478494 1035344511 /nfs/dbraw/zinc/34/45/11/1035344511.db2.gz CKMTZVICDTXMFI-UFYCRDLUSA-N 2 0 300.490 3.779 20 0 DHADRP CCCCOc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206292877 1035348314 /nfs/dbraw/zinc/34/83/14/1035348314.db2.gz DZSIJONKSKOCBG-LJQANCHMSA-N 2 0 304.478 3.816 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CC)CCCC2)[C@H](C)C1 ZINC000484513240 1035351626 /nfs/dbraw/zinc/35/16/26/1035351626.db2.gz BJRNRMVFZQAGFB-MSOLQXFVSA-N 2 0 310.526 3.683 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC001177199795 1035354026 /nfs/dbraw/zinc/35/40/26/1035354026.db2.gz NPQMJZMHQCFKDY-UHFFFAOYSA-N 2 0 300.490 3.775 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)CC2CCCCC2)CC1 ZINC001177244631 1035359394 /nfs/dbraw/zinc/35/93/94/1035359394.db2.gz DGKRGNPHJZAIKW-LJQANCHMSA-N 2 0 323.569 3.600 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC001177299666 1035361024 /nfs/dbraw/zinc/36/10/24/1035361024.db2.gz YMUHLJPHDSYNGO-OOYWPUHTSA-N 2 0 304.453 3.941 20 0 DHADRP CCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+](CC)CC)cn1 ZINC000194979755 1035388970 /nfs/dbraw/zinc/38/89/70/1035388970.db2.gz IXYQOVUXOJMNOT-MRXNPFEDSA-N 2 0 314.477 3.596 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]C1CCc2ccccc2CC1)C(C)(C)C ZINC001177823776 1035392291 /nfs/dbraw/zinc/39/22/91/1035392291.db2.gz ZNZHXTSUEHJINC-LJQANCHMSA-N 2 0 302.506 3.890 20 0 DHADRP CCC1(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC001177961624 1035399383 /nfs/dbraw/zinc/39/93/83/1035399383.db2.gz LCOWNVUXHDIPFE-GOSISDBHSA-N 2 0 318.505 3.693 20 0 DHADRP c1cnc2c(c1)cccc2C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001177949061 1035403071 /nfs/dbraw/zinc/40/30/71/1035403071.db2.gz OPTINYOVYHWZNM-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP [NH3+]CC1CC([NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000904364248 1035407193 /nfs/dbraw/zinc/40/71/93/1035407193.db2.gz JUCNIJIMPXVBQG-LNTUIOFPSA-N 2 0 323.278 3.617 20 0 DHADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000904388707 1035408185 /nfs/dbraw/zinc/40/81/85/1035408185.db2.gz NPPKMXNBYVUKDJ-LRYGQEGESA-N 3 0 309.542 3.527 20 0 DHADRP CC(C)(C[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1c(Cl)cccc1Cl ZINC000904366042 1035408226 /nfs/dbraw/zinc/40/82/26/1035408226.db2.gz DAIKQUJYQCYDPO-PHIMTYICSA-N 2 0 301.261 3.598 20 0 DHADRP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135153 1035415201 /nfs/dbraw/zinc/41/52/01/1035415201.db2.gz HUJDSJOGAXURGY-IEBWSBKVSA-N 2 0 310.441 3.769 20 0 DHADRP CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178746972 1035445086 /nfs/dbraw/zinc/44/50/86/1035445086.db2.gz IRKYFOVVNLBIJG-ZWKOTPCHSA-N 2 0 304.478 3.543 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1C ZINC001179015666 1035461405 /nfs/dbraw/zinc/46/14/05/1035461405.db2.gz INFJBYNYPKZNTF-RTWAWAEBSA-N 2 0 308.469 3.738 20 0 DHADRP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)ccc1SC ZINC000069159958 1035477389 /nfs/dbraw/zinc/47/73/89/1035477389.db2.gz DNPRSWBMQMSESJ-HNNXBMFYSA-N 2 0 322.518 3.629 20 0 DHADRP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001179636386 1035488942 /nfs/dbraw/zinc/48/89/42/1035488942.db2.gz DTWPQFDLMWOLDJ-LMMKCTJWSA-N 2 0 303.494 3.880 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1=CCOCC1 ZINC001179800231 1035504536 /nfs/dbraw/zinc/50/45/36/1035504536.db2.gz OOIQHJUFYDFCCC-UHFFFAOYSA-N 2 0 320.521 3.746 20 0 DHADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001179830333 1035509632 /nfs/dbraw/zinc/50/96/32/1035509632.db2.gz OWMCWPXKEWUCJU-SJLPKXTDSA-N 2 0 318.505 3.653 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001168465830 1035561269 /nfs/dbraw/zinc/56/12/69/1035561269.db2.gz XYHBYSIJCWAXFT-OAHLLOKOSA-N 2 0 304.453 3.753 20 0 DHADRP Cc1ncsc1CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193252690 1035597728 /nfs/dbraw/zinc/59/77/28/1035597728.db2.gz ZSBZWDLZSRSEOA-GDBMZVCRSA-N 2 0 321.534 3.627 20 0 DHADRP C[C@H]1CC[N@H+](Cc2csc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205637844 1035674382 /nfs/dbraw/zinc/67/43/82/1035674382.db2.gz JLPAKPHSALYNEA-CMPLNLGQSA-N 2 0 306.397 3.574 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC001204269790 1035685481 /nfs/dbraw/zinc/68/54/81/1035685481.db2.gz JWTYWXLSQJMFTH-ICSRJNTNSA-N 2 0 316.489 3.782 20 0 DHADRP Cc1cc[nH+]c(NC2CCN(c3cc[nH+]cc3)CC2)c1C1CC1 ZINC000668512517 1035719974 /nfs/dbraw/zinc/71/99/74/1035719974.db2.gz SFPCDAJIVRFGCL-UHFFFAOYSA-N 2 0 308.429 3.743 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000494642936 1035759898 /nfs/dbraw/zinc/75/98/98/1035759898.db2.gz LMBSUFLUIHBRLX-HBFSDRIKSA-N 2 0 318.505 3.720 20 0 DHADRP C[C@H](CC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2)[NH+]1CCCCC1 ZINC001180811555 1035766564 /nfs/dbraw/zinc/76/65/64/1035766564.db2.gz SEGRRZXUKHSCFO-SQNIBIBYSA-N 2 0 322.537 3.967 20 0 DHADRP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001193987191 1035791069 /nfs/dbraw/zinc/79/10/69/1035791069.db2.gz BFWLBJNWYXKNLP-RYQLBKOJSA-N 2 0 322.443 3.732 20 0 DHADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000192570291 1035801456 /nfs/dbraw/zinc/80/14/56/1035801456.db2.gz QMSGVLLOBAHOLE-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)C[C@H]1CCCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192745334 1035815120 /nfs/dbraw/zinc/81/51/20/1035815120.db2.gz TXAIAOOKDPYVKA-HXUWFJFHSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000192931571 1035826204 /nfs/dbraw/zinc/82/62/04/1035826204.db2.gz GJNICOHQCUYQSQ-AEFFLSMTSA-N 2 0 318.530 3.630 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000193250393 1035855064 /nfs/dbraw/zinc/85/50/64/1035855064.db2.gz ZUEYHJOQOJBUIR-GOSISDBHSA-N 2 0 310.526 3.538 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC001181458275 1035918092 /nfs/dbraw/zinc/91/80/92/1035918092.db2.gz UPZLWSYMXJVUPB-RTBURBONSA-N 2 0 318.530 3.902 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000539898632 1035926606 /nfs/dbraw/zinc/92/66/06/1035926606.db2.gz YWJLCANYSMKUCT-WBVHZDCISA-N 2 0 300.471 3.817 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660006489 1035946650 /nfs/dbraw/zinc/94/66/50/1035946650.db2.gz OTHWPUWPZROTJC-SJLPKXTDSA-N 2 0 308.510 3.530 20 0 DHADRP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](C2CCCC2)CC1)OC ZINC000540147118 1035983791 /nfs/dbraw/zinc/98/37/91/1035983791.db2.gz OJOBPZOHFPSKCY-LJQANCHMSA-N 2 0 310.526 3.824 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000540159597 1035984093 /nfs/dbraw/zinc/98/40/93/1035984093.db2.gz ALBPBMRPBLOOMO-MJGOQNOKSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000540177626 1035999964 /nfs/dbraw/zinc/99/99/64/1035999964.db2.gz PXNXMEGBWBFZTF-NUJGCVRESA-N 2 0 318.505 3.681 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)[C@@H](C)C1 ZINC000540183960 1036002279 /nfs/dbraw/zinc/00/22/79/1036002279.db2.gz LVVPGWXULNTGEG-QFBILLFUSA-N 2 0 318.505 3.683 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000540259585 1036023851 /nfs/dbraw/zinc/02/38/51/1036023851.db2.gz SAOCTDIUVXAUIX-BEFAXECRSA-N 2 0 304.453 3.988 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000540302764 1036035849 /nfs/dbraw/zinc/03/58/49/1036035849.db2.gz SOEBCSAEJXZGCQ-IBGZPJMESA-N 2 0 304.453 3.988 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC001181971502 1036074301 /nfs/dbraw/zinc/07/43/01/1036074301.db2.gz LDZJXBDZIMNLSD-INIZCTEOSA-N 2 0 318.530 3.976 20 0 DHADRP CC(C)[C@@H](C)C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540491574 1036082917 /nfs/dbraw/zinc/08/29/17/1036082917.db2.gz DVLKUTFIPHYWAE-WMZOPIPTSA-N 2 0 316.489 3.856 20 0 DHADRP CC(C)[C@@H](C)C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540491572 1036084300 /nfs/dbraw/zinc/08/43/00/1036084300.db2.gz DVLKUTFIPHYWAE-FUHWJXTLSA-N 2 0 316.489 3.856 20 0 DHADRP Cc1nc2ccc(C[NH2+]CC[C@H](C)[NH+]3CCCCC3)cc2s1 ZINC000494844684 1036084862 /nfs/dbraw/zinc/08/48/62/1036084862.db2.gz IYKCVXPVLFESSO-AWEZNQCLSA-N 2 0 317.502 3.959 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CCCC1 ZINC000540605901 1036113644 /nfs/dbraw/zinc/11/36/44/1036113644.db2.gz NJNBQMSCWNMLIH-HXUWFJFHSA-N 2 0 314.473 3.778 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000494988095 1036165347 /nfs/dbraw/zinc/16/53/47/1036165347.db2.gz MNXQCIBZQKNMBY-OAQYLSRUSA-N 2 0 306.453 3.936 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494984506 1036166259 /nfs/dbraw/zinc/16/62/59/1036166259.db2.gz FXPUCJAMVSIUMJ-FUHWJXTLSA-N 2 0 310.551 3.716 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCSC2)CC1)CC1CC1 ZINC000495025197 1036186164 /nfs/dbraw/zinc/18/61/64/1036186164.db2.gz GPVTVPVMTNRABW-SFHVURJKSA-N 2 0 310.551 3.574 20 0 DHADRP Cc1ccc(C(F)(F)F)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206499742 1036231458 /nfs/dbraw/zinc/23/14/58/1036231458.db2.gz BMOWVKAZGDGWIB-UHFFFAOYSA-N 2 0 300.368 3.575 20 0 DHADRP C[C@H](CCc1ccccc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195537000 1036281590 /nfs/dbraw/zinc/28/15/90/1036281590.db2.gz UHGACPAOSZODBG-GOSISDBHSA-N 2 0 309.457 3.615 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486686051 1036359134 /nfs/dbraw/zinc/35/91/34/1036359134.db2.gz GECYTEXYNBSWGM-CQSZACIVSA-N 2 0 303.425 3.661 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000541588173 1036379047 /nfs/dbraw/zinc/37/90/47/1036379047.db2.gz UTGKZFYUCSKXOO-QUCCMNQESA-N 2 0 300.490 3.673 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC001182544528 1036381464 /nfs/dbraw/zinc/38/14/64/1036381464.db2.gz QCPQYUKXPWKBAX-WOZUAGRISA-N 2 0 312.501 3.890 20 0 DHADRP C[NH+](C)C1(C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)CC1 ZINC001182601890 1036406854 /nfs/dbraw/zinc/40/68/54/1036406854.db2.gz PRZMNZOLAAGNOV-UHFFFAOYSA-N 2 0 314.454 3.666 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001182712493 1036432184 /nfs/dbraw/zinc/43/21/84/1036432184.db2.gz ANSGWRQJUWCCPG-OALUTQOASA-N 2 0 318.505 3.800 20 0 DHADRP C[NH+](C)C[C@H]1CCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000541908784 1036455015 /nfs/dbraw/zinc/45/50/15/1036455015.db2.gz XAGJBYVRBHOYEO-OAHLLOKOSA-N 2 0 318.461 3.938 20 0 DHADRP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)C2 ZINC000541988031 1036478996 /nfs/dbraw/zinc/47/89/96/1036478996.db2.gz IVNDGLOQPCLPRA-WIYYLYMNSA-N 2 0 312.501 3.742 20 0 DHADRP c1cc(C[NH2+]C[C@@H]2CCSC2)cc(C[NH+]2CCCCCC2)c1 ZINC000486975494 1036493061 /nfs/dbraw/zinc/49/30/61/1036493061.db2.gz ZMDOQLGRDLRNQO-IBGZPJMESA-N 2 0 318.530 3.905 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000486975928 1036493394 /nfs/dbraw/zinc/49/33/94/1036493394.db2.gz YAIRSYCFKZPUNP-VQIMIIECSA-N 2 0 318.530 3.904 20 0 DHADRP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC001204358820 1036493874 /nfs/dbraw/zinc/49/38/74/1036493874.db2.gz MGUCUKVGKPHNAQ-YJBOKZPZSA-N 2 0 304.478 3.957 20 0 DHADRP CCCN1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046636 1036504600 /nfs/dbraw/zinc/50/46/00/1036504600.db2.gz YIFCXPBQIDVVAB-YIYPIFLZSA-N 2 0 312.910 3.967 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000487273881 1036632141 /nfs/dbraw/zinc/63/21/41/1036632141.db2.gz NTKKRMSGQUIRLN-UHOSZYNNSA-N 2 0 300.490 3.575 20 0 DHADRP CCCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495444275 1036646780 /nfs/dbraw/zinc/64/67/80/1036646780.db2.gz IJGCYDZXWJTWCF-DFQSSKMNSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000487549837 1036678922 /nfs/dbraw/zinc/67/89/22/1036678922.db2.gz IWRQDQXWBGAFNK-BHIYHBOVSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000492425398 1036871020 /nfs/dbraw/zinc/87/10/20/1036871020.db2.gz ROWHVHBQBDGMFE-YCPHGPKFSA-N 2 0 314.395 3.685 20 0 DHADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC000666855493 1036903870 /nfs/dbraw/zinc/90/38/70/1036903870.db2.gz VZRVADRNFRJRRO-LLVKDONJSA-N 2 0 306.759 3.591 20 0 DHADRP FC1(F)CCC(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233355 1036921813 /nfs/dbraw/zinc/92/18/13/1036921813.db2.gz OZQCRGKEIAYXAX-INIZCTEOSA-N 2 0 300.437 3.666 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629553929 1036945897 /nfs/dbraw/zinc/94/58/97/1036945897.db2.gz DTBINKJOQRQWSJ-LSDHHAIUSA-N 2 0 300.368 3.541 20 0 DHADRP Cc1ccccc1C1CC([NH2+]CCC[NH+]2CCC(C)CC2)C1 ZINC000236844747 1036984422 /nfs/dbraw/zinc/98/44/22/1036984422.db2.gz AVDDOLRWOSAANJ-UHFFFAOYSA-N 2 0 300.490 3.953 20 0 DHADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000237188694 1036998441 /nfs/dbraw/zinc/99/84/41/1036998441.db2.gz IHPCXHPLLVWLAA-OBGWFSINSA-N 2 0 324.468 3.820 20 0 DHADRP CCC1(C[NH2+]C[C@@H]2C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000488444778 1037015949 /nfs/dbraw/zinc/01/59/49/1037015949.db2.gz WIDJYHRBQLQUCL-HKUYNNGSSA-N 2 0 300.490 3.924 20 0 DHADRP CC(C)C1CC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000488434661 1037019663 /nfs/dbraw/zinc/01/96/63/1037019663.db2.gz JRRJJNDWMNMHCZ-XEVCZEQESA-N 2 0 300.490 3.575 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C12CCCC2 ZINC000315816607 1037058372 /nfs/dbraw/zinc/05/83/72/1037058372.db2.gz IZTPSUWRZZPTQX-KZNAEPCWSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CS1 ZINC000488587183 1037085468 /nfs/dbraw/zinc/08/54/68/1037085468.db2.gz YAORRBPWPRNPEG-DFGXFYAUSA-N 2 0 310.551 3.759 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000316592829 1037139217 /nfs/dbraw/zinc/13/92/17/1037139217.db2.gz FYMAZZWXARZYON-MSOLQXFVSA-N 2 0 302.462 3.582 20 0 DHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000924842733 1037235312 /nfs/dbraw/zinc/23/53/12/1037235312.db2.gz HWUXHYRLJMTNKN-ROUUACIJSA-N 2 0 320.521 3.719 20 0 DHADRP COCc1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001199336010 1037247731 /nfs/dbraw/zinc/24/77/31/1037247731.db2.gz GESXHGJYHBEFDT-QGZVFWFLSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001199413406 1037260707 /nfs/dbraw/zinc/26/07/07/1037260707.db2.gz NXCLXIFNOYZQKS-KRWDZBQOSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)C[NH+]1CCCCC1 ZINC001199580944 1037286516 /nfs/dbraw/zinc/28/65/16/1037286516.db2.gz DNEYNKAPCZAXDF-FXAWDEMLSA-N 2 0 300.490 3.646 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262344784 1037325769 /nfs/dbraw/zinc/32/57/69/1037325769.db2.gz USYPCYFUTKHEGJ-XTBFLFJDSA-N 2 0 312.379 3.826 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCCCC3)CC2)cc1 ZINC001199882850 1037362487 /nfs/dbraw/zinc/36/24/87/1037362487.db2.gz BTVSSPAHYMWXKE-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP COCCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC001205348055 1037365395 /nfs/dbraw/zinc/36/53/95/1037365395.db2.gz VFKBATFZPJVGFX-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP COCCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC001205348053 1037366561 /nfs/dbraw/zinc/36/65/61/1037366561.db2.gz VFKBATFZPJVGFX-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP COc1ccsc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC001200872938 1037454541 /nfs/dbraw/zinc/45/45/41/1037454541.db2.gz XHTHIVZWNRABLB-UHFFFAOYSA-N 2 0 310.507 3.604 20 0 DHADRP CC(C)[NH+](CCC[NH2+]C[C@H]1CCOc2ccccc21)C(C)C ZINC001200921977 1037463405 /nfs/dbraw/zinc/46/34/05/1037463405.db2.gz KIYGXFMGLXTQML-QGZVFWFLSA-N 2 0 304.478 3.651 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000152652950 1037492179 /nfs/dbraw/zinc/49/21/79/1037492179.db2.gz CTGZBPULFZCKGW-LJQANCHMSA-N 2 0 316.489 3.927 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000493888570 1037584184 /nfs/dbraw/zinc/58/41/84/1037584184.db2.gz OAXBYRLGNJXEIT-HBFSDRIKSA-N 2 0 318.505 3.864 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000493904669 1037586149 /nfs/dbraw/zinc/58/61/49/1037586149.db2.gz DZEUEMPNPKSOLK-HXUWFJFHSA-N 2 0 324.468 3.622 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398046537 1037587241 /nfs/dbraw/zinc/58/72/41/1037587241.db2.gz VZLZSQCSLHEJHD-FUHWJXTLSA-N 2 0 306.519 3.628 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000494100635 1037646529 /nfs/dbraw/zinc/64/65/29/1037646529.db2.gz YFTMJRDQZUTBEB-UHFFFAOYSA-N 2 0 318.505 3.681 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1(CC)CC ZINC000776167576 1037668844 /nfs/dbraw/zinc/66/88/44/1037668844.db2.gz FYPCGASSYWPQTO-ZGUYJTEBSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1cccc(C2CC2)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201673153 1037824175 /nfs/dbraw/zinc/82/41/75/1037824175.db2.gz RXZHTEUZUDMKFZ-UHFFFAOYSA-N 2 0 322.456 3.763 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1)CC1CC1 ZINC000491056990 1037900231 /nfs/dbraw/zinc/90/02/31/1037900231.db2.gz CVGFUBGYIUKFLV-PXNSSMCTSA-N 2 0 322.537 3.636 20 0 DHADRP CS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001201857828 1037907703 /nfs/dbraw/zinc/90/77/03/1037907703.db2.gz SZBIRXZMZLBFQA-ROUUACIJSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCOc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000125415551 1037940221 /nfs/dbraw/zinc/94/02/21/1037940221.db2.gz QLDGIJNVNOAKIX-VQIMIIECSA-N 2 0 312.457 3.681 20 0 DHADRP CC1(C)CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563399 1037945032 /nfs/dbraw/zinc/94/50/32/1037945032.db2.gz PLXFDZMGSMVBIG-UONOGXRCSA-N 2 0 306.416 3.662 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1 ZINC000629565327 1037958743 /nfs/dbraw/zinc/95/87/43/1037958743.db2.gz VYXTUTCSNOONOR-GDBMZVCRSA-N 2 0 314.395 3.571 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125891418 1037977503 /nfs/dbraw/zinc/97/75/03/1037977503.db2.gz BHUZQYNPIBEPOY-SQNIBIBYSA-N 2 0 318.505 3.897 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000494352021 1038060699 /nfs/dbraw/zinc/06/06/99/1038060699.db2.gz RGXMPHUIKRSCMV-UHFFFAOYSA-N 2 0 318.505 3.825 20 0 DHADRP CCCc1csc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000494378938 1038080386 /nfs/dbraw/zinc/08/03/86/1038080386.db2.gz UIEGAQKMCGSLOR-HNNXBMFYSA-N 2 0 309.523 3.840 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000189248005 1038116585 /nfs/dbraw/zinc/11/65/85/1038116585.db2.gz ZLKYBBWNDVZNHN-YMPIPDKKSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000127568075 1038195550 /nfs/dbraw/zinc/19/55/50/1038195550.db2.gz PWCZNDVGAZGYNM-HNNXBMFYSA-N 2 0 300.421 3.781 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000571872842 1038267155 /nfs/dbraw/zinc/26/71/55/1038267155.db2.gz CZBATBCWTFDMKS-LBPRGKRZSA-N 2 0 304.356 3.624 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2(C)CC2)ccc1OC ZINC000775412747 1038383424 /nfs/dbraw/zinc/38/34/24/1038383424.db2.gz PIFMDKBKYKMRGP-OAHLLOKOSA-N 2 0 304.478 3.988 20 0 DHADRP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546821 1038408517 /nfs/dbraw/zinc/40/85/17/1038408517.db2.gz YVTVSFRQFPSHBS-WMZOPIPTSA-N 2 0 316.505 3.761 20 0 DHADRP CSC1(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC[NH+](C)CC1 ZINC000589349484 1038467270 /nfs/dbraw/zinc/46/72/70/1038467270.db2.gz FMIZWAOWWWZXMY-YJBOKZPZSA-N 2 0 318.530 3.727 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](CCCC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629653421 1038612369 /nfs/dbraw/zinc/61/23/69/1038612369.db2.gz HAHQIEOCEAABDW-HUUCEWRRSA-N 2 0 306.416 3.806 20 0 DHADRP C[C@@H]1CC[N@H+](CCc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205602049 1038670688 /nfs/dbraw/zinc/67/06/88/1038670688.db2.gz HROVHFXMNIYARQ-HIFRSBDPSA-N 2 0 314.395 3.555 20 0 DHADRP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205616884 1038721080 /nfs/dbraw/zinc/72/10/80/1038721080.db2.gz HLBGVACZPXERJF-KGLIPLIRSA-N 2 0 310.869 3.546 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205616897 1038721216 /nfs/dbraw/zinc/72/12/16/1038721216.db2.gz HLRQCCAUOLTYCC-NWDGAFQWSA-N 2 0 318.358 3.651 20 0 DHADRP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205616889 1038721421 /nfs/dbraw/zinc/72/14/21/1038721421.db2.gz HLBGVACZPXERJF-ZIAGYGMSSA-N 2 0 310.869 3.546 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])Nc1ccccc1 ZINC000057887339 1038756755 /nfs/dbraw/zinc/75/67/55/1038756755.db2.gz GNRMVKLEGAWONF-UHFFFAOYSA-N 2 0 310.445 3.665 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000477927521 1038823770 /nfs/dbraw/zinc/82/37/70/1038823770.db2.gz OIXSIUDQGCLHCJ-KBPBESRZSA-N 2 0 306.416 3.819 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413997 1038874365 /nfs/dbraw/zinc/87/43/65/1038874365.db2.gz BKXHDKOVBZFIQO-FQEVSTJZSA-N 2 0 318.480 3.785 20 0 DHADRP C[C@H](c1ccncc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000599208714 1039085866 /nfs/dbraw/zinc/08/58/66/1039085866.db2.gz UOJUDMBPDOPBDY-GOSISDBHSA-N 2 0 323.484 3.987 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168417911 1039477393 /nfs/dbraw/zinc/47/73/93/1039477393.db2.gz TWCHBBVZPCOJJQ-UFYCRDLUSA-N 2 0 316.464 3.665 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000574726889 1039769820 /nfs/dbraw/zinc/76/98/20/1039769820.db2.gz SPVBUHAUFVJSJB-AZUAARDMSA-N 2 0 316.489 3.638 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000606469403 1039901940 /nfs/dbraw/zinc/90/19/40/1039901940.db2.gz OMXFXLPDWPFBFJ-GOSISDBHSA-N 2 0 305.510 3.746 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000606469404 1039902078 /nfs/dbraw/zinc/90/20/78/1039902078.db2.gz OMXFXLPDWPFBFJ-SFHVURJKSA-N 2 0 305.510 3.746 20 0 DHADRP C[C@@H](CSCCF)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000595016769 1039976901 /nfs/dbraw/zinc/97/69/01/1039976901.db2.gz SCBOKSXDODFLLB-FUHWJXTLSA-N 2 0 324.509 3.579 20 0 DHADRP C[C@H](CSCCF)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000595008787 1040020016 /nfs/dbraw/zinc/02/00/16/1040020016.db2.gz SQYHZFIQQGRCNW-MRXNPFEDSA-N 2 0 324.509 3.579 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1CC[NH2+]CC1 ZINC000574868574 1040060086 /nfs/dbraw/zinc/06/00/86/1040060086.db2.gz DBGUDYYYPKZXPH-LLVKDONJSA-N 2 0 301.261 3.514 20 0 DHADRP CC1CCC(O)(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000607721350 1040258976 /nfs/dbraw/zinc/25/89/76/1040258976.db2.gz UTADCQWGYWRENA-GPJFCIFZSA-N 2 0 322.537 3.516 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCCCC1 ZINC000608058328 1040373259 /nfs/dbraw/zinc/37/32/59/1040373259.db2.gz IZBFBGIVNSPOAG-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000091287608 193032228 /nfs/dbraw/zinc/03/22/28/193032228.db2.gz SCIUJIUDOHENQO-OAQYLSRUSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000093977897 193333981 /nfs/dbraw/zinc/33/39/81/193333981.db2.gz ITKDTERLKZVPGH-UHOFOFEASA-N 2 0 323.278 3.727 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626386 184179066 /nfs/dbraw/zinc/17/90/66/184179066.db2.gz WLFIZUGMKVNTTK-JMSVASOKSA-N 2 0 300.368 3.524 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626152 184179237 /nfs/dbraw/zinc/17/92/37/184179237.db2.gz YHERZZPBAXHARD-TYNCELHUSA-N 2 0 300.368 3.524 20 0 DHADRP Fc1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000278542680 130699965 /nfs/dbraw/zinc/69/99/65/130699965.db2.gz VBCAPYBVRWONCK-LJQANCHMSA-N 2 0 302.437 3.741 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000283877494 131030702 /nfs/dbraw/zinc/03/07/02/131030702.db2.gz CBHLRCFQSOGBDC-INIZCTEOSA-N 2 0 313.445 3.546 20 0 DHADRP CCOCCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000284135513 131051655 /nfs/dbraw/zinc/05/16/55/131051655.db2.gz OLOAXNANIBTUSD-UHFFFAOYSA-N 2 0 318.505 3.836 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000284525688 131089549 /nfs/dbraw/zinc/08/95/49/131089549.db2.gz WWSMZFUXZZVPOO-ATZDWAIDSA-N 2 0 316.489 3.509 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccncc2F)c1 ZINC000340197205 131134832 /nfs/dbraw/zinc/13/48/32/131134832.db2.gz UBCJZCVNVMANRX-OAHLLOKOSA-N 2 0 315.436 3.912 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000285066512 131135183 /nfs/dbraw/zinc/13/51/83/131135183.db2.gz OVMLBAIVMXVYMY-UHFFFAOYSA-N 2 0 313.445 3.505 20 0 DHADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000285079162 131136272 /nfs/dbraw/zinc/13/62/72/131136272.db2.gz JNFXJHWVLPHSEE-MNNVXMFVSA-N 2 0 312.461 3.504 20 0 DHADRP Cc1ccnc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000285860751 131206356 /nfs/dbraw/zinc/20/63/56/131206356.db2.gz YJYOCQYJMPOGCY-KRWDZBQOSA-N 2 0 309.457 3.837 20 0 DHADRP CCC[C@](C)(O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285904260 131208699 /nfs/dbraw/zinc/20/86/99/131208699.db2.gz CWGSSEQMCLYFHK-MHJFOBGBSA-N 2 0 318.505 3.570 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)CCN1Cc1ccccc1 ZINC000286999139 131259412 /nfs/dbraw/zinc/25/94/12/131259412.db2.gz JZDYNFJDMNGFKG-NEWSRXKRSA-N 2 0 318.530 3.772 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287115316 131264261 /nfs/dbraw/zinc/26/42/61/131264261.db2.gz QUTHRESYRDRVPO-LDLYASANSA-N 2 0 318.530 3.913 20 0 DHADRP C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000297275634 132006893 /nfs/dbraw/zinc/00/68/93/132006893.db2.gz KZCXVWJXUGYWNL-CQSZACIVSA-N 2 0 314.420 3.713 20 0 DHADRP FC(F)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297357033 132012118 /nfs/dbraw/zinc/01/21/18/132012118.db2.gz FOPSAKOFWZPEAO-UHFFFAOYSA-N 2 0 317.383 3.778 20 0 DHADRP c1cc2cc(NC3CCN(c4cc[nH+]cc4)CC3)ccc2c[nH+]1 ZINC000297442391 132015912 /nfs/dbraw/zinc/01/59/12/132015912.db2.gz OIERRAOVCRJVOG-UHFFFAOYSA-N 2 0 304.397 3.711 20 0 DHADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000298334369 132056805 /nfs/dbraw/zinc/05/68/05/132056805.db2.gz IXVXYLFNKMYIBK-HNNXBMFYSA-N 2 0 313.420 3.583 20 0 DHADRP Cc1c2ccccc2oc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298528134 132066886 /nfs/dbraw/zinc/06/68/86/132066886.db2.gz RYTVOZYVOIIFKV-UHFFFAOYSA-N 2 0 321.424 3.895 20 0 DHADRP COC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)C1CCCC1 ZINC000525869512 335071087 /nfs/dbraw/zinc/07/10/87/335071087.db2.gz SRIFFSWKXKXRRD-HXUWFJFHSA-N 2 0 318.505 3.822 20 0 DHADRP COc1cccc2c1CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000426062046 335093457 /nfs/dbraw/zinc/09/34/57/335093457.db2.gz WHQZXCFXZBANNR-QFBILLFUSA-N 2 0 318.505 3.509 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447895663 331662881 /nfs/dbraw/zinc/66/28/81/331662881.db2.gz ZLUXWWFASDYQMZ-UHFFFAOYSA-N 2 0 309.523 3.651 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCCCC2 ZINC000557769506 331815192 /nfs/dbraw/zinc/81/51/92/331815192.db2.gz PWWNMLRWKTXUDF-RTBURBONSA-N 2 0 320.521 3.721 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000558222563 331884601 /nfs/dbraw/zinc/88/46/01/331884601.db2.gz RAGLDUVPBCHWDV-ZWKOTPCHSA-N 2 0 304.478 3.541 20 0 DHADRP COC1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC000449229722 331962694 /nfs/dbraw/zinc/96/26/94/331962694.db2.gz DJMKYBUVMIHBEO-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP CCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000518266728 332002806 /nfs/dbraw/zinc/00/28/06/332002806.db2.gz AUABNZIRRDDJDK-IRXDYDNUSA-N 2 0 304.478 3.543 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000518277997 332005768 /nfs/dbraw/zinc/00/57/68/332005768.db2.gz GJFPJQRGRMOJGZ-QGZVFWFLSA-N 2 0 324.468 3.622 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000127611929 332007464 /nfs/dbraw/zinc/00/74/64/332007464.db2.gz SAGPGXUUZQOAGN-HRCADAONSA-N 2 0 306.519 3.926 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000129887571 332021362 /nfs/dbraw/zinc/02/13/62/332021362.db2.gz ALRZTIIDWKFQEL-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312387 332023630 /nfs/dbraw/zinc/02/36/30/332023630.db2.gz SXPRKBLOASUITC-HKUYNNGSSA-N 2 0 318.530 3.975 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccsc2S1 ZINC000130611736 332025097 /nfs/dbraw/zinc/02/50/97/332025097.db2.gz SNYIGRFABYNIQM-WFASDCNBSA-N 2 0 310.532 3.995 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000449348750 332060439 /nfs/dbraw/zinc/06/04/39/332060439.db2.gz VHBGNJSVOOSJAC-SJLPKXTDSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000580106322 332943233 /nfs/dbraw/zinc/94/32/33/332943233.db2.gz KYYJMXIPXIXHEJ-LJQANCHMSA-N 2 0 304.453 3.907 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000569474134 332099652 /nfs/dbraw/zinc/09/96/52/332099652.db2.gz WSHYGGIEBPLLLF-BDXSIMOUSA-N 2 0 301.478 3.523 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CCCC2)CC[N@@H+]1C ZINC000181341448 332192075 /nfs/dbraw/zinc/19/20/75/332192075.db2.gz CSYWFOGZLBCIPY-HKUYNNGSSA-N 2 0 300.490 3.862 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCOCC1 ZINC000559616658 332274086 /nfs/dbraw/zinc/27/40/86/332274086.db2.gz KCECJSMLTNORNB-OALUTQOASA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@H]2CCC[C@H]21 ZINC000559878510 332288771 /nfs/dbraw/zinc/28/87/71/332288771.db2.gz SUODTMPWGWONAK-IXDOHACOSA-N 2 0 300.471 3.864 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)ccc1F ZINC000559893067 332290544 /nfs/dbraw/zinc/29/05/44/332290544.db2.gz MVTSZOOZLBTXCT-HNNXBMFYSA-N 2 0 308.441 3.751 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560252456 332323954 /nfs/dbraw/zinc/32/39/54/332323954.db2.gz WQDYRKTWSWFXFS-MOPGFXCFSA-N 2 0 316.489 3.697 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)[C@H](C)C1 ZINC000560265410 332326425 /nfs/dbraw/zinc/32/64/25/332326425.db2.gz MUZPXAASGAAKPS-OXQOHEQNSA-N 2 0 316.489 3.828 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000564973191 332328426 /nfs/dbraw/zinc/32/84/26/332328426.db2.gz VJCLMBKIYFWXTI-KDOFPFPSSA-N 2 0 304.503 3.717 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)[C@@H]2CCC[C@@H]21 ZINC000560529497 332352835 /nfs/dbraw/zinc/35/28/35/332352835.db2.gz NOMYMWOUUHYQKN-FHWLQOOXSA-N 2 0 316.464 3.710 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000387555171 332359461 /nfs/dbraw/zinc/35/94/61/332359461.db2.gz RJMGXXHVUIXGNC-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000560582158 332364888 /nfs/dbraw/zinc/36/48/88/332364888.db2.gz XXNWDWYADUPYSZ-UHFFFAOYSA-N 2 0 323.484 3.702 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000449529555 332377646 /nfs/dbraw/zinc/37/76/46/332377646.db2.gz XWYANEXJSQKYBK-UHFFFAOYSA-N 2 0 307.463 3.613 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000562019788 332532135 /nfs/dbraw/zinc/53/21/35/332532135.db2.gz PUMYXAPJQWFQOT-UXHICEINSA-N 2 0 316.489 3.685 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC[NH+](C)CC1 ZINC000562105087 332546676 /nfs/dbraw/zinc/54/66/76/332546676.db2.gz YMDTZUICICVYQR-OAHLLOKOSA-N 2 0 324.509 3.921 20 0 DHADRP COCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000178078857 333001364 /nfs/dbraw/zinc/00/13/64/333001364.db2.gz FIWXYVLRZXPIJI-OHSMVPPVSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188142019 333037803 /nfs/dbraw/zinc/03/78/03/333037803.db2.gz FPFMSMJVEUMSCB-WWGRRREGSA-N 2 0 314.395 3.881 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000110644328 333039645 /nfs/dbraw/zinc/03/96/45/333039645.db2.gz HKSWAGSINYNVMG-NEPJUHHUSA-N 2 0 300.368 3.826 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc3ccccc23)C1 ZINC000580259496 333043379 /nfs/dbraw/zinc/04/33/79/333043379.db2.gz KIWZFPZWDDUDFF-RHSMWYFYSA-N 2 0 300.471 3.817 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000378877962 333059428 /nfs/dbraw/zinc/05/94/28/333059428.db2.gz CIPCQHRIDLORBQ-HGKCTWBKSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000314135706 333088855 /nfs/dbraw/zinc/08/88/55/333088855.db2.gz SAJUOXYDFDJLPA-ZDUSSCGKSA-N 2 0 316.367 3.722 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000068634081 333130419 /nfs/dbraw/zinc/13/04/19/333130419.db2.gz KOBFOVVJGISCSN-NFOMZHRRSA-N 2 0 306.416 3.962 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)ccc2c1 ZINC000390457891 333281390 /nfs/dbraw/zinc/28/13/90/333281390.db2.gz FYZMLIBLBVEVQA-GJZGRUSLSA-N 2 0 300.446 3.697 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCOCc1ccccc1 ZINC000390601738 333305934 /nfs/dbraw/zinc/30/59/34/333305934.db2.gz XQAKOYWMHUSMQX-QUCCMNQESA-N 2 0 318.505 3.884 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000120710399 333306743 /nfs/dbraw/zinc/30/67/43/333306743.db2.gz KGTSMTIYOZDBPL-KRWDZBQOSA-N 2 0 320.477 3.619 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390697524 333315901 /nfs/dbraw/zinc/31/59/01/333315901.db2.gz AORFFJQEIQQVMG-BWPNAZKDSA-N 2 0 300.490 3.923 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000514091499 333324704 /nfs/dbraw/zinc/32/47/04/333324704.db2.gz ZHTLNYAPGWJDFP-IYWMVGAKSA-N 2 0 300.490 3.889 20 0 DHADRP C[C@@H]1C[C@H](NCc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000531213523 333335065 /nfs/dbraw/zinc/33/50/65/333335065.db2.gz YLHMWPNYNLFNLM-UKRRQHHQSA-N 2 0 307.507 3.763 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)CCOc2ccccc2Cl)C[C@@H]1C ZINC000531379057 333347865 /nfs/dbraw/zinc/34/78/65/333347865.db2.gz UEZDWXBCXNMVAP-GJZGRUSLSA-N 2 0 310.869 3.523 20 0 DHADRP Cc1cccn2c(C[NH2+]C[C@H]3SCCc4ccccc43)cnc12 ZINC000531390086 333348850 /nfs/dbraw/zinc/34/88/50/333348850.db2.gz POSAGEGFSCDKIS-GOSISDBHSA-N 2 0 323.465 3.763 20 0 DHADRP CC(C)[N@H+](C)CCCN[C@H](C)c1ccccc1Br ZINC000221912609 333377771 /nfs/dbraw/zinc/37/77/71/333377771.db2.gz VHIQALNJFSOSKN-CYBMUJFWSA-N 2 0 313.283 3.830 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000391327533 333450483 /nfs/dbraw/zinc/45/04/83/333450483.db2.gz SAUJTDVJSRYZSY-SFHVURJKSA-N 2 0 318.505 3.964 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414109055 333897734 /nfs/dbraw/zinc/89/77/34/333897734.db2.gz GUHHEVFFDYSHFQ-FUHWJXTLSA-N 2 0 306.881 3.908 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414109058 333897737 /nfs/dbraw/zinc/89/77/37/333897737.db2.gz GUHHEVFFDYSHFQ-WMZOPIPTSA-N 2 0 306.881 3.908 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000414370540 333946629 /nfs/dbraw/zinc/94/66/29/333946629.db2.gz WVCXDAZVEZYBDN-HKUYNNGSSA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000414662869 334060910 /nfs/dbraw/zinc/06/09/10/334060910.db2.gz RLFAFYPKNOVFNA-OXQOHEQNSA-N 2 0 324.468 3.840 20 0 DHADRP C[NH2+]C1CCN(Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000414678922 334067349 /nfs/dbraw/zinc/06/73/49/334067349.db2.gz VZMIJLQAMCVZOP-UHFFFAOYSA-N 2 0 324.468 3.758 20 0 DHADRP CC[N@H+](Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000414717299 334073247 /nfs/dbraw/zinc/07/32/47/334073247.db2.gz POSQXHYPCSNYKY-LJQANCHMSA-N 2 0 312.457 3.812 20 0 DHADRP C[C@H]1C[C@H](C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC[NH2+]1 ZINC000414741709 334078627 /nfs/dbraw/zinc/07/86/27/334078627.db2.gz FOMOXNNXJFIFMO-GOEBONIOSA-N 2 0 314.395 3.829 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc2c1 ZINC000414780905 334093338 /nfs/dbraw/zinc/09/33/38/334093338.db2.gz MCZPAFBDQFEEIQ-PMACEKPBSA-N 2 0 324.468 3.670 20 0 DHADRP Clc1ccc(CCCC[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000414785269 334095058 /nfs/dbraw/zinc/09/50/58/334095058.db2.gz UVQXUHSHQMNZMD-UHFFFAOYSA-N 2 0 301.261 3.658 20 0 DHADRP FC1(F)CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278710346 334100106 /nfs/dbraw/zinc/10/01/06/334100106.db2.gz LNVUUARIXCFJJB-XGBSXSJOSA-N 2 0 306.400 3.569 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801343 334101941 /nfs/dbraw/zinc/10/19/41/334101941.db2.gz TZMPJLPKXFHZRG-OAGGEKHMSA-N 2 0 314.395 3.914 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000414801635 334103032 /nfs/dbraw/zinc/10/30/32/334103032.db2.gz LZYWHUCBJOBEHY-BBRMVZONSA-N 2 0 319.449 3.556 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414806365 334103478 /nfs/dbraw/zinc/10/34/78/334103478.db2.gz QARZKXRNWRSAOO-XNRPHZJLSA-N 2 0 314.395 3.916 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCc2cccc(F)c2)cc1 ZINC000414804924 334103985 /nfs/dbraw/zinc/10/39/85/334103985.db2.gz FOKPJAZHJJMQJL-GJZGRUSLSA-N 2 0 300.421 3.956 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000414806746 334104551 /nfs/dbraw/zinc/10/45/51/334104551.db2.gz ICPPKDAGTQXMIN-GFCCVEGCSA-N 2 0 319.246 3.759 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]CCSCc2ccccc2)cc1 ZINC000414809835 334104710 /nfs/dbraw/zinc/10/47/10/334104710.db2.gz HCAZCZGHFAHWLK-OAHLLOKOSA-N 2 0 300.471 3.729 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000414808124 334104754 /nfs/dbraw/zinc/10/47/54/334104754.db2.gz KFLHIOHOUQHQOT-LBPRGKRZSA-N 2 0 306.356 3.598 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CCc2ccc(F)cc2)cc1 ZINC000414809901 334104794 /nfs/dbraw/zinc/10/47/94/334104794.db2.gz HGTSXHABYRFFDA-HUUCEWRRSA-N 2 0 300.421 3.956 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000414811609 334105822 /nfs/dbraw/zinc/10/58/22/334105822.db2.gz PWXQYPNXYOUIHE-GFCCVEGCSA-N 2 0 319.246 3.759 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000414812748 334106237 /nfs/dbraw/zinc/10/62/37/334106237.db2.gz RQVCOQBQUDBFAH-AWEZNQCLSA-N 2 0 310.441 3.710 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414812550 334106354 /nfs/dbraw/zinc/10/63/54/334106354.db2.gz XKBDKAVQFKAWKZ-XNRPHZJLSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000414815861 334106726 /nfs/dbraw/zinc/10/67/26/334106726.db2.gz YOMZRMUZYOGMDG-LBPRGKRZSA-N 2 0 324.346 3.895 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414817197 334106992 /nfs/dbraw/zinc/10/69/92/334106992.db2.gz AEUJEAWLLQVTKZ-VNHYZAJKSA-N 2 0 314.395 3.614 20 0 DHADRP c1ccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000414816722 334107189 /nfs/dbraw/zinc/10/71/89/334107189.db2.gz QHMPVJZQXWDBOJ-JWTNVVGKSA-N 2 0 308.425 3.852 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821314 334108524 /nfs/dbraw/zinc/10/85/24/334108524.db2.gz BBUCAPYGIBOMEL-ACJTYDJDSA-N 2 0 313.272 3.797 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414827798 334109662 /nfs/dbraw/zinc/10/96/62/334109662.db2.gz YKHPUMIBZVKTFZ-UPJWGTAASA-N 2 0 315.288 3.902 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414829892 334110378 /nfs/dbraw/zinc/11/03/78/334110378.db2.gz LIEACTMJSXQUPO-NEPJUHHUSA-N 2 0 301.261 3.514 20 0 DHADRP Fc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)s2)cc1 ZINC000414834327 334111227 /nfs/dbraw/zinc/11/12/27/334111227.db2.gz QPQPRTYVPHASPY-ZDUSSCGKSA-N 2 0 304.434 3.643 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414837672 334111803 /nfs/dbraw/zinc/11/18/03/334111803.db2.gz UVLLDCOQIVOCLR-VDGAXYAQSA-N 2 0 316.489 3.699 20 0 DHADRP Fc1cccc(-c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)s2)c1 ZINC000414842829 334112866 /nfs/dbraw/zinc/11/28/66/334112866.db2.gz ZPJWQUUYXMSPJM-CYBMUJFWSA-N 2 0 304.434 3.643 20 0 DHADRP FC(F)(F)c1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000414848208 334120372 /nfs/dbraw/zinc/12/03/72/334120372.db2.gz KJVBSRRUYKISMR-NSHDSACASA-N 2 0 320.786 3.838 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414854979 334128048 /nfs/dbraw/zinc/12/80/48/334128048.db2.gz MMBPGYITWCADGQ-UMVBOHGHSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000414863105 334133944 /nfs/dbraw/zinc/13/39/44/334133944.db2.gz WSMYMIVPNRBWRB-MJGOQNOKSA-N 2 0 321.553 3.671 20 0 DHADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000414872419 334143289 /nfs/dbraw/zinc/14/32/89/334143289.db2.gz FZJPMIBTOZPOKE-CABCVRRESA-N 2 0 312.379 3.813 20 0 DHADRP [NH3+][C@H](C[NH2+][C@H](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000414895263 334159710 /nfs/dbraw/zinc/15/97/10/334159710.db2.gz WNSYGHCEBJOMDN-NHCUHLMSSA-N 2 0 308.469 3.557 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414901545 334165503 /nfs/dbraw/zinc/16/55/03/334165503.db2.gz GDJNWIJWEHZANN-CZUORRHYSA-N 2 0 314.395 3.616 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNc1ccc(C[NH3+])cc1 ZINC000414906842 334169566 /nfs/dbraw/zinc/16/95/66/334169566.db2.gz COAVZJJNLZBPST-UHFFFAOYSA-N 2 0 311.473 3.715 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000414914045 334175608 /nfs/dbraw/zinc/17/56/08/334175608.db2.gz WQNWSGJJVKWHOW-IUODEOHRSA-N 2 0 301.261 3.958 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414916532 334177511 /nfs/dbraw/zinc/17/75/11/334177511.db2.gz OTAHFWQFJMTGNT-NEPJUHHUSA-N 2 0 301.261 3.656 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414917117 334177561 /nfs/dbraw/zinc/17/75/61/334177561.db2.gz RAXUCIXOCGCAAJ-OAQYLSRUSA-N 2 0 324.468 3.842 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414927883 334190217 /nfs/dbraw/zinc/19/02/17/334190217.db2.gz AIPGOBUGOVYSSO-BBRMVZONSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC[NH2+]1 ZINC000414928364 334191238 /nfs/dbraw/zinc/19/12/38/334191238.db2.gz AVVAEPPYVXSOEY-PBHICJAKSA-N 2 0 314.404 3.848 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414931720 334195178 /nfs/dbraw/zinc/19/51/78/334195178.db2.gz BZSRPJHPWBXVHV-WOSRLPQWSA-N 2 0 314.395 3.614 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414933316 334196442 /nfs/dbraw/zinc/19/64/42/334196442.db2.gz DPOYVTBEVXPOSA-TTYHFUOFSA-N 2 0 316.489 3.698 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)CC[NH2+]1 ZINC000414962401 334213075 /nfs/dbraw/zinc/21/30/75/334213075.db2.gz ZQIJKKYDZSAEFL-CHWSQXEVSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000415082303 334273276 /nfs/dbraw/zinc/27/32/76/334273276.db2.gz DDKPCHDXBQDBEA-ROUUACIJSA-N 2 0 308.469 3.796 20 0 DHADRP c1ccc2cc(OCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000415082445 334273286 /nfs/dbraw/zinc/27/32/86/334273286.db2.gz LSOFFGAKWSQOMV-NJDAHSKKSA-N 2 0 324.468 3.729 20 0 DHADRP Fc1ccc(-c2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414976819 334222759 /nfs/dbraw/zinc/22/27/59/334222759.db2.gz QKEJFFIOJXDUKE-HNNXBMFYSA-N 2 0 319.449 3.571 20 0 DHADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000415085510 334274094 /nfs/dbraw/zinc/27/40/94/334274094.db2.gz QHXOEKRURJBQRS-NZSAHSFTSA-N 2 0 303.494 3.722 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000414990266 334230373 /nfs/dbraw/zinc/23/03/73/334230373.db2.gz ICNOHEXNEKHGOE-AZUAARDMSA-N 2 0 324.468 3.873 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414992458 334231172 /nfs/dbraw/zinc/23/11/72/334231172.db2.gz KMRDOVCBWSAJIB-IUODEOHRSA-N 2 0 319.449 3.556 20 0 DHADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000415085504 334274218 /nfs/dbraw/zinc/27/42/18/334274218.db2.gz QHXOEKRURJBQRS-BHIYHBOVSA-N 2 0 303.494 3.722 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1csc(Cl)c1Cl ZINC000415000563 334239422 /nfs/dbraw/zinc/23/94/22/334239422.db2.gz TUIFWLWPSUKKFV-PDUMLCJASA-N 2 0 305.274 3.660 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000415000392 334239651 /nfs/dbraw/zinc/23/96/51/334239651.db2.gz KFFHWWBRYDAMGM-ONGXEEELSA-N 2 0 305.224 3.740 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000415003432 334241655 /nfs/dbraw/zinc/24/16/55/334241655.db2.gz XDUIFNMXJMIDBO-GOEBONIOSA-N 2 0 315.486 3.726 20 0 DHADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000415087365 334275613 /nfs/dbraw/zinc/27/56/13/334275613.db2.gz SWJMBPRHVBUPKY-UXHICEINSA-N 2 0 312.432 3.760 20 0 DHADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415087243 334275652 /nfs/dbraw/zinc/27/56/52/334275652.db2.gz SQGLQMCYCGXRAM-DFBGVHRSSA-N 2 0 318.358 3.939 20 0 DHADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415087249 334275825 /nfs/dbraw/zinc/27/58/25/334275825.db2.gz SQGLQMCYCGXRAM-UGFHNGPFSA-N 2 0 318.358 3.939 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415011303 334257960 /nfs/dbraw/zinc/25/79/60/334257960.db2.gz HIPUSKARXALJST-SNVBAGLBSA-N 2 0 305.249 3.609 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415016780 334258806 /nfs/dbraw/zinc/25/88/06/334258806.db2.gz CYIXAWHEPBKFKC-HNNXBMFYSA-N 2 0 300.446 3.844 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000415018531 334259055 /nfs/dbraw/zinc/25/90/55/334259055.db2.gz HBUXTOQNQTYEGB-LBPRGKRZSA-N 2 0 315.442 3.773 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000415019612 334259274 /nfs/dbraw/zinc/25/92/74/334259274.db2.gz FIJUTPMJSKYQFD-JOCQHMNTSA-N 2 0 321.515 3.726 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@H](C)CCCC[NH3+])CC2)cc1 ZINC000415022473 334259569 /nfs/dbraw/zinc/25/95/69/334259569.db2.gz ZQSAIVVQIBZTDX-KLHKWILBSA-N 2 0 304.478 3.829 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000415028755 334260125 /nfs/dbraw/zinc/26/01/25/334260125.db2.gz ZFUXOBMROSMFID-HDJSIYSDSA-N 2 0 317.864 3.743 20 0 DHADRP Fc1ccc2oc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000415034159 334260333 /nfs/dbraw/zinc/26/03/33/334260333.db2.gz CHFLRYIQRBIRDG-GUYCJALGSA-N 2 0 302.393 3.536 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC000415052425 334260479 /nfs/dbraw/zinc/26/04/79/334260479.db2.gz LERIGQSUHZAOEE-LJQANCHMSA-N 2 0 305.425 3.805 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415040709 334260798 /nfs/dbraw/zinc/26/07/98/334260798.db2.gz PEPBDYRPTLRFRA-UXHICEINSA-N 2 0 324.468 3.791 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)s2)cc1 ZINC000415041487 334260973 /nfs/dbraw/zinc/26/09/73/334260973.db2.gz PYGFEGQWDQXSQY-GOEBONIOSA-N 2 0 300.471 3.941 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415048787 334261448 /nfs/dbraw/zinc/26/14/48/334261448.db2.gz XILBQPUUIVTHRF-WMZOPIPTSA-N 2 0 310.441 3.579 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000415047070 334261543 /nfs/dbraw/zinc/26/15/43/334261543.db2.gz DORGISFUHVKHFI-RTBURBONSA-N 2 0 314.860 3.877 20 0 DHADRP [NH3+]CC1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000415076443 334267039 /nfs/dbraw/zinc/26/70/39/334267039.db2.gz CIYTUKGNTIUSJH-UHFFFAOYSA-N 2 0 308.469 3.926 20 0 DHADRP c1sc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415089871 334279973 /nfs/dbraw/zinc/27/99/73/334279973.db2.gz YIIFKFVYIKWVDZ-KURKYZTESA-N 2 0 314.498 3.954 20 0 DHADRP C[C@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415089812 334280084 /nfs/dbraw/zinc/28/00/84/334280084.db2.gz YDQNKXWGFQJBOV-IAQYHMDHSA-N 2 0 301.261 3.686 20 0 DHADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415101831 334282569 /nfs/dbraw/zinc/28/25/69/334282569.db2.gz IIUYEFSDERAHFA-WOSRLPQWSA-N 2 0 314.395 3.929 20 0 DHADRP [NH3+][C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1c1cccc(F)c1 ZINC000415118478 334284014 /nfs/dbraw/zinc/28/40/14/334284014.db2.gz DHJQONBGMXXOGY-DLBZAZTESA-N 2 0 320.358 3.690 20 0 DHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCC3CCCCC3)CC2)C1 ZINC000415120815 334284216 /nfs/dbraw/zinc/28/42/16/334284216.db2.gz HCDSNEYHLHEAQG-MOPGFXCFSA-N 2 0 308.510 3.565 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[NH+](C)C ZINC000531932192 334296557 /nfs/dbraw/zinc/29/65/57/334296557.db2.gz HSLYHNNQOHKMMS-QGZVFWFLSA-N 2 0 302.487 3.882 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)C1CCOCC1 ZINC000531977386 334346776 /nfs/dbraw/zinc/34/67/76/334346776.db2.gz MAXGGUIMSMNGLN-IBGZPJMESA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000531979699 334351228 /nfs/dbraw/zinc/35/12/28/334351228.db2.gz FGNHEQHBERIRIW-XLIONFOSSA-N 2 0 318.505 3.692 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534973440 334351376 /nfs/dbraw/zinc/35/13/76/334351376.db2.gz ROXKLNUBTHRYTK-SCLBCKFNSA-N 2 0 304.865 3.791 20 0 DHADRP C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531987712 334361162 /nfs/dbraw/zinc/36/11/62/334361162.db2.gz BBANFMPPCBNLLV-HNNXBMFYSA-N 2 0 316.489 3.714 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000443640822 338458709 /nfs/dbraw/zinc/45/87/09/338458709.db2.gz OGANROCAEMVRBF-UYAOXDASSA-N 2 0 322.537 3.802 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCC2 ZINC000344080857 335216264 /nfs/dbraw/zinc/21/62/64/335216264.db2.gz WPSSTCJIDSRXMW-ZWKOTPCHSA-N 2 0 308.510 3.580 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCCO2 ZINC000344308442 335239421 /nfs/dbraw/zinc/23/94/21/335239421.db2.gz YODXVVJMHXCXBJ-KRWDZBQOSA-N 2 0 320.864 3.714 20 0 DHADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000344334629 335241901 /nfs/dbraw/zinc/24/19/01/335241901.db2.gz SOTZSBHQXNGNPT-OAUYIBNBSA-N 2 0 320.864 3.626 20 0 DHADRP COc1cccc(Cl)c1C[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000344523312 335254908 /nfs/dbraw/zinc/25/49/08/335254908.db2.gz XSQMUOVZLUTKGY-CYBMUJFWSA-N 2 0 319.836 3.521 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1sc(C)nc1C ZINC000344856171 335280192 /nfs/dbraw/zinc/28/01/92/335280192.db2.gz ZHOOFUWEDJKYER-CVEARBPZSA-N 2 0 309.523 3.750 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000346176881 335378060 /nfs/dbraw/zinc/37/80/60/335378060.db2.gz SAXNHEUFIZOMJI-ZWKOTPCHSA-N 2 0 310.526 3.636 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1CCC(C)C ZINC000346179853 335378313 /nfs/dbraw/zinc/37/83/13/335378313.db2.gz PDSSINOPXMMVNY-SFHVURJKSA-N 2 0 312.461 3.976 20 0 DHADRP CC(C)N1CCc2nc(C[NH+](CC3CC3)CC3CC3)sc2C1 ZINC000346158521 335383048 /nfs/dbraw/zinc/38/30/48/335383048.db2.gz CHVNJWBIBIIUQB-UHFFFAOYSA-N 2 0 319.518 3.532 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3C[C@H](C)CC[C@@H]3C)sc2C1 ZINC000346233021 335386759 /nfs/dbraw/zinc/38/67/59/335386759.db2.gz ZCOPGGCDMSQAKX-KGLIPLIRSA-N 2 0 307.507 3.530 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000346953499 335452844 /nfs/dbraw/zinc/45/28/44/335452844.db2.gz FMXZRXUGEQZAPK-UHFFFAOYSA-N 2 0 307.457 3.555 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192437400 336032341 /nfs/dbraw/zinc/03/23/41/336032341.db2.gz HQZZFBMUTOBLBA-SJLPKXTDSA-N 2 0 318.505 3.653 20 0 DHADRP CC[N@H+](CCC1CCN([C@H](C)c2noc(C)n2)CC1)CC(C)C ZINC000351582793 336046832 /nfs/dbraw/zinc/04/68/32/336046832.db2.gz RAUZPBMRHMAHAN-OAHLLOKOSA-N 2 0 322.497 3.519 20 0 DHADRP Cc1ccc(C)n1C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351638962 336053860 /nfs/dbraw/zinc/05/38/60/336053860.db2.gz NVTMETPZQVZXDR-SFHVURJKSA-N 2 0 303.494 3.616 20 0 DHADRP C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000352050950 336192074 /nfs/dbraw/zinc/19/20/74/336192074.db2.gz WYPNUCKMMGDYCZ-IEBWSBKVSA-N 2 0 304.453 3.723 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000352442850 336219332 /nfs/dbraw/zinc/21/93/32/336219332.db2.gz YKZMTESTSXGALO-INIZCTEOSA-N 2 0 312.457 3.565 20 0 DHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352535246 336223101 /nfs/dbraw/zinc/22/31/01/336223101.db2.gz OEISDIHUCXLPHP-LJQANCHMSA-N 2 0 324.472 3.553 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cn1 ZINC000352721315 336232497 /nfs/dbraw/zinc/23/24/97/336232497.db2.gz RNXYMVGYOFWNGI-QGZVFWFLSA-N 2 0 301.409 3.523 20 0 DHADRP CCc1ccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000352761106 336233433 /nfs/dbraw/zinc/23/34/33/336233433.db2.gz UNUUNIRQCKKZGO-UHFFFAOYSA-N 2 0 315.505 3.777 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000352754837 336235107 /nfs/dbraw/zinc/23/51/07/336235107.db2.gz KGELOLVBVRQFQW-KRWDZBQOSA-N 2 0 324.468 3.709 20 0 DHADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000532485190 336251582 /nfs/dbraw/zinc/25/15/82/336251582.db2.gz MTYGQPGEVGQCDQ-HRCADAONSA-N 2 0 321.484 3.663 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000532523047 336252985 /nfs/dbraw/zinc/25/29/85/336252985.db2.gz UEZPIGLJZVKREK-MRXNPFEDSA-N 2 0 304.478 3.776 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+]Cc1cscc1C(F)(F)F ZINC000352834992 336271723 /nfs/dbraw/zinc/27/17/23/336271723.db2.gz NDXGRDDCWMCRMR-JTQLQIEISA-N 2 0 317.380 3.698 20 0 DHADRP C[C@@H]1C[C@@H](Nc2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301559341 336314868 /nfs/dbraw/zinc/31/48/68/336314868.db2.gz UDCHXCHGPIDMNT-QAPCUYQASA-N 2 0 322.456 3.819 20 0 DHADRP C[C@H]1C[C@@H](Nc2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301559343 336314885 /nfs/dbraw/zinc/31/48/85/336314885.db2.gz UDCHXCHGPIDMNT-YJBOKZPZSA-N 2 0 322.456 3.819 20 0 DHADRP Cc1cc(NC2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301704140 336324512 /nfs/dbraw/zinc/32/45/12/336324512.db2.gz ARNPOYIWUAVPKA-UHFFFAOYSA-N 2 0 321.371 3.651 20 0 DHADRP CC(C)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nc(C(C)C)n1 ZINC000301846528 336333758 /nfs/dbraw/zinc/33/37/58/336333758.db2.gz AXUHXMQJTYDVEZ-NVXWUHKLSA-N 2 0 316.493 3.644 20 0 DHADRP CCc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2[nH+]1 ZINC000301996533 336342177 /nfs/dbraw/zinc/34/21/77/336342177.db2.gz TWRILYMWGXWLFF-QGZVFWFLSA-N 2 0 309.457 3.862 20 0 DHADRP COc1cccc2c1ncc(C)c2NCCc1ccc(C)nc1 ZINC000302666048 336364012 /nfs/dbraw/zinc/36/40/12/336364012.db2.gz QCJLZKJXUZYEAD-UHFFFAOYSA-N 2 0 307.397 3.910 20 0 DHADRP CC(C)c1nc(N2CCC([NH2+]C3CC3)CC2)cc(C(C)(C)C)n1 ZINC000302756352 336367937 /nfs/dbraw/zinc/36/79/37/336367937.db2.gz ITKYHHOENKJPHX-UHFFFAOYSA-N 2 0 316.493 3.618 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000353024280 336380387 /nfs/dbraw/zinc/38/03/87/336380387.db2.gz ZQRMRXHCFUZHSE-CRAIPNDOSA-N 2 0 304.503 3.514 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000563976846 336389334 /nfs/dbraw/zinc/38/93/34/336389334.db2.gz VVGXATMSFCZBAZ-FGTMMUONSA-N 2 0 322.880 3.667 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320952991 336390424 /nfs/dbraw/zinc/39/04/24/336390424.db2.gz NMLYXUXNASWFJE-YUELXQCFSA-N 2 0 312.379 3.698 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353506220 336421448 /nfs/dbraw/zinc/42/14/48/336421448.db2.gz XFEHPOUXPONDJW-LADRWXRNSA-N 2 0 302.462 3.535 20 0 DHADRP Cc1ccc(CCC[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000354167533 336461990 /nfs/dbraw/zinc/46/19/90/336461990.db2.gz XSWHEUKFUAXCJU-UHFFFAOYSA-N 2 0 323.484 3.708 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC000358052715 336608820 /nfs/dbraw/zinc/60/88/20/336608820.db2.gz YQRVGAFZCNAZMH-MDZRGWNJSA-N 2 0 322.468 3.756 20 0 DHADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000360707874 336719875 /nfs/dbraw/zinc/71/98/75/336719875.db2.gz OHAMPMSFWRXPOQ-SJORKVTESA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000368440914 336844877 /nfs/dbraw/zinc/84/48/77/336844877.db2.gz IZJZYDNYCLIVMW-VNCLNFNDSA-N 2 0 304.453 3.753 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000121678736 336970326 /nfs/dbraw/zinc/97/03/26/336970326.db2.gz GQAXEETXWDPMFU-GOSISDBHSA-N 2 0 320.452 3.751 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376081330 337026542 /nfs/dbraw/zinc/02/65/42/337026542.db2.gz JOTVSEOFHJPFQZ-KWCYVHTRSA-N 2 0 310.894 3.745 20 0 DHADRP COC1(C[C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)CCC1 ZINC000376098536 337026958 /nfs/dbraw/zinc/02/69/58/337026958.db2.gz QDJKAEXPGLEZEA-INIZCTEOSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000377121613 337047141 /nfs/dbraw/zinc/04/71/41/337047141.db2.gz WJNLARLHTSEXDC-CTNGQTDRSA-N 2 0 323.484 3.959 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc(C3CCCC3)s2)C1 ZINC000377839705 337062378 /nfs/dbraw/zinc/06/23/78/337062378.db2.gz LOLPXTDTDIBQCX-NVXWUHKLSA-N 2 0 319.518 3.717 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378190893 337068062 /nfs/dbraw/zinc/06/80/62/337068062.db2.gz QESRWJPBPBNICV-RJZRQDKASA-N 2 0 324.921 3.967 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000378517691 337075016 /nfs/dbraw/zinc/07/50/16/337075016.db2.gz KMUZETPVOMOQNW-IMFGXOCKSA-N 2 0 312.457 3.883 20 0 DHADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582472027 337095291 /nfs/dbraw/zinc/09/52/91/337095291.db2.gz XUXITXSXNFJOAP-KBXCAEBGSA-N 2 0 311.429 3.557 20 0 DHADRP c1csc([C@@H]2c3ccsc3CC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178956360 337166642 /nfs/dbraw/zinc/16/66/42/337166642.db2.gz MRRKETUXYHCVFJ-KRWDZBQOSA-N 2 0 318.511 3.757 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000180404628 337174238 /nfs/dbraw/zinc/17/42/38/337174238.db2.gz QYWRSWIVKDZKBD-LJQANCHMSA-N 2 0 304.478 3.999 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C[C@H]2CCCS2)C3)cc1 ZINC000180158505 337175021 /nfs/dbraw/zinc/17/50/21/337175021.db2.gz QXJVEOAZPWXLGO-XVLXNVKGSA-N 2 0 316.514 3.667 20 0 DHADRP CC(C)CSCCC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000582978628 337222354 /nfs/dbraw/zinc/22/23/54/337222354.db2.gz OAYIDMQMVZJPPV-ROUUACIJSA-N 2 0 306.519 3.801 20 0 DHADRP Cc1cccc2oc(CC[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)nc21 ZINC000583078268 337236504 /nfs/dbraw/zinc/23/65/04/337236504.db2.gz HVYRPDKJVKKPOQ-HZPDHXFCSA-N 2 0 315.461 3.579 20 0 DHADRP CCSc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000186269906 337255516 /nfs/dbraw/zinc/25/55/16/337255516.db2.gz ZKAJCNTZMATLCS-SJLPKXTDSA-N 2 0 304.503 3.715 20 0 DHADRP Cc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000187101968 337262428 /nfs/dbraw/zinc/26/24/28/337262428.db2.gz QGJITGXHFFFHQB-FQEVSTJZSA-N 2 0 323.484 3.652 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000583230732 337280999 /nfs/dbraw/zinc/28/09/99/337280999.db2.gz DBETYVPCXCVWKW-HOJAQTOUSA-N 2 0 300.490 3.671 20 0 DHADRP COCCC1(C[NH+]2CCC([NH+]3CCCC3)CC2)CCCCC1 ZINC000189631932 337281027 /nfs/dbraw/zinc/28/10/27/337281027.db2.gz VLKDTLLTGTTWQG-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1nc(-c2ccccc2)cs1 ZINC000583290378 337307270 /nfs/dbraw/zinc/30/72/70/337307270.db2.gz UDZHZPZCPDVQAM-PBHICJAKSA-N 2 0 315.486 3.582 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOc1cccc(C(C)(C)C)c1 ZINC000584477815 337347938 /nfs/dbraw/zinc/34/79/38/337347938.db2.gz XCNLHQREOYGCFY-DOTOQJQBSA-N 2 0 304.478 3.565 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1)CC(C)C ZINC000584583028 337368444 /nfs/dbraw/zinc/36/84/44/337368444.db2.gz BPRQWOLWEFROPI-QUCCMNQESA-N 2 0 324.553 3.882 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332228 337499397 /nfs/dbraw/zinc/49/93/97/337499397.db2.gz GJAGBVGVDXGETF-ZWKOTPCHSA-N 2 0 304.865 3.791 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCCC[C@@H]2C(C)C)cc1 ZINC000420419190 337500914 /nfs/dbraw/zinc/50/09/14/337500914.db2.gz XIVWOTKXSPMVET-QRQLOZEOSA-N 2 0 304.478 3.542 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000421368721 337532791 /nfs/dbraw/zinc/53/27/91/337532791.db2.gz GHCBEQXHHHRUJM-ZTRSQXPZSA-N 2 0 301.478 3.570 20 0 DHADRP CCCCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421369124 337532918 /nfs/dbraw/zinc/53/29/18/337532918.db2.gz HHYFHXUGLPGNLW-UHFFFAOYSA-N 2 0 304.478 3.828 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)c(F)c1 ZINC000421873225 337657629 /nfs/dbraw/zinc/65/76/29/337657629.db2.gz HPPHRUWZDJOMFG-ZOJXTTQQSA-N 2 0 320.452 3.748 20 0 DHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421882293 337658636 /nfs/dbraw/zinc/65/86/36/337658636.db2.gz RVZQNUGBKYKDFP-LRVUVFPRSA-N 2 0 310.869 3.872 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000422703870 337683593 /nfs/dbraw/zinc/68/35/93/337683593.db2.gz JEDWIKFYRLKYPG-PBHICJAKSA-N 2 0 310.457 3.726 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422703026 337683686 /nfs/dbraw/zinc/68/36/86/337683686.db2.gz GQDAWUGTUXMVHB-CEXWTWQISA-N 2 0 300.490 3.783 20 0 DHADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422727608 337684304 /nfs/dbraw/zinc/68/43/04/337684304.db2.gz HNXVRADDYDMVCJ-YSSFQJQWSA-N 2 0 323.484 3.850 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000422752087 337685002 /nfs/dbraw/zinc/68/50/02/337685002.db2.gz GVZSCSMJORSNTR-YQQAZPJKSA-N 2 0 320.477 3.523 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422751583 337685066 /nfs/dbraw/zinc/68/50/66/337685066.db2.gz BOTIVTZATGJCLB-NDUPCHFUSA-N 2 0 314.473 3.658 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1csc2ccccc12 ZINC000422765092 337685703 /nfs/dbraw/zinc/68/57/03/337685703.db2.gz QELXIECUEDRSLQ-GFCCVEGCSA-N 2 0 311.454 3.914 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H](C)CCCC[NH3+])c2ccccc2)cc1 ZINC000422770152 337685781 /nfs/dbraw/zinc/68/57/81/337685781.db2.gz UKOKVAUNLNLVPM-UZLBHIALSA-N 2 0 312.457 3.892 20 0 DHADRP CCN(c1ccccc1)c1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422787420 337686584 /nfs/dbraw/zinc/68/65/84/337686584.db2.gz LYDOHWDHDWOSGR-INIZCTEOSA-N 2 0 309.457 3.542 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422791347 337686687 /nfs/dbraw/zinc/68/66/87/337686687.db2.gz UWCDQLPHEWGPPS-BSDSXHPESA-N 2 0 322.880 3.538 20 0 DHADRP c1cncc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422801626 337687395 /nfs/dbraw/zinc/68/73/95/337687395.db2.gz CFDHZOQFTQJPRZ-PWRODBHTSA-N 2 0 321.468 3.759 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422805257 337687536 /nfs/dbraw/zinc/68/75/36/337687536.db2.gz IZSJJVJOIVDTBL-YESZJQIVSA-N 2 0 322.493 3.948 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)s1 ZINC000422808208 337687552 /nfs/dbraw/zinc/68/75/52/337687552.db2.gz NVHFTVPOFPMKMI-AAEUAGOBSA-N 2 0 303.475 3.939 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(c2ccccc2)CCC1 ZINC000422811137 337687597 /nfs/dbraw/zinc/68/75/97/337687597.db2.gz ONNMRXGBZLUIIW-XLIONFOSSA-N 2 0 308.469 3.656 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422816956 337688035 /nfs/dbraw/zinc/68/80/35/337688035.db2.gz BTHSPBNNMULWAI-WFASDCNBSA-N 2 0 301.261 3.643 20 0 DHADRP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841714 337688643 /nfs/dbraw/zinc/68/86/43/337688643.db2.gz WRMGXMSTJMVYSA-TZMCWYRMSA-N 2 0 318.383 3.580 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422842108 337688680 /nfs/dbraw/zinc/68/86/80/337688680.db2.gz XQZZZJYBBYSZRN-INIZCTEOSA-N 2 0 324.468 3.896 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837802 337688687 /nfs/dbraw/zinc/68/86/87/337688687.db2.gz MWEZMDFVAHMSKH-CABCVRRESA-N 2 0 310.441 3.504 20 0 DHADRP CCCCCOc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422893759 337690458 /nfs/dbraw/zinc/69/04/58/337690458.db2.gz RFFYFCICWSNPHU-HUUCEWRRSA-N 2 0 320.477 3.523 20 0 DHADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1cc(F)ccc1F ZINC000422917304 337691301 /nfs/dbraw/zinc/69/13/01/337691301.db2.gz FWFSBHDGLOFNBM-XIKOKIGWSA-N 2 0 319.399 3.929 20 0 DHADRP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)c1c(F)cccc1Cl ZINC000422919526 337691470 /nfs/dbraw/zinc/69/14/70/337691470.db2.gz JWUNRHCBAFGPEO-UHFFFAOYSA-N 2 0 312.860 3.864 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCCCOc2ccc(Cl)cc2)CC1 ZINC000422931731 337692099 /nfs/dbraw/zinc/69/20/99/337692099.db2.gz CRASHOXSEVNMFN-UHFFFAOYSA-N 2 0 310.869 3.606 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000422932289 337692112 /nfs/dbraw/zinc/69/21/12/337692112.db2.gz YYYAJERGCGCNJF-SGMGOOAPSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422932620 337692253 /nfs/dbraw/zinc/69/22/53/337692253.db2.gz GCDUBCWQMIGNOH-PXNSSMCTSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422932621 337692274 /nfs/dbraw/zinc/69/22/74/337692274.db2.gz GCDUBCWQMIGNOH-XLIONFOSSA-N 2 0 324.468 3.743 20 0 DHADRP COc1ccc(C2([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000422939834 337692678 /nfs/dbraw/zinc/69/26/78/337692678.db2.gz SABWPPPWRSGSGC-DOTOQJQBSA-N 2 0 302.462 3.585 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccc(F)cc2)cc1 ZINC000422946294 337693234 /nfs/dbraw/zinc/69/32/34/337693234.db2.gz OSUZTXXNFGYUDN-CKFHNAJUSA-N 2 0 316.420 3.639 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000422950167 337694431 /nfs/dbraw/zinc/69/44/31/337694431.db2.gz XGBFJOXKHQHFCK-KPZWWZAWSA-N 2 0 315.848 3.840 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2c1cccc2Br ZINC000422955627 337694771 /nfs/dbraw/zinc/69/47/71/337694771.db2.gz JUVUJIDDNRLWHK-XHDPSFHLSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423016039 337695675 /nfs/dbraw/zinc/69/56/75/337695675.db2.gz ATOHQVKTYMGOSS-HUUCEWRRSA-N 2 0 323.550 3.884 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1Cl ZINC000423039079 337696604 /nfs/dbraw/zinc/69/66/04/337696604.db2.gz PQTMTZDJNRETRQ-LBPRGKRZSA-N 2 0 303.837 3.661 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423041539 337696830 /nfs/dbraw/zinc/69/68/30/337696830.db2.gz JJMOKCFFMXUTNH-CHWSQXEVSA-N 2 0 302.384 3.744 20 0 DHADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423056494 337697504 /nfs/dbraw/zinc/69/75/04/337697504.db2.gz GATAENZVZRZQFB-ALGQRKQJSA-N 2 0 312.501 3.908 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423057047 337697575 /nfs/dbraw/zinc/69/75/75/337697575.db2.gz GRRNYCHQAHPORM-HUBLWGQQSA-N 2 0 300.368 3.539 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423062260 337697784 /nfs/dbraw/zinc/69/77/84/337697784.db2.gz SSCBHINRWXTLGZ-ZDUSSCGKSA-N 2 0 314.395 3.844 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423069350 337698179 /nfs/dbraw/zinc/69/81/79/337698179.db2.gz AUQZDYLODLUTRB-GBESFXJTSA-N 2 0 301.478 3.519 20 0 DHADRP Cc1c2cc(Cl)ccc2sc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423095996 337699113 /nfs/dbraw/zinc/69/91/13/337699113.db2.gz GUTJJVMOIUWNAR-RYUDHWBXSA-N 2 0 308.878 3.951 20 0 DHADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423095201 337699191 /nfs/dbraw/zinc/69/91/91/337699191.db2.gz LPJAHDAOENMBJO-NTDXCCSUSA-N 2 0 320.427 3.721 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423054495 337699669 /nfs/dbraw/zinc/69/96/69/337699669.db2.gz URDUGWSLILWSKG-RBUKOAKNSA-N 2 0 316.489 3.623 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423105086 337699685 /nfs/dbraw/zinc/69/96/85/337699685.db2.gz NBPSUZHEJLYHSI-DCGLDWPTSA-N 2 0 310.869 3.523 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113860 337700194 /nfs/dbraw/zinc/70/01/94/337700194.db2.gz ZKOKYDOHEGLLDW-KBPBESRZSA-N 2 0 300.899 3.974 20 0 DHADRP CC(C)(C)C(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423120963 337700478 /nfs/dbraw/zinc/70/04/78/337700478.db2.gz ADAUBDUSAOJQLJ-OXJNMPFZSA-N 2 0 316.489 3.904 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423128327 337700693 /nfs/dbraw/zinc/70/06/93/337700693.db2.gz VRYBLYAREPLQCN-AFYVEPGGSA-N 2 0 316.489 3.807 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423128098 337700762 /nfs/dbraw/zinc/70/07/62/337700762.db2.gz VBORYCLYGXKZTF-UZLBHIALSA-N 2 0 312.457 3.696 20 0 DHADRP [NH3+]CC1CCC([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000423132373 337700990 /nfs/dbraw/zinc/70/09/90/337700990.db2.gz JCLCXGPMUMPCQC-BCLQGDPASA-N 2 0 314.395 3.830 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000423190098 337703088 /nfs/dbraw/zinc/70/30/88/337703088.db2.gz RONZLNHPTMBURO-XJKSGUPXSA-N 2 0 312.379 3.683 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423204400 337703928 /nfs/dbraw/zinc/70/39/28/337703928.db2.gz AMXFHEIFAKFIEO-ZUWCUPBKSA-N 2 0 312.910 3.871 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423209723 337704294 /nfs/dbraw/zinc/70/42/94/337704294.db2.gz JKAFKXYZOJCNKR-CHWSQXEVSA-N 2 0 314.445 3.694 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)c(F)c1 ZINC000423212654 337704532 /nfs/dbraw/zinc/70/45/32/337704532.db2.gz IWYFRYBMUJZFFL-OIKLOGQESA-N 2 0 315.230 3.509 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423222299 337705578 /nfs/dbraw/zinc/70/55/78/337705578.db2.gz ANEUGXUMRLDBLS-UGSOOPFHSA-N 2 0 304.384 3.576 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423222586 337705660 /nfs/dbraw/zinc/70/56/60/337705660.db2.gz BSYJKSXFDVMPRK-UWVGGRQHSA-N 2 0 311.223 3.583 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423240598 337706600 /nfs/dbraw/zinc/70/66/00/337706600.db2.gz CKIRBSFZNZFRQS-WFASDCNBSA-N 2 0 316.367 3.626 20 0 DHADRP Fc1ccc(C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423248101 337707249 /nfs/dbraw/zinc/70/72/49/337707249.db2.gz MNUZITGWEAUGQS-XLIONFOSSA-N 2 0 312.432 3.699 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423248622 337707287 /nfs/dbraw/zinc/70/72/87/337707287.db2.gz NRCPKVPJGHERBJ-DYESRHJHSA-N 2 0 324.468 3.568 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423255297 337707723 /nfs/dbraw/zinc/70/77/23/337707723.db2.gz BONCRCFJUPHRKN-LAUBAEHRSA-N 2 0 324.468 3.764 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423264801 337708176 /nfs/dbraw/zinc/70/81/76/337708176.db2.gz ZCGBXBCTKQASHH-JKSUJKDBSA-N 2 0 312.457 3.889 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292635 337710330 /nfs/dbraw/zinc/71/03/30/337710330.db2.gz NPIIAEQWHHOSRJ-KPZWWZAWSA-N 2 0 314.404 3.631 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423294586 337710749 /nfs/dbraw/zinc/71/07/49/337710749.db2.gz UXEYCPMGOQPPFY-XOBRGWDASA-N 2 0 310.441 3.882 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000423296823 337711024 /nfs/dbraw/zinc/71/10/24/337711024.db2.gz ZXOWBJWAEHQFHQ-YRISNDGFSA-N 2 0 324.468 3.964 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OCC ZINC000423321948 337711829 /nfs/dbraw/zinc/71/18/29/337711829.db2.gz GQJKZOICJRBRSE-HNNXBMFYSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423328558 337712262 /nfs/dbraw/zinc/71/22/62/337712262.db2.gz KUZMCDPBVKHMQV-NSHDSACASA-N 2 0 306.397 3.731 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000423349833 337713271 /nfs/dbraw/zinc/71/32/71/337713271.db2.gz XSTRNORRGBFBBT-SNVBAGLBSA-N 2 0 316.779 3.512 20 0 DHADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423350614 337713477 /nfs/dbraw/zinc/71/34/77/337713477.db2.gz ZXFWGESXIOSWQF-LJQANCHMSA-N 2 0 302.462 3.682 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423350708 337713532 /nfs/dbraw/zinc/71/35/32/337713532.db2.gz GRIVNUYKHPTDFW-ZDUSSCGKSA-N 2 0 312.379 3.536 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423364741 337714645 /nfs/dbraw/zinc/71/46/45/337714645.db2.gz BCDJQZMBNZIITP-XEZPLFJOSA-N 2 0 315.486 3.910 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423368978 337714771 /nfs/dbraw/zinc/71/47/71/337714771.db2.gz DPJVTVMTTFBPJW-FXAWDEMLSA-N 2 0 321.468 3.809 20 0 DHADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423325882 337715421 /nfs/dbraw/zinc/71/54/21/337715421.db2.gz JYAVZPCRBPBAAG-OAHLLOKOSA-N 2 0 312.404 3.718 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423401188 337715724 /nfs/dbraw/zinc/71/57/24/337715724.db2.gz VWADOHLNCFZQRH-WCFLWFBJSA-N 2 0 302.340 3.506 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000423421092 337716808 /nfs/dbraw/zinc/71/68/08/337716808.db2.gz ASNMFGDTSWOWAW-RRDPMTENSA-N 2 0 318.427 3.721 20 0 DHADRP COCCC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1 ZINC000423424112 337716835 /nfs/dbraw/zinc/71/68/35/337716835.db2.gz MMJDALVIKXACPX-GPMSIDNRSA-N 2 0 322.468 3.648 20 0 DHADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)cc1 ZINC000423427575 337717085 /nfs/dbraw/zinc/71/70/85/337717085.db2.gz FYWFWLUXIASRNN-OQIJWPOYSA-N 2 0 318.892 3.954 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427507 337717093 /nfs/dbraw/zinc/71/70/93/337717093.db2.gz FUALGXOFFUPLME-OAUYIBNBSA-N 2 0 322.880 3.777 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423380761 337717597 /nfs/dbraw/zinc/71/75/97/337717597.db2.gz NXLCZASHDXWYIB-UXIGCNINSA-N 2 0 310.894 3.997 20 0 DHADRP COc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000423394330 337718621 /nfs/dbraw/zinc/71/86/21/337718621.db2.gz RFRPHHIGYIYGLZ-FQEVSTJZSA-N 2 0 310.441 3.785 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2ccccc2s1 ZINC000423450914 337720016 /nfs/dbraw/zinc/72/00/16/337720016.db2.gz XTHZBMUEMDOPSC-VBNZEHGJSA-N 2 0 300.471 3.940 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000423453543 337720203 /nfs/dbraw/zinc/72/02/03/337720203.db2.gz ANXHTCBBOONOMU-ZMSDIMECSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000423468707 337720963 /nfs/dbraw/zinc/72/09/63/337720963.db2.gz URKMJUNTIBNSKR-YWPYICTPSA-N 2 0 300.368 3.874 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCS2 ZINC000423471068 337721138 /nfs/dbraw/zinc/72/11/38/337721138.db2.gz DWECOKAGONATQG-WMLDXEAASA-N 2 0 320.502 3.744 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423474493 337721416 /nfs/dbraw/zinc/72/14/16/337721416.db2.gz HKVNRPZILDSWTH-WCQYABFASA-N 2 0 316.367 3.610 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423474421 337721484 /nfs/dbraw/zinc/72/14/84/337721484.db2.gz HHZVEPOWEJENAS-AEFFLSMTSA-N 2 0 304.478 3.904 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000423475581 337721629 /nfs/dbraw/zinc/72/16/29/337721629.db2.gz QCQDUGKVBQIDBG-JGGQBBKZSA-N 2 0 308.853 3.661 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423482207 337722046 /nfs/dbraw/zinc/72/20/46/337722046.db2.gz OVLPNYBUGXDLIW-ILXRZTDVSA-N 2 0 317.502 3.910 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000423484824 337722171 /nfs/dbraw/zinc/72/21/71/337722171.db2.gz AISVMZUFVLHFQX-HOSYDEDBSA-N 2 0 318.795 3.719 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1SC ZINC000423487581 337722304 /nfs/dbraw/zinc/72/23/04/337722304.db2.gz UJUVKULHGUEBSY-ZFWWWQNUSA-N 2 0 308.491 3.600 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000423502133 337723300 /nfs/dbraw/zinc/72/33/00/337723300.db2.gz JOEHVSRESOJQAT-XYVMCAHJSA-N 2 0 306.881 3.768 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000423506227 337723651 /nfs/dbraw/zinc/72/36/51/337723651.db2.gz OYBRWORGCPTKIV-GOSISDBHSA-N 2 0 323.569 3.773 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCS2 ZINC000423535085 337724873 /nfs/dbraw/zinc/72/48/73/337724873.db2.gz BZAWZHFCTDJDHU-QGZVFWFLSA-N 2 0 302.487 3.740 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423540274 337725208 /nfs/dbraw/zinc/72/52/08/337725208.db2.gz JNJCPFAZWXMDJJ-CMQWMLGXSA-N 2 0 318.892 3.954 20 0 DHADRP Clc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000423549128 337725398 /nfs/dbraw/zinc/72/53/98/337725398.db2.gz RWIXFBKOOUWUOX-CWLKWCNXSA-N 2 0 304.865 3.769 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423548285 337725421 /nfs/dbraw/zinc/72/54/21/337725421.db2.gz MKXLDKZYWIIBTR-WZGPROSRSA-N 2 0 316.489 3.904 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCC[NH2+]C2CC2)sc1Br ZINC000423548050 337725460 /nfs/dbraw/zinc/72/54/60/337725460.db2.gz GNEAPGZXRGDSNU-JTQLQIEISA-N 2 0 317.296 3.612 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423556844 337725482 /nfs/dbraw/zinc/72/54/82/337725482.db2.gz ZHSGIPBYKMHHQH-JRULLXGZSA-N 2 0 324.921 3.871 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(-c2ccncc2)c1 ZINC000423553880 337725502 /nfs/dbraw/zinc/72/55/02/337725502.db2.gz WGBAHTWUIXBUJL-LWILDLIXSA-N 2 0 321.468 3.787 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000423573153 337725770 /nfs/dbraw/zinc/72/57/70/337725770.db2.gz YYQWTGYNSKYBSB-LBPRGKRZSA-N 2 0 314.351 3.546 20 0 DHADRP CC[NH+]1CCC([NH2+]CC(C)(C)c2c(F)cccc2Cl)CC1 ZINC000537059527 337884200 /nfs/dbraw/zinc/88/42/00/337884200.db2.gz MNZVBFSVDVZJKD-UHFFFAOYSA-N 2 0 312.860 3.831 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1nccs1 ZINC000090775339 337885280 /nfs/dbraw/zinc/88/52/80/337885280.db2.gz USZVVYKFFAWHCD-QQFBHYJXSA-N 2 0 307.507 3.837 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000122270816 337913601 /nfs/dbraw/zinc/91/36/01/337913601.db2.gz DGSMNQSYGTVMBC-QGZVFWFLSA-N 2 0 322.880 3.794 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccccc1N(C)C ZINC000093941538 337923074 /nfs/dbraw/zinc/92/30/74/337923074.db2.gz MPPIQDWCERRQTN-INIZCTEOSA-N 2 0 311.473 3.665 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCCC1 ZINC000537295936 337928944 /nfs/dbraw/zinc/92/89/44/337928944.db2.gz OENSEHFYIABTFM-HCXYKTFWSA-N 2 0 322.537 3.680 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC000515412728 337988243 /nfs/dbraw/zinc/98/82/43/337988243.db2.gz JFMVTUCWIYBGLK-UHFFFAOYSA-N 2 0 318.505 3.736 20 0 DHADRP C[C@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C[NH+](C)C ZINC000425925392 338019050 /nfs/dbraw/zinc/01/90/50/338019050.db2.gz RBOUDLNGNOZXEL-WBMJQRKESA-N 2 0 314.395 3.944 20 0 DHADRP C[C@@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C[NH+](C)C ZINC000425925387 338019056 /nfs/dbraw/zinc/01/90/56/338019056.db2.gz RBOUDLNGNOZXEL-LRDDRELGSA-N 2 0 314.395 3.944 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C)(C(C)C)CC1 ZINC000428490153 338054911 /nfs/dbraw/zinc/05/49/11/338054911.db2.gz ZSYGUYKYHWWHHV-UHFFFAOYSA-N 2 0 312.461 3.834 20 0 DHADRP Cc1cc(F)ccc1C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000428735114 338059956 /nfs/dbraw/zinc/05/99/56/338059956.db2.gz CKFKWSFOGBIMOG-SFHVURJKSA-N 2 0 304.453 3.798 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cccs4)cc3)C2)C1 ZINC000429034407 338069426 /nfs/dbraw/zinc/06/94/26/338069426.db2.gz IKDWSWNMNGXKNM-IBGZPJMESA-N 2 0 312.482 3.943 20 0 DHADRP CC(C)Sc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429038021 338069440 /nfs/dbraw/zinc/06/94/40/338069440.db2.gz VUWSFPMHFXNYDN-SFHVURJKSA-N 2 0 304.503 3.715 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000429245689 338074529 /nfs/dbraw/zinc/07/45/29/338074529.db2.gz KYLGGYWOBHAIBQ-ZWKOTPCHSA-N 2 0 321.509 3.753 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429423734 338080604 /nfs/dbraw/zinc/08/06/04/338080604.db2.gz YZGVRVKRQGWUEW-NRFANRHFSA-N 2 0 324.443 3.961 20 0 DHADRP COC1(C[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000429528073 338083131 /nfs/dbraw/zinc/08/31/31/338083131.db2.gz NWCTZBARPZOJNQ-ZWKOTPCHSA-N 2 0 318.505 3.834 20 0 DHADRP CC[NH2+]CC1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000430557138 338108659 /nfs/dbraw/zinc/10/86/59/338108659.db2.gz MYCNAXMGZYFTSA-UHFFFAOYSA-N 2 0 312.457 3.540 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000430585948 338109285 /nfs/dbraw/zinc/10/92/85/338109285.db2.gz UIRCIGYRCKXNOJ-KGLIPLIRSA-N 2 0 312.910 3.881 20 0 DHADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000430718083 338112222 /nfs/dbraw/zinc/11/22/22/338112222.db2.gz BJJSKRLNHGMAIL-DLRXZHIHSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H](CC[NH2+]CCSCc1ccccc1)[NH+]1CCCCC1 ZINC000430759848 338114024 /nfs/dbraw/zinc/11/40/24/338114024.db2.gz ZJLRADXDRSNWHV-KRWDZBQOSA-N 2 0 306.519 3.774 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]CCSCc2ccccc2)c1 ZINC000430770855 338114447 /nfs/dbraw/zinc/11/44/47/338114447.db2.gz WRWGNCOMRTYSHC-UHFFFAOYSA-N 2 0 314.498 3.771 20 0 DHADRP C[NH2+]CC1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000430924862 338118934 /nfs/dbraw/zinc/11/89/34/338118934.db2.gz JYAQATALTKTVLG-UHFFFAOYSA-N 2 0 312.457 3.540 20 0 DHADRP Clc1ccc(CCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000431148417 338124141 /nfs/dbraw/zinc/12/41/41/338124141.db2.gz GQTDWJJLCBZOTK-GOSISDBHSA-N 2 0 316.832 3.821 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)C[C@H]1C ZINC000432366519 338154230 /nfs/dbraw/zinc/15/42/30/338154230.db2.gz BEJCMXQYSITRPW-MKXGPGLRSA-N 2 0 310.526 3.538 20 0 DHADRP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432408363 338155158 /nfs/dbraw/zinc/15/51/58/338155158.db2.gz BHEYZMKXDLZDIB-ICSRJNTNSA-N 2 0 318.505 3.864 20 0 DHADRP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432408362 338155168 /nfs/dbraw/zinc/15/51/68/338155168.db2.gz BHEYZMKXDLZDIB-AZUAARDMSA-N 2 0 318.505 3.864 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cc(C)ccc1C ZINC000432887168 338171977 /nfs/dbraw/zinc/17/19/77/338171977.db2.gz QKHXRDCKLFFTSS-UHFFFAOYSA-N 2 0 320.440 3.825 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1F ZINC000152630471 338209197 /nfs/dbraw/zinc/20/91/97/338209197.db2.gz HCMLOIZOPLHWBP-GFCCVEGCSA-N 2 0 308.441 3.794 20 0 DHADRP CC[N@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435389486 338238767 /nfs/dbraw/zinc/23/87/67/338238767.db2.gz KPZYOJAYTOYIHS-HXUWFJFHSA-N 2 0 309.457 3.713 20 0 DHADRP FC(F)(F)CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690290 338245440 /nfs/dbraw/zinc/24/54/40/338245440.db2.gz AGMPSFXFGAKVOP-ZDUSSCGKSA-N 2 0 318.408 3.645 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436274358 338264908 /nfs/dbraw/zinc/26/49/08/338264908.db2.gz LQEDCKDFPCVFKJ-AWEZNQCLSA-N 2 0 305.441 3.907 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000438090840 338330953 /nfs/dbraw/zinc/33/09/53/338330953.db2.gz WGFXCZULJZIOFP-ZWKOTPCHSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000438090835 338331081 /nfs/dbraw/zinc/33/10/81/338331081.db2.gz WGFXCZULJZIOFP-MSOLQXFVSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccc(F)cc1 ZINC000438097456 338331441 /nfs/dbraw/zinc/33/14/41/338331441.db2.gz TXZXTNPAENATTQ-WBVHZDCISA-N 2 0 304.453 3.593 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130949 338333753 /nfs/dbraw/zinc/33/37/53/338333753.db2.gz VLHMADZCKSJSAP-SJORKVTESA-N 2 0 304.453 3.737 20 0 DHADRP C[C@H]([NH2+]CCC(C)(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000438185573 338335594 /nfs/dbraw/zinc/33/55/94/338335594.db2.gz MRBPUWJGPANDKE-HNNXBMFYSA-N 2 0 321.484 3.664 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CC(F)(F)C2)C1 ZINC000450407685 338384677 /nfs/dbraw/zinc/38/46/77/338384677.db2.gz ULWYLSCTUORSDX-CABCVRRESA-N 2 0 300.437 3.618 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440571364 338390717 /nfs/dbraw/zinc/39/07/17/338390717.db2.gz YFOLTVXKMQSJKO-LXZJYRNTSA-N 2 0 320.521 3.530 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000446887974 338539595 /nfs/dbraw/zinc/53/95/95/338539595.db2.gz AZZZCPIPHDEEGL-OAHLLOKOSA-N 2 0 320.502 3.910 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446887705 338539602 /nfs/dbraw/zinc/53/96/02/338539602.db2.gz XKKPOJJEKUOCPZ-QGZVFWFLSA-N 2 0 300.490 3.780 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447945728 338572498 /nfs/dbraw/zinc/57/24/98/338572498.db2.gz RJNPKILLNFESIY-UHFFFAOYSA-N 2 0 309.523 3.652 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449025477 338584751 /nfs/dbraw/zinc/58/47/51/338584751.db2.gz CFMOYFMYFIQHDJ-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449067200 338590037 /nfs/dbraw/zinc/59/00/37/338590037.db2.gz JIFWUYAAPOMNPT-OAHLLOKOSA-N 2 0 300.446 3.826 20 0 DHADRP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)C[NH+]1CCCC1 ZINC000449092160 338592585 /nfs/dbraw/zinc/59/25/85/338592585.db2.gz RXHTWOYIEUEQJT-LRYGQEGESA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@@H](O)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449162140 338598259 /nfs/dbraw/zinc/59/82/59/338598259.db2.gz QSJLWCOLZGPTPZ-QGZVFWFLSA-N 2 0 312.542 3.806 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449167549 338598648 /nfs/dbraw/zinc/59/86/48/338598648.db2.gz KGZWXEGEHRMLEV-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP COc1cc2ccccc2cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000449231580 338604712 /nfs/dbraw/zinc/60/47/12/338604712.db2.gz PTCWDFXWVSIVCU-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP C([NH2+]C1CCC(OC2CCCC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000449286317 338609670 /nfs/dbraw/zinc/60/96/70/338609670.db2.gz GYPZRVVSLOHRNZ-UHFFFAOYSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC(C)(F)C2)CC1 ZINC000449375370 338619196 /nfs/dbraw/zinc/61/91/96/338619196.db2.gz GUOXZURIUPYILD-MNNVXMFVSA-N 2 0 304.453 3.562 20 0 DHADRP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449487784 338629918 /nfs/dbraw/zinc/62/99/18/338629918.db2.gz ZGKFGSMECROSLX-QRQLOZEOSA-N 2 0 300.490 3.718 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000449505968 338632937 /nfs/dbraw/zinc/63/29/37/338632937.db2.gz ZUDPPBPWCVCWRY-PXNSSMCTSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]1CCCC[C@H]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459418345 339028123 /nfs/dbraw/zinc/02/81/23/339028123.db2.gz VFKNCSYWXAHDJL-IRXDYDNUSA-N 2 0 301.478 3.856 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)[C@H](C)C2 ZINC000459469392 339031117 /nfs/dbraw/zinc/03/11/17/339031117.db2.gz SENXVNNWYDNBQL-IIBYNOLFSA-N 2 0 321.468 3.882 20 0 DHADRP CC(C)[C@H](C[NH2+]C1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000459491867 339032493 /nfs/dbraw/zinc/03/24/93/339032493.db2.gz DJFOLAXUWRHOMO-SFHVURJKSA-N 2 0 300.490 3.718 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C12CCC2 ZINC000459782656 339048266 /nfs/dbraw/zinc/04/82/66/339048266.db2.gz MTPNEEDCSXDCDC-XGXHKWSGSA-N 2 0 320.521 3.577 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459794901 339049012 /nfs/dbraw/zinc/04/90/12/339049012.db2.gz UWYUQRYMPMMDTA-MTMYEVCSSA-N 2 0 316.489 3.558 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCCCCOc2ccccc2)C1 ZINC000459796664 339049162 /nfs/dbraw/zinc/04/91/62/339049162.db2.gz WDSNVOSILFJEAK-GOSISDBHSA-N 2 0 304.478 3.557 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000462102416 339072159 /nfs/dbraw/zinc/07/21/59/339072159.db2.gz BZNGGAZOIBTJNK-WOJBJXKFSA-N 2 0 316.489 3.679 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000462119470 339072398 /nfs/dbraw/zinc/07/23/98/339072398.db2.gz YQRQPZAEYDIYAF-UONOGXRCSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750236 339086697 /nfs/dbraw/zinc/08/66/97/339086697.db2.gz NBQMLBJFKPVJDE-IAGOWNOFSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000462787495 339088688 /nfs/dbraw/zinc/08/86/88/339088688.db2.gz KGSDYGJVRKARLF-PXTPFGJHSA-N 2 0 322.537 3.539 20 0 DHADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1Cl ZINC000462807870 339090446 /nfs/dbraw/zinc/09/04/46/339090446.db2.gz BROHUGYCFSWRDQ-CGTJXYLNSA-N 2 0 306.881 3.653 20 0 DHADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1Cl ZINC000462807873 339090468 /nfs/dbraw/zinc/09/04/68/339090468.db2.gz BROHUGYCFSWRDQ-NXHRZFHOSA-N 2 0 306.881 3.653 20 0 DHADRP CO[C@](C)(C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000462905905 339097220 /nfs/dbraw/zinc/09/72/20/339097220.db2.gz LACRIJCNVKBSIV-HXUWFJFHSA-N 2 0 318.505 3.549 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000464060406 339132401 /nfs/dbraw/zinc/13/24/01/339132401.db2.gz BVOYMBORCBBFEZ-IPMKNSEASA-N 2 0 310.526 3.683 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000467342505 339232571 /nfs/dbraw/zinc/23/25/71/339232571.db2.gz KJELDYGQWJJVJU-ZDUSSCGKSA-N 2 0 314.395 3.568 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000467372108 339234933 /nfs/dbraw/zinc/23/49/33/339234933.db2.gz ZIQSUUPFGCMJRZ-QRQLOZEOSA-N 2 0 315.505 3.738 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467387881 339236182 /nfs/dbraw/zinc/23/61/82/339236182.db2.gz DTGFHPIVMVGCJN-CHWSQXEVSA-N 2 0 302.384 3.566 20 0 DHADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000467431736 339237992 /nfs/dbraw/zinc/23/79/92/339237992.db2.gz DDEBLXDPZVIVRX-HNBVOPMISA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000467444548 339239048 /nfs/dbraw/zinc/23/90/48/339239048.db2.gz HPVSMZYDXDHCJB-SOLBZPMBSA-N 2 0 304.478 3.714 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@H](C)C1 ZINC000468801214 339271325 /nfs/dbraw/zinc/27/13/25/339271325.db2.gz BRZBZTRBRVHKLM-IEBWSBKVSA-N 2 0 300.490 3.818 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000468870292 339273185 /nfs/dbraw/zinc/27/31/85/339273185.db2.gz GXEQTVOQBBLPBJ-KSZLIROESA-N 2 0 318.505 3.679 20 0 DHADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C[C@@H]12 ZINC000469871375 339303346 /nfs/dbraw/zinc/30/33/46/339303346.db2.gz RUCOLJBCENEEPY-IAOVAPTHSA-N 2 0 316.445 3.723 20 0 DHADRP CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]CC1CC[NH2+]CC1 ZINC000469976538 339306565 /nfs/dbraw/zinc/30/65/65/339306565.db2.gz NLZJOLLMVBKEEQ-UHFFFAOYSA-N 2 0 315.288 3.904 20 0 DHADRP FC(F)(F)c1cccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)c1 ZINC000469987805 339306881 /nfs/dbraw/zinc/30/68/81/339306881.db2.gz WKMILFNZPTVIHB-UHFFFAOYSA-N 2 0 312.379 3.674 20 0 DHADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000469990372 339307047 /nfs/dbraw/zinc/30/70/47/339307047.db2.gz JKNWDHTWCVIVDE-ZDUSSCGKSA-N 2 0 304.434 3.596 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000469990002 339307077 /nfs/dbraw/zinc/30/70/77/339307077.db2.gz IEVRQLLQRLVCRZ-UHFFFAOYSA-N 2 0 312.432 3.924 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000469989481 339307111 /nfs/dbraw/zinc/30/71/11/339307111.db2.gz GPLDEZMQOFOLEY-UHFFFAOYSA-N 2 0 318.461 3.986 20 0 DHADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(C)cc3)s2)C1 ZINC000470007725 339308308 /nfs/dbraw/zinc/30/83/08/339308308.db2.gz FYOBPQDDKGBVFD-OAHLLOKOSA-N 2 0 300.471 3.765 20 0 DHADRP Cc1ccc(-c2ccc(C[N@@H+](C)C3CC[NH2+]CC3)s2)cc1 ZINC000470011571 339308422 /nfs/dbraw/zinc/30/84/22/339308422.db2.gz BGTWLQCTKCTUNH-UHFFFAOYSA-N 2 0 300.471 3.907 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000470023212 339309012 /nfs/dbraw/zinc/30/90/12/339309012.db2.gz XRRNGHLBQQJXLR-UHFFFAOYSA-N 2 0 302.393 3.517 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000470110957 339311017 /nfs/dbraw/zinc/31/10/17/339311017.db2.gz QOVIFALWQWVPKJ-WBMJQRKESA-N 2 0 315.288 3.856 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000471218210 339340214 /nfs/dbraw/zinc/34/02/14/339340214.db2.gz BBGFIBJQQIQCKI-QAPCUYQASA-N 2 0 308.897 3.935 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000472577229 339374099 /nfs/dbraw/zinc/37/40/99/339374099.db2.gz CDEJOWWRBPBGNH-QGZVFWFLSA-N 2 0 306.519 3.833 20 0 DHADRP COc1ccc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000472590448 339374659 /nfs/dbraw/zinc/37/46/59/339374659.db2.gz STUFYXBHHOGEFE-IBGZPJMESA-N 2 0 316.489 3.749 20 0 DHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000473250060 339383973 /nfs/dbraw/zinc/38/39/73/339383973.db2.gz KYPDYGWDOHBEQM-GOSISDBHSA-N 2 0 319.493 3.634 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000474037297 339398323 /nfs/dbraw/zinc/39/83/23/339398323.db2.gz QHWOKPMLPOZXPR-KRWDZBQOSA-N 2 0 304.478 3.595 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C(C)C ZINC000474041439 339398478 /nfs/dbraw/zinc/39/84/78/339398478.db2.gz ZBNVVLAGRFVEIM-IPMKNSEASA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000474594406 339419198 /nfs/dbraw/zinc/41/91/98/339419198.db2.gz AOMGDTIQGMPTDX-AKHDSKFASA-N 2 0 310.526 3.680 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000474796798 339426411 /nfs/dbraw/zinc/42/64/11/339426411.db2.gz BWRDHTDLKQQFIY-UXHICEINSA-N 2 0 317.521 3.813 20 0 DHADRP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000480335557 339568959 /nfs/dbraw/zinc/56/89/59/339568959.db2.gz OFBRQMZFFCLULS-ZDUSSCGKSA-N 2 0 302.384 3.959 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC000480670583 339582598 /nfs/dbraw/zinc/58/25/98/339582598.db2.gz QUUQBHAILREPJY-IPYPFGDCSA-N 2 0 306.416 3.818 20 0 DHADRP CC(C)(C[NH2+]Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000480932403 339591199 /nfs/dbraw/zinc/59/11/99/339591199.db2.gz IDAHCNGFIAMQSP-UHFFFAOYSA-N 2 0 314.395 3.917 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000483861769 339677103 /nfs/dbraw/zinc/67/71/03/339677103.db2.gz JXTGMIYWZYISIW-GOSISDBHSA-N 2 0 304.478 3.781 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000484288148 339683738 /nfs/dbraw/zinc/68/37/38/339683738.db2.gz IADMSXLMGVMPIL-OXJNMPFZSA-N 2 0 318.505 3.573 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000484293258 339684007 /nfs/dbraw/zinc/68/40/07/339684007.db2.gz KDBPKDFIAWRVRD-APWZRJJASA-N 2 0 306.494 3.817 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486686685 339731303 /nfs/dbraw/zinc/73/13/03/339731303.db2.gz IBUNFCCJZVWJTA-UHFFFAOYSA-N 2 0 317.452 3.909 20 0 DHADRP C(=C\c1ccncc1)\C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000486960873 339740379 /nfs/dbraw/zinc/74/03/79/339740379.db2.gz BNYMSWHOAMSCSR-DAXSKMNVSA-N 2 0 321.468 3.597 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCOc2ccccc2C)CC1 ZINC000488265650 339774973 /nfs/dbraw/zinc/77/49/73/339774973.db2.gz HFQXQRWRHHGULO-UHFFFAOYSA-N 2 0 318.505 3.818 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCC[NH+](C)C)CCCO2 ZINC000489573637 339813266 /nfs/dbraw/zinc/81/32/66/339813266.db2.gz PPHBHUIMSRGGIA-INIZCTEOSA-N 2 0 310.869 3.794 20 0 DHADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000493060964 339916233 /nfs/dbraw/zinc/91/62/33/339916233.db2.gz QURRBZNKUXQBOE-KRWDZBQOSA-N 2 0 307.457 3.918 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000494379014 339947934 /nfs/dbraw/zinc/94/79/34/339947934.db2.gz VEDMQHVDQXJWAN-UHFFFAOYSA-N 2 0 318.505 3.681 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000494906845 339964284 /nfs/dbraw/zinc/96/42/84/339964284.db2.gz FSZDIKVSOIPJNC-GQIGUUNPSA-N 2 0 316.489 3.541 20 0 DHADRP C[C@@H]([NH2+]CCCCC1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000499624729 340041330 /nfs/dbraw/zinc/04/13/30/340041330.db2.gz JICIJKAQNSHNSR-MJGOQNOKSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000501386202 340079860 /nfs/dbraw/zinc/07/98/60/340079860.db2.gz KIUSLHPRMDPVAI-SFHVURJKSA-N 2 0 318.505 3.822 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000516583888 340085726 /nfs/dbraw/zinc/08/57/26/340085726.db2.gz KZAFYZNWGCNCAL-NJDAHSKKSA-N 2 0 308.469 3.872 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000501779934 340088519 /nfs/dbraw/zinc/08/85/19/340088519.db2.gz ZRLRTVKRNQGQRX-UHFFFAOYSA-N 2 0 300.446 3.987 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000502687308 340110636 /nfs/dbraw/zinc/11/06/36/340110636.db2.gz QATFIOXOFIOYLX-YRXWBPOGSA-N 2 0 310.526 3.539 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000502860638 340114977 /nfs/dbraw/zinc/11/49/77/340114977.db2.gz YYZOITYTILKBCL-GOSISDBHSA-N 2 0 304.453 3.565 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000503037981 340119408 /nfs/dbraw/zinc/11/94/08/340119408.db2.gz UPUNRLKEDOULED-CTNGQTDRSA-N 2 0 324.468 3.520 20 0 DHADRP C/C(=C\c1ccccc1C(F)(F)F)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000503952422 340138295 /nfs/dbraw/zinc/13/82/95/340138295.db2.gz IQJLJWYHTOKBBI-QSNQCMLGSA-N 2 0 324.390 3.793 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)ccc1F ZINC000504929434 340156706 /nfs/dbraw/zinc/15/67/06/340156706.db2.gz IUISRIICCPZNHR-CXAGYDPISA-N 2 0 310.457 3.851 20 0 DHADRP COc1cccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506595763 340197247 /nfs/dbraw/zinc/19/72/47/340197247.db2.gz RCKMGOQSRPARKO-IEBWSBKVSA-N 2 0 316.489 3.782 20 0 DHADRP CCCN(C)[C@H](C[NH2+][C@@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609176 340197524 /nfs/dbraw/zinc/19/75/24/340197524.db2.gz BSSWUKYIUAPMSC-WMLDXEAASA-N 2 0 312.885 3.738 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000506861212 340202877 /nfs/dbraw/zinc/20/28/77/340202877.db2.gz KKZSXXZWHXTLPY-UXHICEINSA-N 2 0 300.490 3.844 20 0 DHADRP Cc1cc2cc(C[NH+]3CCC(C[NH+](C)C)CC3)oc2cc1C ZINC000506933309 340203861 /nfs/dbraw/zinc/20/38/61/340203861.db2.gz WFBLRKYYKQBFET-UHFFFAOYSA-N 2 0 300.446 3.823 20 0 DHADRP COCc1ccccc1/C=C(\C)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000507370877 340218197 /nfs/dbraw/zinc/21/81/97/340218197.db2.gz XNVWVPPNUZJEFY-WQJNHMDYSA-N 2 0 316.489 3.510 20 0 DHADRP C1=C(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000507462617 340220759 /nfs/dbraw/zinc/22/07/59/340220759.db2.gz PIPZRXQEMMBWFT-PCCBWWKXSA-N 2 0 310.485 3.987 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000507629290 340226810 /nfs/dbraw/zinc/22/68/10/340226810.db2.gz ZYKBAMCNHMBUJH-MOPGFXCFSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000510170463 340291544 /nfs/dbraw/zinc/29/15/44/340291544.db2.gz QBHVMYIKFWIDBP-NFBGWVBBSA-N 2 0 308.416 3.832 20 0 DHADRP CC1CC[NH+](CCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000510176245 340291670 /nfs/dbraw/zinc/29/16/70/340291670.db2.gz NIXKHZMTHLFXAX-RQOWECAXSA-N 2 0 308.416 3.690 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000303055256 340298822 /nfs/dbraw/zinc/29/88/22/340298822.db2.gz OSTAGCBXLUVRAL-IBGZPJMESA-N 2 0 312.432 3.888 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000510655113 340305414 /nfs/dbraw/zinc/30/54/14/340305414.db2.gz GKRGQWNDSQLRKQ-FHERZECASA-N 2 0 324.459 3.996 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000510701153 340307191 /nfs/dbraw/zinc/30/71/91/340307191.db2.gz GREQFPDYZHYQIP-CQSZACIVSA-N 2 0 322.443 3.892 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000510701152 340307254 /nfs/dbraw/zinc/30/72/54/340307254.db2.gz GREQFPDYZHYQIP-AWEZNQCLSA-N 2 0 322.443 3.892 20 0 DHADRP CC(C)Sc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000511110871 340320943 /nfs/dbraw/zinc/32/09/43/340320943.db2.gz OGZLYZQESWLAEA-KRWDZBQOSA-N 2 0 306.519 3.961 20 0 DHADRP C[C@@H](CC[NH2+]C/C=C\c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000511937712 340343240 /nfs/dbraw/zinc/34/32/40/340343240.db2.gz JEQWMLMKLRURJX-YVACAVLKSA-N 2 0 308.416 3.832 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C(C)(C)C ZINC000512050639 340346748 /nfs/dbraw/zinc/34/67/48/340346748.db2.gz CYTBOWNTDYOUTG-TUYSUELWSA-N 2 0 310.432 3.934 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512061467 340347183 /nfs/dbraw/zinc/34/71/83/340347183.db2.gz YAAIPKJPBLRIQN-ARJAWSKDSA-N 2 0 308.416 3.690 20 0 DHADRP C[C@@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000512107162 340348696 /nfs/dbraw/zinc/34/86/96/340348696.db2.gz PTYBTVYROIZWHH-YVACAVLKSA-N 2 0 308.416 3.690 20 0 DHADRP Cc1ccc(SCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000512582697 340367958 /nfs/dbraw/zinc/36/79/58/340367958.db2.gz ODQWHCAANASYOO-JWTNVVGKSA-N 2 0 318.530 3.953 20 0 DHADRP c1coc(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512652785 340371051 /nfs/dbraw/zinc/37/10/51/340371051.db2.gz BMBHMCCCYAXUSI-JBACZVJFSA-N 2 0 324.468 3.712 20 0 DHADRP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH2+][C@H]4CC=CCC4)[C@@H]3C2)cc1 ZINC000512672690 340372288 /nfs/dbraw/zinc/37/22/88/340372288.db2.gz LUGCTFGNGQITLU-PLACYPQZSA-N 2 0 310.485 3.985 20 0 DHADRP CCC1CCC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000512840032 340380233 /nfs/dbraw/zinc/38/02/33/340380233.db2.gz LVYROGOOEAYRSB-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513367502 340404005 /nfs/dbraw/zinc/40/40/05/340404005.db2.gz VEGPPWTVYPEOHW-KRWDZBQOSA-N 2 0 308.416 3.664 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(-c2cccnc2)cc1 ZINC000517730969 340476355 /nfs/dbraw/zinc/47/63/55/340476355.db2.gz SEZYVIOFJHYSMM-SHPPYHEDSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000227497135 340599735 /nfs/dbraw/zinc/59/97/35/340599735.db2.gz PSQBSEYHJGAXLV-ZDUSSCGKSA-N 2 0 303.475 3.679 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126421093 340826936 /nfs/dbraw/zinc/82/69/36/340826936.db2.gz BNVXJYCLBNENJX-KBXCAEBGSA-N 2 0 308.897 3.907 20 0 DHADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000539071933 340870483 /nfs/dbraw/zinc/87/04/83/340870483.db2.gz FWPQEHHLDKFDHL-AKHDSKFASA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000540191781 340922477 /nfs/dbraw/zinc/92/24/77/340922477.db2.gz WUHOLQUJGSMYHE-GOSISDBHSA-N 2 0 317.521 3.613 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cl ZINC000540952987 340952949 /nfs/dbraw/zinc/95/29/49/340952949.db2.gz CQHUKEOPDYLLAQ-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCCCC1 ZINC000541566070 340974893 /nfs/dbraw/zinc/97/48/93/340974893.db2.gz OUYRWYOCOIZOPA-DBVUQKKJSA-N 2 0 322.537 3.703 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000542318024 341004346 /nfs/dbraw/zinc/00/43/46/341004346.db2.gz MHTNPMKJIRTTRH-SCLBCKFNSA-N 2 0 322.412 3.582 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000130382466 341020506 /nfs/dbraw/zinc/02/05/06/341020506.db2.gz XBWWKOIVYQKLJZ-ILXRZTDVSA-N 2 0 306.416 3.962 20 0 DHADRP C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511038 341048057 /nfs/dbraw/zinc/04/80/57/341048057.db2.gz CBUXVMQEIMRLSD-KBPBESRZSA-N 2 0 309.523 3.966 20 0 DHADRP CCC(CC)(CC)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543617663 341051103 /nfs/dbraw/zinc/05/11/03/341051103.db2.gz CVMRJRIGEYWMDP-UHFFFAOYSA-N 2 0 323.569 3.552 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccc(Cl)cc43)CC[C@@H]21 ZINC000544145938 341072104 /nfs/dbraw/zinc/07/21/04/341072104.db2.gz OSAJXNHVACZFTO-JLSDUUJJSA-N 2 0 304.865 3.743 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000544347493 341077277 /nfs/dbraw/zinc/07/72/77/341077277.db2.gz XVXDIAGRYUGVCN-RYGJVYDSSA-N 2 0 324.472 3.976 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000544407035 341080627 /nfs/dbraw/zinc/08/06/27/341080627.db2.gz CJSABYAQLYLIPK-ICSRJNTNSA-N 2 0 300.490 3.816 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000237184926 341208793 /nfs/dbraw/zinc/20/87/93/341208793.db2.gz DTFHIUPTKLXCHQ-OAHLLOKOSA-N 2 0 318.461 3.986 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000547396779 341210989 /nfs/dbraw/zinc/21/09/89/341210989.db2.gz OXXZLAHCXWMVLB-HIFRSBDPSA-N 2 0 314.395 3.568 20 0 DHADRP Cc1cc(C)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000237667552 341218027 /nfs/dbraw/zinc/21/80/27/341218027.db2.gz SINXHPNHWAQJLZ-KDURUIRLSA-N 2 0 318.505 3.591 20 0 DHADRP CC(C)CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000549542132 341296940 /nfs/dbraw/zinc/29/69/40/341296940.db2.gz COZOZBCTJZPHCS-ZIFCJYIRSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000245540912 341300823 /nfs/dbraw/zinc/30/08/23/341300823.db2.gz NHMAGWVIZNLNQQ-IIMDRIAPSA-N 2 0 323.484 3.889 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261548514 341302989 /nfs/dbraw/zinc/30/29/89/341302989.db2.gz JKPMRYZNJHNUGM-FQEVSTJZSA-N 2 0 324.468 3.743 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839932 341304628 /nfs/dbraw/zinc/30/46/28/341304628.db2.gz DDNCMXYRJRACQT-MRXNPFEDSA-N 2 0 313.272 3.911 20 0 DHADRP CCOc1cccc2cc([C@@H](C)NC[C@H]3CC[N@H+](CC)C3)oc21 ZINC000245830165 341315706 /nfs/dbraw/zinc/31/57/06/341315706.db2.gz BNZSZTKXWJHOOH-HUUCEWRRSA-N 2 0 316.445 3.824 20 0 DHADRP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000245936810 341318903 /nfs/dbraw/zinc/31/89/03/341318903.db2.gz XNJMSWMHUQNHEJ-PXNSSMCTSA-N 2 0 315.505 3.815 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000246019624 341322219 /nfs/dbraw/zinc/32/22/19/341322219.db2.gz LHBIDKORABKUGI-UZLBHIALSA-N 2 0 316.489 3.858 20 0 DHADRP CCOC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000550881849 341325381 /nfs/dbraw/zinc/32/53/81/341325381.db2.gz DTOBGSPJJWXFPU-MJGOQNOKSA-N 2 0 322.537 3.968 20 0 DHADRP Fc1cccc(C2CC([NH2+]CCCCC[NH+]3CCCC3)C2)c1 ZINC000550882939 341325435 /nfs/dbraw/zinc/32/54/35/341325435.db2.gz SJVWLHWMYWUKEA-UHFFFAOYSA-N 2 0 304.453 3.927 20 0 DHADRP CSC1(C[NH2+][C@H]2CCCCC23CCCC3)CC[NH+](C)CC1 ZINC000551197041 341333857 /nfs/dbraw/zinc/33/38/57/341333857.db2.gz MORWJNMUDKYDFS-INIZCTEOSA-N 2 0 310.551 3.906 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CC)CC2)[C@H](C)C1 ZINC000551212122 341334036 /nfs/dbraw/zinc/33/40/36/341334036.db2.gz SFTZZIOEIQJYTJ-NCXUSEDFSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246443930 341348968 /nfs/dbraw/zinc/34/89/68/341348968.db2.gz ORECOTZOJCLULL-SCQOQHIRSA-N 2 0 322.537 3.559 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000551787511 341351434 /nfs/dbraw/zinc/35/14/34/341351434.db2.gz HWEUYUHQXGJTNY-RDJZCZTQSA-N 2 0 302.462 3.753 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)C1 ZINC000246528958 341353195 /nfs/dbraw/zinc/35/31/95/341353195.db2.gz VFRDCYFHEPZCGH-BPQIPLTHSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000246864591 341357982 /nfs/dbraw/zinc/35/79/82/341357982.db2.gz CQRPLHAMQNSHDA-KCYZZUKISA-N 2 0 324.896 3.816 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000246894939 341358286 /nfs/dbraw/zinc/35/82/86/341358286.db2.gz FOEZZVBTIWXZTK-ABAIWWIYSA-N 2 0 313.272 3.912 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247111191 341361080 /nfs/dbraw/zinc/36/10/80/341361080.db2.gz QPHFCBGDKGQEPW-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247223282 341362456 /nfs/dbraw/zinc/36/24/56/341362456.db2.gz WOOCNMOPMGGXJZ-RNQOJCNYSA-N 2 0 316.489 3.535 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000552046617 341364738 /nfs/dbraw/zinc/36/47/38/341364738.db2.gz MOCKPKQPKKBLRJ-HSALFYBXSA-N 2 0 300.490 3.575 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000552049457 341365039 /nfs/dbraw/zinc/36/50/39/341365039.db2.gz WBMAXRCAGWXRBB-VHDGCEQUSA-N 2 0 313.272 3.956 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCn2ccc3cc(Cl)ccc32)CC1 ZINC000552086142 341368497 /nfs/dbraw/zinc/36/84/97/341368497.db2.gz YWVRULDACRXORN-UHFFFAOYSA-N 2 0 319.880 3.757 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000261558422 341372126 /nfs/dbraw/zinc/37/21/26/341372126.db2.gz SJFWPFQLXJWZRS-TZIWHRDSSA-N 2 0 324.468 3.525 20 0 DHADRP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCC(C)CC1)[C@H]1CCOC1 ZINC000248033511 341372366 /nfs/dbraw/zinc/37/23/66/341372366.db2.gz QXRSGYJXWPQXMU-IXDOHACOSA-N 2 0 322.518 3.536 20 0 DHADRP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248392058 341376333 /nfs/dbraw/zinc/37/63/33/341376333.db2.gz CTNBNBBTKZEFGK-BQFCYCMXSA-N 2 0 316.489 3.999 20 0 DHADRP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552225207 341379414 /nfs/dbraw/zinc/37/94/14/341379414.db2.gz DLUQLWHBEMPNLF-XUVXKRRUSA-N 2 0 316.489 3.828 20 0 DHADRP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000552243058 341380797 /nfs/dbraw/zinc/38/07/97/341380797.db2.gz MSEFUTXHMGFDGU-QGZVFWFLSA-N 2 0 306.881 3.812 20 0 DHADRP CCSc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000248802793 341387260 /nfs/dbraw/zinc/38/72/60/341387260.db2.gz ZNNUTZRSEOPILG-MAUKXSAKSA-N 2 0 306.519 3.961 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000552357901 341388856 /nfs/dbraw/zinc/38/88/56/341388856.db2.gz YDXSLNMNQHKHSN-HXUWFJFHSA-N 2 0 310.441 3.864 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC000552536861 341397912 /nfs/dbraw/zinc/39/79/12/341397912.db2.gz XLPMXMYCSUBVMS-IEBWSBKVSA-N 2 0 310.526 3.683 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250851398 341409986 /nfs/dbraw/zinc/40/99/86/341409986.db2.gz LZINNRJAILUREZ-LLLHUVSDSA-N 2 0 302.487 3.734 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000091729215 341428046 /nfs/dbraw/zinc/42/80/46/341428046.db2.gz IAZIBRJZFXGOHK-AWEZNQCLSA-N 2 0 321.534 3.795 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000556077350 341493603 /nfs/dbraw/zinc/49/36/03/341493603.db2.gz WFCFYYBQHFQBHZ-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H]([NH2+]CCc1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000155580155 341609637 /nfs/dbraw/zinc/60/96/37/341609637.db2.gz HWUANKOKDRDRCQ-OAHLLOKOSA-N 2 0 318.486 3.582 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCCS2 ZINC000567639109 341623488 /nfs/dbraw/zinc/62/34/88/341623488.db2.gz WEMZYOWLDAQZDV-HNNXBMFYSA-N 2 0 310.894 3.856 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000567899548 341639489 /nfs/dbraw/zinc/63/94/89/341639489.db2.gz DLMJKWNWGULXIJ-LBPRGKRZSA-N 2 0 306.356 3.598 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)OCO2 ZINC000158161561 341652757 /nfs/dbraw/zinc/65/27/57/341652757.db2.gz LHKTVMMYWWUDJY-INIZCTEOSA-N 2 0 318.461 3.578 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000574182045 341751205 /nfs/dbraw/zinc/75/12/05/341751205.db2.gz VGMMHQVOXNFEDT-AEFFLSMTSA-N 2 0 324.534 3.926 20 0 DHADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000577600576 341922161 /nfs/dbraw/zinc/92/21/61/341922161.db2.gz OXKPCVYKXQRPTL-REMYHPOOSA-N 2 0 316.489 3.552 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CS1 ZINC000368462797 518950674 /nfs/dbraw/zinc/95/06/74/518950674.db2.gz QKNCOESFFAJHST-RDJZCZTQSA-N 2 0 310.551 3.903 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C[NH+]1CCCC1 ZINC000337277414 519267783 /nfs/dbraw/zinc/26/77/83/519267783.db2.gz FRMJSVUZZGJCHK-IEBWSBKVSA-N 2 0 315.505 3.819 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cncs2)c1 ZINC000161717381 519629820 /nfs/dbraw/zinc/62/98/20/519629820.db2.gz NVLFENJYAWRXSV-CQSZACIVSA-N 2 0 303.475 3.834 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941478 519799164 /nfs/dbraw/zinc/79/91/64/519799164.db2.gz SZFIGZMWXGUUOO-FZKQIMNGSA-N 2 0 308.416 3.736 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cn1 ZINC000158201705 519973056 /nfs/dbraw/zinc/97/30/56/519973056.db2.gz WTHGKGIKMZMPHU-QGZVFWFLSA-N 2 0 306.498 3.627 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000131307901 520630274 /nfs/dbraw/zinc/63/02/74/520630274.db2.gz ZNDKBUNXDMLCCY-XCGNWRKASA-N 2 0 324.534 3.585 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000163573116 520749737 /nfs/dbraw/zinc/74/97/37/520749737.db2.gz LPJJIOKKECWUDG-OAHLLOKOSA-N 2 0 315.436 3.913 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000124796974 523819856 /nfs/dbraw/zinc/81/98/56/523819856.db2.gz JWAXTIKVIJPPOS-QGZVFWFLSA-N 2 0 311.473 3.832 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCCC1 ZINC000337264887 524047906 /nfs/dbraw/zinc/04/79/06/524047906.db2.gz STOKZOJUDRTQMQ-PKOBYXMFSA-N 2 0 315.505 3.819 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cccn2C)C1 ZINC000161660488 524096490 /nfs/dbraw/zinc/09/64/90/524096490.db2.gz HXHCGARAWUTMTA-KRWDZBQOSA-N 2 0 311.473 3.547 20 0 DHADRP C[C@H](Cc1ccncc1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000337316703 524757771 /nfs/dbraw/zinc/75/77/71/524757771.db2.gz KSGZQGMTYNLAIN-DBXWQHBBSA-N 2 0 323.484 3.513 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)CC[N@@H+]1C ZINC000155900991 525267551 /nfs/dbraw/zinc/26/75/51/525267551.db2.gz QMFHYXPMIFDECR-QAPCUYQASA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(-c2cccnc2)cc1 ZINC000181325464 525362963 /nfs/dbraw/zinc/36/29/63/525362963.db2.gz FQFFFYSRQZWHCW-JXFKEZNVSA-N 2 0 309.457 3.884 20 0 DHADRP C[C@H]([NH2+]Cc1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156485485 525469381 /nfs/dbraw/zinc/46/93/81/525469381.db2.gz BUQOAUYWDDPQKM-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cncc(F)c1 ZINC000162931033 525521740 /nfs/dbraw/zinc/52/17/40/525521740.db2.gz LIHYSCURRRDGHA-OAHLLOKOSA-N 2 0 313.420 3.667 20 0 DHADRP Cc1ccncc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000339416004 525742561 /nfs/dbraw/zinc/74/25/61/525742561.db2.gz YGTJJPQOXWGQMZ-PZJWPPBQSA-N 2 0 323.484 3.562 20 0 DHADRP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCS1 ZINC000158080913 525847616 /nfs/dbraw/zinc/84/76/16/525847616.db2.gz SHMWBSQXADWLPO-IBGZPJMESA-N 2 0 318.530 3.569 20 0 DHADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325651 526109618 /nfs/dbraw/zinc/10/96/18/526109618.db2.gz HHLOFNLEMGWKEI-OLZOCXBDSA-N 2 0 311.267 3.571 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000364180237 526211123 /nfs/dbraw/zinc/21/11/23/526211123.db2.gz XQAMGHZDZFVVKT-UYAOXDASSA-N 2 0 323.484 3.953 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2ccccn2)CC1 ZINC000158998729 526245998 /nfs/dbraw/zinc/24/59/98/526245998.db2.gz VTGWKLATIQNVTR-SFHVURJKSA-N 2 0 315.505 3.601 20 0 DHADRP c1ccc2ncc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000337134890 526518406 /nfs/dbraw/zinc/51/84/06/526518406.db2.gz LURNRBPICQHSFP-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP c1cncc([C@H]2CCC[C@@H]([NH2+]C3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000337272162 526549730 /nfs/dbraw/zinc/54/97/30/526549730.db2.gz CANWFUXHMDXYAU-FVPXHTFXSA-N 2 0 313.489 3.714 20 0 DHADRP [NH3+]CC1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000339413347 527166017 /nfs/dbraw/zinc/16/60/17/527166017.db2.gz LKZWTTGBHNQDCY-UHFFFAOYSA-N 2 0 314.395 3.699 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000284414581 535474484 /nfs/dbraw/zinc/47/44/84/535474484.db2.gz QUDXIVGFNFTJHD-UHFFFAOYSA-N 2 0 302.462 3.582 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)c1 ZINC000340475420 535609812 /nfs/dbraw/zinc/60/98/12/535609812.db2.gz QVDIRFYIBKFNNU-APWZRJJASA-N 2 0 304.478 3.576 20 0 DHADRP CCC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000353640500 535701424 /nfs/dbraw/zinc/70/14/24/535701424.db2.gz HHGIQVYLVFIRDR-KRWDZBQOSA-N 2 0 306.519 3.945 20 0 DHADRP Cc1[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)cc2[nH]ccc21 ZINC001165046602 721974208 /nfs/dbraw/zinc/97/42/08/721974208.db2.gz AVOUNTLLUGVGAN-INIZCTEOSA-N 2 0 312.461 3.716 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426016467 1013071914 /nfs/dbraw/zinc/07/19/14/1013071914.db2.gz IRXUGHWDJBWJSG-MRXNPFEDSA-N 2 0 318.461 3.750 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000044533223 1013100842 /nfs/dbraw/zinc/10/08/42/1013100842.db2.gz XIYPJWGDCCTENP-OAHLLOKOSA-N 2 0 300.471 3.847 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340473370 1013142737 /nfs/dbraw/zinc/14/27/37/1013142737.db2.gz BNTGFLLIXAFEDN-OAHLLOKOSA-N 2 0 321.534 3.939 20 0 DHADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048631 1013197304 /nfs/dbraw/zinc/19/73/04/1013197304.db2.gz JCXIHKAPTVEGEP-RBUKOAKNSA-N 2 0 310.526 3.564 20 0 DHADRP Clc1cccc(C2CC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000037648924 1013207475 /nfs/dbraw/zinc/20/74/75/1013207475.db2.gz PPCYFVYVNNSQBV-BZOOQXSSSA-N 2 0 304.865 3.660 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000519181916 1013288312 /nfs/dbraw/zinc/28/83/12/1013288312.db2.gz WEJLRYBBIBIJBP-QLFBSQMISA-N 2 0 300.368 3.582 20 0 DHADRP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccnc1 ZINC001167967058 1013337262 /nfs/dbraw/zinc/33/72/62/1013337262.db2.gz ALCKMGRNPLEKOC-RAFMOHDBSA-N 2 0 313.489 3.774 20 0 DHADRP CC(C)(C)Oc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204741934 1013338612 /nfs/dbraw/zinc/33/86/12/1013338612.db2.gz FYMRNWCMWYASET-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP c1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)nc1 ZINC001167967880 1013346050 /nfs/dbraw/zinc/34/60/50/1013346050.db2.gz JZUCHGDFXIJSQE-AQDPXUSMSA-N 2 0 311.473 3.528 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3s1)C2 ZINC001279402566 1013359206 /nfs/dbraw/zinc/35/92/06/1013359206.db2.gz HELVPCWYUFBBKN-GOSISDBHSA-N 2 0 300.471 3.819 20 0 DHADRP C[C@@H](NCc1nccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894434944 1013361622 /nfs/dbraw/zinc/36/16/22/1013361622.db2.gz XGMBUTRRIDXJPE-AEFFLSMTSA-N 2 0 323.484 3.977 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324413231 1013392495 /nfs/dbraw/zinc/39/24/95/1013392495.db2.gz WJIFBDYIRLAOCQ-XLIONFOSSA-N 2 0 324.468 3.812 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCc3ccccc3Cl)C2)C1 ZINC000519554542 1013404569 /nfs/dbraw/zinc/40/45/69/1013404569.db2.gz NSCZLULMIYYRGS-GOSISDBHSA-N 2 0 306.881 3.690 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCc3ccc(F)cc32)ccc1F ZINC000120925162 1013406051 /nfs/dbraw/zinc/40/60/51/1013406051.db2.gz BSKHVPJBRVUDBP-IBGZPJMESA-N 2 0 316.395 3.804 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000315364924 1013410722 /nfs/dbraw/zinc/41/07/22/1013410722.db2.gz CCHOIHYEAQEWBT-STQMWFEESA-N 2 0 312.404 3.669 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167977868 1013457159 /nfs/dbraw/zinc/45/71/59/1013457159.db2.gz HESWCFFFYZSHRO-XYTVBORESA-N 2 0 312.448 3.807 20 0 DHADRP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000608065782 1013487038 /nfs/dbraw/zinc/48/70/38/1013487038.db2.gz YXZYWUIQJPKCET-APWZRJJASA-N 2 0 304.478 3.685 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CCS2 ZINC000427528950 1013549333 /nfs/dbraw/zinc/54/93/33/1013549333.db2.gz ULUOSSLDPYPUJJ-QGZVFWFLSA-N 2 0 302.487 3.692 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000519621306 1013582290 /nfs/dbraw/zinc/58/22/90/1013582290.db2.gz CMYVRTNTQDHXAF-UHFFFAOYSA-N 2 0 320.546 3.972 20 0 DHADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000655689572 1013640483 /nfs/dbraw/zinc/64/04/83/1013640483.db2.gz GPLYSHGNVCQGPS-IBGZPJMESA-N 2 0 321.468 3.944 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121461570 1013642012 /nfs/dbraw/zinc/64/20/12/1013642012.db2.gz NYAQGMQDIJWJRB-SFHVURJKSA-N 2 0 308.416 3.664 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CS1 ZINC000655697923 1013649449 /nfs/dbraw/zinc/64/94/49/1013649449.db2.gz RYQPJMNEVBUNSY-YJBOKZPZSA-N 2 0 304.503 3.656 20 0 DHADRP COc1ccc(C)cc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520205772 1013675232 /nfs/dbraw/zinc/67/52/32/1013675232.db2.gz BURWODVFYWVLDS-HDICACEKSA-N 2 0 318.505 3.851 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655757629 1013693796 /nfs/dbraw/zinc/69/37/96/1013693796.db2.gz VQCGOOSWDNOBRR-HBFSDRIKSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H](CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CC(C)(C)C ZINC000655757778 1013693832 /nfs/dbraw/zinc/69/38/32/1013693832.db2.gz LGWCRLJRTSRWJG-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806145 1013728305 /nfs/dbraw/zinc/72/83/05/1013728305.db2.gz ZWYSPKDKFDFQFU-DUVNUKRYSA-N 2 0 314.395 3.566 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Br)cs1 ZINC000655804418 1013728491 /nfs/dbraw/zinc/72/84/91/1013728491.db2.gz YKKNVJXXCQGGGB-JBLDHEPKSA-N 2 0 317.296 3.501 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCO2 ZINC000655806041 1013728522 /nfs/dbraw/zinc/72/85/22/1013728522.db2.gz XRRGAABHDUODLA-JKIFEVAISA-N 2 0 322.880 3.792 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000655805839 1013724967 /nfs/dbraw/zinc/72/49/67/1013724967.db2.gz UBVBICJWLKVVNI-UIAACRFSSA-N 2 0 312.432 3.845 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000655826653 1013746925 /nfs/dbraw/zinc/74/69/25/1013746925.db2.gz XAOLAKOXDNJGHP-AKAXFMLLSA-N 2 0 302.393 3.516 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000655826482 1013747252 /nfs/dbraw/zinc/74/72/52/1013747252.db2.gz FXKJBUQBJKHTKR-AKAXFMLLSA-N 2 0 318.461 3.984 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000655837813 1013761534 /nfs/dbraw/zinc/76/15/34/1013761534.db2.gz WRLQSXUXOJWWSI-HLIPFELVSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850065 1013777001 /nfs/dbraw/zinc/77/70/01/1013777001.db2.gz CVSDAZUWUMBHSP-KSWRQPAISA-N 2 0 304.503 3.847 20 0 DHADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC2(CCCC2)O1 ZINC000655852248 1013780372 /nfs/dbraw/zinc/78/03/72/1013780372.db2.gz LNOAULAAFFMMOU-LJQANCHMSA-N 2 0 320.521 3.865 20 0 DHADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC2(CCCC2)O1 ZINC000655852247 1013780659 /nfs/dbraw/zinc/78/06/59/1013780659.db2.gz LNOAULAAFFMMOU-IBGZPJMESA-N 2 0 320.521 3.865 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000340439254 1013791896 /nfs/dbraw/zinc/79/18/96/1013791896.db2.gz IPGGMLBFXGXFGG-HKUYNNGSSA-N 2 0 322.537 3.826 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000340445709 1013802515 /nfs/dbraw/zinc/80/25/15/1013802515.db2.gz YMKZMLHRHJGHKI-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000340468051 1013834101 /nfs/dbraw/zinc/83/41/01/1013834101.db2.gz ISKNLLFVUYYPQR-LPHOPBHVSA-N 2 0 316.489 3.871 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cc(C(C)C)ccc2OC)CC1 ZINC000655938249 1013837225 /nfs/dbraw/zinc/83/72/25/1013837225.db2.gz PXRPLNMCSZHKQA-UHFFFAOYSA-N 2 0 304.478 3.640 20 0 DHADRP COc1ccc(C(C)C)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000655941523 1013839212 /nfs/dbraw/zinc/83/92/12/1013839212.db2.gz WFIQWBQDDNQTCF-LJQANCHMSA-N 2 0 316.489 3.783 20 0 DHADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000189053840 1013905606 /nfs/dbraw/zinc/90/56/06/1013905606.db2.gz KTPIIKAYINRUGE-TZIWHRDSSA-N 2 0 312.501 3.862 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000261953431 1014019676 /nfs/dbraw/zinc/01/96/76/1014019676.db2.gz NLTTXUWLFXSWFK-GFCCVEGCSA-N 2 0 319.836 3.554 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782182921 1014109490 /nfs/dbraw/zinc/10/94/90/1014109490.db2.gz GUGIWQGQCKNNMH-AWEZNQCLSA-N 2 0 309.523 3.910 20 0 DHADRP CC(C)OC1CC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000189559162 1014195624 /nfs/dbraw/zinc/19/56/24/1014195624.db2.gz HJCQDEFRVAJDPA-UHFFFAOYSA-N 2 0 304.478 3.572 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000926113314 1014223223 /nfs/dbraw/zinc/22/32/23/1014223223.db2.gz FGFULUYACLONAW-HNNXBMFYSA-N 2 0 313.445 3.724 20 0 DHADRP CCc1onc(C)c1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000931271371 1032088057 /nfs/dbraw/zinc/08/80/57/1032088057.db2.gz JBCUIDCPAJOJHK-UHFFFAOYSA-N 2 0 315.461 3.629 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000131531467 1014257484 /nfs/dbraw/zinc/25/74/84/1014257484.db2.gz XDIDHASIYPNGAU-SLEUVZQESA-N 2 0 311.267 3.569 20 0 DHADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CCCC1 ZINC001167426127 1014259202 /nfs/dbraw/zinc/25/92/02/1014259202.db2.gz UWYJWEOTGSRIOI-NLWGTHIKSA-N 2 0 322.537 3.778 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(F)nc1 ZINC000931271017 1032088734 /nfs/dbraw/zinc/08/87/34/1032088734.db2.gz BBRPWZLXRFWJME-HNNXBMFYSA-N 2 0 315.436 3.865 20 0 DHADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CCCC1 ZINC001167426126 1014260221 /nfs/dbraw/zinc/26/02/21/1014260221.db2.gz UWYJWEOTGSRIOI-CMKODMSKSA-N 2 0 322.537 3.778 20 0 DHADRP Cc1ccoc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348653757 1014324757 /nfs/dbraw/zinc/32/47/57/1014324757.db2.gz XAOLJMHFYJNQAQ-HXUWFJFHSA-N 2 0 310.441 3.686 20 0 DHADRP Cc1cc(F)cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001143586623 1014370862 /nfs/dbraw/zinc/37/08/62/1014370862.db2.gz RNUIWYRGQFDWJQ-UHFFFAOYSA-N 2 0 304.453 3.688 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC[NH+](C)CC1 ZINC000580863051 1014410984 /nfs/dbraw/zinc/41/09/84/1014410984.db2.gz PAUJDWYBKAJBKJ-DOTOQJQBSA-N 2 0 318.530 3.960 20 0 DHADRP [NH3+][C@H]1CC[C@H](N(Cc2cc3ccccc3[nH]2)c2ccccn2)CC1 ZINC000895113193 1014444749 /nfs/dbraw/zinc/44/47/49/1014444749.db2.gz UZMCGBOOEWEQOJ-SAABIXHNSA-N 2 0 320.440 3.839 20 0 DHADRP C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926128680 1014450465 /nfs/dbraw/zinc/45/04/65/1014450465.db2.gz UHTOOZROPIVFKL-KBPBESRZSA-N 2 0 301.409 3.694 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(-c2ccco2)cc1F)C1CC[NH+](C)CC1 ZINC000684113555 1014455131 /nfs/dbraw/zinc/45/51/31/1014455131.db2.gz GMASZXPSCPJUSD-CQSZACIVSA-N 2 0 316.420 3.906 20 0 DHADRP CC(C)OC1CC([NH2+]CC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000428098185 1014576218 /nfs/dbraw/zinc/57/62/18/1014576218.db2.gz UDCCAQWXANJPJW-FAEJEUNOSA-N 2 0 304.478 3.661 20 0 DHADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261728289 1014588072 /nfs/dbraw/zinc/58/80/72/1014588072.db2.gz MPWCZCBHLMUFBY-ARFHVFGLSA-N 2 0 324.415 3.688 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000581147237 1014591087 /nfs/dbraw/zinc/59/10/87/1014591087.db2.gz YSKBBHOGLYNPNC-HXUWFJFHSA-N 2 0 300.490 3.638 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273620 1014636182 /nfs/dbraw/zinc/63/61/82/1014636182.db2.gz AHLHPCGEBHSVPS-AKBUMOGYSA-N 2 0 308.416 3.503 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)c2ccccc21 ZINC000665276163 1014640229 /nfs/dbraw/zinc/64/02/29/1014640229.db2.gz ZLDYOFFPEDRVQQ-NVXWUHKLSA-N 2 0 309.438 3.573 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2)CC[NH+](C)CC1 ZINC000521122330 1014646112 /nfs/dbraw/zinc/64/61/12/1014646112.db2.gz IRIHBSMUTMDJHC-MRXNPFEDSA-N 2 0 306.519 3.781 20 0 DHADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)c1sccc1Br ZINC000521225582 1014665181 /nfs/dbraw/zinc/66/51/81/1014665181.db2.gz FLVMMUZWVFHRGF-VHSXEESVSA-N 2 0 305.285 3.535 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000665281107 1014667290 /nfs/dbraw/zinc/66/72/90/1014667290.db2.gz UTHARJYPYSBJQS-SWLSCSKDSA-N 2 0 318.383 3.652 20 0 DHADRP CCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000656497296 1014733943 /nfs/dbraw/zinc/73/39/43/1014733943.db2.gz AEYOJUGDTYXXHT-LJQANCHMSA-N 2 0 310.445 3.576 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(O)c1 ZINC000442795606 1014736994 /nfs/dbraw/zinc/73/69/94/1014736994.db2.gz USVMRNXWFNPTFP-IEZWGBDMSA-N 2 0 304.478 3.943 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000442933030 1014772294 /nfs/dbraw/zinc/77/22/94/1014772294.db2.gz ZJLBKXVIGKLSTI-OAHLLOKOSA-N 2 0 321.896 3.501 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442921671 1014775649 /nfs/dbraw/zinc/77/56/49/1014775649.db2.gz JCQYRFONUZIJQD-NSHDSACASA-N 2 0 317.260 3.563 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000581411943 1014795860 /nfs/dbraw/zinc/79/58/60/1014795860.db2.gz RGQYRFXWGLSUKA-RTBURBONSA-N 2 0 300.490 3.890 20 0 DHADRP CO[C@H]1CCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367055832 1014863438 /nfs/dbraw/zinc/86/34/38/1014863438.db2.gz TYNXZQKKDFUKDN-TUNPWDSISA-N 2 0 316.489 3.587 20 0 DHADRP COc1ccccc1-c1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000581492400 1014931235 /nfs/dbraw/zinc/93/12/35/1014931235.db2.gz DYDAXBXLBIQCQM-UHFFFAOYSA-N 2 0 324.468 3.923 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(C)c2C)[C@H](C)C1 ZINC000631073968 1014991682 /nfs/dbraw/zinc/99/16/82/1014991682.db2.gz RUSZJBCURCGOPV-KDOFPFPSSA-N 2 0 324.534 3.592 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)ccc2c1 ZINC000581575551 1015005970 /nfs/dbraw/zinc/00/59/70/1015005970.db2.gz VJEUKIGCHYZTCQ-TZIWHRDSSA-N 2 0 324.468 3.765 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)ccc2c1 ZINC000581575550 1015007090 /nfs/dbraw/zinc/00/70/90/1015007090.db2.gz VJEUKIGCHYZTCQ-PZJWPPBQSA-N 2 0 324.468 3.765 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000443606610 1015028916 /nfs/dbraw/zinc/02/89/16/1015028916.db2.gz SWJLTUSUIWQJTF-KBXCAEBGSA-N 2 0 306.881 3.991 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2=O)C[C@H](C)N1Cc1ccccc1 ZINC001168023843 1015055565 /nfs/dbraw/zinc/05/55/65/1015055565.db2.gz YIMCJPBPCHMVML-NBMJBFSESA-N 2 0 314.473 3.529 20 0 DHADRP FC(F)Oc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000051554522 1015073358 /nfs/dbraw/zinc/07/33/58/1015073358.db2.gz YPDCSPFAUQVGEJ-UHFFFAOYSA-N 2 0 324.415 3.596 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)[C@H](C)C1 ZINC000443656976 1015084318 /nfs/dbraw/zinc/08/43/18/1015084318.db2.gz MEAOCXBGYYBWCK-WTGUMLROSA-N 2 0 322.537 3.705 20 0 DHADRP CCC1([NH+](C)C)CCN(Cc2cc3c(cccc3O)s2)CC1 ZINC000895442852 1015150067 /nfs/dbraw/zinc/15/00/67/1015150067.db2.gz FWZZTSUUTFULHB-UHFFFAOYSA-N 2 0 318.486 3.913 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000033829381 1015153426 /nfs/dbraw/zinc/15/34/26/1015153426.db2.gz KGINNJCVISGZNG-TZIWHRDSSA-N 2 0 308.469 3.926 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC(C)(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168028869 1015155374 /nfs/dbraw/zinc/15/53/74/1015155374.db2.gz REVAAKAOBSZBBM-NBMJBFSESA-N 2 0 316.489 3.585 20 0 DHADRP FC(F)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656784450 1015156742 /nfs/dbraw/zinc/15/67/42/1015156742.db2.gz BBLGXXJVIDFPSR-QGZVFWFLSA-N 2 0 308.416 3.836 20 0 DHADRP CC(C)(C)c1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785112 1015158986 /nfs/dbraw/zinc/15/89/86/1015158986.db2.gz ITKUOSIKDFZIJR-HNNXBMFYSA-N 2 0 321.534 3.652 20 0 DHADRP [NH3+]CCCCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC001205000168 1015160489 /nfs/dbraw/zinc/16/04/89/1015160489.db2.gz ABHFUQOQZWTUMU-HNNXBMFYSA-N 2 0 311.267 3.715 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000684372194 1015176955 /nfs/dbraw/zinc/17/69/55/1015176955.db2.gz NRGMQRXSAXCRET-MOPGFXCFSA-N 2 0 304.478 3.574 20 0 DHADRP Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000647172627 1015221892 /nfs/dbraw/zinc/22/18/92/1015221892.db2.gz BDLHVTAMDGJNQF-IBGZPJMESA-N 2 0 321.468 3.677 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc2cnccc2o1 ZINC000895682552 1015260724 /nfs/dbraw/zinc/26/07/24/1015260724.db2.gz GVEGDMUMODFQSV-UHFFFAOYSA-N 2 0 301.434 3.526 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000090417206 1015487844 /nfs/dbraw/zinc/48/78/44/1015487844.db2.gz AYDAJQNQNCAAOJ-LLVKDONJSA-N 2 0 307.438 3.503 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000474621176 1015498279 /nfs/dbraw/zinc/49/82/79/1015498279.db2.gz KDTAPRAUSSMNHY-UXHICEINSA-N 2 0 318.505 3.822 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000474797806 1015600111 /nfs/dbraw/zinc/60/01/11/1015600111.db2.gz AAUQNVNIAFVJLE-RTBURBONSA-N 2 0 310.526 3.539 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000562956157 1015666147 /nfs/dbraw/zinc/66/61/47/1015666147.db2.gz GTIDYRVQRPEXBG-LBPRGKRZSA-N 2 0 321.465 3.908 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000341763720 1015728327 /nfs/dbraw/zinc/72/83/27/1015728327.db2.gz XZZJSEVNEWDSNT-RHSMWYFYSA-N 2 0 322.880 3.875 20 0 DHADRP CCSC[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001173304415 1033659815 /nfs/dbraw/zinc/65/98/15/1033659815.db2.gz BSDJFEQLSHNQSI-INIZCTEOSA-N 2 0 322.518 3.709 20 0 DHADRP C[C@@H]1CC[C@H](C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)O1 ZINC000475038992 1015791723 /nfs/dbraw/zinc/79/17/23/1015791723.db2.gz FYOVAJZCPMVDMQ-ZHALLVOQSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000535763361 1015814169 /nfs/dbraw/zinc/81/41/69/1015814169.db2.gz FLAHRVWYNKFLNJ-AWEZNQCLSA-N 2 0 301.409 3.730 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001168304737 1032136936 /nfs/dbraw/zinc/13/69/36/1032136936.db2.gz BYRBMBPMYJSTKS-UHFFFAOYSA-N 2 0 304.478 3.826 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657292568 1016210863 /nfs/dbraw/zinc/21/08/63/1016210863.db2.gz NGXRLLCYIRQWFM-UHFFFAOYSA-N 2 0 300.471 3.989 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657293403 1016212442 /nfs/dbraw/zinc/21/24/42/1016212442.db2.gz YJUAWCLFURVXKG-UHFFFAOYSA-N 2 0 315.486 3.692 20 0 DHADRP CN(C)c1ccncc1C[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000342287385 1016232507 /nfs/dbraw/zinc/23/25/07/1016232507.db2.gz AADBRBPBSNBXAN-OCCSQVGLSA-N 2 0 315.383 3.606 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000469083672 1016275323 /nfs/dbraw/zinc/27/53/23/1016275323.db2.gz QUXUUMXIZJQHPE-LRDDRELGSA-N 2 0 315.288 3.856 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000105492694 1016283199 /nfs/dbraw/zinc/28/31/99/1016283199.db2.gz RHMIBYSCXKVWHE-UHFFFAOYSA-N 2 0 324.468 3.663 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000387256084 1016404454 /nfs/dbraw/zinc/40/44/54/1016404454.db2.gz MSCWPQSDOMAAIT-QZTJIDSGSA-N 2 0 308.510 3.722 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657348610 1016404801 /nfs/dbraw/zinc/40/48/01/1016404801.db2.gz BDSBPXBAHSWVHX-UHFFFAOYSA-N 2 0 300.471 3.847 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCCO1 ZINC000346459777 1016408807 /nfs/dbraw/zinc/40/88/07/1016408807.db2.gz MULCFRSZHHUNEF-FUHIMQAGSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCCO1 ZINC000346486864 1016417228 /nfs/dbraw/zinc/41/72/28/1016417228.db2.gz OPUYTVZPEUDLQC-YLJYHZDGSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccs3)cc2)CC[N@@H+]1C ZINC000657375233 1016525425 /nfs/dbraw/zinc/52/54/25/1016525425.db2.gz FMVCDYCZJUFVCH-RHSMWYFYSA-N 2 0 300.471 3.987 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cnc4ccccc4c3)cc2)CC1 ZINC000629694535 1016526575 /nfs/dbraw/zinc/52/65/75/1016526575.db2.gz WWKSLEDGFYHZTD-UHFFFAOYSA-N 2 0 317.436 3.825 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cnc4ccccc4c3)c2)CC1 ZINC000629693945 1016537465 /nfs/dbraw/zinc/53/74/65/1016537465.db2.gz PSXFVQIYEZPQNZ-UHFFFAOYSA-N 2 0 317.436 3.825 20 0 DHADRP CC1(C)CC([NH2+]Cc2cccc(OC(F)F)c2)CC(C)(C)[NH2+]1 ZINC000171415949 1016564417 /nfs/dbraw/zinc/56/44/17/1016564417.db2.gz OOFQKVUMNQOZQO-UHFFFAOYSA-N 2 0 312.404 3.687 20 0 DHADRP CO[C@H](c1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)cc1)[C@H](C)[NH3+] ZINC000629708314 1016584157 /nfs/dbraw/zinc/58/41/57/1016584157.db2.gz FAVSGHFDEOGARP-BTYIYWSLSA-N 2 0 324.468 3.983 20 0 DHADRP C[NH+](C)Cc1ccc(-c2ccc(C(F)(F)CN)cc2)cc1F ZINC000629709470 1016584945 /nfs/dbraw/zinc/58/49/45/1016584945.db2.gz YPDLCHBTIFTKKO-UHFFFAOYSA-N 2 0 308.347 3.605 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152400345 1016590684 /nfs/dbraw/zinc/59/06/84/1016590684.db2.gz IOJOEZZAJYTGMM-JSGCOSHPSA-N 2 0 307.507 3.710 20 0 DHADRP C[C@]1(CF)CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286759 1016614416 /nfs/dbraw/zinc/61/44/16/1016614416.db2.gz MACJAMAOXSEFJE-LJQANCHMSA-N 2 0 304.453 3.580 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152435073 1016684568 /nfs/dbraw/zinc/68/45/68/1016684568.db2.gz ROOAIMBYSBAMQT-APWZRJJASA-N 2 0 314.473 3.591 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000582421352 1016732816 /nfs/dbraw/zinc/73/28/16/1016732816.db2.gz ZHGYLBVPXFHFKV-TUKIKUTGSA-N 2 0 315.383 3.620 20 0 DHADRP c1nc(C2CCCC2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347131340 1016750395 /nfs/dbraw/zinc/75/03/95/1016750395.db2.gz QQRZKYZWMHIVCQ-KRWDZBQOSA-N 2 0 319.518 3.765 20 0 DHADRP CCc1[nH+]c2ccccc2c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000684888198 1016811124 /nfs/dbraw/zinc/81/11/24/1016811124.db2.gz KWLGCNVFPDMLOB-CVEARBPZSA-N 2 0 309.457 3.566 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC3(C)C)cc2)C[C@H](C)O1 ZINC000342629113 1016881181 /nfs/dbraw/zinc/88/11/81/1016881181.db2.gz SCUIDTKUDXSZIQ-FCEWJHQRSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000670266915 1016959015 /nfs/dbraw/zinc/95/90/15/1016959015.db2.gz HDTNDRPNXRTNLB-HKUYNNGSSA-N 2 0 302.506 3.823 20 0 DHADRP C[C@@H]([NH2+]C(C)(C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623418865 1017033599 /nfs/dbraw/zinc/03/35/99/1017033599.db2.gz IXSPKGDHJBEFAJ-SJLPKXTDSA-N 2 0 317.521 3.578 20 0 DHADRP CC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440828 1017047766 /nfs/dbraw/zinc/04/77/66/1017047766.db2.gz MODUMLIHXMVZDG-IRXDYDNUSA-N 2 0 304.478 3.615 20 0 DHADRP COc1ccccc1C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623439706 1017048525 /nfs/dbraw/zinc/04/85/25/1017048525.db2.gz VIKQFRLJGDIPMP-ZWKOTPCHSA-N 2 0 318.505 3.725 20 0 DHADRP Cc1nc([C@H]2CCC[N@@H+](CCCn3ccnc3C)C2)sc1C ZINC000361944164 1032164896 /nfs/dbraw/zinc/16/48/96/1032164896.db2.gz NAQVIELIVAYTIM-INIZCTEOSA-N 2 0 318.490 3.535 20 0 DHADRP C[N@H+](C[C@H]1CC12CC[NH+](CCCCC(F)(F)F)CC2)C1CC1 ZINC000362107236 1032235693 /nfs/dbraw/zinc/23/56/93/1032235693.db2.gz UIZJAABGFWVINY-CQSZACIVSA-N 2 0 318.427 3.915 20 0 DHADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000294990623 1032238707 /nfs/dbraw/zinc/23/87/07/1032238707.db2.gz GZKFTCXUGHSIOY-UHFFFAOYSA-N 2 0 300.471 3.942 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001168324183 1032269277 /nfs/dbraw/zinc/26/92/77/1032269277.db2.gz JBWOHMSLKCUNTB-DAWZGUTISA-N 2 0 322.493 3.788 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001168324692 1032270644 /nfs/dbraw/zinc/27/06/44/1032270644.db2.gz VEZYLNZLSSLDOY-HTWSVDAQSA-N 2 0 319.518 3.511 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccccc2OC)C[C@@H]1C ZINC000537616249 1032284590 /nfs/dbraw/zinc/28/45/90/1032284590.db2.gz KSHXWRQIKQDAED-MDVISLEMSA-N 2 0 302.462 3.513 20 0 DHADRP Cc1ccc2c(c1)[nH+]ccc2-n1c(CC[NH3+])cc2ccccc21 ZINC001171304280 1032309275 /nfs/dbraw/zinc/30/92/75/1032309275.db2.gz POHHNVRNRJKGFD-UHFFFAOYSA-N 2 0 301.393 3.988 20 0 DHADRP CCC[C@H](C(=O)c1ccccc1)[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168331138 1032319693 /nfs/dbraw/zinc/31/96/93/1032319693.db2.gz ZVNUXRKYBQXPDI-CTWPCTMYSA-N 2 0 316.489 3.843 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000090664147 1032412386 /nfs/dbraw/zinc/41/23/86/1032412386.db2.gz VHVXWZSNBWUNRM-GQIGUUNPSA-N 2 0 309.457 3.567 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccn2CCC(C)C)[C@H](C)C1 ZINC000537635198 1032423424 /nfs/dbraw/zinc/42/34/24/1032423424.db2.gz VZEFPESKIBOPLY-MJGOQNOKSA-N 2 0 305.510 3.696 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CC3CC[NH+](C)CC3)ccc2c1 ZINC000121195240 1032425921 /nfs/dbraw/zinc/42/59/21/1032425921.db2.gz UTQLFKWEKMGESE-OAHLLOKOSA-N 2 0 312.457 3.841 20 0 DHADRP CC[NH+](CC)CCCN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091261401 1032438267 /nfs/dbraw/zinc/43/82/67/1032438267.db2.gz HRPRAGGGAIEIKD-CYBMUJFWSA-N 2 0 322.884 3.609 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2ncsc2c1 ZINC000623496506 1017080971 /nfs/dbraw/zinc/08/09/71/1017080971.db2.gz ZEYYWALHEUDYPV-JSGCOSHPSA-N 2 0 303.475 3.820 20 0 DHADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000684953222 1017086335 /nfs/dbraw/zinc/08/63/35/1017086335.db2.gz DXZNCWGATRPRAV-FQEVSTJZSA-N 2 0 321.468 3.845 20 0 DHADRP FC(F)C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000475216900 1017087447 /nfs/dbraw/zinc/08/74/47/1017087447.db2.gz VABBEHPNMQXDNX-YESZJQIVSA-N 2 0 320.427 3.532 20 0 DHADRP CC[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000179725792 1017293012 /nfs/dbraw/zinc/29/30/12/1017293012.db2.gz HPQXRVNRRXSKKT-ZFWWWQNUSA-N 2 0 312.404 3.813 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000092043454 1032471761 /nfs/dbraw/zinc/47/17/61/1032471761.db2.gz VOWSEDKWVPMIGC-CTNGQTDRSA-N 2 0 321.468 3.665 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccsc1C(F)(F)F)C1CC1 ZINC000623544820 1017094097 /nfs/dbraw/zinc/09/40/97/1017094097.db2.gz MJCKIBUZUGPMJK-UHFFFAOYSA-N 2 0 306.397 3.731 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623547054 1017094181 /nfs/dbraw/zinc/09/41/81/1017094181.db2.gz FYIBXHPVXOAQQE-LLVKDONJSA-N 2 0 306.397 3.588 20 0 DHADRP c1ccc2c(c1)CCC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000092856929 1032514856 /nfs/dbraw/zinc/51/48/56/1032514856.db2.gz RJFPDCWWDPZQPA-OAQYLSRUSA-N 2 0 321.468 3.965 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171361495 1032515242 /nfs/dbraw/zinc/51/52/42/1032515242.db2.gz YNFXCNWBFJUKQU-QWFMPGPPSA-N 2 0 322.443 3.532 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171361408 1032515545 /nfs/dbraw/zinc/51/55/45/1032515545.db2.gz XQCCMYBLXABHQD-PBHICJAKSA-N 2 0 322.443 3.663 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)CC2 ZINC000122369289 1032533422 /nfs/dbraw/zinc/53/34/22/1032533422.db2.gz UABAMWGBDFJSTM-FQEVSTJZSA-N 2 0 324.468 3.713 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000122322425 1032534164 /nfs/dbraw/zinc/53/41/64/1032534164.db2.gz RHQFZGSHSYHJIS-QFBILLFUSA-N 2 0 316.489 3.955 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000773081535 1032553516 /nfs/dbraw/zinc/55/35/16/1032553516.db2.gz CXSZTTHXWPSVQZ-RTBURBONSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cncs2)CC1 ZINC000093844513 1032561208 /nfs/dbraw/zinc/56/12/08/1032561208.db2.gz PXCCWRQDUAXKKD-HNNXBMFYSA-N 2 0 307.507 3.620 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000122711011 1032569220 /nfs/dbraw/zinc/56/92/20/1032569220.db2.gz RQIFGGJLYDIBEI-MRXNPFEDSA-N 2 0 304.478 3.776 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000122752815 1032570701 /nfs/dbraw/zinc/57/07/01/1032570701.db2.gz SZHOLCIEGCXJJV-IRXDYDNUSA-N 2 0 318.505 3.899 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000396473809 1011937271 /nfs/dbraw/zinc/93/72/71/1011937271.db2.gz ZRRZNMGHAIMZRL-CVEARBPZSA-N 2 0 304.478 3.856 20 0 DHADRP CSC1(C[NH2+]C[C@@H](C)c2ccc(C)cc2)CC[NH+](C)CC1 ZINC000600166649 1011943738 /nfs/dbraw/zinc/94/37/38/1011943738.db2.gz YHPHCMYZSRQURT-MRXNPFEDSA-N 2 0 306.519 3.516 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000579711788 1011960368 /nfs/dbraw/zinc/96/03/68/1011960368.db2.gz HCURBVHKMQLRDY-LIRRHRJNSA-N 2 0 316.514 3.860 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC000424358683 1011997566 /nfs/dbraw/zinc/99/75/66/1011997566.db2.gz XOQWRGKXSHLICY-QQBOBMDFSA-N 2 0 320.521 3.577 20 0 DHADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000475274033 1017103491 /nfs/dbraw/zinc/10/34/91/1017103491.db2.gz HIUGSQMPFKSAMV-FQEVSTJZSA-N 2 0 324.468 3.615 20 0 DHADRP CCOc1c(Cl)cccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424381587 1012017142 /nfs/dbraw/zinc/01/71/42/1012017142.db2.gz RCPROUIIFSRLAC-CQSZACIVSA-N 2 0 322.880 3.703 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2Cl)C[C@H]1C ZINC000579780575 1012092681 /nfs/dbraw/zinc/09/26/81/1012092681.db2.gz HZHOKTDJRZJSOH-CZUORRHYSA-N 2 0 312.860 3.826 20 0 DHADRP Clc1ccc(OCCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168353773 1032599619 /nfs/dbraw/zinc/59/96/19/1032599619.db2.gz TXDAMRGUHJMEPP-UHFFFAOYSA-N 2 0 322.880 3.573 20 0 DHADRP Fc1cccc(-c2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)s2)c1 ZINC000666952139 1032599648 /nfs/dbraw/zinc/59/96/48/1032599648.db2.gz HNOGSEQNKHAMEN-QGZVFWFLSA-N 2 0 316.445 3.786 20 0 DHADRP Fc1cccc(-c2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)s2)c1 ZINC000666952138 1032600669 /nfs/dbraw/zinc/60/06/69/1032600669.db2.gz HNOGSEQNKHAMEN-KRWDZBQOSA-N 2 0 316.445 3.786 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000643497270 1032616288 /nfs/dbraw/zinc/61/62/88/1032616288.db2.gz ADBXURKBNWBRHX-CYBMUJFWSA-N 2 0 310.869 3.777 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCc2c(F)cccc2C1)CC(C)(C)CC[NH3+] ZINC001171411952 1032616334 /nfs/dbraw/zinc/61/63/34/1032616334.db2.gz PUBGADUTXKRJAO-GOEBONIOSA-N 2 0 306.469 3.674 20 0 DHADRP C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770394 1012327880 /nfs/dbraw/zinc/32/78/80/1012327880.db2.gz RXORQOOFCNSPFK-GHMZBOCLSA-N 2 0 320.786 3.918 20 0 DHADRP Cc1cc2[nH]ccc2c(N2CC3(CC[NH2+]CC3)c3ccccc32)[nH+]1 ZINC001167070494 1012443505 /nfs/dbraw/zinc/44/35/05/1012443505.db2.gz UDJOGLKTMWFZIK-UHFFFAOYSA-N 2 0 318.424 3.644 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001208606028 1012457187 /nfs/dbraw/zinc/45/71/87/1012457187.db2.gz DGMNDGCAKXUSJN-OAHLLOKOSA-N 2 0 306.881 3.861 20 0 DHADRP COc1ccc2oc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)cc2c1 ZINC000123055804 1032634412 /nfs/dbraw/zinc/63/44/12/1032634412.db2.gz IEUNUSGPGKSHGJ-UHFFFAOYSA-N 2 0 324.424 3.793 20 0 DHADRP CS[C@H]1CC[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000425370334 1012504640 /nfs/dbraw/zinc/50/46/40/1012504640.db2.gz NWXBDFNNMDKVEC-SJORKVTESA-N 2 0 304.503 3.525 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000515148125 1012565581 /nfs/dbraw/zinc/56/55/81/1012565581.db2.gz ZVPZYCVOKZOYEB-KJWHEZOQSA-N 2 0 306.416 3.673 20 0 DHADRP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000515232815 1012582538 /nfs/dbraw/zinc/58/25/38/1012582538.db2.gz YYKWJWPXFGUAQT-YESZJQIVSA-N 2 0 304.503 3.637 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000179498322 1012690954 /nfs/dbraw/zinc/69/09/54/1012690954.db2.gz PBMMIULCSHDUNZ-GOSISDBHSA-N 2 0 301.409 3.730 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894317972 1012753758 /nfs/dbraw/zinc/75/37/58/1012753758.db2.gz XPXJSUBLKUIUDQ-QWHCGFSZSA-N 2 0 323.893 3.912 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000517168224 1012923581 /nfs/dbraw/zinc/92/35/81/1012923581.db2.gz UVWYJXUKTHLQDI-CRAIPNDOSA-N 2 0 310.441 3.674 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)[C@H](C)C1 ZINC000517226395 1012935882 /nfs/dbraw/zinc/93/58/82/1012935882.db2.gz RKZHRLPWBFBLFI-ATNYBXOESA-N 2 0 306.881 3.906 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCSCc2ccccc2)[C@H](C)C1 ZINC000535629237 1013020589 /nfs/dbraw/zinc/02/05/89/1013020589.db2.gz UWEOLMYPEKQNFQ-MJGOQNOKSA-N 2 0 320.546 3.972 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2csc3ccccc23)[C@H](C)C1 ZINC000178047505 1017151838 /nfs/dbraw/zinc/15/18/38/1017151838.db2.gz YDEPIJPWVGRWGI-PBHICJAKSA-N 2 0 302.487 3.764 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2C)cc1 ZINC000153013129 1017153254 /nfs/dbraw/zinc/15/32/54/1017153254.db2.gz OPRFFLYCUDBUOJ-UONOGXRCSA-N 2 0 323.444 3.634 20 0 DHADRP c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000857845961 1032687810 /nfs/dbraw/zinc/68/78/10/1032687810.db2.gz DUXDYBBSQMJJNR-IBGZPJMESA-N 2 0 324.472 3.563 20 0 DHADRP c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000857845962 1032688958 /nfs/dbraw/zinc/68/89/58/1032688958.db2.gz DUXDYBBSQMJJNR-LJQANCHMSA-N 2 0 324.472 3.563 20 0 DHADRP COc1ccc([C@@H](C)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000179685336 1017285746 /nfs/dbraw/zinc/28/57/46/1017285746.db2.gz MPMKYCDTLUVBRH-KRWDZBQOSA-N 2 0 316.489 3.607 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000249117597 1017517183 /nfs/dbraw/zinc/51/71/83/1017517183.db2.gz SQCKCYXSBSVQRB-UTKZUKDTSA-N 2 0 324.443 3.925 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)CN1C1CC1 ZINC000623834419 1017530330 /nfs/dbraw/zinc/53/03/30/1017530330.db2.gz XQBDVXMXLWLNND-JSGCOSHPSA-N 2 0 317.864 3.579 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623862136 1017538820 /nfs/dbraw/zinc/53/88/20/1017538820.db2.gz MZDICDQDHARDMP-QFBILLFUSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623863869 1017540669 /nfs/dbraw/zinc/54/06/69/1017540669.db2.gz AUTOYQRLWGEDQB-CABCVRRESA-N 2 0 307.507 3.622 20 0 DHADRP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000623866496 1017540768 /nfs/dbraw/zinc/54/07/68/1017540768.db2.gz YGUFETCAPWTJBP-GDZNZVCISA-N 2 0 308.828 3.683 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)cc1 ZINC000623853997 1017545891 /nfs/dbraw/zinc/54/58/91/1017545891.db2.gz OCTPMNRLDVMREQ-QFBILLFUSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)c1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000623891374 1017572387 /nfs/dbraw/zinc/57/23/87/1017572387.db2.gz KVTWGFPJDBRANU-FXAWDEMLSA-N 2 0 318.505 3.698 20 0 DHADRP Cc1csc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)n1 ZINC000623903358 1017573982 /nfs/dbraw/zinc/57/39/82/1017573982.db2.gz DDJPIAWNLYKIIT-HNNXBMFYSA-N 2 0 309.523 3.860 20 0 DHADRP C[C@H]1CCCC[C@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613847 1017584914 /nfs/dbraw/zinc/58/49/14/1017584914.db2.gz TYVYUHNXFNOKTN-PXNSSMCTSA-N 2 0 315.505 3.710 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857902874 1032709766 /nfs/dbraw/zinc/70/97/66/1032709766.db2.gz WOXQMZIAYDLASL-GOEBONIOSA-N 2 0 321.896 3.967 20 0 DHADRP CCc1ccccc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000444661824 1017610571 /nfs/dbraw/zinc/61/05/71/1017610571.db2.gz BEDNLKXLMXDUDS-CTNGQTDRSA-N 2 0 312.501 3.740 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171465846 1032715388 /nfs/dbraw/zinc/71/53/88/1032715388.db2.gz JZTMHEVYTDJVAQ-KRWDZBQOSA-N 2 0 322.443 3.534 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123456 1017694388 /nfs/dbraw/zinc/69/43/88/1017694388.db2.gz MGMPTXLGMWSGEF-DNVCBOLYSA-N 2 0 316.489 3.739 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCS2 ZINC000624123359 1017695874 /nfs/dbraw/zinc/69/58/74/1017695874.db2.gz KPYFYTOWDHVUCA-PBHICJAKSA-N 2 0 320.502 3.554 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000624146581 1017709831 /nfs/dbraw/zinc/70/98/31/1017709831.db2.gz CJHVNDICSOMJSC-WKWVNEEDSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657667745 1017718893 /nfs/dbraw/zinc/71/88/93/1017718893.db2.gz XYJDEODTKLOWGH-PVAVHDDUSA-N 2 0 308.416 3.674 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)cc1 ZINC000181168409 1017729713 /nfs/dbraw/zinc/72/97/13/1017729713.db2.gz SCGKRPFZMMSPDV-OXQOHEQNSA-N 2 0 324.468 3.935 20 0 DHADRP CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090778425 1017816071 /nfs/dbraw/zinc/81/60/71/1017816071.db2.gz PZPFEPQQVZHDIR-BRWVUGGUSA-N 2 0 304.503 3.774 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000090946761 1017834202 /nfs/dbraw/zinc/83/42/02/1017834202.db2.gz PTBGDBKWDHCCCD-UTKZUKDTSA-N 2 0 323.484 3.799 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445398343 1017844838 /nfs/dbraw/zinc/84/48/38/1017844838.db2.gz STPXYYMXFNZDBU-IRXDYDNUSA-N 2 0 300.490 3.900 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183365001 1018014728 /nfs/dbraw/zinc/01/47/28/1018014728.db2.gz MNLQZMNNQDPVRI-FUHWJXTLSA-N 2 0 306.469 3.811 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183364979 1018015833 /nfs/dbraw/zinc/01/58/33/1018015833.db2.gz MNLQZMNNQDPVRI-WMZOPIPTSA-N 2 0 306.469 3.811 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000318634455 1018017368 /nfs/dbraw/zinc/01/73/68/1018017368.db2.gz FQFLLROQXBCWGD-RTBURBONSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)CC(CC(C)C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069315 1018027407 /nfs/dbraw/zinc/02/74/07/1018027407.db2.gz MMRYZXKQFCCTAM-UHFFFAOYSA-N 2 0 324.553 3.928 20 0 DHADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524594556 1018038101 /nfs/dbraw/zinc/03/81/01/1018038101.db2.gz OPBQJGYBDFQLOS-LJQANCHMSA-N 2 0 316.489 3.714 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccn(C)c2)cc1 ZINC000123272145 1018057008 /nfs/dbraw/zinc/05/70/08/1018057008.db2.gz GJVWDQFEUSWQNI-QGZVFWFLSA-N 2 0 311.473 3.689 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171471973 1032742496 /nfs/dbraw/zinc/74/24/96/1032742496.db2.gz LCAPJRPIFDBYEN-QWFMPGPPSA-N 2 0 322.443 3.532 20 0 DHADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658161732 1018181739 /nfs/dbraw/zinc/18/17/39/1018181739.db2.gz AEZFGQTUHKQSAZ-MBOZVWFJSA-N 2 0 315.505 3.708 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000194840565 1018213456 /nfs/dbraw/zinc/21/34/56/1018213456.db2.gz MHENNBMDTIHVTR-FQEVSTJZSA-N 2 0 324.468 3.924 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000446759529 1018246434 /nfs/dbraw/zinc/24/64/34/1018246434.db2.gz GKEXWDOCBKEWHR-QUCCMNQESA-N 2 0 318.505 3.549 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000447019794 1018318279 /nfs/dbraw/zinc/31/82/79/1018318279.db2.gz DEIHMJQNLSFBHN-GOSISDBHSA-N 2 0 308.416 3.880 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000925199910 1018456249 /nfs/dbraw/zinc/45/62/49/1018456249.db2.gz WYTBSFVRAJHXCK-DNVCBOLYSA-N 2 0 304.478 3.604 20 0 DHADRP CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000925199909 1018456298 /nfs/dbraw/zinc/45/62/98/1018456298.db2.gz WYTBSFVRAJHXCK-BEFAXECRSA-N 2 0 304.478 3.604 20 0 DHADRP C[C@H](CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000447726536 1018460838 /nfs/dbraw/zinc/46/08/38/1018460838.db2.gz HDBRFHBRJLYTND-MOPGFXCFSA-N 2 0 300.490 3.988 20 0 DHADRP FC(F)(F)c1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261837118 1018461458 /nfs/dbraw/zinc/46/14/58/1018461458.db2.gz CCAZRJBRRLNRBT-INIZCTEOSA-N 2 0 312.379 3.669 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000447811145 1018480712 /nfs/dbraw/zinc/48/07/12/1018480712.db2.gz CWPVSJIPJJKBTE-SJORKVTESA-N 2 0 310.844 3.628 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccco1)c1cccc(OCC[NH+](C)C)c1 ZINC000658328736 1018482673 /nfs/dbraw/zinc/48/26/73/1018482673.db2.gz YZEJLFMEHSSTSV-MRXNPFEDSA-N 2 0 316.445 3.503 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708302 1018522868 /nfs/dbraw/zinc/52/28/68/1018522868.db2.gz XHCPJORECVEIAZ-VJANTYMQSA-N 2 0 310.526 3.811 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C1CC2(CCC2)C1 ZINC000448059132 1018526789 /nfs/dbraw/zinc/52/67/89/1018526789.db2.gz XCMAYBRBJMZYAB-UHFFFAOYSA-N 2 0 314.473 3.584 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CC1CC[NH+](C(C)C)CC1)C2 ZINC001171551094 1032771534 /nfs/dbraw/zinc/77/15/34/1032771534.db2.gz NPQSXUWQJORGBG-IBGZPJMESA-N 2 0 300.490 3.562 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000650719048 1018566301 /nfs/dbraw/zinc/56/63/01/1018566301.db2.gz BDXWCKFMYICLAV-MRXNPFEDSA-N 2 0 312.457 3.526 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752550 1018572824 /nfs/dbraw/zinc/57/28/24/1018572824.db2.gz ZFELQRUVXSKXQX-QYZOEREBSA-N 2 0 304.453 3.609 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCC2CCCCC2)C1 ZINC000650724423 1018582786 /nfs/dbraw/zinc/58/27/86/1018582786.db2.gz FWIFYEOLSMZNDK-QRVBRYPASA-N 2 0 308.510 3.708 20 0 DHADRP C[C@@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000675774994 1018586753 /nfs/dbraw/zinc/58/67/53/1018586753.db2.gz SVZABYDNPOHRBY-MRXNPFEDSA-N 2 0 318.505 3.683 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278356234 1018604437 /nfs/dbraw/zinc/60/44/37/1018604437.db2.gz CNUYYXCHFLAMJA-OAHLLOKOSA-N 2 0 302.462 3.529 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001171556059 1032776466 /nfs/dbraw/zinc/77/64/66/1032776466.db2.gz AEYNZKUVLOCPFM-IBGZPJMESA-N 2 0 312.501 3.849 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897591 1018620560 /nfs/dbraw/zinc/62/05/60/1018620560.db2.gz GRJKWRMDNORXBH-CRAIPNDOSA-N 2 0 322.880 3.525 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000675927091 1018628289 /nfs/dbraw/zinc/62/82/89/1018628289.db2.gz KWEFFGSNTZHFOU-DBXWQHBBSA-N 2 0 323.484 3.685 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000675929338 1018636209 /nfs/dbraw/zinc/63/62/09/1018636209.db2.gz ZOFZIXGNPCOFTO-INIZCTEOSA-N 2 0 301.478 3.572 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC000926920004 1032773519 /nfs/dbraw/zinc/77/35/19/1032773519.db2.gz TYKZTALESCIUBR-IJXRJRJASA-N 2 0 320.521 3.578 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc2)cc1 ZINC000650745948 1018645467 /nfs/dbraw/zinc/64/54/67/1018645467.db2.gz RUOFQUPJXNZAKH-IBGZPJMESA-N 2 0 310.441 3.503 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000650748145 1018650845 /nfs/dbraw/zinc/65/08/45/1018650845.db2.gz OCFKBIZEYUNGOV-RDJZCZTQSA-N 2 0 306.881 3.770 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650752106 1018664366 /nfs/dbraw/zinc/66/43/66/1018664366.db2.gz JGDSMPNSPLKKBU-GFCCVEGCSA-N 2 0 304.434 3.857 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CCCO2 ZINC000650752818 1018669090 /nfs/dbraw/zinc/66/90/90/1018669090.db2.gz BADYIPOLZKGBQF-SFHVURJKSA-N 2 0 314.404 3.596 20 0 DHADRP Cc1cc([C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CC2)ccc1F ZINC000650754565 1018676812 /nfs/dbraw/zinc/67/68/12/1018676812.db2.gz LSCUENWISZKFEB-LJQANCHMSA-N 2 0 316.395 3.973 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c(F)c1 ZINC000650754603 1018678778 /nfs/dbraw/zinc/67/87/78/1018678778.db2.gz MKNSXHUWJVLPKY-GOSISDBHSA-N 2 0 302.368 3.591 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000650757164 1018688554 /nfs/dbraw/zinc/68/85/54/1018688554.db2.gz QBIUXUKQIGEZJW-GOSISDBHSA-N 2 0 318.848 3.537 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCS2 ZINC000650763157 1018711492 /nfs/dbraw/zinc/71/14/92/1018711492.db2.gz SRTLSBPAIXUMGV-KRWDZBQOSA-N 2 0 304.503 3.820 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c2ccccc12 ZINC000650764357 1018713549 /nfs/dbraw/zinc/71/35/49/1018713549.db2.gz WSWPGULMSTYYGR-OAHLLOKOSA-N 2 0 312.457 3.889 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1Br ZINC000235182441 1018744276 /nfs/dbraw/zinc/74/42/76/1018744276.db2.gz KRWWDGVZOQXZSH-OIKLOGQESA-N 2 0 315.230 3.509 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O)cc2)[C@H]1c1ccccc1 ZINC000671497268 1018757706 /nfs/dbraw/zinc/75/77/06/1018757706.db2.gz HDJSWYIQLXYTPG-UYAOXDASSA-N 2 0 310.441 3.565 20 0 DHADRP CSC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000706955600 1018775571 /nfs/dbraw/zinc/77/55/71/1018775571.db2.gz HKHXOKAJYWNFOC-PNIOZXJOSA-N 2 0 316.514 3.666 20 0 DHADRP CC[N@H+](C[C@H]1CCSC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278523508 1018780272 /nfs/dbraw/zinc/78/02/72/1018780272.db2.gz YMGHDTAXHOXQTG-RBUKOAKNSA-N 2 0 318.530 3.584 20 0 DHADRP Fc1cccc(Cl)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657811355 1018780510 /nfs/dbraw/zinc/78/05/10/1018780510.db2.gz ADVBEEZFTHLFNS-UHFFFAOYSA-N 2 0 310.844 3.691 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657811368 1018781673 /nfs/dbraw/zinc/78/16/73/1018781673.db2.gz AFKNSZRVAKICLT-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP Fc1cc(Cl)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813246 1018805602 /nfs/dbraw/zinc/80/56/02/1018805602.db2.gz LRADXWMYCHAAPT-UHFFFAOYSA-N 2 0 310.844 3.691 20 0 DHADRP Fc1ccc2oc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cc2c1 ZINC000657812833 1018806148 /nfs/dbraw/zinc/80/61/48/1018806148.db2.gz GRSFWHSHIPPROG-UHFFFAOYSA-N 2 0 316.420 3.784 20 0 DHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccc2)CC1 ZINC000151314602 1018807585 /nfs/dbraw/zinc/80/75/85/1018807585.db2.gz SPVAJQROURLTNI-UHFFFAOYSA-N 2 0 323.484 3.508 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657815675 1018822971 /nfs/dbraw/zinc/82/29/71/1018822971.db2.gz JEFTVOQDPXFXAW-GJZGRUSLSA-N 2 0 303.450 3.989 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC(F)F ZINC000647318656 1018835647 /nfs/dbraw/zinc/83/56/47/1018835647.db2.gz VYWZSBNMSCNRRO-KGLIPLIRSA-N 2 0 314.420 3.569 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000158573871 1018853212 /nfs/dbraw/zinc/85/32/12/1018853212.db2.gz KKBRRFFBBRLAJZ-OWCLPIDISA-N 2 0 318.509 3.502 20 0 DHADRP Clc1ccccc1[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000657818198 1018860903 /nfs/dbraw/zinc/86/09/03/1018860903.db2.gz ACKQGDJSFBFOJG-RDJZCZTQSA-N 2 0 303.837 3.853 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C[C@H]2CCc3ccccc3O2)CC1(C)C ZINC001171630271 1032793429 /nfs/dbraw/zinc/79/34/29/1032793429.db2.gz KJXAOJIQRFCQHC-QGZVFWFLSA-N 2 0 316.489 3.621 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2Cc3ccc(F)cc3C2)CC1(C)C ZINC001171629690 1032795702 /nfs/dbraw/zinc/79/57/02/1032795702.db2.gz CEEPCPLRZQHZHZ-MRXNPFEDSA-N 2 0 304.453 3.534 20 0 DHADRP Clc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1Cl ZINC001168356777 1032795746 /nfs/dbraw/zinc/79/57/46/1032795746.db2.gz WNUKACPPTKZNQF-UHFFFAOYSA-N 2 0 313.272 3.957 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168685102 1018971824 /nfs/dbraw/zinc/97/18/24/1018971824.db2.gz NTEGDWUBFBJFEK-AWEZNQCLSA-N 2 0 306.881 3.788 20 0 DHADRP C[C@H](Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)C(C)(C)C ZINC001168686059 1018980471 /nfs/dbraw/zinc/98/04/71/1018980471.db2.gz HHFPGXCLMDWKJD-HNNXBMFYSA-N 2 0 303.494 3.704 20 0 DHADRP CC[NH+](CC)Cc1cncc(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001168547436 1018982397 /nfs/dbraw/zinc/98/23/97/1018982397.db2.gz CPNQGJBPTNECDS-KRWDZBQOSA-N 2 0 324.472 3.508 20 0 DHADRP C[NH+](C)[C@H](CNC1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171619289 1032801152 /nfs/dbraw/zinc/80/11/52/1032801152.db2.gz IKFOWWMLBUZJBP-GOSISDBHSA-N 2 0 317.521 3.530 20 0 DHADRP C[N@H+](CCOc1ccc(Cl)cc1Cl)C1CCC([NH3+])CC1 ZINC000091847072 1019015262 /nfs/dbraw/zinc/01/52/62/1019015262.db2.gz LBTQEELYYSCVKE-UHFFFAOYSA-N 2 0 317.260 3.574 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624529 1032806165 /nfs/dbraw/zinc/80/61/65/1032806165.db2.gz VGFCVKWHXDJUEU-IRXDYDNUSA-N 2 0 304.453 3.923 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccncc2s1 ZINC000657839493 1019090822 /nfs/dbraw/zinc/09/08/22/1019090822.db2.gz AEKKCEGYRUSCIS-AEGPPILISA-N 2 0 301.459 3.574 20 0 DHADRP CCOC1CCC([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000657839427 1019092509 /nfs/dbraw/zinc/09/25/09/1019092509.db2.gz VJBWKABYZRQVQE-LPOKXYRGSA-N 2 0 310.526 3.682 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCc2ccc(F)cc2F)CC1(C)C ZINC001171625284 1032806861 /nfs/dbraw/zinc/80/68/61/1032806861.db2.gz FXWNIKPKWCEDHJ-UHFFFAOYSA-N 2 0 310.432 3.748 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1csc(Br)c1 ZINC000387374675 1019097589 /nfs/dbraw/zinc/09/75/89/1019097589.db2.gz XGMHWKRNCSJKGV-UHFFFAOYSA-N 2 0 319.312 3.721 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171624292 1032807834 /nfs/dbraw/zinc/80/78/34/1032807834.db2.gz OCRKIMSWOLNHKK-SFHVURJKSA-N 2 0 316.489 3.924 20 0 DHADRP CCC(CC)[NH+]1CCC(NC2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171625065 1032808293 /nfs/dbraw/zinc/80/82/93/1032808293.db2.gz ANPLSMDPYKPLIK-UHFFFAOYSA-N 2 0 323.569 3.880 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCCOc2cccc(F)c2)CC1(C)C ZINC001171625479 1032808713 /nfs/dbraw/zinc/80/87/13/1032808713.db2.gz JKQPZQMJPXOMBO-UHFFFAOYSA-N 2 0 322.468 3.836 20 0 DHADRP Cc1ccc(C2(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)nc1 ZINC001171627005 1032809261 /nfs/dbraw/zinc/80/92/61/1032809261.db2.gz IPQNCCJVHLPDPG-UHFFFAOYSA-N 2 0 315.505 3.663 20 0 DHADRP Cc1cc(C)c([C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923451155 1019211969 /nfs/dbraw/zinc/21/19/69/1019211969.db2.gz YZKWHSVAMKPQNH-ZWKOTPCHSA-N 2 0 316.489 3.503 20 0 DHADRP CS[C@H]1CCC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000921962279 1019223235 /nfs/dbraw/zinc/22/32/35/1019223235.db2.gz XDRGUXGAYFLHBF-WMZOPIPTSA-N 2 0 319.518 3.562 20 0 DHADRP CC[N@H+](CCc1csc(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062964 1019279619 /nfs/dbraw/zinc/27/96/19/1019279619.db2.gz MVAOXNMEPNLEJD-UHFFFAOYSA-N 2 0 317.502 3.578 20 0 DHADRP CC[N@H+](CCCOC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062902 1019279864 /nfs/dbraw/zinc/27/98/64/1019279864.db2.gz KUGHZJMPGYPZTP-UHFFFAOYSA-N 2 0 306.494 3.775 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000657855923 1019282339 /nfs/dbraw/zinc/28/23/39/1019282339.db2.gz JJYPSIPILCKMBM-SFHVURJKSA-N 2 0 306.519 3.902 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)C1CC[NH+](C)CC1 ZINC000672624247 1019316679 /nfs/dbraw/zinc/31/66/79/1019316679.db2.gz UKUONBXNTWIEDS-ZYSHUDEJSA-N 2 0 316.489 3.552 20 0 DHADRP C[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000924633846 1032825779 /nfs/dbraw/zinc/82/57/79/1032825779.db2.gz KQOHDRMXGCDINK-KKSFZXQISA-N 2 0 324.468 3.540 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000194843833 1019352080 /nfs/dbraw/zinc/35/20/80/1019352080.db2.gz BWTJYCKFZPDDAJ-LJQANCHMSA-N 2 0 316.489 3.783 20 0 DHADRP c1nc(C2CC2)c(CNC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000487271590 1019356912 /nfs/dbraw/zinc/35/69/12/1019356912.db2.gz LILHNWJTAKDGBS-UHFFFAOYSA-N 2 0 319.518 3.907 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001171666169 1032823316 /nfs/dbraw/zinc/82/33/16/1032823316.db2.gz VEAICTWXNALNIC-SFHVURJKSA-N 2 0 300.490 3.876 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)cn1 ZINC000090775366 1019417029 /nfs/dbraw/zinc/41/70/29/1019417029.db2.gz ZGZHAFSSDNGVFC-FAEJEUNOSA-N 2 0 319.468 3.914 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCCSCC3)CC2)c1 ZINC000657861397 1019419587 /nfs/dbraw/zinc/41/95/87/1019419587.db2.gz RIKXZAZRNIZWPH-INIZCTEOSA-N 2 0 324.559 3.835 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001171681673 1032830933 /nfs/dbraw/zinc/83/09/33/1032830933.db2.gz LDVPNWLSGBRMMD-IBGZPJMESA-N 2 0 323.484 3.842 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000163070986 1019563406 /nfs/dbraw/zinc/56/34/06/1019563406.db2.gz JPYFUCBIJCRSDD-DNVCBOLYSA-N 2 0 304.478 3.712 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000093688550 1019578507 /nfs/dbraw/zinc/57/85/07/1019578507.db2.gz NXDQQJYXPLPZFI-PMACEKPBSA-N 2 0 300.490 3.844 20 0 DHADRP C[C@H]1C[C@@H](n2ccc3ccc(C[NH3+])cc32)C[N@@H+]1Cc1ccccc1 ZINC001171725588 1032844744 /nfs/dbraw/zinc/84/47/44/1032844744.db2.gz MWMHSTAGZPLFPG-OXJNMPFZSA-N 2 0 319.452 3.936 20 0 DHADRP COCCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000282218196 1019679662 /nfs/dbraw/zinc/67/96/62/1019679662.db2.gz HUMJILOOSCFWMW-OTWHNJEPSA-N 2 0 322.468 3.756 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657872107 1019689419 /nfs/dbraw/zinc/68/94/19/1019689419.db2.gz NCKRXHKCUHLVFF-ZDUSSCGKSA-N 2 0 311.420 3.792 20 0 DHADRP C[C@H]1C[C@H](n2c(C[NH3+])cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171725873 1032847855 /nfs/dbraw/zinc/84/78/55/1032847855.db2.gz OSMSXRYHRJOSSJ-JXFKEZNVSA-N 2 0 319.452 3.936 20 0 DHADRP CC(C)[N@H+]([C@@H]1Cc2cccc(Cl)c2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168708231 1019749012 /nfs/dbraw/zinc/74/90/12/1019749012.db2.gz NMBDZHRCMHOUPW-BZUAXINKSA-N 2 0 306.881 3.788 20 0 DHADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC(C)(C)C)c1 ZINC000165920747 1019750127 /nfs/dbraw/zinc/75/01/27/1019750127.db2.gz OOYJCHUUGGIEDD-INIZCTEOSA-N 2 0 318.505 3.992 20 0 DHADRP C[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171733712 1032851569 /nfs/dbraw/zinc/85/15/69/1032851569.db2.gz XYJNEOOUTMDKDX-YVWKXTFCSA-N 2 0 321.468 3.560 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347614997 1019793544 /nfs/dbraw/zinc/79/35/44/1019793544.db2.gz QANRFWWGRCBWHZ-LJQANCHMSA-N 2 0 310.526 3.780 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685428668 1019815326 /nfs/dbraw/zinc/81/53/26/1019815326.db2.gz OIXYEOHZCFMLIB-RQOWECAXSA-N 2 0 306.400 3.538 20 0 DHADRP COC1([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)CCC1 ZINC000657889999 1019835500 /nfs/dbraw/zinc/83/55/00/1019835500.db2.gz QAWVBJUAJPKLIX-ZOBUZTSGSA-N 2 0 322.518 3.678 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657892691 1019871097 /nfs/dbraw/zinc/87/10/97/1019871097.db2.gz XGYCMMJSGGOXKI-CQSZACIVSA-N 2 0 301.434 3.600 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671738736 1019876562 /nfs/dbraw/zinc/87/65/62/1019876562.db2.gz DSSNEMAHFQKBBN-UONOGXRCSA-N 2 0 319.449 3.695 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671738735 1019877003 /nfs/dbraw/zinc/87/70/03/1019877003.db2.gz DSSNEMAHFQKBBN-KGLIPLIRSA-N 2 0 319.449 3.695 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000708564403 1019878983 /nfs/dbraw/zinc/87/89/83/1019878983.db2.gz VEVGPSPJSLPRQY-UMGGQSCQSA-N 2 0 300.490 3.923 20 0 DHADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000922212228 1019883493 /nfs/dbraw/zinc/88/34/93/1019883493.db2.gz PMDPZKHJEDVQSN-HCXYKTFWSA-N 2 0 318.530 3.596 20 0 DHADRP c1nc2c(s1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000858369058 1032864081 /nfs/dbraw/zinc/86/40/81/1032864081.db2.gz FYEQXUNUWMGQPG-UYSNPLJNSA-N 2 0 319.518 3.907 20 0 DHADRP C[C@@H]1CCCCN1c1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001168597156 1020004362 /nfs/dbraw/zinc/00/43/62/1020004362.db2.gz WMCIBEPVPYSSQY-IKGGRYGDSA-N 2 0 316.493 3.745 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657970392 1020050742 /nfs/dbraw/zinc/05/07/42/1020050742.db2.gz CNGRSPKTLVMEBW-ZDUSSCGKSA-N 2 0 303.475 3.679 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000658020864 1020093360 /nfs/dbraw/zinc/09/33/60/1020093360.db2.gz ZXYDVMYJMJXGCA-CABCVRRESA-N 2 0 303.837 3.531 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000922505986 1020107112 /nfs/dbraw/zinc/10/71/12/1020107112.db2.gz WKQLNDWIBFEBLN-BKVYNOPKSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067648 1020126511 /nfs/dbraw/zinc/12/65/11/1020126511.db2.gz OSTYULCBDJXBCD-QZTJIDSGSA-N 2 0 324.553 3.928 20 0 DHADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066981 1020127135 /nfs/dbraw/zinc/12/71/35/1020127135.db2.gz IPVBXMZVUKAVAB-LPHOPBHVSA-N 2 0 322.537 3.682 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658091010 1020134540 /nfs/dbraw/zinc/13/45/40/1020134540.db2.gz OGQFKLZZHITHHG-YVWKXTFCSA-N 2 0 322.537 3.824 20 0 DHADRP COc1cc(C)cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001143157086 1020152177 /nfs/dbraw/zinc/15/21/77/1020152177.db2.gz ZAFLVYFVSGXFHV-UHFFFAOYSA-N 2 0 316.489 3.557 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000658167894 1020199662 /nfs/dbraw/zinc/19/96/62/1020199662.db2.gz QWXUZQOCLCRILE-INIZCTEOSA-N 2 0 313.445 3.546 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000658168831 1020200951 /nfs/dbraw/zinc/20/09/51/1020200951.db2.gz ZJSBOXXDKQYANZ-UWVAXJGDSA-N 2 0 315.505 3.708 20 0 DHADRP CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000765796427 1020212087 /nfs/dbraw/zinc/21/20/87/1020212087.db2.gz KKMAFQXZUXCNEE-UXHICEINSA-N 2 0 323.569 3.743 20 0 DHADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000765800605 1020221422 /nfs/dbraw/zinc/22/14/22/1020221422.db2.gz LCIDYTBUYLXDPP-CSODTCANSA-N 2 0 322.537 3.965 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658255123 1020270336 /nfs/dbraw/zinc/27/03/36/1020270336.db2.gz SIYWGLKZLIMMMN-BHUNQDJPSA-N 2 0 308.510 3.575 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCc2ccco2)CC1 ZINC000658326097 1020303500 /nfs/dbraw/zinc/30/35/00/1020303500.db2.gz BHNUGVLCTNZJHU-QFBILLFUSA-N 2 0 304.478 3.845 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000922847409 1020306788 /nfs/dbraw/zinc/30/67/88/1020306788.db2.gz OYPFYWAPSMZQRU-DUXPYHPUSA-N 2 0 302.437 3.836 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922845071 1020308667 /nfs/dbraw/zinc/30/86/67/1020308667.db2.gz BARYMVWRQBFSPS-ISXWCOSWSA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1F ZINC000658356106 1020319769 /nfs/dbraw/zinc/31/97/69/1020319769.db2.gz HCEUTAGNZISPIL-AWEZNQCLSA-N 2 0 320.452 3.607 20 0 DHADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356839 1020322453 /nfs/dbraw/zinc/32/24/53/1020322453.db2.gz PRWCJFZATQMUOZ-SFHVURJKSA-N 2 0 320.427 3.664 20 0 DHADRP Fc1cccc2c1C[C@H]([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001171801259 1032891643 /nfs/dbraw/zinc/89/16/43/1032891643.db2.gz KLVOOMVIVOEGDC-ZWKOTPCHSA-N 2 0 316.464 3.633 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H](C)c1ccccc1 ZINC000658355373 1020322874 /nfs/dbraw/zinc/32/28/74/1020322874.db2.gz IMWDMAMXTNITHK-DLBZAZTESA-N 2 0 300.490 3.890 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)c1nccs1 ZINC000340352953 1020405327 /nfs/dbraw/zinc/40/53/27/1020405327.db2.gz COEJZADTWXVTSQ-PVAVHDDUSA-N 2 0 315.486 3.672 20 0 DHADRP Fc1ccc(C2CC([NH2+][C@@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000655848951 1020421463 /nfs/dbraw/zinc/42/14/63/1020421463.db2.gz MIDJONNYODGNNX-JDGDGYACSA-N 2 0 302.437 3.678 20 0 DHADRP C[NH+]1CCC(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000892473510 1020422139 /nfs/dbraw/zinc/42/21/39/1020422139.db2.gz MQGXOYOHOWJJFV-UHFFFAOYSA-N 2 0 312.379 3.626 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2o1 ZINC000347931188 1020456443 /nfs/dbraw/zinc/45/64/43/1020456443.db2.gz VCNSIGFRDUZZCJ-HKUYNNGSSA-N 2 0 310.441 3.882 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2o1 ZINC000347931201 1020456517 /nfs/dbraw/zinc/45/65/17/1020456517.db2.gz VCNSIGFRDUZZCJ-MJGOQNOKSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000474472714 1020494030 /nfs/dbraw/zinc/49/40/30/1020494030.db2.gz SIHMPAGKEIXHJU-IYXRBSQSSA-N 2 0 308.432 3.921 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168743093 1020510143 /nfs/dbraw/zinc/51/01/43/1020510143.db2.gz IZIITPUJFLYJFL-MRXNPFEDSA-N 2 0 318.892 3.615 20 0 DHADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310106067 1020766232 /nfs/dbraw/zinc/76/62/32/1020766232.db2.gz CWPXYUNZDXSMLZ-DZFGPLHGSA-N 2 0 320.480 3.827 20 0 DHADRP CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2C)CC[C@@H]1[NH3+] ZINC000647497553 1020771016 /nfs/dbraw/zinc/77/10/16/1020771016.db2.gz MAUWFWKVTLLGPD-WFASDCNBSA-N 2 0 300.368 3.573 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001171958552 1032927545 /nfs/dbraw/zinc/92/75/45/1032927545.db2.gz BJNXGLHBQFCFGY-BBRMVZONSA-N 2 0 314.395 3.710 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC000414075333 1020849857 /nfs/dbraw/zinc/84/98/57/1020849857.db2.gz HCOFYZWMBHQIPW-HNNXBMFYSA-N 2 0 304.478 3.917 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171966505 1032937867 /nfs/dbraw/zinc/93/78/67/1032937867.db2.gz VEZWWUNHOJYJBF-GOSISDBHSA-N 2 0 316.489 3.588 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414106425 1020893596 /nfs/dbraw/zinc/89/35/96/1020893596.db2.gz QWMCUGFMLZAAAY-FUHWJXTLSA-N 2 0 304.865 3.828 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000164192039 1020899707 /nfs/dbraw/zinc/89/97/07/1020899707.db2.gz GZIIWOUQVHNTOG-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414168557 1020956385 /nfs/dbraw/zinc/95/63/85/1020956385.db2.gz AMHMHQGTTKDHDO-FXAWDEMLSA-N 2 0 300.490 3.638 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000414175293 1020963839 /nfs/dbraw/zinc/96/38/39/1020963839.db2.gz HJOGIDHGOTWHGD-QFBILLFUSA-N 2 0 304.478 3.714 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000414188428 1020974553 /nfs/dbraw/zinc/97/45/53/1020974553.db2.gz QRIKYRQQIAKYKY-RHSMWYFYSA-N 2 0 322.880 3.875 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000414191478 1020977530 /nfs/dbraw/zinc/97/75/30/1020977530.db2.gz SNSWOWHHOAXZMV-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)[C@H](C)C1 ZINC000414192739 1020981210 /nfs/dbraw/zinc/98/12/10/1020981210.db2.gz MJDJLRNBRFKFFT-GTAWCEEGSA-N 2 0 322.537 3.539 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000414194388 1020982735 /nfs/dbraw/zinc/98/27/35/1020982735.db2.gz URLICLIAGZLGBA-RHSMWYFYSA-N 2 0 322.880 3.875 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000613492343 1021000826 /nfs/dbraw/zinc/00/08/26/1021000826.db2.gz IJQOZXLSXLPVFA-UHFFFAOYSA-N 2 0 310.432 3.909 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000716338464 1021015750 /nfs/dbraw/zinc/01/57/50/1021015750.db2.gz ZIYYJJYAXZAMDA-UHFFFAOYSA-N 2 0 315.288 4.000 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000318478549 1021022592 /nfs/dbraw/zinc/02/25/92/1021022592.db2.gz BEILFLLDLRGMEN-INIZCTEOSA-N 2 0 300.490 3.948 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000414240582 1021024560 /nfs/dbraw/zinc/02/45/60/1021024560.db2.gz NNSCCXOROXWHFJ-FEHORTKBSA-N 2 0 322.537 3.823 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)c2ccccc12 ZINC000766274770 1021036943 /nfs/dbraw/zinc/03/69/43/1021036943.db2.gz UTGZKPIPFVHLQS-HZPDHXFCSA-N 2 0 312.457 3.983 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000414308957 1021080619 /nfs/dbraw/zinc/08/06/19/1021080619.db2.gz QWZVHUWJSRRCOU-RYRKJORJSA-N 2 0 308.510 3.577 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000892612399 1021089813 /nfs/dbraw/zinc/08/98/13/1021089813.db2.gz IIVUWLSTLXLGGS-UHFFFAOYSA-N 2 0 316.420 3.663 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(F)c(C)c2)c1 ZINC000892613702 1021096784 /nfs/dbraw/zinc/09/67/84/1021096784.db2.gz XYXMAUJIHRYREK-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647548873 1021155614 /nfs/dbraw/zinc/15/56/14/1021155614.db2.gz YZRYXMDFRGZVMK-NZSAHSFTSA-N 2 0 316.489 3.589 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423369565 1021188196 /nfs/dbraw/zinc/18/81/96/1021188196.db2.gz FDTWQUIKYWXKLR-KFWWJZLASA-N 2 0 311.267 3.760 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CC[NH2+]1 ZINC000423369744 1021189106 /nfs/dbraw/zinc/18/91/06/1021189106.db2.gz GFBZYMUJPGCHAV-WPGHFRTFSA-N 2 0 323.278 3.557 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000423394347 1021194548 /nfs/dbraw/zinc/19/45/48/1021194548.db2.gz RHWSDQWIEJACEX-SDDRHHMPSA-N 2 0 302.340 3.506 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)[C@@H](C)C1 ZINC000537984943 1032962443 /nfs/dbraw/zinc/96/24/43/1032962443.db2.gz NWLHVRFBNIRZHC-FRYIKTPZSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392675 1021220617 /nfs/dbraw/zinc/22/06/17/1021220617.db2.gz KLQOTBIAYWKNEC-ZHALLVOQSA-N 2 0 300.490 3.718 20 0 DHADRP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000090585866 1021233594 /nfs/dbraw/zinc/23/35/94/1021233594.db2.gz JSXLIQIHOYUBJC-DLBZAZTESA-N 2 0 304.478 3.714 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171980030 1032967230 /nfs/dbraw/zinc/96/72/30/1032967230.db2.gz OKAVMRJKAFWTJH-QRQLOZEOSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000423474747 1021255040 /nfs/dbraw/zinc/25/50/40/1021255040.db2.gz IMHWJMZGOXBLRD-UXHICEINSA-N 2 0 309.457 3.502 20 0 DHADRP C[N@H+](CCCC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001202433577 1021267025 /nfs/dbraw/zinc/26/70/25/1021267025.db2.gz SWTDHSVPDHFHAP-MRXNPFEDSA-N 2 0 314.395 3.783 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2OC)C2CCCC2)C1 ZINC000091287721 1021274916 /nfs/dbraw/zinc/27/49/16/1021274916.db2.gz TUDPTCQHFUINLN-OXQOHEQNSA-N 2 0 316.489 3.858 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000091333246 1021276040 /nfs/dbraw/zinc/27/60/40/1021276040.db2.gz VFQUQQIYLCKUHH-OXQOHEQNSA-N 2 0 316.489 3.856 20 0 DHADRP Clc1ccc2c(c1)nccc2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673218 1021300723 /nfs/dbraw/zinc/30/07/23/1021300723.db2.gz HLZAWDOXKDKPBH-KBPBESRZSA-N 2 0 301.821 3.927 20 0 DHADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262709598 1021441601 /nfs/dbraw/zinc/44/16/01/1021441601.db2.gz OYJRTBHMQGJGRR-DNVCBOLYSA-N 2 0 317.477 3.517 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001172101121 1032982469 /nfs/dbraw/zinc/98/24/69/1032982469.db2.gz WOFLBAUYKRHOET-QKDCVEJESA-N 2 0 312.379 3.810 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)CC[N@@H+]1C ZINC000129518465 1021502201 /nfs/dbraw/zinc/50/22/01/1021502201.db2.gz LSDFWSWXOCJYMA-PXNSSMCTSA-N 2 0 324.468 3.838 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000129529725 1021505974 /nfs/dbraw/zinc/50/59/74/1021505974.db2.gz DSQBWVWIFWPHMC-UWJYYQICSA-N 2 0 324.468 3.695 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058516 1021507759 /nfs/dbraw/zinc/50/77/59/1021507759.db2.gz LCYIBQGVERYOFG-GJZGRUSLSA-N 2 0 300.421 3.971 20 0 DHADRP Cc1nc2c(n1[C@H]1CC[N@H+](C[C@@H]3CCC(F)(F)C3)C1)CCCC2 ZINC000450784224 1021526956 /nfs/dbraw/zinc/52/69/56/1021526956.db2.gz HTGOPNVGXRTCGW-CABCVRRESA-N 2 0 323.431 3.753 20 0 DHADRP F[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063592 1032987636 /nfs/dbraw/zinc/98/76/36/1032987636.db2.gz BZDPWRIHPKSTJC-DHUDUYKCSA-N 2 0 316.464 3.910 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)CCCO2 ZINC000850474863 1021553996 /nfs/dbraw/zinc/55/39/96/1021553996.db2.gz RJTSCLAATWAEPB-HNNXBMFYSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1C ZINC000850522637 1021574426 /nfs/dbraw/zinc/57/44/26/1021574426.db2.gz JKKWCOPDOBAHIR-UHFFFAOYSA-N 2 0 300.490 3.843 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000070171889 1021577594 /nfs/dbraw/zinc/57/75/94/1021577594.db2.gz VXTIZHDZRYJAHI-WCQYABFASA-N 2 0 318.408 3.858 20 0 DHADRP FC1(F)CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063619 1032990624 /nfs/dbraw/zinc/99/06/24/1032990624.db2.gz AHSNHWCSXZNNHI-XGWQRUHWSA-N 2 0 320.427 3.959 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000556177844 1021591371 /nfs/dbraw/zinc/59/13/71/1021591371.db2.gz OQWJJGZUIOUTSL-XIRDDKMYSA-N 2 0 308.416 3.847 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(s1)CCCC2 ZINC000130046865 1021605020 /nfs/dbraw/zinc/60/50/20/1021605020.db2.gz YSYPRUKSPFHPTO-UONOGXRCSA-N 2 0 304.503 3.762 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415013863 1021617814 /nfs/dbraw/zinc/61/78/14/1021617814.db2.gz LJXNLHUDBGQXIJ-CHWSQXEVSA-N 2 0 302.384 3.916 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597069 1021630004 /nfs/dbraw/zinc/63/00/04/1021630004.db2.gz OBGCHEPRDMEQIE-KRWDZBQOSA-N 2 0 324.468 3.766 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]CC2(SC)CCC2)cc1 ZINC000313934621 1021669371 /nfs/dbraw/zinc/66/93/71/1021669371.db2.gz WFPVLKDPIDNVQM-UHFFFAOYSA-N 2 0 306.519 3.904 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000926861287 1021673055 /nfs/dbraw/zinc/67/30/55/1021673055.db2.gz YINXCRDVYVTBAA-SNRMKQJTSA-N 2 0 304.478 3.604 20 0 DHADRP C[N@H+](CCCC[NH3+])Cc1cc(Cl)cc(C(F)(F)F)c1F ZINC001236142399 1021673545 /nfs/dbraw/zinc/67/35/45/1021673545.db2.gz XAGOIWLMRWJWNR-UHFFFAOYSA-N 2 0 312.738 3.669 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093941018 1021701653 /nfs/dbraw/zinc/70/16/53/1021701653.db2.gz CLFDUENQLSNBSU-IAGOWNOFSA-N 2 0 305.510 3.914 20 0 DHADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CSCc3ccccc32)CC1 ZINC000037786486 1021727736 /nfs/dbraw/zinc/72/77/36/1021727736.db2.gz JPCCGARLEWWPAQ-QGZVFWFLSA-N 2 0 304.503 3.827 20 0 DHADRP CSC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CCC1 ZINC000556475446 1021730178 /nfs/dbraw/zinc/73/01/78/1021730178.db2.gz VPEUWEHZYZEFRR-IRXDYDNUSA-N 2 0 310.551 3.859 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCc1ccc(Cl)cc1)C2 ZINC001172103725 1033004816 /nfs/dbraw/zinc/00/48/16/1033004816.db2.gz XBIGFODQNGUYFC-BCDXTJNWSA-N 2 0 306.881 3.878 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CCC[NH3+])c3ccccc31)C2 ZINC001172108104 1033009743 /nfs/dbraw/zinc/00/97/43/1033009743.db2.gz PPBYDGQZRSUIEZ-PIIMJCKOSA-N 2 0 311.473 3.720 20 0 DHADRP C[C@@H]([NH3+])Cc1cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001172109714 1033013627 /nfs/dbraw/zinc/01/36/27/1033013627.db2.gz KDTXSEKLZXBWRY-NRSFXHEJSA-N 2 0 311.473 3.719 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(OC(F)F)c1 ZINC000556859639 1021905700 /nfs/dbraw/zinc/90/57/00/1021905700.db2.gz VMMZKXFNBKPGIG-GRTSSRMGSA-N 2 0 312.404 3.811 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1C(F)(F)F ZINC000538244212 1033015002 /nfs/dbraw/zinc/01/50/02/1033015002.db2.gz HZKUVROAVTWVHM-QWHCGFSZSA-N 2 0 300.368 3.840 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000556872849 1021914569 /nfs/dbraw/zinc/91/45/69/1021914569.db2.gz RWYLFCXKGFEPBO-HOTGVXAUSA-N 2 0 324.459 3.996 20 0 DHADRP COc1c(F)cccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115739 1033015573 /nfs/dbraw/zinc/01/55/73/1033015573.db2.gz ZTGWXKWXIYGOKU-TUVASFSCSA-N 2 0 306.425 3.500 20 0 DHADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000556924112 1021948073 /nfs/dbraw/zinc/94/80/73/1021948073.db2.gz FZJMJRWSWKFIOC-IHPCNDPISA-N 2 0 316.489 3.618 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C2 ZINC001172112738 1033019853 /nfs/dbraw/zinc/01/98/53/1033019853.db2.gz ZLWPZSMIYPRJJA-VXSNREPFSA-N 2 0 318.427 3.960 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000053659042 1022012743 /nfs/dbraw/zinc/01/27/43/1022012743.db2.gz ICWIUBGYQRYWLT-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000620119790 1022039861 /nfs/dbraw/zinc/03/98/61/1022039861.db2.gz OJANSAXCBYCWLK-WMZOPIPTSA-N 2 0 304.478 3.543 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H](C)SC)ccc1OC ZINC000183378128 1022122886 /nfs/dbraw/zinc/12/28/86/1022122886.db2.gz NMIUMGDAIJEOGD-LSDHHAIUSA-N 2 0 324.534 3.939 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000925481482 1022149328 /nfs/dbraw/zinc/14/93/28/1022149328.db2.gz OFJLLRUFECVTIV-KRWDZBQOSA-N 2 0 322.456 3.565 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205996335 1022226360 /nfs/dbraw/zinc/22/63/60/1022226360.db2.gz WHHQADXPJOEAIH-GXTWGEPZSA-N 2 0 300.368 3.512 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001169070309 1022241515 /nfs/dbraw/zinc/24/15/15/1022241515.db2.gz NDGSLPHVKKQXNU-HSALFYBXSA-N 2 0 300.490 3.527 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)C2 ZINC001169093900 1022245213 /nfs/dbraw/zinc/24/52/13/1022245213.db2.gz JSGMIDZNYKFHSZ-QDMKHBRRSA-N 2 0 313.272 3.751 20 0 DHADRP CN(CCc1nsc2ccccc21)CC[C@@H]1CCCC[N@@H+]1C ZINC000659958833 1022248817 /nfs/dbraw/zinc/24/88/17/1022248817.db2.gz APLSCNXAIKAUIJ-HNNXBMFYSA-N 2 0 317.502 3.645 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001169079260 1022249719 /nfs/dbraw/zinc/24/97/19/1022249719.db2.gz QPDFINNNXBVJND-FQEVSTJZSA-N 2 0 302.506 3.917 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000181911488 1022250768 /nfs/dbraw/zinc/25/07/68/1022250768.db2.gz QCRSNWUGXZSUOH-JSGCOSHPSA-N 2 0 316.367 3.720 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001169085942 1022253942 /nfs/dbraw/zinc/25/39/42/1022253942.db2.gz QHHYZUHISJZNMZ-HSALFYBXSA-N 2 0 300.490 3.527 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001169086823 1022254834 /nfs/dbraw/zinc/25/48/34/1022254834.db2.gz WOVSJMZOXNSQJM-LJQANCHMSA-N 2 0 300.490 3.671 20 0 DHADRP Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169118561 1022258132 /nfs/dbraw/zinc/25/81/32/1022258132.db2.gz KJIPLJLYWHVRRY-LDLYASANSA-N 2 0 300.490 3.779 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CC1CC1)c1cccc(F)c1)C2 ZINC001169118853 1022259007 /nfs/dbraw/zinc/25/90/07/1022259007.db2.gz OORKIZFTCBMJDD-AKHDSKFASA-N 2 0 302.437 3.882 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1ccc(F)cc1)C2 ZINC001169118844 1022259590 /nfs/dbraw/zinc/25/95/90/1022259590.db2.gz ONZGUHOQXYZSDD-NNZMDNLPSA-N 2 0 304.453 3.609 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C=Cc4ccccc43)CC1)C2 ZINC001169129053 1022260324 /nfs/dbraw/zinc/26/03/24/1022260324.db2.gz GRFUDDDDHZZZGQ-REPLKXPHSA-N 2 0 308.469 3.672 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nccc2c1CCCC2 ZINC000921469102 1022261828 /nfs/dbraw/zinc/26/18/28/1022261828.db2.gz ATMAZRBCGUOYRW-INIZCTEOSA-N 2 0 303.494 3.561 20 0 DHADRP Cc1ccc(Cl)c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC001169110086 1022267228 /nfs/dbraw/zinc/26/72/28/1022267228.db2.gz KHMCWYSGLIZGMW-BTTYYORXSA-N 2 0 310.844 3.545 20 0 DHADRP Cc1ccc2c(C[C@H](C)[NH3+])cn([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC001169106858 1022268333 /nfs/dbraw/zinc/26/83/33/1022268333.db2.gz AMUNXQDZQLPWBQ-DZJNRPSUSA-N 2 0 311.473 3.637 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccccc3Cl)C1)C2 ZINC001169142226 1022272659 /nfs/dbraw/zinc/27/26/59/1022272659.db2.gz SVWGMDCTAZACAY-JONQDZQNSA-N 2 0 304.865 3.755 20 0 DHADRP Cc1cc2cc[nH]c2c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001169141922 1022272928 /nfs/dbraw/zinc/27/29/28/1022272928.db2.gz LEKHZFLODSEXSO-KDOFPFPSSA-N 2 0 300.450 3.827 20 0 DHADRP Cc1cc2[nH+]ccn2cc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142492 1022273945 /nfs/dbraw/zinc/27/39/45/1022273945.db2.gz GYVMPXTWJDELRC-KSSFIOAISA-N 2 0 300.450 3.598 20 0 DHADRP CC1(C)C[C@H](Nc2ccc(C3([NH3+])CCC3)cc2)C[C@](C)(C[NH3+])C1 ZINC001169142983 1022274309 /nfs/dbraw/zinc/27/43/09/1022274309.db2.gz IRLMUEKLKRTWQA-HKUYNNGSSA-N 2 0 315.505 3.980 20 0 DHADRP Cc1c[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169143701 1022274422 /nfs/dbraw/zinc/27/44/22/1022274422.db2.gz QESWHKPKGWGMJD-UGSOOPFHSA-N 2 0 300.450 3.827 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H]1c1ccccc1F)C2 ZINC001169142428 1022275394 /nfs/dbraw/zinc/27/53/94/1022275394.db2.gz UMVSJGSVKRVKQE-RCJHGTSTSA-N 2 0 302.437 3.978 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3cccc(Cl)c3)C1)C2 ZINC001169147086 1022277815 /nfs/dbraw/zinc/27/78/15/1022277815.db2.gz SRDALMNKNCOPRR-DZJNRPSUSA-N 2 0 304.865 3.755 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Cc3ccc(F)cc3)C1)C2 ZINC001169153332 1022285154 /nfs/dbraw/zinc/28/51/54/1022285154.db2.gz IXHRGCSFBOPBGT-IJXRJRJASA-N 2 0 316.464 3.705 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](Sc3ccc(F)cc3)C1)C2 ZINC001169155764 1022285994 /nfs/dbraw/zinc/28/59/94/1022285994.db2.gz UMXBPBCPCNANRG-DFGXFYAUSA-N 2 0 320.477 3.617 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000267286791 1022305650 /nfs/dbraw/zinc/30/56/50/1022305650.db2.gz WRVLBQYITSRVAO-IBGZPJMESA-N 2 0 300.421 3.847 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)CSC)ccc1OC ZINC000182995911 1022318580 /nfs/dbraw/zinc/31/85/80/1022318580.db2.gz BAAKSGHDKHDESE-CABCVRRESA-N 2 0 324.534 3.939 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)CSC)ccc1OC ZINC000182995872 1022318693 /nfs/dbraw/zinc/31/86/93/1022318693.db2.gz BAAKSGHDKHDESE-GJZGRUSLSA-N 2 0 324.534 3.939 20 0 DHADRP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000155129244 1022370165 /nfs/dbraw/zinc/37/01/65/1022370165.db2.gz RIDAVCMDSDGMKK-HKUYNNGSSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000155410714 1022397676 /nfs/dbraw/zinc/39/76/76/1022397676.db2.gz PCDAGCKXGMWGBV-KEYYUXOJSA-N 2 0 306.881 3.690 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)c1ccc(-n2ccnc2)cc1 ZINC000337534267 1033054800 /nfs/dbraw/zinc/05/48/00/1033054800.db2.gz FLSOXHNMSUSHFY-RCBQFDQVSA-N 2 0 321.371 3.683 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649288548 1022419271 /nfs/dbraw/zinc/41/92/71/1022419271.db2.gz YLWRPFABOGQOOL-OAHLLOKOSA-N 2 0 317.477 3.517 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000156804835 1022495391 /nfs/dbraw/zinc/49/53/91/1022495391.db2.gz BKCSWRHDOKIQQG-HOTGVXAUSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000272260278 1022497933 /nfs/dbraw/zinc/49/79/33/1022497933.db2.gz WZBWXLKWKZTKJM-ABSDTBQOSA-N 2 0 309.457 3.643 20 0 DHADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000660113594 1022519119 /nfs/dbraw/zinc/51/91/19/1022519119.db2.gz CGZOIGINZQKHHJ-DFQSSKMNSA-N 2 0 320.521 3.530 20 0 DHADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000660113599 1022519513 /nfs/dbraw/zinc/51/95/13/1022519513.db2.gz CGZOIGINZQKHHJ-MISYRCLQSA-N 2 0 320.521 3.530 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000671109047 1022534651 /nfs/dbraw/zinc/53/46/51/1022534651.db2.gz UVRNTQQNARPDSX-QGZVFWFLSA-N 2 0 318.505 3.822 20 0 DHADRP Cc1cc(Cl)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1O ZINC000179827038 1022553026 /nfs/dbraw/zinc/55/30/26/1022553026.db2.gz DTCSNFGLUUQYIK-UHFFFAOYSA-N 2 0 310.869 3.518 20 0 DHADRP C[C@H]([NH2+]CCCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866759 1022575923 /nfs/dbraw/zinc/57/59/23/1022575923.db2.gz DYEWEKAXZHPYLR-HOCLYGCPSA-N 2 0 314.395 3.829 20 0 DHADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925577998 1022592127 /nfs/dbraw/zinc/59/21/27/1022592127.db2.gz YKCVSSHLVIXSPR-QYZOEREBSA-N 2 0 304.478 3.507 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000158185098 1022610390 /nfs/dbraw/zinc/61/03/90/1022610390.db2.gz ASMYDWJIFJTHFH-XHBSWPGZSA-N 2 0 315.288 3.854 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000158212272 1022615955 /nfs/dbraw/zinc/61/59/55/1022615955.db2.gz HHAQVXGJAZNWJM-HIFRSBDPSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000158271139 1022621172 /nfs/dbraw/zinc/62/11/72/1022621172.db2.gz YRYKDYDKDWITPD-DLBZAZTESA-N 2 0 309.457 3.741 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000158999096 1022679781 /nfs/dbraw/zinc/67/97/81/1022679781.db2.gz JBZNJCYYHLBHGP-YOEHRIQHSA-N 2 0 306.881 3.692 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)CC(C)C ZINC000417328594 1022680768 /nfs/dbraw/zinc/68/07/68/1022680768.db2.gz CLPSYVNUUVMGKD-NEWSRXKRSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)NCc2cc(C3CC3)no2)cc1 ZINC000660202201 1022713555 /nfs/dbraw/zinc/71/35/55/1022713555.db2.gz ADLPEPHTACFSQH-ZDUSSCGKSA-N 2 0 322.412 3.897 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCCc1cncn1C ZINC000584788023 1022742548 /nfs/dbraw/zinc/74/25/48/1022742548.db2.gz IOPYSSGZJDIGOG-IBGZPJMESA-N 2 0 317.452 3.691 20 0 DHADRP CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605375 1022836788 /nfs/dbraw/zinc/83/67/88/1022836788.db2.gz WJKFTOMZHIYWOG-APWZRJJASA-N 2 0 319.493 3.564 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172320132 1033084646 /nfs/dbraw/zinc/08/46/46/1033084646.db2.gz VIUHVZOHWFWTSR-LNLFQRSKSA-N 2 0 306.494 3.863 20 0 DHADRP CCCCCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591123 1022838559 /nfs/dbraw/zinc/83/85/59/1022838559.db2.gz IPIXKCNJDFLHIA-IBGZPJMESA-N 2 0 319.493 3.567 20 0 DHADRP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000768087020 1022879295 /nfs/dbraw/zinc/87/92/95/1022879295.db2.gz LHCHLMIALRIECY-KRWDZBQOSA-N 2 0 304.478 3.640 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CC=C(c3ccc(F)cc3)CC1)[NH2+]2 ZINC000925628830 1022892909 /nfs/dbraw/zinc/89/29/09/1022892909.db2.gz JUTFZLCKRLWIBS-DBTZYBQZSA-N 2 0 314.448 3.880 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)CC[N@@H+]1C ZINC000159301877 1022898415 /nfs/dbraw/zinc/89/84/15/1022898415.db2.gz CZVVAQXJHOTVTF-QAPCUYQASA-N 2 0 304.453 3.710 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000414923620 1022912743 /nfs/dbraw/zinc/91/27/43/1022912743.db2.gz ISSPVCNEACVWSC-HOTGVXAUSA-N 2 0 314.395 3.888 20 0 DHADRP FC(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925640015 1022922847 /nfs/dbraw/zinc/92/28/47/1022922847.db2.gz PZMDDPLMXWMIRV-IRXDYDNUSA-N 2 0 308.416 3.882 20 0 DHADRP CC(C)CC[NH+]1CCC(N[C@H](c2cccnc2)C2CC2)CC1 ZINC000925642365 1022928679 /nfs/dbraw/zinc/92/86/79/1022928679.db2.gz GLDVQLHDTXTHDD-IBGZPJMESA-N 2 0 301.478 3.633 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172326845 1033089103 /nfs/dbraw/zinc/08/91/03/1033089103.db2.gz BJXHQQAHAIAOQJ-ROUUACIJSA-N 2 0 318.505 3.616 20 0 DHADRP FC1(F)CC(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000293798016 1022971875 /nfs/dbraw/zinc/97/18/75/1022971875.db2.gz UTZBCNSOKGBVEA-OKZBNKHCSA-N 2 0 320.427 3.532 20 0 DHADRP FC(F)(F)c1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)cc1 ZINC000622003762 1022987940 /nfs/dbraw/zinc/98/79/40/1022987940.db2.gz FNISEHNOJUYGMS-UHFFFAOYSA-N 2 0 312.379 3.674 20 0 DHADRP Cc1cnccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000296038071 1023001710 /nfs/dbraw/zinc/00/17/10/1023001710.db2.gz NUHOKNNLFZPJIJ-FQEVSTJZSA-N 2 0 323.484 3.782 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000295971192 1023002333 /nfs/dbraw/zinc/00/23/33/1023002333.db2.gz NWVLTGDUXIVYCD-RJPYNODJSA-N 2 0 312.379 3.981 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043712 1023003629 /nfs/dbraw/zinc/00/36/29/1023003629.db2.gz IMMMMPBZFJDTDT-NEPJUHHUSA-N 2 0 300.368 3.800 20 0 DHADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000298555150 1023033223 /nfs/dbraw/zinc/03/32/23/1023033223.db2.gz VDUPHRDIAVKIGY-UHFFFAOYSA-N 2 0 315.486 3.679 20 0 DHADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000651489828 1023035222 /nfs/dbraw/zinc/03/52/22/1023035222.db2.gz LYJYIUDBJRERGS-IRXDYDNUSA-N 2 0 318.505 3.584 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1cc(OC(C)(C)C)cc[nH+]1 ZINC001167754276 1023049180 /nfs/dbraw/zinc/04/91/80/1023049180.db2.gz QRDSEMQTNWLIFS-HNNXBMFYSA-N 2 0 305.466 3.935 20 0 DHADRP C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1cccnc1Cl ZINC000162744235 1023186582 /nfs/dbraw/zinc/18/65/82/1023186582.db2.gz CGJTYWMLUYTBTM-OAHLLOKOSA-N 2 0 317.864 3.908 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172340447 1033124293 /nfs/dbraw/zinc/12/42/93/1033124293.db2.gz KAQPQBLGBMMVSO-QYZOEREBSA-N 2 0 310.526 3.921 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000652139605 1023357506 /nfs/dbraw/zinc/35/75/06/1023357506.db2.gz PBVAROHKXZYKNG-KXBFYZLASA-N 2 0 304.453 3.987 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000925720791 1023428806 /nfs/dbraw/zinc/42/88/06/1023428806.db2.gz JUQMAZAICMMRGX-KGLIPLIRSA-N 2 0 301.261 3.640 20 0 DHADRP C[C@@H]1CCCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000651748495 1023518269 /nfs/dbraw/zinc/51/82/69/1023518269.db2.gz NXHRKRYEAJDYPJ-VQIMIIECSA-N 2 0 301.478 3.856 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)N(c1cc[nH+]cc1C)C1CC[NH2+]CC1 ZINC001172360934 1033139081 /nfs/dbraw/zinc/13/90/81/1033139081.db2.gz LIOAAJOISHFRBY-IAGOWNOFSA-N 2 0 319.493 3.542 20 0 DHADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000651758706 1023521094 /nfs/dbraw/zinc/52/10/94/1023521094.db2.gz KZHGMTLVEXGAGG-ULQDDVLXSA-N 2 0 310.526 3.680 20 0 DHADRP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000651758707 1023521997 /nfs/dbraw/zinc/52/19/97/1023521997.db2.gz KZHGMTLVEXGAGG-ZACQAIPSSA-N 2 0 310.526 3.680 20 0 DHADRP CC[C@H](C)OCC[C@H](C)N(c1cc[nH+]cc1C)C1CC[NH2+]CC1 ZINC001172360935 1033139514 /nfs/dbraw/zinc/13/95/14/1033139514.db2.gz LIOAAJOISHFRBY-IRXDYDNUSA-N 2 0 319.493 3.542 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000538721638 1033145382 /nfs/dbraw/zinc/14/53/82/1033145382.db2.gz WGWXEYVKAINITN-QGZVFWFLSA-N 2 0 316.489 3.869 20 0 DHADRP CC[N@H+](Cc1cc2cnccc2o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000651808058 1023559494 /nfs/dbraw/zinc/55/94/94/1023559494.db2.gz DAXWCXYJHRQYFD-UHFFFAOYSA-N 2 0 323.440 3.912 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(C)C)cc2)[C@H](C)C1 ZINC000538717202 1033143962 /nfs/dbraw/zinc/14/39/62/1033143962.db2.gz JUCDSNGARLPGBO-YLJYHZDGSA-N 2 0 318.505 3.884 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3F)CCC2)[C@@H](C)C1 ZINC000651863950 1023599578 /nfs/dbraw/zinc/59/95/78/1023599578.db2.gz CFDNKJLWMXSIGQ-MAUKXSAKSA-N 2 0 304.453 3.567 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000651909952 1023631525 /nfs/dbraw/zinc/63/15/25/1023631525.db2.gz BHRVQWWEARMNCP-QGZVFWFLSA-N 2 0 308.510 3.722 20 0 DHADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000651932841 1023656892 /nfs/dbraw/zinc/65/68/92/1023656892.db2.gz DNVYVGPZNLIUPD-IBGZPJMESA-N 2 0 313.420 3.930 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150854 1023681059 /nfs/dbraw/zinc/68/10/59/1023681059.db2.gz BCVOISUYHSSDAZ-QFBILLFUSA-N 2 0 301.478 3.634 20 0 DHADRP CC[C@@H](CC(C)C)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172403003 1033153876 /nfs/dbraw/zinc/15/38/76/1033153876.db2.gz YCLHARBVPVBHQB-WDSOQIARSA-N 2 0 303.494 3.978 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001170061471 1023714629 /nfs/dbraw/zinc/71/46/29/1023714629.db2.gz RAVIHUUOADSKJS-KRWDZBQOSA-N 2 0 306.494 3.931 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)C[C@H]1C ZINC000538738491 1033157885 /nfs/dbraw/zinc/15/78/85/1033157885.db2.gz YUZMNGXCVVTVBI-AEFFLSMTSA-N 2 0 304.478 3.617 20 0 DHADRP CCOCC[C@H](C)[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172414395 1033159577 /nfs/dbraw/zinc/15/95/77/1033159577.db2.gz PUEGSIMQZLYKHL-WDSOQIARSA-N 2 0 310.526 3.954 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000164614637 1023809935 /nfs/dbraw/zinc/80/99/35/1023809935.db2.gz DFLIAKBMXXMVEQ-INIZCTEOSA-N 2 0 301.459 3.798 20 0 DHADRP Fc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661966325 1023831167 /nfs/dbraw/zinc/83/11/67/1023831167.db2.gz GODOMZIJUYHHAC-XDNAFOTISA-N 2 0 314.448 3.509 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)n1 ZINC001206035163 1023842149 /nfs/dbraw/zinc/84/21/49/1023842149.db2.gz BWPLNCLZHMBJHH-KGLIPLIRSA-N 2 0 309.885 3.665 20 0 DHADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172384273 1033169635 /nfs/dbraw/zinc/16/96/35/1033169635.db2.gz VHLKDMLSWQESNY-RLFYNMQTSA-N 2 0 301.478 3.773 20 0 DHADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000246009612 1023896483 /nfs/dbraw/zinc/89/64/83/1023896483.db2.gz YELHUESBWIOLEO-MSOLQXFVSA-N 2 0 316.489 3.607 20 0 DHADRP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000788622191 1023915464 /nfs/dbraw/zinc/91/54/64/1023915464.db2.gz PUHOENKUGOKOKG-RBUKOAKNSA-N 2 0 318.505 3.597 20 0 DHADRP CC(C)CCC[C@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001170088540 1023925467 /nfs/dbraw/zinc/92/54/67/1023925467.db2.gz UWSLLDWETYVLDN-KRWDZBQOSA-N 2 0 310.526 3.776 20 0 DHADRP CCCCC[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000662153257 1023930310 /nfs/dbraw/zinc/93/03/10/1023930310.db2.gz CDWXOHITAJBQJZ-HXUWFJFHSA-N 2 0 323.569 3.837 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000252952285 1023930842 /nfs/dbraw/zinc/93/08/42/1023930842.db2.gz NJEJUAPDWWIVTB-ZIAGYGMSSA-N 2 0 310.869 3.817 20 0 DHADRP CCCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000388619580 1023961361 /nfs/dbraw/zinc/96/13/61/1023961361.db2.gz NKPHNKQVEUEAEH-WMZOPIPTSA-N 2 0 304.478 3.828 20 0 DHADRP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000538797170 1033183464 /nfs/dbraw/zinc/18/34/64/1033183464.db2.gz RMJYMSIBWJBNBG-QCFAMHMHSA-N 2 0 310.485 3.739 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000538798476 1033183999 /nfs/dbraw/zinc/18/39/99/1033183999.db2.gz HRSNUEGKISNERZ-ICSRJNTNSA-N 2 0 316.489 3.638 20 0 DHADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC000662273824 1024055871 /nfs/dbraw/zinc/05/58/71/1024055871.db2.gz PWEDOVHNMCSDFC-GJZGRUSLSA-N 2 0 322.880 3.560 20 0 DHADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011061 1024057037 /nfs/dbraw/zinc/05/70/37/1024057037.db2.gz MZVZPJMYRRRBNR-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662285039 1024066697 /nfs/dbraw/zinc/06/66/97/1024066697.db2.gz VCOBPJRWCVLNSK-XDNAFOTISA-N 2 0 308.510 3.564 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc4ccccc34)CC[C@H]21 ZINC000538796560 1033180883 /nfs/dbraw/zinc/18/08/83/1033180883.db2.gz LGRYYXYUMPHBKW-WMLDXEAASA-N 2 0 300.471 3.817 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)[C@@H]1CCC[NH3+] ZINC000662317915 1024103614 /nfs/dbraw/zinc/10/36/14/1024103614.db2.gz VOTAMQPQIPVZMT-ZIAGYGMSSA-N 2 0 319.474 3.743 20 0 DHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)COC2 ZINC000268733462 1024149664 /nfs/dbraw/zinc/14/96/64/1024149664.db2.gz NDKNBARQOXNUIX-HZPDHXFCSA-N 2 0 302.462 3.632 20 0 DHADRP COCc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000268770261 1024154719 /nfs/dbraw/zinc/15/47/19/1024154719.db2.gz DPSAOBILKSHKII-UHFFFAOYSA-N 2 0 316.445 3.556 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001170117850 1024163677 /nfs/dbraw/zinc/16/36/77/1024163677.db2.gz OAWXKXVJVAOYGU-ZBFHGGJFSA-N 2 0 306.881 3.864 20 0 DHADRP COc1ccccc1C[N@H+]([C@@H]1CC[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170118288 1024166083 /nfs/dbraw/zinc/16/60/83/1024166083.db2.gz REOUTAZWYFYXGZ-NXWXRZEISA-N 2 0 316.489 3.956 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347012 1024178922 /nfs/dbraw/zinc/17/89/22/1024178922.db2.gz FLAWVJCSLLLRMY-LJQANCHMSA-N 2 0 316.489 3.687 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000925766720 1024185417 /nfs/dbraw/zinc/18/54/17/1024185417.db2.gz LLSQEFMFADDSLZ-UZLBHIALSA-N 2 0 311.473 3.767 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000162548103 1024185520 /nfs/dbraw/zinc/18/55/20/1024185520.db2.gz VIDMCAGMNPCORK-HXUWFJFHSA-N 2 0 312.457 3.868 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000882981815 1024194634 /nfs/dbraw/zinc/19/46/34/1024194634.db2.gz VDHIRHCURJKAHN-UHFFFAOYSA-N 2 0 324.468 3.501 20 0 DHADRP C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000268974948 1024208180 /nfs/dbraw/zinc/20/81/80/1024208180.db2.gz NJGZPYIHRSWDMB-CYBMUJFWSA-N 2 0 318.383 3.620 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790048473 1024212521 /nfs/dbraw/zinc/21/25/21/1024212521.db2.gz HRZONHXFLDLWGX-MJGOQNOKSA-N 2 0 300.490 3.961 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000876971458 1033193906 /nfs/dbraw/zinc/19/39/06/1033193906.db2.gz AFWNXGUITFSSNQ-QGZVFWFLSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000531689232 1024264341 /nfs/dbraw/zinc/26/43/41/1024264341.db2.gz TZOCJYYAPBWEQV-ZDUSSCGKSA-N 2 0 316.367 3.722 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000531683521 1024269052 /nfs/dbraw/zinc/26/90/52/1024269052.db2.gz SHDYYBXGEDVXRB-SQGPQFPESA-N 2 0 318.505 3.726 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000068722651 1024271602 /nfs/dbraw/zinc/27/16/02/1024271602.db2.gz DZFMZXQNXASXNF-FQEVSTJZSA-N 2 0 324.468 3.697 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001172436414 1033198508 /nfs/dbraw/zinc/19/85/08/1033198508.db2.gz AWQIJGJTCIKVNZ-QGZVFWFLSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000453068343 1024299304 /nfs/dbraw/zinc/29/93/04/1024299304.db2.gz YJTFJVLDQINMBU-RTBURBONSA-N 2 0 317.521 3.895 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000453065381 1024311965 /nfs/dbraw/zinc/31/19/65/1024311965.db2.gz UUBWIODLFOWUNI-ZIFCJYIRSA-N 2 0 303.494 3.880 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172439944 1033201861 /nfs/dbraw/zinc/20/18/61/1033201861.db2.gz HFLAAPRFCYKASG-QZTJIDSGSA-N 2 0 308.510 3.600 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000269996795 1024336700 /nfs/dbraw/zinc/33/67/00/1024336700.db2.gz WOHSYECYKMRWAV-QZTJIDSGSA-N 2 0 311.473 3.810 20 0 DHADRP CC(C)OCC[C@H](C)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172444182 1033204949 /nfs/dbraw/zinc/20/49/49/1033204949.db2.gz JTACBCFMMJFTET-WDSOQIARSA-N 2 0 310.526 3.952 20 0 DHADRP CC1CCC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000663464050 1024399574 /nfs/dbraw/zinc/39/95/74/1024399574.db2.gz IERNLZPMIMGCLC-OWODTTCDSA-N 2 0 322.537 3.560 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663465823 1024401102 /nfs/dbraw/zinc/40/11/02/1024401102.db2.gz LPQNXOFHZOAXDT-WMZOPIPTSA-N 2 0 316.489 3.776 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000883356659 1024401858 /nfs/dbraw/zinc/40/18/58/1024401858.db2.gz RWDMJKMQLPILQQ-QRQLOZEOSA-N 2 0 320.521 3.721 20 0 DHADRP c1ccc2c(c1)CCC([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663465828 1024402986 /nfs/dbraw/zinc/40/29/86/1024402986.db2.gz LQXUBLQUVBGYSD-SFHVURJKSA-N 2 0 312.501 3.646 20 0 DHADRP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467176 1024409831 /nfs/dbraw/zinc/40/98/31/1024409831.db2.gz DDWBUTQDJRBVSP-RDJZCZTQSA-N 2 0 304.503 3.837 20 0 DHADRP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468291 1024414095 /nfs/dbraw/zinc/41/40/95/1024414095.db2.gz LJSCWBAEAFUFLR-DNVCBOLYSA-N 2 0 302.437 3.525 20 0 DHADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467699 1024415601 /nfs/dbraw/zinc/41/56/01/1024415601.db2.gz HFNYNSRXACWJFA-PMACEKPBSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000663472177 1024427292 /nfs/dbraw/zinc/42/72/92/1024427292.db2.gz ZFUIZPHYQUIAQP-XIGKFDRGSA-N 2 0 312.501 3.890 20 0 DHADRP C[N@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424453 1024433578 /nfs/dbraw/zinc/43/35/78/1024433578.db2.gz SQYMZTBMSVKDEI-MJIXASBWSA-N 2 0 314.473 3.512 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883424462 1024433893 /nfs/dbraw/zinc/43/38/93/1024433893.db2.gz TWQWECCLYQQZON-NOSIKRSBSA-N 2 0 314.473 3.641 20 0 DHADRP CCC[N@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883423981 1024434263 /nfs/dbraw/zinc/43/42/63/1024434263.db2.gz AQYKSHJIFPDKJE-WOJBJXKFSA-N 2 0 316.489 3.761 20 0 DHADRP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000453285504 1024439531 /nfs/dbraw/zinc/43/95/31/1024439531.db2.gz JCVZWILPFDOADZ-WKCHPHFGSA-N 2 0 321.468 3.675 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000453275522 1024449393 /nfs/dbraw/zinc/44/93/93/1024449393.db2.gz YMNPLKYSNUFPKY-HNJRGHQBSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(-c2ccncc2)cc1 ZINC000643458841 1024474484 /nfs/dbraw/zinc/47/44/84/1024474484.db2.gz WGRLFEOERQDXCT-SHPPYHEDSA-N 2 0 309.457 3.917 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000663504313 1024491031 /nfs/dbraw/zinc/49/10/31/1024491031.db2.gz ZCDNGCCUHJRSKM-CZUORRHYSA-N 2 0 316.411 3.990 20 0 DHADRP Clc1cccc(CC2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453379123 1024497870 /nfs/dbraw/zinc/49/78/70/1024497870.db2.gz QKRUATIPINIGQF-DLBZAZTESA-N 2 0 304.865 3.632 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402777 1024499640 /nfs/dbraw/zinc/49/96/40/1024499640.db2.gz NVVOEIMXUDBVOM-GOSISDBHSA-N 2 0 302.462 3.673 20 0 DHADRP CC(C)COCC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001172462280 1033215514 /nfs/dbraw/zinc/21/55/14/1033215514.db2.gz DKIAOUAIFGGTJH-MSOLQXFVSA-N 2 0 306.494 3.535 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCc1ccc(OC)cc1 ZINC001167826530 1024502629 /nfs/dbraw/zinc/50/26/29/1024502629.db2.gz PRZBBTTVZXMGOL-QGZVFWFLSA-N 2 0 306.494 3.680 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)C1CC1 ZINC000453411459 1024505472 /nfs/dbraw/zinc/50/54/72/1024505472.db2.gz VNTMSPYXZKJDDE-SFHVURJKSA-N 2 0 314.473 3.897 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000453415030 1024507933 /nfs/dbraw/zinc/50/79/33/1024507933.db2.gz WYXGSMHXTTVDDU-QUCCMNQESA-N 2 0 300.490 3.961 20 0 DHADRP CCC(C)(C)OCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453418351 1024508076 /nfs/dbraw/zinc/50/80/76/1024508076.db2.gz WIUPBUHLKHNMEL-HKUYNNGSSA-N 2 0 318.505 3.692 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C3CCC3)CCC2)[C@@H](C)C1 ZINC000453390662 1024510730 /nfs/dbraw/zinc/51/07/30/1024510730.db2.gz HCEDAULYFUQYIW-PKOBYXMFSA-N 2 0 322.537 3.683 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001167827445 1024510971 /nfs/dbraw/zinc/51/09/71/1024510971.db2.gz WDAOWTQSAOHWRI-GOSISDBHSA-N 3 0 311.558 3.549 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102422635 1024533554 /nfs/dbraw/zinc/53/35/54/1024533554.db2.gz SNYZVZALXWXCIN-QGZVFWFLSA-N 2 0 314.473 3.707 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000532072619 1024540822 /nfs/dbraw/zinc/54/08/22/1024540822.db2.gz OARWVZBCWDNMNT-UHFFFAOYSA-N 2 0 319.424 3.519 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000315401422 1024561303 /nfs/dbraw/zinc/56/13/03/1024561303.db2.gz AQHPMUOCVZLXKR-UHFFFAOYSA-N 2 0 319.836 3.556 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC(N(C)Cc3cccc(F)c3)CC2)C1 ZINC001170160413 1024578040 /nfs/dbraw/zinc/57/80/40/1024578040.db2.gz YYTLOLIQRNINSV-DNVCBOLYSA-N 2 0 304.453 3.911 20 0 DHADRP Cc1nccn1CC[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000532219656 1024580996 /nfs/dbraw/zinc/58/09/96/1024580996.db2.gz CIZQEFDBPAMNQN-INIZCTEOSA-N 2 0 315.461 3.967 20 0 DHADRP CCc1ccc(-c2ccc(C[NH2+]CC3CC[NH+](C)CC3)o2)cc1 ZINC000525802630 1024651964 /nfs/dbraw/zinc/65/19/64/1024651964.db2.gz RNOFLEZPAQFZLR-UHFFFAOYSA-N 2 0 312.457 3.940 20 0 DHADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806737 1024662960 /nfs/dbraw/zinc/66/29/60/1024662960.db2.gz HDIVCOMQMVXLMH-GOSISDBHSA-N 2 0 301.478 3.609 20 0 DHADRP C[C@H](Cc1ccccc1Cl)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001170259139 1024716833 /nfs/dbraw/zinc/71/68/33/1024716833.db2.gz BMKKBLKWMSEARA-CYBMUJFWSA-N 2 0 313.832 3.995 20 0 DHADRP CC[C@@H]1C[C@@H]([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001170247735 1024722757 /nfs/dbraw/zinc/72/27/57/1024722757.db2.gz YACBFVAUWAOGLD-RBUKOAKNSA-N 2 0 308.510 3.673 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001170387221 1024761253 /nfs/dbraw/zinc/76/12/53/1024761253.db2.gz RTOJYCKXYFLXNT-RBUKOAKNSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]1[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000658354591 1024766393 /nfs/dbraw/zinc/76/63/93/1024766393.db2.gz DQVGKIOTWMSPMH-ORYQWCPZSA-N 2 0 312.501 3.890 20 0 DHADRP Cc1[nH+]ccc(NCc2cccc(C[NH+]3CCCC3)c2)c1Cl ZINC000350291643 1024802631 /nfs/dbraw/zinc/80/26/31/1024802631.db2.gz WDKQJGXCPBGYDR-UHFFFAOYSA-N 2 0 315.848 3.673 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000350320422 1024803666 /nfs/dbraw/zinc/80/36/66/1024803666.db2.gz QQLUPTCYXQYUHM-UHFFFAOYSA-N 2 0 324.852 3.534 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000319847511 1024833119 /nfs/dbraw/zinc/83/31/19/1024833119.db2.gz MYSAJCVFBGBTFA-FQEVSTJZSA-N 2 0 316.489 3.927 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000021513132 1024955111 /nfs/dbraw/zinc/95/51/11/1024955111.db2.gz ZVKKYZPLKTWNFU-CYBMUJFWSA-N 2 0 300.368 3.842 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(Cl)ccc1OC ZINC000163231669 1024982605 /nfs/dbraw/zinc/98/26/05/1024982605.db2.gz PREHBWLQPFDEIN-BBRMVZONSA-N 2 0 310.869 3.731 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2n1 ZINC000187347169 1024994648 /nfs/dbraw/zinc/99/46/48/1024994648.db2.gz IASWTAYPGNVUFM-HXUWFJFHSA-N 2 0 323.484 3.994 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2n1 ZINC000187371030 1025006050 /nfs/dbraw/zinc/00/60/50/1025006050.db2.gz JELCJCPURXBDSX-LJQANCHMSA-N 2 0 323.484 3.851 20 0 DHADRP C[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1cccnc1Cl ZINC000120881576 1025061058 /nfs/dbraw/zinc/06/10/58/1025061058.db2.gz UKWGWZRPPQBFSV-GFCCVEGCSA-N 2 0 321.827 3.787 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000166596825 1025077167 /nfs/dbraw/zinc/07/71/67/1025077167.db2.gz PZRQFDNWJBAFKF-HUUCEWRRSA-N 2 0 324.871 3.973 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353512007 1025095128 /nfs/dbraw/zinc/09/51/28/1025095128.db2.gz CGKGIOMFVWAGEH-XHSDSOJGSA-N 2 0 308.466 3.510 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000391357119 1025117051 /nfs/dbraw/zinc/11/70/51/1025117051.db2.gz AXVKMUDLIMMFSC-OALUTQOASA-N 2 0 316.489 3.828 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353546847 1025121623 /nfs/dbraw/zinc/12/16/23/1025121623.db2.gz WWUQLHSTLVHVRC-KZNAEPCWSA-N 2 0 322.493 3.651 20 0 DHADRP Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)CC2)cc[nH+]1 ZINC001172566824 1033260786 /nfs/dbraw/zinc/26/07/86/1033260786.db2.gz ZOXZUSCRBUVAQN-UXHICEINSA-N 2 0 321.468 3.848 20 0 DHADRP CCS[C@@H]1CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000353583532 1025142190 /nfs/dbraw/zinc/14/21/90/1025142190.db2.gz BQJVOTHACQATQE-GOSISDBHSA-N 2 0 315.486 3.980 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877182632 1033265604 /nfs/dbraw/zinc/26/56/04/1033265604.db2.gz PHBXDDZNFHRKEZ-UHFFFAOYSA-N 2 0 323.893 3.771 20 0 DHADRP c1coc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000353641010 1025172476 /nfs/dbraw/zinc/17/24/76/1025172476.db2.gz DSMRTRRYUAINIQ-UHFFFAOYSA-N 2 0 310.441 3.768 20 0 DHADRP Cc1ccncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000353659372 1025182312 /nfs/dbraw/zinc/18/23/12/1025182312.db2.gz RELSAGFUQDUNQC-SFHVURJKSA-N 2 0 315.505 3.867 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000925839427 1025195401 /nfs/dbraw/zinc/19/54/01/1025195401.db2.gz QZBVZFUVGWLDQH-CAOSSQGBSA-N 2 0 308.416 3.531 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(-c3ccncc3)c2)[C@@H](C)C1 ZINC000353745787 1025227136 /nfs/dbraw/zinc/22/71/36/1025227136.db2.gz AHUHXRPESIOOJQ-UWJYYQICSA-N 2 0 323.484 3.911 20 0 DHADRP Cc1[nH]c(C2CCN(c3cc[nH+]c4ccccc43)CC2)[nH+]c1C ZINC000884707964 1025231812 /nfs/dbraw/zinc/23/18/12/1025231812.db2.gz GXOZCUYGCQJMIN-UHFFFAOYSA-N 2 0 306.413 3.959 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261627933 1025301838 /nfs/dbraw/zinc/30/18/38/1025301838.db2.gz GWKPFYQRJYCFCP-HSALFYBXSA-N 2 0 323.484 3.678 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCC1 ZINC000353945797 1025302216 /nfs/dbraw/zinc/30/22/16/1025302216.db2.gz RSPFSXQHPXXNDZ-BBWFWOEESA-N 2 0 316.489 3.574 20 0 DHADRP CCC(CC)[C@@H](C[NH2+]CCCc1ccc(C)nc1)[NH+]1CCCC1 ZINC000353945136 1025303273 /nfs/dbraw/zinc/30/32/73/1025303273.db2.gz NNCCZNWGGGLCCV-HXUWFJFHSA-N 2 0 317.521 3.813 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000279892014 1025308361 /nfs/dbraw/zinc/30/83/61/1025308361.db2.gz ABLHUVSASQMSBJ-AFTVQHQSSA-N 2 0 304.453 3.780 20 0 DHADRP CC1CCC([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168206596 1025321759 /nfs/dbraw/zinc/32/17/59/1025321759.db2.gz WGAPFJYYWQSNQV-PSYANXERSA-N 2 0 301.478 3.732 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC[C@@H]2CCC[NH+]2C)CC1)CC(C)C ZINC000539098335 1033274358 /nfs/dbraw/zinc/27/43/58/1033274358.db2.gz GBPQSWYTUFNGOK-FQEVSTJZSA-N 3 0 323.569 3.551 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000124364955 1025335830 /nfs/dbraw/zinc/33/58/30/1025335830.db2.gz MJUMKVCHDUGLRD-QWHCGFSZSA-N 2 0 312.379 3.840 20 0 DHADRP c1ccc([C@H]2c3ccccc3CC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000261881845 1025352270 /nfs/dbraw/zinc/35/22/70/1025352270.db2.gz YQLKSQYTPIWZJO-NRFANRHFSA-N 2 0 306.453 3.634 20 0 DHADRP CCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093171 1025371242 /nfs/dbraw/zinc/37/12/42/1025371242.db2.gz XVDSBBPIQZAJQE-UHFFFAOYSA-N 2 0 318.358 3.809 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000438101390 1025372051 /nfs/dbraw/zinc/37/20/51/1025372051.db2.gz AWZWPIDFELCWAU-AABGKKOBSA-N 2 0 323.569 3.551 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000885915869 1025403946 /nfs/dbraw/zinc/40/39/46/1025403946.db2.gz HVBPSGMMZYWFCP-LJQANCHMSA-N 2 0 316.489 3.720 20 0 DHADRP CCC[N@@H+](Cc1ccc(F)cc1F)CC1CC[NH+](CC)CC1 ZINC001204850911 1025405245 /nfs/dbraw/zinc/40/52/45/1025405245.db2.gz FUFWTJXAFCVJOW-UHFFFAOYSA-N 2 0 310.432 3.909 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000925877730 1025412924 /nfs/dbraw/zinc/41/29/24/1025412924.db2.gz VWMGNCWSUIHOOW-UGFHNGPFSA-N 2 0 311.267 3.617 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000925879363 1025421354 /nfs/dbraw/zinc/42/13/54/1025421354.db2.gz BWLDJGVJHNTDDX-OSAQELSMSA-N 2 0 316.367 3.753 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000925881502 1025432902 /nfs/dbraw/zinc/43/29/02/1025432902.db2.gz BZLNONCXFTZZLV-OZVIIMIRSA-N 2 0 323.278 3.544 20 0 DHADRP COc1cc(CN(C)CCC[NH+]2CCCCC2)ccc1SC ZINC000125043902 1025453444 /nfs/dbraw/zinc/45/34/44/1025453444.db2.gz QLHLRTYWIUTICF-UHFFFAOYSA-N 2 0 322.518 3.725 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC1CC[NH+](C)CC1 ZINC000125318109 1025468296 /nfs/dbraw/zinc/46/82/96/1025468296.db2.gz CTKJIJVASFJNTD-SFHVURJKSA-N 2 0 302.462 3.530 20 0 DHADRP CC(C)(C)OCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000354718775 1025490436 /nfs/dbraw/zinc/49/04/36/1025490436.db2.gz UZZROUZYTYADPZ-AEFFLSMTSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCCO2 ZINC000125861389 1025494151 /nfs/dbraw/zinc/49/41/51/1025494151.db2.gz BGFCXFDOANIQSU-HKUYNNGSSA-N 2 0 316.489 3.919 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCCO2 ZINC000125861831 1025494781 /nfs/dbraw/zinc/49/47/81/1025494781.db2.gz BGFCXFDOANIQSU-MJGOQNOKSA-N 2 0 316.489 3.919 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000354837480 1025519984 /nfs/dbraw/zinc/51/99/84/1025519984.db2.gz OFWLLTKYRVPEID-AZUAARDMSA-N 2 0 318.505 3.646 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127047 1025520029 /nfs/dbraw/zinc/52/00/29/1025520029.db2.gz ACRYYAQMRREJQL-YQVWRLOYSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]([NH2+]CC1(C(F)F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348365991 1025523505 /nfs/dbraw/zinc/52/35/05/1025523505.db2.gz DVPBKLRCKOQDJH-GDBMZVCRSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172577818 1033290324 /nfs/dbraw/zinc/29/03/24/1033290324.db2.gz WKYKHGITXIIZRA-KGYLQXTDSA-N 2 0 316.823 3.799 20 0 DHADRP [NH3+]C1CCC([N@H+]([C@@H]2C[C@H]2c2ccccc2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167908582 1025589060 /nfs/dbraw/zinc/58/90/60/1025589060.db2.gz HPAOINNUTXCISK-UCEFGJTASA-N 2 0 310.485 3.913 20 0 DHADRP COc1cccc(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886504957 1025657167 /nfs/dbraw/zinc/65/71/67/1025657167.db2.gz ATGRDOMKQICVCO-UHFFFAOYSA-N 2 0 316.489 3.624 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000886508488 1025661342 /nfs/dbraw/zinc/66/13/42/1025661342.db2.gz BGEJUPPJNDIXOM-UHFFFAOYSA-N 2 0 310.429 3.626 20 0 DHADRP C[C@@H](O)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000886511073 1025663181 /nfs/dbraw/zinc/66/31/81/1025663181.db2.gz HRPZIFVUXXWHSD-PBPGXSGUSA-N 2 0 316.489 3.627 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886517680 1025671033 /nfs/dbraw/zinc/67/10/33/1025671033.db2.gz NECFRSDHIJGJFL-UHFFFAOYSA-N 3 0 321.553 3.638 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886525921 1025677853 /nfs/dbraw/zinc/67/78/53/1025677853.db2.gz AZGPHALEONZHJI-IMUUDWKMSA-N 2 0 305.466 3.739 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000049553286 1025713449 /nfs/dbraw/zinc/71/34/49/1025713449.db2.gz HVQAQYHBXZHBNT-IUODEOHRSA-N 2 0 313.283 3.830 20 0 DHADRP CCC(CC)(CC)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000359999885 1025734907 /nfs/dbraw/zinc/73/49/07/1025734907.db2.gz PQDIUYBZXGUMTG-UHFFFAOYSA-N 2 0 310.526 3.778 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000886632968 1025751523 /nfs/dbraw/zinc/75/15/23/1025751523.db2.gz KUEJRBOBQTXWHA-KAXARAQCSA-N 2 0 320.521 3.721 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCC23CCOCC3)CC1 ZINC000886646712 1025756570 /nfs/dbraw/zinc/75/65/70/1025756570.db2.gz RCSPZCYEWIBKTE-LMDPOFIKSA-N 2 0 320.521 3.580 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)C(C)(C)C ZINC000806140953 1025799554 /nfs/dbraw/zinc/79/95/54/1025799554.db2.gz OGRISHXPYIPDDZ-DZGCQCFKSA-N 2 0 309.885 3.678 20 0 DHADRP CS[C@H]1CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000134579629 1025813184 /nfs/dbraw/zinc/81/31/84/1025813184.db2.gz LTWUJITUZGVRBR-KRWDZBQOSA-N 2 0 301.459 3.590 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1F ZINC000262336917 1025836615 /nfs/dbraw/zinc/83/66/15/1025836615.db2.gz TUNVVJYKTCGJEA-YCPHGPKFSA-N 2 0 308.441 3.796 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000136601514 1025873719 /nfs/dbraw/zinc/87/37/19/1025873719.db2.gz UITKDPRQSRCCQM-JENIJYKNSA-N 2 0 309.457 3.643 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cc(C)ccc1OC ZINC000093403330 1025896465 /nfs/dbraw/zinc/89/64/65/1025896465.db2.gz KXLUTFNJNDHGLY-FUHWJXTLSA-N 2 0 304.478 3.776 20 0 DHADRP c1ccc2c(c1)n[nH]c2C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000729682488 1025928472 /nfs/dbraw/zinc/92/84/72/1025928472.db2.gz WCMSXYGALPQNFU-UHFFFAOYSA-N 2 0 314.477 3.699 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CCC2)cc1 ZINC000647786805 1026015978 /nfs/dbraw/zinc/01/59/78/1026015978.db2.gz YZOFTJBQAHEZJY-UKBAYJJMSA-N 2 0 302.437 3.645 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccccn1 ZINC000090775322 1026082919 /nfs/dbraw/zinc/08/29/19/1026082919.db2.gz OSARBJVFCVIBCR-AOCRQIFASA-N 2 0 301.478 3.775 20 0 DHADRP CC(CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000411824161 1026101614 /nfs/dbraw/zinc/10/16/14/1026101614.db2.gz QMXPMVFZUHZPPJ-MILMJNAHSA-N 2 0 304.522 3.959 20 0 DHADRP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000576166241 1026115913 /nfs/dbraw/zinc/11/59/13/1026115913.db2.gz KYYOLJIAZAIGRW-NRFANRHFSA-N 2 0 322.452 3.678 20 0 DHADRP C[N@H+](Cc1cccc(-c2cccnc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289706546 1026139110 /nfs/dbraw/zinc/13/91/10/1026139110.db2.gz OULZWQCXEYIBQU-WCRBZPEASA-N 2 0 321.468 3.806 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000289809712 1026183832 /nfs/dbraw/zinc/18/38/32/1026183832.db2.gz PIEDVQNEQXMNRY-CVEARBPZSA-N 2 0 320.477 3.564 20 0 DHADRP C[C@H]([NH2+][C@H]1CC12CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000429447657 1026186458 /nfs/dbraw/zinc/18/64/58/1026186458.db2.gz JXARPQCPTBZHBG-YJBOKZPZSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000429447656 1026187560 /nfs/dbraw/zinc/18/75/60/1026187560.db2.gz JXARPQCPTBZHBG-QAPCUYQASA-N 2 0 302.462 3.610 20 0 DHADRP CS[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245745610 1026192640 /nfs/dbraw/zinc/19/26/40/1026192640.db2.gz SLILWPAHBWRURR-DDBAPUKQSA-N 2 0 304.503 3.523 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261747626 1026245890 /nfs/dbraw/zinc/24/58/90/1026245890.db2.gz BYNOWFUWOMPNJM-OCCSQVGLSA-N 2 0 300.368 3.573 20 0 DHADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167925599 1026280787 /nfs/dbraw/zinc/28/07/87/1026280787.db2.gz CQNNRMNQSAIFTD-SFNKJDCFSA-N 2 0 314.473 3.755 20 0 DHADRP CC(C)(C)c1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204734690 1026430248 /nfs/dbraw/zinc/43/02/48/1026430248.db2.gz BNDYBRSCDGPUFT-UHFFFAOYSA-N 2 0 300.490 3.950 20 0 DHADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167942075 1026449626 /nfs/dbraw/zinc/44/96/26/1026449626.db2.gz YMOBZOJQTKHIST-VIMRIIAXSA-N 2 0 310.485 3.895 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000513544654 1026537267 /nfs/dbraw/zinc/53/72/67/1026537267.db2.gz KUKLODFHEIUWMK-NZHZHZHDSA-N 2 0 324.896 3.690 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000513678116 1026557504 /nfs/dbraw/zinc/55/75/04/1026557504.db2.gz IELJSYWITGFENB-OAGGEKHMSA-N 2 0 324.415 3.559 20 0 DHADRP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc(Cl)n1 ZINC000809738607 1026609036 /nfs/dbraw/zinc/60/90/36/1026609036.db2.gz BJCHCTKQHYUOEO-UHFFFAOYSA-N 2 0 317.864 3.737 20 0 DHADRP Cc1ccncc1CCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738980 1026610730 /nfs/dbraw/zinc/61/07/30/1026610730.db2.gz RPSOUKRKIBRYRA-UHFFFAOYSA-N 2 0 311.473 3.516 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccnc3ccccc23)cc1 ZINC000809738811 1026611537 /nfs/dbraw/zinc/61/15/37/1026611537.db2.gz KVGLOVABXQADGR-UHFFFAOYSA-N 2 0 319.452 3.928 20 0 DHADRP C[C@@H]1C[C@]1([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000419722053 1026761454 /nfs/dbraw/zinc/76/14/54/1026761454.db2.gz DBOZAPWYJXXTJJ-NKGKWGDASA-N 2 0 304.865 3.792 20 0 DHADRP Cc1nc([C@@H](C)N2CC[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420293923 1026794682 /nfs/dbraw/zinc/79/46/82/1026794682.db2.gz NTFXXCCWOAODJU-CHWSQXEVSA-N 2 0 319.836 3.645 20 0 DHADRP c1ccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000420296342 1026796066 /nfs/dbraw/zinc/79/60/66/1026796066.db2.gz BMEWTYUHJBBTMK-LAUBAEHRSA-N 2 0 306.453 3.634 20 0 DHADRP COc1ccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000420296895 1026796739 /nfs/dbraw/zinc/79/67/39/1026796739.db2.gz CLPQYHKEBDBRGV-DLBZAZTESA-N 2 0 316.489 3.685 20 0 DHADRP c1ccc(C[N@@H+](CCCC2CCCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420312704 1026799022 /nfs/dbraw/zinc/79/90/22/1026799022.db2.gz OTYNLMNEYDTYKD-FQEVSTJZSA-N 2 0 315.505 3.996 20 0 DHADRP CC(C)c1csc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420310222 1026801273 /nfs/dbraw/zinc/80/12/73/1026801273.db2.gz FPVTZNISPYFSRE-HZPDHXFCSA-N 2 0 321.534 3.836 20 0 DHADRP Fc1cccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000420311910 1026801733 /nfs/dbraw/zinc/80/17/33/1026801733.db2.gz WHAYLFZUPQROEO-KRWDZBQOSA-N 2 0 304.453 3.612 20 0 DHADRP COc1ccccc1-c1ccc(C[N@H+](CCC[NH3+])C(C)C)cc1 ZINC000420306578 1026801775 /nfs/dbraw/zinc/80/17/75/1026801775.db2.gz QLGOEFHSXMUVKQ-UHFFFAOYSA-N 2 0 312.457 3.921 20 0 DHADRP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420345489 1026804498 /nfs/dbraw/zinc/80/44/98/1026804498.db2.gz ZOEVFKZWKZFGGV-RVHYNSKXSA-N 2 0 324.468 3.729 20 0 DHADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000420366462 1026809828 /nfs/dbraw/zinc/80/98/28/1026809828.db2.gz FWGYMENIJIAPIW-PKOBYXMFSA-N 2 0 315.505 3.807 20 0 DHADRP C[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420906774 1026875197 /nfs/dbraw/zinc/87/51/97/1026875197.db2.gz SWHVOXMBJSYQKL-SFHVURJKSA-N 2 0 324.468 3.712 20 0 DHADRP Cc1nccn1CCC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000420933989 1026880869 /nfs/dbraw/zinc/88/08/69/1026880869.db2.gz WOUNZKMPIRWNPI-LJQANCHMSA-N 2 0 315.436 3.818 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000421371144 1026967060 /nfs/dbraw/zinc/96/70/60/1026967060.db2.gz KDDMKHUGGKUJNR-PCODVIEZSA-N 2 0 300.490 3.959 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000421373273 1026968329 /nfs/dbraw/zinc/96/83/29/1026968329.db2.gz NJZGBZHKHVPMJK-UHFFFAOYSA-N 2 0 316.489 3.881 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000421380163 1026972251 /nfs/dbraw/zinc/97/22/51/1026972251.db2.gz LVCQQCYJHOWZMG-WIYYLYMNSA-N 2 0 323.484 3.699 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(F)c1 ZINC000421820247 1027067004 /nfs/dbraw/zinc/06/70/04/1027067004.db2.gz LNKKPDLSYLWSQS-KUHUBIRLSA-N 2 0 320.452 3.605 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421893751 1027083236 /nfs/dbraw/zinc/08/32/36/1027083236.db2.gz ZWOCFOGDWUDTAA-BOJQUEFTSA-N 2 0 316.489 3.650 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)Cc2c[nH]nc21 ZINC000931463383 1027133905 /nfs/dbraw/zinc/13/39/05/1027133905.db2.gz VEELZQKBKVAMJJ-MRXNPFEDSA-N 2 0 324.472 3.515 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000271756136 1027137044 /nfs/dbraw/zinc/13/70/44/1027137044.db2.gz DOOYTABOTLZYEG-MISYRCLQSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)c1cccc(Cl)c1 ZINC000561982344 1027157835 /nfs/dbraw/zinc/15/78/35/1027157835.db2.gz MNCHLBZWUNTZKZ-HFTRVMKXSA-N 2 0 306.881 3.860 20 0 DHADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659743 1027175355 /nfs/dbraw/zinc/17/53/55/1027175355.db2.gz RKCLWEYLJWAHKJ-INIZCTEOSA-N 2 0 310.432 3.534 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000562023512 1027186084 /nfs/dbraw/zinc/18/60/84/1027186084.db2.gz IYINABVKAKYIRK-SJORKVTESA-N 2 0 304.478 3.541 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170665519 1027191071 /nfs/dbraw/zinc/19/10/71/1027191071.db2.gz MHGIJZAUNQLKMZ-QGZVFWFLSA-N 2 0 322.443 3.532 20 0 DHADRP C[C@@H]1C[C@H](C)N(Cc2nc(-c3ccccc3)cs2)C[C@H]1C[NH3+] ZINC000422565173 1027287282 /nfs/dbraw/zinc/28/72/82/1027287282.db2.gz XWYRCMYMPVJURH-IJEWVQPXSA-N 2 0 315.486 3.615 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422703028 1027297240 /nfs/dbraw/zinc/29/72/40/1027297240.db2.gz GQDAWUGTUXMVHB-GUDVDZBRSA-N 2 0 300.490 3.783 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422730517 1027298697 /nfs/dbraw/zinc/29/86/97/1027298697.db2.gz JXSCNSGZSFYAEB-SJORKVTESA-N 2 0 317.521 3.667 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000573512147 1027300866 /nfs/dbraw/zinc/30/08/66/1027300866.db2.gz SGZVZUMJQVAESL-ZCNNSNEGSA-N 2 0 316.489 3.746 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCn1ccc2ccccc21 ZINC000422758617 1027306102 /nfs/dbraw/zinc/30/61/02/1027306102.db2.gz KMOHRJITKDXIKX-FXAWDEMLSA-N 2 0 321.468 3.580 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000422758373 1027307202 /nfs/dbraw/zinc/30/72/02/1027307202.db2.gz JKANJUWYRPAPHN-IEBWSBKVSA-N 2 0 309.388 3.584 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422725978 1027307899 /nfs/dbraw/zinc/30/78/99/1027307899.db2.gz CWUZJVYGCRMMTQ-NHYWBVRUSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422759550 1027308382 /nfs/dbraw/zinc/30/83/82/1027308382.db2.gz PMTLBQYRSNHOLH-DYESRHJHSA-N 2 0 308.469 3.796 20 0 DHADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422742603 1027308837 /nfs/dbraw/zinc/30/88/37/1027308837.db2.gz RWMNMFVWLXQGHH-IPMKNSEASA-N 2 0 316.489 3.732 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000422752086 1027308906 /nfs/dbraw/zinc/30/89/06/1027308906.db2.gz GVZSCSMJORSNTR-UXLLHSPISA-N 2 0 320.477 3.523 20 0 DHADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(OC)cc1 ZINC000422769814 1027313785 /nfs/dbraw/zinc/31/37/85/1027313785.db2.gz UBRVIBPUMDXMGD-KUHUBIRLSA-N 2 0 313.445 3.659 20 0 DHADRP CC1(C)CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422785193 1027317260 /nfs/dbraw/zinc/31/72/60/1027317260.db2.gz PERMYLIZVRKUSC-XLIONFOSSA-N 2 0 314.473 3.801 20 0 DHADRP CC(C)(C)CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000573711569 1027320204 /nfs/dbraw/zinc/32/02/04/1027320204.db2.gz MDLJLPOVOMYTFG-QFBILLFUSA-N 2 0 302.462 3.658 20 0 DHADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422784111 1027319923 /nfs/dbraw/zinc/31/99/23/1027319923.db2.gz IBMPHMLPCYKZNN-FCGDIQPGSA-N 2 0 316.489 3.663 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422796514 1027322547 /nfs/dbraw/zinc/32/25/47/1027322547.db2.gz JTYBYQZEMUSDPD-VQTKTOELSA-N 2 0 302.368 3.803 20 0 DHADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422795370 1027324263 /nfs/dbraw/zinc/32/42/63/1027324263.db2.gz VJRRFNJOBQLXFA-VBSBHUPXSA-N 2 0 316.489 3.663 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784601 1027324344 /nfs/dbraw/zinc/32/43/44/1027324344.db2.gz PXRGUGFTFMHDNK-NSHDSACASA-N 2 0 323.362 3.718 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422761598 1027324962 /nfs/dbraw/zinc/32/49/62/1027324962.db2.gz MZITZWXTCNCDOS-ROUUACIJSA-N 2 0 300.471 3.542 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(c2ccccc2)CCC1 ZINC000422811135 1027331662 /nfs/dbraw/zinc/33/16/62/1027331662.db2.gz ONNMRXGBZLUIIW-FXAWDEMLSA-N 2 0 308.469 3.656 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000422828808 1027333442 /nfs/dbraw/zinc/33/34/42/1027333442.db2.gz BJDGJQSTKQQKRG-MNOVXSKESA-N 2 0 303.277 3.986 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422831744 1027333921 /nfs/dbraw/zinc/33/39/21/1027333921.db2.gz UCTXOHBZECBJHX-SFHVURJKSA-N 3 0 317.521 3.670 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000422840048 1027338857 /nfs/dbraw/zinc/33/88/57/1027338857.db2.gz SACBFVRJIZLLNX-LLVKDONJSA-N 2 0 303.277 3.988 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422878155 1027346262 /nfs/dbraw/zinc/34/62/62/1027346262.db2.gz SODJJZTWIZRBRM-GUDVDZBRSA-N 2 0 316.489 3.793 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422881448 1027346444 /nfs/dbraw/zinc/34/64/44/1027346444.db2.gz NPWIAYUDEBJARI-UAFMIMERSA-N 3 0 321.553 3.541 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422881447 1027347058 /nfs/dbraw/zinc/34/70/58/1027347058.db2.gz NPWIAYUDEBJARI-IYWMVGAKSA-N 3 0 321.553 3.541 20 0 DHADRP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841713 1027347386 /nfs/dbraw/zinc/34/73/86/1027347386.db2.gz WRMGXMSTJMVYSA-OCCSQVGLSA-N 2 0 318.383 3.580 20 0 DHADRP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422843619 1027347438 /nfs/dbraw/zinc/34/74/38/1027347438.db2.gz IYUYKQXDYAGYLR-DXEWXGHRSA-N 2 0 320.477 3.873 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1OC1CCCC1 ZINC000422877682 1027347926 /nfs/dbraw/zinc/34/79/26/1027347926.db2.gz INKQWJAAFAZEEC-LSDHHAIUSA-N 2 0 320.477 3.795 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422867389 1027348262 /nfs/dbraw/zinc/34/82/62/1027348262.db2.gz SBSTWXOWNUAJJE-IRXDYDNUSA-N 2 0 312.457 3.619 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422889038 1027349623 /nfs/dbraw/zinc/34/96/23/1027349623.db2.gz OQSZIWRBPJHERI-HZMBPMFUSA-N 2 0 301.261 3.512 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422888037 1027351749 /nfs/dbraw/zinc/35/17/49/1027351749.db2.gz ZTSRRMMSCOFFKP-CEXWTWQISA-N 3 0 309.542 3.541 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422873467 1027353829 /nfs/dbraw/zinc/35/38/29/1027353829.db2.gz ALJCAQSYPIBLHK-ZWKOTPCHSA-N 3 0 317.521 3.526 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422913936 1027359397 /nfs/dbraw/zinc/35/93/97/1027359397.db2.gz ZNPWPETXLNCMBQ-RYUDHWBXSA-N 2 0 302.384 3.698 20 0 DHADRP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C)C1C[NH2+]C1 ZINC000422922825 1027363216 /nfs/dbraw/zinc/36/32/16/1027363216.db2.gz QUPLNMKRMZKFJB-ABAIWWIYSA-N 2 0 314.395 3.990 20 0 DHADRP C[C@@H]([NH2+][C@H](CCCc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422931016 1027366270 /nfs/dbraw/zinc/36/62/70/1027366270.db2.gz WNNCQZFTMFTIEZ-DYESRHJHSA-N 2 0 308.469 3.948 20 0 DHADRP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422940640 1027367575 /nfs/dbraw/zinc/36/75/75/1027367575.db2.gz HIMUXEUCYZZBJQ-MOPGFXCFSA-N 2 0 310.441 3.707 20 0 DHADRP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cc(F)cc(F)c1 ZINC000295639513 1027368904 /nfs/dbraw/zinc/36/89/04/1027368904.db2.gz IAZYJYADHASAFQ-ZBHOBAHQSA-N 2 0 308.416 3.673 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnoc2C2CC2)C1 ZINC000362752283 1027369861 /nfs/dbraw/zinc/36/98/61/1027369861.db2.gz FNHRMLCUTLZQSK-HZPDHXFCSA-N 2 0 317.477 3.638 20 0 DHADRP COc1ccc(C2([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000422939835 1027370268 /nfs/dbraw/zinc/37/02/68/1027370268.db2.gz SABWPPPWRSGSGC-NVXWUHKLSA-N 2 0 302.462 3.585 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422948251 1027377135 /nfs/dbraw/zinc/37/71/35/1027377135.db2.gz QZTYDJSKGVYVAE-KBPBESRZSA-N 2 0 301.261 3.786 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OCC(C)C ZINC000422945344 1027377368 /nfs/dbraw/zinc/37/73/68/1027377368.db2.gz UEFABTVUUGOJDL-KKUMJFAQSA-N 2 0 308.466 3.506 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422955590 1027378823 /nfs/dbraw/zinc/37/88/23/1027378823.db2.gz JQTWAKOLYNYCLD-OALUTQOASA-N 2 0 310.441 3.923 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000422993579 1027381632 /nfs/dbraw/zinc/38/16/32/1027381632.db2.gz RPCIQLQWRRPLLR-MOPGFXCFSA-N 2 0 310.416 3.883 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000423000456 1027386289 /nfs/dbraw/zinc/38/62/89/1027386289.db2.gz ZGQABPQXANXDKX-RSPOEFSDSA-N 2 0 316.489 3.665 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422981478 1027387414 /nfs/dbraw/zinc/38/74/14/1027387414.db2.gz OHXMTGXDWKRVJZ-DFQSSKMNSA-N 2 0 316.489 3.578 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000423011939 1027388931 /nfs/dbraw/zinc/38/89/31/1027388931.db2.gz JQZLOKLDMQDAPW-GOSISDBHSA-N 2 0 320.521 3.605 20 0 DHADRP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423020464 1027393201 /nfs/dbraw/zinc/39/32/01/1027393201.db2.gz BOJACNCSOMAFGY-NEPJUHHUSA-N 2 0 300.368 3.539 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423022237 1027393584 /nfs/dbraw/zinc/39/35/84/1027393584.db2.gz HEZDOZPRUFEIQY-LRDDRELGSA-N 2 0 310.844 3.618 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])CCC2 ZINC000423027651 1027396833 /nfs/dbraw/zinc/39/68/33/1027396833.db2.gz RSDDOMPFJYQLNH-WEFJBSGNSA-N 2 0 316.489 3.529 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423024792 1027398320 /nfs/dbraw/zinc/39/83/20/1027398320.db2.gz MPDIJIPIGFVWDR-UPJWGTAASA-N 2 0 302.384 3.914 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000157933746 1027399257 /nfs/dbraw/zinc/39/92/57/1027399257.db2.gz XLDXKOVEKFXUDS-CABCVRRESA-N 2 0 309.885 3.898 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]1C ZINC000423040919 1027401149 /nfs/dbraw/zinc/40/11/49/1027401149.db2.gz VIBFFMKNKWQGIX-NWUOFUOCSA-N 2 0 314.473 3.657 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423054616 1027403912 /nfs/dbraw/zinc/40/39/12/1027403912.db2.gz BXHOUZHLOWEJQD-GBESFXJTSA-N 2 0 318.530 3.950 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423055729 1027404023 /nfs/dbraw/zinc/40/40/23/1027404023.db2.gz WYCVOCYJEABKOB-GJZGRUSLSA-N 2 0 300.446 3.842 20 0 DHADRP CCSc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000423067319 1027404367 /nfs/dbraw/zinc/40/43/67/1027404367.db2.gz YXVJEGVGRIWGAH-IXDOHACOSA-N 2 0 319.518 3.594 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)c2ccccc21 ZINC000423064983 1027404814 /nfs/dbraw/zinc/40/48/14/1027404814.db2.gz ALWHABSODRWVSD-CVEARBPZSA-N 2 0 318.367 3.565 20 0 DHADRP c1cnc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000423084793 1027409753 /nfs/dbraw/zinc/40/97/53/1027409753.db2.gz IXZMWMJLAJIIRG-YSIASYRMSA-N 2 0 309.457 3.635 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423083259 1027410473 /nfs/dbraw/zinc/41/04/73/1027410473.db2.gz YMDGNCPVBLLMEK-AWEZNQCLSA-N 2 0 309.457 3.967 20 0 DHADRP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423079770 1027412324 /nfs/dbraw/zinc/41/23/24/1027412324.db2.gz AVCIHBMBUOPNEN-IYWMVGAKSA-N 2 0 316.489 3.665 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423099846 1027417041 /nfs/dbraw/zinc/41/70/41/1027417041.db2.gz MOCHNDYIXCHAHO-FZQMEJGWSA-N 2 0 308.469 3.655 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423128334 1027421876 /nfs/dbraw/zinc/42/18/76/1027421876.db2.gz VRYBLYAREPLQCN-MDNKFWRPSA-N 2 0 316.489 3.807 20 0 DHADRP CSc1cccc(F)c1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423107345 1027425665 /nfs/dbraw/zinc/42/56/65/1027425665.db2.gz PSCHJNVKTCTREC-IAOVAPTHSA-N 2 0 322.493 3.948 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423111591 1027427277 /nfs/dbraw/zinc/42/72/77/1027427277.db2.gz QQNLZRNOLKHCKT-GPMSIDNRSA-N 2 0 304.478 3.555 20 0 DHADRP COCC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423113777 1027428940 /nfs/dbraw/zinc/42/89/40/1027428940.db2.gz ZBDFNXUDZYBVDI-IAQYHMDHSA-N 2 0 319.276 3.788 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423113312 1027429285 /nfs/dbraw/zinc/42/92/85/1027429285.db2.gz TYTNSPKGTNRLNN-ZDUSSCGKSA-N 2 0 315.486 3.563 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCCCc2ccc(Cl)s2)CC1 ZINC000423111137 1027429521 /nfs/dbraw/zinc/42/95/21/1027429521.db2.gz VXLSNHPQABKGRE-UHFFFAOYSA-N 2 0 300.899 3.831 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423148330 1027432191 /nfs/dbraw/zinc/43/21/91/1027432191.db2.gz VDJXGYFMBBAXDE-BFUOFWGJSA-N 2 0 313.420 3.716 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)C2)c1 ZINC000423153226 1027432663 /nfs/dbraw/zinc/43/26/63/1027432663.db2.gz GZJVRADNTWQWOM-IONDEXAJSA-N 2 0 308.425 3.676 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)CC2)c(C)c1 ZINC000423142324 1027434512 /nfs/dbraw/zinc/43/45/12/1027434512.db2.gz AADDOJOQGLBKTJ-MRXNPFEDSA-N 2 0 323.484 3.848 20 0 DHADRP Clc1ccc([C@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423174404 1027441998 /nfs/dbraw/zinc/44/19/98/1027441998.db2.gz CASSUBINKNNABQ-IMLUKAASSA-N 2 0 304.865 3.849 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423210919 1027445821 /nfs/dbraw/zinc/44/58/21/1027445821.db2.gz GRXSZQQSQBFSTN-RGDOYBHPSA-N 2 0 316.489 3.822 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000423189778 1027448329 /nfs/dbraw/zinc/44/83/29/1027448329.db2.gz RONZLNHPTMBURO-CJNGLKHVSA-N 2 0 312.379 3.683 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423212911 1027453069 /nfs/dbraw/zinc/45/30/69/1027453069.db2.gz JELYDCHZSHHTEK-DOXZYTNZSA-N 2 0 311.473 3.831 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423202261 1027456213 /nfs/dbraw/zinc/45/62/13/1027456213.db2.gz QMMBCFKSSXUVEI-HUUCEWRRSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423240605 1027459775 /nfs/dbraw/zinc/45/97/75/1027459775.db2.gz KSPXCLIHZDCONF-WBMJQRKESA-N 2 0 306.356 3.639 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423226553 1027465461 /nfs/dbraw/zinc/46/54/61/1027465461.db2.gz RDXZTJLGBBOJBD-GLQYFDAESA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423223259 1027465740 /nfs/dbraw/zinc/46/57/40/1027465740.db2.gz FQRNYODDWLWQCC-FZMZJTMJSA-N 2 0 319.449 3.654 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000423252022 1027475001 /nfs/dbraw/zinc/47/50/01/1027475001.db2.gz SVPKHTJUNHELKO-HZPDHXFCSA-N 2 0 320.477 3.524 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000423253260 1027475280 /nfs/dbraw/zinc/47/52/80/1027475280.db2.gz VPXIVAZOWOHUMB-CVEARBPZSA-N 2 0 324.896 3.785 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423246833 1027475748 /nfs/dbraw/zinc/47/57/48/1027475748.db2.gz KIDXWPYSHWYBDL-MSOLQXFVSA-N 2 0 324.468 3.916 20 0 DHADRP c1ccc(CC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423250642 1027476221 /nfs/dbraw/zinc/47/62/21/1027476221.db2.gz QNZJRHFSFDEXTH-PZJWPPBQSA-N 2 0 308.469 3.950 20 0 DHADRP CC(C)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423249303 1027476313 /nfs/dbraw/zinc/47/63/13/1027476313.db2.gz OPEUGPSWAMFZBY-BBRMVZONSA-N 2 0 314.395 3.992 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423252888 1027479585 /nfs/dbraw/zinc/47/95/85/1027479585.db2.gz VCAKKPAWBDFCMX-BQFCYCMXSA-N 2 0 306.881 3.640 20 0 DHADRP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(OC(F)F)cc1 ZINC000423286760 1027482199 /nfs/dbraw/zinc/48/21/99/1027482199.db2.gz IOAFWYXMBYIXSY-AWEZNQCLSA-N 2 0 300.393 3.846 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000423292010 1027485892 /nfs/dbraw/zinc/48/58/92/1027485892.db2.gz KXZLGDRHVIBVJU-UGSOOPFHSA-N 2 0 314.404 3.849 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)cc1N(C)C ZINC000423290703 1027486956 /nfs/dbraw/zinc/48/69/56/1027486956.db2.gz FCFZJGOAUPBDDK-UONOGXRCSA-N 2 0 315.436 3.762 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423273033 1027489579 /nfs/dbraw/zinc/48/95/79/1027489579.db2.gz KFBFNXQOZRWXIV-UHIISALHSA-N 2 0 319.276 3.722 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000423281589 1027494240 /nfs/dbraw/zinc/49/42/40/1027494240.db2.gz VUPVUSTXWABNPN-YOEHRIQHSA-N 2 0 302.487 3.785 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]CC2([NH3+])CCC2)ccc1Cl ZINC000423315014 1027497233 /nfs/dbraw/zinc/49/72/33/1027497233.db2.gz ADRRTABYFNLSDQ-AWEZNQCLSA-N 2 0 310.869 3.667 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310384 1027497438 /nfs/dbraw/zinc/49/74/38/1027497438.db2.gz AEVXOIHCLWRJJU-CABCVRRESA-N 2 0 300.368 3.729 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1Cl ZINC000423310692 1027497522 /nfs/dbraw/zinc/49/75/22/1027497522.db2.gz ASIXSALUUUCRGM-GUYCJALGSA-N 2 0 310.869 3.523 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCCC[NH3+])c2cc(Br)ccc21 ZINC000423319429 1027499873 /nfs/dbraw/zinc/49/98/73/1027499873.db2.gz FGJZEWJATVONHK-AWEZNQCLSA-N 2 0 311.267 3.500 20 0 DHADRP Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]CC2C[NH2+]C2)cs1 ZINC000423318418 1027500594 /nfs/dbraw/zinc/50/05/94/1027500594.db2.gz LAOIIJAOCRNJMO-KRWDZBQOSA-N 2 0 320.889 3.803 20 0 DHADRP COc1ncc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000423295721 1027502590 /nfs/dbraw/zinc/50/25/90/1027502590.db2.gz XJRQVUVSFUNDEG-NWDGAFQWSA-N 2 0 319.836 3.614 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000423296752 1027503190 /nfs/dbraw/zinc/50/31/90/1027503190.db2.gz ZQYGKLDNEZTFKF-MEBBXXQBSA-N 2 0 320.358 3.901 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423297820 1027503210 /nfs/dbraw/zinc/50/32/10/1027503210.db2.gz LZXMSDWGGDGBGP-GJZGRUSLSA-N 2 0 316.420 3.650 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303852 1027506420 /nfs/dbraw/zinc/50/64/20/1027506420.db2.gz MRIQRCSRXBXDHH-HZPDHXFCSA-N 2 0 312.379 3.541 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423345946 1027507529 /nfs/dbraw/zinc/50/75/29/1027507529.db2.gz OQPKRPRNKGHHSF-PMACEKPBSA-N 2 0 314.473 3.619 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423345424 1027508154 /nfs/dbraw/zinc/50/81/54/1027508154.db2.gz OBALKKNJHPRDOG-MRXNPFEDSA-N 2 0 310.363 3.666 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)c(C)c2c1 ZINC000423324651 1027509004 /nfs/dbraw/zinc/50/90/04/1027509004.db2.gz IUOXZZGLHXKDDR-KUHUBIRLSA-N 2 0 316.445 3.790 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)ccc2c1 ZINC000423331450 1027511977 /nfs/dbraw/zinc/51/19/77/1027511977.db2.gz OKNHRZOMNLIJEA-QRWLVFNGSA-N 2 0 312.457 3.889 20 0 DHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000423341757 1027515292 /nfs/dbraw/zinc/51/52/92/1027515292.db2.gz KGLRPIXACKPZFQ-KRWDZBQOSA-N 2 0 306.453 3.716 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCCS2 ZINC000423351990 1027516528 /nfs/dbraw/zinc/51/65/28/1027516528.db2.gz ZWYCGCPKESZHIE-FUHWJXTLSA-N 2 0 320.502 3.602 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423350613 1027517722 /nfs/dbraw/zinc/51/77/22/1027517722.db2.gz ZXFWGESXIOSWQF-IBGZPJMESA-N 2 0 302.462 3.682 20 0 DHADRP Brc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423355732 1027519984 /nfs/dbraw/zinc/51/99/84/1027519984.db2.gz FZZNUWAIRBDMQP-HZPDHXFCSA-N 2 0 323.278 3.632 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423361368 1027521473 /nfs/dbraw/zinc/52/14/73/1027521473.db2.gz AFPICYDSQPQYKC-YSGRDPCXSA-N 2 0 312.432 3.697 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c(C)c2c1 ZINC000423363704 1027521676 /nfs/dbraw/zinc/52/16/76/1027521676.db2.gz AFCPFKAUKBEUAO-MELADBBJSA-N 2 0 302.418 3.670 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC[NH2+]1 ZINC000423365948 1027523836 /nfs/dbraw/zinc/52/38/36/1027523836.db2.gz CHXBIOXGRQEPFX-LYRGGWFBSA-N 2 0 323.278 3.630 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC[NH2+]1 ZINC000423365947 1027524710 /nfs/dbraw/zinc/52/47/10/1027524710.db2.gz CHXBIOXGRQEPFX-HFBAOOFYSA-N 2 0 323.278 3.630 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423377800 1027526488 /nfs/dbraw/zinc/52/64/88/1027526488.db2.gz KJSFJLKKTDVVLF-OAGGEKHMSA-N 2 0 313.489 3.954 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423382673 1027528353 /nfs/dbraw/zinc/52/83/53/1027528353.db2.gz DSZOKBNHGGMSES-SZMVWBNQSA-N 2 0 314.498 3.928 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423392679 1027531606 /nfs/dbraw/zinc/53/16/06/1027531606.db2.gz LPYUNTQKSUNPRH-LZQZEXGQSA-N 2 0 304.478 3.760 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423394780 1027533111 /nfs/dbraw/zinc/53/31/11/1027533111.db2.gz SIRIPJNGZXZAQF-AYBZRNKSSA-N 2 0 304.478 3.903 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)oc21 ZINC000423419416 1027536910 /nfs/dbraw/zinc/53/69/10/1027536910.db2.gz IRTNNXLSHFBMSE-KKUMJFAQSA-N 2 0 316.445 3.857 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(Br)c1 ZINC000423401279 1027538272 /nfs/dbraw/zinc/53/82/72/1027538272.db2.gz XCPKAKBCHREGGE-UGFHNGPFSA-N 2 0 311.267 3.630 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(Br)c1 ZINC000423401277 1027538629 /nfs/dbraw/zinc/53/86/29/1027538629.db2.gz XCPKAKBCHREGGE-GLQYFDAESA-N 2 0 311.267 3.630 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423404194 1027538733 /nfs/dbraw/zinc/53/87/33/1027538733.db2.gz ZAISQAQYLRULDF-NWANDNLSSA-N 2 0 312.910 3.941 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000423408372 1027540370 /nfs/dbraw/zinc/54/03/70/1027540370.db2.gz XIUZVTJMGFOBBR-QMMLZNLJSA-N 2 0 308.469 3.948 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000363158791 1027540736 /nfs/dbraw/zinc/54/07/36/1027540736.db2.gz FLANYHRZFGVSKN-GOSISDBHSA-N 2 0 315.486 3.762 20 0 DHADRP COCC1(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC[NH2+]CC1 ZINC000423411904 1027540557 /nfs/dbraw/zinc/54/05/57/1027540557.db2.gz VTMPYYDGXKLBER-SFHVURJKSA-N 2 0 318.505 3.770 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423451970 1027547140 /nfs/dbraw/zinc/54/71/40/1027547140.db2.gz JBYRZKBSUMEEBH-HUUCEWRRSA-N 2 0 301.478 3.941 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1-c1cccc(Cl)c1 ZINC000423464993 1027555434 /nfs/dbraw/zinc/55/54/34/1027555434.db2.gz WHZGXUDFCNKASX-OLZOCXBDSA-N 2 0 320.868 3.612 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(OCC=C(C)C)cc1 ZINC000423465104 1027555444 /nfs/dbraw/zinc/55/54/44/1027555444.db2.gz MMNUXZKWWCZBBY-AEFFLSMTSA-N 2 0 304.478 3.680 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)cc1 ZINC000423461510 1027555992 /nfs/dbraw/zinc/55/59/92/1027555992.db2.gz CNHXEPOLEAHUSG-NBHGPNQESA-N 2 0 324.468 3.892 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000423475251 1027561665 /nfs/dbraw/zinc/56/16/65/1027561665.db2.gz ZXUDBSZIYFUTBI-INWMFGNUSA-N 2 0 312.404 3.846 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000423480323 1027563475 /nfs/dbraw/zinc/56/34/75/1027563475.db2.gz VPLWALGWDARGMX-XHBSWPGZSA-N 2 0 323.278 3.544 20 0 DHADRP CCc1ccccc1[C@H](N)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423505251 1027566123 /nfs/dbraw/zinc/56/61/23/1027566123.db2.gz OEMAYADGGNQQBE-OXQOHEQNSA-N 2 0 311.473 3.645 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000423503338 1027567161 /nfs/dbraw/zinc/56/71/61/1027567161.db2.gz KODPMZDRMIDUSX-WQGACYEGSA-N 2 0 323.278 3.544 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423506228 1027567194 /nfs/dbraw/zinc/56/71/94/1027567194.db2.gz OYBRWORGCPTKIV-SFHVURJKSA-N 2 0 323.569 3.773 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423485254 1027569795 /nfs/dbraw/zinc/56/97/95/1027569795.db2.gz AWPCWZMQZUROJC-LZLYRXPVSA-N 2 0 304.478 3.890 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)c2cccc(Br)c21 ZINC000423494189 1027574567 /nfs/dbraw/zinc/57/45/67/1027574567.db2.gz RXDSASBTPLSAAF-ZAZJYDDPSA-N 2 0 323.278 3.714 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423512701 1027577214 /nfs/dbraw/zinc/57/72/14/1027577214.db2.gz QXRNPXMTEQQPQW-LNSITVRQSA-N 2 0 316.367 3.753 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000423558352 1027579329 /nfs/dbraw/zinc/57/93/29/1027579329.db2.gz SILIKWFQYSVQFV-FAJBIJEISA-N 2 0 318.892 3.639 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423540277 1027583424 /nfs/dbraw/zinc/58/34/24/1027583424.db2.gz JNJCPFAZWXMDJJ-MBZOWXSBSA-N 2 0 318.892 3.954 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423538557 1027584364 /nfs/dbraw/zinc/58/43/64/1027584364.db2.gz NBWHKONVHDCDOC-ROUUACIJSA-N 2 0 304.865 3.876 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000423545312 1027586897 /nfs/dbraw/zinc/58/68/97/1027586897.db2.gz PDUNTDFIPRIJAU-NDSDBLNTSA-N 2 0 324.468 3.887 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000576654253 1027642240 /nfs/dbraw/zinc/64/22/40/1027642240.db2.gz IOGAQJXLJRQLSM-NRFANRHFSA-N 2 0 312.501 3.780 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363546418 1027669983 /nfs/dbraw/zinc/66/99/83/1027669983.db2.gz RLXJBXROJIXVMS-ZCNNSNEGSA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363546415 1027670188 /nfs/dbraw/zinc/67/01/88/1027670188.db2.gz RLXJBXROJIXVMS-AABGKKOBSA-N 2 0 300.490 3.860 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985444 1027690494 /nfs/dbraw/zinc/69/04/94/1027690494.db2.gz YXDKUZCFKIYXTD-NHCUHLMSSA-N 2 0 321.468 3.665 20 0 DHADRP C[C@H](CC(C)(C)O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000296632026 1027691616 /nfs/dbraw/zinc/69/16/16/1027691616.db2.gz XLEKEKZSAUJCHI-IPJUCJBFSA-N 2 0 318.505 3.569 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000296738937 1027724407 /nfs/dbraw/zinc/72/44/07/1027724407.db2.gz OTHUGAHNQZSJSR-QGZVFWFLSA-N 2 0 318.505 3.516 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(Cl)c2Cl)C1 ZINC000577305273 1027744871 /nfs/dbraw/zinc/74/48/71/1027744871.db2.gz GJBHJVWAPSMSBM-SWLSCSKDSA-N 2 0 313.272 3.910 20 0 DHADRP CCCCCOc1cc(CN2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000577383839 1027761775 /nfs/dbraw/zinc/76/17/75/1027761775.db2.gz KIHUWITUKQIDDK-RDJZCZTQSA-N 2 0 320.477 3.576 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527668564 1027814395 /nfs/dbraw/zinc/81/43/95/1027814395.db2.gz QZSBDBYZHPZXPQ-UHFFFAOYSA-N 2 0 320.424 3.979 20 0 DHADRP C[C@@H]([NH2+]CCc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000562960282 1027827074 /nfs/dbraw/zinc/82/70/74/1027827074.db2.gz NLKYOQLZZPSFLF-DGCLKSJQSA-N 2 0 301.261 3.514 20 0 DHADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)ccn1 ZINC000527655160 1027827235 /nfs/dbraw/zinc/82/72/35/1027827235.db2.gz YINXPNCXBULBTG-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@@H]([NH2+]CCc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000562960506 1027828822 /nfs/dbraw/zinc/82/88/22/1027828822.db2.gz NLKYOQLZZPSFLF-YPMHNXCESA-N 2 0 301.261 3.514 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692087 1027830468 /nfs/dbraw/zinc/83/04/68/1027830468.db2.gz ROBVHQCZBQIPQO-NHUSPQTBSA-N 2 0 312.501 3.921 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527857323 1027921818 /nfs/dbraw/zinc/92/18/18/1027921818.db2.gz AEMQQLPBRHGABL-QGZVFWFLSA-N 2 0 310.844 3.788 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@H]1CC12CC2 ZINC000527867055 1027927628 /nfs/dbraw/zinc/92/76/28/1027927628.db2.gz NMGAOGWIEHSMCZ-LJIGWXMPSA-N 2 0 304.503 3.909 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000563231634 1027945437 /nfs/dbraw/zinc/94/54/37/1027945437.db2.gz MLDULBKKFGXGGG-UHFFFAOYSA-N 2 0 302.393 3.647 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000563275064 1027969527 /nfs/dbraw/zinc/96/95/27/1027969527.db2.gz BNJZMBWPFXLDOU-HBFSDRIKSA-N 2 0 317.521 3.532 20 0 DHADRP COCCC1CC[NH+](C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000527937426 1027973864 /nfs/dbraw/zinc/97/38/64/1027973864.db2.gz URQMHBPHXFONQP-XLIONFOSSA-N 2 0 322.537 3.778 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)CC1 ZINC000563445196 1028048654 /nfs/dbraw/zinc/04/86/54/1028048654.db2.gz ZLSJZUNQWQTLAK-IBGZPJMESA-N 2 0 314.473 3.582 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000366440607 1028078683 /nfs/dbraw/zinc/07/86/83/1028078683.db2.gz CEARSVJZHUDGSS-AQDKSWOWSA-N 2 0 306.881 3.904 20 0 DHADRP CO[C@@H]1CCC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367055829 1028126503 /nfs/dbraw/zinc/12/65/03/1028126503.db2.gz TYNXZQKKDFUKDN-GHBBCFCZSA-N 2 0 316.489 3.587 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000367087668 1028136344 /nfs/dbraw/zinc/13/63/44/1028136344.db2.gz YSCRWKCFTVFNKG-FVELJTHGSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1c(Cl)oc2ccccc21 ZINC000578470852 1028159107 /nfs/dbraw/zinc/15/91/07/1028159107.db2.gz VRETUOYLJHZDOR-SWLSCSKDSA-N 2 0 306.837 3.858 20 0 DHADRP CN1CCC([N@H+](Cc2ccco2)[C@@H]2CCc3ccccc32)CC1 ZINC000367668952 1028225752 /nfs/dbraw/zinc/22/57/52/1028225752.db2.gz JVCCXRCZPCXDHQ-HXUWFJFHSA-N 2 0 310.441 3.863 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000578771028 1028237716 /nfs/dbraw/zinc/23/77/16/1028237716.db2.gz FCZXPGGZAGVVOU-LJQANCHMSA-N 2 0 305.425 3.794 20 0 DHADRP COc1cc2ccccc2cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000449021465 1028252411 /nfs/dbraw/zinc/25/24/11/1028252411.db2.gz CMPXPNSMOMJFCB-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000449066006 1028302289 /nfs/dbraw/zinc/30/22/89/1028302289.db2.gz YGXJQTIQQKSGPE-SFHVURJKSA-N 2 0 308.469 3.872 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000449086960 1028328185 /nfs/dbraw/zinc/32/81/85/1028328185.db2.gz DZAHKLBIJRBFAQ-ZJRDLVKKSA-N 2 0 322.537 3.968 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449105235 1028353355 /nfs/dbraw/zinc/35/33/55/1028353355.db2.gz HWERHXYSNIRENW-JKSUJKDBSA-N 2 0 300.446 3.685 20 0 DHADRP C[C@@H](Cc1ccoc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000449104147 1028355408 /nfs/dbraw/zinc/35/54/08/1028355408.db2.gz DNYZDKWSKBJBOS-HNNXBMFYSA-N 2 0 318.486 3.774 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449087723 1028362328 /nfs/dbraw/zinc/36/23/28/1028362328.db2.gz GSFGARLXJQDWCO-QGPMSJSTSA-N 2 0 306.881 3.908 20 0 DHADRP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000449120513 1028371590 /nfs/dbraw/zinc/37/15/90/1028371590.db2.gz DEPOJFUHVWTCPT-RTBURBONSA-N 2 0 320.521 3.722 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000449133873 1028388190 /nfs/dbraw/zinc/38/81/90/1028388190.db2.gz FQZAPSYVRFVLFF-MRXNPFEDSA-N 2 0 318.530 3.567 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449112555 1028390897 /nfs/dbraw/zinc/39/08/97/1028390897.db2.gz ROXXLQWYGFMILJ-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCOC1 ZINC000449173144 1028413903 /nfs/dbraw/zinc/41/39/03/1028413903.db2.gz WQSSTIDDDOYYQO-CVEARBPZSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449159709 1028421332 /nfs/dbraw/zinc/42/13/32/1028421332.db2.gz IJSJXLQDWXUEMN-QGPMSJSTSA-N 2 0 318.486 3.945 20 0 DHADRP CC[C@H](O)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449162139 1028421600 /nfs/dbraw/zinc/42/16/00/1028421600.db2.gz QSJLWCOLZGPTPZ-KRWDZBQOSA-N 2 0 312.542 3.806 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](O)C2)CC1 ZINC000449163292 1028424526 /nfs/dbraw/zinc/42/45/26/1028424526.db2.gz LRDSXYRTFSVLCO-WMZOPIPTSA-N 2 0 324.553 3.806 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc2cccnc2o1 ZINC000449220731 1028463720 /nfs/dbraw/zinc/46/37/20/1028463720.db2.gz RCGHTXKCQPXCAE-UHFFFAOYSA-N 2 0 323.440 3.958 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449251793 1028474520 /nfs/dbraw/zinc/47/45/20/1028474520.db2.gz PITXKEQCBVPMAM-AEFFLSMTSA-N 2 0 304.865 3.828 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc2sccc2c1 ZINC000564823699 1028508351 /nfs/dbraw/zinc/50/83/51/1028508351.db2.gz WYDVVABJDJPPGP-GFCCVEGCSA-N 2 0 311.454 3.914 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000565157374 1028548607 /nfs/dbraw/zinc/54/86/07/1028548607.db2.gz RBLPWCCHSMZDSN-DOMZBBRYSA-N 2 0 304.434 3.866 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000449348749 1028560804 /nfs/dbraw/zinc/56/08/04/1028560804.db2.gz VHBGNJSVOOSJAC-FUHWJXTLSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)N1CCc2nc(C[NH2+]CC(C)(C)C(C)C)sc2C1 ZINC000370069437 1028561086 /nfs/dbraw/zinc/56/10/86/1028561086.db2.gz HJTWYAFNGZRPAC-UHFFFAOYSA-N 2 0 309.523 3.681 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000370114184 1028567011 /nfs/dbraw/zinc/56/70/11/1028567011.db2.gz XGRIFASLGOLAPU-HEZAVNPASA-N 2 0 316.489 3.794 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000815570827 1028567644 /nfs/dbraw/zinc/56/76/44/1028567644.db2.gz NDDWPTBJQNHPSO-QFBILLFUSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCC3CCOCC3)CC2)C1 ZINC000449354450 1028587784 /nfs/dbraw/zinc/58/77/84/1028587784.db2.gz NPDXEUBZZCKOFI-XLIONFOSSA-N 2 0 322.537 3.826 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000189568636 1028613995 /nfs/dbraw/zinc/61/39/95/1028613995.db2.gz PMPVFZNYANJSDA-UHFFFAOYSA-N 2 0 307.457 3.555 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565774570 1028633355 /nfs/dbraw/zinc/63/33/55/1028633355.db2.gz FOZXWVMSDUPSBQ-INIZCTEOSA-N 2 0 310.441 3.533 20 0 DHADRP C[C@@H](CCCCO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449434826 1028636763 /nfs/dbraw/zinc/63/67/63/1028636763.db2.gz SVDNAOGMGLMRNR-INIZCTEOSA-N 2 0 312.542 3.806 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CCc4nc[nH]c4C3)o2)cc1 ZINC000370728613 1028644071 /nfs/dbraw/zinc/64/40/71/1028644071.db2.gz CJVJYSCYNGBALG-HNNXBMFYSA-N 2 0 307.397 3.625 20 0 DHADRP [NH3+]C[C@@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000566226150 1028690749 /nfs/dbraw/zinc/69/07/49/1028690749.db2.gz HYCCRHDUVNALLK-HNNXBMFYSA-N 2 0 314.395 3.699 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccc(C)cc2)cc1 ZINC000566483521 1028732206 /nfs/dbraw/zinc/73/22/06/1028732206.db2.gz VCKDONJVRWWVQU-QKNQBKEWSA-N 2 0 324.468 3.953 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371686097 1028747057 /nfs/dbraw/zinc/74/70/57/1028747057.db2.gz RBTCIUVOJLLMPR-UAGQMJEPSA-N 2 0 304.503 3.556 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000566823712 1028787558 /nfs/dbraw/zinc/78/75/58/1028787558.db2.gz LWQSCIYQJLTWKM-YLJYHZDGSA-N 2 0 300.490 3.529 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000567332571 1028875141 /nfs/dbraw/zinc/87/51/41/1028875141.db2.gz WZHAAEOTUZKYHI-QGZVFWFLSA-N 2 0 316.489 3.971 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000449741550 1028961696 /nfs/dbraw/zinc/96/16/96/1028961696.db2.gz KWVLFWSOWDMMCA-HKUYNNGSSA-N 2 0 322.537 3.826 20 0 DHADRP CCO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000193424541 1029000723 /nfs/dbraw/zinc/00/07/23/1029000723.db2.gz DTHHGQQSPVJWKP-SFHVURJKSA-N 2 0 304.478 3.617 20 0 DHADRP c1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC23CC3)cc1 ZINC000568087748 1029004792 /nfs/dbraw/zinc/00/47/92/1029004792.db2.gz SGFPRVRBNZKYTN-FYQPLNBISA-N 2 0 310.485 3.962 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568131964 1029012067 /nfs/dbraw/zinc/01/20/67/1029012067.db2.gz ZWMJBWZANFPISJ-UMGGQSCQSA-N 2 0 300.490 3.889 20 0 DHADRP C[C@H]1C[C@@H](n2cnc3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628371726 1029020305 /nfs/dbraw/zinc/02/03/05/1029020305.db2.gz ZRIRJUCBKKAMPN-WMZOPIPTSA-N 2 0 309.457 3.988 20 0 DHADRP COc1ccc(Cl)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000568344087 1029049995 /nfs/dbraw/zinc/04/99/95/1029049995.db2.gz IRLFLUQUQOUKJX-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000628425753 1029052268 /nfs/dbraw/zinc/05/22/68/1029052268.db2.gz UKQFQUROAMVTCK-UQHVZDHRSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000373645977 1029104579 /nfs/dbraw/zinc/10/45/79/1029104579.db2.gz UYFPQWHNWXUPAI-RMWBKXBUSA-N 2 0 304.453 3.780 20 0 DHADRP C[C@@H]([C@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1CCCCC1 ZINC000568856968 1029136541 /nfs/dbraw/zinc/13/65/41/1029136541.db2.gz GOROYNPXLAYJNJ-GJZGRUSLSA-N 2 0 319.493 3.836 20 0 DHADRP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@@H](C)C1CCCCC1 ZINC000568856969 1029137404 /nfs/dbraw/zinc/13/74/04/1029137404.db2.gz GOROYNPXLAYJNJ-HUUCEWRRSA-N 2 0 319.493 3.836 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000569000454 1029158380 /nfs/dbraw/zinc/15/83/80/1029158380.db2.gz JCVSJUJHRSIJLO-CABCVRRESA-N 2 0 323.278 3.688 20 0 DHADRP C[C@H](N[C@@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000569106029 1029179086 /nfs/dbraw/zinc/17/90/86/1029179086.db2.gz OWSSPMUPNRVCRW-CFVMTHIKSA-N 2 0 300.368 3.658 20 0 DHADRP CC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000411676031 1029180206 /nfs/dbraw/zinc/18/02/06/1029180206.db2.gz PJQZQAVFNQOYSV-FQEVSTJZSA-N 2 0 316.489 3.673 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCO2 ZINC000817586227 1029214659 /nfs/dbraw/zinc/21/46/59/1029214659.db2.gz MSUHHFMEBHRYMX-ABHNRTSZSA-N 2 0 302.462 3.535 20 0 DHADRP CCc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817897543 1029270220 /nfs/dbraw/zinc/27/02/20/1029270220.db2.gz RUDCRISFYHKVEW-FPOVZHCZSA-N 2 0 322.452 3.595 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000817894283 1029270821 /nfs/dbraw/zinc/27/08/21/1029270821.db2.gz LFFNEKSAKNXEJG-HOTGVXAUSA-N 2 0 317.521 3.668 20 0 DHADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817908195 1029271912 /nfs/dbraw/zinc/27/19/12/1029271912.db2.gz PUFVZIVABGLWQW-PZJWPPBQSA-N 2 0 322.452 3.649 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCCCOc1ccc(Cl)cc1 ZINC000817923863 1029274739 /nfs/dbraw/zinc/27/47/39/1029274739.db2.gz BJIRLNHNFDSBFS-DLBZAZTESA-N 2 0 310.869 3.749 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000374294312 1029275853 /nfs/dbraw/zinc/27/58/53/1029275853.db2.gz ROGYRYWJFXJYGN-IBGZPJMESA-N 2 0 316.489 3.576 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1(Cl)Cl ZINC000817936201 1029280415 /nfs/dbraw/zinc/28/04/15/1029280415.db2.gz IHTJVAFURCTNCF-TUVASFSCSA-N 2 0 319.320 3.861 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(SC(F)F)cc1 ZINC000817948049 1029290111 /nfs/dbraw/zinc/29/01/11/1029290111.db2.gz SXZUOLVNQXGJJX-PKSQDBQZSA-N 2 0 300.418 3.922 20 0 DHADRP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000817966990 1029308562 /nfs/dbraw/zinc/30/85/62/1029308562.db2.gz BDKJFHCGWTYMOD-MRXNPFEDSA-N 2 0 324.440 3.888 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccnc(Cl)c1 ZINC000817982680 1029320117 /nfs/dbraw/zinc/32/01/17/1029320117.db2.gz VJABNZPGNPSQKB-CZUORRHYSA-N 2 0 303.837 3.866 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccnc(Cl)c1 ZINC000817982681 1029321102 /nfs/dbraw/zinc/32/11/02/1029321102.db2.gz VJABNZPGNPSQKB-XJKSGUPXSA-N 2 0 303.837 3.866 20 0 DHADRP c1cc(-c2ccccc2)sc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629509620 1029349555 /nfs/dbraw/zinc/34/95/55/1029349555.db2.gz FYTMMDFQOWVLAN-IXDOHACOSA-N 2 0 312.482 3.893 20 0 DHADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C2CCCCC2)cc1 ZINC000629524914 1029356983 /nfs/dbraw/zinc/35/69/83/1029356983.db2.gz WFYFLXAIGIPVLR-INIZCTEOSA-N 2 0 316.489 3.893 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000629531274 1029357569 /nfs/dbraw/zinc/35/75/69/1029357569.db2.gz GKJZTSBEJVSZCC-LTFPLMDUSA-N 2 0 322.537 3.871 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCC1CCCCC1 ZINC000570366398 1029359279 /nfs/dbraw/zinc/35/92/79/1029359279.db2.gz ZKJBVMBUAZONGJ-QYZOEREBSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000629532024 1029360145 /nfs/dbraw/zinc/36/01/45/1029360145.db2.gz IVHPEJCPRQSVIA-RBUKOAKNSA-N 2 0 323.484 3.755 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533255 1029362388 /nfs/dbraw/zinc/36/23/88/1029362388.db2.gz PRVGVRPREPJVAL-SJORKVTESA-N 2 0 315.505 3.589 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629543856 1029364842 /nfs/dbraw/zinc/36/48/42/1029364842.db2.gz CRAPCNDBOZEHBB-HOTGVXAUSA-N 2 0 323.843 3.753 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544694 1029366039 /nfs/dbraw/zinc/36/60/39/1029366039.db2.gz IZENJUIMKXWOFO-BDJLRTHQSA-N 2 0 323.843 3.610 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000570440357 1029366283 /nfs/dbraw/zinc/36/62/83/1029366283.db2.gz NXGSSVRLBLQDJX-FQEVSTJZSA-N 2 0 312.457 3.889 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000629561046 1029371841 /nfs/dbraw/zinc/37/18/41/1029371841.db2.gz GMTNMNFFDZOFOV-LSDHHAIUSA-N 2 0 306.416 3.806 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@@H]1C(F)(F)F ZINC000629563056 1029373362 /nfs/dbraw/zinc/37/33/62/1029373362.db2.gz PRBIHXCXOLZOPH-SJORKVTESA-N 2 0 322.374 3.799 20 0 DHADRP c1cc2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000529534538 1029392520 /nfs/dbraw/zinc/39/25/20/1029392520.db2.gz FGSVLNPTNUKWBP-PXNSSMCTSA-N 2 0 309.457 3.617 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000570727512 1029410374 /nfs/dbraw/zinc/41/03/74/1029410374.db2.gz XUNXFPUCJASKTN-CEXWTWQISA-N 2 0 300.490 3.718 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629656207 1029410286 /nfs/dbraw/zinc/41/02/86/1029410286.db2.gz NAJXDKPRUJYGHO-CVEARBPZSA-N 2 0 314.395 3.571 20 0 DHADRP C[NH2+]CC1(c2ccc(-c3ccc(C[NH+](C)C)c(F)c3)cc2)CC1 ZINC000629708280 1029432442 /nfs/dbraw/zinc/43/24/42/1029432442.db2.gz DLLAUVFBXUPGTR-UHFFFAOYSA-N 2 0 312.432 3.805 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)COCc1ccccc1 ZINC000389923405 1029435824 /nfs/dbraw/zinc/43/58/24/1029435824.db2.gz UETYWGFBUGAJAP-UIAACRFSSA-N 2 0 310.441 3.574 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170918906 1029449875 /nfs/dbraw/zinc/44/98/75/1029449875.db2.gz XVTLKAYDODPHJA-PREGVCBESA-N 2 0 320.908 3.907 20 0 DHADRP C[N@@H+](Cc1cccc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374781424 1029459253 /nfs/dbraw/zinc/45/92/53/1029459253.db2.gz NZFHXWPLORVELK-UHFFFAOYSA-N 2 0 313.420 3.569 20 0 DHADRP CCc1cc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc[nH+]1 ZINC000450447595 1029481034 /nfs/dbraw/zinc/48/10/34/1029481034.db2.gz WRZRVYTVDCQOBB-AWEZNQCLSA-N 2 0 301.459 3.589 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000450494514 1029516587 /nfs/dbraw/zinc/51/65/87/1029516587.db2.gz MKIYTGOJYOSHCN-KRWDZBQOSA-N 2 0 320.521 3.722 20 0 DHADRP CC[N@H+](CCC1CCN([C@@H](C)c2csnn2)CC1)CC(C)C ZINC000450643583 1029587249 /nfs/dbraw/zinc/58/72/49/1029587249.db2.gz BLVGBIKJOGVUGY-HNNXBMFYSA-N 2 0 324.538 3.679 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724327 1029635101 /nfs/dbraw/zinc/63/51/01/1029635101.db2.gz GFKJZAJGVVKAGM-RRFJBIMHSA-N 2 0 300.437 3.664 20 0 DHADRP CCc1cc(CCC[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)on1 ZINC000450751797 1029642957 /nfs/dbraw/zinc/64/29/57/1029642957.db2.gz FCEYUWBZBJKWIZ-QFBILLFUSA-N 2 0 321.509 3.660 20 0 DHADRP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000390763224 1029703877 /nfs/dbraw/zinc/70/38/77/1029703877.db2.gz CFHDEOPFAHNCMS-QGZVFWFLSA-N 2 0 314.498 3.922 20 0 DHADRP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000390763208 1029704043 /nfs/dbraw/zinc/70/40/43/1029704043.db2.gz CFHDEOPFAHNCMS-KRWDZBQOSA-N 2 0 314.498 3.922 20 0 DHADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820825309 1029769104 /nfs/dbraw/zinc/76/91/04/1029769104.db2.gz ZMBRSAHAEOZDTB-FFZOFVMBSA-N 2 0 318.505 3.850 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811366 1029769382 /nfs/dbraw/zinc/76/93/82/1029769382.db2.gz PJGGRQYFGXBUFB-LPHOPBHVSA-N 2 0 306.494 3.586 20 0 DHADRP CC(C)([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000530221455 1029782501 /nfs/dbraw/zinc/78/25/01/1029782501.db2.gz CZCJDXMWJVXXAY-ZDUSSCGKSA-N 2 0 303.475 3.511 20 0 DHADRP COc1cccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2(C)C)c1 ZINC000530230464 1029784001 /nfs/dbraw/zinc/78/40/01/1029784001.db2.gz GNUYWYAXROQVSF-QFBILLFUSA-N 2 0 316.489 3.510 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000392184796 1029808825 /nfs/dbraw/zinc/80/88/25/1029808825.db2.gz CGWTXMSRGCAXRP-OAQYLSRUSA-N 2 0 306.453 3.822 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170971350 1029867934 /nfs/dbraw/zinc/86/79/34/1029867934.db2.gz MPLHILHLQDASBN-BRWVUGGUSA-N 2 0 304.453 3.663 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000122074652 1029946541 /nfs/dbraw/zinc/94/65/41/1029946541.db2.gz GAYSXUOGHJDESF-SOLBZPMBSA-N 2 0 310.526 3.823 20 0 DHADRP C1CC([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCOC2)C1 ZINC000865759848 1030008657 /nfs/dbraw/zinc/00/86/57/1030008657.db2.gz SPNGGIRMOVFFRK-FXAWDEMLSA-N 2 0 320.521 3.578 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000865765518 1030013549 /nfs/dbraw/zinc/01/35/49/1030013549.db2.gz YNXBNMAZTZTWLN-FEWQNLEASA-N 2 0 306.416 3.960 20 0 DHADRP COc1ccc2oc(C[NH2+]C3CCC(C)([NH+](C)C)CC3)cc2c1 ZINC000865765426 1030014847 /nfs/dbraw/zinc/01/48/47/1030014847.db2.gz UGUWRUMBCJUTSI-UHFFFAOYSA-N 2 0 316.445 3.794 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(C)c1O ZINC000290395339 1030032921 /nfs/dbraw/zinc/03/29/21/1030032921.db2.gz OWPSKVVXGNHFSR-FUHWJXTLSA-N 2 0 316.489 3.752 20 0 DHADRP C1CC([NH2+]C2CC[NH+](C3CCCCC3)CC2)([C@@H]2CCCCO2)C1 ZINC000865856357 1030061832 /nfs/dbraw/zinc/06/18/32/1030061832.db2.gz GRWXTBKRJSCAKD-IBGZPJMESA-N 2 0 320.521 3.865 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924526440 1030113602 /nfs/dbraw/zinc/11/36/02/1030113602.db2.gz FAODUNHGSIXUBD-HOTGVXAUSA-N 2 0 306.498 3.769 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170995986 1030127298 /nfs/dbraw/zinc/12/72/98/1030127298.db2.gz HSGAWRBCYWCBLF-GOSISDBHSA-N 2 0 318.480 3.735 20 0 DHADRP COc1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000533098397 1030127546 /nfs/dbraw/zinc/12/75/46/1030127546.db2.gz KJVCQLGJXMOTMY-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000822770932 1030130121 /nfs/dbraw/zinc/13/01/21/1030130121.db2.gz NAMPBNOFZKLYNB-KCQAQPDRSA-N 2 0 317.304 3.519 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000924586385 1030131742 /nfs/dbraw/zinc/13/17/42/1030131742.db2.gz JFQYPQUAIGETHJ-GOSISDBHSA-N 2 0 323.484 3.788 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)c1 ZINC000924606062 1030137378 /nfs/dbraw/zinc/13/73/78/1030137378.db2.gz AECKGRPNQPLFAG-TZIWHRDSSA-N 2 0 323.484 3.644 20 0 DHADRP COCc1ccccc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924604670 1030137409 /nfs/dbraw/zinc/13/74/09/1030137409.db2.gz XFBWGNBUIZSJBF-INIZCTEOSA-N 2 0 312.457 3.745 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000924651719 1030152110 /nfs/dbraw/zinc/15/21/10/1030152110.db2.gz ZZSRFUAESBUXEX-CVEARBPZSA-N 2 0 324.468 3.983 20 0 DHADRP Cc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000357698954 1030153638 /nfs/dbraw/zinc/15/36/38/1030153638.db2.gz PRSLNFNIADEBTF-UHFFFAOYSA-N 2 0 321.468 3.883 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924682652 1030157013 /nfs/dbraw/zinc/15/70/13/1030157013.db2.gz COOVYGFAOWFMJP-HNJRGHQBSA-N 2 0 322.537 3.539 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000924685242 1030157955 /nfs/dbraw/zinc/15/79/55/1030157955.db2.gz OGPRXLKRQSSIKH-KFWWJZLASA-N 2 0 307.482 3.700 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000924688601 1030159640 /nfs/dbraw/zinc/15/96/40/1030159640.db2.gz UBTFOYOGEJMEOJ-GUDVDZBRSA-N 2 0 310.526 3.562 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000866231966 1030168135 /nfs/dbraw/zinc/16/81/35/1030168135.db2.gz AYLGUIILTJYZLI-MAODMQOUSA-N 2 0 323.484 3.772 20 0 DHADRP C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cnn(C2CCC2)c1 ZINC000924729663 1030173398 /nfs/dbraw/zinc/17/33/98/1030173398.db2.gz NIYQWNUWBRQXRV-PBHICJAKSA-N 2 0 315.465 3.570 20 0 DHADRP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccn1 ZINC000245884778 1030174269 /nfs/dbraw/zinc/17/42/69/1030174269.db2.gz IQWICDNRGVDTLU-RLFYNMQTSA-N 2 0 315.486 3.877 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000866265409 1030188117 /nfs/dbraw/zinc/18/81/17/1030188117.db2.gz KXMZKPXCRGWOQA-GOSISDBHSA-N 2 0 303.494 3.649 20 0 DHADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924827656 1030197681 /nfs/dbraw/zinc/19/76/81/1030197681.db2.gz CSRBXYCBIJIXEY-UXHICEINSA-N 2 0 318.505 3.678 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171011417 1030233942 /nfs/dbraw/zinc/23/39/42/1030233942.db2.gz DOVUNZLELPXHNZ-MRXNPFEDSA-N 2 0 306.881 3.660 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924955787 1030235358 /nfs/dbraw/zinc/23/53/58/1030235358.db2.gz QLMUVGDVCMXWTM-INIZCTEOSA-N 2 0 318.505 3.687 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000924963531 1030237629 /nfs/dbraw/zinc/23/76/29/1030237629.db2.gz KIMGGMBSPQGUPJ-OAHLLOKOSA-N 2 0 306.519 3.661 20 0 DHADRP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866368315 1030260127 /nfs/dbraw/zinc/26/01/27/1030260127.db2.gz ZXQXOAMJNYDVDV-POTCCKHJSA-N 2 0 302.437 3.664 20 0 DHADRP CC1CCC(O)(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000357997443 1030274239 /nfs/dbraw/zinc/27/42/39/1030274239.db2.gz CZPRYALOZOYNBU-KAXARAQCSA-N 2 0 322.537 3.514 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144590 1030284973 /nfs/dbraw/zinc/28/49/73/1030284973.db2.gz VAQPZPUFMSXKBH-NHCYSSNCSA-N 2 0 306.397 3.900 20 0 DHADRP CSc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000358037587 1030290505 /nfs/dbraw/zinc/29/05/05/1030290505.db2.gz RFZJKSCXQQDSCN-MAUKXSAKSA-N 2 0 316.514 3.857 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000358040693 1030294684 /nfs/dbraw/zinc/29/46/84/1030294684.db2.gz SKJWIKHCGAAUAW-HLLBOEOZSA-N 2 0 322.518 3.605 20 0 DHADRP CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925192391 1030296983 /nfs/dbraw/zinc/29/69/83/1030296983.db2.gz QLRAOUJOYPGZPR-INIZCTEOSA-N 2 0 306.494 3.588 20 0 DHADRP c1cc2c(cccc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[nH]1 ZINC000246100901 1030297974 /nfs/dbraw/zinc/29/79/74/1030297974.db2.gz JFYURHQIVVRSAN-OXJNMPFZSA-N 2 0 309.457 3.617 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171017172 1030298508 /nfs/dbraw/zinc/29/85/08/1030298508.db2.gz GCJKVOCKOOLHPF-INIZCTEOSA-N 2 0 306.881 3.519 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)CCC2 ZINC000866467781 1030309095 /nfs/dbraw/zinc/30/90/95/1030309095.db2.gz QARCLRKAEUJNQH-MRXNPFEDSA-N 2 0 321.534 3.929 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000866468066 1030309810 /nfs/dbraw/zinc/30/98/10/1030309810.db2.gz ZMGNRTDCEBQBIH-AWEZNQCLSA-N 2 0 309.885 3.896 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000866468591 1030310285 /nfs/dbraw/zinc/31/02/85/1030310285.db2.gz GHROCQDCDVGLDQ-HNNXBMFYSA-N 2 0 307.507 3.621 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000866468063 1030310377 /nfs/dbraw/zinc/31/03/77/1030310377.db2.gz ZKHQVRIAWXTGHX-AWEZNQCLSA-N 2 0 309.885 3.896 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000866468064 1030310617 /nfs/dbraw/zinc/31/06/17/1030310617.db2.gz ZKHQVRIAWXTGHX-CQSZACIVSA-N 2 0 309.885 3.896 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000866468970 1030310955 /nfs/dbraw/zinc/31/09/55/1030310955.db2.gz JPIFVFVHWRWNCM-SFHVURJKSA-N 2 0 317.521 3.893 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000866478428 1030314501 /nfs/dbraw/zinc/31/45/01/1030314501.db2.gz IDGQLSKDRCHYCG-CRAIPNDOSA-N 2 0 322.518 3.563 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000925231003 1030314744 /nfs/dbraw/zinc/31/47/44/1030314744.db2.gz AKCMWILRMSWLDK-FQEVSTJZSA-N 2 0 322.537 3.539 20 0 DHADRP COc1cc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)ccc1F ZINC000866517451 1030343257 /nfs/dbraw/zinc/34/32/57/1030343257.db2.gz ZJJINVCTBRGWRN-UQHVZDHRSA-N 2 0 308.441 3.748 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000866517061 1030343291 /nfs/dbraw/zinc/34/32/91/1030343291.db2.gz VPLCXHVJGDGGHA-URSIVYNOSA-N 2 0 302.462 3.753 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246266793 1030353502 /nfs/dbraw/zinc/35/35/02/1030353502.db2.gz PQVOSHFXUKLWMB-CQSZACIVSA-N 2 0 301.261 3.656 20 0 DHADRP C/C=C(\NC=[NH2+])N[C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C[C@@H]1C ZINC001171029264 1030386211 /nfs/dbraw/zinc/38/62/11/1030386211.db2.gz WEVGIEKRDFEMOE-ZYZZVYDLSA-N 2 0 320.525 3.592 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000925528511 1030386587 /nfs/dbraw/zinc/38/65/87/1030386587.db2.gz VMXXWLOJCPFSOC-HOAMVYINSA-N 2 0 306.416 3.851 20 0 DHADRP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925547463 1030398329 /nfs/dbraw/zinc/39/83/29/1030398329.db2.gz OFXGEXQULWVGRQ-FHWLQOOXSA-N 2 0 314.473 3.577 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925552820 1030398534 /nfs/dbraw/zinc/39/85/34/1030398534.db2.gz KZQZUCBVNHTQEJ-FQEVSTJZSA-N 3 0 317.521 3.568 20 0 DHADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000925554461 1030402193 /nfs/dbraw/zinc/40/21/93/1030402193.db2.gz AOVKSYAACHOEGW-FCGDIQPGSA-N 2 0 322.537 3.559 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925566418 1030407050 /nfs/dbraw/zinc/40/70/50/1030407050.db2.gz BRJRUSSUDJRVQS-RDGPPVDQSA-N 2 0 316.489 3.650 20 0 DHADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925572000 1030408666 /nfs/dbraw/zinc/40/86/66/1030408666.db2.gz HRINBVKHNXPCAY-UXPWSPDFSA-N 2 0 312.457 3.568 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C12CCC2 ZINC000925584785 1030412461 /nfs/dbraw/zinc/41/24/61/1030412461.db2.gz MNQCPOWMYRMTRN-UXHICEINSA-N 2 0 322.452 3.592 20 0 DHADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925607800 1030418756 /nfs/dbraw/zinc/41/87/56/1030418756.db2.gz DANHURHMAVZVMM-GUMHCPJTSA-N 2 0 322.537 3.680 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)CC1 ZINC000925607415 1030418862 /nfs/dbraw/zinc/41/88/62/1030418862.db2.gz PJWYPCYSLCXSEH-BMHOQUIDSA-N 3 0 321.553 3.525 20 0 DHADRP C[C@H]1CC2(CC([NH2+]C3CCC([NH+]4CCC(C)CC4)CC3)C2)CO1 ZINC000925609238 1030419671 /nfs/dbraw/zinc/41/96/71/1030419671.db2.gz RDVFAHIATBXTKZ-KUNTWMTDSA-N 2 0 320.521 3.577 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000291259269 1030423011 /nfs/dbraw/zinc/42/30/11/1030423011.db2.gz PVAQMGCQHFMPJL-LJQANCHMSA-N 2 0 310.441 3.621 20 0 DHADRP Fc1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000533557636 1030426217 /nfs/dbraw/zinc/42/62/17/1030426217.db2.gz XHMKHUMQPOIWON-UHFFFAOYSA-N 2 0 304.453 3.914 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708319 1030429158 /nfs/dbraw/zinc/42/91/58/1030429158.db2.gz MPHYKCQKAZKVNF-LJQANCHMSA-N 2 0 303.494 3.710 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000866717928 1030430944 /nfs/dbraw/zinc/43/09/44/1030430944.db2.gz UJVYURSJGKEEKQ-MSOLQXFVSA-N 2 0 316.489 3.654 20 0 DHADRP C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925646985 1030431523 /nfs/dbraw/zinc/43/15/23/1030431523.db2.gz XJIPLCMZNUSMOU-MGPUTAFESA-N 2 0 309.457 3.945 20 0 DHADRP COCC1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000823966208 1030436042 /nfs/dbraw/zinc/43/60/42/1030436042.db2.gz GPZFVYUIMOATFN-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925657001 1030442509 /nfs/dbraw/zinc/44/25/09/1030442509.db2.gz AHDXMBPYRFTXON-VAMGGRTRSA-N 2 0 316.489 3.522 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C12CCC2 ZINC000925657932 1030444062 /nfs/dbraw/zinc/44/40/62/1030444062.db2.gz VJDQDRQGSYSKFW-QCEMKRCNSA-N 2 0 324.390 3.811 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[C@@H](c3ccc(F)cc3)C1)[NH2+]2 ZINC000925663389 1030445743 /nfs/dbraw/zinc/44/57/43/1030445743.db2.gz RPLRVGDUQXNIMX-HYLTUCOTSA-N 2 0 302.437 3.580 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@H](c3cccc(F)c3)C1)[NH2+]2 ZINC000925661770 1030446245 /nfs/dbraw/zinc/44/62/45/1030446245.db2.gz DOPONHMGXWWKFZ-DPYBKRLMSA-N 2 0 302.437 3.580 20 0 DHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925678409 1030450686 /nfs/dbraw/zinc/45/06/86/1030450686.db2.gz DSTIHOKVVGZWJY-RYQLBKOJSA-N 2 0 316.514 3.634 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925686065 1030453301 /nfs/dbraw/zinc/45/33/01/1030453301.db2.gz QDELQCRDOTYYSS-IEBWSBKVSA-N 2 0 315.505 3.637 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000925717976 1030462681 /nfs/dbraw/zinc/46/26/81/1030462681.db2.gz JONAVJRORYLUDW-VTXSZYRJSA-N 2 0 304.400 3.605 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925733146 1030470090 /nfs/dbraw/zinc/47/00/90/1030470090.db2.gz SXHGGXMRUSEILX-DRZSPHRISA-N 2 0 315.383 3.657 20 0 DHADRP C[C@@H](c1cccc2ccccc21)N1CCc2sc(C[NH3+])nc2C1 ZINC000925748703 1030477127 /nfs/dbraw/zinc/47/71/27/1030477127.db2.gz XNOXNXKXAHMEJZ-ZDUSSCGKSA-N 2 0 323.465 3.874 20 0 DHADRP COc1cccc2c1OCCC[C@@H]2N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925765067 1030486903 /nfs/dbraw/zinc/48/69/03/1030486903.db2.gz DHAWMPIKZLGCNY-BZSNNMDCSA-N 2 0 324.424 3.643 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2sccc21 ZINC000925777487 1030492925 /nfs/dbraw/zinc/49/29/25/1030492925.db2.gz PEKXBLGYNIRHGW-WZRBSPASSA-N 2 0 300.418 3.521 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925779642 1030495708 /nfs/dbraw/zinc/49/57/08/1030495708.db2.gz YTTJDUAGVQMPKY-COXVUDFISA-N 2 0 308.416 3.705 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000925782939 1030495999 /nfs/dbraw/zinc/49/59/99/1030495999.db2.gz BIWJTGBHXBVVHH-IPYPFGDCSA-N 2 0 310.869 3.633 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000558253815 1030498142 /nfs/dbraw/zinc/49/81/42/1030498142.db2.gz FZEKFRLHUYYUGF-ZRSRNVLSSA-N 2 0 302.437 3.662 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cs2)cs1 ZINC000925793616 1030498329 /nfs/dbraw/zinc/49/83/29/1030498329.db2.gz ZDXVCSDAWMIHDC-GYSYKLTISA-N 2 0 321.515 3.686 20 0 DHADRP c1sc(C2CCCCC2)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506368 1030518192 /nfs/dbraw/zinc/51/81/92/1030518192.db2.gz JREJLLVDSAQBIF-UHFFFAOYSA-N 2 0 319.518 3.766 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000925876902 1030528928 /nfs/dbraw/zinc/52/89/28/1030528928.db2.gz IOOGROCHIFDSMD-UXLLHSPISA-N 2 0 320.477 3.652 20 0 DHADRP COc1cccc(C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2ccccc2)c1 ZINC000925875891 1030529029 /nfs/dbraw/zinc/52/90/29/1030529029.db2.gz ORHCBBCATILPLN-LMNJBCLMSA-N 2 0 324.468 3.696 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880103 1030531561 /nfs/dbraw/zinc/53/15/61/1030531561.db2.gz OCAMOERFJJSJND-BJJXKVORSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000925880839 1030532322 /nfs/dbraw/zinc/53/23/22/1030532322.db2.gz UZZLASQXAIWWBF-GUTXKFCHSA-N 2 0 301.459 3.588 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000925879313 1030532548 /nfs/dbraw/zinc/53/25/48/1030532548.db2.gz BJDCKFCMGMRZIV-PEYYIBSZSA-N 2 0 323.278 3.544 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000925885943 1030534142 /nfs/dbraw/zinc/53/41/42/1030534142.db2.gz BUHKCOZZEIPJCQ-JKLQHZFJSA-N 2 0 320.480 3.971 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925882678 1030534698 /nfs/dbraw/zinc/53/46/98/1030534698.db2.gz PPCXJYPWUXDMBJ-MCYKXBRJSA-N 2 0 316.489 3.827 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000925887408 1030536766 /nfs/dbraw/zinc/53/67/66/1030536766.db2.gz CEAMVBOTAROXRM-ZNOIYHFQSA-N 2 0 316.395 3.675 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)CC[NH2+]1 ZINC001246318204 1030548938 /nfs/dbraw/zinc/54/89/38/1030548938.db2.gz RBTIFGGKAMQZAR-IAQYHMDHSA-N 2 0 323.278 3.557 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](CCCCOc3ccccc3)C2)CC1 ZINC000558417362 1030567876 /nfs/dbraw/zinc/56/78/76/1030567876.db2.gz ABFGKWWQSGAGIK-LJQANCHMSA-N 2 0 316.489 3.509 20 0 DHADRP CCC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ncccc1Cl ZINC000926113481 1030619882 /nfs/dbraw/zinc/61/98/82/1030619882.db2.gz GGVFYMKABDTZPE-HNNXBMFYSA-N 2 0 309.885 3.898 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000926114113 1030620206 /nfs/dbraw/zinc/62/02/06/1030620206.db2.gz KCXSYLXRCILYAC-HXUWFJFHSA-N 2 0 323.484 3.801 20 0 DHADRP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246492199 1030634446 /nfs/dbraw/zinc/63/44/46/1030634446.db2.gz HEALEJZYYKXYHG-PXNSSMCTSA-N 2 0 314.473 3.534 20 0 DHADRP COC1CCC(CC[NH2+]C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000926154978 1030635982 /nfs/dbraw/zinc/63/59/82/1030635982.db2.gz KYKVIYJGJMRIIR-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926199099 1030652455 /nfs/dbraw/zinc/65/24/55/1030652455.db2.gz XZYDXLSNQIXKGN-CWFSZBLJSA-N 2 0 316.489 3.604 20 0 DHADRP COc1ccc(F)cc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926218950 1030661194 /nfs/dbraw/zinc/66/11/94/1030661194.db2.gz JMWWAAKEQWPZAA-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP CC(C)[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000122358442 1030669804 /nfs/dbraw/zinc/66/98/04/1030669804.db2.gz NMRSQAQUGCYYDO-FQEVSTJZSA-N 2 0 315.505 3.746 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000247077564 1030674840 /nfs/dbraw/zinc/67/48/40/1030674840.db2.gz OQWBLGIHTHYQFU-DLBZAZTESA-N 2 0 306.498 3.769 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000247089256 1030675469 /nfs/dbraw/zinc/67/54/69/1030675469.db2.gz NUZNSZGZDUPFAM-IPMKNSEASA-N 2 0 320.521 3.577 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)CCC2 ZINC000247201748 1030680302 /nfs/dbraw/zinc/68/03/02/1030680302.db2.gz WHYDMYOCBLMRMK-ZBFHGGJFSA-N 2 0 321.534 3.931 20 0 DHADRP Cc1ccc2c(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)c[nH]c2c1 ZINC001136977434 1030696664 /nfs/dbraw/zinc/69/66/64/1030696664.db2.gz ZKBVCAJWOIPBPW-UHFFFAOYSA-N 2 0 320.440 3.502 20 0 DHADRP Cc1cccc(CCC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926399119 1030722232 /nfs/dbraw/zinc/72/22/32/1030722232.db2.gz AVHSHSWERGURBA-QGZVFWFLSA-N 2 0 311.473 3.735 20 0 DHADRP COCC(C)(C)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926425743 1030734825 /nfs/dbraw/zinc/73/48/25/1030734825.db2.gz KGYKNTORKFVVLL-INIZCTEOSA-N 2 0 306.494 3.852 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCSc3ccc(OC)cc32)C1 ZINC000248856386 1030772694 /nfs/dbraw/zinc/77/26/94/1030772694.db2.gz RFISHWVKJOEDRX-YOEHRIQHSA-N 2 0 320.502 3.554 20 0 DHADRP Cc1cccc([C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000926572103 1030801997 /nfs/dbraw/zinc/80/19/97/1030801997.db2.gz GAXOCHBRFOABER-RXVVDRJESA-N 2 0 323.484 3.801 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926571800 1030802448 /nfs/dbraw/zinc/80/24/48/1030802448.db2.gz CMQSFEUPJWISKB-WIYYLYMNSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359212654 1030842980 /nfs/dbraw/zinc/84/29/80/1030842980.db2.gz DXCWTXOPGCBSOG-CYBMUJFWSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926659144 1030847946 /nfs/dbraw/zinc/84/79/46/1030847946.db2.gz BKOLAEMNMPSWOY-CWFSZBLJSA-N 2 0 316.489 3.747 20 0 DHADRP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926674451 1030856505 /nfs/dbraw/zinc/85/65/05/1030856505.db2.gz FLZPEKUIEFFGKF-OALUTQOASA-N 2 0 322.537 3.682 20 0 DHADRP COc1cccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1C ZINC000926734895 1030890912 /nfs/dbraw/zinc/89/09/12/1030890912.db2.gz UGJMAMGAWNTXPN-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926731967 1030893072 /nfs/dbraw/zinc/89/30/72/1030893072.db2.gz NOCNTQFRWVCWFQ-TWOQFEAHSA-N 2 0 312.457 3.521 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc2ccccc2[nH]1 ZINC000926733983 1030893118 /nfs/dbraw/zinc/89/31/18/1030893118.db2.gz YOOSWNCABZETPR-HNNXBMFYSA-N 2 0 311.473 3.941 20 0 DHADRP Cc1ccc(C(F)(F)F)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001143680865 1030900900 /nfs/dbraw/zinc/90/09/00/1030900900.db2.gz MDVLQCQIQTWZQB-UHFFFAOYSA-N 2 0 312.379 3.541 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cccc(C[NH+](C)C)c1 ZINC000926788685 1030928139 /nfs/dbraw/zinc/92/81/39/1030928139.db2.gz BIDOPCJCCREBBL-MRXNPFEDSA-N 2 0 324.468 3.672 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1cccnc1 ZINC000359367537 1030929313 /nfs/dbraw/zinc/92/93/13/1030929313.db2.gz BLFITLRFZKCMJL-LJQANCHMSA-N 2 0 306.413 3.754 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161584127 1030930288 /nfs/dbraw/zinc/93/02/88/1030930288.db2.gz AKLYCKXNPHXZBA-CPUCHLNUSA-N 2 0 306.881 3.690 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccnn1CC1CCC1 ZINC000926794199 1030932132 /nfs/dbraw/zinc/93/21/32/1030932132.db2.gz GRYWFDRMSUIHPV-DMKPSLHHSA-N 2 0 318.509 3.597 20 0 DHADRP C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926894145 1030973241 /nfs/dbraw/zinc/97/32/41/1030973241.db2.gz KDMSEOXFMAOVBW-QRWLVFNGSA-N 2 0 309.457 3.945 20 0 DHADRP CSc1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)ccn1 ZINC000925295847 1031013434 /nfs/dbraw/zinc/01/34/34/1031013434.db2.gz UBSHUPQREYILRN-AWEZNQCLSA-N 2 0 315.486 3.716 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261538189 1031031259 /nfs/dbraw/zinc/03/12/59/1031031259.db2.gz PYDFCCBGTHGKAS-XLIONFOSSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261538188 1031032524 /nfs/dbraw/zinc/03/25/24/1031032524.db2.gz PYDFCCBGTHGKAS-PXNSSMCTSA-N 2 0 324.468 3.825 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000927036798 1031045951 /nfs/dbraw/zinc/04/59/51/1031045951.db2.gz GDDAFCRBNDDCTA-KGXSXCIVSA-N 2 0 314.473 3.897 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)nc1 ZINC000927039932 1031048918 /nfs/dbraw/zinc/04/89/18/1031048918.db2.gz XXMAOYRCFCRHDR-KTAKPFMOSA-N 2 0 307.869 3.793 20 0 DHADRP CC(C)O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000292563078 1031077139 /nfs/dbraw/zinc/07/71/39/1031077139.db2.gz RTQYXCIWJQIJQR-UYAOXDASSA-N 2 0 316.489 3.570 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000261959759 1031083746 /nfs/dbraw/zinc/08/37/46/1031083746.db2.gz PBBDIDOJFOTOJT-CYBMUJFWSA-N 2 0 322.880 3.688 20 0 DHADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262091161 1031094188 /nfs/dbraw/zinc/09/41/88/1031094188.db2.gz AGPFQTSEBHQZEK-LJQANCHMSA-N 2 0 317.477 3.519 20 0 DHADRP COC1(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCCC1 ZINC000359726373 1031113435 /nfs/dbraw/zinc/11/34/35/1031113435.db2.gz DTYHWBLPHHUJFI-UHFFFAOYSA-N 2 0 304.478 3.576 20 0 DHADRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc2ccccc21 ZINC000648585362 1031137635 /nfs/dbraw/zinc/13/76/35/1031137635.db2.gz GRNWNABEIXIPPL-MRXNPFEDSA-N 2 0 312.457 3.668 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000359799402 1031143974 /nfs/dbraw/zinc/14/39/74/1031143974.db2.gz WGHOJHULCCCHOA-QGZVFWFLSA-N 2 0 304.478 3.577 20 0 DHADRP CC[C@@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000359941534 1031208092 /nfs/dbraw/zinc/20/80/92/1031208092.db2.gz KOUMYTHTRSRNRO-APWZRJJASA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162555501 1031234150 /nfs/dbraw/zinc/23/41/50/1031234150.db2.gz WRMMEKXUYVRPRD-HRAATJIYSA-N 2 0 324.468 3.650 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000321612201 1031243531 /nfs/dbraw/zinc/24/35/31/1031243531.db2.gz SKXAYWYKPYEDGU-FPOVZHCZSA-N 2 0 308.469 3.902 20 0 DHADRP CC[C@@H](C[NH2+][C@@H]1CCCOc2cc(C)ccc21)N1CCCC1 ZINC000360079912 1031266872 /nfs/dbraw/zinc/26/68/72/1031266872.db2.gz VAJDGEVCYXYWHU-FUHWJXTLSA-N 2 0 302.462 3.673 20 0 DHADRP Cc1ccc2cc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)ccc2n1 ZINC000360164810 1031300497 /nfs/dbraw/zinc/30/04/97/1031300497.db2.gz ITEKJXLURRIGJU-UHFFFAOYSA-N 2 0 311.473 3.755 20 0 DHADRP FCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000777710215 1031393629 /nfs/dbraw/zinc/39/36/29/1031393629.db2.gz XGTPILZQJCLSOW-IEBWSBKVSA-N 2 0 302.437 3.605 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Cl ZINC000844923697 1031401028 /nfs/dbraw/zinc/40/10/28/1031401028.db2.gz HKLGAANVUXKLOU-CYBMUJFWSA-N 2 0 310.869 3.697 20 0 DHADRP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000872020123 1031403386 /nfs/dbraw/zinc/40/33/86/1031403386.db2.gz DOEAGBLIJOZJOZ-HNNXBMFYSA-N 2 0 302.384 3.959 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872023131 1031405981 /nfs/dbraw/zinc/40/59/81/1031405981.db2.gz PBXVDFLWGVXUAR-ZWKOTPCHSA-N 2 0 308.510 3.722 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(O)c1F ZINC000872021903 1031406310 /nfs/dbraw/zinc/40/63/10/1031406310.db2.gz FVQZOSIRMUAFKG-GJZGRUSLSA-N 2 0 308.441 3.694 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2cccs2)CCN1Cc1ccccc1 ZINC000379636690 1031416217 /nfs/dbraw/zinc/41/62/17/1031416217.db2.gz XOCBDUYIFFVILL-NVXWUHKLSA-N 2 0 300.471 3.891 20 0 DHADRP C[C@@H]1CC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@H](C)O1 ZINC000379635987 1031417059 /nfs/dbraw/zinc/41/70/59/1031417059.db2.gz WQBZORRLTLTGBZ-YWTNHNAXSA-N 2 0 316.489 3.585 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000872032883 1031417197 /nfs/dbraw/zinc/41/71/97/1031417197.db2.gz BIPLUWMTNWGQFB-OALUTQOASA-N 2 0 318.505 3.822 20 0 DHADRP COCCC[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536826417 1031448500 /nfs/dbraw/zinc/44/85/00/1031448500.db2.gz LCVJZISEYKPGOB-NLWGTHIKSA-N 2 0 318.505 3.692 20 0 DHADRP CC[C@@H](CCC(F)(F)F)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000872073644 1031468927 /nfs/dbraw/zinc/46/89/27/1031468927.db2.gz UDCHSCISVBWMCB-LBPRGKRZSA-N 2 0 312.445 3.525 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000035180108 1031478772 /nfs/dbraw/zinc/47/87/72/1031478772.db2.gz YCQSJOLMJNMHJM-AWEZNQCLSA-N 2 0 312.885 3.949 20 0 DHADRP Cc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)sc1C(C)(C)C ZINC000929282121 1031483411 /nfs/dbraw/zinc/48/34/11/1031483411.db2.gz HBHWUXPCBOEEOE-UHFFFAOYSA-N 2 0 309.523 3.523 20 0 DHADRP CO[C@H]1CCC[C@@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000537025910 1031491134 /nfs/dbraw/zinc/49/11/34/1031491134.db2.gz NHACWULBCFXOFN-MOPGFXCFSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)C1 ZINC000872110239 1031500065 /nfs/dbraw/zinc/50/00/65/1031500065.db2.gz WZNJHWVTNCWSMU-JVJLKXRTSA-N 2 0 320.521 3.577 20 0 DHADRP COc1cccc(C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423248625 1031508045 /nfs/dbraw/zinc/50/80/45/1031508045.db2.gz NRCPKVPJGHERBJ-UWJYYQICSA-N 2 0 324.468 3.568 20 0 DHADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(C4([NH3+])CC4)cc3)c2c1 ZINC001171169668 1031508761 /nfs/dbraw/zinc/50/87/61/1031508761.db2.gz QWCXFJQAPCMGJE-OAHLLOKOSA-N 2 0 319.452 3.776 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423252081 1031510048 /nfs/dbraw/zinc/51/00/48/1031510048.db2.gz TVIODQWQYVYBDH-QAPCUYQASA-N 2 0 302.462 3.613 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423371544 1031521407 /nfs/dbraw/zinc/52/14/07/1031521407.db2.gz GOLGUWRKKKLBBT-FPMFFAJLSA-N 2 0 316.367 3.548 20 0 DHADRP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2)c1 ZINC000666858130 1031523119 /nfs/dbraw/zinc/52/31/19/1031523119.db2.gz YXSIALHLBHQPNJ-QGZVFWFLSA-N 2 0 314.404 3.850 20 0 DHADRP Cc1ccncc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157184 1031536138 /nfs/dbraw/zinc/53/61/38/1031536138.db2.gz NIVCYWNOGKVDPL-APWZRJJASA-N 2 0 301.478 3.510 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1csc(-c2cccs2)n1 ZINC000872155583 1031537684 /nfs/dbraw/zinc/53/76/84/1031537684.db2.gz RIXPAJAKIAZAEL-UHFFFAOYSA-N 2 0 309.504 3.823 20 0 DHADRP Cc1ncccc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157240 1031540843 /nfs/dbraw/zinc/54/08/43/1031540843.db2.gz NUBMGVBYJOBZRK-APWZRJJASA-N 2 0 301.478 3.510 20 0 DHADRP C[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000537286072 1031553270 /nfs/dbraw/zinc/55/32/70/1031553270.db2.gz FTBYKNOKZYPLKH-KRWDZBQOSA-N 2 0 300.490 3.862 20 0 DHADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000537294411 1031559105 /nfs/dbraw/zinc/55/91/05/1031559105.db2.gz CQDMURQATHHZSB-RCCFBDPRSA-N 2 0 310.526 3.536 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000537302971 1031561881 /nfs/dbraw/zinc/56/18/81/1031561881.db2.gz ALQXBZMHXOKNSX-LBPRGKRZSA-N 2 0 313.272 3.776 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C12CCCC2 ZINC000537306109 1031563508 /nfs/dbraw/zinc/56/35/08/1031563508.db2.gz DXRYNYJUMMNEQW-GBESFXJTSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCc2cccnc2)C1 ZINC000929642876 1031566466 /nfs/dbraw/zinc/56/64/66/1031566466.db2.gz BNWAYIRHCLWGKD-UYAOXDASSA-N 2 0 315.505 3.601 20 0 DHADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000293718111 1031587514 /nfs/dbraw/zinc/58/75/14/1031587514.db2.gz NIXZQNNRHXRMDX-LJQANCHMSA-N 2 0 301.478 3.789 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000537398849 1031590301 /nfs/dbraw/zinc/59/03/01/1031590301.db2.gz MDBCBEHSYVGFHT-UWVAXJGDSA-N 2 0 315.505 3.813 20 0 DHADRP Fc1ccc(F)c(C[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000361063425 1031706043 /nfs/dbraw/zinc/70/60/43/1031706043.db2.gz QFKGZFWMRMBXPI-UHFFFAOYSA-N 2 0 319.399 3.854 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC1CC[NH+](C)CC1)CCCO2 ZINC000361067308 1031708194 /nfs/dbraw/zinc/70/81/94/1031708194.db2.gz ICHMXKPSCCXJTA-LJQANCHMSA-N 2 0 316.489 3.839 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000361112932 1031732656 /nfs/dbraw/zinc/73/26/56/1031732656.db2.gz WIZCVKJOJMFXBC-HXUWFJFHSA-N 2 0 310.441 3.621 20 0 DHADRP c1cc(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cs1 ZINC000873210142 1031761249 /nfs/dbraw/zinc/76/12/49/1031761249.db2.gz ZUNVVXMHYKCGAN-UHFFFAOYSA-N 2 0 318.511 3.835 20 0 DHADRP CC1(C)C[C@]1([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873212063 1031761560 /nfs/dbraw/zinc/76/15/60/1031761560.db2.gz GJQWDOUQMKDZOF-IBGZPJMESA-N 2 0 312.482 3.809 20 0 DHADRP CC[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(C)cc1 ZINC000873212997 1031761658 /nfs/dbraw/zinc/76/16/58/1031761658.db2.gz TYHKTEARDLRCHQ-KRWDZBQOSA-N 2 0 300.471 3.943 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873221310 1031764394 /nfs/dbraw/zinc/76/43/94/1031764394.db2.gz PFUQXHVQJNDGHI-MRXNPFEDSA-N 2 0 324.468 3.840 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873222374 1031764729 /nfs/dbraw/zinc/76/47/29/1031764729.db2.gz PFUQXHVQJNDGHI-INIZCTEOSA-N 2 0 324.468 3.840 20 0 DHADRP COCCC1([NH2+]Cc2ccc(-c3ccccc3)cc2)CC[NH2+]CC1 ZINC000873225423 1031765546 /nfs/dbraw/zinc/76/55/46/1031765546.db2.gz YEJVJLBVFURMFY-UHFFFAOYSA-N 2 0 324.468 3.602 20 0 DHADRP FC(F)Oc1cccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873232525 1031766360 /nfs/dbraw/zinc/76/63/60/1031766360.db2.gz GDBMBGMEVSUUHU-INIZCTEOSA-N 2 0 324.415 3.690 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1nc(-c2ccccc2)cs1 ZINC000873231622 1031766885 /nfs/dbraw/zinc/76/68/85/1031766885.db2.gz SREVSUVGBBJERB-UHFFFAOYSA-N 2 0 303.475 3.761 20 0 DHADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232864 1031767888 /nfs/dbraw/zinc/76/78/88/1031767888.db2.gz OVAJDVHMEMWCIX-ZLQZBKBYSA-N 2 0 314.473 3.610 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000873245257 1031771208 /nfs/dbraw/zinc/77/12/08/1031771208.db2.gz MQBUAZDQVJJSSL-DOMZBBRYSA-N 2 0 308.466 3.730 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(OCc2ccccc2)c1 ZINC000873254234 1031775529 /nfs/dbraw/zinc/77/55/29/1031775529.db2.gz OEYHBRIQXTZLHM-VDZJLULYSA-N 2 0 310.441 3.654 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258185 1031776388 /nfs/dbraw/zinc/77/63/88/1031776388.db2.gz XNLBMVDPRWINQP-LERXQTSPSA-N 2 0 301.261 3.641 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000873267833 1031781190 /nfs/dbraw/zinc/78/11/90/1031781190.db2.gz KJACYVJSZPODLX-IUODEOHRSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC[NH2+]CC1 ZINC000873269358 1031781569 /nfs/dbraw/zinc/78/15/69/1031781569.db2.gz GEQUOTRAIOHNED-MRXNPFEDSA-N 3 0 323.569 3.643 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269988 1031782707 /nfs/dbraw/zinc/78/27/07/1031782707.db2.gz VZAFVYMSJFTDAN-CHWSQXEVSA-N 2 0 314.395 3.614 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+][C@@H](C)C3CC[NH2+]CC3)ccc2c1 ZINC000873268985 1031782945 /nfs/dbraw/zinc/78/29/45/1031782945.db2.gz BNVWAIQJGADZKM-LSDHHAIUSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273602 1031783553 /nfs/dbraw/zinc/78/35/53/1031783553.db2.gz JFDHHFTWRCASDX-KBUPBQIOSA-N 2 0 304.400 3.784 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000873272248 1031783872 /nfs/dbraw/zinc/78/38/72/1031783872.db2.gz QWTHAAQGDYTESA-KBPBESRZSA-N 2 0 315.486 3.849 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CCCS2 ZINC000873273255 1031784220 /nfs/dbraw/zinc/78/42/20/1031784220.db2.gz ZPFAPKZHNRFVLA-SUMWQHHRSA-N 2 0 320.502 3.600 20 0 DHADRP C1=C[C@H](CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000873281217 1031787148 /nfs/dbraw/zinc/78/71/48/1031787148.db2.gz HCUDCCDMJJVMIC-ILZDJORESA-N 2 0 312.457 3.578 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000873290105 1031789253 /nfs/dbraw/zinc/78/92/53/1031789253.db2.gz OBIBBCSPDFNTBX-WMZOPIPTSA-N 2 0 324.468 3.649 20 0 DHADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000777911837 1031836930 /nfs/dbraw/zinc/83/69/30/1031836930.db2.gz PONJJPOWLRSJIP-GOSISDBHSA-N 2 0 306.881 3.991 20 0 DHADRP Cc1nocc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000294268341 1031907400 /nfs/dbraw/zinc/90/74/00/1031907400.db2.gz VJGYVWYSGVVIHQ-OAHLLOKOSA-N 2 0 313.445 3.647 20 0 DHADRP Cc1ccc(C)c([C@@H]2C[N@H+](CCCCCC[NH3+])[C@H](C)CO2)c1 ZINC000846219334 1031933677 /nfs/dbraw/zinc/93/36/77/1031933677.db2.gz OQMJUSYOBDLJRK-MJGOQNOKSA-N 2 0 304.478 3.584 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534499 1032054114 /nfs/dbraw/zinc/05/41/14/1032054114.db2.gz PYLNMGGJYFWOIC-QWHCGFSZSA-N 2 0 300.368 3.698 20 0 DHADRP CC1(C)CC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)O1 ZINC001172653499 1033305944 /nfs/dbraw/zinc/30/59/44/1033305944.db2.gz KKEOQRKYLYYPOT-WKILWMFISA-N 2 0 308.510 3.705 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC001172716245 1033325126 /nfs/dbraw/zinc/32/51/26/1033325126.db2.gz PGSUFMDOLLGIMN-JEBQAFNWSA-N 2 0 306.881 3.516 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172724201 1033330327 /nfs/dbraw/zinc/33/03/27/1033330327.db2.gz LKXJSPNQQWFXGJ-GOSISDBHSA-N 2 0 318.892 3.615 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(N2CCCC2)c1 ZINC000539380449 1033339513 /nfs/dbraw/zinc/33/95/13/1033339513.db2.gz SONGWYUYMLTNNV-HKUYNNGSSA-N 2 0 315.505 3.812 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000643522260 1033340190 /nfs/dbraw/zinc/34/01/90/1033340190.db2.gz KOSLKLAYIVTBQV-RYRKJORJSA-N 2 0 320.452 3.592 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000643523114 1033347917 /nfs/dbraw/zinc/34/79/17/1033347917.db2.gz WVMAUXDWMLQITQ-FUHWJXTLSA-N 2 0 302.462 3.755 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)CC2 ZINC001172833061 1033395347 /nfs/dbraw/zinc/39/53/47/1033395347.db2.gz VUCSTPYCMUBGOW-HXUWFJFHSA-N 2 0 312.501 3.706 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CC2 ZINC001172833297 1033395941 /nfs/dbraw/zinc/39/59/41/1033395941.db2.gz XLZIWPJOYOADBD-LPHOPBHVSA-N 2 0 302.506 3.843 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)CC2 ZINC001172836763 1033399382 /nfs/dbraw/zinc/39/93/82/1033399382.db2.gz XBXNEQMVOKRSFX-XLIONFOSSA-N 2 0 300.490 3.706 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000877684320 1033409260 /nfs/dbraw/zinc/40/92/60/1033409260.db2.gz LYIUMXRUCISGAE-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C)CC2 ZINC001172840034 1033410178 /nfs/dbraw/zinc/41/01/78/1033410178.db2.gz YVEGHLAOJZJAAL-NSISKUIASA-N 2 0 300.490 3.561 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3cnccc3c1)CC2 ZINC000877684297 1033410995 /nfs/dbraw/zinc/41/09/95/1033410995.db2.gz KVNBCXDSMWBIAS-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(O)c1F ZINC000927039692 1033413923 /nfs/dbraw/zinc/41/39/23/1033413923.db2.gz VSICAQNLQDRZPI-VNSJNIRKSA-N 2 0 306.425 3.589 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000927039924 1033417877 /nfs/dbraw/zinc/41/78/77/1033417877.db2.gz XPPSATVBFVDFPZ-LSJNQWAISA-N 2 0 302.462 3.753 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001172846629 1033417890 /nfs/dbraw/zinc/41/78/90/1033417890.db2.gz WJCUBMKCMTYVGY-ZIAGYGMSSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001172853374 1033423790 /nfs/dbraw/zinc/42/37/90/1033423790.db2.gz KTZSMHVAGJEQRF-ZDUSSCGKSA-N 2 0 312.860 3.684 20 0 DHADRP Cc1nc(C)c(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000877767202 1033440341 /nfs/dbraw/zinc/44/03/41/1033440341.db2.gz CALDLGZCYWTSTF-UHFFFAOYSA-N 2 0 309.523 3.560 20 0 DHADRP CC(C)C[N@@H+](Cc1ncc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000877767353 1033440508 /nfs/dbraw/zinc/44/05/08/1033440508.db2.gz FPWOBYSYDNLNBK-UHFFFAOYSA-N 2 0 315.914 3.596 20 0 DHADRP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)CSc3ccc(Cl)cc3)C[C@H]2C1 ZINC001172885614 1033458242 /nfs/dbraw/zinc/45/82/42/1033458242.db2.gz QYDZFRODNRPXAC-RBSFLKMASA-N 2 0 324.921 3.704 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)c(Cl)cc1Cl ZINC000643533708 1033463435 /nfs/dbraw/zinc/46/34/35/1033463435.db2.gz CDQKTHKQXMMQBJ-YMTOWFKASA-N 2 0 317.235 3.925 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1F ZINC000643535418 1033464871 /nfs/dbraw/zinc/46/48/71/1033464871.db2.gz MDSCJWRHKKZPLT-CVEARBPZSA-N 2 0 310.844 3.908 20 0 DHADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1OC ZINC000643534804 1033468669 /nfs/dbraw/zinc/46/86/69/1033468669.db2.gz DAHRCAJEYUSDTI-ZBFHGGJFSA-N 2 0 308.853 3.531 20 0 DHADRP CO[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001172929666 1033473887 /nfs/dbraw/zinc/47/38/87/1033473887.db2.gz ORMPUYTWVBARMP-IRXDYDNUSA-N 2 0 322.880 3.547 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001172929669 1033475632 /nfs/dbraw/zinc/47/56/32/1033475632.db2.gz ORMPUYTWVBARMP-SJORKVTESA-N 2 0 322.880 3.547 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC001172938568 1033477876 /nfs/dbraw/zinc/47/78/76/1033477876.db2.gz LYPNKRDDGZYYEZ-WOJBJXKFSA-N 2 0 316.489 3.540 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000877834798 1033478506 /nfs/dbraw/zinc/47/85/06/1033478506.db2.gz ZMRZNRCOWXZFKR-DZGCQCFKSA-N 2 0 300.437 3.807 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc2cc(OC)ccc2c1 ZINC000643537406 1033478725 /nfs/dbraw/zinc/47/87/25/1033478725.db2.gz HBKXLLVRCBRIFK-JENIJYKNSA-N 2 0 316.420 3.589 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173044326 1033509607 /nfs/dbraw/zinc/50/96/07/1033509607.db2.gz BIEADEXTOJOINW-UAPYVXQJSA-N 2 0 322.537 3.968 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1SC ZINC000152453437 1033523734 /nfs/dbraw/zinc/52/37/34/1033523734.db2.gz KHCLEPJHGHJNGY-KBPBESRZSA-N 2 0 320.502 3.552 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(OC)c(F)c2)CC1 ZINC001173103732 1033539854 /nfs/dbraw/zinc/53/98/54/1033539854.db2.gz QJZRTWBOUBOPMS-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP CCOc1cc(C[NH2+]C2CCC([NH+](CC)CC)CC2)ccc1O ZINC001173106691 1033542864 /nfs/dbraw/zinc/54/28/64/1033542864.db2.gz DJVRUOOWMVJHPS-UHFFFAOYSA-N 2 0 320.477 3.534 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC001173104495 1033542944 /nfs/dbraw/zinc/54/29/44/1033542944.db2.gz QRVQRECFPGDWNS-ACBHZAAOSA-N 2 0 301.478 3.775 20 0 DHADRP CC[NH+](CC)C1CCC(n2c3ccccc3nc2[C@H](C)[NH3+])CC1 ZINC001173104610 1033543488 /nfs/dbraw/zinc/54/34/88/1033543488.db2.gz SISWBVIKQZPTGA-FHERZECASA-N 2 0 314.477 3.882 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000877988533 1033545094 /nfs/dbraw/zinc/54/50/94/1033545094.db2.gz HPRWQQGWOQASJP-PMACEKPBSA-N 2 0 316.489 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001173108396 1033545435 /nfs/dbraw/zinc/54/54/35/1033545435.db2.gz JGMOBZGPGVMBDZ-CTWPCTMYSA-N 2 0 301.478 3.872 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC(c3ccncc3)CC2)CC1 ZINC001173112301 1033549248 /nfs/dbraw/zinc/54/92/48/1033549248.db2.gz UCQMDUCYMOAAJD-UHFFFAOYSA-N 2 0 315.505 3.914 20 0 DHADRP CCCOC1CCC([N@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001173099211 1033563626 /nfs/dbraw/zinc/56/36/26/1033563626.db2.gz BXLSGSFMFALCSJ-UHFFFAOYSA-N 2 0 310.526 3.776 20 0 DHADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878048465 1033567916 /nfs/dbraw/zinc/56/79/16/1033567916.db2.gz ANESLNNIANSHFM-RTBURBONSA-N 2 0 320.521 3.676 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198628 1033590771 /nfs/dbraw/zinc/59/07/71/1033590771.db2.gz XOYHBIYOGYDNSI-PGYGNJIDSA-N 2 0 316.489 3.698 20 0 DHADRP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001173270628 1033639997 /nfs/dbraw/zinc/63/99/97/1033639997.db2.gz OGLMIOCEFWIBSU-YJBOKZPZSA-N 2 0 304.453 3.740 20 0 DHADRP CC[C@H]1CC[C@@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269998 1033640991 /nfs/dbraw/zinc/64/09/91/1033640991.db2.gz MBUQPPKCOGTDLR-DSLXNQLJSA-N 2 0 301.478 3.732 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878329388 1033661727 /nfs/dbraw/zinc/66/17/27/1033661727.db2.gz YCAOPHMYICURST-KRWDZBQOSA-N 2 0 310.526 3.634 20 0 DHADRP CC[C@@H]1CC[C@H]([N@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C1 ZINC001173279835 1033672007 /nfs/dbraw/zinc/67/20/07/1033672007.db2.gz ROWAKVOQUBFDOD-IXDOHACOSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)ccc1F ZINC000127110705 1033700315 /nfs/dbraw/zinc/70/03/15/1033700315.db2.gz WVGOBFHARFPCAN-GCVQQVDUSA-N 2 0 315.230 3.509 20 0 DHADRP CC[N@@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)C1 ZINC001173366970 1033717528 /nfs/dbraw/zinc/71/75/28/1033717528.db2.gz CNUMQOJAZDDOLY-OAHLLOKOSA-N 2 0 315.436 3.514 20 0 DHADRP CC[N@@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001173367735 1033720684 /nfs/dbraw/zinc/72/06/84/1033720684.db2.gz JIFWNIJVFNLJKZ-INIZCTEOSA-N 2 0 315.436 3.514 20 0 DHADRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC[C@H]1F ZINC001206199079 1033723347 /nfs/dbraw/zinc/72/33/47/1033723347.db2.gz NQPXAHZGZXETNU-WOJBJXKFSA-N 2 0 312.432 3.539 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)C[C@@](C)(C[NH3+])C1 ZINC001173473645 1033735322 /nfs/dbraw/zinc/73/53/22/1033735322.db2.gz GVLVTYLKDLGVNG-DNVCBOLYSA-N 2 0 322.443 3.565 20 0 DHADRP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C(C)(C)c1ccccc1 ZINC000479516200 1033793230 /nfs/dbraw/zinc/79/32/30/1033793230.db2.gz UHOOWLDJFLRSGB-IVMQYODDSA-N 2 0 300.490 3.959 20 0 DHADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000479518784 1033797794 /nfs/dbraw/zinc/79/77/94/1033797794.db2.gz SFOYXHXSZJDWMK-OPQOLIRYSA-N 2 0 308.510 3.577 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccnc(F)c2C)cc1 ZINC000862264424 1033803850 /nfs/dbraw/zinc/80/38/50/1033803850.db2.gz QPGTZRHGCRTCJK-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccnc(F)c2C)c1 ZINC000862273195 1033807270 /nfs/dbraw/zinc/80/72/70/1033807270.db2.gz DFHWBQVCIGZUTO-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP C[NH+](C)CCC[N@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173685589 1033829878 /nfs/dbraw/zinc/82/98/78/1033829878.db2.gz DJOYQMMSTRWGRV-UHFFFAOYSA-N 2 0 300.490 3.697 20 0 DHADRP Cc1cnc(CC[NH3+])n1C1CCC2(CCc3ccccc32)CC1 ZINC001173687451 1033831336 /nfs/dbraw/zinc/83/13/36/1033831336.db2.gz NRWWQNUUSYTMBW-UHFFFAOYSA-N 2 0 309.457 3.692 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554046626 1033934605 /nfs/dbraw/zinc/93/46/05/1033934605.db2.gz CPXNFLWLBWBJCH-HZDRLRHHSA-N 2 0 312.501 3.921 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)C1 ZINC000554140047 1033985148 /nfs/dbraw/zinc/98/51/48/1033985148.db2.gz QONXJQXXCLKLIR-XCAIRMDXSA-N 2 0 318.427 3.960 20 0 DHADRP CCc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000339050374 1033989046 /nfs/dbraw/zinc/98/90/46/1033989046.db2.gz DHQMNABRTDNZAB-UHFFFAOYSA-N 2 0 315.505 3.732 20 0 DHADRP CC[N@H+](CCC1CCN(c2cc[nH+]cc2C)CC1)CC(C)C ZINC000480109543 1034072259 /nfs/dbraw/zinc/07/22/59/1034072259.db2.gz NNOMUQDOXURHLN-UHFFFAOYSA-N 2 0 303.494 3.974 20 0 DHADRP c1coc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000898521638 1034083415 /nfs/dbraw/zinc/08/34/15/1034083415.db2.gz DJYPWQJFULAUIC-CEXWTWQISA-N 2 0 310.441 3.670 20 0 DHADRP CC(C)C[N@@H+](Cc1ccnc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000879702324 1034093720 /nfs/dbraw/zinc/09/37/20/1034093720.db2.gz KHMBUVQLWSTHDK-UHFFFAOYSA-N 2 0 309.885 3.535 20 0 DHADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(SC(F)F)cc1 ZINC000863542613 1034124198 /nfs/dbraw/zinc/12/41/98/1034124198.db2.gz QZHDJFVCWOYBMQ-RISCZKNCSA-N 2 0 312.429 3.937 20 0 DHADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1SC(C)(C)C ZINC000863547993 1034125553 /nfs/dbraw/zinc/12/55/53/1034125553.db2.gz SYNTWQQDOFZNDK-CQSZACIVSA-N 2 0 310.507 3.593 20 0 DHADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000879951126 1034164855 /nfs/dbraw/zinc/16/48/55/1034164855.db2.gz HHHCVNWMTWGLIC-OAHLLOKOSA-N 2 0 300.437 3.762 20 0 DHADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952161 1034168508 /nfs/dbraw/zinc/16/85/08/1034168508.db2.gz UCSCMMXDQUEFHF-LJQANCHMSA-N 2 0 321.553 3.590 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000178174119 1034215486 /nfs/dbraw/zinc/21/54/86/1034215486.db2.gz PSTOYSPTSCGUAN-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP CC1([NH+]2CCCC2)CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000864088471 1034286843 /nfs/dbraw/zinc/28/68/43/1034286843.db2.gz DDMVJKGRXNTUDV-UHFFFAOYSA-N 2 0 313.367 3.555 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCCc2ccccc2)C1 ZINC000480552797 1034305696 /nfs/dbraw/zinc/30/56/96/1034305696.db2.gz IVITWVNSGPMPMU-HXUWFJFHSA-N 2 0 300.490 3.673 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000480602253 1034346373 /nfs/dbraw/zinc/34/63/73/1034346373.db2.gz BIJFIHWHUYEPPW-IBGZPJMESA-N 2 0 304.453 3.915 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000480606843 1034349259 /nfs/dbraw/zinc/34/92/59/1034349259.db2.gz IPLLUXPSLYMFNP-BRWVUGGUSA-N 2 0 316.489 3.735 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000480630570 1034352907 /nfs/dbraw/zinc/35/29/07/1034352907.db2.gz KEXJADJRDCFYIO-VQIMIIECSA-N 2 0 316.489 3.927 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000480631579 1034367370 /nfs/dbraw/zinc/36/73/70/1034367370.db2.gz PQPNPDOAAGJODK-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCCCC1 ZINC000480659337 1034377871 /nfs/dbraw/zinc/37/78/71/1034377871.db2.gz FKEURINFIVDCFV-IEBWSBKVSA-N 2 0 322.537 3.968 20 0 DHADRP Cc1c[nH+]ccc1Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001174538812 1034453534 /nfs/dbraw/zinc/45/35/34/1034453534.db2.gz ROIHZWVEFFZIBI-HXUWFJFHSA-N 2 0 321.468 3.899 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250515013 1034458293 /nfs/dbraw/zinc/45/82/93/1034458293.db2.gz UVUUCYGFRYBBQI-RHSMWYFYSA-N 2 0 300.471 3.865 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184301469 1034462382 /nfs/dbraw/zinc/46/23/82/1034462382.db2.gz LQLIWZHUFWCESG-GOSISDBHSA-N 2 0 323.484 3.953 20 0 DHADRP CCC(CC)[N@@H+](C1CCN(CC2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168364630 1034471802 /nfs/dbraw/zinc/47/18/02/1034471802.db2.gz FZYBYDKZSWBMCA-UAPYVXQJSA-N 2 0 321.553 3.621 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CCc2ccccc2)C(C)C)C1 ZINC000481016743 1034550658 /nfs/dbraw/zinc/55/06/58/1034550658.db2.gz BITXTXRVNABKRP-WOJBJXKFSA-N 2 0 302.506 3.965 20 0 DHADRP C[C@H](NCc1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769293 1034569602 /nfs/dbraw/zinc/56/96/02/1034569602.db2.gz TWQCQJZEYYKTBG-KBPBESRZSA-N 2 0 308.416 3.707 20 0 DHADRP Fc1ccc(SCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339072769 1034594976 /nfs/dbraw/zinc/59/49/76/1034594976.db2.gz ZAQRMTRPUAQMKN-JKSUJKDBSA-N 2 0 308.466 3.524 20 0 DHADRP C[C@H](CNc1cc[nH+]c2cc(C(F)(F)F)ccc12)C[NH+](C)C ZINC000489022349 1034595314 /nfs/dbraw/zinc/59/53/14/1034595314.db2.gz XLQQDHIMGPTHIA-LLVKDONJSA-N 2 0 311.351 3.863 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000481183818 1034637428 /nfs/dbraw/zinc/63/74/28/1034637428.db2.gz SOKHRVUXOMKPNM-VQIMIIECSA-N 2 0 318.480 3.957 20 0 DHADRP CC(C)[N@H+](C)CC1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865454997 1034656572 /nfs/dbraw/zinc/65/65/72/1034656572.db2.gz QUUQDKAXRUEIEJ-UHFFFAOYSA-N 2 0 315.383 3.657 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000187360960 1034703581 /nfs/dbraw/zinc/70/35/81/1034703581.db2.gz HBNOOQILGBGXDQ-FOIQADDNSA-N 2 0 311.473 3.705 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCCOc2ccccc2)C1 ZINC000187399163 1034705929 /nfs/dbraw/zinc/70/59/29/1034705929.db2.gz VGZHXSYWROVSHU-SFHVURJKSA-N 2 0 304.478 3.509 20 0 DHADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCc2cccnc21 ZINC000481344627 1034766801 /nfs/dbraw/zinc/76/68/01/1034766801.db2.gz SRMKWHYMNMNELD-RBUKOAKNSA-N 2 0 315.505 3.901 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000192634971 1034813788 /nfs/dbraw/zinc/81/37/88/1034813788.db2.gz FDOJIWQVCREJOB-HXUWFJFHSA-N 2 0 309.457 3.785 20 0 DHADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCCc2cccnc2)CC1 ZINC001175362486 1034953506 /nfs/dbraw/zinc/95/35/06/1034953506.db2.gz VMKJRBUGVOPDEW-HXUWFJFHSA-N 2 0 315.505 3.601 20 0 DHADRP CC[C@H](COC)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481732205 1034955396 /nfs/dbraw/zinc/95/53/96/1034955396.db2.gz FIGKBSMJBYKBJQ-LJQANCHMSA-N 2 0 304.478 3.577 20 0 DHADRP Cc1ccc([C@H]2CC[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000667971365 1035012539 /nfs/dbraw/zinc/01/25/39/1035012539.db2.gz MLSICTWGVNVIHB-SFHVURJKSA-N 2 0 318.424 3.565 20 0 DHADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481912860 1035032377 /nfs/dbraw/zinc/03/23/77/1035032377.db2.gz ZLKANCLQPAHEKJ-DZGCQCFKSA-N 2 0 314.395 3.710 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000482117271 1035057662 /nfs/dbraw/zinc/05/76/62/1035057662.db2.gz CJABSFDGFASKLN-IAGOWNOFSA-N 2 0 324.534 3.611 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000482132862 1035058791 /nfs/dbraw/zinc/05/87/91/1035058791.db2.gz IRUMKLVLZIZZNA-OXQOHEQNSA-N 2 0 316.489 3.828 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCCCC1 ZINC000482346858 1035084665 /nfs/dbraw/zinc/08/46/65/1035084665.db2.gz CKGMWVQQEYCERD-HXUWFJFHSA-N 2 0 323.569 3.599 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000482501910 1035123353 /nfs/dbraw/zinc/12/33/53/1035123353.db2.gz CKJHABLFPSKHSD-OAHLLOKOSA-N 2 0 321.484 3.664 20 0 DHADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000668063189 1035128017 /nfs/dbraw/zinc/12/80/17/1035128017.db2.gz GCIGDUNYANSNOZ-SFHVURJKSA-N 2 0 304.478 3.700 20 0 DHADRP CC(C)(C[NH2+]CCCCOc1ccccc1)C[NH+]1CCCC1 ZINC000483428277 1035269029 /nfs/dbraw/zinc/26/90/29/1035269029.db2.gz UVGBDAQYUKEGPQ-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000483820996 1035302228 /nfs/dbraw/zinc/30/22/28/1035302228.db2.gz MHTJARBMSIKPHG-QGZVFWFLSA-N 2 0 300.490 3.818 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000484293263 1035328359 /nfs/dbraw/zinc/32/83/59/1035328359.db2.gz KDBPKDFIAWRVRD-VQIMIIECSA-N 2 0 306.494 3.817 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000484313888 1035329274 /nfs/dbraw/zinc/32/92/74/1035329274.db2.gz VCFHETPFZZKWTF-RYPNDVFKSA-N 2 0 306.416 3.673 20 0 DHADRP CCCCCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC001177076679 1035348367 /nfs/dbraw/zinc/34/83/67/1035348367.db2.gz OXMHLPUHYKSNJT-UHFFFAOYSA-N 2 0 317.521 3.889 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC1(C)C ZINC001177117321 1035348672 /nfs/dbraw/zinc/34/86/72/1035348672.db2.gz QPHSJRMGBSGRSY-QGZVFWFLSA-N 2 0 318.505 3.825 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001177290738 1035360059 /nfs/dbraw/zinc/36/00/59/1035360059.db2.gz VQDRIFSANMMVQD-HOTGVXAUSA-N 2 0 308.466 3.526 20 0 DHADRP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001177416074 1035369217 /nfs/dbraw/zinc/36/92/17/1035369217.db2.gz HVFHNUILDXTANM-OALUTQOASA-N 2 0 302.506 3.967 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001177674010 1035385812 /nfs/dbraw/zinc/38/58/12/1035385812.db2.gz HJXGMSKPAMKGCM-APWZRJJASA-N 2 0 318.505 3.931 20 0 DHADRP CCCCN1CCCC[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001177743856 1035389951 /nfs/dbraw/zinc/38/99/51/1035389951.db2.gz OQIQGTUSAUKEFM-ROUUACIJSA-N 2 0 316.489 3.797 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)s2)[C@@H](C)C1 ZINC001177844464 1035395136 /nfs/dbraw/zinc/39/51/36/1035395136.db2.gz QZPSBOCMEKAMDA-MAUKXSAKSA-N 2 0 324.534 3.537 20 0 DHADRP Fc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1C(F)F ZINC000904296943 1035396228 /nfs/dbraw/zinc/39/62/28/1035396228.db2.gz DBGFTCJIUZETQV-BBRMVZONSA-N 2 0 312.379 3.727 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)C1 ZINC000904368212 1035405737 /nfs/dbraw/zinc/40/57/37/1035405737.db2.gz ODWPBTQONYFEDH-UFOWKFPKSA-N 2 0 318.464 3.611 20 0 DHADRP Cc1ccc(C)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904476972 1035418642 /nfs/dbraw/zinc/41/86/42/1035418642.db2.gz VQRGDWKUFKIRBJ-FPOVZHCZSA-N 2 0 322.452 3.649 20 0 DHADRP Cc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000904477020 1035418668 /nfs/dbraw/zinc/41/86/68/1035418668.db2.gz WJZXUYCZDONUKN-TZIWHRDSSA-N 2 0 322.452 3.649 20 0 DHADRP C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178867124 1035452505 /nfs/dbraw/zinc/45/25/05/1035452505.db2.gz CMXGCOZXROOQRQ-QFBILLFUSA-N 2 0 304.478 3.685 20 0 DHADRP FC(F)(F)c1cccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC001178916936 1035454854 /nfs/dbraw/zinc/45/48/54/1035454854.db2.gz RPCOYXAJLTVWBB-UHFFFAOYSA-N 2 0 305.303 3.643 20 0 DHADRP CC[C@@H](C)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001179104747 1035465277 /nfs/dbraw/zinc/46/52/77/1035465277.db2.gz AKPRNVJSYRATFD-OAHLLOKOSA-N 2 0 323.912 3.618 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629543858 1035564264 /nfs/dbraw/zinc/56/42/64/1035564264.db2.gz CRAPCNDBOZEHBB-HZPDHXFCSA-N 2 0 323.843 3.753 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC001180051974 1035576609 /nfs/dbraw/zinc/57/66/09/1035576609.db2.gz NMRBVBPLUQJXBM-GOSISDBHSA-N 2 0 302.462 3.564 20 0 DHADRP Brc1cccc2c1CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000223017527 1035598365 /nfs/dbraw/zinc/59/83/65/1035598365.db2.gz MDEJPYQEEYRCOI-MRXNPFEDSA-N 2 0 323.278 3.512 20 0 DHADRP C[C@@]1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCO1 ZINC001180208929 1035619195 /nfs/dbraw/zinc/61/91/95/1035619195.db2.gz UBBYIYKMFANELD-OALUTQOASA-N 2 0 308.510 3.534 20 0 DHADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1c1ccccc1 ZINC000535472071 1035651916 /nfs/dbraw/zinc/65/19/16/1035651916.db2.gz FNSBNZGCPRQSNF-HOJAQTOUSA-N 2 0 300.490 3.986 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(CC)CC ZINC000539497113 1035756091 /nfs/dbraw/zinc/75/60/91/1035756091.db2.gz QHIKCCSZRYDPFI-OKZBNKHCSA-N 2 0 310.526 3.680 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)CC1 ZINC001180839799 1035768106 /nfs/dbraw/zinc/76/81/06/1035768106.db2.gz ZTZSTYJRWVRESE-UZLBHIALSA-N 2 0 316.489 3.810 20 0 DHADRP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)cc1 ZINC000906159546 1035783966 /nfs/dbraw/zinc/78/39/66/1035783966.db2.gz SDAQTCRRYCQAOX-HNAYVOBHSA-N 2 0 322.456 3.552 20 0 DHADRP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205653793 1035843196 /nfs/dbraw/zinc/84/31/96/1035843196.db2.gz VNIAPNDCHBCHDH-STQMWFEESA-N 2 0 312.910 3.869 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000494747517 1035855583 /nfs/dbraw/zinc/85/55/83/1035855583.db2.gz ICXKUDPFWAKKAL-AOIWGVFYSA-N 2 0 304.478 3.617 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)OC ZINC001181316003 1035889752 /nfs/dbraw/zinc/88/97/52/1035889752.db2.gz TUDJVOLCCZKEBP-YSIASYRMSA-N 2 0 318.505 3.549 20 0 DHADRP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC001181674139 1035962568 /nfs/dbraw/zinc/96/25/68/1035962568.db2.gz OEHYAWYMZNCMRX-VQIMIIECSA-N 2 0 316.489 3.810 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001168469464 1035963603 /nfs/dbraw/zinc/96/36/03/1035963603.db2.gz TYPUCSRSLDXIFN-HNNXBMFYSA-N 2 0 304.453 3.611 20 0 DHADRP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](C2CCCC2)CC1)OC ZINC000540147117 1035984308 /nfs/dbraw/zinc/98/43/08/1035984308.db2.gz OJOBPZOHFPSKCY-IBGZPJMESA-N 2 0 310.526 3.824 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(C)(C)C)[C@@H](C)C1 ZINC000540175880 1035994864 /nfs/dbraw/zinc/99/48/64/1035994864.db2.gz ZNHROEHVFIDITE-WMZOPIPTSA-N 2 0 318.505 3.683 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cnccc2C)CC1)CC(C)C ZINC000540197160 1036008820 /nfs/dbraw/zinc/00/88/20/1036008820.db2.gz KWRXSGVESSKIFU-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP CCCCC[N@H+](C)CCC(=O)NCC[PH+](C(C)C)C(C)C ZINC001181868835 1036025151 /nfs/dbraw/zinc/02/51/51/1036025151.db2.gz MZOQSLJYJRJUKF-UHFFFAOYSA-N 2 0 316.470 3.913 20 0 DHADRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc2ccccc2[nH]1 ZINC000775623626 1036084162 /nfs/dbraw/zinc/08/41/62/1036084162.db2.gz SPCXMUJJRYPHBZ-CQSZACIVSA-N 2 0 308.429 3.594 20 0 DHADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000540596396 1036109223 /nfs/dbraw/zinc/10/92/23/1036109223.db2.gz UQSSHKUSNHJXKN-OKZBNKHCSA-N 2 0 310.526 3.680 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000540607994 1036114845 /nfs/dbraw/zinc/11/48/45/1036114845.db2.gz VZSWKOMPBPBJAV-MRXNPFEDSA-N 2 0 311.256 3.832 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000668586558 1036131539 /nfs/dbraw/zinc/13/15/39/1036131539.db2.gz DYZSVLSDZJEOKC-SJLPKXTDSA-N 2 0 316.489 3.710 20 0 DHADRP C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540961867 1036198974 /nfs/dbraw/zinc/19/89/74/1036198974.db2.gz KBRILPNFAUMUMU-OXJNMPFZSA-N 2 0 312.501 3.923 20 0 DHADRP CCC(CC)(CC)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000541090745 1036234675 /nfs/dbraw/zinc/23/46/75/1036234675.db2.gz WDQFRHREVVXPKO-OALUTQOASA-N 2 0 323.569 3.693 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491309404 1036252114 /nfs/dbraw/zinc/25/21/14/1036252114.db2.gz WSMPSWRSNIAHBR-MRXNPFEDSA-N 2 0 313.489 3.655 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464068874 1036261715 /nfs/dbraw/zinc/26/17/15/1036261715.db2.gz SHZJWBBDMFOQFL-ROUUACIJSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@@H](CCc1ccccc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195537001 1036278851 /nfs/dbraw/zinc/27/88/51/1036278851.db2.gz UHGACPAOSZODBG-SFHVURJKSA-N 2 0 309.457 3.615 20 0 DHADRP C[NH+]1CCC(CC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000229937587 1036328374 /nfs/dbraw/zinc/32/83/74/1036328374.db2.gz LZFKKSIPORXLTA-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486703940 1036367737 /nfs/dbraw/zinc/36/77/37/1036367737.db2.gz SWCGFBFGTMJPIW-UHFFFAOYSA-N 2 0 303.425 3.517 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000541590068 1036378794 /nfs/dbraw/zinc/37/87/94/1036378794.db2.gz YHZUMZXRSYNTGB-AZUAARDMSA-N 2 0 300.490 3.816 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000486949859 1036473831 /nfs/dbraw/zinc/47/38/31/1036473831.db2.gz JQENUASWKSYLHM-INIZCTEOSA-N 2 0 322.468 3.826 20 0 DHADRP C[C@@]1([NH3+])CCC[N@H+](CCc2ccc(Cl)cc2Cl)CC1 ZINC001205254979 1036519780 /nfs/dbraw/zinc/51/97/80/1036519780.db2.gz CZEDWXXITNXIMO-OAHLLOKOSA-N 2 0 301.261 3.739 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC3 ZINC000491364759 1036559549 /nfs/dbraw/zinc/55/95/49/1036559549.db2.gz AXOOOQXUGMNDHA-OAHLLOKOSA-N 2 0 313.489 3.511 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](CCc1c(F)cccc1Cl)CC2 ZINC001196789285 1036610050 /nfs/dbraw/zinc/61/00/50/1036610050.db2.gz JVSQTPBGRNVSIL-UHFFFAOYSA-N 2 0 324.871 3.829 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413355 1036627563 /nfs/dbraw/zinc/62/75/63/1036627563.db2.gz DUFPQQCGSHOYJX-BPQIPLTHSA-N 2 0 322.537 3.965 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000495421058 1036634641 /nfs/dbraw/zinc/63/46/41/1036634641.db2.gz NMEWJWXDJHICAG-KBAYOESNSA-N 2 0 322.537 3.965 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccncc2)CCN1Cc1ccccc1 ZINC000487304914 1036657300 /nfs/dbraw/zinc/65/73/00/1036657300.db2.gz BCYDOAXNNSYKDX-CZBMUTHLSA-N 2 0 321.468 3.738 20 0 DHADRP Cc1ncsc1CCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001197284308 1036736475 /nfs/dbraw/zinc/73/64/75/1036736475.db2.gz HNJSZIAIDVYBBM-UHFFFAOYSA-N 2 0 309.523 3.582 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000668817877 1036819021 /nfs/dbraw/zinc/81/90/21/1036819021.db2.gz BKDZOJYKXXZPIC-ZACQAIPSSA-N 2 0 310.551 3.618 20 0 DHADRP C[C@@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001205296668 1036838535 /nfs/dbraw/zinc/83/85/35/1036838535.db2.gz SHTPZHQEWBATTC-OCCSQVGLSA-N 2 0 315.288 3.843 20 0 DHADRP Cc1cccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1C ZINC001205088886 1036929320 /nfs/dbraw/zinc/92/93/20/1036929320.db2.gz LLPHBRBAFNDACX-UHFFFAOYSA-N 2 0 300.490 3.857 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000236762618 1036978555 /nfs/dbraw/zinc/97/85/55/1036978555.db2.gz HKAAFEKAAGQCNV-QGZVFWFLSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)C[NH+]1CCCCC1 ZINC000237334811 1037005346 /nfs/dbraw/zinc/00/53/46/1037005346.db2.gz RNLCSNVGTYVMLJ-DMKPSLHHSA-N 2 0 304.453 3.783 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001198450176 1037021639 /nfs/dbraw/zinc/02/16/39/1037021639.db2.gz LOZYBAZVQHWCRD-IBGZPJMESA-N 2 0 311.473 3.832 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1OC(F)F ZINC000915683245 1037133077 /nfs/dbraw/zinc/13/30/77/1037133077.db2.gz ZLIRRASHQPFMNK-CVEARBPZSA-N 2 0 324.415 3.621 20 0 DHADRP ClC1(Cl)C[C@H]1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000915714404 1037152751 /nfs/dbraw/zinc/15/27/51/1037152751.db2.gz CRMSCFDUZHGLIF-HNNXBMFYSA-N 2 0 319.320 3.768 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001199219145 1037216363 /nfs/dbraw/zinc/21/63/63/1037216363.db2.gz KNLUELUYSLDUQN-XFFZJAGNSA-N 2 0 310.441 3.560 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000310367940 1037229718 /nfs/dbraw/zinc/22/97/18/1037229718.db2.gz WCYOFHISOAFJHY-PXNSSMCTSA-N 2 0 324.468 3.838 20 0 DHADRP CC[C@H]1C[C@H](C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001199295685 1037236703 /nfs/dbraw/zinc/23/67/03/1037236703.db2.gz LHYZUJWPUUBFQZ-XLIONFOSSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc2ccccc2n1C ZINC001199336405 1037240796 /nfs/dbraw/zinc/24/07/96/1037240796.db2.gz NUZNCYTUILIUNL-QGZVFWFLSA-N 2 0 313.489 3.923 20 0 DHADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000775016350 1037401465 /nfs/dbraw/zinc/40/14/65/1037401465.db2.gz RCJNBGMSTUMERK-FQEVSTJZSA-N 2 0 314.473 3.845 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001168459074 1037436461 /nfs/dbraw/zinc/43/64/61/1037436461.db2.gz KFTFFTORGGHWAQ-BJZITVGISA-N 2 0 306.469 3.890 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC001200872504 1037452875 /nfs/dbraw/zinc/45/28/75/1037452875.db2.gz PWMKKBQLLQQIKJ-MOPGFXCFSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000348837395 1037538083 /nfs/dbraw/zinc/53/80/83/1037538083.db2.gz HQPFROHJTQFBHF-YOEHRIQHSA-N 2 0 315.486 3.788 20 0 DHADRP Fc1cccc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000490093559 1037613476 /nfs/dbraw/zinc/61/34/76/1037613476.db2.gz ZQXLXSXMLHXVKM-SFHVURJKSA-N 2 0 304.453 3.566 20 0 DHADRP Cc1nc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)cc2s1 ZINC000494090641 1037633712 /nfs/dbraw/zinc/63/37/12/1037633712.db2.gz SMKNYRWZNBXZDP-MRXNPFEDSA-N 2 0 317.502 3.815 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001201389215 1037648742 /nfs/dbraw/zinc/64/87/42/1037648742.db2.gz PSXHRZDPMNNZBG-HXUWFJFHSA-N 2 0 318.505 3.791 20 0 DHADRP c1csc(CN2C[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]3C2)c1 ZINC001201389675 1037649382 /nfs/dbraw/zinc/64/93/82/1037649382.db2.gz OFUXQTKPIRGBGV-CALCHBBNSA-N 2 0 304.503 3.692 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201568082 1037781677 /nfs/dbraw/zinc/78/16/77/1037781677.db2.gz MZQDVELXEGRVLS-QGZVFWFLSA-N 2 0 310.526 3.778 20 0 DHADRP CC(C)c1cccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201659403 1037841084 /nfs/dbraw/zinc/84/10/84/1037841084.db2.gz WIYXPDQLZBKQKM-UHFFFAOYSA-N 2 0 310.445 3.700 20 0 DHADRP CCCc1csc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000494311258 1038032389 /nfs/dbraw/zinc/03/23/89/1038032389.db2.gz MGQKMGGKOKGYBC-IYBDPMFKSA-N 2 0 323.550 3.943 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000126248715 1038049265 /nfs/dbraw/zinc/04/92/65/1038049265.db2.gz CAJDPVRRDUSZSY-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000126222303 1038050754 /nfs/dbraw/zinc/05/07/54/1038050754.db2.gz CYUSLMDQMSVTNW-ZDUSSCGKSA-N 2 0 312.404 3.589 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000126400279 1038063498 /nfs/dbraw/zinc/06/34/98/1038063498.db2.gz AFCOMVWOHQWBRL-FFZOFVMBSA-N 2 0 300.490 3.890 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000126680648 1038087069 /nfs/dbraw/zinc/08/70/69/1038087069.db2.gz CNXUCYDNSLZLKY-LPHOPBHVSA-N 2 0 316.489 3.955 20 0 DHADRP c1ccc2c(c1)CCC21CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168378734 1038154953 /nfs/dbraw/zinc/15/49/53/1038154953.db2.gz RXHDJEWYZNOXIX-UHFFFAOYSA-N 2 0 324.512 3.841 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571550691 1038166870 /nfs/dbraw/zinc/16/68/70/1038166870.db2.gz PIVGXDMEGYNNPK-CVEARBPZSA-N 2 0 321.534 3.983 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000571802364 1038254382 /nfs/dbraw/zinc/25/43/82/1038254382.db2.gz NQZMOSKWWQEJCQ-CYBMUJFWSA-N 2 0 304.384 3.534 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000571789672 1038254502 /nfs/dbraw/zinc/25/45/02/1038254502.db2.gz XPMRRCNIGNBNOY-INIZCTEOSA-N 2 0 304.478 3.762 20 0 DHADRP CSC1(C[NH2+][C@H](C)C[C@@H](C)CC(C)C)CC[NH+](C)CC1 ZINC000589349458 1038467289 /nfs/dbraw/zinc/46/72/89/1038467289.db2.gz BGRGOJMJEPOQOA-JKSUJKDBSA-N 2 0 300.556 3.864 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cccc(C)c2C)CC[NH+](C)CC1 ZINC000589348075 1038467544 /nfs/dbraw/zinc/46/75/44/1038467544.db2.gz LISAKIUHJDWWCC-MRXNPFEDSA-N 2 0 306.519 3.781 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001191454744 1038511329 /nfs/dbraw/zinc/51/13/29/1038511329.db2.gz QSTJXBMNYSMBIS-FUMNGEBKSA-N 2 0 324.553 3.882 20 0 DHADRP C[N@H+](CCc1ccc(Cl)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168392817 1038519140 /nfs/dbraw/zinc/51/91/40/1038519140.db2.gz UWUXUYKHVZJXJJ-UHFFFAOYSA-N 2 0 306.881 3.689 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](CCCC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629653422 1038612567 /nfs/dbraw/zinc/61/25/67/1038612567.db2.gz HAHQIEOCEAABDW-LSDHHAIUSA-N 2 0 306.416 3.806 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399424 1038625632 /nfs/dbraw/zinc/62/56/32/1038625632.db2.gz AWGVNBJZDYNRSL-QINHECLXSA-N 2 0 318.480 3.641 20 0 DHADRP C[C@H]1CC[N@H+](Cc2c(F)cccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603019 1038675470 /nfs/dbraw/zinc/67/54/70/1038675470.db2.gz MUDASNYMBGTBRO-NWDGAFQWSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)CC[C@H]1C[NH3+] ZINC001205603073 1038678060 /nfs/dbraw/zinc/67/80/60/1038678060.db2.gz NPHYHXPEBNCMBB-OLZOCXBDSA-N 2 0 315.288 3.843 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@H]1C[NH3+] ZINC001205603909 1038682261 /nfs/dbraw/zinc/68/22/61/1038682261.db2.gz SNWWZCIQZAFPNM-NEPJUHHUSA-N 2 0 318.358 3.651 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000573082239 1038785713 /nfs/dbraw/zinc/78/57/13/1038785713.db2.gz AMABXVIVPHZQJE-LIRRHRJNSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000603515636 1039035140 /nfs/dbraw/zinc/03/51/40/1039035140.db2.gz HDBBFZNXDVXSKT-GPMSIDNRSA-N 2 0 304.478 3.541 20 0 DHADRP CSC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000574126967 1039407770 /nfs/dbraw/zinc/40/77/70/1039407770.db2.gz IZCGWAZBJKMHKL-QGZVFWFLSA-N 2 0 310.551 3.860 20 0 DHADRP CCCOc1cccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000604771111 1039534196 /nfs/dbraw/zinc/53/41/96/1039534196.db2.gz XNPLJHBQWPIKDH-GOSISDBHSA-N 2 0 306.494 3.931 20 0 DHADRP Cc1ccc(F)c(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000604891070 1039573981 /nfs/dbraw/zinc/57/39/81/1039573981.db2.gz DPTMPJOOOYHRFU-IAGOWNOFSA-N 2 0 306.469 3.982 20 0 DHADRP CC[N@@H+](Cc1ccc(Cl)cc1Cl)CC1CC[NH2+]CC1 ZINC000094011252 1039588478 /nfs/dbraw/zinc/58/84/78/1039588478.db2.gz OCGOFZBQNVAHNX-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000574652312 1039754822 /nfs/dbraw/zinc/75/48/22/1039754822.db2.gz XIDBGUUJXVQOAM-NUJGCVRESA-N 2 0 315.848 3.684 20 0 DHADRP C[C@@H](CSCCF)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000595033232 1040039502 /nfs/dbraw/zinc/03/95/02/1040039502.db2.gz CJHFPKQSTHOICJ-GTPINHCMSA-N 2 0 316.530 3.710 20 0 DHADRP CSC1(C[NH2+]Cc2cccc(C(C)C)c2)CC[NH+](C)CC1 ZINC000596054187 1040291716 /nfs/dbraw/zinc/29/17/16/1040291716.db2.gz KNBWJFNSVIMXPD-UHFFFAOYSA-N 2 0 306.519 3.727 20 0 DHADRP C[C@@H](c1ccccn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821617 185344047 /nfs/dbraw/zinc/34/40/47/185344047.db2.gz OJXYJPBFYNVZPU-KRWDZBQOSA-N 2 0 324.472 3.776 20 0 DHADRP C[C@H](c1ccccn1)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)c1ccccn1 ZINC000091703393 193093804 /nfs/dbraw/zinc/09/38/04/193093804.db2.gz OZOWJCZUYZHANI-JKXAQMCXSA-N 2 0 324.472 3.719 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043284 193145198 /nfs/dbraw/zinc/14/51/98/193145198.db2.gz LBZPVTDAEHCOAU-SFTDATJTSA-N 2 0 321.468 3.665 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000020023791 182179652 /nfs/dbraw/zinc/17/96/52/182179652.db2.gz VKTBNAQNENPMGN-GFCCVEGCSA-N 2 0 302.384 3.944 20 0 DHADRP C[C@H]([NH2+]Cc1cnc2ccccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272664594 130051501 /nfs/dbraw/zinc/05/15/01/130051501.db2.gz IPXSBYRFCRIQSP-LPHOPBHVSA-N 2 0 323.484 3.977 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273348136 130109263 /nfs/dbraw/zinc/10/92/63/130109263.db2.gz AKRVSXGSUMTYBP-RBUKOAKNSA-N 2 0 320.452 3.508 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278475589 130694518 /nfs/dbraw/zinc/69/45/18/130694518.db2.gz OFVHOQRKJWKUPV-AWEZNQCLSA-N 2 0 304.503 3.934 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cn[nH]c1 ZINC000283693758 131013840 /nfs/dbraw/zinc/01/38/40/131013840.db2.gz ANGUTVDWJHRGMM-INIZCTEOSA-N 2 0 312.461 3.637 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cn[nH]c1 ZINC000283693760 131013983 /nfs/dbraw/zinc/01/39/83/131013983.db2.gz ANGUTVDWJHRGMM-MRXNPFEDSA-N 2 0 312.461 3.637 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000284232910 131061174 /nfs/dbraw/zinc/06/11/74/131061174.db2.gz DMYXTFAEZXUKKW-OAHLLOKOSA-N 2 0 304.478 3.684 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000284998230 131129894 /nfs/dbraw/zinc/12/98/94/131129894.db2.gz GTMFDADJWKBCBH-OTBHMBEGSA-N 2 0 316.489 3.587 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197767 131146833 /nfs/dbraw/zinc/14/68/33/131146833.db2.gz WKWTVEBHYOMVJD-MAUKXSAKSA-N 2 0 313.445 3.504 20 0 DHADRP CN(Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285381834 131162574 /nfs/dbraw/zinc/16/25/74/131162574.db2.gz CUNQOOBQHKMQBN-YIONKMFJSA-N 2 0 312.379 3.762 20 0 DHADRP Cc1ccnc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000286091769 131219192 /nfs/dbraw/zinc/21/91/92/131219192.db2.gz MUPAOCVYIILDBJ-GOSISDBHSA-N 2 0 323.484 3.953 20 0 DHADRP Cc1ccncc1CCC[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000289305953 131372220 /nfs/dbraw/zinc/37/22/20/131372220.db2.gz RNHWOACTPILMAI-UHFFFAOYSA-N 2 0 315.505 3.567 20 0 DHADRP Cn1cncc1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000289331182 131374904 /nfs/dbraw/zinc/37/49/04/131374904.db2.gz KYBJJOUGYQZWQA-UHFFFAOYSA-N 2 0 323.362 3.646 20 0 DHADRP c1[nH+]cn2cc(C[NH2+]Cc3ccccc3OC3CCCC3)ccc12 ZINC000297478778 132018503 /nfs/dbraw/zinc/01/85/03/132018503.db2.gz JMHXZWFXRYMIJT-UHFFFAOYSA-N 2 0 321.424 3.946 20 0 DHADRP Clc1ccccc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298263014 132052893 /nfs/dbraw/zinc/05/28/93/132052893.db2.gz FVPXXXZRGGHYRA-UHFFFAOYSA-N 2 0 315.848 3.536 20 0 DHADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298385950 132060283 /nfs/dbraw/zinc/06/02/83/132060283.db2.gz LFXYEFZLTJLCGX-GOSISDBHSA-N 2 0 321.468 3.760 20 0 DHADRP c1ccc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000298490881 132065366 /nfs/dbraw/zinc/06/53/66/132065366.db2.gz PYBMAXABKUWSDT-HXUWFJFHSA-N 2 0 307.441 3.791 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000120545848 132144564 /nfs/dbraw/zinc/14/45/64/132144564.db2.gz HPTQEGBWRZHICU-CYBMUJFWSA-N 2 0 320.477 3.664 20 0 DHADRP CCc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc2[nH+]1 ZINC000533713090 331661022 /nfs/dbraw/zinc/66/10/22/331661022.db2.gz ZHMAMBJILVKAMD-QGZVFWFLSA-N 2 0 323.484 3.965 20 0 DHADRP CCc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc2[nH+]1 ZINC000533713082 331661063 /nfs/dbraw/zinc/66/10/63/331661063.db2.gz ZHMAMBJILVKAMD-KRWDZBQOSA-N 2 0 323.484 3.965 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCCSC3)CC2)C1 ZINC000558238218 331886141 /nfs/dbraw/zinc/88/61/41/331886141.db2.gz PHBDMCGNIVRSEI-SOLBZPMBSA-N 2 0 310.551 3.762 20 0 DHADRP CSC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC[NH+](C)CC1 ZINC000558508084 331915274 /nfs/dbraw/zinc/91/52/74/331915274.db2.gz ALZDTOGIWCUCDB-KRWDZBQOSA-N 2 0 304.503 3.555 20 0 DHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000559049037 331968215 /nfs/dbraw/zinc/96/82/15/331968215.db2.gz ACJWGYSJJZUMKO-UHFFFAOYSA-N 2 0 317.521 3.931 20 0 DHADRP C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000584251250 332013983 /nfs/dbraw/zinc/01/39/83/332013983.db2.gz FYNPDZIJZZQLNT-QZTJIDSGSA-N 2 0 321.553 3.636 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000559312526 332023812 /nfs/dbraw/zinc/02/38/12/332023812.db2.gz VTTFDKKVXHSLRZ-SFHVURJKSA-N 2 0 322.880 3.527 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398059 332025378 /nfs/dbraw/zinc/02/53/78/332025378.db2.gz ZDKQYUMKEVKWMP-GJZGRUSLSA-N 2 0 312.379 3.597 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000131300108 332028690 /nfs/dbraw/zinc/02/86/90/332028690.db2.gz SNIVBINYVDXDMI-SFHVURJKSA-N 2 0 317.521 3.756 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000409447915 332033101 /nfs/dbraw/zinc/03/31/01/332033101.db2.gz NGQMXYVUUYQMRO-OALUTQOASA-N 2 0 320.521 3.532 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000518501871 332068350 /nfs/dbraw/zinc/06/83/50/332068350.db2.gz BNASNSTVFMBHGD-LJQANCHMSA-N 2 0 316.489 3.830 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410323067 332111031 /nfs/dbraw/zinc/11/10/31/332111031.db2.gz LFZYGUHNUDUWLH-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000448029799 332202337 /nfs/dbraw/zinc/20/23/37/332202337.db2.gz QYAIPAVYJZKFIG-JXFKEZNVSA-N 2 0 300.490 3.987 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000426058167 335094303 /nfs/dbraw/zinc/09/43/03/335094303.db2.gz AFNREKMDJCTANZ-WMLDXEAASA-N 2 0 322.443 3.706 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426048851 335095517 /nfs/dbraw/zinc/09/55/17/335095517.db2.gz JPOQIGKLUVMUPC-RDJZCZTQSA-N 2 0 318.461 3.749 20 0 DHADRP CC(C)c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc(C(C)C)n1 ZINC000536389607 332237357 /nfs/dbraw/zinc/23/73/57/332237357.db2.gz BHAVYPRFEKFWLD-INIZCTEOSA-N 2 0 316.493 3.788 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000448031542 332247686 /nfs/dbraw/zinc/24/76/86/332247686.db2.gz UWGAMARECDRXEW-CPLUKWAASA-N 2 0 300.490 3.843 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000531104899 332263871 /nfs/dbraw/zinc/26/38/71/332263871.db2.gz RAJUBJPURLMPNG-CRAIPNDOSA-N 2 0 324.896 3.834 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233798 332267060 /nfs/dbraw/zinc/26/70/60/332267060.db2.gz SUWCHITZJSWSMN-DNVCBOLYSA-N 2 0 304.453 3.915 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@H]2COc3ccccc32)C[C@H]1c1ccccc1 ZINC000559855862 332285733 /nfs/dbraw/zinc/28/57/33/332285733.db2.gz PWXBGKRJNVMHPM-BJLQDIEVSA-N 2 0 322.452 3.588 20 0 DHADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000564969522 332318915 /nfs/dbraw/zinc/31/89/15/332318915.db2.gz ZXIVGXBZHANAFT-ZDUSSCGKSA-N 2 0 304.821 3.771 20 0 DHADRP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000560521320 332349938 /nfs/dbraw/zinc/34/99/38/332349938.db2.gz CUIMHFCVDKJSMB-XUVXKRRUSA-N 2 0 300.490 3.815 20 0 DHADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000560522045 332350401 /nfs/dbraw/zinc/35/04/01/332350401.db2.gz RDWNPBQLEYWDRH-XUVXKRRUSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@H](C[N@H+](C)CCCN(C)Cc1ccco1)c1ccccc1 ZINC000560541494 332355443 /nfs/dbraw/zinc/35/54/43/332355443.db2.gz OQEUBIMRXLSUGN-QGZVFWFLSA-N 2 0 300.446 3.837 20 0 DHADRP COc1ccccc1/C=C/C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000518749124 332385507 /nfs/dbraw/zinc/38/55/07/332385507.db2.gz POOHMPJHQCNOGP-DHZHZOJOSA-N 2 0 316.489 3.953 20 0 DHADRP c1ccc2c(c1)CC(C[NH2+]CCCCC[NH+]1CCCCC1)C2 ZINC000583413103 332393280 /nfs/dbraw/zinc/39/32/80/332393280.db2.gz MVKABFFVDWIUIT-UHFFFAOYSA-N 2 0 300.490 3.647 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000583421911 332398628 /nfs/dbraw/zinc/39/86/28/332398628.db2.gz PAQNPUYTANODBI-UHFFFAOYSA-N 2 0 316.489 3.702 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C)c(Cl)c2)CC[NH+](C)CC1 ZINC000562081906 332543939 /nfs/dbraw/zinc/54/39/39/332543939.db2.gz VXHGLIXJGWVDLU-UHFFFAOYSA-N 2 0 312.910 3.565 20 0 DHADRP CCCC[N@H+](C)CC1CCN(c2nc3ccccc3n2C)CC1 ZINC000178808429 333020948 /nfs/dbraw/zinc/02/09/48/333020948.db2.gz FRQZKGKFNWQGHG-UHFFFAOYSA-N 2 0 314.477 3.522 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000179407888 333025147 /nfs/dbraw/zinc/02/51/47/333025147.db2.gz AHLLIENGHSEFCX-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000068635092 333133152 /nfs/dbraw/zinc/13/31/52/333133152.db2.gz DJRCZGSNKFNTQE-UHFFFAOYSA-N 2 0 306.416 3.962 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000310004850 333215140 /nfs/dbraw/zinc/21/51/40/333215140.db2.gz HAIJFENGNIPMIR-KRWDZBQOSA-N 2 0 312.457 3.873 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000310001579 333215239 /nfs/dbraw/zinc/21/52/39/333215239.db2.gz FFOYHAAIPZKZCJ-KRWDZBQOSA-N 2 0 312.457 3.525 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCCc2ccc(O)cc21 ZINC000319142773 333264457 /nfs/dbraw/zinc/26/44/57/333264457.db2.gz FQOUTCKJKVWVSL-BEFAXECRSA-N 2 0 302.462 3.624 20 0 DHADRP CCOC[C@@H](C)[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000537941489 333353983 /nfs/dbraw/zinc/35/39/83/333353983.db2.gz SDEIFIYPUMYDJB-GOSISDBHSA-N 2 0 318.505 3.693 20 0 DHADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000187029139 333384169 /nfs/dbraw/zinc/38/41/69/333384169.db2.gz KIFMQYPYLDAGND-FQEVSTJZSA-N 2 0 300.490 3.718 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)C1 ZINC000187023544 333384342 /nfs/dbraw/zinc/38/43/42/333384342.db2.gz BVRPCOOEWGGILA-NVXWUHKLSA-N 2 0 304.503 3.772 20 0 DHADRP FC(F)(F)c1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563135596 333395569 /nfs/dbraw/zinc/39/55/69/333395569.db2.gz RKQFQBQJYSGNDY-AWEZNQCLSA-N 2 0 312.379 3.527 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705605 333437563 /nfs/dbraw/zinc/43/75/63/333437563.db2.gz KXSNBNQYZRHZQZ-LBPRGKRZSA-N 2 0 302.384 3.704 20 0 DHADRP FC(F)(F)C1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446889207 333457996 /nfs/dbraw/zinc/45/79/96/333457996.db2.gz UCVQTLKYZPOCBF-UHFFFAOYSA-N 2 0 304.400 3.572 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000391369806 333459025 /nfs/dbraw/zinc/45/90/25/333459025.db2.gz SKCSVNCWPQGARC-SFHVURJKSA-N 2 0 318.505 3.964 20 0 DHADRP CN(c1ccccc1C[NH2+]CCC(C)(C)C)C1CC[NH+](C)CC1 ZINC000531597483 333539475 /nfs/dbraw/zinc/53/94/75/333539475.db2.gz WWZJKQSAZCQRCA-UHFFFAOYSA-N 2 0 317.521 3.743 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000571246364 333689970 /nfs/dbraw/zinc/68/99/70/333689970.db2.gz MXPHBVCSVMTUBL-STQMWFEESA-N 2 0 302.384 3.739 20 0 DHADRP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cc(F)ccc2[nH+]1 ZINC000343375842 335160374 /nfs/dbraw/zinc/16/03/74/335160374.db2.gz QLQZDRMKGRFHPP-XYPWUTKMSA-N 2 0 313.420 3.744 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414193822 333911881 /nfs/dbraw/zinc/91/18/81/333911881.db2.gz UYTNYQDZTAWFRR-VHKYSDTDSA-N 2 0 321.424 3.625 20 0 DHADRP CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)CC[C@H]1CCCO1 ZINC000343460624 335166537 /nfs/dbraw/zinc/16/65/37/335166537.db2.gz FIBJVHAIMUYVGS-LJQANCHMSA-N 2 0 318.505 3.646 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162938 333915456 /nfs/dbraw/zinc/91/54/56/333915456.db2.gz FCWPUIPGENTGRZ-SFHVURJKSA-N 2 0 307.397 3.646 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000414230007 333926210 /nfs/dbraw/zinc/92/62/10/333926210.db2.gz NIWBHROXTDFNBU-GPMSIDNRSA-N 2 0 318.530 3.566 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000414310253 333937249 /nfs/dbraw/zinc/93/72/49/333937249.db2.gz KTGBENXEIKSOFP-KMEYYKJISA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000451899220 334030408 /nfs/dbraw/zinc/03/04/08/334030408.db2.gz HRJMJQXBXKBVDV-UHFFFAOYSA-N 2 0 323.569 3.695 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272527438 334036633 /nfs/dbraw/zinc/03/66/33/334036633.db2.gz AAUSUVFMEJMIGW-QUCCMNQESA-N 2 0 323.484 3.514 20 0 DHADRP CC(C)C[C@H](C)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414726731 334074615 /nfs/dbraw/zinc/07/46/15/334074615.db2.gz ZTDCKRSMIVHYQA-JKSUJKDBSA-N 2 0 321.534 3.769 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414732217 334075342 /nfs/dbraw/zinc/07/53/42/334075342.db2.gz IGTITLCRXXDWPM-KGLIPLIRSA-N 2 0 314.395 3.870 20 0 DHADRP C[C@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414731107 334075346 /nfs/dbraw/zinc/07/53/46/334075346.db2.gz FDXUGRVMASILEK-CJNGLKHVSA-N 2 0 314.395 3.883 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC000414755055 334085574 /nfs/dbraw/zinc/08/55/74/334085574.db2.gz OOQXVHDYDMWARC-HBUWYVDXSA-N 2 0 308.416 3.880 20 0 DHADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCc2cccnc21 ZINC000414756421 334086056 /nfs/dbraw/zinc/08/60/56/334086056.db2.gz QSTFYMCIKUEMLB-NUJGCVRESA-N 2 0 301.478 3.559 20 0 DHADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1C(F)(F)F ZINC000414760786 334087039 /nfs/dbraw/zinc/08/70/39/334087039.db2.gz HOTKMDLGSJXPDQ-UHFFFAOYSA-N 2 0 312.379 3.589 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414777293 334092174 /nfs/dbraw/zinc/09/21/74/334092174.db2.gz HZEPQUYNELCWHA-NEPJUHHUSA-N 2 0 318.408 3.588 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc2c1 ZINC000414780907 334093183 /nfs/dbraw/zinc/09/31/83/334093183.db2.gz MCZPAFBDQFEEIQ-UXHICEINSA-N 2 0 324.468 3.670 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786733 334096398 /nfs/dbraw/zinc/09/63/98/334096398.db2.gz UTIVJBVCGKMVNN-IRXDYDNUSA-N 2 0 304.503 3.620 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414791348 334098073 /nfs/dbraw/zinc/09/80/73/334098073.db2.gz HSXBUYJOJZAREV-GWCFXTLKSA-N 2 0 306.759 3.576 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414791353 334098102 /nfs/dbraw/zinc/09/81/02/334098102.db2.gz HSXBUYJOJZAREV-ZWNOBZJWSA-N 2 0 306.759 3.576 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414793542 334098707 /nfs/dbraw/zinc/09/87/07/334098707.db2.gz DRMRMSGAYJMVLI-IVMMDQJWSA-N 2 0 314.395 3.744 20 0 DHADRP FC1(F)CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278710343 334100183 /nfs/dbraw/zinc/10/01/83/334100183.db2.gz LNVUUARIXCFJJB-ACHSLPGTSA-N 2 0 306.400 3.569 20 0 DHADRP CCC([NH3+])(CC)CNCc1cnc(-c2ccc(C)cc2)s1 ZINC000414804438 334104111 /nfs/dbraw/zinc/10/41/11/334104111.db2.gz DYMGXMQRMSYVEP-UHFFFAOYSA-N 2 0 303.475 3.726 20 0 DHADRP COc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000414811966 334105162 /nfs/dbraw/zinc/10/51/62/334105162.db2.gz QKJSQSPZUHVTDZ-GFCCVEGCSA-N 2 0 304.821 3.658 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000414812750 334106273 /nfs/dbraw/zinc/10/62/73/334106273.db2.gz RQVCOQBQUDBFAH-CQSZACIVSA-N 2 0 310.441 3.710 20 0 DHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414815645 334106653 /nfs/dbraw/zinc/10/66/53/334106653.db2.gz XWUAZSNLJIYKKM-OAHLLOKOSA-N 2 0 320.440 3.695 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414826766 334109035 /nfs/dbraw/zinc/10/90/35/334109035.db2.gz JNAASSXBSSFMLY-HNNXBMFYSA-N 2 0 300.471 3.813 20 0 DHADRP C[C@@H](C[NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414831359 334110138 /nfs/dbraw/zinc/11/01/38/334110138.db2.gz DAHGBAGZPLDHKL-UONOGXRCSA-N 2 0 314.395 3.788 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414837671 334111738 /nfs/dbraw/zinc/11/17/38/334111738.db2.gz UVLLDCOQIVOCLR-UXPWSPDFSA-N 2 0 316.489 3.699 20 0 DHADRP c1ccc(COc2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000414852868 334126867 /nfs/dbraw/zinc/12/68/67/334126867.db2.gz QSRRGVXBOSRLKD-GOSISDBHSA-N 2 0 324.468 3.745 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414862337 334133282 /nfs/dbraw/zinc/13/32/82/334133282.db2.gz XIEIEUQUDHLGCY-ZJZKXORJSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000414863092 334133930 /nfs/dbraw/zinc/13/39/30/334133930.db2.gz WSMYMIVPNRBWRB-HKUYNNGSSA-N 2 0 321.553 3.671 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414902692 334166651 /nfs/dbraw/zinc/16/66/51/334166651.db2.gz LGYMVAXDJVPRKY-LBPRGKRZSA-N 2 0 300.899 3.702 20 0 DHADRP CC1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC000414904198 334167585 /nfs/dbraw/zinc/16/75/85/334167585.db2.gz NCDQWXUBZNTECV-WBVHZDCISA-N 2 0 306.881 3.955 20 0 DHADRP [NH3+]CCCC[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414905307 334168448 /nfs/dbraw/zinc/16/84/48/334168448.db2.gz NWUNKXKCHWDNKC-RMKNXTFCSA-N 2 0 310.441 3.607 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414905620 334168953 /nfs/dbraw/zinc/16/89/53/334168953.db2.gz LOXNIKUEHDGSEI-CJNGLKHVSA-N 2 0 314.395 3.616 20 0 DHADRP CC1(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000414914755 334176236 /nfs/dbraw/zinc/17/62/36/334176236.db2.gz YCLBSPXKSCQJNI-IRXDYDNUSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414920789 334181115 /nfs/dbraw/zinc/18/11/15/334181115.db2.gz ZGIGERYPAKOUTQ-KCPJHIHWSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414927791 334190029 /nfs/dbraw/zinc/19/00/29/334190029.db2.gz MLIJTECDHXPNIY-LSBZLQRGSA-N 2 0 301.478 3.547 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415081493 334271792 /nfs/dbraw/zinc/27/17/92/334271792.db2.gz CFROTXOFUFPNDK-DAYGRLMNSA-N 2 0 302.462 3.583 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000414932189 334195326 /nfs/dbraw/zinc/19/53/26/334195326.db2.gz VMQUTVQFHLJLDD-VXGBXAGGSA-N 2 0 301.261 3.786 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC[NH2+]1 ZINC000414943974 334203435 /nfs/dbraw/zinc/20/34/35/334203435.db2.gz FZYMWDOHUKMWKC-SWLSCSKDSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414945826 334204952 /nfs/dbraw/zinc/20/49/52/334204952.db2.gz SFHWUYCYMUBFLR-LRDDRELGSA-N 2 0 315.288 3.904 20 0 DHADRP CC1([NH2+]Cc2ccc(-c3ccccc3F)s2)CC[NH2+]CC1 ZINC000414946071 334205234 /nfs/dbraw/zinc/20/52/34/334205234.db2.gz SKUGLXLOMUXXRZ-UHFFFAOYSA-N 2 0 304.434 3.786 20 0 DHADRP C[C@H](C[NH2+]C1(C)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414947576 334205589 /nfs/dbraw/zinc/20/55/89/334205589.db2.gz WUDCZNKAVFKBJT-GFCCVEGCSA-N 2 0 300.368 3.541 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cc2)cc1 ZINC000414946733 334206237 /nfs/dbraw/zinc/20/62/37/334206237.db2.gz JZAXJMBNZOVZNJ-YLJYHZDGSA-N 2 0 324.468 3.804 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC[NH2+]1 ZINC000414955767 334208299 /nfs/dbraw/zinc/20/82/99/334208299.db2.gz UOGRZDLIKDXPKY-WFASDCNBSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414961282 334212744 /nfs/dbraw/zinc/21/27/44/334212744.db2.gz YSETWARPLBBATL-XLIONFOSSA-N 2 0 308.469 3.571 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)CC[NH2+]1 ZINC000414962415 334213021 /nfs/dbraw/zinc/21/30/21/334213021.db2.gz ZQIJKKYDZSAEFL-QWHCGFSZSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)CC[NH2+]1 ZINC000414962420 334213042 /nfs/dbraw/zinc/21/30/42/334213042.db2.gz ZQIJKKYDZSAEFL-STQMWFEESA-N 2 0 304.434 3.784 20 0 DHADRP c1ccc2c(c1)cccc2OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415082279 334273124 /nfs/dbraw/zinc/27/31/24/334273124.db2.gz DBHBUCSUCJTKST-XUVXKRRUSA-N 2 0 324.468 3.729 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000415082301 334273176 /nfs/dbraw/zinc/27/31/76/334273176.db2.gz DDKPCHDXBQDBEA-MSOLQXFVSA-N 2 0 308.469 3.796 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000415082304 334273347 /nfs/dbraw/zinc/27/33/47/334273347.db2.gz DDKPCHDXBQDBEA-ZWKOTPCHSA-N 2 0 308.469 3.796 20 0 DHADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000187798135 334273581 /nfs/dbraw/zinc/27/35/81/334273581.db2.gz QNUBYUWMSVHVCR-NHCUHLMSSA-N 2 0 312.501 3.961 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000414995111 334234103 /nfs/dbraw/zinc/23/41/03/334234103.db2.gz NBNGWTMMEVMKBK-WBVHZDCISA-N 2 0 302.462 3.615 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000414997958 334236361 /nfs/dbraw/zinc/23/63/61/334236361.db2.gz QGSWHFWBUZJNJD-JQWIXIFHSA-N 2 0 318.795 3.549 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000415000612 334239527 /nfs/dbraw/zinc/23/95/27/334239527.db2.gz TVCZSMJJLCBLAO-PMACEKPBSA-N 2 0 324.468 3.873 20 0 DHADRP CC1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415004491 334244480 /nfs/dbraw/zinc/24/44/80/334244480.db2.gz OFZFEXUEJHLGOG-ZPGGLAACSA-N 2 0 304.453 3.687 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000415008310 334250832 /nfs/dbraw/zinc/25/08/32/334250832.db2.gz SIMUUPGTYAUCLT-MEWCUZTCSA-N 2 0 316.489 3.829 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)cc1Br ZINC000415009218 334252435 /nfs/dbraw/zinc/25/24/35/334252435.db2.gz FBTQWVXKINJUJQ-JTQLQIEISA-N 2 0 319.674 3.710 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415014568 334258681 /nfs/dbraw/zinc/25/86/81/334258681.db2.gz MTCMYRRMWROVFB-CHWSQXEVSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000415017938 334258958 /nfs/dbraw/zinc/25/89/58/334258958.db2.gz STKLZEVJMQFYTF-CYBMUJFWSA-N 2 0 310.869 3.736 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Br)cc1Cl ZINC000415018153 334259132 /nfs/dbraw/zinc/25/91/32/334259132.db2.gz TWPOWIBKPKSXDX-JTQLQIEISA-N 2 0 319.674 3.710 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000415022369 334259699 /nfs/dbraw/zinc/25/96/99/334259699.db2.gz LMHVDMMHCHSGMN-TWVNLXSWSA-N 2 0 324.468 3.996 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000415025185 334259737 /nfs/dbraw/zinc/25/97/37/334259737.db2.gz QMDLAXSFPMZWFL-OAHLLOKOSA-N 2 0 316.420 3.622 20 0 DHADRP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)nc1 ZINC000415033830 334260237 /nfs/dbraw/zinc/26/02/37/334260237.db2.gz CCGFTSDVNZLTJN-PZJWPPBQSA-N 2 0 321.468 3.713 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415036025 334260466 /nfs/dbraw/zinc/26/04/66/334260466.db2.gz LAXWDBSBHBZVSP-TVQRCGJNSA-N 2 0 306.759 3.576 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000415039373 334260661 /nfs/dbraw/zinc/26/06/61/334260661.db2.gz NYTNQGBKWUDCEI-QWHCGFSZSA-N 2 0 304.434 3.771 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415048785 334261480 /nfs/dbraw/zinc/26/14/80/334261480.db2.gz XILBQPUUIVTHRF-SJLPKXTDSA-N 2 0 310.441 3.579 20 0 DHADRP CC(C)c1cnc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415054418 334261697 /nfs/dbraw/zinc/26/16/97/334261697.db2.gz NLKQQDXYGWXEQF-OAHLLOKOSA-N 2 0 303.475 3.836 20 0 DHADRP CSc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415059198 334261904 /nfs/dbraw/zinc/26/19/04/334261904.db2.gz URVPASQOQHVDHK-GOSISDBHSA-N 2 0 300.471 3.978 20 0 DHADRP c1ccc(OCCCCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059914 334262117 /nfs/dbraw/zinc/26/21/17/334262117.db2.gz XXNWDHGBQROBAT-ICSRJNTNSA-N 2 0 316.489 3.700 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000415071287 334264058 /nfs/dbraw/zinc/26/40/58/334264058.db2.gz ZCPSAUXDTUURGF-GFCCVEGCSA-N 2 0 307.438 3.556 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000187650948 334266779 /nfs/dbraw/zinc/26/67/79/334266779.db2.gz ANGMBDBJHRZABL-UHFFFAOYSA-N 2 0 318.505 3.946 20 0 DHADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415073743 334267469 /nfs/dbraw/zinc/26/74/69/334267469.db2.gz BKRFTHJEEMQVJZ-SWLSCSKDSA-N 2 0 302.384 3.599 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000415077289 334268490 /nfs/dbraw/zinc/26/84/90/334268490.db2.gz HGTODWHNKIAKEL-YDZRNGNQSA-N 2 0 316.489 3.663 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415080139 334269785 /nfs/dbraw/zinc/26/97/85/334269785.db2.gz LCEIOUAUAGZJTO-PMPSAXMXSA-N 2 0 322.518 3.544 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415080137 334269819 /nfs/dbraw/zinc/26/98/19/334269819.db2.gz LCEIOUAUAGZJTO-OWCLPIDISA-N 2 0 322.518 3.544 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1nc(C(F)(F)F)cs1 ZINC000415077822 334270081 /nfs/dbraw/zinc/27/00/81/334270081.db2.gz FNLUSCIRSSIFQW-GHMZBOCLSA-N 2 0 321.412 3.562 20 0 DHADRP COc1cc(CC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)ccc1C ZINC000415077808 334270102 /nfs/dbraw/zinc/27/01/02/334270102.db2.gz FMTGTBBOGDKESD-UXHICEINSA-N 2 0 324.468 3.629 20 0 DHADRP COc1cc(CC[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)ccc1C ZINC000415077809 334270173 /nfs/dbraw/zinc/27/01/73/334270173.db2.gz FMTGTBBOGDKESD-VQTJNVASSA-N 2 0 324.468 3.629 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415079429 334270661 /nfs/dbraw/zinc/27/06/61/334270661.db2.gz KCPWRNUAOWLSHH-GZBFAFLISA-N 2 0 314.395 3.614 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415079427 334270824 /nfs/dbraw/zinc/27/08/24/334270824.db2.gz KCPWRNUAOWLSHH-GUTXKFCHSA-N 2 0 314.395 3.614 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)s2)cc1 ZINC000415112337 334281962 /nfs/dbraw/zinc/28/19/62/334281962.db2.gz RSSXCUKNSWNKND-OAHLLOKOSA-N 2 0 316.470 3.655 20 0 DHADRP CCCC1(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CCC1 ZINC000537962166 334299529 /nfs/dbraw/zinc/29/95/29/334299529.db2.gz NCMCGLJDTGBGDL-ZWKOTPCHSA-N 2 0 310.526 3.683 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000531943626 334299969 /nfs/dbraw/zinc/29/99/69/334299969.db2.gz KYWYOHZRPXJQSZ-OAQYLSRUSA-N 2 0 308.469 3.859 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000531950861 334304331 /nfs/dbraw/zinc/30/43/31/334304331.db2.gz XAMCHQJSGMKYHM-HLLBOEOZSA-N 2 0 324.896 3.736 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531956309 334307719 /nfs/dbraw/zinc/30/77/19/334307719.db2.gz UYSMBANTPQVTQH-RYRKJORJSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531956308 334307934 /nfs/dbraw/zinc/30/79/34/334307934.db2.gz UYSMBANTPQVTQH-NUJGCVRESA-N 2 0 304.478 3.856 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531959798 334316045 /nfs/dbraw/zinc/31/60/45/334316045.db2.gz QPXOLSPBPPHNQC-INIZCTEOSA-N 2 0 304.478 3.776 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000049553521 334350015 /nfs/dbraw/zinc/35/00/15/334350015.db2.gz MXSGBQKARIAXGG-RYUDHWBXSA-N 2 0 304.356 3.576 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535050757 334360428 /nfs/dbraw/zinc/36/04/28/334360428.db2.gz OWLMTDVPTAYIEO-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000190014076 334920821 /nfs/dbraw/zinc/92/08/21/334920821.db2.gz DNJFJHGTDMNMAA-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000344089558 335217083 /nfs/dbraw/zinc/21/70/83/335217083.db2.gz DCHZEEKTDXZLDW-OALUTQOASA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000344157253 335222832 /nfs/dbraw/zinc/22/28/32/335222832.db2.gz ZZBVKNLAXZXQBW-RCCFBDPRSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1cccs1 ZINC000344209606 335225401 /nfs/dbraw/zinc/22/54/01/335225401.db2.gz LHOJGRFRRCQEKW-UHFFFAOYSA-N 2 0 312.442 3.662 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1)CCC2 ZINC000344780491 335276827 /nfs/dbraw/zinc/27/68/27/335276827.db2.gz YKLJXUVTVMVBMC-FHWLQOOXSA-N 2 0 309.457 3.995 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000165966102 335294871 /nfs/dbraw/zinc/29/48/71/335294871.db2.gz QBVLGRNOYBATBJ-HOTGVXAUSA-N 2 0 318.461 3.749 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2cccnc12 ZINC000346208106 335390518 /nfs/dbraw/zinc/39/05/18/335390518.db2.gz SANKZQVMURRTKV-FQEVSTJZSA-N 2 0 323.484 3.994 20 0 DHADRP CCc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000347848789 335528528 /nfs/dbraw/zinc/52/85/28/335528528.db2.gz IPRDZARFSWCEMW-UHFFFAOYSA-N 2 0 315.505 3.732 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000367086628 335660258 /nfs/dbraw/zinc/66/02/58/335660258.db2.gz MBDLKPRBLVDPOE-UYAOXDASSA-N 2 0 322.537 3.826 20 0 DHADRP CCC1(C[NH2+]C[C@@H](C)COC)CC[NH+](Cc2ccccc2)CC1 ZINC000527354601 335838076 /nfs/dbraw/zinc/83/80/76/335838076.db2.gz JZPWZAOYKCKHCX-GOSISDBHSA-N 2 0 318.505 3.551 20 0 DHADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000536696043 335863504 /nfs/dbraw/zinc/86/35/04/335863504.db2.gz RIYNQFRBEWYHLO-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1F ZINC000102558609 335918179 /nfs/dbraw/zinc/91/81/79/335918179.db2.gz SXDFTTDRTOTXGW-LBPRGKRZSA-N 2 0 308.441 3.794 20 0 DHADRP c1ccc(CSCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000192544775 336075606 /nfs/dbraw/zinc/07/56/06/336075606.db2.gz CJZURCQVDPYCCR-UHFFFAOYSA-N 2 0 318.530 3.728 20 0 DHADRP C[C@H](c1cccnc1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352437631 336218703 /nfs/dbraw/zinc/21/87/03/336218703.db2.gz CZOCHDGIDBYXGB-UIFIKXQLSA-N 2 0 321.468 3.597 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000352487557 336221607 /nfs/dbraw/zinc/22/16/07/336221607.db2.gz GGKHMPBVOOQDRO-HNNXBMFYSA-N 2 0 301.459 3.513 20 0 DHADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1C ZINC000352495753 336221946 /nfs/dbraw/zinc/22/19/46/336221946.db2.gz OKXKNJLCKXRQAG-KRWDZBQOSA-N 2 0 302.462 3.518 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000395743622 336227082 /nfs/dbraw/zinc/22/70/82/336227082.db2.gz WJGJGUVSVKYRBE-UHFFFAOYSA-N 2 0 318.383 3.795 20 0 DHADRP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000352769470 336234077 /nfs/dbraw/zinc/23/40/77/336234077.db2.gz NFUGAGQNZSAQGM-UWJYYQICSA-N 2 0 323.484 3.644 20 0 DHADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352811297 336245127 /nfs/dbraw/zinc/24/51/27/336245127.db2.gz RQPMFPQZBXWBAX-QGZVFWFLSA-N 2 0 320.521 3.580 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514099836 336304527 /nfs/dbraw/zinc/30/45/27/336304527.db2.gz RISBIVPGVXAXMT-KBRIMQKVSA-N 2 0 308.416 3.502 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301467837 336308732 /nfs/dbraw/zinc/30/87/32/336308732.db2.gz MTJIJHXTIMJIHF-AWEZNQCLSA-N 2 0 301.409 3.542 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000302028767 336344093 /nfs/dbraw/zinc/34/40/93/336344093.db2.gz JDYWLTICYILWBC-MRXNPFEDSA-N 2 0 311.473 3.884 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000302037218 336344715 /nfs/dbraw/zinc/34/47/15/336344715.db2.gz MJQCBYOTCLACLX-MRXNPFEDSA-N 2 0 309.457 3.780 20 0 DHADRP Cc1nc2c(c(N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)n1)CCCC2 ZINC000302102937 336348550 /nfs/dbraw/zinc/34/85/50/336348550.db2.gz QQKGEEWMWNQTAB-MOPGFXCFSA-N 2 0 322.456 3.521 20 0 DHADRP Cc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000302378209 336357815 /nfs/dbraw/zinc/35/78/15/336357815.db2.gz DFWWDEODXYTRAH-UHFFFAOYSA-N 2 0 310.445 3.528 20 0 DHADRP Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000302567185 336361791 /nfs/dbraw/zinc/36/17/91/336361791.db2.gz NTSPDWABSGMZHH-OAHLLOKOSA-N 2 0 301.459 3.776 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152459923 336387295 /nfs/dbraw/zinc/38/72/95/336387295.db2.gz FDWDGVLLFQLFFT-QUCCMNQESA-N 2 0 300.490 3.718 20 0 DHADRP CSC1(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCC1 ZINC000356087736 336535010 /nfs/dbraw/zinc/53/50/10/336535010.db2.gz BAAKFFGFHYCVNH-UHFFFAOYSA-N 2 0 310.551 3.905 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC000359842872 336689399 /nfs/dbraw/zinc/68/93/99/336689399.db2.gz IYLQUAMKXVZETL-MRXNPFEDSA-N 2 0 307.482 3.878 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000360707871 336719889 /nfs/dbraw/zinc/71/98/89/336719889.db2.gz OHAMPMSFWRXPOQ-DLBZAZTESA-N 2 0 304.478 3.576 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cs1 ZINC000361005109 336732338 /nfs/dbraw/zinc/73/23/38/336732338.db2.gz UGSIAWXQEYDJNB-AWEZNQCLSA-N 2 0 309.523 3.860 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC1CC[NH+](C)CC1)CCCO2 ZINC000361069050 336736672 /nfs/dbraw/zinc/73/66/72/336736672.db2.gz OFYJYVDQFKNJAP-LJQANCHMSA-N 2 0 316.489 3.839 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CCCO2 ZINC000361967863 336780317 /nfs/dbraw/zinc/78/03/17/336780317.db2.gz NKQAGQYBYPHVRO-ZHALLVOQSA-N 2 0 316.489 3.980 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368565151 336847949 /nfs/dbraw/zinc/84/79/49/336847949.db2.gz AVJQWELUECJZAU-UHFFFAOYSA-N 2 0 315.505 3.675 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000121678883 336970324 /nfs/dbraw/zinc/97/03/24/336970324.db2.gz GQAXEETXWDPMFU-SFHVURJKSA-N 2 0 320.452 3.751 20 0 DHADRP C[C@H]1C[C@@H](N(C)Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000123488911 337048720 /nfs/dbraw/zinc/04/87/20/337048720.db2.gz CDPMHZKYZYRWDH-ZFWWWQNUSA-N 2 0 317.864 3.803 20 0 DHADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC000377330820 337050656 /nfs/dbraw/zinc/05/06/56/337050656.db2.gz OLQKSUZFTJVZQC-UHFFFAOYSA-N 2 0 321.468 3.570 20 0 DHADRP CC[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000377535345 337054499 /nfs/dbraw/zinc/05/44/99/337054499.db2.gz GAHSUNRBYSYAMX-IBGZPJMESA-N 2 0 323.569 3.597 20 0 DHADRP c1ccc(C2CC([NH2+]Cc3cccc(C[NH+]4CCCC4)c3)C2)nc1 ZINC000377614276 337056181 /nfs/dbraw/zinc/05/61/81/337056181.db2.gz IFTVKWCGRMVZAS-UHFFFAOYSA-N 2 0 321.468 3.713 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(C)c1O ZINC000377617242 337056392 /nfs/dbraw/zinc/05/63/92/337056392.db2.gz AFXOJKBPKZEJPP-WOJBJXKFSA-N 2 0 324.468 3.792 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378190892 337068019 /nfs/dbraw/zinc/06/80/19/337068019.db2.gz QESRWJPBPBNICV-PAPYEOQZSA-N 2 0 324.921 3.967 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000193811799 337080241 /nfs/dbraw/zinc/08/02/41/337080241.db2.gz SRJZHZAFPPVCTM-OAHLLOKOSA-N 2 0 322.518 3.563 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194216791 337082940 /nfs/dbraw/zinc/08/29/40/337082940.db2.gz KKUWAXCBEOCPOF-INIZCTEOSA-N 2 0 314.477 3.677 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582472032 337095363 /nfs/dbraw/zinc/09/53/63/337095363.db2.gz XUXITXSXNFJOAP-KDOFPFPSSA-N 2 0 311.429 3.557 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Nc1ccccc1 ZINC000582563086 337109612 /nfs/dbraw/zinc/10/96/12/337109612.db2.gz WIZSCXKWYASTCQ-ZGXWSNOMSA-N 2 0 315.505 3.586 20 0 DHADRP Fc1cccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)c1 ZINC000582671193 337119095 /nfs/dbraw/zinc/11/90/95/337119095.db2.gz JYXGBIGNDLEWHJ-UHFFFAOYSA-N 2 0 310.416 3.636 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000178507945 337163376 /nfs/dbraw/zinc/16/33/76/337163376.db2.gz KJGRHAATDCHVLE-GOSISDBHSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000178413162 337164429 /nfs/dbraw/zinc/16/44/29/337164429.db2.gz QZQDSXPVGDKQON-HUUCEWRRSA-N 2 0 317.502 3.864 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000459333206 337170662 /nfs/dbraw/zinc/17/06/62/337170662.db2.gz ARVGZWKAWSUNAC-MRXNPFEDSA-N 2 0 300.437 3.762 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)CC[N@@H+]1C ZINC000181016102 337179160 /nfs/dbraw/zinc/17/91/60/337179160.db2.gz SVRGVQFNJMVVPP-GOEBONIOSA-N 2 0 321.534 3.806 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000392202214 337182687 /nfs/dbraw/zinc/18/26/87/337182687.db2.gz ZPIZBKOUOUSDFI-UHFFFAOYSA-N 2 0 306.453 3.670 20 0 DHADRP CSC[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000429285874 337184260 /nfs/dbraw/zinc/18/42/60/337184260.db2.gz PKKGBIORLHSQRR-INIZCTEOSA-N 2 0 315.486 3.756 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C12CCC2 ZINC000183198479 337190248 /nfs/dbraw/zinc/19/02/48/337190248.db2.gz XCTLADPRJCRXPL-OGWHTMIXSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000469853692 337195456 /nfs/dbraw/zinc/19/54/56/337195456.db2.gz KONVNAJXMVCMBZ-OLZOCXBDSA-N 2 0 304.434 3.723 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000582899010 337212735 /nfs/dbraw/zinc/21/27/35/337212735.db2.gz LMQSHNNHRGSWTP-FZMZJTMJSA-N 2 0 311.267 3.587 20 0 DHADRP C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251492 337288485 /nfs/dbraw/zinc/28/84/85/337288485.db2.gz IHGNXSYYPLZDFO-INIZCTEOSA-N 2 0 313.272 3.911 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000584439451 337325792 /nfs/dbraw/zinc/32/57/92/337325792.db2.gz WKXTZKSSCFOOEN-YYKIQEHNSA-N 2 0 324.415 3.764 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1cccc(C(C)(C)C)c1 ZINC000584477818 337347868 /nfs/dbraw/zinc/34/78/68/337347868.db2.gz XCNLHQREOYGCFY-WBVHZDCISA-N 2 0 304.478 3.565 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420306223 337499050 /nfs/dbraw/zinc/49/90/50/337499050.db2.gz ACBXQJQJXRDFDW-KDOFPFPSSA-N 2 0 304.865 3.649 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420402648 337500693 /nfs/dbraw/zinc/50/06/93/337500693.db2.gz KDRKQWINOFYTJD-WBMJQRKESA-N 2 0 312.379 3.746 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000421368718 337532798 /nfs/dbraw/zinc/53/27/98/337532798.db2.gz GHCBEQXHHHRUJM-IZIZEDOESA-N 2 0 301.478 3.570 20 0 DHADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c2ccccc12 ZINC000421368576 337532814 /nfs/dbraw/zinc/53/28/14/337532814.db2.gz GMGAFEHWJXQRRT-UHFFFAOYSA-N 2 0 312.457 3.811 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000572111553 337591200 /nfs/dbraw/zinc/59/12/00/337591200.db2.gz CVBBDTCIRFSHRR-CVAIRZPRSA-N 2 0 309.457 3.917 20 0 DHADRP [NH3+]C1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000261638657 337607086 /nfs/dbraw/zinc/60/70/86/337607086.db2.gz ACCWOMGHKNFBPT-UHFFFAOYSA-N 2 0 316.395 3.520 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccncc1Cl ZINC000421822856 337645702 /nfs/dbraw/zinc/64/57/02/337645702.db2.gz XZYKIBMDBPTCOY-CYBMUJFWSA-N 2 0 303.837 3.647 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421873204 337657632 /nfs/dbraw/zinc/65/76/32/337657632.db2.gz HNFOQQFKJBMRCC-UWTIGNOOSA-N 2 0 312.860 3.873 20 0 DHADRP CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422700588 337683491 /nfs/dbraw/zinc/68/34/91/337683491.db2.gz AHIPPDNDHHNPOM-QAPCUYQASA-N 2 0 311.473 3.911 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000422739590 337684617 /nfs/dbraw/zinc/68/46/17/337684617.db2.gz ADTBAAXEBWWEKS-DLBZAZTESA-N 2 0 323.550 3.628 20 0 DHADRP c1cc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)ccn1 ZINC000422755419 337685288 /nfs/dbraw/zinc/68/52/88/337685288.db2.gz BPGGGVSQWZWBOM-QHAWAJNXSA-N 2 0 321.468 3.759 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000422766812 337685701 /nfs/dbraw/zinc/68/57/01/337685701.db2.gz MJNSSKHZBLYALD-MOPGFXCFSA-N 2 0 306.494 3.851 20 0 DHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422769301 337685772 /nfs/dbraw/zinc/68/57/72/337685772.db2.gz ONZMYCHUWNSXIX-RCCFBDPRSA-N 2 0 318.892 3.882 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)C1 ZINC000422774726 337685921 /nfs/dbraw/zinc/68/59/21/337685921.db2.gz YGLREJQTRGWSLA-GSXURMFVSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000422777806 337686206 /nfs/dbraw/zinc/68/62/06/337686206.db2.gz GSZVVHZKZQVHIY-SQGPQFPESA-N 2 0 312.457 3.660 20 0 DHADRP CCc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422785572 337686657 /nfs/dbraw/zinc/68/66/57/337686657.db2.gz PLPCVYUXAZWKHP-CTNGQTDRSA-N 2 0 322.452 3.595 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000422743001 337686700 /nfs/dbraw/zinc/68/67/00/337686700.db2.gz SSCODFHTILUPKR-AZUAARDMSA-N 2 0 317.521 3.567 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422794932 337686981 /nfs/dbraw/zinc/68/69/81/337686981.db2.gz UUOITSYNUDOOBL-KBPBESRZSA-N 2 0 315.486 3.680 20 0 DHADRP c1cncc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422801624 337687276 /nfs/dbraw/zinc/68/72/76/337687276.db2.gz CFDHZOQFTQJPRZ-NJDAHSKKSA-N 2 0 321.468 3.759 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422803478 337687393 /nfs/dbraw/zinc/68/73/93/337687393.db2.gz IWJOBVQYANCVKW-NBHGPNQESA-N 2 0 308.469 3.655 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000422801703 337687423 /nfs/dbraw/zinc/68/74/23/337687423.db2.gz AEVZKHDIEGHWTE-YWZLYKJASA-N 2 0 311.473 3.939 20 0 DHADRP [NH3+][C@@H]1C[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)c2ccccc21 ZINC000422808001 337687524 /nfs/dbraw/zinc/68/75/24/337687524.db2.gz PQIFBSDZCOEPEB-HKBOAZHASA-N 2 0 321.468 3.558 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000422808359 337687690 /nfs/dbraw/zinc/68/76/90/337687690.db2.gz KWSLRPGJYWPKHD-STQMWFEESA-N 2 0 302.384 3.916 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCC1CCCC1 ZINC000422809292 337687695 /nfs/dbraw/zinc/68/76/95/337687695.db2.gz RSFQHDCUWNSTOJ-ICSRJNTNSA-N 2 0 314.473 3.802 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422811671 337687721 /nfs/dbraw/zinc/68/77/21/337687721.db2.gz VBIUAZIFLOGVAS-WTGUMLROSA-N 2 0 316.489 3.570 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000422827826 337688223 /nfs/dbraw/zinc/68/82/23/337688223.db2.gz NOIDJHDLRBFFIN-AUUYWEPGSA-N 2 0 318.411 3.966 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837803 337688635 /nfs/dbraw/zinc/68/86/35/337688635.db2.gz MWEZMDFVAHMSKH-GJZGRUSLSA-N 2 0 310.441 3.504 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422860535 337689149 /nfs/dbraw/zinc/68/91/49/337689149.db2.gz LMELUPUVFFRENA-IAGOWNOFSA-N 2 0 312.457 3.619 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422860537 337689152 /nfs/dbraw/zinc/68/91/52/337689152.db2.gz LMELUPUVFFRENA-SJORKVTESA-N 2 0 312.457 3.619 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422864550 337689202 /nfs/dbraw/zinc/68/92/02/337689202.db2.gz VFNMXLMKKLVWSS-XLIONFOSSA-N 2 0 310.485 3.821 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422870833 337689419 /nfs/dbraw/zinc/68/94/19/337689419.db2.gz ZHTMATKBOZCSMB-KRWDZBQOSA-N 2 0 312.457 3.620 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422870389 337689466 /nfs/dbraw/zinc/68/94/66/337689466.db2.gz YRKPMSLTOUAZQF-QGZVFWFLSA-N 2 0 312.457 3.620 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422888563 337690176 /nfs/dbraw/zinc/69/01/76/337690176.db2.gz NIHMPVAJKCSRNT-CORIIIEPSA-N 2 0 315.288 3.902 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000422948013 337691780 /nfs/dbraw/zinc/69/17/80/337691780.db2.gz RKNSEEMXKIXJFU-CYBMUJFWSA-N 2 0 315.848 3.842 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926450 337691836 /nfs/dbraw/zinc/69/18/36/337691836.db2.gz DAHMXTDKNYLYPT-HSALFYBXSA-N 2 0 312.501 3.910 20 0 DHADRP CCCCC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422951517 337694567 /nfs/dbraw/zinc/69/45/67/337694567.db2.gz YVZNTTFJETUOGW-RNUBBMKBSA-N 2 0 322.537 3.730 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422956527 337694734 /nfs/dbraw/zinc/69/47/34/337694734.db2.gz PWWJQHJHECTKJF-DOXZYTNZSA-N 2 0 310.441 3.893 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422957584 337694858 /nfs/dbraw/zinc/69/48/58/337694858.db2.gz NMBMOWNUVHOQIF-QRVBRYPASA-N 2 0 316.489 3.699 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422957582 337694889 /nfs/dbraw/zinc/69/48/89/337694889.db2.gz NMBMOWNUVHOQIF-IPMKNSEASA-N 2 0 316.489 3.699 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422957583 337694924 /nfs/dbraw/zinc/69/49/24/337694924.db2.gz NMBMOWNUVHOQIF-OTWHNJEPSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423028231 337696265 /nfs/dbraw/zinc/69/62/65/337696265.db2.gz SJHGJKVSAHTJNG-SUNYJGFJSA-N 2 0 317.864 3.734 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423057050 337697573 /nfs/dbraw/zinc/69/75/73/337697573.db2.gz GRRNYCHQAHPORM-SLEUVZQESA-N 2 0 300.368 3.539 20 0 DHADRP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000423060295 337697695 /nfs/dbraw/zinc/69/76/95/337697695.db2.gz OBULKWRDZYGJGQ-ZFCZOSEKSA-N 2 0 323.484 3.721 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423080480 337698637 /nfs/dbraw/zinc/69/86/37/337698637.db2.gz AHCAOLISUQWPCP-QDGKJQRMSA-N 2 0 316.464 3.972 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423087537 337698741 /nfs/dbraw/zinc/69/87/41/337698741.db2.gz PRIAEHVCQITWNO-OWYHZJEWSA-N 2 0 302.437 3.713 20 0 DHADRP Cc1c2cc(Cl)ccc2sc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423095994 337699202 /nfs/dbraw/zinc/69/92/02/337699202.db2.gz GUTJJVMOIUWNAR-NEPJUHHUSA-N 2 0 308.878 3.951 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423107931 337699632 /nfs/dbraw/zinc/69/96/32/337699632.db2.gz LQIFUOSLPZWGMC-MNOVXSKESA-N 2 0 317.246 3.756 20 0 DHADRP c1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2s1 ZINC000423123393 337700531 /nfs/dbraw/zinc/70/05/31/337700531.db2.gz MPKINTHQOPTTAG-IXDOHACOSA-N 2 0 300.471 3.912 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423128332 337700752 /nfs/dbraw/zinc/70/07/52/337700752.db2.gz VRYBLYAREPLQCN-IJXRJRJASA-N 2 0 316.489 3.807 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423136485 337701237 /nfs/dbraw/zinc/70/12/37/337701237.db2.gz PGAYZZKYMMPXSU-FVQBIDKESA-N 2 0 314.395 3.700 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423135989 337701293 /nfs/dbraw/zinc/70/12/93/337701293.db2.gz OULGYLUUBJRHNL-SEVLPDGMSA-N 2 0 308.469 3.728 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000423164206 337702129 /nfs/dbraw/zinc/70/21/29/337702129.db2.gz SIDQYCPQSLBYER-WNHJNPCNSA-N 2 0 316.489 3.842 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423164882 337702158 /nfs/dbraw/zinc/70/21/58/337702158.db2.gz AMYUQFLGSZFBRP-NCZBFZFDSA-N 2 0 322.855 3.845 20 0 DHADRP C[C@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)[C@@H]1CCC[NH2+]C1 ZINC000423221626 337705441 /nfs/dbraw/zinc/70/54/41/337705441.db2.gz XEAZQKGCJIHEPY-ZOWXZIJZSA-N 2 0 310.894 3.855 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423226696 337705697 /nfs/dbraw/zinc/70/56/97/337705697.db2.gz RWEATHVYQBYOKY-GJZGRUSLSA-N 2 0 316.420 3.793 20 0 DHADRP Fc1ccccc1C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423244519 337706970 /nfs/dbraw/zinc/70/69/70/337706970.db2.gz HOXHUWKIAVITLR-JXFKEZNVSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423256332 337707758 /nfs/dbraw/zinc/70/77/58/337707758.db2.gz DZWJYNUTFUIZQB-OLZOCXBDSA-N 2 0 300.368 3.746 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000423263614 337708080 /nfs/dbraw/zinc/70/80/80/337708080.db2.gz BEMZEISXKCRWQH-DCAQKATOSA-N 2 0 317.296 3.679 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CC[C@@H]3CCC[NH2+]C3)oc21 ZINC000423264804 337708144 /nfs/dbraw/zinc/70/81/44/337708144.db2.gz ZDIKMFVVRHOBSO-CABCVRRESA-N 2 0 316.445 3.872 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1SC ZINC000423274427 337708871 /nfs/dbraw/zinc/70/88/71/337708871.db2.gz KLPZPYZZCIPBCW-AEGPPILISA-N 2 0 308.491 3.585 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000423274334 337708885 /nfs/dbraw/zinc/70/88/85/337708885.db2.gz LZKKSHKRWZYDFC-OLZOCXBDSA-N 2 0 303.475 3.625 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423278783 337709081 /nfs/dbraw/zinc/70/90/81/337709081.db2.gz RNOQDCFJEXFVPF-CABCVRRESA-N 2 0 315.486 3.850 20 0 DHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423292026 337710083 /nfs/dbraw/zinc/71/00/83/337710083.db2.gz KZTLMGXWALATFQ-KBPBESRZSA-N 2 0 311.429 3.516 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423295950 337710699 /nfs/dbraw/zinc/71/06/99/337710699.db2.gz FXZHFDGTOPZVDZ-WQVCFCJDSA-N 2 0 314.395 3.916 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294593 337710728 /nfs/dbraw/zinc/71/07/28/337710728.db2.gz UXIYBTGSVGCAPK-SJKOYZFVSA-N 2 0 314.404 3.631 20 0 DHADRP C[C@H](C[NH3+])C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423303780 337711162 /nfs/dbraw/zinc/71/11/62/337711162.db2.gz JMSVCEPWPQSGDK-VEAWUBTESA-N 2 0 314.395 3.916 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423306468 337711343 /nfs/dbraw/zinc/71/13/43/337711343.db2.gz TZRKANCCWKYIKL-OAHLLOKOSA-N 2 0 300.368 3.602 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CCCS2 ZINC000423319740 337711874 /nfs/dbraw/zinc/71/18/74/337711874.db2.gz DVEASAPPHOMIMG-MRXNPFEDSA-N 2 0 320.502 3.602 20 0 DHADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423332147 337712430 /nfs/dbraw/zinc/71/24/30/337712430.db2.gz PAFUDQXHOFKQGD-OAHLLOKOSA-N 2 0 310.869 3.779 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)ccc2c1 ZINC000423331451 337712434 /nfs/dbraw/zinc/71/24/34/337712434.db2.gz OKNHRZOMNLIJEA-YWZLYKJASA-N 2 0 312.457 3.889 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000423337925 337712654 /nfs/dbraw/zinc/71/26/54/337712654.db2.gz ULCITJBMOGIPEU-GFCCVEGCSA-N 2 0 316.367 3.626 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CC3(C)CC[NH2+]CC3)c(C)c2c1 ZINC000423337157 337712733 /nfs/dbraw/zinc/71/27/33/337712733.db2.gz TVMDQEZTWYBYRH-AWEZNQCLSA-N 2 0 316.445 3.790 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423360301 337714306 /nfs/dbraw/zinc/71/43/06/337714306.db2.gz LFNICOVVLQTHPQ-HUUCEWRRSA-N 2 0 311.267 3.632 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423369009 337715032 /nfs/dbraw/zinc/71/50/32/337715032.db2.gz DRAXKJYDXDOACT-CYZMBNFOSA-N 2 0 302.340 3.506 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423400760 337715670 /nfs/dbraw/zinc/71/56/70/337715670.db2.gz QHYCTKHNUBIZSH-UGFHNGPFSA-N 2 0 310.894 3.855 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2cccc(Br)c21 ZINC000423401782 337715740 /nfs/dbraw/zinc/71/57/40/337715740.db2.gz XJIPWEMOJJAHKW-YFCNSXCBSA-N 2 0 323.278 3.728 20 0 DHADRP COCC1(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)CC[NH2+]CC1 ZINC000423411903 337716230 /nfs/dbraw/zinc/71/62/30/337716230.db2.gz VTMPYYDGXKLBER-GOSISDBHSA-N 2 0 318.505 3.770 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423421486 337716752 /nfs/dbraw/zinc/71/67/52/337716752.db2.gz CFOBSAFBTLRMSL-OLMNPRSZSA-N 2 0 324.896 3.537 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423424269 337716963 /nfs/dbraw/zinc/71/69/63/337716963.db2.gz FPHDWAGOJIOIMA-ONGXEEELSA-N 2 0 317.296 3.605 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000423424597 337716966 /nfs/dbraw/zinc/71/69/66/337716966.db2.gz NFNFCTXLZHKLHJ-CSGOCMEYSA-N 2 0 308.510 3.612 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000423375716 337717390 /nfs/dbraw/zinc/71/73/90/337717390.db2.gz ITNJZCXDFQVDAF-XUJVJEKNSA-N 2 0 311.267 3.760 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423378022 337717490 /nfs/dbraw/zinc/71/74/90/337717490.db2.gz LYTMBAIQOSVFMW-ZOBUZTSGSA-N 2 0 320.477 3.665 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000423383059 337717697 /nfs/dbraw/zinc/71/76/97/337717697.db2.gz KIGMSSYKNRUVRL-ZACQAIPSSA-N 2 0 320.477 3.795 20 0 DHADRP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423444157 337719455 /nfs/dbraw/zinc/71/94/55/337719455.db2.gz QYFBUMWWSPURMG-DOPJRALCSA-N 2 0 304.503 3.837 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCCC2)o1 ZINC000423443666 337719525 /nfs/dbraw/zinc/71/95/25/337719525.db2.gz QOPZQGABAICLKD-YQVWRLOYSA-N 2 0 302.462 3.797 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1Cl ZINC000423446445 337719595 /nfs/dbraw/zinc/71/95/95/337719595.db2.gz CPWLNLJIYNIZRZ-GJZGRUSLSA-N 2 0 312.885 3.913 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423446341 337719683 /nfs/dbraw/zinc/71/96/83/337719683.db2.gz CNCLDSSGWPLOCS-AUUYWEPGSA-N 2 0 309.413 3.634 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423451620 337720086 /nfs/dbraw/zinc/72/00/86/337720086.db2.gz YINIHTQTRHYYMX-TUKIKUTGSA-N 2 0 321.534 3.788 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000423456525 337720402 /nfs/dbraw/zinc/72/04/02/337720402.db2.gz NYDZAXATDXEMME-WDMOLILDSA-N 2 0 311.267 3.714 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000423461731 337720621 /nfs/dbraw/zinc/72/06/21/337720621.db2.gz OFXFJKXBWGXMDZ-XFJVYGCCSA-N 2 0 323.278 3.544 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)oc21 ZINC000423463929 337720630 /nfs/dbraw/zinc/72/06/30/337720630.db2.gz GBPFZGJVMHVBFW-GZBFAFLISA-N 2 0 302.418 3.610 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423469591 337721024 /nfs/dbraw/zinc/72/10/24/337721024.db2.gz CTVBYISPLJXXEK-DOMZBBRYSA-N 2 0 300.368 3.888 20 0 DHADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423470311 337721157 /nfs/dbraw/zinc/72/11/57/337721157.db2.gz DCUICFPLIKLYAE-HOCLYGCPSA-N 2 0 310.869 3.922 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC(C(F)(F)F)CC1 ZINC000423472978 337721301 /nfs/dbraw/zinc/72/13/01/337721301.db2.gz NNDXZLGCNBECRB-FKQQDJLNSA-N 2 0 306.416 3.851 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423473942 337721433 /nfs/dbraw/zinc/72/14/33/337721433.db2.gz HAKIIOHZUDAQLJ-ZBFHGGJFSA-N 2 0 308.853 3.676 20 0 DHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423475889 337721533 /nfs/dbraw/zinc/72/15/33/337721533.db2.gz IFKUNJBVQBARBH-GDBMZVCRSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423474995 337721557 /nfs/dbraw/zinc/72/15/57/337721557.db2.gz ZOSZJOMYJAGTIB-YWPYICTPSA-N 2 0 311.267 3.617 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000423493586 337722673 /nfs/dbraw/zinc/72/26/73/337722673.db2.gz BXWIFJPBRRQKPX-DJSGYFEHSA-N 2 0 323.278 3.544 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423491857 337722684 /nfs/dbraw/zinc/72/26/84/337722684.db2.gz ZTIWZLPOJGQZIG-SJLPKXTDSA-N 2 0 302.462 3.639 20 0 DHADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)C2CC3CC(C2)CC1C3 ZINC000423531762 337724684 /nfs/dbraw/zinc/72/46/84/337724684.db2.gz UAXGQBOMRDVJBS-RIFVKUKGSA-N 2 0 308.485 3.648 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CCCS2 ZINC000423481481 337725025 /nfs/dbraw/zinc/72/50/25/337725025.db2.gz WTFNQLMUMZLUAE-JJRVBVJISA-N 2 0 320.502 3.729 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CCCC2)o1 ZINC000423539663 337725081 /nfs/dbraw/zinc/72/50/81/337725081.db2.gz IQHNVCPPAMILMY-DODZYUBVSA-N 2 0 302.462 3.797 20 0 DHADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000423554533 337725506 /nfs/dbraw/zinc/72/55/06/337725506.db2.gz WRSHXNIPHZJWCI-YSFYHYPLSA-N 2 0 320.480 3.948 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423567871 337725617 /nfs/dbraw/zinc/72/56/17/337725617.db2.gz VEPZMIDBWBCFBV-INIZCTEOSA-N 2 0 302.462 3.682 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)c1 ZINC000423571892 337725644 /nfs/dbraw/zinc/72/56/44/337725644.db2.gz XYIMNGRHBVTRRY-INIZCTEOSA-N 2 0 312.379 3.888 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cncn2C(C)C)c1 ZINC000424126473 337749703 /nfs/dbraw/zinc/74/97/03/337749703.db2.gz BTXAIQKMBSWZPX-UHFFFAOYSA-N 2 0 314.477 3.596 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000122714244 337924153 /nfs/dbraw/zinc/92/41/53/337924153.db2.gz ZNBXRTJBQAXKOV-GFCCVEGCSA-N 2 0 314.395 3.877 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCC[NH+](C)C ZINC000514761150 337970346 /nfs/dbraw/zinc/97/03/46/337970346.db2.gz GTQHJQVFHYTLNB-OWBHPGMISA-N 2 0 312.404 3.623 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000426168157 338022096 /nfs/dbraw/zinc/02/20/96/338022096.db2.gz XZWCEGZRQNDFNF-SREVYHEPSA-N 2 0 315.505 3.929 20 0 DHADRP CCCc1csc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000426422612 338031879 /nfs/dbraw/zinc/03/18/79/338031879.db2.gz VSFTYBAKAIREOP-PBHICJAKSA-N 2 0 319.518 3.544 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CCC(c4ccccc4)CC3)C2)C1 ZINC000429024326 338069121 /nfs/dbraw/zinc/06/91/21/338069121.db2.gz AGOOKQUJQJMKBL-DQVLVPHSSA-N 2 0 312.501 3.988 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC45CCCC5)[C@@H]3C2)cc1 ZINC000429401699 338079721 /nfs/dbraw/zinc/07/97/21/338079721.db2.gz AZYDYBRSMGUIOA-ZGXWSNOMSA-N 2 0 310.485 3.819 20 0 DHADRP CC(C)C[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430139415 338098630 /nfs/dbraw/zinc/09/86/30/338098630.db2.gz PTBCONMNJLJMCB-PMACEKPBSA-N 2 0 300.490 3.844 20 0 DHADRP FC1(F)CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000430753795 338113760 /nfs/dbraw/zinc/11/37/60/338113760.db2.gz LPLPSTYAPMOXKZ-AWEZNQCLSA-N 2 0 300.437 3.809 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]CCSCc2ccccc2)CC1 ZINC000430780404 338114745 /nfs/dbraw/zinc/11/47/45/338114745.db2.gz LVCYQGAMRCWNCI-UHFFFAOYSA-N 2 0 306.519 3.631 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000430935217 338119107 /nfs/dbraw/zinc/11/91/07/338119107.db2.gz SCCYXNBLUXULCO-MRXNPFEDSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431602319 338134508 /nfs/dbraw/zinc/13/45/08/338134508.db2.gz FQZOFXMAPXILFP-ZWKOTPCHSA-N 2 0 318.530 3.975 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422032 338156005 /nfs/dbraw/zinc/15/60/05/338156005.db2.gz CDUVQJHGPIXKSM-SQGPQFPESA-N 2 0 316.489 3.716 20 0 DHADRP CCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423842 338156116 /nfs/dbraw/zinc/15/61/16/338156116.db2.gz LJJIRPWBTHXEJU-QZTJIDSGSA-N 2 0 318.505 3.791 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc(C)c1F ZINC000432431558 338156352 /nfs/dbraw/zinc/15/63/52/338156352.db2.gz WSRVIVGNAYDGOD-IAGOWNOFSA-N 2 0 322.468 3.594 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753574 338166424 /nfs/dbraw/zinc/16/64/24/338166424.db2.gz VGYCATMMDSQIEV-SWLSCSKDSA-N 2 0 321.465 3.598 20 0 DHADRP CCc1ccc([C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000433062663 338179564 /nfs/dbraw/zinc/17/95/64/338179564.db2.gz VAPXICVZGVPWIJ-PMACEKPBSA-N 2 0 300.490 3.913 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CC(C)(C)C3)cc2)C[C@@H](C)O1 ZINC000433155970 338183347 /nfs/dbraw/zinc/18/33/47/338183347.db2.gz GYUNZHQXSRUBLP-HZPDHXFCSA-N 2 0 316.489 3.574 20 0 DHADRP CC[C@H](F)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433166260 338183769 /nfs/dbraw/zinc/18/37/69/338183769.db2.gz JSBOMXHKJWACPE-SFHVURJKSA-N 2 0 304.453 3.723 20 0 DHADRP Cc1ccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435371565 338238285 /nfs/dbraw/zinc/23/82/85/338238285.db2.gz NNHIFVHNDMPKIC-FQEVSTJZSA-N 2 0 309.457 3.534 20 0 DHADRP CC[N@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435393813 338238825 /nfs/dbraw/zinc/23/88/25/338238825.db2.gz KXQKDYRMXDGGHR-QGZVFWFLSA-N 2 0 317.864 3.852 20 0 DHADRP Cc1ccc(-c2ncc(CN(C)[C@@H]3CCC[NH2+]CC3)s2)cc1 ZINC000435448273 338240431 /nfs/dbraw/zinc/24/04/31/338240431.db2.gz UMZSDLKTDGNQHQ-MRXNPFEDSA-N 2 0 315.486 3.692 20 0 DHADRP Cc1cccc(C)c1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614889 338243602 /nfs/dbraw/zinc/24/36/02/338243602.db2.gz FYUQJNNIDNBKJE-HXUWFJFHSA-N 2 0 323.484 3.843 20 0 DHADRP Cc1cccc(C)c1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435614888 338243613 /nfs/dbraw/zinc/24/36/13/338243613.db2.gz FYUQJNNIDNBKJE-FQEVSTJZSA-N 2 0 323.484 3.843 20 0 DHADRP c1ccc(C[N@@H+](CCC2CCCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435629903 338243857 /nfs/dbraw/zinc/24/38/57/338243857.db2.gz VLAVMMROSKVRNF-IBGZPJMESA-N 2 0 301.478 3.606 20 0 DHADRP c1csc(C[N@@H+](CCC2CCCC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435691623 338245535 /nfs/dbraw/zinc/24/55/35/338245535.db2.gz HDTQFRRNTBUJIO-MRXNPFEDSA-N 2 0 319.518 3.668 20 0 DHADRP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161933848 338255608 /nfs/dbraw/zinc/25/56/08/338255608.db2.gz DYEVZTVMLLBZGA-BEFAXECRSA-N 2 0 307.441 3.688 20 0 DHADRP C[C@H](C[NH2+]Cc1cc2c(cccc2F)[nH]1)C[NH+]1CCCCC1 ZINC000436286713 338266176 /nfs/dbraw/zinc/26/61/76/338266176.db2.gz HLTFNAXLPQNXPF-CQSZACIVSA-N 2 0 303.425 3.519 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000437581545 338314587 /nfs/dbraw/zinc/31/45/87/338314587.db2.gz LNTDSLHVOLWBNH-INIZCTEOSA-N 2 0 306.469 3.983 20 0 DHADRP CCSCC[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000437780982 338321211 /nfs/dbraw/zinc/32/12/11/338321211.db2.gz DXDHFVDENBANTO-AEFFLSMTSA-N 2 0 306.519 3.630 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000438088958 338330897 /nfs/dbraw/zinc/33/08/97/338330897.db2.gz SHXNGUIIDRLDQH-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000438172884 338334671 /nfs/dbraw/zinc/33/46/71/338334671.db2.gz CFASYVIMOYAVAA-GOSISDBHSA-N 2 0 316.489 3.579 20 0 DHADRP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440323555 338385497 /nfs/dbraw/zinc/38/54/97/338385497.db2.gz AHOGNWYPANHGQD-HXUWFJFHSA-N 2 0 300.490 3.878 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446886727 338539538 /nfs/dbraw/zinc/53/95/38/338539538.db2.gz JERFSNVHGYZOGA-KGLIPLIRSA-N 2 0 304.400 3.572 20 0 DHADRP COC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CCCC1 ZINC000446934569 338541228 /nfs/dbraw/zinc/54/12/28/338541228.db2.gz BDPJRIMWGOTABW-SOAGJPPSSA-N 2 0 322.537 3.824 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000447045290 338543589 /nfs/dbraw/zinc/54/35/89/338543589.db2.gz AJWGUGJVUCJETH-GOSISDBHSA-N 2 0 304.865 3.791 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447576088 338558200 /nfs/dbraw/zinc/55/82/00/338558200.db2.gz ALHWMLYDLMGIQW-VBKZILBWSA-N 2 0 316.464 3.913 20 0 DHADRP C[NH+]1CCC(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449129441 338595785 /nfs/dbraw/zinc/59/57/85/338595785.db2.gz CHEUGMXRIUSNQL-UHFFFAOYSA-N 3 0 323.569 3.597 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449175983 338599351 /nfs/dbraw/zinc/59/93/51/338599351.db2.gz LLJVXGOFRIXYBY-KSZLIROESA-N 2 0 308.510 3.578 20 0 DHADRP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449250804 338606860 /nfs/dbraw/zinc/60/68/60/338606860.db2.gz PZDSEIKDBDKGCU-OZSKJFCKSA-N 2 0 310.526 3.582 20 0 DHADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322560 338612861 /nfs/dbraw/zinc/61/28/61/338612861.db2.gz XTJYDZVLFZKYSS-INIZCTEOSA-N 2 0 312.542 3.520 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c2nccn21 ZINC000453166934 338801915 /nfs/dbraw/zinc/80/19/15/338801915.db2.gz HSPCATDQPCYCBL-CPFNUKBASA-N 2 0 316.493 3.522 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000164478715 338985480 /nfs/dbraw/zinc/98/54/80/338985480.db2.gz CAQRZXLOTRKXQR-UHFFFAOYSA-N 2 0 315.505 3.510 20 0 DHADRP CC(C)OC1CC([N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000459354511 339024054 /nfs/dbraw/zinc/02/40/54/339024054.db2.gz XWVUJCABDVQHFV-YXWAVELNSA-N 2 0 308.510 3.529 20 0 DHADRP Clc1cccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000459364542 339024622 /nfs/dbraw/zinc/02/46/22/339024622.db2.gz SOKQUESSSKJFOG-VQIMIIECSA-N 2 0 318.892 3.831 20 0 DHADRP Clc1cccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000459364534 339024741 /nfs/dbraw/zinc/02/47/41/339024741.db2.gz SOKQUESSSKJFOG-LPHOPBHVSA-N 2 0 318.892 3.831 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459639715 339039810 /nfs/dbraw/zinc/03/98/10/339039810.db2.gz VWBFMLPEJJHYRH-GDAAHCPNSA-N 2 0 308.510 3.575 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000459730527 339044907 /nfs/dbraw/zinc/04/49/07/339044907.db2.gz KNAXFTDFWMILHI-CYBMUJFWSA-N 2 0 321.515 3.693 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459791019 339048807 /nfs/dbraw/zinc/04/88/07/339048807.db2.gz RODYSNWEWMJPCO-CVEARBPZSA-N 2 0 306.519 3.661 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C12CCC2 ZINC000459798379 339049193 /nfs/dbraw/zinc/04/91/93/339049193.db2.gz XMMVSFJFLFPUPU-OQIJWPOYSA-N 2 0 320.521 3.577 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(OCC(C)C)cc2)CC1 ZINC000462756352 339087230 /nfs/dbraw/zinc/08/72/30/339087230.db2.gz TWPUVGQTQLZQMW-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCC(C)(C)CC1 ZINC000462771941 339087721 /nfs/dbraw/zinc/08/77/21/339087721.db2.gz GDUJQRKXJQFJRK-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000462774910 339088066 /nfs/dbraw/zinc/08/80/66/339088066.db2.gz PIVGASCQINFHQQ-WMZOPIPTSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000463014140 339100439 /nfs/dbraw/zinc/10/04/39/339100439.db2.gz UFRKMKASLLFBDL-RBUKOAKNSA-N 2 0 322.537 3.965 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463113528 339106203 /nfs/dbraw/zinc/10/62/03/339106203.db2.gz CQBZJMAQZCPNMX-UHFFFAOYSA-N 2 0 317.521 3.757 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCC2CCOCC2)C1 ZINC000463281235 339113187 /nfs/dbraw/zinc/11/31/87/339113187.db2.gz PFXIQGSOXJWQIV-QUCCMNQESA-N 2 0 322.537 3.780 20 0 DHADRP Cc1cc(Cl)ccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000463738503 339125253 /nfs/dbraw/zinc/12/52/53/339125253.db2.gz WVZQACICMMNAKJ-HOTGVXAUSA-N 2 0 324.896 3.627 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000467311810 339231270 /nfs/dbraw/zinc/23/12/70/339231270.db2.gz WNJRCMIMQICZGE-INIZCTEOSA-N 2 0 320.452 3.720 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)[C@H](C)C1 ZINC000468960823 339276083 /nfs/dbraw/zinc/27/60/83/339276083.db2.gz MDRNEEORLWOQRE-PBHICJAKSA-N 2 0 308.897 3.938 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2Cl)[C@@H](C)C1 ZINC000469088727 339279818 /nfs/dbraw/zinc/27/98/18/339279818.db2.gz VEEGXVXCJPQPAN-YOEHRIQHSA-N 2 0 308.897 3.938 20 0 DHADRP CC[NH+](CC)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000469257810 339284413 /nfs/dbraw/zinc/28/44/13/339284413.db2.gz PKUYEUXAJRGRJQ-RBUKOAKNSA-N 2 0 301.478 3.567 20 0 DHADRP CC[NH+](CC)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000469257798 339284472 /nfs/dbraw/zinc/28/44/72/339284472.db2.gz PKUYEUXAJRGRJQ-OALUTQOASA-N 2 0 301.478 3.567 20 0 DHADRP COC(C)(C)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469761372 339298067 /nfs/dbraw/zinc/29/80/67/339298067.db2.gz SYODOADNCSXXCI-DZFIZOCASA-N 2 0 318.505 3.548 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]21 ZINC000469871229 339303307 /nfs/dbraw/zinc/30/33/07/339303307.db2.gz LJQKBPKXVCRIIW-NSISKUIASA-N 2 0 314.473 3.567 20 0 DHADRP Fc1ccccc1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000469880696 339303647 /nfs/dbraw/zinc/30/36/47/339303647.db2.gz MPAGVVNSKMFNBX-MRXNPFEDSA-N 2 0 304.453 3.612 20 0 DHADRP CC(C)CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000470008399 339308289 /nfs/dbraw/zinc/30/82/89/339308289.db2.gz IDUDWFGWZJBCJI-DFNIBXOVSA-N 2 0 316.489 3.826 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000470011836 339308458 /nfs/dbraw/zinc/30/84/58/339308458.db2.gz NBZVXBWMXMBQPW-OAHLLOKOSA-N 2 0 300.471 3.847 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000470015061 339308622 /nfs/dbraw/zinc/30/86/22/339308622.db2.gz JVIRHFPBVPWYPV-UHFFFAOYSA-N 2 0 315.486 3.550 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000470022484 339308948 /nfs/dbraw/zinc/30/89/48/339308948.db2.gz MNKSCQPAJAUJPK-CQSZACIVSA-N 2 0 300.471 3.974 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(Cl)c2)C[C@@H]1C ZINC000470201505 339313961 /nfs/dbraw/zinc/31/39/61/339313961.db2.gz HVCTVGOJCKSECY-GOEBONIOSA-N 2 0 310.869 3.523 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2c1C ZINC000472041246 339360222 /nfs/dbraw/zinc/36/02/22/339360222.db2.gz DNZWMAMZHRBKQB-UHFFFAOYSA-N 2 0 311.473 3.891 20 0 DHADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000472571739 339373878 /nfs/dbraw/zinc/37/38/78/339373878.db2.gz RRKKBSIUZZKYAH-RLLQIKCJSA-N 2 0 300.490 3.814 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CSc2ccccc2)C1 ZINC000472575620 339374091 /nfs/dbraw/zinc/37/40/91/339374091.db2.gz UZCPZJXLEGNBDM-MSOLQXFVSA-N 2 0 318.530 3.975 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCCCC1 ZINC000474470878 339415973 /nfs/dbraw/zinc/41/59/73/339415973.db2.gz MPKVSTPQYUJFIA-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479864092 339551348 /nfs/dbraw/zinc/55/13/48/339551348.db2.gz HKNYSZCNDQXWKK-JTDSTZFVSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC000480670389 339582527 /nfs/dbraw/zinc/58/25/27/339582527.db2.gz PMEDYVCOWLVKOM-NFAWXSAZSA-N 2 0 306.416 3.818 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000482067567 339621628 /nfs/dbraw/zinc/62/16/28/339621628.db2.gz IQMBYRLBRJKQER-DOTOQJQBSA-N 2 0 304.453 3.926 20 0 DHADRP CCC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000484273817 339683451 /nfs/dbraw/zinc/68/34/51/339683451.db2.gz CMDHTPBCBWVVDE-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000484500636 339688282 /nfs/dbraw/zinc/68/82/82/339688282.db2.gz NZKJLTUWSFVRNP-GPMSIDNRSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1[nH+]ccc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1Cl ZINC000486451682 339727541 /nfs/dbraw/zinc/72/75/41/339727541.db2.gz YAQWXSAAOQSSQX-MRXNPFEDSA-N 2 0 321.896 3.992 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000487273101 339748398 /nfs/dbraw/zinc/74/83/98/339748398.db2.gz MSNHTPZHOKOTFB-UHFFFAOYSA-N 2 0 310.869 3.560 20 0 DHADRP Cc1nc2ccc(C[NH2+]C[C@@H](C)C[NH+]3CCCCC3)cc2s1 ZINC000494336973 339946874 /nfs/dbraw/zinc/94/68/74/339946874.db2.gz YZEJGAZFZLGPGX-CQSZACIVSA-N 2 0 317.502 3.816 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000494356380 339947352 /nfs/dbraw/zinc/94/73/52/339947352.db2.gz DGPKVTXDDKVVHT-UHFFFAOYSA-N 2 0 318.505 3.681 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000494906848 339964308 /nfs/dbraw/zinc/96/43/08/339964308.db2.gz FSZDIKVSOIPJNC-TWOQFEAHSA-N 2 0 316.489 3.541 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCSC2CCCCC2)C1 ZINC000500126177 340050790 /nfs/dbraw/zinc/05/07/90/340050790.db2.gz SIJKNMRXTAIYOM-KRWDZBQOSA-N 2 0 310.551 3.716 20 0 DHADRP CC(C)CSCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501795705 340088930 /nfs/dbraw/zinc/08/89/30/340088930.db2.gz RJSJZNSAKBWZQT-UHFFFAOYSA-N 2 0 300.556 3.820 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCOC)cc1 ZINC000502684208 340110285 /nfs/dbraw/zinc/11/02/85/340110285.db2.gz AKYLGBPHJYEULA-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@@H](C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000503004778 340118508 /nfs/dbraw/zinc/11/85/08/340118508.db2.gz KTQUNTGUOCBOIN-OTWHNJEPSA-N 2 0 318.505 3.659 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000506878600 340203025 /nfs/dbraw/zinc/20/30/25/340203025.db2.gz ZURQKWCFKOJIPC-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000507425863 340219125 /nfs/dbraw/zinc/21/91/25/340219125.db2.gz XCTZNCWRKZNJBP-RTBURBONSA-N 2 0 300.490 3.719 20 0 DHADRP FC(F)(F)CCN1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000507446393 340220012 /nfs/dbraw/zinc/22/00/12/340220012.db2.gz TYCJMTPMVACQMH-QPJJXVBHSA-N 2 0 312.379 3.706 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000507470478 340221326 /nfs/dbraw/zinc/22/13/26/340221326.db2.gz MVOSFELVPIXZDZ-DLBZAZTESA-N 2 0 303.494 3.807 20 0 DHADRP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCOC1 ZINC000507505271 340223062 /nfs/dbraw/zinc/22/30/62/340223062.db2.gz CWWSUBFMXWKZQS-QZTJIDSGSA-N 2 0 308.510 3.580 20 0 DHADRP CC[C@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000507798871 340231951 /nfs/dbraw/zinc/23/19/51/340231951.db2.gz SMGTWDNEUJYRML-PMACEKPBSA-N 2 0 322.537 3.780 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000402549427 340242219 /nfs/dbraw/zinc/24/22/19/340242219.db2.gz DNHBCPBIXRXGEN-GBJTYRQASA-N 2 0 306.416 3.865 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086583554 340251839 /nfs/dbraw/zinc/25/18/39/340251839.db2.gz NGLZIMOEZYWBFX-AWEZNQCLSA-N 2 0 312.885 3.949 20 0 DHADRP CCOC1CC(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000509021637 340258173 /nfs/dbraw/zinc/25/81/73/340258173.db2.gz KXANFUYNUJQZRY-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP FCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509375882 340267813 /nfs/dbraw/zinc/26/78/13/340267813.db2.gz XZDKLJTYQLVFSN-OALUTQOASA-N 2 0 304.453 3.723 20 0 DHADRP COc1cccc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000302832993 340283400 /nfs/dbraw/zinc/28/34/00/340283400.db2.gz YUUJTSNJUVINFU-KRWDZBQOSA-N 2 0 312.457 3.868 20 0 DHADRP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000303041107 340297641 /nfs/dbraw/zinc/29/76/41/340297641.db2.gz SIJMQWJJOMUGIE-HXUWFJFHSA-N 2 0 300.490 3.939 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393960 340297818 /nfs/dbraw/zinc/29/78/18/340297818.db2.gz HMQFTGNEXNRDMU-MNEFBYGVSA-N 2 0 302.437 3.619 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000510396998 340297941 /nfs/dbraw/zinc/29/79/41/340297941.db2.gz OOXSDKFBWFWSMJ-KXBFYZLASA-N 2 0 304.453 3.867 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C(C)(C)C ZINC000512050638 340346666 /nfs/dbraw/zinc/34/66/66/340346666.db2.gz CYTBOWNTDYOUTG-LXXRFIIISA-N 2 0 310.432 3.934 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512082356 340347911 /nfs/dbraw/zinc/34/79/11/340347911.db2.gz IRJUCSKETZSWQF-LLCTXKFZSA-N 2 0 308.416 3.688 20 0 DHADRP C[N@H+](CCOc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512541928 340366157 /nfs/dbraw/zinc/36/61/57/340366157.db2.gz JISFAEMTXYQFAT-YOFSQIOKSA-N 2 0 324.468 3.776 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2SCCc3ccccc32)CC1 ZINC000513017168 340388718 /nfs/dbraw/zinc/38/87/18/340388718.db2.gz JBVWZFYAJUJNDI-GOSISDBHSA-N 2 0 318.530 3.870 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000513223707 340398064 /nfs/dbraw/zinc/39/80/64/340398064.db2.gz NQLDTRYIFJPWKL-IEBWSBKVSA-N 2 0 324.553 3.950 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513224869 340398290 /nfs/dbraw/zinc/39/82/90/340398290.db2.gz WOLBGBJITFLHNR-PKOBYXMFSA-N 2 0 324.553 3.950 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513234309 340398678 /nfs/dbraw/zinc/39/86/78/340398678.db2.gz VORVUWHSSRMIQH-HOJAQTOUSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000177316200 340439251 /nfs/dbraw/zinc/43/92/51/340439251.db2.gz TTXYRHQZAQACMT-AWEZNQCLSA-N 2 0 306.881 3.940 20 0 DHADRP Cc1cc(OCC[NH+]2CCC(C[NH+](C)C)CC2)ccc1C(C)C ZINC000524369693 340653322 /nfs/dbraw/zinc/65/33/22/340653322.db2.gz GJDPWMKBYOPZBF-UHFFFAOYSA-N 2 0 318.505 3.771 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H](c2ccccc2)C1 ZINC000126400758 340826786 /nfs/dbraw/zinc/82/67/86/340826786.db2.gz AFCOMVWOHQWBRL-PWIZWCRZSA-N 2 0 300.490 3.890 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000541280975 340965326 /nfs/dbraw/zinc/96/53/26/340965326.db2.gz BBQCJOOEIKNBLW-UHFFFAOYSA-N 2 0 310.432 3.561 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000541737221 340981660 /nfs/dbraw/zinc/98/16/60/340981660.db2.gz RGYMIEGXIKMJGR-RDTXWAMCSA-N 2 0 324.896 3.664 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000544021516 341066962 /nfs/dbraw/zinc/06/69/62/341066962.db2.gz XBDSHNKRLSLWDH-IEBWSBKVSA-N 2 0 318.480 3.955 20 0 DHADRP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000544115937 341070828 /nfs/dbraw/zinc/07/08/28/341070828.db2.gz COHCSDSDRGUNII-WDYCEAGBSA-N 2 0 302.462 3.562 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCCCC1 ZINC000544379546 341079182 /nfs/dbraw/zinc/07/91/82/341079182.db2.gz PCERJTWOYAJROS-KURKYZTESA-N 2 0 310.526 3.824 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccsc4)CC3)c2c1 ZINC000546191040 341156924 /nfs/dbraw/zinc/15/69/24/341156924.db2.gz XUWPWQYNOIXEOV-UHFFFAOYSA-N 2 0 323.465 3.927 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000564318721 341210080 /nfs/dbraw/zinc/21/00/80/341210080.db2.gz ALVGEHYLJBXQNJ-YJYMSZOUSA-N 2 0 313.420 3.716 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@](F)(c2ccccc2F)C1 ZINC000549413289 341293934 /nfs/dbraw/zinc/29/39/34/341293934.db2.gz KPGNEOHERSKUQV-CRAIPNDOSA-N 2 0 308.416 3.571 20 0 DHADRP CCc1cc(OC)ccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000550263498 341313786 /nfs/dbraw/zinc/31/37/86/341313786.db2.gz OJSUBJITUPWUEN-UHFFFAOYSA-N 2 0 304.478 3.613 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000550829061 341323823 /nfs/dbraw/zinc/32/38/23/341323823.db2.gz RMZGZXOEAGFABQ-DBDQLMEASA-N 2 0 302.437 3.534 20 0 DHADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C[C@H](C)O1 ZINC000551063019 341330648 /nfs/dbraw/zinc/33/06/48/341330648.db2.gz HKFYVNZSHOBVNJ-WSTZPKSXSA-N 2 0 320.521 3.697 20 0 DHADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000551543078 341344921 /nfs/dbraw/zinc/34/49/21/341344921.db2.gz QXOMBXUGSPMSQB-JKSUJKDBSA-N 2 0 314.395 3.883 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246376300 341345601 /nfs/dbraw/zinc/34/56/01/341345601.db2.gz JSXLIQIHOYUBJC-IAGOWNOFSA-N 2 0 304.478 3.714 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(C)C)[C@@H](C)C1 ZINC000246384977 341346529 /nfs/dbraw/zinc/34/65/29/341346529.db2.gz KHTLSUQXTFEYDQ-WMZOPIPTSA-N 2 0 304.478 3.509 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)CC2 ZINC000246449097 341349173 /nfs/dbraw/zinc/34/91/73/341349173.db2.gz PBXWAHDAVOCZSF-JXFKEZNVSA-N 2 0 316.489 3.640 20 0 DHADRP CCC[C@@H](CC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551814619 341352804 /nfs/dbraw/zinc/35/28/04/341352804.db2.gz ZZEOVJSUFMIAHW-QGZVFWFLSA-N 2 0 304.478 3.828 20 0 DHADRP CCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000247045714 341360229 /nfs/dbraw/zinc/36/02/29/341360229.db2.gz MYIQALSNTBSQOI-APWZRJJASA-N 2 0 304.478 3.685 20 0 DHADRP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000247045731 341360256 /nfs/dbraw/zinc/36/02/56/341360256.db2.gz MYIQALSNTBSQOI-VQIMIIECSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552063657 341366528 /nfs/dbraw/zinc/36/65/28/341366528.db2.gz HIJHRDDQSYFQNM-WOJBJXKFSA-N 2 0 316.489 3.684 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000248060423 341372948 /nfs/dbraw/zinc/37/29/48/341372948.db2.gz YICWZMHQEYDVGQ-MDZRGWNJSA-N 2 0 322.468 3.613 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000248124371 341373690 /nfs/dbraw/zinc/37/36/90/341373690.db2.gz NTCNAKZHAGJRSQ-PASDCYSWSA-N 2 0 304.478 3.507 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)c[nH]c21 ZINC000248147798 341374089 /nfs/dbraw/zinc/37/40/89/341374089.db2.gz QKATVVHSSQTQQE-DNVCBOLYSA-N 2 0 313.489 3.593 20 0 DHADRP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552225205 341379433 /nfs/dbraw/zinc/37/94/33/341379433.db2.gz DLUQLWHBEMPNLF-AQNXPRMDSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000552252346 341381539 /nfs/dbraw/zinc/38/15/39/341381539.db2.gz JPLPDSSCCHTDNJ-CQSZACIVSA-N 2 0 322.443 3.892 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@H]2CCC[C@@H]21 ZINC000552275037 341383251 /nfs/dbraw/zinc/38/32/51/341383251.db2.gz IXKSXGSXZBGSEH-JLSDUUJJSA-N 2 0 318.892 3.834 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000249373011 341396757 /nfs/dbraw/zinc/39/67/57/341396757.db2.gz FAQSEVGYPMIXLP-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000249384500 341396987 /nfs/dbraw/zinc/39/69/87/341396987.db2.gz XWGIBMOGXBUECZ-VXGBXAGGSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000564649653 341506028 /nfs/dbraw/zinc/50/60/28/341506028.db2.gz IZHZWJXNDGNAKU-KEYYUXOJSA-N 2 0 300.450 3.524 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000314949507 341653535 /nfs/dbraw/zinc/65/35/35/341653535.db2.gz MXZZEATVPWCKDE-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C(C)C)cc2)CC[NH+](C)CC1 ZINC000576745676 341861191 /nfs/dbraw/zinc/86/11/91/341861191.db2.gz VBGPEKYWPMSJOC-UHFFFAOYSA-N 2 0 306.519 3.727 20 0 DHADRP FC(F)(F)C1CCC(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000178215558 341949523 /nfs/dbraw/zinc/94/95/23/341949523.db2.gz BZMOFVBOJGIAMW-UHFFFAOYSA-N 2 0 318.427 3.819 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CC3 ZINC000578005259 341968287 /nfs/dbraw/zinc/96/82/87/341968287.db2.gz XELBRDYRNGJDMU-CFLQYTFWSA-N 2 0 311.473 3.583 20 0 DHADRP CCC1(C[NH2+]Cc2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000338334924 519842904 /nfs/dbraw/zinc/84/29/04/519842904.db2.gz SYYWZQZLJACUTQ-UHFFFAOYSA-N 2 0 323.484 3.864 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000131308088 520636895 /nfs/dbraw/zinc/63/68/95/520636895.db2.gz ZNDKBUNXDMLCCY-WJONJSRFSA-N 2 0 324.534 3.585 20 0 DHADRP CCn1cc([C@H](C)[NH2+]Cc2cccc(C[NH+](CC)CC)c2)cn1 ZINC000163540548 520754194 /nfs/dbraw/zinc/75/41/94/520754194.db2.gz DKTVZNSSPWOQAM-INIZCTEOSA-N 2 0 314.477 3.596 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000163304564 521711660 /nfs/dbraw/zinc/71/16/60/521711660.db2.gz DKUPDOFBPFSNAW-FUHWJXTLSA-N 2 0 314.473 3.754 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCC[C@@H]2CCCF)ccc1F ZINC000338000607 521889866 /nfs/dbraw/zinc/88/98/66/521889866.db2.gz YQRXPHYVENNYHX-QAPCUYQASA-N 2 0 310.432 3.895 20 0 DHADRP C[NH+](C/C=C/C[N@@H+](C)Cc1cccs1)Cc1cccs1 ZINC000338374891 522406172 /nfs/dbraw/zinc/40/61/72/522406172.db2.gz MUEHHUVQXGTVQG-ONEGZZNKSA-N 2 0 306.500 3.930 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293376 522854668 /nfs/dbraw/zinc/85/46/68/522854668.db2.gz ZDAHZBGNAUKGEW-XJKSGUPXSA-N 2 0 312.404 3.671 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000364897126 523349198 /nfs/dbraw/zinc/34/91/98/523349198.db2.gz RVMJQVZHTJLHSO-PMACEKPBSA-N 2 0 316.489 3.542 20 0 DHADRP C[N@@H+](Cc1cnc(-c2ccccc2)s1)CC1CC[NH+](C)CC1 ZINC000172534379 523496263 /nfs/dbraw/zinc/49/62/63/523496263.db2.gz WWZPLBULAVIMBG-UHFFFAOYSA-N 2 0 315.486 3.584 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000158142471 524437477 /nfs/dbraw/zinc/43/74/77/524437477.db2.gz LDDRIYMSUIVGAE-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000337316705 524758127 /nfs/dbraw/zinc/75/81/27/524758127.db2.gz KSGZQGMTYNLAIN-LQWHRVPQSA-N 2 0 323.484 3.513 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000180889863 524806638 /nfs/dbraw/zinc/80/66/38/524806638.db2.gz ZHABOTQVXYQQDY-XKGZKEIXSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000155912284 524909829 /nfs/dbraw/zinc/90/98/29/524909829.db2.gz VIQQNASSNNEOMA-JTDSTZFVSA-N 2 0 318.505 3.820 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000364172117 524916168 /nfs/dbraw/zinc/91/61/68/524916168.db2.gz XDSKXXWEKPTINC-JXXFODFXSA-N 2 0 309.457 3.567 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000158178141 525439624 /nfs/dbraw/zinc/43/96/24/525439624.db2.gz OSQQCWHQQFXHRQ-IAQYHMDHSA-N 2 0 301.261 3.608 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124287544 525455329 /nfs/dbraw/zinc/45/53/29/525455329.db2.gz DUDWMWBJTSRZFH-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cncs1 ZINC000162912527 525521281 /nfs/dbraw/zinc/52/12/81/525521281.db2.gz CBXWWHAMUIRMBK-CQSZACIVSA-N 2 0 301.459 3.590 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1Br ZINC000148890424 525553328 /nfs/dbraw/zinc/55/33/28/525553328.db2.gz XXAPGHLMPZZLMJ-SLEUVZQESA-N 2 0 311.267 3.617 20 0 DHADRP Cc1ccc2cc(C[NH+]3CCC(CC[NH+](C)C)CC3)ccc2n1 ZINC000189784745 526228730 /nfs/dbraw/zinc/22/87/30/526228730.db2.gz GHUWTNIPNBOIRV-UHFFFAOYSA-N 2 0 311.473 3.707 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccn1C ZINC000161660736 526251301 /nfs/dbraw/zinc/25/13/01/526251301.db2.gz SHWWTIHBTMWRRJ-KRWDZBQOSA-N 2 0 311.473 3.689 20 0 DHADRP c1cnc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000131159977 526545009 /nfs/dbraw/zinc/54/50/09/526545009.db2.gz YZKOOBZRMHHEIP-SFHVURJKSA-N 2 0 309.457 3.543 20 0 DHADRP Clc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000180353535 526941959 /nfs/dbraw/zinc/94/19/59/526941959.db2.gz ZJPVTGFTCGSRPN-IAGOWNOFSA-N 2 0 304.865 3.936 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001168294998 1032066040 /nfs/dbraw/zinc/06/60/40/1032066040.db2.gz NCDMZFPWPHWHNX-UHFFFAOYSA-N 2 0 318.358 3.807 20 0 DHADRP FC1(F)CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964864 1013232991 /nfs/dbraw/zinc/23/29/91/1013232991.db2.gz YYPMUUQJTHZHIY-ALOPSCKCSA-N 2 0 312.448 3.807 20 0 DHADRP CN(Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1Cl ZINC000211366223 1013234948 /nfs/dbraw/zinc/23/49/48/1013234948.db2.gz FXICZYBHQDBZJI-UHFFFAOYSA-N 2 0 300.833 3.618 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000519181917 1013287646 /nfs/dbraw/zinc/28/76/46/1013287646.db2.gz WEJLRYBBIBIJBP-RBSFLKMASA-N 2 0 300.368 3.582 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000519399592 1013316169 /nfs/dbraw/zinc/31/61/69/1013316169.db2.gz VNYQPHXGCXWIAD-XIRDDKMYSA-N 2 0 308.441 3.558 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc(C)c1Cl ZINC001204742246 1013341491 /nfs/dbraw/zinc/34/14/91/1013341491.db2.gz LDYNHAMLMDSZIZ-UHFFFAOYSA-N 2 0 306.881 3.922 20 0 DHADRP CN(Cc1ccc(C(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894417665 1013352211 /nfs/dbraw/zinc/35/22/11/1013352211.db2.gz UERUJVKGDGODBN-PBWFPOADSA-N 2 0 312.379 3.820 20 0 DHADRP Fc1ccccc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969036 1013367154 /nfs/dbraw/zinc/36/71/54/1013367154.db2.gz YTKHDKSXJQMIIA-YQQQUEKLSA-N 2 0 316.464 3.753 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124352142 1013426472 /nfs/dbraw/zinc/42/64/72/1013426472.db2.gz YFYMBTDVQYAAAA-IAGOWNOFSA-N 2 0 316.489 3.856 20 0 DHADRP c1cc2cnccc2c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167975888 1013447654 /nfs/dbraw/zinc/44/76/54/1013447654.db2.gz YYDLHQAPSNVZJN-IHWFROFDSA-N 2 0 321.468 3.730 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634678025 1013515086 /nfs/dbraw/zinc/51/50/86/1013515086.db2.gz GBXCZWMERWNXRW-SFHVURJKSA-N 2 0 304.478 3.574 20 0 DHADRP C([NH+]1C[C@@H]2CCC[C@H]2C1)C1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCC1 ZINC000647966557 1013520971 /nfs/dbraw/zinc/52/09/71/1013520971.db2.gz YSVAIARUJKVCFP-CADBVGFASA-N 2 0 302.506 3.621 20 0 DHADRP Cc1ccccc1CN1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634678868 1013523588 /nfs/dbraw/zinc/52/35/88/1013523588.db2.gz GASYSMJGCHCIFN-IBGZPJMESA-N 2 0 316.489 3.507 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000519701694 1013590792 /nfs/dbraw/zinc/59/07/92/1013590792.db2.gz JCSVNAKLWKRRDK-UHFFFAOYSA-N 2 0 319.449 3.510 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000655803922 1013728483 /nfs/dbraw/zinc/72/84/83/1013728483.db2.gz IHINFTIDJDSSQZ-XCRHUMRWSA-N 2 0 306.881 3.591 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655805663 1013727734 /nfs/dbraw/zinc/72/77/34/1013727734.db2.gz JZBLGXBJUIHAGW-MELADBBJSA-N 2 0 312.404 3.587 20 0 DHADRP Cc1cnc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000655809127 1013731602 /nfs/dbraw/zinc/73/16/02/1013731602.db2.gz RAJKFAUJEGOFDO-UHFFFAOYSA-N 2 0 315.505 3.628 20 0 DHADRP CC(C)(C)CCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001161676290 1013739537 /nfs/dbraw/zinc/73/95/37/1013739537.db2.gz YVNSDBFUUHVQGQ-UHFFFAOYSA-N 2 0 303.494 3.705 20 0 DHADRP Fc1ccc2c(c1)CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167994738 1013779131 /nfs/dbraw/zinc/77/91/31/1013779131.db2.gz MRRQOODTESVUFU-YOFSQIOKSA-N 2 0 314.448 3.589 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000340447333 1013805074 /nfs/dbraw/zinc/80/50/74/1013805074.db2.gz UCYZAWLBUHGSQJ-ZIAGYGMSSA-N 2 0 322.412 3.693 20 0 DHADRP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)C ZINC000417383191 1013812737 /nfs/dbraw/zinc/81/27/37/1013812737.db2.gz WXBFVACBPCEGPZ-IHPCNDPISA-N 2 0 318.505 3.548 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000151107980 1013814918 /nfs/dbraw/zinc/81/49/18/1013814918.db2.gz DJIFDQYQAVURNZ-UONOGXRCSA-N 2 0 310.869 3.731 20 0 DHADRP COc1ccc(C(C)C)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000655941522 1013838109 /nfs/dbraw/zinc/83/81/09/1013838109.db2.gz WFIQWBQDDNQTCF-IBGZPJMESA-N 2 0 316.489 3.783 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000655941572 1013838921 /nfs/dbraw/zinc/83/89/21/1013838921.db2.gz XIWACMMORHRJQR-MSOLQXFVSA-N 2 0 316.489 3.640 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@]1(C)CCCO1 ZINC000340476902 1013861021 /nfs/dbraw/zinc/86/10/21/1013861021.db2.gz VAEQPYMDFPWYIO-YLJYHZDGSA-N 2 0 316.489 3.720 20 0 DHADRP CCc1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441444879 1013883933 /nfs/dbraw/zinc/88/39/33/1013883933.db2.gz FDTVRVQCCCTBEH-FQEVSTJZSA-N 2 0 300.490 3.599 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000441458317 1013898661 /nfs/dbraw/zinc/89/86/61/1013898661.db2.gz NRMHHFXSUVNFQX-LJQANCHMSA-N 2 0 300.490 3.920 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000340538130 1013948740 /nfs/dbraw/zinc/94/87/40/1013948740.db2.gz TXMVMYWOMIAIFC-APWZRJJASA-N 2 0 316.489 3.727 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000683765141 1013965936 /nfs/dbraw/zinc/96/59/36/1013965936.db2.gz CDQIHJUAJBGMBT-UHFFFAOYSA-N 2 0 305.425 3.586 20 0 DHADRP c1cc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc2cn1 ZINC000683772491 1013980001 /nfs/dbraw/zinc/98/00/01/1013980001.db2.gz STHPOSWXXNQWOU-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2c(F)cc(Cl)cc2F)CC1 ZINC001168298293 1032078185 /nfs/dbraw/zinc/07/81/85/1032078185.db2.gz KWGINRFDZUCKSB-UHFFFAOYSA-N 2 0 302.796 3.581 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)CC[C@H]21 ZINC000255079388 1014001602 /nfs/dbraw/zinc/00/16/02/1014001602.db2.gz DSPKTRFXUSTXSN-QNMZXZFYSA-N 2 0 304.865 3.769 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001173109646 1033544805 /nfs/dbraw/zinc/54/48/05/1033544805.db2.gz IWIAQLVEEWDQFB-YMAMQOFZSA-N 2 0 306.416 3.709 20 0 DHADRP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198736 1014105291 /nfs/dbraw/zinc/10/52/91/1014105291.db2.gz GULFIMAHTIXJSY-GUTXKFCHSA-N 2 0 300.368 3.848 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000656200422 1014106113 /nfs/dbraw/zinc/10/61/13/1014106113.db2.gz PGOWCLMOPHHPOS-QWHCGFSZSA-N 2 0 323.278 3.688 20 0 DHADRP c1c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[nH]c2ccccc12 ZINC000683929414 1014119950 /nfs/dbraw/zinc/11/99/50/1014119950.db2.gz CTLPJAOESWSKCI-UHFFFAOYSA-N 2 0 320.440 3.569 20 0 DHADRP Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298153 1032083444 /nfs/dbraw/zinc/08/34/44/1032083444.db2.gz BCFHZYABEVFRQR-WWDZGPRUSA-N 2 0 304.478 3.533 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C(F)(F)F ZINC000580431468 1014131515 /nfs/dbraw/zinc/13/15/15/1014131515.db2.gz NWSWERWVGLMXFM-INIZCTEOSA-N 2 0 312.379 3.589 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189242571 1014170393 /nfs/dbraw/zinc/17/03/93/1014170393.db2.gz SGVQAYUTWDOLGV-VQTJNVASSA-N 2 0 311.473 3.973 20 0 DHADRP C[NH2+]Cc1cccc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC001211140232 1014191517 /nfs/dbraw/zinc/19/15/17/1014191517.db2.gz DSCKVJJCBHVZRC-GOSISDBHSA-N 2 0 311.429 3.535 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000580624533 1014255515 /nfs/dbraw/zinc/25/55/15/1014255515.db2.gz VBHQPHPNWLWECQ-HKUYNNGSSA-N 2 0 318.505 3.692 20 0 DHADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001167426418 1014260828 /nfs/dbraw/zinc/26/08/28/1014260828.db2.gz WTHJAIJBKOXXPV-AQNXPRMDSA-N 2 0 324.553 3.904 20 0 DHADRP [NH3+]CC[C@@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000262010503 1014266861 /nfs/dbraw/zinc/26/68/61/1014266861.db2.gz WHBMAOGUNGLBPM-HNNXBMFYSA-N 2 0 319.836 3.698 20 0 DHADRP CC(C)[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nc2ccccc2[nH]1 ZINC000154381202 1014371860 /nfs/dbraw/zinc/37/18/60/1014371860.db2.gz BNKJKUNODVFNSM-KBXCAEBGSA-N 2 0 314.477 3.580 20 0 DHADRP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000580839675 1014396992 /nfs/dbraw/zinc/39/69/92/1014396992.db2.gz VVOQUZBPSORJAX-ZDUSSCGKSA-N 2 0 315.486 3.599 20 0 DHADRP C[C@H]([NH3+])c1nccn1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005597 1014404325 /nfs/dbraw/zinc/40/43/25/1014404325.db2.gz KCIYLWSBDZISRG-JYJNAYRXSA-N 2 0 312.461 3.517 20 0 DHADRP CCSCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168008107 1014445308 /nfs/dbraw/zinc/44/53/08/1014445308.db2.gz CJIBGQPVIBWMDN-HZPDHXFCSA-N 2 0 306.519 3.771 20 0 DHADRP C[NH+](C)CCc1ccc(-c2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000665199282 1014479707 /nfs/dbraw/zinc/47/97/07/1014479707.db2.gz ASKIHSTVXOKWRS-UHFFFAOYSA-N 2 0 300.421 3.658 20 0 DHADRP c1csc(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000665238034 1014509717 /nfs/dbraw/zinc/50/97/17/1014509717.db2.gz ORNUGFBQSUWJQM-KZNAEPCWSA-N 2 0 312.482 3.893 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168010497 1014527147 /nfs/dbraw/zinc/52/71/47/1014527147.db2.gz JSPXVTBUSKXMCN-IZZQQSIFSA-N 2 0 312.457 3.853 20 0 DHADRP Cc1cc(C)cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665246088 1014533425 /nfs/dbraw/zinc/53/34/25/1014533425.db2.gz YSSXSCGNOZJAMA-FPOVZHCZSA-N 2 0 322.452 3.649 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427839495 1014534618 /nfs/dbraw/zinc/53/46/18/1014534618.db2.gz DYTYBTYMGGZPMO-GPMSIDNRSA-N 2 0 306.469 3.857 20 0 DHADRP Cc1ccc2oc(C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)cc2c1 ZINC000665261576 1014597508 /nfs/dbraw/zinc/59/75/08/1014597508.db2.gz GQPDPXVJSPQKSY-ZDUSSCGKSA-N 2 0 309.413 3.754 20 0 DHADRP C[C@H]1CC(Nc2cccc(C[NH3+])c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012087 1014606788 /nfs/dbraw/zinc/60/67/88/1014606788.db2.gz VXPMUZNISIWTQF-IRXDYDNUSA-N 2 0 323.484 3.999 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000581200851 1014611472 /nfs/dbraw/zinc/61/14/72/1014611472.db2.gz TURINAYMTOCSTB-APHBMKBZSA-N 2 0 306.425 3.535 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nsc2ccccc12 ZINC000665275015 1014638098 /nfs/dbraw/zinc/63/80/98/1014638098.db2.gz ASDYTWGHGLYGOW-GJZGRUSLSA-N 2 0 317.502 3.739 20 0 DHADRP Clc1ccc2c(c1)[C@H](NCC13CC(C1)C[NH2+]3)CCCS2 ZINC000665277896 1014653372 /nfs/dbraw/zinc/65/33/72/1014653372.db2.gz ORKYCHPUCQXVFM-OFWKBQFLSA-N 2 0 308.878 3.609 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000581304617 1014693407 /nfs/dbraw/zinc/69/34/07/1014693407.db2.gz RRGGUWJGEYITFS-HOCLYGCPSA-N 2 0 314.395 3.931 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C(C)(C)C ZINC000442777563 1014730265 /nfs/dbraw/zinc/73/02/65/1014730265.db2.gz GGFGKYJBWMEYQD-AUUYWEPGSA-N 2 0 313.489 3.591 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000442929611 1014772067 /nfs/dbraw/zinc/77/20/67/1014772067.db2.gz SEAGPBPCCWXEOK-ZDUSSCGKSA-N 2 0 319.449 3.510 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccc(F)c2)c1 ZINC000069716111 1014774265 /nfs/dbraw/zinc/77/42/65/1014774265.db2.gz OQIOVOZPIDTTPH-UHFFFAOYSA-N 2 0 300.421 3.957 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000665300497 1014782348 /nfs/dbraw/zinc/78/23/48/1014782348.db2.gz CWCDVUYLBDIEOU-TZMCWYRMSA-N 2 0 302.384 3.513 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521818288 1014807509 /nfs/dbraw/zinc/80/75/09/1014807509.db2.gz FLFANWLKMORVBX-RPPGEJNMSA-N 2 0 316.489 3.666 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccn(C)c2)CC1)CC(C)C ZINC000349412276 1014818147 /nfs/dbraw/zinc/81/81/47/1014818147.db2.gz YSXQMXQGCTUIDT-UHFFFAOYSA-N 2 0 305.510 3.605 20 0 DHADRP Cc1ccc2ccnc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000581426636 1014844278 /nfs/dbraw/zinc/84/42/78/1014844278.db2.gz ZLZXFZXULKHEMV-UHFFFAOYSA-N 2 0 309.457 3.855 20 0 DHADRP Cc1cnc(CNc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000341152138 1014939232 /nfs/dbraw/zinc/93/92/32/1014939232.db2.gz VNKWPMLSGHWHLA-HNNXBMFYSA-N 2 0 312.461 3.715 20 0 DHADRP Cc1ccc(-c2ncc(CNCC[C@@H](C)[NH+](C)C)s2)cc1 ZINC000895297767 1015029585 /nfs/dbraw/zinc/02/95/85/1015029585.db2.gz OKWBARKYEGXQEN-CQSZACIVSA-N 2 0 303.475 3.548 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024291 1015067044 /nfs/dbraw/zinc/06/70/44/1015067044.db2.gz DNJWLLSDCKEPJX-IZZQQSIFSA-N 2 0 318.505 3.569 20 0 DHADRP C[C@H]1CC([NH2+]CCCC(C)(C)O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024290 1015067928 /nfs/dbraw/zinc/06/79/28/1015067928.db2.gz DNJWLLSDCKEPJX-IRXDYDNUSA-N 2 0 318.505 3.569 20 0 DHADRP c1nc(C2CCC2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785439 1015156263 /nfs/dbraw/zinc/15/62/63/1015156263.db2.gz HFOWIRPLCNNEMY-MRXNPFEDSA-N 2 0 319.518 3.622 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc2cccnc12 ZINC000656784033 1015156988 /nfs/dbraw/zinc/15/69/88/1015156988.db2.gz XXCDJDVXXBICGQ-HXUWFJFHSA-N 2 0 323.484 3.755 20 0 DHADRP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785593 1015157417 /nfs/dbraw/zinc/15/74/17/1015157417.db2.gz MLCLBLLZPUPNQO-OAHLLOKOSA-N 2 0 321.534 3.652 20 0 DHADRP C[C@@H](C[NH2+]CC1([NH3+])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000656789554 1015163614 /nfs/dbraw/zinc/16/36/14/1015163614.db2.gz QBAOGJRDLIFDFH-LBPRGKRZSA-N 2 0 300.368 3.670 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@H](OC)C2)c1 ZINC000684370934 1015176130 /nfs/dbraw/zinc/17/61/30/1015176130.db2.gz HTMIQMHSEMPECL-OALUTQOASA-N 2 0 304.478 3.576 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000090402993 1015231312 /nfs/dbraw/zinc/23/13/12/1015231312.db2.gz CWSMVFDCFFTJET-ZNMIVQPWSA-N 2 0 309.523 3.860 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000178036447 1017151653 /nfs/dbraw/zinc/15/16/53/1017151653.db2.gz NGHQARCIHPZNTG-OAGGEKHMSA-N 2 0 310.507 3.678 20 0 DHADRP CC(C)Cc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000891561977 1015392811 /nfs/dbraw/zinc/39/28/11/1015392811.db2.gz OQNCEFWCHGLVKP-UHFFFAOYSA-N 2 0 303.494 3.585 20 0 DHADRP CC(C)C[C@H](C[NH2+]CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000474480622 1015390855 /nfs/dbraw/zinc/39/08/55/1015390855.db2.gz FHLGCWOAHSRRSF-HXUWFJFHSA-N 2 0 318.505 3.518 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000474478748 1015391046 /nfs/dbraw/zinc/39/10/46/1015391046.db2.gz PKEIKFMSOQYOBT-VJANTYMQSA-N 2 0 310.526 3.539 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCCC(C)C)cc2)C1 ZINC000097444936 1015420770 /nfs/dbraw/zinc/42/07/70/1015420770.db2.gz AKMQXVPUGVYVFL-GOSISDBHSA-N 2 0 304.478 3.543 20 0 DHADRP Fc1ccccc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157285294 1015493142 /nfs/dbraw/zinc/49/31/42/1015493142.db2.gz BUZDTROENPNCSG-UHFFFAOYSA-N 2 0 304.453 3.755 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474616468 1015494318 /nfs/dbraw/zinc/49/43/18/1015494318.db2.gz JFAFRFZKRFQIAY-ZDEQEGDKSA-N 2 0 300.899 3.823 20 0 DHADRP C[C@@H]1C[C@@H]([N@@H+]2CCCO[C@@H](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168040982 1015544552 /nfs/dbraw/zinc/54/45/52/1015544552.db2.gz PQJVQZBNHANEQB-DMUMMCEESA-N 2 0 316.489 3.539 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000896388592 1015567711 /nfs/dbraw/zinc/56/77/11/1015567711.db2.gz ZIMJKCUMUZQLRV-IYXRBSQSSA-N 2 0 305.293 3.567 20 0 DHADRP CC(C)[N@H+](C)CC1CCN(Cc2nc(C(C)(C)C)co2)CC1 ZINC000891745497 1015585271 /nfs/dbraw/zinc/58/52/71/1015585271.db2.gz JJLLDCKHIVVMBR-UHFFFAOYSA-N 2 0 307.482 3.524 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891775605 1015609176 /nfs/dbraw/zinc/60/91/76/1015609176.db2.gz RJSXOBGUFLMKFE-UHFFFAOYSA-N 2 0 314.395 3.927 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000474812691 1015614392 /nfs/dbraw/zinc/61/43/92/1015614392.db2.gz ZQMRRLUTSANVOE-IHPCNDPISA-N 2 0 318.505 3.692 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000474812692 1015614778 /nfs/dbraw/zinc/61/47/78/1015614778.db2.gz ZQMRRLUTSANVOE-YSIASYRMSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474823519 1015624142 /nfs/dbraw/zinc/62/41/42/1015624142.db2.gz UXXGHOSBOHNMSQ-PDWCTOEPSA-N 2 0 312.910 3.966 20 0 DHADRP Cc1ccncc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474880761 1015680296 /nfs/dbraw/zinc/68/02/96/1015680296.db2.gz UIIGQOQYEARZOI-ICSRJNTNSA-N 2 0 323.484 3.780 20 0 DHADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(C3CCC([NH+](C)C)CC3)c2c1 ZINC001168303714 1032125034 /nfs/dbraw/zinc/12/50/34/1032125034.db2.gz AIRWCLVPBBQZFX-FAEJEUNOSA-N 2 0 313.489 3.885 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2c(O)cccc12 ZINC000684564851 1015754077 /nfs/dbraw/zinc/75/40/77/1015754077.db2.gz DSTMKCLVSNVYME-AWEZNQCLSA-N 2 0 301.434 3.863 20 0 DHADRP CCSC[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001173304416 1033660353 /nfs/dbraw/zinc/66/03/53/1033660353.db2.gz BSDJFEQLSHNQSI-MRXNPFEDSA-N 2 0 322.518 3.709 20 0 DHADRP Cc1cccnc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000294716623 1032127136 /nfs/dbraw/zinc/12/71/36/1032127136.db2.gz CFOYULNACPHQJK-LPHOPBHVSA-N 2 0 315.505 3.565 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001168304046 1032130094 /nfs/dbraw/zinc/13/00/94/1032130094.db2.gz MEYOWLDEZCRNPV-ADKAHSJRSA-N 2 0 306.881 3.660 20 0 DHADRP Cc1ccc(OC(F)F)c(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277319314 1016195736 /nfs/dbraw/zinc/19/57/36/1016195736.db2.gz CBDHIHGPYQUHDV-OAHLLOKOSA-N 2 0 312.404 3.513 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657292665 1016211286 /nfs/dbraw/zinc/21/12/86/1016211286.db2.gz CDQMZPUBSVNVMC-AWEZNQCLSA-N 2 0 303.475 3.650 20 0 DHADRP c1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657297222 1016220386 /nfs/dbraw/zinc/22/03/86/1016220386.db2.gz NLWKYBXAWBAJJZ-BRWVUGGUSA-N 2 0 310.445 3.716 20 0 DHADRP CCC[NH+](CCC)CCN1CC[NH+](CCC2CCCCC2)CC1 ZINC001207261060 1016283336 /nfs/dbraw/zinc/28/33/36/1016283336.db2.gz KHADWMWXTSPZSR-UHFFFAOYSA-N 2 0 323.569 3.696 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926366248 1016338686 /nfs/dbraw/zinc/33/86/86/1016338686.db2.gz BKDCOGQBMNWOTN-GFCCVEGCSA-N 2 0 302.384 3.987 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c(C)c1 ZINC000657337095 1016366686 /nfs/dbraw/zinc/36/66/86/1016366686.db2.gz IRFUMFVJKVRIJX-QGZVFWFLSA-N 2 0 304.478 3.605 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c(C)c1 ZINC000657337094 1016367354 /nfs/dbraw/zinc/36/73/54/1016367354.db2.gz IRFUMFVJKVRIJX-KRWDZBQOSA-N 2 0 304.478 3.605 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000346500564 1016423222 /nfs/dbraw/zinc/42/32/22/1016423222.db2.gz ZPXPMKVIVJMFFB-MBOZVWFJSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000346650654 1016484042 /nfs/dbraw/zinc/48/40/42/1016484042.db2.gz PUWGSVUGHMYRSJ-TZMCWYRMSA-N 2 0 320.383 3.610 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000346651479 1016485793 /nfs/dbraw/zinc/48/57/93/1016485793.db2.gz OQDPYBARGOQQMW-UHFFFAOYSA-N 2 0 306.862 3.992 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000281380573 1016482271 /nfs/dbraw/zinc/48/22/71/1016482271.db2.gz XFEXTOCPBQFEMX-CEXWTWQISA-N 2 0 315.505 3.738 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346676835 1016507467 /nfs/dbraw/zinc/50/74/67/1016507467.db2.gz KSTJGBZZCOODKF-TZMCWYRMSA-N 2 0 304.434 3.723 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000346684518 1016515084 /nfs/dbraw/zinc/51/50/84/1016515084.db2.gz QAJGSUQPQKSUEM-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccs3)cc2)CC[N@@H+]1C ZINC000657375234 1016525107 /nfs/dbraw/zinc/52/51/07/1016525107.db2.gz FMVCDYCZJUFVCH-WMLDXEAASA-N 2 0 300.471 3.987 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657375669 1016532264 /nfs/dbraw/zinc/53/22/64/1016532264.db2.gz BDEKSHUZTULPLI-UHFFFAOYSA-N 2 0 303.475 3.508 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000171129980 1016536088 /nfs/dbraw/zinc/53/60/88/1016536088.db2.gz QQYPPKYYNKGZAQ-GFCCVEGCSA-N 2 0 303.475 3.672 20 0 DHADRP CC(C)[NH+](CCC[NH2+]Cc1cc2ccncc2s1)C(C)C ZINC000657384147 1016555956 /nfs/dbraw/zinc/55/59/56/1016555956.db2.gz SMNPAWVLIZMNAW-UHFFFAOYSA-N 2 0 305.491 3.895 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(Cl)oc4ccccc43)C[C@H]21 ZINC000346819606 1016564876 /nfs/dbraw/zinc/56/48/76/1016564876.db2.gz HTIVVSLGHDFMCA-NJZAAPMLSA-N 2 0 304.821 3.645 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CC[C@H]1[NH3+] ZINC000347053093 1016707481 /nfs/dbraw/zinc/70/74/81/1016707481.db2.gz RYQMODYYROTSQE-MLGOLLRUSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347094180 1016726628 /nfs/dbraw/zinc/72/66/28/1016726628.db2.gz QNCYIMJCGUBTFA-HIFRSBDPSA-N 2 0 302.805 3.949 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000347086055 1016735267 /nfs/dbraw/zinc/73/52/67/1016735267.db2.gz BLJFMHFAUJXETP-CYBMUJFWSA-N 2 0 302.393 3.645 20 0 DHADRP CCC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000125303557 1032150071 /nfs/dbraw/zinc/15/00/71/1032150071.db2.gz VFWAUBPWOTVCDJ-IBGZPJMESA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1CC(F)(F)CC[NH+]1C/C=C\C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000625980186 1016850067 /nfs/dbraw/zinc/85/00/67/1016850067.db2.gz HOGHGMOXSUKMJH-JHZNUDOXSA-N 2 0 322.390 3.782 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000475120362 1016974862 /nfs/dbraw/zinc/97/48/62/1016974862.db2.gz OXWZYUDFBPEOAF-UHFFFAOYSA-N 2 0 300.490 3.945 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000379968387 1016979071 /nfs/dbraw/zinc/97/90/71/1016979071.db2.gz MJKCDGPVVWIXEC-UXHICEINSA-N 2 0 324.468 3.668 20 0 DHADRP COc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1Cl ZINC000623347994 1016980784 /nfs/dbraw/zinc/98/07/84/1016980784.db2.gz NTEVAZDTKWLJMQ-UHFFFAOYSA-N 2 0 318.848 3.700 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623357500 1016986363 /nfs/dbraw/zinc/98/63/63/1016986363.db2.gz SECKBDCTPYJAJW-LSDHHAIUSA-N 2 0 320.477 3.536 20 0 DHADRP C[N@@H+]1CC[C@H](NCc2cccc(Cl)c2Cl)CC1(C)C ZINC000623384977 1017008781 /nfs/dbraw/zinc/00/87/81/1017008781.db2.gz VTFXBETVIAERGV-LBPRGKRZSA-N 2 0 301.261 3.956 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)CC1(C)C ZINC000623387682 1017015257 /nfs/dbraw/zinc/01/52/57/1017015257.db2.gz PUDZFLDSCWJIBN-KRWDZBQOSA-N 2 0 304.453 3.710 20 0 DHADRP Fc1cccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000192931687 1017029391 /nfs/dbraw/zinc/02/93/91/1017029391.db2.gz DJCNPDKCZOYWKF-MRXNPFEDSA-N 2 0 316.395 3.577 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440826 1017047150 /nfs/dbraw/zinc/04/71/50/1017047150.db2.gz MODUMLIHXMVZDG-DLBZAZTESA-N 2 0 304.478 3.615 20 0 DHADRP Cc1ccccc1CC1(C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168306298 1032153085 /nfs/dbraw/zinc/15/30/85/1032153085.db2.gz VOOBDPRVJXNMPL-UHFFFAOYSA-N 2 0 300.490 3.780 20 0 DHADRP CCC1CC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000342709272 1017067302 /nfs/dbraw/zinc/06/73/02/1017067302.db2.gz LUAZAQLTABXDJB-ZRDSACAASA-N 2 0 316.489 3.574 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001168306343 1032155701 /nfs/dbraw/zinc/15/57/01/1032155701.db2.gz XDHWIOBNOFTZRV-OFLPRAFFSA-N 2 0 307.869 3.649 20 0 DHADRP CC(C)C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccn1 ZINC000362032716 1032202778 /nfs/dbraw/zinc/20/27/78/1032202778.db2.gz PIAZTDKHPLQJRD-IBGZPJMESA-N 2 0 324.472 3.822 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001168311993 1032204741 /nfs/dbraw/zinc/20/47/41/1032204741.db2.gz GZFKZFBNXXSBBR-VMBOVVBDSA-N 2 0 307.869 3.649 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CC1 ZINC001168312313 1032206647 /nfs/dbraw/zinc/20/66/47/1032206647.db2.gz PLQYLUCJHVVVJM-RJYAGPCLSA-N 2 0 302.462 3.609 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001168323006 1032263830 /nfs/dbraw/zinc/26/38/30/1032263830.db2.gz MNQZXFRNTLFUSE-UHFFFAOYSA-N 2 0 304.453 3.878 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC1 ZINC001168324190 1032269186 /nfs/dbraw/zinc/26/91/86/1032269186.db2.gz JHOKTVXOWSIKPZ-JTTJXQCZSA-N 2 0 308.416 3.975 20 0 DHADRP C[NH+](C)C1CCC([N@H+](Cc2ccccc2)Cc2cccnc2)CC1 ZINC001168323000 1032269439 /nfs/dbraw/zinc/26/94/39/1032269439.db2.gz MEJQZZQLAJLVCM-UHFFFAOYSA-N 2 0 323.484 3.957 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC001168324635 1032271729 /nfs/dbraw/zinc/27/17/29/1032271729.db2.gz SDAWVKHTTZFPLU-UHFFFAOYSA-N 2 0 318.480 3.953 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC001168328239 1032298363 /nfs/dbraw/zinc/29/83/63/1032298363.db2.gz BHJLRISFDOUDIE-JMLCCBQJSA-N 2 0 308.416 3.975 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001168329991 1032315123 /nfs/dbraw/zinc/31/51/23/1032315123.db2.gz MFTDPPVPDVXFIN-CTWPCTMYSA-N 2 0 304.453 3.705 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(C)(c3ccccc3)CC2)CC1 ZINC001168331052 1032320308 /nfs/dbraw/zinc/32/03/08/1032320308.db2.gz XHNGABBTYCXKDG-UHFFFAOYSA-N 2 0 300.490 3.913 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120394955 1032367970 /nfs/dbraw/zinc/36/79/70/1032367970.db2.gz OQCZGTYTDRTZHF-CRAIPNDOSA-N 2 0 322.518 3.563 20 0 DHADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000684953422 1017085325 /nfs/dbraw/zinc/08/53/25/1017085325.db2.gz IBRRMQDSLCOQFP-FQEVSTJZSA-N 2 0 321.468 3.845 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000121719054 1032468299 /nfs/dbraw/zinc/46/82/99/1032468299.db2.gz BLRBRDLKCHSJQY-LBPRGKRZSA-N 2 0 314.395 3.877 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CCC2CC[NH+](CC)CC2)cc1 ZINC000121818670 1032480773 /nfs/dbraw/zinc/48/07/73/1032480773.db2.gz ZSVBYKVIHLRNGJ-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000475220708 1017091212 /nfs/dbraw/zinc/09/12/12/1017091212.db2.gz QMEDTUVUPWUORB-HJNYFJLDSA-N 2 0 320.480 3.902 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1(C)C ZINC000623537917 1017099077 /nfs/dbraw/zinc/09/90/77/1017099077.db2.gz NIZMHFANWFXXRV-MJBXVCDLSA-N 2 0 306.416 3.960 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171356531 1032514375 /nfs/dbraw/zinc/51/43/75/1032514375.db2.gz AXXIBVRIOLKRKG-BRWVUGGUSA-N 2 0 322.443 3.802 20 0 DHADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1N(C)C ZINC000537643555 1032565727 /nfs/dbraw/zinc/56/57/27/1032565727.db2.gz CJTAFDPELXYDEY-YJBOKZPZSA-N 2 0 305.510 3.770 20 0 DHADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1N(C)C ZINC000537643544 1032566387 /nfs/dbraw/zinc/56/63/87/1032566387.db2.gz CJTAFDPELXYDEY-CRAIPNDOSA-N 2 0 305.510 3.770 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171403585 1032591021 /nfs/dbraw/zinc/59/10/21/1032591021.db2.gz ZBUAMLIBOAWXOG-HNNXBMFYSA-N 2 0 304.453 3.663 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000424268470 1011956640 /nfs/dbraw/zinc/95/66/40/1011956640.db2.gz LHDRVWNOHLGSMV-FQEVSTJZSA-N 2 0 322.537 3.826 20 0 DHADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC001206755394 1011963952 /nfs/dbraw/zinc/96/39/52/1011963952.db2.gz GDJGLVQFTBBNIC-UHFFFAOYSA-N 2 0 320.889 3.894 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CC[NH+](CCC(C)C)CC3)C[C@H]2C1 ZINC000424324456 1011980112 /nfs/dbraw/zinc/98/01/12/1011980112.db2.gz WSTBMYDDUYOYPI-FGYAAKKASA-N 2 0 322.537 3.538 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(Cl)c1 ZINC000424328678 1011983739 /nfs/dbraw/zinc/98/37/39/1011983739.db2.gz FLZMGLMEEPMNLZ-CYBMUJFWSA-N 2 0 310.869 3.874 20 0 DHADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000475274035 1017102308 /nfs/dbraw/zinc/10/23/08/1017102308.db2.gz HIUGSQMPFKSAMV-HXUWFJFHSA-N 2 0 324.468 3.615 20 0 DHADRP Cc1cccnc1[C@H]([NH2+]C[C@@H](C[NH3+])c1ccc(F)cc1)C(C)C ZINC000424303379 1011988502 /nfs/dbraw/zinc/98/85/02/1011988502.db2.gz NTBFMICMTYYJQO-SJLPKXTDSA-N 2 0 315.436 3.558 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000643546505 1012091995 /nfs/dbraw/zinc/09/19/95/1012091995.db2.gz PNSNHPNAZFZZOW-GXTWGEPZSA-N 2 0 308.466 3.873 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000153911441 1012131837 /nfs/dbraw/zinc/13/18/37/1012131837.db2.gz OYWHFRHSRQGEAL-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cccc(C[NH+](C)C)c1 ZINC000924973796 1012190805 /nfs/dbraw/zinc/19/08/05/1012190805.db2.gz YBGOCJCICZNIFU-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP CC[NH+](CC)CCCN(C)Cc1ccc(Br)s1 ZINC000513964424 1012235878 /nfs/dbraw/zinc/23/58/78/1012235878.db2.gz IBEXXYZMDOQRDL-UHFFFAOYSA-N 2 0 319.312 3.674 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000683201535 1012364293 /nfs/dbraw/zinc/36/42/93/1012364293.db2.gz DYHUJBPGNZLZHH-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000515148124 1012564521 /nfs/dbraw/zinc/56/45/21/1012564521.db2.gz ZVPZYCVOKZOYEB-KHMAMNHCSA-N 2 0 306.416 3.673 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000579867498 1012765135 /nfs/dbraw/zinc/76/51/35/1012765135.db2.gz ORPMRWAPUIUBKD-UHFFFAOYSA-N 2 0 316.489 3.972 20 0 DHADRP CCC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000601279397 1012791811 /nfs/dbraw/zinc/79/18/11/1012791811.db2.gz FNOMQWFVMKXDLF-INIZCTEOSA-N 2 0 321.534 3.648 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000666962207 1032669266 /nfs/dbraw/zinc/66/92/66/1032669266.db2.gz LLZZBLOJONHTJA-DTWKUNHWSA-N 2 0 307.652 3.864 20 0 DHADRP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000517536411 1013008071 /nfs/dbraw/zinc/00/80/71/1013008071.db2.gz FCZACPCNECXBRV-IYBDPMFKSA-N 2 0 306.469 3.982 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)C[NH+](C)C)cc1F ZINC000425954681 1013009387 /nfs/dbraw/zinc/00/93/87/1013009387.db2.gz WOSYGIVPTCOKQH-UWWQBHOKSA-N 2 0 322.468 3.648 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1)CC(C)C ZINC000475311923 1017137145 /nfs/dbraw/zinc/13/71/45/1017137145.db2.gz AFTDRLVLTLRGET-PKOBYXMFSA-N 2 0 310.526 3.634 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000623655160 1017151164 /nfs/dbraw/zinc/15/11/64/1017151164.db2.gz POXVAKRBVSMISX-CYBMUJFWSA-N 2 0 300.368 3.527 20 0 DHADRP C[N@@H+]1CCCC[C@H](CNCc2ccc(C(F)(F)F)s2)C1 ZINC000623657744 1017156247 /nfs/dbraw/zinc/15/62/47/1017156247.db2.gz XUZRQECCRBRCIR-LLVKDONJSA-N 2 0 306.397 3.588 20 0 DHADRP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc2ccccc21 ZINC000623657293 1017156677 /nfs/dbraw/zinc/15/66/77/1017156677.db2.gz MVFJPRRXAAJUES-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000623679332 1017168184 /nfs/dbraw/zinc/16/81/84/1017168184.db2.gz RSLCJESOFTWGAO-VJANTYMQSA-N 2 0 308.510 3.577 20 0 DHADRP CC1(C)CCC(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657535601 1017225371 /nfs/dbraw/zinc/22/53/71/1017225371.db2.gz PUOKAMUKCICHAB-UHFFFAOYSA-N 2 0 322.537 3.683 20 0 DHADRP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCC(F)(F)CC1 ZINC000475559796 1017427986 /nfs/dbraw/zinc/42/79/86/1017427986.db2.gz QRVJAHHSFMUUBI-JEYLPNPQSA-N 2 0 300.437 3.807 20 0 DHADRP Fc1ccccc1C1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000475559462 1017428049 /nfs/dbraw/zinc/42/80/49/1017428049.db2.gz OTBFJOSXJNNJIV-UHFFFAOYSA-N 2 0 302.437 3.678 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000925151723 1017437283 /nfs/dbraw/zinc/43/72/83/1017437283.db2.gz OIBONPABRIWKNX-LJQANCHMSA-N 2 0 301.478 3.634 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000475575974 1017453248 /nfs/dbraw/zinc/45/32/48/1017453248.db2.gz UIPLNOINWOFKHY-LMRVLLHPSA-N 2 0 304.400 3.714 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758310 1017469746 /nfs/dbraw/zinc/46/97/46/1017469746.db2.gz SWDDRWIHCWDGEE-CQSZACIVSA-N 2 0 324.415 3.767 20 0 DHADRP FC1(F)CC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716694770 1032702364 /nfs/dbraw/zinc/70/23/64/1032702364.db2.gz TYRATLWBEGNURV-SZMVWBNQSA-N 2 0 320.427 3.674 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716683958 1032703881 /nfs/dbraw/zinc/70/38/81/1032703881.db2.gz VMGHTGRGSDUYCI-OTWHNJEPSA-N 2 0 318.530 3.771 20 0 DHADRP CN(C)c1ccncc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000623821074 1017519837 /nfs/dbraw/zinc/51/98/37/1017519837.db2.gz FDVNCPSWSSBXFD-UHFFFAOYSA-N 2 0 323.362 3.542 20 0 DHADRP Clc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000623834472 1017530772 /nfs/dbraw/zinc/53/07/72/1017530772.db2.gz ZKYJYZQRNPNIOH-CABCVRRESA-N 2 0 317.864 3.580 20 0 DHADRP Cn1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000125437763 1032705680 /nfs/dbraw/zinc/70/56/80/1032705680.db2.gz ZHRSTUXBSCCITL-UHFFFAOYSA-N 2 0 311.473 3.691 20 0 DHADRP Cc1csc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000623863866 1017541349 /nfs/dbraw/zinc/54/13/49/1017541349.db2.gz AQKYAKVKOYSLDE-LZWOXQAQSA-N 2 0 309.523 3.860 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000623867285 1017555836 /nfs/dbraw/zinc/55/58/36/1017555836.db2.gz WHTKVBLKVBRIMZ-VQIMIIECSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1C ZINC000657612604 1017570059 /nfs/dbraw/zinc/57/00/59/1017570059.db2.gz AVZLFBGIGGUGRG-UWVAXJGDSA-N 2 0 315.505 3.708 20 0 DHADRP CCc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612609 1017570833 /nfs/dbraw/zinc/57/08/33/1017570833.db2.gz AYSJFDCTWSWPKM-UHFFFAOYSA-N 2 0 323.484 3.646 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccsc3)cc2)C1 ZINC000444646194 1017604093 /nfs/dbraw/zinc/60/40/93/1017604093.db2.gz YYOSIPDSENWFNU-MRXNPFEDSA-N 2 0 300.471 3.799 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171453062 1032712211 /nfs/dbraw/zinc/71/22/11/1032712211.db2.gz LKWJSWHGHJWFLH-QGZVFWFLSA-N 2 0 322.443 3.806 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000663503026 1017643403 /nfs/dbraw/zinc/64/34/03/1017643403.db2.gz LXWXPXWULFTELF-SWLSCSKDSA-N 2 0 302.384 3.599 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120733 1017692563 /nfs/dbraw/zinc/69/25/63/1017692563.db2.gz FTQJGLOAAIROID-UKRRQHHQSA-N 2 0 309.523 3.957 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCS2 ZINC000624123360 1017696719 /nfs/dbraw/zinc/69/67/19/1017696719.db2.gz KPYFYTOWDHVUCA-RHSMWYFYSA-N 2 0 320.502 3.554 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2OCC3)CC1 ZINC000926914975 1032723871 /nfs/dbraw/zinc/72/38/71/1032723871.db2.gz CPODKVPSNYJZKL-MTFMMBMASA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000445405530 1017848725 /nfs/dbraw/zinc/84/87/25/1017848725.db2.gz UBUFPXSSNFYCKR-WMZOPIPTSA-N 2 0 312.501 3.900 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000318634453 1018016518 /nfs/dbraw/zinc/01/65/18/1018016518.db2.gz FQFLLROQXBCWGD-RBUKOAKNSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)CC(C)(C)CC[NH3+] ZINC001171467654 1032741780 /nfs/dbraw/zinc/74/17/80/1032741780.db2.gz ZNOCFXCYONLJIC-CZUORRHYSA-N 2 0 324.459 3.813 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)CC2 ZINC000184512421 1018083685 /nfs/dbraw/zinc/08/36/85/1018083685.db2.gz HURIXFLLOJXTHX-BEFAXECRSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185715598 1018126333 /nfs/dbraw/zinc/12/63/33/1018126333.db2.gz IKXIDJBLSARZIB-HKUYNNGSSA-N 2 0 300.490 3.780 20 0 DHADRP Cc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185734180 1018128817 /nfs/dbraw/zinc/12/88/17/1018128817.db2.gz VGBMMFBUQIXVEZ-ZWKOTPCHSA-N 2 0 316.489 3.616 20 0 DHADRP COc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000380189341 1018133909 /nfs/dbraw/zinc/13/39/09/1018133909.db2.gz PRBCISHLEJVLFJ-YLJYHZDGSA-N 2 0 324.468 3.695 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171474338 1032744701 /nfs/dbraw/zinc/74/47/01/1032744701.db2.gz VUOCPYJWLVLHPB-YOEHRIQHSA-N 2 0 322.443 3.663 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000194840551 1018212381 /nfs/dbraw/zinc/21/23/81/1018212381.db2.gz MHENNBMDTIHVTR-HXUWFJFHSA-N 2 0 324.468 3.924 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446741913 1018231897 /nfs/dbraw/zinc/23/18/97/1018231897.db2.gz CRMYFERMXXKPRY-PMACEKPBSA-N 2 0 318.505 3.549 20 0 DHADRP FC(F)Sc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000841073884 1018253612 /nfs/dbraw/zinc/25/36/12/1018253612.db2.gz ZSFNVGKKLXGXNC-CYBMUJFWSA-N 2 0 300.418 3.623 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000566480970 1018264032 /nfs/dbraw/zinc/26/40/32/1018264032.db2.gz CWZQYSDZQGKIQK-GJZGRUSLSA-N 2 0 312.379 3.944 20 0 DHADRP c1sc2ccccc2c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446883211 1018278636 /nfs/dbraw/zinc/27/86/36/1018278636.db2.gz FSBCLNFDVHYEIG-UHFFFAOYSA-N 2 0 300.471 3.865 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446883293 1018279405 /nfs/dbraw/zinc/27/94/05/1018279405.db2.gz JVLBOUGTQMPHAL-UHFFFAOYSA-N 2 0 324.871 3.876 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)ccc1SC ZINC000125422842 1018281216 /nfs/dbraw/zinc/28/12/16/1018281216.db2.gz RIHZTDHEIDMZHU-AWEZNQCLSA-N 2 0 322.518 3.800 20 0 DHADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc12 ZINC000446887543 1018289028 /nfs/dbraw/zinc/28/90/28/1018289028.db2.gz VMPHKKNVWPTHPB-UHFFFAOYSA-N 2 0 324.468 3.812 20 0 DHADRP CCCCOc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446886015 1018289532 /nfs/dbraw/zinc/28/95/32/1018289532.db2.gz ZNLUQDLQWBCUTG-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@@H](CCc1ccccc1)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446915933 1018291327 /nfs/dbraw/zinc/29/13/27/1018291327.db2.gz YUPCPRODVQBRQR-KRWDZBQOSA-N 2 0 300.490 3.719 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447135344 1018338212 /nfs/dbraw/zinc/33/82/12/1018338212.db2.gz BIWRLVPAOPYJIE-UHFFFAOYSA-N 2 0 315.288 3.810 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000764775405 1018373830 /nfs/dbraw/zinc/37/38/30/1018373830.db2.gz VPAGNYDGVKXHKO-NUJGCVRESA-N 2 0 304.478 3.843 20 0 DHADRP CCCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000319631479 1018391992 /nfs/dbraw/zinc/39/19/92/1018391992.db2.gz AZIKVABCOBLGGA-LJQANCHMSA-N 2 0 317.521 3.534 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000261630296 1018393881 /nfs/dbraw/zinc/39/38/81/1018393881.db2.gz BFPTVOJIDUYTEK-RBSFLKMASA-N 2 0 312.910 3.844 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]CC2(F)CC2)C1 ZINC000525981379 1018424585 /nfs/dbraw/zinc/42/45/85/1018424585.db2.gz RFLXILAVTNCCST-IYBDPMFKSA-N 2 0 304.453 3.756 20 0 DHADRP COc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)ccc1C ZINC000447821864 1018479527 /nfs/dbraw/zinc/47/95/27/1018479527.db2.gz NYACFQVPTRYWGF-UHFFFAOYSA-N 2 0 318.505 3.851 20 0 DHADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccc1C ZINC000447811357 1018482587 /nfs/dbraw/zinc/48/25/87/1018482587.db2.gz FCECCHSNIWNPLW-INIZCTEOSA-N 2 0 304.478 3.605 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000448058476 1018483566 /nfs/dbraw/zinc/48/35/66/1018483566.db2.gz OHLVDVTVYFBRLF-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843340670 1018493498 /nfs/dbraw/zinc/49/34/98/1018493498.db2.gz DJXAFYRKYODVMN-UHFFFAOYSA-N 3 0 311.558 3.774 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nccc2ccccc21 ZINC000635013267 1018516077 /nfs/dbraw/zinc/51/60/77/1018516077.db2.gz ZRFDVIQZODCLRN-HNNXBMFYSA-N 2 0 317.436 3.731 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@H]1CC[NH3+] ZINC000650710991 1018532008 /nfs/dbraw/zinc/53/20/08/1018532008.db2.gz FGWWPKBRZOXEQT-UZLBHIALSA-N 2 0 309.457 3.698 20 0 DHADRP C[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)[C@@H]1CC[NH3+] ZINC000650711278 1018537699 /nfs/dbraw/zinc/53/76/99/1018537699.db2.gz NVCLMNCDSSAFTG-WMLDXEAASA-N 2 0 315.486 3.759 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650718094 1018566208 /nfs/dbraw/zinc/56/62/08/1018566208.db2.gz XUCPWWWNEDSKDG-OAHLLOKOSA-N 2 0 300.421 3.704 20 0 DHADRP Cc1ccoc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772459 1018569998 /nfs/dbraw/zinc/56/99/98/1018569998.db2.gz NGSWCPAWVAKOPP-LJQANCHMSA-N 2 0 324.468 3.980 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C2 ZINC001171553449 1032774381 /nfs/dbraw/zinc/77/43/81/1032774381.db2.gz QSACIDGIMNMLKJ-PKOBYXMFSA-N 2 0 300.490 3.706 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000278355580 1018606042 /nfs/dbraw/zinc/60/60/42/1018606042.db2.gz AJJKMOMDUNXIIZ-IBGZPJMESA-N 2 0 318.530 3.584 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650740351 1018626128 /nfs/dbraw/zinc/62/61/28/1018626128.db2.gz LCKFOXQRTDSEAB-KGLIPLIRSA-N 2 0 302.393 3.833 20 0 DHADRP Clc1ccccc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000650740165 1018626438 /nfs/dbraw/zinc/62/64/38/1018626438.db2.gz HYUMTBRDRHXGSP-RBSFLKMASA-N 2 0 304.865 3.697 20 0 DHADRP FC(F)(F)[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000675928937 1018635935 /nfs/dbraw/zinc/63/59/35/1018635935.db2.gz RULLVHWFMVCPQW-HOCLYGCPSA-N 2 0 318.427 3.819 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000675930575 1018636015 /nfs/dbraw/zinc/63/60/15/1018636015.db2.gz WFQHALTVZNXSMB-KCQAQPDRSA-N 2 0 306.416 3.675 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)C1 ZINC000151110057 1018637061 /nfs/dbraw/zinc/63/70/61/1018637061.db2.gz ZLVYRFGUENTYGW-KBPBESRZSA-N 2 0 310.482 3.930 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000926523624 1018654713 /nfs/dbraw/zinc/65/47/13/1018654713.db2.gz DYZKPPRGFKZLGQ-MJGOQNOKSA-N 2 0 310.526 3.538 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650752554 1018666278 /nfs/dbraw/zinc/66/62/78/1018666278.db2.gz TYSZWZDKZIQYPG-CQSZACIVSA-N 2 0 316.420 3.922 20 0 DHADRP Cc1cccc(C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CC2)c1 ZINC000650752935 1018668064 /nfs/dbraw/zinc/66/80/64/1018668064.db2.gz CXKUVUOIZPWPBR-FQEVSTJZSA-N 2 0 312.432 3.704 20 0 DHADRP Cc1nccn1CC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429129142 1018677838 /nfs/dbraw/zinc/67/78/38/1018677838.db2.gz QVMSQDJQLZFLME-INIZCTEOSA-N 2 0 321.877 3.712 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[NH2+]C)CCC2 ZINC000650758410 1018692088 /nfs/dbraw/zinc/69/20/88/1018692088.db2.gz OZFZQUZWXNUMJW-OAHLLOKOSA-N 2 0 315.486 3.592 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2ccccc2n1 ZINC000278442619 1018697924 /nfs/dbraw/zinc/69/79/24/1018697924.db2.gz KPGJEWYHDKEKPB-HNNXBMFYSA-N 2 0 309.457 3.760 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2ccccc2n1 ZINC000278442627 1018698908 /nfs/dbraw/zinc/69/89/08/1018698908.db2.gz KPGJEWYHDKEKPB-OAHLLOKOSA-N 2 0 309.457 3.760 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650762842 1018709513 /nfs/dbraw/zinc/70/95/13/1018709513.db2.gz LODFLQIQQJKBMW-ZWKOTPCHSA-N 2 0 306.881 3.955 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000650764285 1018712826 /nfs/dbraw/zinc/71/28/26/1018712826.db2.gz VELVHLRRUNXHFC-MRXNPFEDSA-N 2 0 310.869 3.779 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000650764458 1018713274 /nfs/dbraw/zinc/71/32/74/1018713274.db2.gz ZECROPSSSZOWRM-MRXNPFEDSA-N 2 0 312.404 3.718 20 0 DHADRP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000650764270 1018714918 /nfs/dbraw/zinc/71/49/18/1018714918.db2.gz UXUCAIHAPYKAOT-XJKCOSOUSA-N 2 0 324.390 3.672 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000315457385 1032782898 /nfs/dbraw/zinc/78/28/98/1032782898.db2.gz XBPOJOPKEJGVML-SJORKVTESA-N 2 0 304.478 3.856 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c(C)s1 ZINC000676489323 1018750607 /nfs/dbraw/zinc/75/06/07/1018750607.db2.gz JRORIWKBSJNZRX-CQSZACIVSA-N 2 0 309.523 3.923 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278532067 1018788363 /nfs/dbraw/zinc/78/83/63/1018788363.db2.gz VKZUXSRVQSUEFH-UHFFFAOYSA-N 2 0 312.379 3.669 20 0 DHADRP CSCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000385789414 1018789468 /nfs/dbraw/zinc/78/94/68/1018789468.db2.gz DQMDOFPGQVQRKD-NHHFINERSA-N 2 0 310.551 3.809 20 0 DHADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000657812212 1018797765 /nfs/dbraw/zinc/79/77/65/1018797765.db2.gz OIRFBIDNRVILHC-UHFFFAOYSA-N 2 0 322.880 3.560 20 0 DHADRP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571455 1032786961 /nfs/dbraw/zinc/78/69/61/1032786961.db2.gz YIZMTTKFJMSNHZ-LJQANCHMSA-N 2 0 300.490 3.659 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000584001939 1018823764 /nfs/dbraw/zinc/82/37/64/1018823764.db2.gz FQDCJEVKAWPEPQ-WBVHZDCISA-N 2 0 304.478 3.565 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000647318567 1018835793 /nfs/dbraw/zinc/83/57/93/1018835793.db2.gz SXOBSEDKSQAWPW-UONOGXRCSA-N 2 0 314.420 3.569 20 0 DHADRP CC[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1[NH3+] ZINC000316889691 1018871987 /nfs/dbraw/zinc/87/19/87/1018871987.db2.gz BBTGYSRLGFHYLL-BLLLJJGKSA-N 2 0 319.836 3.554 20 0 DHADRP Cc1cccnc1C1(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171629724 1032793661 /nfs/dbraw/zinc/79/36/61/1032793661.db2.gz FBCSJVUJTCCOCF-UHFFFAOYSA-N 2 0 315.505 3.663 20 0 DHADRP c1cc2c(c(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)c1)OCC2 ZINC000921823338 1018911615 /nfs/dbraw/zinc/91/16/15/1018911615.db2.gz VJDUNGVVXCBKPG-UHFFFAOYSA-N 2 0 314.473 3.508 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657826348 1018928847 /nfs/dbraw/zinc/92/88/47/1018928847.db2.gz IINLFWPPZYRQGI-SFHVURJKSA-N 2 0 306.519 3.904 20 0 DHADRP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C(C)(C)O1 ZINC000922949415 1018934623 /nfs/dbraw/zinc/93/46/23/1018934623.db2.gz XPRIRRSDMBAUGD-INIZCTEOSA-N 2 0 322.537 3.967 20 0 DHADRP [NH3+]CC[C@@H]1CN(c2cc(N3CCCCC3)cc[nH+]2)c2ccccc21 ZINC001168544573 1018936466 /nfs/dbraw/zinc/93/64/66/1018936466.db2.gz KMRDEDLURTYZHQ-MRXNPFEDSA-N 2 0 322.456 3.656 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)CC2CCOCC2)CC1(C)C ZINC001171630031 1032796218 /nfs/dbraw/zinc/79/62/18/1032796218.db2.gz FQYAWKQCPYIXTR-UHFFFAOYSA-N 2 0 310.526 3.823 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000921537927 1018953944 /nfs/dbraw/zinc/95/39/44/1018953944.db2.gz ZUXBFSMLJRJFFO-HNNXBMFYSA-N 2 0 309.885 3.788 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000921543728 1018973081 /nfs/dbraw/zinc/97/30/81/1018973081.db2.gz RAOBCNOFVXEXQL-UJMXGEILSA-N 2 0 322.537 3.539 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc3c(c2)CCC3)CC1(C)C ZINC001171613458 1032800419 /nfs/dbraw/zinc/80/04/19/1032800419.db2.gz KMTPBGHKLYPWMZ-UHFFFAOYSA-N 2 0 300.490 3.916 20 0 DHADRP CCC(CC)[C@@H](C[NH2+]C1CC(CF)(CF)C1)[NH+]1CCCC1 ZINC000657833712 1019001364 /nfs/dbraw/zinc/00/13/64/1019001364.db2.gz OHTAMPKNSAZQMT-MRXNPFEDSA-N 2 0 302.453 3.564 20 0 DHADRP CCOC1CCC([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000657839429 1019092984 /nfs/dbraw/zinc/09/29/84/1019092984.db2.gz VJBWKABYZRQVQE-YYZRRKBYSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1sccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708514928 1019097510 /nfs/dbraw/zinc/09/75/10/1019097510.db2.gz WBNJJURGLVUQOR-HNAYVOBHSA-N 2 0 314.498 3.914 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995308 1032807646 /nfs/dbraw/zinc/80/76/46/1032807646.db2.gz JXSVJMBSFHPUIA-SQNIBIBYSA-N 2 0 302.437 3.726 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)CC3 ZINC000666995444 1032808903 /nfs/dbraw/zinc/80/89/03/1032808903.db2.gz NYHZRQSSAKQFGV-HZPDHXFCSA-N 2 0 323.484 3.598 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)Cc2ccncc2)CC1(C)C ZINC001171627116 1032809597 /nfs/dbraw/zinc/80/95/97/1032809597.db2.gz KRBUPBSYRRZFKT-UHFFFAOYSA-N 2 0 303.494 3.644 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635006646 1019131299 /nfs/dbraw/zinc/13/12/99/1019131299.db2.gz MHFCPVHJNSZMRT-UKRRQHHQSA-N 2 0 302.384 3.657 20 0 DHADRP Cc1nc2c(s1)[C@H]([N@H+](C)CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000923325172 1019131847 /nfs/dbraw/zinc/13/18/47/1019131847.db2.gz RRPRQTYZVVZCDD-UCMJJCQDSA-N 2 0 319.518 3.681 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C[C@](C)(C[NH3+])C1 ZINC001168696014 1019134551 /nfs/dbraw/zinc/13/45/51/1019134551.db2.gz DSHRUIOJUZGZTO-VCBZYWHSSA-N 2 0 320.908 3.941 20 0 DHADRP Cc1nc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365065 1019152908 /nfs/dbraw/zinc/15/29/08/1019152908.db2.gz RVWRKLCDBZLHNK-CABCVRRESA-N 2 0 321.534 3.713 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC[N@@H+]1C ZINC000624291262 1019163465 /nfs/dbraw/zinc/16/34/65/1019163465.db2.gz OPXQAEVHEYQAPM-YPMHNXCESA-N 2 0 323.843 3.575 20 0 DHADRP [NH3+]C1CC([NH2+]C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171648154 1032811745 /nfs/dbraw/zinc/81/17/45/1032811745.db2.gz OQIPTZIRBYUIBM-UHFFFAOYSA-N 2 0 323.278 3.555 20 0 DHADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000921981807 1019255634 /nfs/dbraw/zinc/25/56/34/1019255634.db2.gz XKSHJTIVEMXXSG-NBOOPKSLSA-N 2 0 310.551 3.903 20 0 DHADRP CCc1ncc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000084018091 1019259245 /nfs/dbraw/zinc/25/92/45/1019259245.db2.gz XURFVSKUEKZCAP-UHFFFAOYSA-N 2 0 317.502 3.836 20 0 DHADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923526009 1019265149 /nfs/dbraw/zinc/26/51/49/1019265149.db2.gz NELKJHCXVGDMGC-DBPPKFAGSA-N 2 0 312.448 3.805 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000315562523 1019317104 /nfs/dbraw/zinc/31/71/04/1019317104.db2.gz JKRPEYAVIQNDIL-GOSISDBHSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487272256 1019359323 /nfs/dbraw/zinc/35/93/23/1019359323.db2.gz LRDZEPLTLJXOBZ-UHFFFAOYSA-N 2 0 321.534 3.868 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH+]2CCC([NH3+])(CC3CC3)CC2)cc1 ZINC001171666357 1032823031 /nfs/dbraw/zinc/82/30/31/1032823031.db2.gz NIGRUJANAKLMKQ-KRWDZBQOSA-N 2 0 300.490 3.910 20 0 DHADRP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090218294 1019383652 /nfs/dbraw/zinc/38/36/52/1019383652.db2.gz NIIOQUMNZYDOSD-YLJYHZDGSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1(C)C ZINC001171637408 1032832926 /nfs/dbraw/zinc/83/29/26/1032832926.db2.gz MOADZYUPRJNSRW-INIZCTEOSA-N 2 0 301.478 3.522 20 0 DHADRP CCCCCC[NH+]1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171637880 1032834941 /nfs/dbraw/zinc/83/49/41/1032834941.db2.gz QRXHQUCRQMYILK-UHFFFAOYSA-N 2 0 323.569 3.836 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCOC[C@H]2C2CCCCC2)CC1(C)C ZINC001171640350 1032835442 /nfs/dbraw/zinc/83/54/42/1032835442.db2.gz DLXAUSRDLCJSDA-SFHVURJKSA-N 2 0 322.537 3.919 20 0 DHADRP COc1cccc2c1C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171642241 1032838711 /nfs/dbraw/zinc/83/87/11/1032838711.db2.gz HNBUBBFSBPJZGN-UHFFFAOYSA-N 2 0 302.462 3.662 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000495084022 1019574227 /nfs/dbraw/zinc/57/42/27/1019574227.db2.gz YJCDHQRREJNNCF-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP Cc1ncsc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769356 1019580432 /nfs/dbraw/zinc/58/04/32/1019580432.db2.gz SEZRGERANNUHKI-UHFFFAOYSA-N 2 0 307.507 3.540 20 0 DHADRP C[C@H](C[NH2+][C@H](C)c1cccc(OC(F)F)c1)C[NH+]1CCCC1 ZINC000171141785 1019684823 /nfs/dbraw/zinc/68/48/23/1019684823.db2.gz VYPCRMUYEOBHLG-ZIAGYGMSSA-N 2 0 312.404 3.671 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]CCC[NH+](C)C)c2ccccc2)c1 ZINC000151919868 1019731942 /nfs/dbraw/zinc/73/19/42/1019731942.db2.gz FBUKDVSLLXGZBY-HXUWFJFHSA-N 2 0 312.457 3.520 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282337644 1019747741 /nfs/dbraw/zinc/74/77/41/1019747741.db2.gz VBPUEAAVESZUNV-LJQANCHMSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926587887 1019792311 /nfs/dbraw/zinc/79/23/11/1019792311.db2.gz LZYFPZKVNAURPO-OAHLLOKOSA-N 2 0 304.478 3.604 20 0 DHADRP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166756142 1019816686 /nfs/dbraw/zinc/81/66/86/1019816686.db2.gz CTTKCIRLACJIBW-LMMKCTJWSA-N 2 0 316.489 3.999 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166796574 1019824282 /nfs/dbraw/zinc/82/42/82/1019824282.db2.gz YTQPXEXDKBZMRA-RTBURBONSA-N 2 0 300.490 3.743 20 0 DHADRP CC[N@H+](Cc1[nH]nc2ccccc21)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456412 1019834941 /nfs/dbraw/zinc/83/49/41/1019834941.db2.gz GHBQBLAZJCWPGD-UHFFFAOYSA-N 2 0 322.456 3.647 20 0 DHADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000685463183 1019841664 /nfs/dbraw/zinc/84/16/64/1019841664.db2.gz YMFZDJDEOQXJSR-LJQANCHMSA-N 2 0 316.489 3.639 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cccc2cnccc21 ZINC000685462784 1019843594 /nfs/dbraw/zinc/84/35/94/1019843594.db2.gz AWZUHDLQMCBZOF-UHFFFAOYSA-N 2 0 322.456 3.906 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000271809671 1019853028 /nfs/dbraw/zinc/85/30/28/1019853028.db2.gz AKCHCEJDUJNLAR-HNNXBMFYSA-N 2 0 308.878 3.728 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000168396431 1019890602 /nfs/dbraw/zinc/89/06/02/1019890602.db2.gz VHLGIMGDKMVNBN-SJORKVTESA-N 2 0 315.505 3.668 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)oc1C ZINC000282343287 1019915628 /nfs/dbraw/zinc/91/56/28/1019915628.db2.gz VJALHLRPDGORIJ-HNNXBMFYSA-N 2 0 316.445 3.688 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)[C@H](C)C1 ZINC001168719384 1019958776 /nfs/dbraw/zinc/95/87/76/1019958776.db2.gz WXNVYKYQFYVNEW-QIIPPGSGSA-N 2 0 306.881 3.516 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccnc1 ZINC000066970564 1019964377 /nfs/dbraw/zinc/96/43/77/1019964377.db2.gz CAFPIVBCXVUQRO-QGZVFWFLSA-N 2 0 309.457 3.918 20 0 DHADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000685629504 1019988385 /nfs/dbraw/zinc/98/83/85/1019988385.db2.gz ULOMUNCJKAEALY-JQVXPOPVSA-N 2 0 301.821 3.614 20 0 DHADRP Cc1ccc([C@@H](C)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000628231959 1020008929 /nfs/dbraw/zinc/00/89/29/1020008929.db2.gz HOSQDNHMBYLLCT-SFHVURJKSA-N 2 0 323.484 4.000 20 0 DHADRP COCCC1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC000657812800 1020036339 /nfs/dbraw/zinc/03/63/39/1020036339.db2.gz FCRDFPIWLVEAQG-UHFFFAOYSA-N 2 0 322.537 3.685 20 0 DHADRP C[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000657813682 1020036456 /nfs/dbraw/zinc/03/64/56/1020036456.db2.gz XMOJIHWFKANQSB-OAHLLOKOSA-N 2 0 304.453 3.641 20 0 DHADRP CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000658004597 1020087568 /nfs/dbraw/zinc/08/75/68/1020087568.db2.gz VYOBQWDDNKHNBC-CUYAVPTFSA-N 2 0 308.510 3.721 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658090255 1020136176 /nfs/dbraw/zinc/13/61/76/1020136176.db2.gz HGFJTKNRCMANDP-YVWKXTFCSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)C1 ZINC000658095593 1020141099 /nfs/dbraw/zinc/14/10/99/1020141099.db2.gz JFZWNEPJHDHYMH-SQNIBIBYSA-N 2 0 315.505 3.879 20 0 DHADRP Fc1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)ccc1-n1ccnc1 ZINC000922586961 1020147494 /nfs/dbraw/zinc/14/74/94/1020147494.db2.gz URORMFBEMLBIRL-LJQANCHMSA-N 2 0 322.387 3.647 20 0 DHADRP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658134820 1020168142 /nfs/dbraw/zinc/16/81/42/1020168142.db2.gz CASPJNMTLSPKHB-LPHOPBHVSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165217 1020197924 /nfs/dbraw/zinc/19/79/24/1020197924.db2.gz QGXWFEHCHLQZLL-PXNSSMCTSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccsc1 ZINC000658167714 1020200872 /nfs/dbraw/zinc/20/08/72/1020200872.db2.gz TYKKRRDDEXCZHJ-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP COc1ccc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922682744 1020207112 /nfs/dbraw/zinc/20/71/12/1020207112.db2.gz AYLDNJODXGQANG-QZTJIDSGSA-N 2 0 324.468 3.607 20 0 DHADRP COc1ccc2ccccc2c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922682746 1020207297 /nfs/dbraw/zinc/20/72/97/1020207297.db2.gz AYLDNJODXGQANG-ZWKOTPCHSA-N 2 0 324.468 3.607 20 0 DHADRP Fc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001171784823 1032883589 /nfs/dbraw/zinc/88/35/89/1032883589.db2.gz HRASRSHRKWUSRX-SFHVURJKSA-N 2 0 316.464 3.537 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)O1 ZINC000658217589 1020246100 /nfs/dbraw/zinc/24/61/00/1020246100.db2.gz FRSNMVGGXFZBAY-ISARSNTHSA-N 2 0 308.510 3.577 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658250069 1020255737 /nfs/dbraw/zinc/25/57/37/1020255737.db2.gz AFRRUJKMPAUFJC-IRXDYDNUSA-N 2 0 308.510 3.577 20 0 DHADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000658330449 1020293292 /nfs/dbraw/zinc/29/32/92/1020293292.db2.gz RXSBXGLNEUNCJP-IBGZPJMESA-N 2 0 308.510 3.578 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CCCC1 ZINC000658313610 1020295216 /nfs/dbraw/zinc/29/52/16/1020295216.db2.gz DWHVGEZATDDGDR-NSISKUIASA-N 2 0 322.537 3.824 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000922846337 1020305313 /nfs/dbraw/zinc/30/53/13/1020305313.db2.gz CGPWGLWSBJYIKX-UHFFFAOYSA-N 2 0 312.379 3.601 20 0 DHADRP CC(C)(C)c1ncc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922848519 1020307411 /nfs/dbraw/zinc/30/74/11/1020307411.db2.gz VMJNMBPNCPLOKN-UHFFFAOYSA-N 2 0 321.534 3.937 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353586 1020320604 /nfs/dbraw/zinc/32/06/04/1020320604.db2.gz POFPJDQONPNSBJ-KRWDZBQOSA-N 2 0 315.505 3.504 20 0 DHADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356284 1020320836 /nfs/dbraw/zinc/32/08/36/1020320836.db2.gz NFNYEEOPZUFRCY-KRWDZBQOSA-N 2 0 304.503 3.837 20 0 DHADRP C[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358405 1020322066 /nfs/dbraw/zinc/32/20/66/1020322066.db2.gz UWVUYVRAGYLURU-QGZVFWFLSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000132607995 1020387515 /nfs/dbraw/zinc/38/75/15/1020387515.db2.gz CZAFKZYQOARJKQ-WQGACYEGSA-N 2 0 315.288 3.854 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000282415692 1020392952 /nfs/dbraw/zinc/39/29/52/1020392952.db2.gz COJNYBXGMYCRMJ-KDOFPFPSSA-N 2 0 317.452 3.560 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000655836249 1020410526 /nfs/dbraw/zinc/41/05/26/1020410526.db2.gz GRQBJORKPOOGCA-HLIPFELVSA-N 2 0 315.505 3.645 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CNCc1ncc(Cl)s1 ZINC000225304485 1020419257 /nfs/dbraw/zinc/41/92/57/1020419257.db2.gz PBTUGMUBNIULDJ-UHFFFAOYSA-N 2 0 323.893 3.928 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@]1(C)CCCS1 ZINC000628232574 1020425224 /nfs/dbraw/zinc/42/52/24/1020425224.db2.gz DVEKLDJUPZYNID-SFHVURJKSA-N 2 0 306.519 3.902 20 0 DHADRP CCC[C@@H](C)CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000625260527 1020436099 /nfs/dbraw/zinc/43/60/99/1020436099.db2.gz SJLVZKVERKXOHK-LJQANCHMSA-N 2 0 323.569 3.693 20 0 DHADRP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150798920 1020451043 /nfs/dbraw/zinc/45/10/43/1020451043.db2.gz QTUGGNXXMNHWGO-SFHVURJKSA-N 2 0 324.468 3.636 20 0 DHADRP [NH3+]CCCCCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000843127385 1020484011 /nfs/dbraw/zinc/48/40/11/1020484011.db2.gz OUBVGNIURPSGNV-UHFFFAOYSA-N 2 0 308.775 3.968 20 0 DHADRP Cc1ccc(CC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001116541112 1020536169 /nfs/dbraw/zinc/53/61/69/1020536169.db2.gz YKELGMGDYSKDCG-FQEVSTJZSA-N 2 0 300.490 3.734 20 0 DHADRP CSc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000642621114 1020548467 /nfs/dbraw/zinc/54/84/67/1020548467.db2.gz VBJFQYPJYOSYMD-HZPDHXFCSA-N 2 0 306.519 3.866 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1 ZINC000279783861 1020581561 /nfs/dbraw/zinc/58/15/61/1020581561.db2.gz CFJKSAGGVAHAHN-UHFFFAOYSA-N 2 0 314.477 3.596 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422740279 1020591830 /nfs/dbraw/zinc/59/18/30/1020591830.db2.gz NEQKXJBCVKLTJL-IAQYHMDHSA-N 2 0 301.261 3.514 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1C ZINC000858491157 1032915521 /nfs/dbraw/zinc/91/55/21/1032915521.db2.gz ZHEIHAHYMAMUJC-DLBZAZTESA-N 2 0 304.478 3.695 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171962340 1032933135 /nfs/dbraw/zinc/93/31/35/1032933135.db2.gz CMPNXLOZIBWKNB-HNNXBMFYSA-N 2 0 308.416 3.817 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCn2ccnc2C)c(C)c1 ZINC000414068460 1020842340 /nfs/dbraw/zinc/84/23/40/1020842340.db2.gz BBIMSBATDUOVRQ-HNNXBMFYSA-N 2 0 301.434 3.640 20 0 DHADRP CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000766224900 1020842726 /nfs/dbraw/zinc/84/27/26/1020842726.db2.gz NASLHDHJVMHPCM-YXJHDRRASA-N 2 0 322.518 3.562 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2CN(Cc3ccccc3)C2)CC(C)(C)C1 ZINC000716280050 1020843704 /nfs/dbraw/zinc/84/37/04/1020843704.db2.gz MSBPXCCFNQLXOY-VQIMIIECSA-N 2 0 300.490 3.923 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCC2CCCC2)cc1 ZINC000613261156 1020874460 /nfs/dbraw/zinc/87/44/60/1020874460.db2.gz RIMLNOYGDPOAEG-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CC2 ZINC000173228283 1020905064 /nfs/dbraw/zinc/90/50/64/1020905064.db2.gz YLIWQFFLOKCGLA-KRWDZBQOSA-N 2 0 302.462 3.581 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178098334 1020933090 /nfs/dbraw/zinc/93/30/90/1020933090.db2.gz FMYSCZGCILHOHX-IRXDYDNUSA-N 2 0 316.489 3.784 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCCO2 ZINC000414162410 1020949563 /nfs/dbraw/zinc/94/95/63/1020949563.db2.gz DIQSPSZYIQDUDW-GOSISDBHSA-N 2 0 307.397 3.646 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000414162856 1020950996 /nfs/dbraw/zinc/95/09/96/1020950996.db2.gz HUZKTGTYHUMBLJ-YOEHRIQHSA-N 2 0 306.881 3.593 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000414170888 1020959457 /nfs/dbraw/zinc/95/94/57/1020959457.db2.gz CPUGSKVFISYUIJ-AEFFLSMTSA-N 2 0 302.462 3.530 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414174963 1020963778 /nfs/dbraw/zinc/96/37/78/1020963778.db2.gz HVIVREDZZGAHRY-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC000174514212 1020983962 /nfs/dbraw/zinc/98/39/62/1020983962.db2.gz MSLJJQQVFDNTCZ-YLJYHZDGSA-N 2 0 324.468 3.838 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000613491548 1020999566 /nfs/dbraw/zinc/99/95/66/1020999566.db2.gz WZFGRYIQCKHQFJ-UHFFFAOYSA-N 2 0 318.505 3.899 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000414230004 1021016637 /nfs/dbraw/zinc/01/66/37/1021016637.db2.gz NIWBHROXTDFNBU-FRQCXROJSA-N 2 0 318.530 3.566 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)c2ccccc12 ZINC000766274769 1021037035 /nfs/dbraw/zinc/03/70/35/1021037035.db2.gz UTGZKPIPFVHLQS-HOTGVXAUSA-N 2 0 312.457 3.983 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000537952445 1032952652 /nfs/dbraw/zinc/95/26/52/1032952652.db2.gz FRFXHINPBOHHIO-HUUCEWRRSA-N 2 0 310.432 3.983 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3cccc(OC)c3o2)CC1 ZINC000742378219 1021115662 /nfs/dbraw/zinc/11/56/62/1021115662.db2.gz ZLPHTGGVUYFUSL-UHFFFAOYSA-N 2 0 316.445 3.653 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC001171971589 1032956280 /nfs/dbraw/zinc/95/62/80/1032956280.db2.gz WRJDCSRAJKCHBK-ZDUSSCGKSA-N 2 0 314.395 3.662 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1cccc(Cl)c1 ZINC000414364942 1021135320 /nfs/dbraw/zinc/13/53/20/1021135320.db2.gz NGOZIPFRQYMNGL-GVDBMIGSSA-N 2 0 322.880 3.714 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000537946685 1032958494 /nfs/dbraw/zinc/95/84/94/1032958494.db2.gz PUHJREGDDVZVGG-KXBFYZLASA-N 2 0 304.453 3.771 20 0 DHADRP CC(C)(C[NH2+]C1CCC2(COC(C)(C)C2)CC1)C[NH+]1CCCC1 ZINC001202242116 1021193563 /nfs/dbraw/zinc/19/35/63/1021193563.db2.gz KLYWNCWUMDNHDS-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP FC(F)(F)CC[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001202352869 1021224013 /nfs/dbraw/zinc/22/40/13/1021224013.db2.gz UECFJQXUWZJWJB-UHFFFAOYSA-N 2 0 312.379 3.537 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@]2(C)CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977649 1032966761 /nfs/dbraw/zinc/96/67/61/1032966761.db2.gz SYVWTMSXAUDBCE-ICSRJNTNSA-N 2 0 316.489 3.588 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000423474749 1021255871 /nfs/dbraw/zinc/25/58/71/1021255871.db2.gz IMHWJMZGOXBLRD-VQTJNVASSA-N 2 0 309.457 3.502 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000090956527 1021256342 /nfs/dbraw/zinc/25/63/42/1021256342.db2.gz XHWZWJMZNNNGHL-IGCXYCKISA-N 2 0 324.871 3.829 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000926796153 1021276714 /nfs/dbraw/zinc/27/67/14/1021276714.db2.gz JAOZLDZEIZTVKE-AVAKVYKDSA-N 2 0 301.478 3.775 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000624119497 1021347352 /nfs/dbraw/zinc/34/73/52/1021347352.db2.gz CZZUDAAWIOUZNS-KGLIPLIRSA-N 2 0 312.404 3.671 20 0 DHADRP CC(C)[NH+]1CCC(N(C)Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648355460 1021453275 /nfs/dbraw/zinc/45/32/75/1021453275.db2.gz RYMCTKAXAYEHHP-UHFFFAOYSA-N 2 0 321.852 3.786 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2C[C@@H]2C2CC2)C3)cc1 ZINC001172080049 1032981027 /nfs/dbraw/zinc/98/10/27/1032981027.db2.gz SJZNGURELBFDNL-XNTOXWQXSA-N 2 0 310.485 3.960 20 0 DHADRP C[C@H]([NH3+])c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172074194 1032981968 /nfs/dbraw/zinc/98/19/68/1032981968.db2.gz VHMMSUZGIQDIIK-GDAAHCPNSA-N 2 0 324.472 3.661 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000129452534 1021489338 /nfs/dbraw/zinc/48/93/38/1021489338.db2.gz MPBZAKMIMZWVCP-FZMZJTMJSA-N 2 0 301.261 3.608 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)CC[N@@H+]1C ZINC000129518264 1021502754 /nfs/dbraw/zinc/50/27/54/1021502754.db2.gz LSDFWSWXOCJYMA-XLIONFOSSA-N 2 0 324.468 3.838 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)CC[N@@H+]1C ZINC000129517829 1021503380 /nfs/dbraw/zinc/50/33/80/1021503380.db2.gz LSDFWSWXOCJYMA-YLJYHZDGSA-N 2 0 324.468 3.838 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058517 1021508916 /nfs/dbraw/zinc/50/89/16/1021508916.db2.gz LCYIBQGVERYOFG-HUUCEWRRSA-N 2 0 300.421 3.971 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000624122253 1021510554 /nfs/dbraw/zinc/51/05/54/1021510554.db2.gz NDUCIGVNJSUJLI-FUHWJXTLSA-N 2 0 304.478 3.776 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850420416 1021521637 /nfs/dbraw/zinc/52/16/37/1021521637.db2.gz OLSUEBCCSYUUNJ-CVEARBPZSA-N 2 0 318.427 3.819 20 0 DHADRP COc1ccc(Cl)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850420339 1021522307 /nfs/dbraw/zinc/52/23/07/1021522307.db2.gz NANQJGASAKMADB-UHFFFAOYSA-N 2 0 322.880 3.560 20 0 DHADRP CCCOCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062894 1032987767 /nfs/dbraw/zinc/98/77/67/1032987767.db2.gz AJUWPFOEURRDLQ-ACDBMABISA-N 2 0 316.489 3.588 20 0 DHADRP CCCOCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062896 1032990142 /nfs/dbraw/zinc/99/01/42/1032990142.db2.gz AJUWPFOEURRDLQ-OWZKRDHZSA-N 2 0 316.489 3.588 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000850542248 1021595104 /nfs/dbraw/zinc/59/51/04/1021595104.db2.gz KGNYXOVUDLLSQO-LPHOPBHVSA-N 2 0 315.505 3.645 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014394 1021612738 /nfs/dbraw/zinc/61/27/38/1021612738.db2.gz XAAYUCLSRHRBDF-RNIPGJKVSA-N 2 0 318.892 3.954 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000556221615 1021619608 /nfs/dbraw/zinc/61/96/08/1021619608.db2.gz BODSJEHZMQAPIF-HKUYNNGSSA-N 2 0 322.537 3.826 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000093597105 1021630205 /nfs/dbraw/zinc/63/02/05/1021630205.db2.gz SMKSOQJWDYSLFH-GOSISDBHSA-N 2 0 324.468 3.766 20 0 DHADRP C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000036968420 1021633760 /nfs/dbraw/zinc/63/37/60/1021633760.db2.gz UUFILHRNCBLSFO-LRDDRELGSA-N 2 0 308.466 3.683 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000538115623 1032992154 /nfs/dbraw/zinc/99/21/54/1032992154.db2.gz AZPKLQSYGKLPRL-MSOLQXFVSA-N 2 0 324.896 3.738 20 0 DHADRP CCOC[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093839141 1021687316 /nfs/dbraw/zinc/68/73/16/1021687316.db2.gz FSQOICJIBYPDAW-IBGZPJMESA-N 2 0 318.505 3.503 20 0 DHADRP Cc1cccc2c(CC[NH3+])cn([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c21 ZINC001172103143 1033007041 /nfs/dbraw/zinc/00/70/41/1033007041.db2.gz SPGPJNXCRAFFPU-BCDXTJNWSA-N 2 0 311.473 3.639 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000926887215 1021776893 /nfs/dbraw/zinc/77/68/93/1021776893.db2.gz HEXNOCDNYXYJRH-LHQJTOJGSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1c(C)n([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccc(C[NH3+])cc12 ZINC001172102437 1033004461 /nfs/dbraw/zinc/00/44/61/1033004461.db2.gz MWUKRCHSOWENAN-PIIMJCKOSA-N 2 0 311.473 3.905 20 0 DHADRP Cc1ccccc1CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172108963 1033008154 /nfs/dbraw/zinc/00/81/54/1033008154.db2.gz AVCFAHJSBXPUIY-OWZKRDHZSA-N 2 0 312.501 3.923 20 0 DHADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)c1ccccc1 ZINC000893044882 1021829919 /nfs/dbraw/zinc/82/99/19/1021829919.db2.gz KIHMRRWLBMNDQX-XVLXNVKGSA-N 2 0 300.490 3.958 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000261985580 1021864791 /nfs/dbraw/zinc/86/47/91/1021864791.db2.gz SDWJDAXJEPSKCU-GFCCVEGCSA-N 2 0 319.836 3.554 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1ccc(F)cc1)C2 ZINC001172111319 1033011616 /nfs/dbraw/zinc/01/16/16/1033011616.db2.gz QAQXKHBHPDEZBR-REPLKXPHSA-N 2 0 318.480 3.999 20 0 DHADRP c1ccc(C[NH+]2CCC(Nc3cc[nH+]c4ccccc34)CC2)nc1 ZINC000264617762 1033014056 /nfs/dbraw/zinc/01/40/56/1033014056.db2.gz FOLSIYLTNCQLGM-UHFFFAOYSA-N 2 0 318.424 3.706 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1ccc(Cl)cc1 ZINC000556871329 1021912245 /nfs/dbraw/zinc/91/22/45/1021912245.db2.gz LJAVRUBRBAPBBK-BVPBIZIASA-N 2 0 322.880 3.570 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000556872399 1021915813 /nfs/dbraw/zinc/91/58/13/1021915813.db2.gz XTLNIPTVYJFLIM-BPUTZDHNSA-N 2 0 312.379 3.668 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@H]2CCC[C@@H]21 ZINC000556886758 1021916458 /nfs/dbraw/zinc/91/64/58/1021916458.db2.gz VQHQKIDKQCKHCY-QYZOEREBSA-N 2 0 314.473 3.580 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000556886091 1021921027 /nfs/dbraw/zinc/92/10/27/1021921027.db2.gz KKXYUPXWAJDKFX-CHEUSRNYSA-N 2 0 302.437 3.534 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3ccc(Cl)cc31)C2 ZINC001172113201 1033019389 /nfs/dbraw/zinc/01/93/89/1033019389.db2.gz HLBZNOCPDDEQEP-JYYAWHABSA-N 2 0 320.864 3.769 20 0 DHADRP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001172119438 1033023217 /nfs/dbraw/zinc/02/32/17/1033023217.db2.gz ZVCXFFAXTGPXEG-ZMMAXQRCSA-N 2 0 301.478 3.774 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3F)CC1)C2 ZINC001172112531 1033021216 /nfs/dbraw/zinc/02/12/16/1033021216.db2.gz XDXOBSIDPBAYMS-BCDXTJNWSA-N 2 0 316.464 3.753 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@H]2CC[C@@H](OC)C2)CC1)CC(C)C ZINC000851892652 1022028657 /nfs/dbraw/zinc/02/86/57/1022028657.db2.gz PKJQJKJOHALIMF-RBUKOAKNSA-N 2 0 310.526 3.634 20 0 DHADRP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000620119788 1022041738 /nfs/dbraw/zinc/04/17/38/1022041738.db2.gz OJANSAXCBYCWLK-FUHWJXTLSA-N 2 0 304.478 3.543 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172185589 1033028589 /nfs/dbraw/zinc/02/85/89/1033028589.db2.gz SYBYPRXKNYDRED-WBVHZDCISA-N 2 0 306.519 3.804 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172192139 1033033576 /nfs/dbraw/zinc/03/35/76/1033033576.db2.gz XRIKINFRYNBXHE-JZXOWHBKSA-N 2 0 318.530 3.661 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000309887746 1022181019 /nfs/dbraw/zinc/18/10/19/1022181019.db2.gz ADFWSPNALPKXAP-WOJBJXKFSA-N 2 0 314.473 3.571 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893186900 1022189456 /nfs/dbraw/zinc/18/94/56/1022189456.db2.gz HYJKOLWMINRWLA-UHFFFAOYSA-N 2 0 322.443 3.921 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172192141 1033035171 /nfs/dbraw/zinc/03/51/71/1033035171.db2.gz XRIKINFRYNBXHE-SOLBZPMBSA-N 2 0 318.530 3.661 20 0 DHADRP C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CCC[C@@H]1C[NH3+] ZINC001205996608 1022221283 /nfs/dbraw/zinc/22/12/83/1022221283.db2.gz XVBDGXFZILGABA-NWDGAFQWSA-N 2 0 301.261 3.800 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C/C(=C/F)CCc1ccc(F)cc1)C2 ZINC001169102090 1022246669 /nfs/dbraw/zinc/24/66/69/1022246669.db2.gz WZOJOWDIKURFLB-NPYQLAMWSA-N 2 0 320.427 3.827 20 0 DHADRP CCCC[C@@H](CC)COCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099798 1022247950 /nfs/dbraw/zinc/24/79/50/1022247950.db2.gz VXDOFRUXWPPLRB-MKXGPGLRSA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H](Cc3ccccc3)CC(C)C)C[C@H]2C1 ZINC001169085593 1022253099 /nfs/dbraw/zinc/25/30/99/1022253099.db2.gz OZOJUHXOEGUDMV-VAMGGRTRSA-N 2 0 300.490 3.527 20 0 DHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H](Cc3ccccc3)CC(C)C)C[C@H]2C1 ZINC001169085914 1022253783 /nfs/dbraw/zinc/25/37/83/1022253783.db2.gz PTRACXHFMDAWHY-NJYVYQBISA-N 2 0 314.517 3.917 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3c(Cl)cccc31)C2 ZINC001169122540 1022257720 /nfs/dbraw/zinc/25/77/20/1022257720.db2.gz AFSOURLLDPKZSC-KYZVSKTDSA-N 2 0 304.865 3.932 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccco2)ccc1OC ZINC000182191800 1022269215 /nfs/dbraw/zinc/26/92/15/1022269215.db2.gz IRLAYSKAXLLZSY-HNNXBMFYSA-N 2 0 316.445 3.981 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3F)CCC1)C2 ZINC001169115737 1022269253 /nfs/dbraw/zinc/26/92/53/1022269253.db2.gz NQUVIWVOCRFFPQ-NNZMDNLPSA-N 2 0 316.464 3.753 20 0 DHADRP CC1(C)C[C@H](Nc2cc(OC(F)F)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169147642 1022280146 /nfs/dbraw/zinc/28/01/46/1022280146.db2.gz SBEIGQTUXWGBLS-MEDUHNTESA-N 2 0 313.392 3.639 20 0 DHADRP CC1(C)C[C@H](Nc2cccc3c2CC[C@@H]3[NH3+])C[C@@](C)(C[NH3+])C1 ZINC001169150028 1022280357 /nfs/dbraw/zinc/28/03/57/1022280357.db2.gz ABTNGVMZNUCXMA-IYJAJMOOSA-N 2 0 301.478 3.588 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000363853371 1022338858 /nfs/dbraw/zinc/33/88/58/1022338858.db2.gz DEJAXPFQGWJQGG-XFKSJGNHSA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000163238934 1022344019 /nfs/dbraw/zinc/34/40/19/1022344019.db2.gz NRNZXJKSCYIPQD-HOTGVXAUSA-N 2 0 312.457 3.841 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000268874488 1022386433 /nfs/dbraw/zinc/38/64/33/1022386433.db2.gz WDHGLLMKVIKXNO-UHFFFAOYSA-N 2 0 315.505 3.508 20 0 DHADRP C[C@@H]([NH2+]CCc1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155569383 1022407189 /nfs/dbraw/zinc/40/71/89/1022407189.db2.gz AYRHXZQFKUWJNJ-OAHLLOKOSA-N 2 0 318.486 3.582 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)c1cccnc1 ZINC000155978329 1022431062 /nfs/dbraw/zinc/43/10/62/1022431062.db2.gz IILMNRNSFIEUBA-XLIONFOSSA-N 2 0 309.457 3.787 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000271446710 1022470094 /nfs/dbraw/zinc/47/00/94/1022470094.db2.gz HLYUZTWANJHVGO-KRWDZBQOSA-N 2 0 320.477 3.617 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000156804690 1022494614 /nfs/dbraw/zinc/49/46/14/1022494614.db2.gz BKCSWRHDOKIQQG-JKSUJKDBSA-N 2 0 304.478 3.856 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172197892 1033058414 /nfs/dbraw/zinc/05/84/14/1033058414.db2.gz NXQLZMROKJXVBQ-QGZVFWFLSA-N 2 0 318.530 3.804 20 0 DHADRP Cc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000157079360 1022519085 /nfs/dbraw/zinc/51/90/85/1022519085.db2.gz KQKMMMKTPFHUQU-GOSISDBHSA-N 2 0 315.505 3.867 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CC[C@@H]3CCc4ccccc43)C2)CC1 ZINC001169780645 1022544078 /nfs/dbraw/zinc/54/40/78/1022544078.db2.gz ORYMPTDCGNWBOB-IBGZPJMESA-N 2 0 312.501 3.914 20 0 DHADRP CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000273779725 1022549801 /nfs/dbraw/zinc/54/98/01/1022549801.db2.gz SDPXLUHUPSAOEC-AYHJJNSGSA-N 2 0 304.503 3.525 20 0 DHADRP CCn1nc(C[NH2+][C@H](C)CCC[NH+](CC)CC)c2ccccc21 ZINC000274415548 1022566702 /nfs/dbraw/zinc/56/67/02/1022566702.db2.gz JBBYWCUKEHMJBE-MRXNPFEDSA-N 2 0 316.493 3.656 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2C)CC1 ZINC001172250069 1033069119 /nfs/dbraw/zinc/06/91/19/1033069119.db2.gz NZUHZRUHRGVUEH-OAHLLOKOSA-N 2 0 324.896 3.800 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000158646567 1022653521 /nfs/dbraw/zinc/65/35/21/1022653521.db2.gz PVDJHTPQOWVRTA-QUCCMNQESA-N 2 0 324.468 3.635 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCC2)CC[N@@H+]1C ZINC000158982247 1022679165 /nfs/dbraw/zinc/67/91/65/1022679165.db2.gz VOYSOXGLRGCBAT-WMLDXEAASA-N 2 0 306.881 3.834 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCc2ccc(C)cc2)[C@H](C)C1 ZINC000158964399 1022680156 /nfs/dbraw/zinc/68/01/56/1022680156.db2.gz KBWSIENCBDFMFX-SJLPKXTDSA-N 2 0 306.519 3.548 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1)CC(C)C ZINC000660172700 1022784249 /nfs/dbraw/zinc/78/42/49/1022784249.db2.gz SRHZVJHSQNBING-SFHVURJKSA-N 2 0 310.526 3.634 20 0 DHADRP C[C@H]([NH2+]CCOCc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000660239127 1022789559 /nfs/dbraw/zinc/78/95/59/1022789559.db2.gz OYYJRMBCABVUME-KRWDZBQOSA-N 2 0 321.424 3.740 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172332097 1033080911 /nfs/dbraw/zinc/08/09/11/1033080911.db2.gz CTFRDNNSTNEYDW-SJORKVTESA-N 2 0 312.542 3.928 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000132917987 1033082825 /nfs/dbraw/zinc/08/28/25/1033082825.db2.gz IFWKFQNYSSRTFR-IRXDYDNUSA-N 2 0 316.489 3.579 20 0 DHADRP CCC[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605378 1022836592 /nfs/dbraw/zinc/83/65/92/1022836592.db2.gz WJKFTOMZHIYWOG-LPHOPBHVSA-N 2 0 319.493 3.564 20 0 DHADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)CC1 ZINC001207485189 1022841245 /nfs/dbraw/zinc/84/12/45/1022841245.db2.gz UBRJRTWKSJUZAS-MRXNPFEDSA-N 2 0 306.881 3.861 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000621733226 1022841451 /nfs/dbraw/zinc/84/14/51/1022841451.db2.gz FWQPRUFJPNQZHE-BHYGNILZSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000621733227 1022844178 /nfs/dbraw/zinc/84/41/78/1022844178.db2.gz FWQPRUFJPNQZHE-UAGQMJEPSA-N 2 0 308.416 3.532 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCCO2 ZINC000768094209 1022878333 /nfs/dbraw/zinc/87/83/33/1022878333.db2.gz URAFDEZPFPTTHK-QYZOEREBSA-N 2 0 314.473 3.679 20 0 DHADRP CSc1cccc(Cl)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222147868 1022898592 /nfs/dbraw/zinc/89/85/92/1022898592.db2.gz CPRQCRGUMDTGBC-MRXNPFEDSA-N 2 0 310.894 3.637 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000119955662 1022903177 /nfs/dbraw/zinc/90/31/77/1022903177.db2.gz AANYHKAVQXBHIR-HOTGVXAUSA-N 2 0 320.477 3.619 20 0 DHADRP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000768200268 1022913095 /nfs/dbraw/zinc/91/30/95/1022913095.db2.gz MJSLNIJXELZLFV-UHFFFAOYSA-N 2 0 316.420 3.528 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000414926233 1022921252 /nfs/dbraw/zinc/92/12/52/1022921252.db2.gz NBFVELXTATWWBO-KBPBESRZSA-N 2 0 320.383 3.801 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000163942957 1022933492 /nfs/dbraw/zinc/93/34/92/1022933492.db2.gz RCVVPWLSMJOCBJ-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859166271 1033088617 /nfs/dbraw/zinc/08/86/17/1033088617.db2.gz WXHMPNMMZZSFAE-INIZCTEOSA-N 2 0 319.468 3.697 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000165340663 1022978024 /nfs/dbraw/zinc/97/80/24/1022978024.db2.gz BRSVLVDKFHOCEJ-QUCCMNQESA-N 2 0 300.490 3.575 20 0 DHADRP C[C@@]1(C[NH2+]Cc2ccc(O)cc2)CCCN1Cc1ccccc1 ZINC000397922014 1023004807 /nfs/dbraw/zinc/00/48/07/1023004807.db2.gz QMGFWFKDLRCTTO-FQEVSTJZSA-N 2 0 310.441 3.537 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000859211833 1033100063 /nfs/dbraw/zinc/10/00/63/1033100063.db2.gz ARMRJBYGWCRFGL-OAHLLOKOSA-N 2 0 315.288 3.764 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000298487497 1023032233 /nfs/dbraw/zinc/03/22/33/1023032233.db2.gz PSJFBJFJTONPPN-ZDUSSCGKSA-N 2 0 317.383 3.679 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccc(OCC)cc2)CC1 ZINC000651490062 1023037946 /nfs/dbraw/zinc/03/79/46/1023037946.db2.gz WYKSDKLIWZXBRJ-KRWDZBQOSA-N 2 0 318.505 3.728 20 0 DHADRP CCCC[C@H](CC)CC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415130244 1023044471 /nfs/dbraw/zinc/04/44/71/1023044471.db2.gz WNIKRNNBZXKSNZ-QXAKKESOSA-N 2 0 310.526 3.811 20 0 DHADRP CCCC[C@H](CC)CC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415130246 1023045871 /nfs/dbraw/zinc/04/58/71/1023045871.db2.gz WNIKRNNBZXKSNZ-WDSOQIARSA-N 2 0 310.526 3.811 20 0 DHADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000364349291 1023067100 /nfs/dbraw/zinc/06/71/00/1023067100.db2.gz XCHMSVFPVYACJH-RBUKOAKNSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000658356854 1023073910 /nfs/dbraw/zinc/07/39/10/1023073910.db2.gz PTNPPCNAFVTFOZ-ZDUSSCGKSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000089597390 1023090837 /nfs/dbraw/zinc/09/08/37/1023090837.db2.gz PVRFYHQWVCZVRK-JFIYKMOQSA-N 2 0 304.478 3.507 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000367683835 1023181660 /nfs/dbraw/zinc/18/16/60/1023181660.db2.gz DUDGGKMZTKLORH-DBDQLMEASA-N 2 0 316.514 3.523 20 0 DHADRP CCCCCC[C@@H](CCC)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001172379482 1033114981 /nfs/dbraw/zinc/11/49/81/1033114981.db2.gz UJBMZTVCTAUITL-LJQANCHMSA-N 2 0 311.558 3.741 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000769876893 1023239391 /nfs/dbraw/zinc/23/93/91/1023239391.db2.gz UXXOUHIJBOPMEW-HUUCEWRRSA-N 2 0 307.482 3.708 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172332678 1033118416 /nfs/dbraw/zinc/11/84/16/1033118416.db2.gz VFTOFJAUZXJRBD-ZWKOTPCHSA-N 2 0 322.537 3.921 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H]3C[C@H]4C[C@H]4C3)C2)s1 ZINC000660497992 1023281667 /nfs/dbraw/zinc/28/16/67/1023281667.db2.gz VSQZSOYPAYTGBG-FJIDUMEYSA-N 2 0 318.530 3.856 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccccc1 ZINC000925705435 1023294168 /nfs/dbraw/zinc/29/41/68/1023294168.db2.gz JCBOUYMMIHJOSY-IAGOWNOFSA-N 2 0 304.503 3.590 20 0 DHADRP CCOc1cc(C)ccc1CN1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001279835427 1023470564 /nfs/dbraw/zinc/47/05/64/1023470564.db2.gz MVMQVAOLFAAHNJ-HXUWFJFHSA-N 2 0 316.489 3.702 20 0 DHADRP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000651692282 1023471725 /nfs/dbraw/zinc/47/17/25/1023471725.db2.gz ARPMEVALOGTZCR-SFHVURJKSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651728890 1023504987 /nfs/dbraw/zinc/50/49/87/1023504987.db2.gz OYOGDYXCEJPTKE-UHFFFAOYSA-N 2 0 315.461 3.676 20 0 DHADRP C[C@@H]1CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172367171 1033146904 /nfs/dbraw/zinc/14/69/04/1033146904.db2.gz FTNFHXBVBKCKMB-QQXMDYFESA-N 2 0 315.505 3.978 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)C[C@@H]1C ZINC001172367149 1033146989 /nfs/dbraw/zinc/14/69/89/1033146989.db2.gz RDHYTGALTBFCOO-WSTZPKSXSA-N 2 0 322.537 3.636 20 0 DHADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000772482950 1023559451 /nfs/dbraw/zinc/55/94/51/1023559451.db2.gz XIIBPYPTOKPIOD-OAQYLSRUSA-N 2 0 321.468 3.884 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)C[C@H]1C ZINC001172362350 1033142456 /nfs/dbraw/zinc/14/24/56/1033142456.db2.gz WOLUPQWTSVOQGY-BZUAXINKSA-N 2 0 324.534 3.989 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)C[C@@H]1C ZINC001172362353 1033142679 /nfs/dbraw/zinc/14/26/79/1033142679.db2.gz WOLUPQWTSVOQGY-PMPSAXMXSA-N 2 0 324.534 3.989 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651833824 1023581761 /nfs/dbraw/zinc/58/17/61/1023581761.db2.gz QFFITPSAYWPENI-SSDMNJCBSA-N 2 0 310.844 3.929 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)C[C@H]1C ZINC001172368510 1033148675 /nfs/dbraw/zinc/14/86/75/1033148675.db2.gz ITPBBRJPWACPOL-ZHALLVOQSA-N 2 0 300.490 3.847 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H](C)CC1CCOCC1)C1CCCCC1 ZINC000651910203 1023631968 /nfs/dbraw/zinc/63/19/68/1023631968.db2.gz LBOMOUJACBLTLD-KRWDZBQOSA-N 2 0 310.526 3.826 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)C[C@H]1C ZINC001172368346 1033149446 /nfs/dbraw/zinc/14/94/46/1033149446.db2.gz OAFHLAZXUWPCOE-HLIPFELVSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1C ZINC001172368351 1033149587 /nfs/dbraw/zinc/14/95/87/1033149587.db2.gz OAFHLAZXUWPCOE-UWVAXJGDSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)C[C@@H]1C ZINC001172371890 1033151349 /nfs/dbraw/zinc/15/13/49/1033151349.db2.gz VQSOMLUNUHSVRX-FUHIMQAGSA-N 2 0 315.505 3.708 20 0 DHADRP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCCO1 ZINC000662927253 1023685074 /nfs/dbraw/zinc/68/50/74/1023685074.db2.gz DZUSWEODZBIVGP-UHFFFAOYSA-N 2 0 316.489 3.673 20 0 DHADRP FCC[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](CCF)C2)C1 ZINC000661690133 1023687337 /nfs/dbraw/zinc/68/73/37/1023687337.db2.gz JPEWVJPYTKCDFC-IAGOWNOFSA-N 2 0 302.453 3.520 20 0 DHADRP CC[C@H](CC(C)C)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172403002 1033154543 /nfs/dbraw/zinc/15/45/43/1033154543.db2.gz YCLHARBVPVBHQB-BHIYHBOVSA-N 2 0 303.494 3.978 20 0 DHADRP COc1cccc([C@]2(C)CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000661711843 1023701884 /nfs/dbraw/zinc/70/18/84/1023701884.db2.gz KGPRFVLZBQSALC-HXUWFJFHSA-N 2 0 316.489 3.535 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000164594280 1023800913 /nfs/dbraw/zinc/80/09/13/1023800913.db2.gz ZBPPQGDTGUUDIA-GOSISDBHSA-N 2 0 300.450 3.744 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000164594163 1023801170 /nfs/dbraw/zinc/80/11/70/1023801170.db2.gz ZBPPQGDTGUUDIA-SFHVURJKSA-N 2 0 300.450 3.744 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348075 1023806670 /nfs/dbraw/zinc/80/66/70/1023806670.db2.gz TYGCDWQULWDKRY-AETAKHFUSA-N 2 0 322.880 3.619 20 0 DHADRP CC(C)CCC[C@H](C)[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001170077155 1023813354 /nfs/dbraw/zinc/81/33/54/1023813354.db2.gz GPKDMVZQCKLTBO-IHPCNDPISA-N 2 0 315.505 3.660 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000249580054 1023920391 /nfs/dbraw/zinc/92/03/91/1023920391.db2.gz NDSAYEIRUVEZPM-LPHOPBHVSA-N 2 0 316.489 3.783 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788671760 1023923199 /nfs/dbraw/zinc/92/31/99/1023923199.db2.gz NOZRITJISWPATD-GOEBONIOSA-N 2 0 321.896 3.680 20 0 DHADRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC001170088696 1023927795 /nfs/dbraw/zinc/92/77/95/1023927795.db2.gz YCJHICADSVOAOH-HKUYNNGSSA-N 2 0 310.526 3.776 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000193866592 1023979082 /nfs/dbraw/zinc/97/90/82/1023979082.db2.gz FYDHBVMHTHWIHD-FQEVSTJZSA-N 2 0 314.473 3.523 20 0 DHADRP C[N@H+](CCC[NH3+])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408353 1023984915 /nfs/dbraw/zinc/98/49/15/1023984915.db2.gz ZYMYPHHVLNUSFE-GJZGRUSLSA-N 2 0 300.368 3.622 20 0 DHADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000876896697 1033179149 /nfs/dbraw/zinc/17/91/49/1033179149.db2.gz LBABJRKZKRGXSM-QYWGDWMGSA-N 2 0 318.442 3.564 20 0 DHADRP Fc1ccccc1C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662249762 1024030789 /nfs/dbraw/zinc/03/07/89/1024030789.db2.gz ZZDYCRQHBONUAQ-UHFFFAOYSA-N 2 0 310.416 3.636 20 0 DHADRP C[N@H+](Cc1cc2ccccc2o1)Cc1cccc2c1CC[NH2+]C2 ZINC000662255227 1024034785 /nfs/dbraw/zinc/03/47/85/1024034785.db2.gz BLUBDCDEHUZVMY-UHFFFAOYSA-N 2 0 306.409 3.711 20 0 DHADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC000662273826 1024053329 /nfs/dbraw/zinc/05/33/29/1024053329.db2.gz PWEDOVHNMCSDFC-HUUCEWRRSA-N 2 0 322.880 3.560 20 0 DHADRP CC(C)c1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000662282183 1024060972 /nfs/dbraw/zinc/06/09/72/1024060972.db2.gz UBASKFLPSROHLK-WOJBJXKFSA-N 2 0 316.489 3.528 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(F)ccc1F ZINC000662282309 1024062041 /nfs/dbraw/zinc/06/20/41/1024062041.db2.gz OLEPKVHIDDCYSF-LJQANCHMSA-N 2 0 316.395 3.851 20 0 DHADRP FC(F)c1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293558 1024073422 /nfs/dbraw/zinc/07/34/22/1024073422.db2.gz LWJBYTSLHDHPON-KRWDZBQOSA-N 2 0 308.416 3.836 20 0 DHADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298412 1024081903 /nfs/dbraw/zinc/08/19/03/1024081903.db2.gz WAMSEBTVXZCNJB-UKRRQHHQSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)[C@@H]1CCC[NH3+] ZINC000662315632 1024101546 /nfs/dbraw/zinc/10/15/46/1024101546.db2.gz UUSDHNYCXHKZSJ-RDTXWAMCSA-N 2 0 315.436 3.713 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268759381 1024152364 /nfs/dbraw/zinc/15/23/64/1024152364.db2.gz KVONCWXUMFGTON-OAHLLOKOSA-N 2 0 317.502 3.941 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268759007 1024153695 /nfs/dbraw/zinc/15/36/95/1024153695.db2.gz ZMFPUXNMOHBAKN-HOTGVXAUSA-N 2 0 304.478 3.878 20 0 DHADRP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268756410 1024153920 /nfs/dbraw/zinc/15/39/20/1024153920.db2.gz JQLRXQBVCJCBDG-FQEVSTJZSA-N 2 0 321.399 3.848 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001170117847 1024164054 /nfs/dbraw/zinc/16/40/54/1024164054.db2.gz OAWXKXVJVAOYGU-GDBMZVCRSA-N 2 0 306.881 3.864 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(SC(F)F)cc1 ZINC000268879325 1024186692 /nfs/dbraw/zinc/18/66/92/1024186692.db2.gz FHEMFCFBOKGKMP-GFCCVEGCSA-N 2 0 302.434 3.994 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268883355 1024187368 /nfs/dbraw/zinc/18/73/68/1024187368.db2.gz FPCJJOPAYJURAY-HNNXBMFYSA-N 2 0 316.367 3.504 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790048477 1024212158 /nfs/dbraw/zinc/21/21/58/1024212158.db2.gz HRZONHXFLDLWGX-PKOBYXMFSA-N 2 0 300.490 3.961 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269026398 1024224235 /nfs/dbraw/zinc/22/42/35/1024224235.db2.gz QOTOPNJCXRYKDQ-OAHLLOKOSA-N 2 0 304.453 3.753 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000269044166 1024230306 /nfs/dbraw/zinc/23/03/06/1024230306.db2.gz URYUCFUACNHBMF-HZPDHXFCSA-N 2 0 316.489 3.794 20 0 DHADRP C[C@H]([NH2+]CCc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272500720 1024256338 /nfs/dbraw/zinc/25/63/38/1024256338.db2.gz NWKVFOLKIVUMOF-FUHWJXTLSA-N 2 0 314.498 3.791 20 0 DHADRP Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC001170132842 1024269934 /nfs/dbraw/zinc/26/99/34/1024269934.db2.gz OGXBMBIDXGRRIX-DOTOQJQBSA-N 2 0 309.457 3.854 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876989027 1033198776 /nfs/dbraw/zinc/19/87/76/1033198776.db2.gz RQQUMHJEXLFQQS-GFCCVEGCSA-N 2 0 323.893 3.771 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000531710354 1024277583 /nfs/dbraw/zinc/27/75/83/1024277583.db2.gz WVLNLXDQFWCXCH-CKEIUWERSA-N 2 0 308.897 3.936 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531731408 1024283914 /nfs/dbraw/zinc/28/39/14/1024283914.db2.gz CMOXZZAENMSXPM-IERDGZPVSA-N 2 0 312.501 3.923 20 0 DHADRP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000876994014 1033199673 /nfs/dbraw/zinc/19/96/73/1033199673.db2.gz ZWGCKUAOPGFOSF-AWEZNQCLSA-N 2 0 319.320 3.815 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682592 1024313785 /nfs/dbraw/zinc/31/37/85/1024313785.db2.gz SKSARVAQRQTKHS-NEWSRXKRSA-N 2 0 324.553 3.806 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453075439 1024314464 /nfs/dbraw/zinc/31/44/64/1024314464.db2.gz FLYGTHPMHWAIPN-KRWDZBQOSA-N 2 0 303.494 3.647 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883256197 1024325714 /nfs/dbraw/zinc/32/57/14/1024325714.db2.gz QHJBFPCDIKISQV-DOTOQJQBSA-N 2 0 322.443 3.922 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453115938 1024344514 /nfs/dbraw/zinc/34/45/14/1024344514.db2.gz XIVRQGRTNJQQKO-MJGOQNOKSA-N 2 0 303.494 3.503 20 0 DHADRP Nc1cccc2c1ccnc2NC1CC[NH+](CC2CCCC2)CC1 ZINC000663455657 1024382470 /nfs/dbraw/zinc/38/24/70/1024382470.db2.gz QNXHNWNBTZRAKE-UHFFFAOYSA-N 2 0 324.472 3.884 20 0 DHADRP c1cncc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CCC2)c1 ZINC000663463559 1024397234 /nfs/dbraw/zinc/39/72/34/1024397234.db2.gz ADCFOOBGFLQORG-XLIONFOSSA-N 2 0 313.489 3.634 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(CO)c1 ZINC000270526730 1024400902 /nfs/dbraw/zinc/40/09/02/1024400902.db2.gz SWAYCGCRNOPVJH-INIZCTEOSA-N 2 0 316.489 3.627 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453214659 1024404570 /nfs/dbraw/zinc/40/45/70/1024404570.db2.gz FCHQSNLKAPPEOB-USYVTKNRSA-N 2 0 316.464 3.910 20 0 DHADRP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468066 1024405137 /nfs/dbraw/zinc/40/51/37/1024405137.db2.gz KCSVLAJBAZVAOP-WMZOPIPTSA-N 2 0 318.480 3.858 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453214657 1024405095 /nfs/dbraw/zinc/40/50/95/1024405095.db2.gz FCHQSNLKAPPEOB-IVDHNXQLSA-N 2 0 316.464 3.910 20 0 DHADRP FC1(F)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453210865 1024405532 /nfs/dbraw/zinc/40/55/32/1024405532.db2.gz MOYUUWDOFYNLDM-RCCFBDPRSA-N 2 0 320.427 3.817 20 0 DHADRP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468063 1024405697 /nfs/dbraw/zinc/40/56/97/1024405697.db2.gz KCSVLAJBAZVAOP-FUHWJXTLSA-N 2 0 318.480 3.858 20 0 DHADRP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000663467369 1024407474 /nfs/dbraw/zinc/40/74/74/1024407474.db2.gz FCGIQCHGJGWFPM-UZLBHIALSA-N 2 0 316.464 3.988 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468958 1024415482 /nfs/dbraw/zinc/41/54/82/1024415482.db2.gz NREHJOSXGBWKHF-IAGOWNOFSA-N 2 0 306.519 3.781 20 0 DHADRP COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663471147 1024418176 /nfs/dbraw/zinc/41/81/76/1024418176.db2.gz XAGVMCNBVAIRII-GOEBONIOSA-N 2 0 320.452 3.607 20 0 DHADRP FCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453250538 1024426141 /nfs/dbraw/zinc/42/61/41/1024426141.db2.gz ZKYSMXAWZGYNHS-QRVBRYPASA-N 2 0 304.453 3.769 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438875 1024436539 /nfs/dbraw/zinc/43/65/39/1024436539.db2.gz DXZCWSCHHAHTND-NSHGMRRFSA-N 2 0 316.489 3.604 20 0 DHADRP COc1ccc(C[N@H+](CCn2ccnc2C)[C@H](C)C2CC2)cc1 ZINC000270903070 1024437166 /nfs/dbraw/zinc/43/71/66/1024437166.db2.gz ZZYDGQHZRKWVMY-OAHLLOKOSA-N 2 0 313.445 3.501 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2CC)[C@@H](C)C1 ZINC000453296599 1024444343 /nfs/dbraw/zinc/44/43/43/1024444343.db2.gz YWCDXBWDDOWSFN-VJANTYMQSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000303398584 1024461799 /nfs/dbraw/zinc/46/17/99/1024461799.db2.gz FDQIDVXRYMBQKS-APWZRJJASA-N 2 0 310.441 3.577 20 0 DHADRP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000453375902 1024494971 /nfs/dbraw/zinc/49/49/71/1024494971.db2.gz ULYYHCLQTAOVDF-UTKZUKDTSA-N 2 0 323.484 3.699 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000453397999 1024498144 /nfs/dbraw/zinc/49/81/44/1024498144.db2.gz KFPYTVLSARPBQZ-FQEVSTJZSA-N 2 0 309.457 3.635 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C1CC1 ZINC000453401124 1024498763 /nfs/dbraw/zinc/49/87/63/1024498763.db2.gz MQMBLMVLTQNXIW-YLJYHZDGSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453408733 1024503581 /nfs/dbraw/zinc/50/35/81/1024503581.db2.gz SUFMGYVBRLVISI-AWEZNQCLSA-N 2 0 310.432 3.750 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1OC(F)F ZINC000453407073 1024504087 /nfs/dbraw/zinc/50/40/87/1024504087.db2.gz DEAZXWQRXUYOMN-CYBMUJFWSA-N 2 0 312.404 3.813 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000453409313 1024506288 /nfs/dbraw/zinc/50/62/88/1024506288.db2.gz GDNGLWWTGDXRDB-OXJNMPFZSA-N 2 0 315.505 3.565 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000453397761 1024512074 /nfs/dbraw/zinc/51/20/74/1024512074.db2.gz JWVBXFLKEKOSJY-MOPGFXCFSA-N 2 0 304.453 3.926 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453395325 1024512180 /nfs/dbraw/zinc/51/21/80/1024512180.db2.gz HSXNRHNJCNJWMH-CVEARBPZSA-N 2 0 304.478 3.651 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)nc1 ZINC000453436908 1024514004 /nfs/dbraw/zinc/51/40/04/1024514004.db2.gz VAAGHCWTRCMLPH-YLJYHZDGSA-N 2 0 315.505 3.565 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(CC)C(C)C)[C@@H](C)C1 ZINC000453454328 1024521733 /nfs/dbraw/zinc/52/17/33/1024521733.db2.gz TWSSVWYSNOJDCX-OKYOBFRVSA-N 2 0 310.526 3.538 20 0 DHADRP c1cn(Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)cn1 ZINC000348236834 1024521991 /nfs/dbraw/zinc/52/19/91/1024521991.db2.gz BYKWHOVOVYUFEQ-SFTDATJTSA-N 2 0 317.436 3.825 20 0 DHADRP c1cc2c(cc[nH+]c2N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH]1 ZINC000663542136 1024532107 /nfs/dbraw/zinc/53/21/07/1024532107.db2.gz VWDYJRXGKKCRDL-MRXNPFEDSA-N 2 0 312.461 3.655 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000532192803 1024573196 /nfs/dbraw/zinc/57/31/96/1024573196.db2.gz QTNRAQLVRPFBKS-MDZRGWNJSA-N 2 0 318.480 3.956 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000532201226 1024574481 /nfs/dbraw/zinc/57/44/81/1024574481.db2.gz QITMLMPYCDHYIW-LMMKCTJWSA-N 2 0 300.490 3.817 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCCC1 ZINC000390895877 1024616633 /nfs/dbraw/zinc/61/66/33/1024616633.db2.gz PLFGIAIYWMBDCU-DNVCBOLYSA-N 2 0 311.473 3.867 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000283267266 1024617563 /nfs/dbraw/zinc/61/75/63/1024617563.db2.gz VKSZHNQHYGOCFE-SFHVURJKSA-N 2 0 315.461 3.545 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001167836794 1024622679 /nfs/dbraw/zinc/62/26/79/1024622679.db2.gz HIZHLZSMKZMUFS-AABGKKOBSA-N 3 0 323.569 3.836 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001167836797 1024622956 /nfs/dbraw/zinc/62/29/56/1024622956.db2.gz HIZHLZSMKZMUFS-UFYCRDLUSA-N 3 0 323.569 3.836 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC001167838486 1024623006 /nfs/dbraw/zinc/62/30/06/1024623006.db2.gz VMODRIYRDAZQLH-HNNXBMFYSA-N 2 0 303.450 3.770 20 0 DHADRP COCCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000282037795 1024629344 /nfs/dbraw/zinc/62/93/44/1024629344.db2.gz ULKCJOHHJKLRQP-LPHOPBHVSA-N 2 0 322.468 3.615 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCC(=O)c1cccs1 ZINC001167842424 1024675241 /nfs/dbraw/zinc/67/52/41/1024675241.db2.gz XCWDUCGTSYAROV-HNNXBMFYSA-N 2 0 310.507 3.763 20 0 DHADRP CSc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000349128744 1024678930 /nfs/dbraw/zinc/67/89/30/1024678930.db2.gz KULQUEXLHWRQKK-QGZVFWFLSA-N 2 0 304.503 3.572 20 0 DHADRP Cc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc2cccnc12 ZINC000349135218 1024678949 /nfs/dbraw/zinc/67/89/49/1024678949.db2.gz YBLQPCCZPSQNKE-HXUWFJFHSA-N 2 0 323.484 3.707 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC001170193760 1024689116 /nfs/dbraw/zinc/68/91/16/1024689116.db2.gz FZNSDOGCLZEUDA-PMACEKPBSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666100168 1024694994 /nfs/dbraw/zinc/69/49/94/1024694994.db2.gz NZCGZLOGDIXZRG-INIZCTEOSA-N 2 0 306.881 3.660 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001170195292 1024695867 /nfs/dbraw/zinc/69/58/67/1024695867.db2.gz SUGGQZOCYVOVQH-WOJBJXKFSA-N 2 0 300.490 3.915 20 0 DHADRP ClC1(Cl)C[C@@H]1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000877075742 1033230212 /nfs/dbraw/zinc/23/02/12/1033230212.db2.gz GKTDKOYOZNLORY-IYXRBSQSSA-N 2 0 305.293 3.567 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000666132826 1024716608 /nfs/dbraw/zinc/71/66/08/1024716608.db2.gz XDKBKIRLVDAWHV-MRXNPFEDSA-N 2 0 318.892 3.661 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCO[C@H](C)c2ccccc2)CC1 ZINC000102555503 1024730931 /nfs/dbraw/zinc/73/09/31/1024730931.db2.gz CVAMXDDFEJDLQS-QGZVFWFLSA-N 2 0 304.478 3.618 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000162841657 1024900912 /nfs/dbraw/zinc/90/09/12/1024900912.db2.gz KMUPFGKPIIVQSE-IJEWVQPXSA-N 2 0 310.507 3.597 20 0 DHADRP CCCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(=O)[nH]3)(C1)CCC2 ZINC001275120579 1024925523 /nfs/dbraw/zinc/92/55/23/1024925523.db2.gz JSXPYAWEYYVKOE-RBUKOAKNSA-N 2 0 317.477 3.502 20 0 DHADRP Cc1nc(C)c([C@@H](C)[N@H+](C)CCCCn2ccnc2C)s1 ZINC000162959292 1024942145 /nfs/dbraw/zinc/94/21/45/1024942145.db2.gz FQMIIWSIPDBBQC-CYBMUJFWSA-N 2 0 306.479 3.738 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001168187048 1025011287 /nfs/dbraw/zinc/01/12/87/1025011287.db2.gz DJMLUWBDJWNQOT-HNNXBMFYSA-N 2 0 306.881 3.689 20 0 DHADRP CCC1(C[NH2+][C@@H](C)[C@H](C)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000539042402 1033250390 /nfs/dbraw/zinc/25/03/90/1033250390.db2.gz GJLRODZSULOADN-ROUUACIJSA-N 2 0 318.505 3.692 20 0 DHADRP CO[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000663759296 1025040531 /nfs/dbraw/zinc/04/05/31/1025040531.db2.gz XYHHUJRBQFAIKI-FQEVSTJZSA-N 2 0 316.489 3.673 20 0 DHADRP c1ccc([C@@H]2CC[C@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001172559545 1033256401 /nfs/dbraw/zinc/25/64/01/1033256401.db2.gz ZGKURWMQKLZIRP-QUCCMNQESA-N 2 0 307.441 3.540 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000539055401 1033257069 /nfs/dbraw/zinc/25/70/69/1033257069.db2.gz TUYBRSVCYDVRQV-FVQBIDKESA-N 2 0 310.869 3.570 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000648496108 1025094539 /nfs/dbraw/zinc/09/45/39/1025094539.db2.gz OGKBVHNUQHNQRS-RTBURBONSA-N 2 0 304.478 3.574 20 0 DHADRP COCCCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000348327970 1025183252 /nfs/dbraw/zinc/18/32/52/1025183252.db2.gz UQQBKXHZCALVQA-RTBURBONSA-N 2 0 304.478 3.618 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279724960 1025184681 /nfs/dbraw/zinc/18/46/81/1025184681.db2.gz MSKFDWMXUUBKHK-APWZRJJASA-N 2 0 304.478 3.617 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c3cccnc23)C[C@@H]1C ZINC000353754222 1025236100 /nfs/dbraw/zinc/23/61/00/1025236100.db2.gz YZVLVDFWAFUIEM-GOEBONIOSA-N 2 0 315.436 3.679 20 0 DHADRP CCCNc1cc(C)[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170448173 1025269632 /nfs/dbraw/zinc/26/96/32/1025269632.db2.gz QYGOIHMBYPQJJR-UHFFFAOYSA-N 2 0 319.497 3.670 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000124355768 1025337082 /nfs/dbraw/zinc/33/70/82/1025337082.db2.gz YTLCTUKTUJAXJT-STQMWFEESA-N 2 0 312.379 3.840 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000124355360 1025337302 /nfs/dbraw/zinc/33/73/02/1025337302.db2.gz UXLUVRGVOUXACJ-JKSUJKDBSA-N 2 0 324.468 3.983 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC(C)(C)C2CCOCC2)CC1 ZINC000897441259 1025338261 /nfs/dbraw/zinc/33/82/61/1025338261.db2.gz BDHRDLRNAOAOGS-UHFFFAOYSA-N 2 0 310.526 3.539 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC000354168451 1025373626 /nfs/dbraw/zinc/37/36/26/1025373626.db2.gz XXHGRJLGWUYHGS-NRFANRHFSA-N 2 0 321.468 3.666 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000885922580 1025405291 /nfs/dbraw/zinc/40/52/91/1025405291.db2.gz FIECEXIRNVYQPH-UXHICEINSA-N 2 0 318.505 3.964 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000885923907 1025406418 /nfs/dbraw/zinc/40/64/18/1025406418.db2.gz DSNPXOAEJNHWDR-CADBVGFASA-N 2 0 310.526 3.682 20 0 DHADRP C[N@H+](CCCn1ccnc1)C1c2ccccc2-c2ccccc21 ZINC000124243423 1025418395 /nfs/dbraw/zinc/41/83/95/1025418395.db2.gz FBNFZOUUKVXRNY-UHFFFAOYSA-N 2 0 303.409 3.975 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661325 1025421890 /nfs/dbraw/zinc/42/18/90/1025421890.db2.gz ZZWMIUIRKAYQMN-RDTXWAMCSA-N 2 0 324.415 3.767 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCC1 ZINC000886062481 1025461157 /nfs/dbraw/zinc/46/11/57/1025461157.db2.gz PXTNUKVLXLARLN-MSOLQXFVSA-N 2 0 308.510 3.722 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000354588054 1025462534 /nfs/dbraw/zinc/46/25/34/1025462534.db2.gz UYVSNMYTQLVQPZ-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000539204051 1033294163 /nfs/dbraw/zinc/29/41/63/1033294163.db2.gz YOWLCGAKMQIOSO-DNVCBOLYSA-N 2 0 304.453 3.988 20 0 DHADRP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1CCC2 ZINC000355217282 1025643587 /nfs/dbraw/zinc/64/35/87/1025643587.db2.gz GGEZVLYDFLCPBQ-FPOVZHCZSA-N 2 0 310.485 3.624 20 0 DHADRP COCc1ccccc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886496719 1025654971 /nfs/dbraw/zinc/65/49/71/1025654971.db2.gz DXXVGWHZZSZICG-UHFFFAOYSA-N 2 0 316.489 3.720 20 0 DHADRP CCc1cnc(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886535432 1025683763 /nfs/dbraw/zinc/68/37/63/1025683763.db2.gz ZZZMWWBGJFBRHR-UHFFFAOYSA-N 2 0 321.534 3.635 20 0 DHADRP COC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000886548005 1025696544 /nfs/dbraw/zinc/69/65/44/1025696544.db2.gz WACZENLGUWNABZ-GPJFCIFZSA-N 2 0 316.489 3.761 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886559066 1025708208 /nfs/dbraw/zinc/70/82/08/1025708208.db2.gz ZGEXEPFZPNSHCW-NNVNDSJASA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886587548 1025723966 /nfs/dbraw/zinc/72/39/66/1025723966.db2.gz AXEYEAKZOMECHJ-YYZRRKBYSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1csc([C@@H](C)C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886587696 1025724922 /nfs/dbraw/zinc/72/49/22/1025724922.db2.gz CZRORPGBBJQAPX-NXVRBGIVSA-N 2 0 321.534 3.942 20 0 DHADRP C[C@@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO[C@H]1C1CC1 ZINC000886592399 1025725753 /nfs/dbraw/zinc/72/57/53/1025725753.db2.gz RUPFICJEZPOUBI-NUVZVAJJSA-N 2 0 320.521 3.578 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000886607222 1025734079 /nfs/dbraw/zinc/73/40/79/1025734079.db2.gz MTPBXBBWEIPNMD-JLAWEPINSA-N 2 0 320.521 3.722 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000132250870 1025735322 /nfs/dbraw/zinc/73/53/22/1025735322.db2.gz YRTYYKMOUKWAOW-OAHLLOKOSA-N 2 0 322.880 3.668 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886632643 1025749260 /nfs/dbraw/zinc/74/92/60/1025749260.db2.gz AFNKBLPMMCDUTK-WRSAYESZSA-N 2 0 315.436 3.614 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCCO1 ZINC000886635126 1025750088 /nfs/dbraw/zinc/75/00/88/1025750088.db2.gz WGILIAJNTKRISN-QGLXBCBXSA-N 2 0 308.510 3.721 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000886646653 1025757428 /nfs/dbraw/zinc/75/74/28/1025757428.db2.gz OYVDZYDMYFDWDF-ADEKHHIBSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886644494 1025758404 /nfs/dbraw/zinc/75/84/04/1025758404.db2.gz DTMKJGLCYGTUQB-BZOOQXSSSA-N 2 0 307.507 3.899 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCOC1 ZINC000886651541 1025764395 /nfs/dbraw/zinc/76/43/95/1025764395.db2.gz IYQQWABSJSNPRE-RRENTHDGSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806131742 1025775745 /nfs/dbraw/zinc/77/57/45/1025775745.db2.gz MHQYEPJKCPHQSR-ZBFHGGJFSA-N 2 0 321.896 3.967 20 0 DHADRP COC1(C[C@@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000759989614 1025812234 /nfs/dbraw/zinc/81/22/34/1025812234.db2.gz SUUQZFWPBZZRQG-QGZVFWFLSA-N 2 0 322.537 3.968 20 0 DHADRP CCOc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860104 1025818988 /nfs/dbraw/zinc/81/89/88/1025818988.db2.gz JBHBWWNWEPRBRT-VQIMIIECSA-N 2 0 314.473 3.534 20 0 DHADRP CC1(C)C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C(C)(C)O1 ZINC000355772377 1025835736 /nfs/dbraw/zinc/83/57/36/1025835736.db2.gz KAJOSFICXOUOBK-SFHVURJKSA-N 2 0 316.489 3.718 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000056522528 1025900022 /nfs/dbraw/zinc/90/00/22/1025900022.db2.gz HCDGIBNUKQYLGV-UHFFFAOYSA-N 2 0 313.445 3.505 20 0 DHADRP Cc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000462522986 1025942411 /nfs/dbraw/zinc/94/24/11/1025942411.db2.gz GPWOXIQGGAQZEW-AZUAARDMSA-N 2 0 323.484 3.780 20 0 DHADRP C[N@@H+](Cc1cscc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000356222191 1025987121 /nfs/dbraw/zinc/98/71/21/1025987121.db2.gz JNKKPWXZLCPBBU-UHFFFAOYSA-N 2 0 306.397 3.541 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195133003 1025989449 /nfs/dbraw/zinc/98/94/49/1025989449.db2.gz DOLWSYTZGIYOTR-HKUYNNGSSA-N 2 0 309.457 3.563 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195133023 1025990568 /nfs/dbraw/zinc/99/05/68/1025990568.db2.gz DOLWSYTZGIYOTR-PKOBYXMFSA-N 2 0 309.457 3.563 20 0 DHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000089214619 1026038322 /nfs/dbraw/zinc/03/83/22/1026038322.db2.gz ZJXGAUONXCSUAG-AWEZNQCLSA-N 2 0 301.459 3.710 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215693 1026038441 /nfs/dbraw/zinc/03/84/41/1026038441.db2.gz ZUMXSNRHJYELPO-FQEVSTJZSA-N 2 0 307.441 3.575 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccnc1 ZINC000090775327 1026087071 /nfs/dbraw/zinc/08/70/71/1026087071.db2.gz OKIVJNSEMTWPQS-IPJUCJBFSA-N 2 0 301.478 3.775 20 0 DHADRP C[C@@H]1C[C@H](N(C)Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000093645115 1026119184 /nfs/dbraw/zinc/11/91/84/1026119184.db2.gz KCWTVKWRKNVBQV-BXUZGUMPSA-N 2 0 318.358 3.759 20 0 DHADRP C[C@@H]1C[C@H](N(C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644305 1026119738 /nfs/dbraw/zinc/11/97/38/1026119738.db2.gz UBIQWMBIOBZLTQ-DGCLKSJQSA-N 2 0 318.358 3.759 20 0 DHADRP CSCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245766494 1026203931 /nfs/dbraw/zinc/20/39/31/1026203931.db2.gz WLCQRMMQPHMDRE-BCDXTJNWSA-N 2 0 304.503 3.525 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)CN(C)C(C)C)CC3 ZINC000576389604 1026276650 /nfs/dbraw/zinc/27/66/50/1026276650.db2.gz CCJJMBXPZATFDU-JKSUJKDBSA-N 2 0 313.489 3.652 20 0 DHADRP CCCCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)(C)C ZINC000808674895 1026354366 /nfs/dbraw/zinc/35/43/66/1026354366.db2.gz QBKHUTRJNBTJCG-KRWDZBQOSA-N 2 0 311.558 3.597 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000513667006 1026555085 /nfs/dbraw/zinc/55/50/85/1026555085.db2.gz PBOKMEKKEKJUKM-UFYCRDLUSA-N 2 0 324.468 3.681 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000513664962 1026559284 /nfs/dbraw/zinc/55/92/84/1026559284.db2.gz AGVHDETYZHROJN-YESZJQIVSA-N 2 0 300.471 3.864 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000513702907 1026707520 /nfs/dbraw/zinc/70/75/20/1026707520.db2.gz OKCUFQMJEKASAK-SQNIBIBYSA-N 2 0 306.881 3.735 20 0 DHADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420303591 1026800838 /nfs/dbraw/zinc/80/08/38/1026800838.db2.gz KTUNXUCQIPAGBH-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(C(F)(F)F)c1 ZINC000420302893 1026801629 /nfs/dbraw/zinc/80/16/29/1026801629.db2.gz JWQPGQBCXPKWJH-CYBMUJFWSA-N 2 0 300.368 3.527 20 0 DHADRP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420345484 1026804717 /nfs/dbraw/zinc/80/47/17/1026804717.db2.gz ZOEVFKZWKZFGGV-LPTQZCDUSA-N 2 0 324.468 3.729 20 0 DHADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330162 1026805434 /nfs/dbraw/zinc/80/54/34/1026805434.db2.gz PNJOPBFCKSOFHJ-YUELXQCFSA-N 2 0 310.844 3.862 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000420326274 1026806698 /nfs/dbraw/zinc/80/66/98/1026806698.db2.gz XCBREOVPSHPQDZ-PZJWPPBQSA-N 2 0 324.468 3.883 20 0 DHADRP C[N@@H+](Cc1ccc(Cl)cc1Cl)CC1CC[NH+](C)CC1 ZINC000513737279 1026919735 /nfs/dbraw/zinc/91/97/35/1026919735.db2.gz ZFQRMLRSFBENRZ-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CCCCC2)CC1 ZINC000237235562 1027016166 /nfs/dbraw/zinc/01/61/66/1027016166.db2.gz KXNOGRHDFOCCRR-UHFFFAOYSA-N 2 0 321.896 3.514 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000421822439 1027055840 /nfs/dbraw/zinc/05/58/40/1027055840.db2.gz XACISUISHGPREK-UHOFOFEASA-N 2 0 310.844 3.627 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421823970 1027056177 /nfs/dbraw/zinc/05/61/77/1027056177.db2.gz GEZLQRBYQWIEKL-ZIAGYGMSSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1Cl ZINC000421822404 1027057257 /nfs/dbraw/zinc/05/72/57/1027057257.db2.gz WTYIUCQOJJNOHA-CABCVRRESA-N 2 0 309.885 3.898 20 0 DHADRP COc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)c(F)c1 ZINC000421818902 1027064884 /nfs/dbraw/zinc/06/48/84/1027064884.db2.gz DCDNRJXIMTVBAT-QMTMVMCOSA-N 2 0 320.452 3.748 20 0 DHADRP COCCC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000421888081 1027079557 /nfs/dbraw/zinc/07/95/57/1027079557.db2.gz WMJFWJDDLJMMTN-CTWPCTMYSA-N 2 0 322.468 3.756 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CCc2nccc(N)c2C1 ZINC000931514619 1027150608 /nfs/dbraw/zinc/15/06/08/1027150608.db2.gz DAYLFTRVNLIWAB-AWEZNQCLSA-N 2 0 313.470 3.593 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170665517 1027190935 /nfs/dbraw/zinc/19/09/35/1027190935.db2.gz MHGIJZAUNQLKMZ-KRWDZBQOSA-N 2 0 322.443 3.532 20 0 DHADRP COCC1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000295339422 1027207885 /nfs/dbraw/zinc/20/78/85/1027207885.db2.gz BFQXTBTZXKVWIX-UHFFFAOYSA-N 2 0 318.505 3.822 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000362448653 1027212921 /nfs/dbraw/zinc/21/29/21/1027212921.db2.gz JBNCNBHQUFWUQW-QGZVFWFLSA-N 2 0 308.510 3.721 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000562089475 1027230573 /nfs/dbraw/zinc/23/05/73/1027230573.db2.gz ANUHEDXMGPCGRH-QWFCFKBJSA-N 2 0 323.569 3.740 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000562089473 1027231429 /nfs/dbraw/zinc/23/14/29/1027231429.db2.gz ANUHEDXMGPCGRH-NSHGMRRFSA-N 2 0 323.569 3.740 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000562102944 1027235104 /nfs/dbraw/zinc/23/51/04/1027235104.db2.gz ISZZHQCNAMUIFD-ZWKOTPCHSA-N 2 0 318.530 3.740 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000572989792 1027251478 /nfs/dbraw/zinc/25/14/78/1027251478.db2.gz MUBAIXJNIZOVSN-YGRLFVJLSA-N 2 0 321.877 3.902 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000573077872 1027258689 /nfs/dbraw/zinc/25/86/89/1027258689.db2.gz SGSOSYBATKMGNU-WSTZPKSXSA-N 2 0 318.505 3.863 20 0 DHADRP COCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)c1ccccc1 ZINC000573257522 1027274099 /nfs/dbraw/zinc/27/40/99/1027274099.db2.gz GNHYJVMIJAZKBT-KRWDZBQOSA-N 2 0 324.468 3.542 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000573404250 1027292948 /nfs/dbraw/zinc/29/29/48/1027292948.db2.gz WVDVEWJOEUBIDQ-SFHVURJKSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422703029 1027296174 /nfs/dbraw/zinc/29/61/74/1027296174.db2.gz GQDAWUGTUXMVHB-IPMKNSEASA-N 2 0 300.490 3.783 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000422709203 1027296199 /nfs/dbraw/zinc/29/61/99/1027296199.db2.gz DBMPYZGXQPPJNE-HGMXIMQMSA-N 2 0 310.894 3.984 20 0 DHADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422709209 1027296217 /nfs/dbraw/zinc/29/62/17/1027296217.db2.gz DCGYGTNJMFOMBJ-IPMKNSEASA-N 2 0 316.489 3.874 20 0 DHADRP Fc1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422704409 1027296248 /nfs/dbraw/zinc/29/62/48/1027296248.db2.gz PPMRYIDYBJRAKH-JGUMPVPUSA-N 2 0 324.443 3.982 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422707121 1027297313 /nfs/dbraw/zinc/29/73/13/1027297313.db2.gz VSQITINDBRXQPT-FGTMMUONSA-N 2 0 318.892 3.882 20 0 DHADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422709206 1027297848 /nfs/dbraw/zinc/29/78/48/1027297848.db2.gz DCGYGTNJMFOMBJ-CEXWTWQISA-N 2 0 316.489 3.874 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422717427 1027301495 /nfs/dbraw/zinc/30/14/95/1027301495.db2.gz OLZHRTKVXUIRGW-MOPGFXCFSA-N 3 0 309.542 3.543 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)cc2c1C ZINC000422715884 1027302487 /nfs/dbraw/zinc/30/24/87/1027302487.db2.gz JPJPLNOITLOAQB-CQSZACIVSA-N 2 0 322.456 3.798 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422714619 1027304048 /nfs/dbraw/zinc/30/40/48/1027304048.db2.gz REVUAEPBWRAXFS-HNAYVOBHSA-N 2 0 314.448 3.651 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCCCCC1 ZINC000422737611 1027305683 /nfs/dbraw/zinc/30/56/83/1027305683.db2.gz ZYHXQCIDESPMLR-IEBWSBKVSA-N 2 0 300.446 3.555 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422739190 1027307380 /nfs/dbraw/zinc/30/73/80/1027307380.db2.gz KRLJEGKRKSTNOR-GRGSLBFTSA-N 2 0 304.453 3.830 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422746591 1027311079 /nfs/dbraw/zinc/31/10/79/1027311079.db2.gz ZXZXHYORLIEOQV-SJORKVTESA-N 2 0 320.358 3.982 20 0 DHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422742852 1027311803 /nfs/dbraw/zinc/31/18/03/1027311803.db2.gz QUXDUFSUQRSYSL-UWGQAIRJSA-N 2 0 321.468 3.556 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422754312 1027314780 /nfs/dbraw/zinc/31/47/80/1027314780.db2.gz GVKAESATSHEBNH-LKUPVBHCSA-N 2 0 322.452 3.636 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2ccccc2n1 ZINC000422780073 1027316599 /nfs/dbraw/zinc/31/65/99/1027316599.db2.gz JSZFEYPSNMKKLU-QFBILLFUSA-N 2 0 311.473 3.678 20 0 DHADRP [NH3+][C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422780421 1027319261 /nfs/dbraw/zinc/31/92/61/1027319261.db2.gz HDCAHJVXWRASGT-RTWAWAEBSA-N 2 0 321.468 3.517 20 0 DHADRP c1ccc2nc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422777261 1027320168 /nfs/dbraw/zinc/32/01/68/1027320168.db2.gz FFSWUTQTVRYVEF-HMXCVIKNSA-N 2 0 323.484 3.678 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1OCC ZINC000422764590 1027322603 /nfs/dbraw/zinc/32/26/03/1027322603.db2.gz VGPVIKYNLUQFOV-UQPPLGOBSA-N 2 0 320.477 3.652 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422795210 1027323185 /nfs/dbraw/zinc/32/31/85/1027323185.db2.gz ZZKUESCOHIWFKO-HNAWSFBYSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422797936 1027327224 /nfs/dbraw/zinc/32/72/24/1027327224.db2.gz PDBOPTBQAMNHJZ-ZQNRLITLSA-N 2 0 322.443 3.969 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422806298 1027328733 /nfs/dbraw/zinc/32/87/33/1027328733.db2.gz HWMDZUHADKSWCR-KCPJHIHWSA-N 2 0 300.368 3.668 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)s1 ZINC000422808209 1027329099 /nfs/dbraw/zinc/32/90/99/1027329099.db2.gz NVHFTVPOFPMKMI-DGCLKSJQSA-N 2 0 303.475 3.939 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422810829 1027329164 /nfs/dbraw/zinc/32/91/64/1027329164.db2.gz NYLBKXKGXLLWNA-XPKDYRNWSA-N 2 0 314.395 3.916 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422810353 1027329630 /nfs/dbraw/zinc/32/96/30/1027329630.db2.gz RQBSBDZTZDEEBK-LMCOJAPRSA-N 2 0 316.489 3.583 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H](C)CCC[NH3+])s2)cc1 ZINC000422830179 1027334569 /nfs/dbraw/zinc/33/45/69/1027334569.db2.gz VIMYZOOACIHIIX-ZDUSSCGKSA-N 2 0 304.459 3.641 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s2)cc1 ZINC000422831192 1027335611 /nfs/dbraw/zinc/33/56/11/1027335611.db2.gz WLXOLESUVZSVJT-OLZOCXBDSA-N 2 0 304.459 3.639 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422859893 1027342074 /nfs/dbraw/zinc/34/20/74/1027342074.db2.gz LHSOWZDLRSYCCZ-KBAYOESNSA-N 2 0 320.452 3.625 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422867159 1027343140 /nfs/dbraw/zinc/34/31/40/1027343140.db2.gz RRHAQUPGMXPLBI-KRWDZBQOSA-N 2 0 312.457 3.620 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c(C)c2c1 ZINC000422858188 1027344565 /nfs/dbraw/zinc/34/45/65/1027344565.db2.gz HZIXJOJKHLUGCY-JSGCOSHPSA-N 2 0 304.434 3.918 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422885684 1027349892 /nfs/dbraw/zinc/34/98/92/1027349892.db2.gz UXTMMQCOJPJRHL-ROUUACIJSA-N 3 0 317.521 3.668 20 0 DHADRP c1[nH]c2ccccc2c1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422884161 1027350093 /nfs/dbraw/zinc/35/00/93/1027350093.db2.gz DLWXJLPWZPXVQU-DFQSSKMNSA-N 2 0 311.473 3.611 20 0 DHADRP CC(C)c1ccc(C2(C[NH2+][C@@H](C)C3C[NH2+]C3)CCCC2)cc1 ZINC000422886234 1027350338 /nfs/dbraw/zinc/35/03/38/1027350338.db2.gz IKHKAFUDLJSGQQ-INIZCTEOSA-N 2 0 300.490 3.819 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@H](C)c1cnccc1N ZINC000422903753 1027355082 /nfs/dbraw/zinc/35/50/82/1027355082.db2.gz WKPIZMGFGBFJDD-CYBMUJFWSA-N 2 0 319.836 3.576 20 0 DHADRP Fc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422905724 1027357984 /nfs/dbraw/zinc/35/79/84/1027357984.db2.gz IVOYXUQABYWTEX-IPMKNSEASA-N 2 0 304.453 3.659 20 0 DHADRP C1C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000422922953 1027361722 /nfs/dbraw/zinc/36/17/22/1027361722.db2.gz UUKRZCBFAOIIEM-IPMKNSEASA-N 2 0 320.521 3.626 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000422896250 1027362268 /nfs/dbraw/zinc/36/22/68/1027362268.db2.gz HXFNDKWMOVBVFW-DLBZAZTESA-N 2 0 310.457 3.647 20 0 DHADRP C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422926821 1027364936 /nfs/dbraw/zinc/36/49/36/1027364936.db2.gz XOVMJIBDSOTDIN-JTDSTZFVSA-N 2 0 301.478 3.613 20 0 DHADRP COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422943140 1027369377 /nfs/dbraw/zinc/36/93/77/1027369377.db2.gz KFDSVMQXAUDSBZ-ARFHVFGLSA-N 2 0 322.518 3.544 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422940378 1027369912 /nfs/dbraw/zinc/36/99/12/1027369912.db2.gz SSIJBHZAPAZTFS-PMACEKPBSA-N 2 0 324.468 3.982 20 0 DHADRP COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422943143 1027370045 /nfs/dbraw/zinc/37/00/45/1027370045.db2.gz KFDSVMQXAUDSBZ-JYJNAYRXSA-N 2 0 322.518 3.544 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000422945782 1027375536 /nfs/dbraw/zinc/37/55/36/1027375536.db2.gz NWIOZYOWOCVTNE-WBVHZDCISA-N 2 0 320.477 3.667 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)CCC[NH3+])c2ccc(F)cc2)cc1 ZINC000422945664 1027376151 /nfs/dbraw/zinc/37/61/51/1027376151.db2.gz NPLMMVADRCIRQJ-IFXJQAMLSA-N 2 0 316.420 3.641 20 0 DHADRP FC(F)(F)c1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000422955139 1027378767 /nfs/dbraw/zinc/37/87/67/1027378767.db2.gz IRZFBWSERGBXRU-XYPWUTKMSA-N 2 0 324.390 3.957 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000422959287 1027379562 /nfs/dbraw/zinc/37/95/62/1027379562.db2.gz RJFPWFOTCHGUKB-ZIAGYGMSSA-N 2 0 303.475 3.978 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000422950938 1027379667 /nfs/dbraw/zinc/37/96/67/1027379667.db2.gz XDWVYBLFZAQPCA-ODIFPOPNSA-N 2 0 320.477 3.795 20 0 DHADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422992715 1027383093 /nfs/dbraw/zinc/38/30/93/1027383093.db2.gz DGPFDSACJFFWEE-BXNZUYAZSA-N 2 0 302.462 3.545 20 0 DHADRP Cc1cc(C)c(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000422999060 1027385819 /nfs/dbraw/zinc/38/58/19/1027385819.db2.gz DPFCRKCASQSVBB-MRXNPFEDSA-N 2 0 311.473 3.667 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000423000453 1027386988 /nfs/dbraw/zinc/38/69/88/1027386988.db2.gz ZGQABPQXANXDKX-BTHPGYMESA-N 2 0 316.489 3.665 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423018242 1027389823 /nfs/dbraw/zinc/38/98/23/1027389823.db2.gz QMAVOIABMMFODS-YCRPNKLZSA-N 2 0 323.484 3.794 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000423021330 1027393904 /nfs/dbraw/zinc/39/39/04/1027393904.db2.gz DYUVMFHERRRBAS-PEYYIBSZSA-N 2 0 312.379 3.539 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423046584 1027394205 /nfs/dbraw/zinc/39/42/05/1027394205.db2.gz UCPAMQGEPURTAQ-CXQPBAHBSA-N 2 0 322.537 3.871 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000423046586 1027394463 /nfs/dbraw/zinc/39/44/63/1027394463.db2.gz UCPAMQGEPURTAQ-IVDHNXQLSA-N 2 0 322.537 3.871 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1)C1C[NH2+]C1 ZINC000423020256 1027394753 /nfs/dbraw/zinc/39/47/53/1027394753.db2.gz ZLNSZZXGGVOJHW-ZDUSSCGKSA-N 2 0 316.445 3.674 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423025031 1027398520 /nfs/dbraw/zinc/39/85/20/1027398520.db2.gz NFWAYZJXNYFARW-RISCZKNCSA-N 2 0 306.347 3.926 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccccc2)c(C)c1 ZINC000423061033 1027402421 /nfs/dbraw/zinc/40/24/21/1027402421.db2.gz JSLORLYVQHPIQU-IBGZPJMESA-N 2 0 312.457 3.506 20 0 DHADRP COCCC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423065244 1027402594 /nfs/dbraw/zinc/40/25/94/1027402594.db2.gz SYQMDCOMYQAWEX-ROUUACIJSA-N 2 0 302.462 3.708 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423056221 1027403893 /nfs/dbraw/zinc/40/38/93/1027403893.db2.gz XRQFAXWVVDAORL-BTHPGYMESA-N 2 0 316.489 3.807 20 0 DHADRP COCCC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCCCC1 ZINC000423058167 1027404748 /nfs/dbraw/zinc/40/47/48/1027404748.db2.gz BLQZJWRUQSMDPR-IEBWSBKVSA-N 2 0 318.505 3.522 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cn(C)c2c1 ZINC000423064241 1027404919 /nfs/dbraw/zinc/40/49/19/1027404919.db2.gz YOTOTVJUTAEXBO-VQTJNVASSA-N 2 0 319.452 3.764 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423050287 1027407815 /nfs/dbraw/zinc/40/78/15/1027407815.db2.gz YWBRCOFLYDSFJT-UHOSZYNNSA-N 2 0 302.437 3.869 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423052135 1027408155 /nfs/dbraw/zinc/40/81/55/1027408155.db2.gz PUSGZPDABUUPID-ROUUACIJSA-N 2 0 310.485 3.803 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000423079246 1027410418 /nfs/dbraw/zinc/41/04/18/1027410418.db2.gz XVCVQDRUOUEDHI-XKGZKEIXSA-N 2 0 312.457 3.555 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000423076873 1027411878 /nfs/dbraw/zinc/41/18/78/1027411878.db2.gz SADBJPKKFHJHJD-MTHXSQLBSA-N 2 0 322.537 3.586 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098639 1027413754 /nfs/dbraw/zinc/41/37/54/1027413754.db2.gz DAOHEEIWSPHFLV-HOTGVXAUSA-N 2 0 305.853 3.544 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099260 1027414212 /nfs/dbraw/zinc/41/42/12/1027414212.db2.gz LVAQDHAMANATJA-CXMPNGEBSA-N 2 0 310.844 3.975 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423092050 1027414823 /nfs/dbraw/zinc/41/48/23/1027414823.db2.gz AHCIVSBRTQWEDK-NLRBGTRBSA-N 2 0 300.368 3.667 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423093737 1027415124 /nfs/dbraw/zinc/41/51/24/1027415124.db2.gz AFZMDSFYVWDMMF-JXFSHQFZSA-N 2 0 313.272 3.956 20 0 DHADRP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423117953 1027417674 /nfs/dbraw/zinc/41/76/74/1027417674.db2.gz XXCZVQXNZKUGNG-GXTWGEPZSA-N 2 0 315.486 3.982 20 0 DHADRP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423115789 1027417988 /nfs/dbraw/zinc/41/79/88/1027417988.db2.gz YSCAIEXTMBQHRR-MISYRCLQSA-N 2 0 311.473 3.877 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC(c2ccccc2)C1 ZINC000423115831 1027418454 /nfs/dbraw/zinc/41/84/54/1027418454.db2.gz OJSOWAFWNXWBMO-RWCFQUGRSA-N 2 0 308.469 3.728 20 0 DHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423103089 1027418676 /nfs/dbraw/zinc/41/86/76/1027418676.db2.gz XNFHGXMKLRBDCR-XFUTXVRSSA-N 2 0 302.437 3.582 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423126634 1027422226 /nfs/dbraw/zinc/42/22/26/1027422226.db2.gz SBFMFYDZNNZIBY-FTRWYGJKSA-N 2 0 312.457 3.694 20 0 DHADRP FC1(F)CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423109065 1027427046 /nfs/dbraw/zinc/42/70/46/1027427046.db2.gz GRJKYASACIUUQY-ARFHVFGLSA-N 2 0 300.437 3.712 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423145787 1027427646 /nfs/dbraw/zinc/42/76/46/1027427646.db2.gz MLIBNLNEJXIVPY-LRQRDZAKSA-N 2 0 308.469 3.655 20 0 DHADRP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCCCC1)C1C[NH2+]C1 ZINC000423147007 1027429404 /nfs/dbraw/zinc/42/94/04/1027429404.db2.gz BQMWSNFUVRGBGG-CQSZACIVSA-N 2 0 306.881 3.739 20 0 DHADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423152824 1027430463 /nfs/dbraw/zinc/43/04/63/1027430463.db2.gz MNLWDLRLGIETEB-NZSAHSFTSA-N 2 0 304.453 3.577 20 0 DHADRP COCC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423153343 1027431829 /nfs/dbraw/zinc/43/18/29/1027431829.db2.gz NEKJZHRBBNLWPS-WFASDCNBSA-N 2 0 318.383 3.500 20 0 DHADRP COCC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423153341 1027432281 /nfs/dbraw/zinc/43/22/81/1027432281.db2.gz NEKJZHRBBNLWPS-IUODEOHRSA-N 2 0 318.383 3.500 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155973 1027432516 /nfs/dbraw/zinc/43/25/16/1027432516.db2.gz KIDQCYXINBDBQA-QRFRQXIXSA-N 2 0 314.473 3.967 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423135986 1027434546 /nfs/dbraw/zinc/43/45/46/1027434546.db2.gz OULGYLUUBJRHNL-FIRPJDEBSA-N 2 0 308.469 3.728 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc2ccccc2s1 ZINC000423136507 1027434661 /nfs/dbraw/zinc/43/46/61/1027434661.db2.gz PHCPQLCZHWRYMK-HNAYVOBHSA-N 2 0 324.493 3.992 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC000423137041 1027435304 /nfs/dbraw/zinc/43/53/04/1027435304.db2.gz VYMLCVZOJJBXGH-IBGZPJMESA-N 2 0 304.478 3.578 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423182349 1027441425 /nfs/dbraw/zinc/44/14/25/1027441425.db2.gz LPLBSECRKXTXFP-SIUPPRGNSA-N 2 0 306.881 3.954 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423182351 1027446373 /nfs/dbraw/zinc/44/63/73/1027446373.db2.gz LPLBSECRKXTXFP-UWIFEVILSA-N 2 0 306.881 3.954 20 0 DHADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423188759 1027448398 /nfs/dbraw/zinc/44/83/98/1027448398.db2.gz QGXIJKJDBQUHBA-NSHDSACASA-N 2 0 318.408 3.744 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423198052 1027452404 /nfs/dbraw/zinc/45/24/04/1027452404.db2.gz CRIAHDCDYSIIOR-DZGCQCFKSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423206518 1027456848 /nfs/dbraw/zinc/45/68/48/1027456848.db2.gz FYYDTUSFTCHICS-MJGOQNOKSA-N 2 0 324.468 3.916 20 0 DHADRP C[C@H]([NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)[C@@H]1CCC[NH2+]C1 ZINC000423218600 1027461576 /nfs/dbraw/zinc/46/15/76/1027461576.db2.gz SAMJBPDFZIOZMH-USBNGQNGSA-N 2 0 313.272 3.958 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423225398 1027465909 /nfs/dbraw/zinc/46/59/09/1027465909.db2.gz MPIGGTMJXQUCFS-FZMZJTMJSA-N 2 0 319.449 3.654 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423255715 1027479309 /nfs/dbraw/zinc/47/93/09/1027479309.db2.gz ANZGPHIKQNXZKX-JKSUJKDBSA-N 2 0 312.457 3.868 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423268774 1027490006 /nfs/dbraw/zinc/49/00/06/1027490006.db2.gz GKPBMTSMSLVZML-NEPJUHHUSA-N 2 0 321.465 3.764 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423272363 1027490120 /nfs/dbraw/zinc/49/01/20/1027490120.db2.gz HXDZKHOETWAGCI-QGZVFWFLSA-N 2 0 303.494 3.695 20 0 DHADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423271342 1027490189 /nfs/dbraw/zinc/49/01/89/1027490189.db2.gz IYMAZMHOMILYEA-YOEHRIQHSA-N 2 0 301.478 3.797 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423314658 1027496821 /nfs/dbraw/zinc/49/68/21/1027496821.db2.gz HLYHROHTIHAIRV-GJZGRUSLSA-N 2 0 300.368 3.729 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CC3(C)CC[NH2+]CC3)ccc2c1 ZINC000423317021 1027499481 /nfs/dbraw/zinc/49/94/81/1027499481.db2.gz BDLUDCHRCMWZFF-HNNXBMFYSA-N 2 0 312.457 3.889 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000423318137 1027499610 /nfs/dbraw/zinc/49/96/10/1027499610.db2.gz CDLFVEUYEHLOCS-SWLSCSKDSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423318488 1027499835 /nfs/dbraw/zinc/49/98/35/1027499835.db2.gz BUDHBDUXTHAJKI-GFCCVEGCSA-N 2 0 308.372 3.831 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCC1 ZINC000423322377 1027501165 /nfs/dbraw/zinc/50/11/65/1027501165.db2.gz IIJIWEJCQWGCNN-HUUCEWRRSA-N 2 0 312.379 3.813 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2CCc2ccc(F)cc2Cl)CC1 ZINC000575794064 1027503168 /nfs/dbraw/zinc/50/31/68/1027503168.db2.gz QZLXFKQOEUJPRF-UHFFFAOYSA-N 2 0 310.844 3.582 20 0 DHADRP CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1C[NH2+]C1 ZINC000423302451 1027503624 /nfs/dbraw/zinc/50/36/24/1027503624.db2.gz JNESKYRGFRUPIY-OAHLLOKOSA-N 2 0 315.288 3.760 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423347952 1027507696 /nfs/dbraw/zinc/50/76/96/1027507696.db2.gz RKTBLGTXPIVELV-IRXDYDNUSA-N 2 0 324.390 3.851 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423323228 1027507842 /nfs/dbraw/zinc/50/78/42/1027507842.db2.gz AEPUASQJOFRAEX-BBRMVZONSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423334713 1027512728 /nfs/dbraw/zinc/51/27/28/1027512728.db2.gz RCIODUBLWLCNHN-JXFKEZNVSA-N 2 0 309.457 3.789 20 0 DHADRP CC1(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423338809 1027513092 /nfs/dbraw/zinc/51/30/92/1027513092.db2.gz UYSQIHUDXONQEI-NVXWUHKLSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423334473 1027513356 /nfs/dbraw/zinc/51/33/56/1027513356.db2.gz WLTQPJMZDWMKLH-IAGOWNOFSA-N 2 0 300.471 3.667 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c2ccccc12 ZINC000423335356 1027515420 /nfs/dbraw/zinc/51/54/20/1027515420.db2.gz RRLBUVWWXIONOM-HNNXBMFYSA-N 2 0 312.457 3.889 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000423343683 1027518239 /nfs/dbraw/zinc/51/82/39/1027518239.db2.gz XBFIXJKNEQHLBR-MGPUTAFESA-N 2 0 312.457 3.889 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C[C@H]3C)cs2)cs1 ZINC000423362528 1027521186 /nfs/dbraw/zinc/52/11/86/1027521186.db2.gz BDCRVSNSMZYOIL-UHIISALHSA-N 2 0 321.515 3.829 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)c1 ZINC000423389243 1027530076 /nfs/dbraw/zinc/53/00/76/1027530076.db2.gz ODOIRLIMCYVKBI-SBHAEUEKSA-N 2 0 324.468 3.839 20 0 DHADRP COCC1(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)CC[NH2+]CC1 ZINC000423389872 1027530806 /nfs/dbraw/zinc/53/08/06/1027530806.db2.gz LYRHEEZODRFCCZ-QGZVFWFLSA-N 2 0 318.505 3.552 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000423395954 1027533177 /nfs/dbraw/zinc/53/31/77/1027533177.db2.gz TXDDGQXBUMKZFZ-GLQYFDAESA-N 2 0 311.267 3.630 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000423395952 1027534846 /nfs/dbraw/zinc/53/48/46/1027534846.db2.gz TXDDGQXBUMKZFZ-CQDKDKBSSA-N 2 0 311.267 3.630 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1Cl ZINC000423393104 1027535001 /nfs/dbraw/zinc/53/50/01/1027535001.db2.gz QJSYKLXZYPLQJQ-LLVKDONJSA-N 2 0 304.796 3.933 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423393113 1027535280 /nfs/dbraw/zinc/53/52/80/1027535280.db2.gz YKTMNRLMCJDCNU-PBEJRMEISA-N 2 0 324.468 3.709 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423396785 1027535476 /nfs/dbraw/zinc/53/54/76/1027535476.db2.gz SOJOXEBZEYBDMG-ZDUSSCGKSA-N 2 0 316.395 3.679 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423375747 1027535569 /nfs/dbraw/zinc/53/55/69/1027535569.db2.gz IUYKMYQWTYQTFR-LJQANCHMSA-N 2 0 308.425 3.602 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000423403111 1027537279 /nfs/dbraw/zinc/53/72/79/1027537279.db2.gz YEMHKBMVXJAZKD-HLIPFELVSA-N 2 0 308.469 3.937 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423409715 1027541907 /nfs/dbraw/zinc/54/19/07/1027541907.db2.gz ZBAIEBHTCYALDY-JGGQBBKZSA-N 2 0 312.910 3.798 20 0 DHADRP Cc1cc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)ccc1F ZINC000423445997 1027544368 /nfs/dbraw/zinc/54/43/68/1027544368.db2.gz SIFJOXXUNFWLRW-UHOSZYNNSA-N 2 0 302.437 3.563 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423451152 1027546782 /nfs/dbraw/zinc/54/67/82/1027546782.db2.gz XYIOBJUYGLXRGQ-TUKIKUTGSA-N 2 0 307.507 3.614 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423450071 1027547448 /nfs/dbraw/zinc/54/74/48/1027547448.db2.gz HCUVMSCVKRZHKK-XHDPSFHLSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423436074 1027549189 /nfs/dbraw/zinc/54/91/89/1027549189.db2.gz PHKJFCYWTCNVQQ-RYUDHWBXSA-N 2 0 304.356 3.753 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423437701 1027549778 /nfs/dbraw/zinc/54/97/78/1027549778.db2.gz MOMOAOIAJMZLKG-MDASCCDHSA-N 2 0 302.462 3.514 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423434862 1027550514 /nfs/dbraw/zinc/55/05/14/1027550514.db2.gz YJPJJLHQLQVSOP-BQFCYCMXSA-N 2 0 302.462 3.563 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)oc21 ZINC000423463931 1027555500 /nfs/dbraw/zinc/55/55/00/1027555500.db2.gz GBPFZGJVMHVBFW-YDHLFZDLSA-N 2 0 302.418 3.610 20 0 DHADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423463939 1027555638 /nfs/dbraw/zinc/55/56/38/1027555638.db2.gz GBXZBNCVLLHRTP-MSJBJCGKSA-N 2 0 316.464 3.687 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423469577 1027557835 /nfs/dbraw/zinc/55/78/35/1027557835.db2.gz CPCAJOFZNYDQOO-KSSFIOAISA-N 2 0 302.462 3.539 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423471412 1027558150 /nfs/dbraw/zinc/55/81/50/1027558150.db2.gz FECPEKHWPWUDJK-WFASDCNBSA-N 2 0 311.267 3.632 20 0 DHADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423471425 1027558751 /nfs/dbraw/zinc/55/87/51/1027558751.db2.gz FEZGVMXSQNASOG-HKUYNNGSSA-N 2 0 314.473 3.511 20 0 DHADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423478822 1027561414 /nfs/dbraw/zinc/56/14/14/1027561414.db2.gz LRAKZUPPVOWTDA-ZBFHGGJFSA-N 2 0 312.404 3.861 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423478746 1027561875 /nfs/dbraw/zinc/56/18/75/1027561875.db2.gz LGEZALWKVGFHGP-UKRRQHHQSA-N 2 0 310.869 3.922 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423479202 1027562007 /nfs/dbraw/zinc/56/20/07/1027562007.db2.gz LYZTUWLDLVNYJF-TZMCWYRMSA-N 2 0 316.367 3.768 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)oc21 ZINC000423481924 1027562961 /nfs/dbraw/zinc/56/29/61/1027562961.db2.gz XCKQGPTYZGYCRX-SQWLQELKSA-N 2 0 316.445 4.000 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000423498304 1027563054 /nfs/dbraw/zinc/56/30/54/1027563054.db2.gz HYPJPNOJYHSBOK-PBHICJAKSA-N 2 0 312.413 3.546 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000423498308 1027564413 /nfs/dbraw/zinc/56/44/13/1027564413.db2.gz HYPJPNOJYHSBOK-WMLDXEAASA-N 2 0 312.413 3.546 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000423482475 1027564688 /nfs/dbraw/zinc/56/46/88/1027564688.db2.gz PDDSSBINWZHWKW-STQMWFEESA-N 2 0 316.367 3.768 20 0 DHADRP CSCC1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423508510 1027566983 /nfs/dbraw/zinc/56/69/83/1027566983.db2.gz KNIOXISVQMAONH-VJFUWPCTSA-N 2 0 306.519 3.978 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423483794 1027570700 /nfs/dbraw/zinc/57/07/00/1027570700.db2.gz ZQLJQKHJRZXFCK-GLJUWKHASA-N 2 0 302.462 3.525 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000423489659 1027570748 /nfs/dbraw/zinc/57/07/48/1027570748.db2.gz WSDCSTUJDGGLCP-QGZVFWFLSA-N 3 0 323.569 3.787 20 0 DHADRP Clc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423489522 1027571552 /nfs/dbraw/zinc/57/15/52/1027571552.db2.gz GFFIVMNZKSOROU-ZWKOTPCHSA-N 2 0 322.880 3.539 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)[C@@H](C)C1 ZINC000576167519 1027573992 /nfs/dbraw/zinc/57/39/92/1027573992.db2.gz FYADEHLHUNGOLI-FCCDEINASA-N 2 0 310.526 3.538 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000423493470 1027574494 /nfs/dbraw/zinc/57/44/94/1027574494.db2.gz QCVZDPUQPSAEAZ-CQDKDKBSSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423532797 1027576541 /nfs/dbraw/zinc/57/65/41/1027576541.db2.gz VVVCGLCMBPLDGE-WFWUXJIDSA-N 2 0 318.427 3.851 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[NH2+]C3CC3)cs2)cs1 ZINC000423517248 1027577549 /nfs/dbraw/zinc/57/75/49/1027577549.db2.gz BLAINNHDBVLVSB-LLVKDONJSA-N 2 0 321.515 3.973 20 0 DHADRP Cc1nc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)[nH]c1C ZINC000576173055 1027577999 /nfs/dbraw/zinc/57/79/99/1027577999.db2.gz DWNRAQQSBWQVOO-UHFFFAOYSA-N 2 0 309.417 3.715 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000423523957 1027579664 /nfs/dbraw/zinc/57/96/64/1027579664.db2.gz JAJNCNOQSJKBEW-NHYWBVRUSA-N 2 0 323.278 3.729 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423536666 1027582787 /nfs/dbraw/zinc/58/27/87/1027582787.db2.gz IBWYNIPPJPECQE-INIZCTEOSA-N 2 0 302.462 3.826 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423537156 1027583693 /nfs/dbraw/zinc/58/36/93/1027583693.db2.gz BVVZBQBEBJCCKR-LEUOFYLZSA-N 2 0 302.462 3.514 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(OC)cc1 ZINC000423540640 1027583782 /nfs/dbraw/zinc/58/37/82/1027583782.db2.gz KEEARXSXQWDHIH-NTDBWNAOSA-N 2 0 302.462 3.514 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2ccncc2)cc1 ZINC000423542162 1027584421 /nfs/dbraw/zinc/58/44/21/1027584421.db2.gz LUUWEHQTABTMMI-LWILDLIXSA-N 2 0 321.468 3.787 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc2c(s1)CCCC2 ZINC000423540594 1027584689 /nfs/dbraw/zinc/58/46/89/1027584689.db2.gz JYRWNPKFAZMAIO-LCGIIJARSA-N 2 0 304.503 3.666 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423541563 1027584750 /nfs/dbraw/zinc/58/47/50/1027584750.db2.gz SECNRNKZZDDQSF-LJQANCHMSA-N 2 0 314.473 3.923 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539379 1027584776 /nfs/dbraw/zinc/58/47/76/1027584776.db2.gz IESPZPUSDOUQEV-ARFHVFGLSA-N 2 0 304.437 3.734 20 0 DHADRP Cc1cnccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000296511520 1027657111 /nfs/dbraw/zinc/65/71/11/1027657111.db2.gz RMNZXRJORYEVQT-QGZVFWFLSA-N 2 0 323.484 3.912 20 0 DHADRP C[NH+](C)Cc1ccc(CSCC[NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC001170710450 1027690537 /nfs/dbraw/zinc/69/05/37/1027690537.db2.gz DUZPDMXJHZNLGZ-FFGGFLGDSA-N 2 0 322.518 3.599 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000527514558 1027739872 /nfs/dbraw/zinc/73/98/72/1027739872.db2.gz RGFXEKCCGWGWJT-UHFFFAOYSA-N 2 0 304.384 3.976 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccnc(C)c2)CC1)CC1CC1 ZINC000527538240 1027760688 /nfs/dbraw/zinc/76/06/88/1027760688.db2.gz IMNVFLQSTJVBGE-UHFFFAOYSA-N 2 0 315.505 3.724 20 0 DHADRP Cc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000527537819 1027761405 /nfs/dbraw/zinc/76/14/05/1027761405.db2.gz GYSIBWOMAWHANX-IAGOWNOFSA-N 2 0 323.484 3.636 20 0 DHADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000577479826 1027779478 /nfs/dbraw/zinc/77/94/78/1027779478.db2.gz NEPXJCWYKQRXKI-GOSISDBHSA-N 2 0 316.489 3.638 20 0 DHADRP Cc1cc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)ccn1 ZINC000527694756 1027829320 /nfs/dbraw/zinc/82/93/20/1027829320.db2.gz KLPFBIPRUQXQNM-HXUWFJFHSA-N 2 0 309.457 3.534 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527692074 1027831066 /nfs/dbraw/zinc/83/10/66/1027831066.db2.gz PJEYNIDQHOHNNJ-YJBOKZPZSA-N 2 0 311.473 3.911 20 0 DHADRP CC1CCC(OC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000364527122 1027831465 /nfs/dbraw/zinc/83/14/65/1027831465.db2.gz KDELXVFWYDCZIN-ADKAHSJRSA-N 2 0 308.510 3.530 20 0 DHADRP CC1CCC(OC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000364527123 1027832891 /nfs/dbraw/zinc/83/28/91/1027832891.db2.gz KDELXVFWYDCZIN-LXPRWKDFSA-N 2 0 308.510 3.530 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000527806868 1027895655 /nfs/dbraw/zinc/89/56/55/1027895655.db2.gz FXPNOXHJDLRLQL-VNHYZAJKSA-N 2 0 304.400 3.714 20 0 DHADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000365619817 1027981431 /nfs/dbraw/zinc/98/14/31/1027981431.db2.gz BUTYJUIMHNFQDM-CYBMUJFWSA-N 2 0 318.490 3.554 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([N@H+](Cc3cccnc3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170738050 1027986814 /nfs/dbraw/zinc/98/68/14/1027986814.db2.gz JJQODXKBWIMRPR-YCEIQTCASA-N 2 0 313.489 3.588 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC([NH3+])(Cc4ccc(F)cc4)CC3)C[C@@H]21 ZINC001170738432 1028004318 /nfs/dbraw/zinc/00/43/18/1028004318.db2.gz LZEDNOCZICAXID-NNZMDNLPSA-N 2 0 316.464 3.596 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000365797494 1028007531 /nfs/dbraw/zinc/00/75/31/1028007531.db2.gz SKMRVFVZAKJMMG-WOJBJXKFSA-N 2 0 314.473 3.666 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000365797493 1028008158 /nfs/dbraw/zinc/00/81/58/1028008158.db2.gz SKMRVFVZAKJMMG-VQTJNVASSA-N 2 0 314.473 3.666 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cc2)cc1 ZINC000563351279 1028009358 /nfs/dbraw/zinc/00/93/58/1028009358.db2.gz YCQJDWUEGBWWIX-PXNSSMCTSA-N 2 0 324.468 3.886 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000366955112 1028113127 /nfs/dbraw/zinc/11/31/27/1028113127.db2.gz QFAMWOMSNONCDI-WIYYLYMNSA-N 2 0 323.484 3.953 20 0 DHADRP COCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000367035715 1028124905 /nfs/dbraw/zinc/12/49/05/1028124905.db2.gz KKUNEUBHWUZYKL-OTWHNJEPSA-N 2 0 320.452 3.510 20 0 DHADRP C(C1CCCC1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000367051413 1028126575 /nfs/dbraw/zinc/12/65/75/1028126575.db2.gz ZBZAARQMEJIPHX-LJQANCHMSA-N 2 0 320.521 3.580 20 0 DHADRP C(C1CCCC1)[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000367051412 1028127321 /nfs/dbraw/zinc/12/73/21/1028127321.db2.gz ZBZAARQMEJIPHX-IBGZPJMESA-N 2 0 320.521 3.580 20 0 DHADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367055831 1028127368 /nfs/dbraw/zinc/12/73/68/1028127368.db2.gz TYNXZQKKDFUKDN-NTFDOXNWSA-N 2 0 316.489 3.587 20 0 DHADRP c1cncc([C@H]2CCC[C@H]([NH2+]CCC[NH+]3CCCCC3)C2)c1 ZINC000367044737 1028127420 /nfs/dbraw/zinc/12/74/20/1028127420.db2.gz XRWVREPSSLGLRZ-HKUYNNGSSA-N 2 0 301.478 3.573 20 0 DHADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200139 1028147806 /nfs/dbraw/zinc/14/78/06/1028147806.db2.gz NKOQEYPCECUZEA-OAHLLOKOSA-N 2 0 319.493 3.841 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000563700137 1028171958 /nfs/dbraw/zinc/17/19/58/1028171958.db2.gz GACBISWZYDCVMT-KRWDZBQOSA-N 2 0 324.468 3.916 20 0 DHADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170760286 1028183860 /nfs/dbraw/zinc/18/38/60/1028183860.db2.gz HYHLWQIWRJMOTL-LWYYNNOASA-N 2 0 312.501 3.875 20 0 DHADRP CC(C)(C)OC1CC([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000779080013 1028190151 /nfs/dbraw/zinc/19/01/51/1028190151.db2.gz VXUWABWRSXVIJL-UHFFFAOYSA-N 2 0 308.510 3.719 20 0 DHADRP Cc1cc(F)ccc1C[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000367475390 1028191883 /nfs/dbraw/zinc/19/18/83/1028191883.db2.gz WJONBGHBOVPVPC-UHFFFAOYSA-N 2 0 313.420 3.630 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000578635945 1028201246 /nfs/dbraw/zinc/20/12/46/1028201246.db2.gz WOXNJHWQZJFYIY-GOSISDBHSA-N 2 0 322.880 3.527 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(-c2cncnc2)cc1 ZINC000367655981 1028222944 /nfs/dbraw/zinc/22/29/44/1028222944.db2.gz FFFCPCTVSWJOTC-OXQOHEQNSA-N 2 0 324.472 3.669 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cc(C)cc(C)c2)CC[NH+](C)CC1 ZINC000578822652 1028252136 /nfs/dbraw/zinc/25/21/36/1028252136.db2.gz QEDORUAWCMHLBF-MRXNPFEDSA-N 2 0 306.519 3.781 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000578882733 1028265031 /nfs/dbraw/zinc/26/50/31/1028265031.db2.gz PLUWXFURTXKPRW-JKSUJKDBSA-N 2 0 316.470 3.783 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C ZINC000367999086 1028273311 /nfs/dbraw/zinc/27/33/11/1028273311.db2.gz SHTFANAXFNJUEX-MJGOQNOKSA-N 2 0 324.553 3.928 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC(c2ccccn2)C1 ZINC000368019353 1028281217 /nfs/dbraw/zinc/28/12/17/1028281217.db2.gz LWGFWWMSXGYVLV-UHFFFAOYSA-N 2 0 323.484 3.959 20 0 DHADRP CSC1(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCC1 ZINC000578943797 1028282617 /nfs/dbraw/zinc/28/26/17/1028282617.db2.gz NLFIYMVPXYTARA-GOSISDBHSA-N 2 0 318.530 3.726 20 0 DHADRP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC000368213600 1028318491 /nfs/dbraw/zinc/31/84/91/1028318491.db2.gz BMPGPKYIZPDKRV-DZGCQCFKSA-N 2 0 310.532 3.616 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579096059 1028321297 /nfs/dbraw/zinc/32/12/97/1028321297.db2.gz OUWPPTNSQODSOY-LJQANCHMSA-N 2 0 302.506 3.943 20 0 DHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368260843 1028324697 /nfs/dbraw/zinc/32/46/97/1028324697.db2.gz NNPMURKBHQGMSH-LEWJYISDSA-N 2 0 321.468 3.786 20 0 DHADRP CC(C)N1CCc2nc(C[NH+]3CCCCCCC3)sc2C1 ZINC000368243791 1028325006 /nfs/dbraw/zinc/32/50/06/1028325006.db2.gz LZYZUMMHZKFCOL-UHFFFAOYSA-N 2 0 307.507 3.676 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[NH+]1CCCC1 ZINC000449073437 1028338591 /nfs/dbraw/zinc/33/85/91/1028338591.db2.gz NBNZINPNURHVMI-MSOLQXFVSA-N 2 0 308.510 3.578 20 0 DHADRP COCC1CCC([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000449081057 1028345653 /nfs/dbraw/zinc/34/56/53/1028345653.db2.gz BJVIZIDUZRPCFM-LPOKXYRGSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@@H](CC1CC1)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368401982 1028349273 /nfs/dbraw/zinc/34/92/73/1028349273.db2.gz IAHMJVKKOYXQAC-YJBOKZPZSA-N 2 0 314.473 3.753 20 0 DHADRP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[NH+](C)C ZINC000449107505 1028357958 /nfs/dbraw/zinc/35/79/58/1028357958.db2.gz QAGZONAMNMTYKB-GFCCVEGCSA-N 2 0 319.276 3.692 20 0 DHADRP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc2ccccc21 ZINC000449130034 1028385969 /nfs/dbraw/zinc/38/59/69/1028385969.db2.gz FMOWAGPJLKWVJN-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CC1(C)Cc2cc(C[NH2+]CCCCC[NH+]3CCCC3)ccc2O1 ZINC000815150703 1028404993 /nfs/dbraw/zinc/40/49/93/1028404993.db2.gz DPTJEAYFZKOMPL-UHFFFAOYSA-N 2 0 316.489 3.756 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000564440456 1028447954 /nfs/dbraw/zinc/44/79/54/1028447954.db2.gz HUSOOTVKPOAMHX-RDTXWAMCSA-N 2 0 312.461 3.841 20 0 DHADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449221048 1028462344 /nfs/dbraw/zinc/46/23/44/1028462344.db2.gz SBFWRAFXHBVENK-INIZCTEOSA-N 2 0 300.446 3.841 20 0 DHADRP C[C@@H]1[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC[N@@H+]1C ZINC000449232844 1028472097 /nfs/dbraw/zinc/47/20/97/1028472097.db2.gz JGPHDIVYDHBMAO-SJLPKXTDSA-N 2 0 323.569 3.738 20 0 DHADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000449232117 1028473246 /nfs/dbraw/zinc/47/32/46/1028473246.db2.gz HBCLPBUFQWNLLN-LPHOPBHVSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000369614676 1028510137 /nfs/dbraw/zinc/51/01/37/1028510137.db2.gz GXNSPKOULZEPQF-KWCYVHTRSA-N 2 0 312.910 3.825 20 0 DHADRP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc2ccccc21 ZINC000449330944 1028542942 /nfs/dbraw/zinc/54/29/42/1028542942.db2.gz MSKMHJAEBDUGIG-ICSRJNTNSA-N 2 0 324.468 3.765 20 0 DHADRP COc1cc(C[N@H+](C)CCCn2ccnc2C)cc2ccccc21 ZINC000449323694 1028551201 /nfs/dbraw/zinc/55/12/01/1028551201.db2.gz AONGZUUKTGRCRM-UHFFFAOYSA-N 2 0 323.440 3.875 20 0 DHADRP CCN(CCC[NH+](C)C)Cc1cnc(-c2ccccc2F)s1 ZINC000449323674 1028552674 /nfs/dbraw/zinc/55/26/74/1028552674.db2.gz AJXOMYXHSSVXKX-UHFFFAOYSA-N 2 0 321.465 3.723 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000815570826 1028567013 /nfs/dbraw/zinc/56/70/13/1028567013.db2.gz NDDWPTBJQNHPSO-LPHOPBHVSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]([NH2+]CCCC(C)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449352849 1028588200 /nfs/dbraw/zinc/58/82/00/1028588200.db2.gz YLJCEYDIZMKHQT-WBVHZDCISA-N 2 0 310.432 3.922 20 0 DHADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000389620529 1028596734 /nfs/dbraw/zinc/59/67/34/1028596734.db2.gz HVTSZVOPTMNHJS-RTBURBONSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCc1ccccc1C ZINC000449378406 1028598679 /nfs/dbraw/zinc/59/86/79/1028598679.db2.gz DQNYZTXUYCXXRR-UHFFFAOYSA-N 2 0 320.440 3.559 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000565549789 1028603849 /nfs/dbraw/zinc/60/38/49/1028603849.db2.gz SIIFDYLKWNMTIE-KGLIPLIRSA-N 2 0 321.877 3.823 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000565618035 1028611495 /nfs/dbraw/zinc/61/14/95/1028611495.db2.gz AFOAQHSJNGZTPW-VCBZYWHSSA-N 2 0 311.473 3.926 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449402076 1028621007 /nfs/dbraw/zinc/62/10/07/1028621007.db2.gz JOPGKTVWJKATIP-JFRXWTBNSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC(C)(C)CO)CC1 ZINC000449407183 1028623117 /nfs/dbraw/zinc/62/31/17/1028623117.db2.gz FXIBDGWVVWCRGR-UHFFFAOYSA-N 2 0 312.542 3.664 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000449433106 1028638340 /nfs/dbraw/zinc/63/83/40/1028638340.db2.gz KTMQTDZKVJINIS-ZFWWWQNUSA-N 2 0 306.416 3.960 20 0 DHADRP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000370724199 1028643740 /nfs/dbraw/zinc/64/37/40/1028643740.db2.gz XIWXCISOTSFEHT-LULLPPNCSA-N 2 0 303.494 3.879 20 0 DHADRP Cc1cc(Cl)cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000565880748 1028647916 /nfs/dbraw/zinc/64/79/16/1028647916.db2.gz WOSSJRHVJLULAB-HOTGVXAUSA-N 2 0 324.896 3.627 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228852 1028690781 /nfs/dbraw/zinc/69/07/81/1028690781.db2.gz BJQHGJCAAQFVAM-KBXCAEBGSA-N 2 0 304.503 3.717 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228854 1028691931 /nfs/dbraw/zinc/69/19/31/1028691931.db2.gz BJQHGJCAAQFVAM-KDOFPFPSSA-N 2 0 304.503 3.717 20 0 DHADRP Cc1cccnc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449489000 1028701913 /nfs/dbraw/zinc/70/19/13/1028701913.db2.gz NHORMIMHLNSRHQ-FXAWDEMLSA-N 2 0 315.505 3.565 20 0 DHADRP CO[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000449491881 1028702061 /nfs/dbraw/zinc/70/20/61/1028702061.db2.gz AYYQXDRJNSOUNE-HKUYNNGSSA-N 2 0 318.505 3.501 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000119143425 1028702119 /nfs/dbraw/zinc/70/21/19/1028702119.db2.gz QUUPBJZLQZXSIA-TYCQWZJGSA-N 2 0 321.468 3.569 20 0 DHADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000566351112 1028708196 /nfs/dbraw/zinc/70/81/96/1028708196.db2.gz LIPHFAWKXQMZRE-OAHLLOKOSA-N 2 0 320.481 3.588 20 0 DHADRP CCC[N@H+](C)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000566482751 1028732892 /nfs/dbraw/zinc/73/28/92/1028732892.db2.gz QCIRRUDMIWFIGV-OKZBNKHCSA-N 2 0 323.912 3.582 20 0 DHADRP C[NH2+]CCC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000566561235 1028743841 /nfs/dbraw/zinc/74/38/41/1028743841.db2.gz FCJAIIDYSKIFRV-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000566572656 1028747683 /nfs/dbraw/zinc/74/76/83/1028747683.db2.gz VBOOKEBYXSSWQZ-HUUCEWRRSA-N 2 0 308.416 3.636 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000372056858 1028801075 /nfs/dbraw/zinc/80/10/75/1028801075.db2.gz XWKDVSZGRJHCJM-JXFKEZNVSA-N 2 0 309.457 3.569 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000567000687 1028818997 /nfs/dbraw/zinc/81/89/97/1028818997.db2.gz MVNVSTOYYJJSAC-GOSISDBHSA-N 2 0 309.457 3.569 20 0 DHADRP C[N@H+](Cc1ccccc1Cl)C1CCN(c2cc[nH+]cc2)CC1 ZINC000372369638 1028846438 /nfs/dbraw/zinc/84/64/38/1028846438.db2.gz NGPBYGCBLJRUJP-UHFFFAOYSA-N 2 0 315.848 3.836 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000449628801 1028864236 /nfs/dbraw/zinc/86/42/36/1028864236.db2.gz SIOIKYJJDXUUHG-HZPDHXFCSA-N 2 0 322.518 3.821 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000449739665 1028960487 /nfs/dbraw/zinc/96/04/87/1028960487.db2.gz BRPJLWINJRBCQC-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H](CC[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000373203539 1028974917 /nfs/dbraw/zinc/97/49/17/1028974917.db2.gz GEOUJCXLWMNEQT-YYWHXJBOSA-N 2 0 323.484 3.858 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628316391 1028999303 /nfs/dbraw/zinc/99/93/03/1028999303.db2.gz SPNNIKHUOJBOGD-UHFFFAOYSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@@H]1C[C@H](n2cnc3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628371725 1029020999 /nfs/dbraw/zinc/02/09/99/1029020999.db2.gz ZRIRJUCBKKAMPN-SJLPKXTDSA-N 2 0 309.457 3.988 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000568775598 1029124371 /nfs/dbraw/zinc/12/43/71/1029124371.db2.gz OLXAOGLBYTYMIH-GMNCBBECSA-N 2 0 304.453 3.910 20 0 DHADRP CSC1(C[NH2+]C/C(C)=C/c2ccccc2)CC[NH+](C)CC1 ZINC000568806886 1029129555 /nfs/dbraw/zinc/12/95/55/1029129555.db2.gz LSRUAKZIKNNTAW-DTQAZKPQSA-N 2 0 304.503 3.507 20 0 DHADRP CSC1(C[NH2+]C/C(C)=C\c2ccccc2)CC[NH+](C)CC1 ZINC000568806893 1029130564 /nfs/dbraw/zinc/13/05/64/1029130564.db2.gz LSRUAKZIKNNTAW-SSZFMOIBSA-N 2 0 304.503 3.507 20 0 DHADRP Cn1cncc1CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000568881557 1029140259 /nfs/dbraw/zinc/14/02/59/1029140259.db2.gz WITQZDIJWDURQM-KRWDZBQOSA-N 2 0 303.837 3.843 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC1 ZINC000373868560 1029157283 /nfs/dbraw/zinc/15/72/83/1029157283.db2.gz SLIFFHGOOFATNG-RZDIXWSQSA-N 2 0 304.453 3.924 20 0 DHADRP COc1cc2c(N[C@H](C)C[N@H+](C)C(C)C)cc[nH+]c2cc1F ZINC000569058363 1029167737 /nfs/dbraw/zinc/16/77/37/1029167737.db2.gz ITOHQOIGJHHRLL-GFCCVEGCSA-N 2 0 305.397 3.523 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000569055303 1029168015 /nfs/dbraw/zinc/16/80/15/1029168015.db2.gz FDOKZJJSUYXXKC-QWFCFKBJSA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000411750813 1029200070 /nfs/dbraw/zinc/20/00/70/1029200070.db2.gz ZTOZQGZCKBATQL-HXUWFJFHSA-N 2 0 316.489 3.672 20 0 DHADRP COC[C@]1(C)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411774910 1029207371 /nfs/dbraw/zinc/20/73/71/1029207371.db2.gz QAFHWHBKGGJSNV-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCO2 ZINC000817586228 1029215218 /nfs/dbraw/zinc/21/52/18/1029215218.db2.gz MSUHHFMEBHRYMX-DAWZGUTISA-N 2 0 302.462 3.535 20 0 DHADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)C2)cc1 ZINC000817898112 1029270458 /nfs/dbraw/zinc/27/04/58/1029270458.db2.gz ZZBKHXKDHZPFQH-DQLDELGASA-N 2 0 321.468 3.698 20 0 DHADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)C2)cc1 ZINC000817898115 1029270520 /nfs/dbraw/zinc/27/05/20/1029270520.db2.gz ZZBKHXKDHZPFQH-ZLGUVYLKSA-N 2 0 321.468 3.698 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000817913105 1029275368 /nfs/dbraw/zinc/27/53/68/1029275368.db2.gz DQHMJOTVYQRRIR-VQTJNVASSA-N 2 0 315.505 3.767 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCCCOc1ccc(Cl)cc1 ZINC000817923866 1029276927 /nfs/dbraw/zinc/27/69/27/1029276927.db2.gz BJIRLNHNFDSBFS-SJORKVTESA-N 2 0 310.869 3.749 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926411 1029278461 /nfs/dbraw/zinc/27/84/61/1029278461.db2.gz IDJZEBPQYHGIQN-GXFFZTMASA-N 2 0 317.260 3.924 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000569891949 1029282892 /nfs/dbraw/zinc/28/28/92/1029282892.db2.gz HWVISKQKXADFNX-QWFCFKBJSA-N 2 0 323.569 3.740 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947682 1029285825 /nfs/dbraw/zinc/28/58/25/1029285825.db2.gz FOWKLQQFXPPOQY-CYBMUJFWSA-N 2 0 318.848 3.701 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817948739 1029291874 /nfs/dbraw/zinc/29/18/74/1029291874.db2.gz KWMZGYOIWZYBFW-INIZCTEOSA-N 2 0 312.457 3.826 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817953526 1029294700 /nfs/dbraw/zinc/29/47/00/1029294700.db2.gz NCETZTKWOJUOPR-SNVBAGLBSA-N 2 0 304.265 3.614 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949964 1029295197 /nfs/dbraw/zinc/29/51/97/1029295197.db2.gz VAABPGKWUHKCLS-ZDUSSCGKSA-N 2 0 317.502 3.927 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000817930890 1029305516 /nfs/dbraw/zinc/30/55/16/1029305516.db2.gz IARQDSGWBMGAAD-AHRSYUTCSA-N 2 0 312.457 3.568 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000570043337 1029306160 /nfs/dbraw/zinc/30/61/60/1029306160.db2.gz UVSFARUBISUIRX-OAHLLOKOSA-N 2 0 323.440 3.554 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000817971594 1029310041 /nfs/dbraw/zinc/31/00/41/1029310041.db2.gz OJKNAKRQHFJHAY-NQBHXWOUSA-N 2 0 300.418 3.792 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(SC(F)F)cc1 ZINC000817975770 1029313424 /nfs/dbraw/zinc/31/34/24/1029313424.db2.gz BIZJBRMUSZYCDN-BXUZGUMPSA-N 2 0 312.429 3.794 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817975753 1029315006 /nfs/dbraw/zinc/31/50/06/1029315006.db2.gz AYRBKPURBJLBKG-UWVGGRQHSA-N 2 0 304.265 3.744 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000817983912 1029319116 /nfs/dbraw/zinc/31/91/16/1029319116.db2.gz LKBLYHBPVSVJQD-XKMJEZSVSA-N 2 0 310.551 3.650 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817986600 1029324632 /nfs/dbraw/zinc/32/46/32/1029324632.db2.gz SDVJUXBOJNDPIG-SNVBAGLBSA-N 2 0 314.260 3.536 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629532039 1029361246 /nfs/dbraw/zinc/36/12/46/1029361246.db2.gz JHKHZFJENCNYJL-HKUYNNGSSA-N 2 0 315.505 3.725 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629543860 1029363183 /nfs/dbraw/zinc/36/31/83/1029363183.db2.gz CRAPCNDBOZEHBB-JKSUJKDBSA-N 2 0 323.843 3.753 20 0 DHADRP c1cc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000529535139 1029366833 /nfs/dbraw/zinc/36/68/33/1029366833.db2.gz FGSVLNPTNUKWBP-XLIONFOSSA-N 2 0 309.457 3.617 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000629565332 1029373041 /nfs/dbraw/zinc/37/30/41/1029373041.db2.gz VYXTUTCSNOONOR-GOEBONIOSA-N 2 0 314.395 3.571 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC(F)(F)C1 ZINC000529542028 1029384228 /nfs/dbraw/zinc/38/42/28/1029384228.db2.gz NZMHHCSILYCWKL-MJBXVCDLSA-N 2 0 300.437 3.663 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1OC ZINC000818358655 1029386228 /nfs/dbraw/zinc/38/62/28/1029386228.db2.gz FGFNWXIRDUPUHW-VYCZESIESA-N 2 0 316.489 3.986 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cc(F)cc2cccnc21 ZINC000302068002 1029390370 /nfs/dbraw/zinc/39/03/70/1029390370.db2.gz SAMYQCFONBQEOI-UHFFFAOYSA-N 2 0 323.415 3.725 20 0 DHADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629653353 1029406795 /nfs/dbraw/zinc/40/67/95/1029406795.db2.gz FFERJZYXFOCISD-MELADBBJSA-N 2 0 306.416 3.662 20 0 DHADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2ccccc2)cc1C(F)(F)F ZINC001170905738 1029418292 /nfs/dbraw/zinc/41/82/92/1029418292.db2.gz VLVLPZLHPMUQKL-MRXNPFEDSA-N 2 0 323.362 3.808 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623403286 1029422977 /nfs/dbraw/zinc/42/29/77/1029422977.db2.gz QLROZRODBWPOGH-UHFFFAOYSA-N 2 0 320.424 3.979 20 0 DHADRP C[NH2+][C@@H](CO)c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000629697316 1029425940 /nfs/dbraw/zinc/42/59/40/1029425940.db2.gz ZVTJDTYZJUZLCO-NRFANRHFSA-N 2 0 324.468 3.592 20 0 DHADRP CC[NH+](CC)CCOc1ccc(-c2cccc3c2C[NH2+]C3)cc1 ZINC000629705371 1029432193 /nfs/dbraw/zinc/43/21/93/1029432193.db2.gz KVABTVDOXYPLFN-UHFFFAOYSA-N 2 0 310.441 3.677 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000390775685 1029705653 /nfs/dbraw/zinc/70/56/53/1029705653.db2.gz MVIKKZJOOBIWIO-GOSISDBHSA-N 2 0 314.498 3.977 20 0 DHADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000450868831 1029715379 /nfs/dbraw/zinc/71/53/79/1029715379.db2.gz ABIGQELLUNPPOG-HOCLYGCPSA-N 2 0 309.523 3.640 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000530219321 1029781633 /nfs/dbraw/zinc/78/16/33/1029781633.db2.gz PECUWBJZKLJKNR-SOUVJXGZSA-N 2 0 302.453 3.958 20 0 DHADRP Fc1cccc2cc(C[NH2+]CCCCC[NH+]3CCCC3)cnc12 ZINC000865580175 1029924548 /nfs/dbraw/zinc/92/45/48/1029924548.db2.gz VCTMHISAVDJYAD-UHFFFAOYSA-N 2 0 315.436 3.730 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000122074256 1029945123 /nfs/dbraw/zinc/94/51/23/1029945123.db2.gz GAYSXUOGHJDESF-RYRKJORJSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCSC2)CCN1Cc1ccccc1 ZINC000865651759 1029959942 /nfs/dbraw/zinc/95/99/42/1029959942.db2.gz DLPRVSFFSXAHNG-NEWSRXKRSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCCC[NH3+] ZINC001246164208 1029963395 /nfs/dbraw/zinc/96/33/95/1029963395.db2.gz MQQDJBSYGJDHFQ-NSHDSACASA-N 2 0 304.812 3.658 20 0 DHADRP C[NH2+]C1CCC([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001246163629 1029964521 /nfs/dbraw/zinc/96/45/21/1029964521.db2.gz NZWZFWVRJGXIBE-UHFFFAOYSA-N 2 0 301.261 3.656 20 0 DHADRP C[NH+]1CCC(C[NH2+]C2CCC(F)(F)CC2)(c2ccccc2)CC1 ZINC000865774070 1030018175 /nfs/dbraw/zinc/01/81/75/1030018175.db2.gz DMJFMFBIYVRBSE-UHFFFAOYSA-N 2 0 322.443 3.818 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1(C)C ZINC000865833593 1030049856 /nfs/dbraw/zinc/04/98/56/1030049856.db2.gz JZHWGQFJUBQPNK-RTBURBONSA-N 2 0 315.505 3.645 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822606219 1030068642 /nfs/dbraw/zinc/06/86/42/1030068642.db2.gz KZYAQXPGPIXEIA-AWEZNQCLSA-N 2 0 307.309 3.623 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000924681031 1030158348 /nfs/dbraw/zinc/15/83/48/1030158348.db2.gz KNFOGVAFMDQABC-KRWDZBQOSA-N 2 0 321.896 3.824 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccnn1C1CCC1 ZINC000924686476 1030161174 /nfs/dbraw/zinc/16/11/74/1030161174.db2.gz LTRNYOKNLNKFTI-IRXDYDNUSA-N 2 0 318.509 3.913 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866212815 1030164412 /nfs/dbraw/zinc/16/44/12/1030164412.db2.gz WLUSPQVSRBZLBD-YXJHDRRASA-N 2 0 308.441 3.558 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000866232162 1030168019 /nfs/dbraw/zinc/16/80/19/1030168019.db2.gz BNEQCQSEJVPNSP-ZWKOTPCHSA-N 2 0 303.494 3.504 20 0 DHADRP C[C@@H](CCc1cncc2ccccc21)[NH2+]CCCCn1ccnc1 ZINC000866238512 1030173140 /nfs/dbraw/zinc/17/31/40/1030173140.db2.gz PIVOKCLYAZEQNM-KRWDZBQOSA-N 2 0 322.456 3.822 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000866239530 1030173471 /nfs/dbraw/zinc/17/34/71/1030173471.db2.gz XXRBSAFOJNZEHU-NSISKUIASA-N 2 0 323.484 3.772 20 0 DHADRP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000866239474 1030174288 /nfs/dbraw/zinc/17/42/88/1030174288.db2.gz XIPHHDSWEJVYNH-WCMCAJIFSA-N 2 0 302.437 3.666 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924955987 1030233580 /nfs/dbraw/zinc/23/35/80/1030233580.db2.gz WFZISXDMCLEEMA-HNNXBMFYSA-N 2 0 313.445 3.724 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000925008057 1030247543 /nfs/dbraw/zinc/24/75/43/1030247543.db2.gz BCSHDWKTIGFADG-HOTGVXAUSA-N 2 0 312.457 3.841 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866367705 1030260266 /nfs/dbraw/zinc/26/02/66/1030260266.db2.gz NGIDAAZMGJAXJD-MIJOPJBOSA-N 2 0 323.484 3.771 20 0 DHADRP CSC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925096117 1030272148 /nfs/dbraw/zinc/27/21/48/1030272148.db2.gz MZYKVHQTGXSGHQ-BPIHKTFHSA-N 2 0 318.530 3.913 20 0 DHADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144589 1030285202 /nfs/dbraw/zinc/28/52/02/1030285202.db2.gz VAQPZPUFMSXKBH-JFGNBEQYSA-N 2 0 306.397 3.900 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1(C)CC1 ZINC000358024561 1030286322 /nfs/dbraw/zinc/28/63/22/1030286322.db2.gz RBVVXFGNGRTAKB-BRWVUGGUSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCc3nccs3)CC2)C1 ZINC000358043905 1030298621 /nfs/dbraw/zinc/29/86/21/1030298621.db2.gz WZZGICRUGUCMRJ-WBVHZDCISA-N 2 0 321.534 3.708 20 0 DHADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925209234 1030303789 /nfs/dbraw/zinc/30/37/89/1030303789.db2.gz WQSHUWAUAYTTQG-APWZRJJASA-N 2 0 310.526 3.703 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000291059825 1030316387 /nfs/dbraw/zinc/31/63/87/1030316387.db2.gz ACMBEWSBMBJPHK-CYBMUJFWSA-N 2 0 321.465 3.942 20 0 DHADRP C[C@H](CC[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000291075121 1030328484 /nfs/dbraw/zinc/32/84/84/1030328484.db2.gz FUHWLQLEQRQAAT-GOSISDBHSA-N 2 0 315.505 3.510 20 0 DHADRP FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000823596395 1030335617 /nfs/dbraw/zinc/33/56/17/1030335617.db2.gz MVHMNWNSLBTTHZ-INIZCTEOSA-N 2 0 312.379 3.842 20 0 DHADRP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccnn1CC1CCC1 ZINC000925309140 1030341283 /nfs/dbraw/zinc/34/12/83/1030341283.db2.gz WGVNYZLLVUNNJV-HNNXBMFYSA-N 2 0 318.509 3.597 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171022187 1030344013 /nfs/dbraw/zinc/34/40/13/1030344013.db2.gz JMSTZXLMJMXPGU-KRWDZBQOSA-N 2 0 320.908 3.907 20 0 DHADRP Clc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001171021518 1030345423 /nfs/dbraw/zinc/34/54/23/1030345423.db2.gz FYWREGCWJTXRGO-QGZVFWFLSA-N 2 0 318.892 3.661 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925441886 1030364441 /nfs/dbraw/zinc/36/44/41/1030364441.db2.gz DNEOEEUUYIOODH-INIZCTEOSA-N 2 0 311.473 3.665 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c(F)c1 ZINC000925516726 1030385375 /nfs/dbraw/zinc/38/53/75/1030385375.db2.gz IRBMMSRZTVLJBP-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP CC(C)[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925537526 1030393310 /nfs/dbraw/zinc/39/33/10/1030393310.db2.gz LJUKCXKHXLBROY-UXHICEINSA-N 2 0 311.473 3.891 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000533512231 1030398419 /nfs/dbraw/zinc/39/84/19/1030398419.db2.gz YHAVFMUAUWSXTI-IBGZPJMESA-N 2 0 319.468 3.576 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000925565956 1030406935 /nfs/dbraw/zinc/40/69/35/1030406935.db2.gz ZAJGXZZLBWIDOW-BAYUOZKJSA-N 2 0 321.877 3.555 20 0 DHADRP CC[C@@H](C[C@H](C)O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000866634674 1030415475 /nfs/dbraw/zinc/41/54/75/1030415475.db2.gz SPXSYSIWDLTEKI-YUKKFIBKSA-N 2 0 318.505 3.569 20 0 DHADRP CCOCCC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000925598814 1030416536 /nfs/dbraw/zinc/41/65/36/1030416536.db2.gz MOTQLJUXXLTCQS-MRXNPFEDSA-N 2 0 304.478 3.606 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC000925640563 1030431741 /nfs/dbraw/zinc/43/17/41/1030431741.db2.gz SICQUNUJURFYBS-ACRUOGEOSA-N 2 0 324.468 3.977 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[C@@H]([NH3+])C1 ZINC000925648132 1030435018 /nfs/dbraw/zinc/43/50/18/1030435018.db2.gz PBDVCCAEVRGNJG-VSZNYVQBSA-N 2 0 320.452 3.541 20 0 DHADRP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925657002 1030443589 /nfs/dbraw/zinc/44/35/89/1030443589.db2.gz AHDXMBPYRFTXON-XUVXKRRUSA-N 2 0 316.489 3.522 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c2ccccc2O1 ZINC000925679907 1030451173 /nfs/dbraw/zinc/45/11/73/1030451173.db2.gz NHQUMKVAFCCPTL-ZWQIFLOQSA-N 2 0 314.473 3.657 20 0 DHADRP c1ccc2c(CC[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)ccnc2c1 ZINC000925705092 1030458868 /nfs/dbraw/zinc/45/88/68/1030458868.db2.gz JJKCJCDYADNYFF-CTNGQTDRSA-N 2 0 323.484 3.535 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1noc2cc(F)ccc12)c1ccccc1 ZINC000925730571 1030467828 /nfs/dbraw/zinc/46/78/28/1030467828.db2.gz WXZKKBLBVFLOQB-MRXNPFEDSA-N 2 0 313.376 3.537 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000925742920 1030473739 /nfs/dbraw/zinc/47/37/39/1030473739.db2.gz YUHMXCMFDRUVOF-GOEBONIOSA-N 2 0 308.441 3.578 20 0 DHADRP CC(C)C[C@@H](c1ccccc1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925749236 1030476874 /nfs/dbraw/zinc/47/68/74/1030476874.db2.gz WAXAUEYVAAFASB-INIZCTEOSA-N 2 0 315.486 3.747 20 0 DHADRP CC1(C)CC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925775883 1030492597 /nfs/dbraw/zinc/49/25/97/1030492597.db2.gz HXLMGMBVOVDSMP-CJNGLKHVSA-N 2 0 308.416 3.634 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2sccc21 ZINC000925777483 1030493267 /nfs/dbraw/zinc/49/32/67/1030493267.db2.gz PEKXBLGYNIRHGW-NQBHXWOUSA-N 2 0 300.418 3.521 20 0 DHADRP CCc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C(C)C)cc1 ZINC000925785418 1030495327 /nfs/dbraw/zinc/49/53/27/1030495327.db2.gz UKDUBKONMUDFSB-DLBZAZTESA-N 2 0 310.432 3.781 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc2c(s1)CCCC2 ZINC000925780368 1030495940 /nfs/dbraw/zinc/49/59/40/1030495940.db2.gz FDCKFSMJIDBISV-DGCLKSJQSA-N 2 0 314.445 3.522 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000558253813 1030499161 /nfs/dbraw/zinc/49/91/61/1030499161.db2.gz FZEKFRLHUYYUGF-MTHXSQLBSA-N 2 0 302.437 3.662 20 0 DHADRP CSC1CCC(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925800366 1030500277 /nfs/dbraw/zinc/50/02/77/1030500277.db2.gz GNZVIKQFUHZBAQ-VJFUWPCTSA-N 2 0 306.519 3.978 20 0 DHADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000925802883 1030503803 /nfs/dbraw/zinc/50/38/03/1030503803.db2.gz SMCQFSMLXAHUHA-MIEORUQNSA-N 2 0 308.535 3.561 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1cnc2ccccc2c1)c1ccccc1 ZINC000925829368 1030511640 /nfs/dbraw/zinc/51/16/40/1030511640.db2.gz BVKGQTRJEFFCNT-FQEVSTJZSA-N 2 0 319.452 3.847 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cnc3ccccc3c2)c2ccccc21 ZINC000925830190 1030511790 /nfs/dbraw/zinc/51/17/90/1030511790.db2.gz CKYSJHVTRFJLOT-ICSRJNTNSA-N 2 0 303.409 3.512 20 0 DHADRP FCCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291507802 1030526572 /nfs/dbraw/zinc/52/65/72/1030526572.db2.gz WTCRMCHMOWOXQW-UHFFFAOYSA-N 2 0 304.453 3.724 20 0 DHADRP CC[N@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CCN(C)CC1 ZINC001136860764 1030530805 /nfs/dbraw/zinc/53/08/05/1030530805.db2.gz BCLODNGXOLZAEH-UHFFFAOYSA-N 2 0 305.853 3.737 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000925881240 1030532825 /nfs/dbraw/zinc/53/28/25/1030532825.db2.gz GOKNUWOFCFMRGI-NJYVYQBISA-N 2 0 321.468 3.572 20 0 DHADRP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887587 1030537435 /nfs/dbraw/zinc/53/74/35/1030537435.db2.gz HKIODTKAJSJXJN-DZFGPLHGSA-N 2 0 308.469 3.575 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000925888559 1030537902 /nfs/dbraw/zinc/53/79/02/1030537902.db2.gz VPDPVHYRMWKJCT-NBHGPNQESA-N 2 0 324.468 3.795 20 0 DHADRP CCc1[nH+]c2ccccc2c(NC2CC[NH+](C3CC3)CC2)c1C ZINC000558392101 1030555969 /nfs/dbraw/zinc/55/59/69/1030555969.db2.gz OGUZBHFTYAPOOE-UHFFFAOYSA-N 2 0 309.457 3.566 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)CC[NH2+]C ZINC001246326550 1030556297 /nfs/dbraw/zinc/55/62/97/1030556297.db2.gz QBGWCAQKISHQHS-SMDDNHRTSA-N 2 0 303.277 3.902 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](CCCCOc3ccccc3)C2)CC1 ZINC000558417361 1030567309 /nfs/dbraw/zinc/56/73/09/1030567309.db2.gz ABFGKWWQSGAGIK-IBGZPJMESA-N 2 0 316.489 3.509 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000246871219 1030658015 /nfs/dbraw/zinc/65/80/15/1030658015.db2.gz DKUPDOFBPFSNAW-WMZOPIPTSA-N 2 0 314.473 3.754 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171071468 1030661414 /nfs/dbraw/zinc/66/14/14/1030661414.db2.gz CPTBGBGQUFOQEL-IHRRRGAJSA-N 2 0 313.272 3.710 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247055419 1030673367 /nfs/dbraw/zinc/67/33/67/1030673367.db2.gz PFUPVAQHNSHDBL-WMZOPIPTSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cnccn1 ZINC000247154111 1030679880 /nfs/dbraw/zinc/67/98/80/1030679880.db2.gz TVMOVESXSFVEIP-IAGOWNOFSA-N 2 0 324.472 3.702 20 0 DHADRP Cc1ccc2c(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)c[nH]c2c1 ZINC001136977084 1030696485 /nfs/dbraw/zinc/69/64/85/1030696485.db2.gz SIVRCDUOCHQSCX-UHFFFAOYSA-N 2 0 320.440 3.502 20 0 DHADRP C[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354193 1030706303 /nfs/dbraw/zinc/70/63/03/1030706303.db2.gz NTSQVLDLSZXKLN-YJBOKZPZSA-N 2 0 315.486 3.706 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc(C[NH+](C)C)c1 ZINC000926365220 1030712328 /nfs/dbraw/zinc/71/23/28/1030712328.db2.gz UCWAIOVUTCPSST-LPHOPBHVSA-N 2 0 316.489 3.748 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc(C[NH+](C)C)c1 ZINC000926365221 1030714248 /nfs/dbraw/zinc/71/42/48/1030714248.db2.gz UCWAIOVUTCPSST-QFBILLFUSA-N 2 0 316.489 3.748 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136984299 1030716698 /nfs/dbraw/zinc/71/66/98/1030716698.db2.gz HUOJKAOCKKWVDW-UHFFFAOYSA-N 2 0 317.452 3.859 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccco1 ZINC000926449340 1030746347 /nfs/dbraw/zinc/74/63/47/1030746347.db2.gz FDLRXZWIQVZDNC-APWZRJJASA-N 2 0 321.424 3.742 20 0 DHADRP COCC1(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000926482268 1030757352 /nfs/dbraw/zinc/75/73/52/1030757352.db2.gz KVDRDFLDLAJFKM-MRXNPFEDSA-N 2 0 304.478 3.606 20 0 DHADRP Clc1cccc2c1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)COC2 ZINC000926488146 1030759747 /nfs/dbraw/zinc/75/97/47/1030759747.db2.gz UXNZRWKPNSQXNY-KRWDZBQOSA-N 2 0 322.880 3.767 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnn(C2CCC2)c1 ZINC000926488039 1030762113 /nfs/dbraw/zinc/76/21/13/1030762113.db2.gz SKWPHTPLTDPRRE-MRXNPFEDSA-N 2 0 304.482 3.525 20 0 DHADRP C[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000926495932 1030765940 /nfs/dbraw/zinc/76/59/40/1030765940.db2.gz XVIWSQCCJFWUDM-MRXNPFEDSA-N 2 0 304.478 3.606 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926518091 1030778500 /nfs/dbraw/zinc/77/85/00/1030778500.db2.gz HLDURJKBIDLBBH-FUHWJXTLSA-N 2 0 316.489 3.748 20 0 DHADRP Cc1cncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248965077 1030782055 /nfs/dbraw/zinc/78/20/55/1030782055.db2.gz HBRJHMGRWHVKPR-WGMWDUQUSA-N 2 0 323.484 3.636 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccn2)c1 ZINC000926557741 1030798408 /nfs/dbraw/zinc/79/84/08/1030798408.db2.gz DQVXBNKVVZLURG-OAQYLSRUSA-N 2 0 323.484 3.943 20 0 DHADRP Cc1cccc([C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000926572102 1030801013 /nfs/dbraw/zinc/80/10/13/1030801013.db2.gz GAXOCHBRFOABER-NQIIRXRSSA-N 2 0 323.484 3.801 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000926572104 1030802598 /nfs/dbraw/zinc/80/25/98/1030802598.db2.gz GAXOCHBRFOABER-WIYYLYMNSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573578 1030805479 /nfs/dbraw/zinc/80/54/79/1030805479.db2.gz NTUNMFKHUSUWMO-HZPDHXFCSA-N 2 0 313.445 3.724 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292116430 1030820322 /nfs/dbraw/zinc/82/03/22/1030820322.db2.gz JREWPGPFRKQCSV-FUHWJXTLSA-N 2 0 304.503 3.585 20 0 DHADRP C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926602242 1030823151 /nfs/dbraw/zinc/82/31/51/1030823151.db2.gz WXVCGDNIECMIAT-QRWLVFNGSA-N 2 0 310.441 3.670 20 0 DHADRP CC[N@H+](CCC[NH2+]C1CC2(C1)CO[C@@H](C)C2)C1CCCCC1 ZINC000926646759 1030836520 /nfs/dbraw/zinc/83/65/20/1030836520.db2.gz ARTICWLBLDSRRM-MUYFXNHWSA-N 2 0 308.510 3.578 20 0 DHADRP COc1c(C)cccc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926663556 1030848558 /nfs/dbraw/zinc/84/85/58/1030848558.db2.gz MNFRFKHRHAHIPW-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc2ccccc21 ZINC000926666272 1030849375 /nfs/dbraw/zinc/84/93/75/1030849375.db2.gz RLTRUPWGVGTBEG-RKVPGOIHSA-N 2 0 312.457 3.839 20 0 DHADRP Cc1cnc(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000926665604 1030850826 /nfs/dbraw/zinc/85/08/26/1030850826.db2.gz IQJJDCJFDAKKPL-KRWDZBQOSA-N 2 0 311.473 3.653 20 0 DHADRP CC(C)(C)[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000926694991 1030866530 /nfs/dbraw/zinc/86/65/30/1030866530.db2.gz XJVXOQGNJIKCKW-IBGZPJMESA-N 2 0 315.505 3.708 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC2([C@H]3CCCCO3)CCC2)CC1 ZINC000926788980 1030928152 /nfs/dbraw/zinc/92/81/52/1030928152.db2.gz DLAMCAXUJBTQJK-LJQANCHMSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)([NH3+])c1ccccc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171101124 1030948747 /nfs/dbraw/zinc/94/87/47/1030948747.db2.gz XBQNUAOOBXFVPK-CQSZACIVSA-N 2 0 319.452 3.640 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171110260 1030990090 /nfs/dbraw/zinc/99/00/90/1030990090.db2.gz MGBNRLRZRQISSI-RCCFBDPRSA-N 2 0 306.881 3.660 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926949282 1031013881 /nfs/dbraw/zinc/01/38/81/1031013881.db2.gz MKQDPMCYPAASAG-UGQVUOCMSA-N 2 0 318.427 3.818 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000927036165 1031042646 /nfs/dbraw/zinc/04/26/46/1031042646.db2.gz FKMXXSHHYVHOAD-SWKXRBFHSA-N 2 0 319.880 3.719 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)cn1 ZINC000927037249 1031046410 /nfs/dbraw/zinc/04/64/10/1031046410.db2.gz INXNQWWVOIAUOK-CUYAVPTFSA-N 2 0 319.468 3.914 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)[C@H](C)C1 ZINC001171116477 1031052114 /nfs/dbraw/zinc/05/21/14/1031052114.db2.gz QJNDUZKPHPFMCV-MDASCCDHSA-N 2 0 320.908 3.906 20 0 DHADRP CCc1nc2c(s1)[C@H](NCCC[NH+]1CCC(C)CC1)CCC2 ZINC000359642453 1031076302 /nfs/dbraw/zinc/07/63/02/1031076302.db2.gz ZTZPPCMBELNYAB-OAHLLOKOSA-N 2 0 321.534 3.795 20 0 DHADRP C[NH2+]CCC1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000261977492 1031083584 /nfs/dbraw/zinc/08/35/84/1031083584.db2.gz GOBURVICZRJDIX-UHFFFAOYSA-N 2 0 312.910 3.754 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000262020341 1031089737 /nfs/dbraw/zinc/08/97/37/1031089737.db2.gz WCPTWNVQDWHCIC-HOCLYGCPSA-N 2 0 314.404 3.787 20 0 DHADRP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000262115746 1031097460 /nfs/dbraw/zinc/09/74/60/1031097460.db2.gz WWMOAHYCCXFCQE-SFHVURJKSA-N 2 0 316.445 3.740 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000360026134 1031244610 /nfs/dbraw/zinc/24/46/10/1031244610.db2.gz XMWDUTFCBPXPPS-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000360030295 1031246902 /nfs/dbraw/zinc/24/69/02/1031246902.db2.gz VOQMOXFZRJVKTM-YQVWRLOYSA-N 2 0 314.473 3.734 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171149568 1031311267 /nfs/dbraw/zinc/31/12/67/1031311267.db2.gz YNERTBBVXNPZHO-IHRRRGAJSA-N 2 0 313.272 3.710 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000360248551 1031346190 /nfs/dbraw/zinc/34/61/90/1031346190.db2.gz IMYVHGCBBUPCBV-MJGOQNOKSA-N 2 0 316.489 3.839 20 0 DHADRP CC(C)[NH2+]C1CCN(C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000293159669 1031355271 /nfs/dbraw/zinc/35/52/71/1031355271.db2.gz MVUVOFIATSYHLD-IBGZPJMESA-N 2 0 304.478 3.615 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000844925190 1031404295 /nfs/dbraw/zinc/40/42/95/1031404295.db2.gz RWYZSTHBHYCDJH-INIZCTEOSA-N 2 0 312.457 3.882 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000872021920 1031404985 /nfs/dbraw/zinc/40/49/85/1031404985.db2.gz GEUGPGMMCLSLFX-RDGPPVDQSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(O)c1F ZINC000872021902 1031405486 /nfs/dbraw/zinc/40/54/86/1031405486.db2.gz FVQZOSIRMUAFKG-CABCVRRESA-N 2 0 308.441 3.694 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872022785 1031406047 /nfs/dbraw/zinc/40/60/47/1031406047.db2.gz KYDAVUZAADMBDU-KZNAEPCWSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC000872027647 1031412348 /nfs/dbraw/zinc/41/23/48/1031412348.db2.gz FRWBHFAWFJPDES-RBUKOAKNSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872027078 1031412921 /nfs/dbraw/zinc/41/29/21/1031412921.db2.gz BUBMVQRNUCJPJE-ICSRJNTNSA-N 2 0 322.537 3.826 20 0 DHADRP C(C1CCCC1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872030024 1031414520 /nfs/dbraw/zinc/41/45/20/1031414520.db2.gz XTRTVKDGYIXMOG-LJQANCHMSA-N 2 0 320.521 3.722 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000872032885 1031416431 /nfs/dbraw/zinc/41/64/31/1031416431.db2.gz BIPLUWMTNWGQFB-RTBURBONSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2ccsc2)CCN1Cc1ccccc1 ZINC000379629199 1031419671 /nfs/dbraw/zinc/41/96/71/1031419671.db2.gz OJVYNPUPEJONDX-LPHOPBHVSA-N 2 0 314.498 3.933 20 0 DHADRP Fc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)s2)cc1 ZINC000666855187 1031420699 /nfs/dbraw/zinc/42/06/99/1031420699.db2.gz CSXZACBBZSNNIH-OAHLLOKOSA-N 2 0 304.434 3.786 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)(C)CC ZINC000872048093 1031435350 /nfs/dbraw/zinc/43/53/50/1031435350.db2.gz GWNKRNONYVLZAC-KURKYZTESA-N 2 0 310.526 3.559 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)(C)CC ZINC000872048095 1031436121 /nfs/dbraw/zinc/43/61/21/1031436121.db2.gz GWNKRNONYVLZAC-SQNIBIBYSA-N 2 0 310.526 3.559 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(OC)c1 ZINC000360497008 1031449053 /nfs/dbraw/zinc/44/90/53/1031449053.db2.gz XERXQQGJQDPVLI-LJQANCHMSA-N 2 0 302.462 3.753 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872059474 1031451611 /nfs/dbraw/zinc/45/16/11/1031451611.db2.gz FRKCRSIKMDWRQL-FAJBIJEISA-N 2 0 322.537 3.823 20 0 DHADRP C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872059325 1031452457 /nfs/dbraw/zinc/45/24/57/1031452457.db2.gz DPZBYPRXNIKMTC-KSZLIROESA-N 2 0 320.521 3.721 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)(C)CC ZINC000872086928 1031482920 /nfs/dbraw/zinc/48/29/20/1031482920.db2.gz ZNRBKWCUAGYLNN-GOSISDBHSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000872087901 1031483798 /nfs/dbraw/zinc/48/37/98/1031483798.db2.gz MDYKKMVMSLDMDN-HUUCEWRRSA-N 2 0 306.416 3.819 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(F)nc2)CC1 ZINC000929297186 1031488075 /nfs/dbraw/zinc/48/80/75/1031488075.db2.gz OWECHOWBQYDOBJ-HNNXBMFYSA-N 2 0 307.457 3.726 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000537024610 1031489493 /nfs/dbraw/zinc/48/94/93/1031489493.db2.gz RJQXZSWCKNADNM-FUHWJXTLSA-N 2 0 304.478 3.999 20 0 DHADRP c1ccc(OC[C@@H](NCCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000537115577 1031513025 /nfs/dbraw/zinc/51/30/25/1031513025.db2.gz HQAAZTLSEIGNHZ-OAQYLSRUSA-N 2 0 324.468 3.882 20 0 DHADRP Cc1nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872155974 1031535961 /nfs/dbraw/zinc/53/59/61/1031535961.db2.gz BQOYZJMGROWFEY-YOEHRIQHSA-N 2 0 307.507 3.571 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1cc(Cl)cc2cccnc21 ZINC000872155058 1031536208 /nfs/dbraw/zinc/53/62/08/1031536208.db2.gz AZWSTYXBDGBLQF-UHFFFAOYSA-N 2 0 305.853 3.839 20 0 DHADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCCc2ccncc2)C1)C1CCCC1 ZINC000872157172 1031538320 /nfs/dbraw/zinc/53/83/20/1031538320.db2.gz NHYSFGZCUDTRBR-ICSRJNTNSA-N 2 0 315.505 3.634 20 0 DHADRP Cc1cnccc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158093 1031540858 /nfs/dbraw/zinc/54/08/58/1031540858.db2.gz SKPIUGOEXHJQAQ-VQIMIIECSA-N 2 0 301.478 3.510 20 0 DHADRP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1)C1CCCC1 ZINC000872157525 1031540816 /nfs/dbraw/zinc/54/08/16/1031540816.db2.gz PFVHGIBIFMSFAO-RDTXWAMCSA-N 2 0 317.477 3.672 20 0 DHADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000872157247 1031541100 /nfs/dbraw/zinc/54/11/00/1031541100.db2.gz NUWOJAMAJHBEGH-RDJZCZTQSA-N 2 0 321.534 3.880 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000293777757 1031620596 /nfs/dbraw/zinc/62/05/96/1031620596.db2.gz QABZEKTVBHCFII-AUUYWEPGSA-N 2 0 318.892 3.735 20 0 DHADRP Cc1cccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000537457519 1031622325 /nfs/dbraw/zinc/62/23/25/1031622325.db2.gz HDVDHBZWFDWFIK-QFBILLFUSA-N 2 0 324.472 3.703 20 0 DHADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000360922156 1031625473 /nfs/dbraw/zinc/62/54/73/1031625473.db2.gz ZHOUIAPGGCTCIX-YYIAUSFCSA-N 2 0 302.437 3.678 20 0 DHADRP COCCN(C)CC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000360944597 1031635995 /nfs/dbraw/zinc/63/59/95/1031635995.db2.gz NZZSILQHCXJBID-HOJAQTOUSA-N 2 0 318.505 3.864 20 0 DHADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360983925 1031658386 /nfs/dbraw/zinc/65/83/86/1031658386.db2.gz BTUOPXVYWSBRPT-CALCHBBNSA-N 2 0 320.525 3.620 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)C1 ZINC000930000396 1031670906 /nfs/dbraw/zinc/67/09/06/1031670906.db2.gz OUVNCVCRNOOJBI-VDHUWJSZSA-N 2 0 322.443 3.697 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2cncs2)CC1 ZINC000361154013 1031758794 /nfs/dbraw/zinc/75/87/94/1031758794.db2.gz NJPCPXBMYHUPOS-KRWDZBQOSA-N 2 0 315.486 3.630 20 0 DHADRP CC1(C)C[C@@]1([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873212064 1031760772 /nfs/dbraw/zinc/76/07/72/1031760772.db2.gz GJQWDOUQMKDZOF-LJQANCHMSA-N 2 0 312.482 3.809 20 0 DHADRP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208229 1031760915 /nfs/dbraw/zinc/76/09/15/1031760915.db2.gz FLILBNODFQUZQD-PWSUYJOCSA-N 2 0 318.408 3.557 20 0 DHADRP c1c(C[NH2+][C@H]2CCSc3ccccc32)sc2c1C[NH2+]CC2 ZINC000873211412 1031762097 /nfs/dbraw/zinc/76/20/97/1031762097.db2.gz NFKMBRAMGQAZJG-HNNXBMFYSA-N 2 0 316.495 3.721 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000873224455 1031763840 /nfs/dbraw/zinc/76/38/40/1031763840.db2.gz BZCQJDLGDKXXTL-KZNAEPCWSA-N 2 0 316.489 3.653 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000873220142 1031764409 /nfs/dbraw/zinc/76/44/09/1031764409.db2.gz KMTMFIORIJIFOI-QWHCGFSZSA-N 2 0 314.395 3.614 20 0 DHADRP [NH3+][C@H](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000873234521 1031766612 /nfs/dbraw/zinc/76/66/12/1031766612.db2.gz FWAAAJJRSQBZKN-ARFHVFGLSA-N 2 0 314.395 3.657 20 0 DHADRP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232208 1031766758 /nfs/dbraw/zinc/76/67/58/1031766758.db2.gz BTJYTIUUFFSVIT-LJQANCHMSA-N 2 0 309.457 3.637 20 0 DHADRP Cc1ncsc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232463 1031767127 /nfs/dbraw/zinc/76/71/27/1031767127.db2.gz QGFOZSCEQPTGSO-HOCLYGCPSA-N 2 0 307.507 3.571 20 0 DHADRP CC(C)(C)c1ncc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873233046 1031768297 /nfs/dbraw/zinc/76/82/97/1031768297.db2.gz XJWLROZULVWFIY-OAHLLOKOSA-N 2 0 321.534 3.843 20 0 DHADRP CC(C)n1nccc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232184 1031768308 /nfs/dbraw/zinc/76/83/08/1031768308.db2.gz MPXWKWHXLQUYOV-APWZRJJASA-N 2 0 318.509 3.584 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873239794 1031770341 /nfs/dbraw/zinc/77/03/41/1031770341.db2.gz CVBRXKSVKUPEPA-CKYFFXLPSA-N 2 0 316.276 3.744 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1Cl ZINC000873250498 1031772843 /nfs/dbraw/zinc/77/28/43/1031772843.db2.gz PMXPNBYVERCFMQ-KFWWJZLASA-N 2 0 310.869 3.523 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000873250077 1031773341 /nfs/dbraw/zinc/77/33/41/1031773341.db2.gz DHYOAHOBILXKLA-GBIKHYSHSA-N 2 0 315.244 3.534 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000873252616 1031774300 /nfs/dbraw/zinc/77/43/00/1031774300.db2.gz TYBOKTOFCKJJLT-MWNCTCPHSA-N 2 0 312.379 3.668 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254125 1031774847 /nfs/dbraw/zinc/77/48/47/1031774847.db2.gz LJBWUCJRTDJLOY-XPKDYRNWSA-N 2 0 315.486 3.815 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254380 1031775007 /nfs/dbraw/zinc/77/50/07/1031775007.db2.gz SAMBDRAACXHFPS-KYOSRNDESA-N 2 0 301.459 3.506 20 0 DHADRP CC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873252362 1031775363 /nfs/dbraw/zinc/77/53/63/1031775363.db2.gz OGXBIHZOXXVORC-KBXCAEBGSA-N 2 0 324.415 3.513 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(SCC(F)(F)F)cc1 ZINC000873255398 1031775633 /nfs/dbraw/zinc/77/56/33/1031775633.db2.gz FUQFSBKVDXOWSR-GVXVVHGQSA-N 2 0 318.408 3.729 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000873257267 1031777426 /nfs/dbraw/zinc/77/74/26/1031777426.db2.gz RSQHKDNVBRYYFP-IXPVHAAZSA-N 2 0 312.429 3.706 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000873256445 1031777688 /nfs/dbraw/zinc/77/76/88/1031777688.db2.gz MPYQUDKPDRSHCT-DDWPSWQVSA-N 2 0 312.379 3.668 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257340 1031777792 /nfs/dbraw/zinc/77/77/92/1031777792.db2.gz SAMBDRAACXHFPS-WHOFXGATSA-N 2 0 301.459 3.506 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257584 1031778086 /nfs/dbraw/zinc/77/80/86/1031778086.db2.gz UJIRTUFECPQQPA-DRZSPHRISA-N 2 0 319.449 3.646 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c2ccccc12 ZINC000873264858 1031779957 /nfs/dbraw/zinc/77/99/57/1031779957.db2.gz HUKGZDVPINYUQX-CABCVRRESA-N 2 0 312.457 3.887 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264729 1031780621 /nfs/dbraw/zinc/78/06/21/1031780621.db2.gz QRBGEIQNZVKSFO-DUFGSWQCSA-N 2 0 320.864 3.674 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)C1CC[NH2+]CC1 ZINC000873267745 1031782076 /nfs/dbraw/zinc/78/20/76/1031782076.db2.gz IWHCXFGNHMDLKF-MLGOLLRUSA-N 2 0 308.853 3.531 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873269827 1031782308 /nfs/dbraw/zinc/78/23/08/1031782308.db2.gz LEPWGSIDPMPJGT-QWHCGFSZSA-N 2 0 312.404 3.635 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1OCC ZINC000873265925 1031782632 /nfs/dbraw/zinc/78/26/32/1031782632.db2.gz RPBARGRPPBFJND-CABCVRRESA-N 2 0 320.477 3.523 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)C1CC[NH2+]CC1 ZINC000873271903 1031784287 /nfs/dbraw/zinc/78/42/87/1031784287.db2.gz LTSLWRLERAIJFB-XHDPSFHLSA-N 2 0 310.894 3.855 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000873272679 1031784651 /nfs/dbraw/zinc/78/46/51/1031784651.db2.gz WDZYODBGAMSUEA-UWVGGRQHSA-N 2 0 317.296 3.549 20 0 DHADRP CC(C)C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000873290235 1031790411 /nfs/dbraw/zinc/79/04/11/1031790411.db2.gz BSMUIIZCHIHCPZ-RTBURBONSA-N 2 0 316.489 3.522 20 0 DHADRP CC(C)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000361354881 1031883805 /nfs/dbraw/zinc/88/38/05/1031883805.db2.gz YKKGVTITNSXMDK-PMACEKPBSA-N 2 0 318.505 3.600 20 0 DHADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000361387080 1031902184 /nfs/dbraw/zinc/90/21/84/1031902184.db2.gz SKIDPKKEAISUNY-SJORKVTESA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361425100 1031919018 /nfs/dbraw/zinc/91/90/18/1031919018.db2.gz DBTDQNOBBAANMY-GDBMZVCRSA-N 2 0 308.416 3.674 20 0 DHADRP FC1(F)CCC(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000898031278 1031922955 /nfs/dbraw/zinc/92/29/55/1031922955.db2.gz AVHKGPQCFXHLQJ-UHFFFAOYSA-N 2 0 320.387 3.573 20 0 DHADRP Cc1ncccc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000898255491 1032004071 /nfs/dbraw/zinc/00/40/71/1032004071.db2.gz KEEGNFPFBDRFDR-OXJNMPFZSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534153 1032054603 /nfs/dbraw/zinc/05/46/03/1032054603.db2.gz WZYACFWESYKGQN-STQMWFEESA-N 2 0 300.368 3.698 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000136292395 1033304430 /nfs/dbraw/zinc/30/44/30/1033304430.db2.gz JUKXKSJDJAPCJK-OAHLLOKOSA-N 2 0 324.428 3.930 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccnn1C1CCC1 ZINC000924689078 1033306858 /nfs/dbraw/zinc/30/68/58/1033306858.db2.gz WKBDXNNCYOLYDI-DLBZAZTESA-N 2 0 318.509 3.771 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccnn1C1CCC1 ZINC000924689088 1033307535 /nfs/dbraw/zinc/30/75/35/1033307535.db2.gz WKBDXNNCYOLYDI-SJORKVTESA-N 2 0 318.509 3.771 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719808 1033328208 /nfs/dbraw/zinc/32/82/08/1033328208.db2.gz QQBSBRWYMISCLF-LJQANCHMSA-N 2 0 320.908 3.859 20 0 DHADRP CC(C)OC(=O)CC[C@H](C)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172749390 1033338648 /nfs/dbraw/zinc/33/86/48/1033338648.db2.gz ANLLGKVTTSEJKT-BQFCYCMXSA-N 2 0 324.509 3.621 20 0 DHADRP CCOc1ccccc1[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000477920921 1033374917 /nfs/dbraw/zinc/37/49/17/1033374917.db2.gz VZVYTZZLDAUMQZ-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Cl)cc1Br ZINC000149760198 1033375349 /nfs/dbraw/zinc/37/53/49/1033375349.db2.gz IRHOORWOCNOMFH-UHFFFAOYSA-N 2 0 319.674 3.534 20 0 DHADRP CC[N@H+]1C[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172825676 1033389104 /nfs/dbraw/zinc/38/91/04/1033389104.db2.gz ZVNHMMXCIHXXEZ-JWEZTNTCSA-N 2 0 312.501 3.671 20 0 DHADRP CC(C)c1cnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000877684541 1033409907 /nfs/dbraw/zinc/40/99/07/1033409907.db2.gz PRQCHICWWYGJSY-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001172841431 1033410340 /nfs/dbraw/zinc/41/03/40/1033410340.db2.gz JZEKAVUXPOCTRG-IYXRBSQSSA-N 2 0 312.860 3.873 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000151124424 1033417178 /nfs/dbraw/zinc/41/71/78/1033417178.db2.gz SYNNKRAFSVSWOA-IXDOHACOSA-N 2 0 304.478 3.509 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000151124486 1033417683 /nfs/dbraw/zinc/41/76/83/1033417683.db2.gz SYNNKRAFSVSWOA-IKGGRYGDSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172852939 1033421121 /nfs/dbraw/zinc/42/11/21/1033421121.db2.gz WHLMHCLKLGRYEX-MGPQQGTHSA-N 2 0 312.860 3.873 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001172856418 1033426759 /nfs/dbraw/zinc/42/67/59/1033426759.db2.gz HNFOQQFKJBMRCC-RCBQFDQVSA-N 2 0 312.860 3.873 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC(C)(C)C[NH+](C)C ZINC001172857478 1033427279 /nfs/dbraw/zinc/42/72/79/1033427279.db2.gz VBESCCNKCJTLPX-LBPRGKRZSA-N 2 0 300.849 3.588 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001172858290 1033429969 /nfs/dbraw/zinc/42/99/69/1033429969.db2.gz FLSONDRXKXSUKQ-FUJMWEONSA-N 2 0 312.860 3.907 20 0 DHADRP COc1ccc2oc(CNC[C@@H](C)C[NH+]3CCCCC3)cc2c1 ZINC000478245309 1033435830 /nfs/dbraw/zinc/43/58/30/1033435830.db2.gz ABPNRMXOGOTQQG-OAHLLOKOSA-N 2 0 316.445 3.653 20 0 DHADRP CO[C@H]1CCC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931515 1033474889 /nfs/dbraw/zinc/47/48/89/1033474889.db2.gz VSFBQBRAARAJHF-MUGJNUQGSA-N 2 0 316.489 3.716 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040954 1033506869 /nfs/dbraw/zinc/50/68/69/1033506869.db2.gz QSQNVMBTPUUKKZ-KRWDZBQOSA-N 2 0 308.510 3.580 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2CCC3(CCOCC3)CC2)CC1(C)C ZINC001173042547 1033508114 /nfs/dbraw/zinc/50/81/14/1033508114.db2.gz VGCPVRMSBXCVNN-UHFFFAOYSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173044962 1033510770 /nfs/dbraw/zinc/51/07/70/1033510770.db2.gz MDWYBKIGWSMOEP-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP C(C1CCC1)[NH+]1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173045257 1033510789 /nfs/dbraw/zinc/51/07/89/1033510789.db2.gz POEDSMKWOKGGNR-UHFFFAOYSA-N 2 0 320.521 3.580 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+]C2CCC(OCCC)CC2)CC1 ZINC001173094032 1033524150 /nfs/dbraw/zinc/52/41/50/1033524150.db2.gz QUMQZPBUXPTUAR-UHFFFAOYSA-N 2 0 310.526 3.826 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1SC ZINC000152453667 1033525579 /nfs/dbraw/zinc/52/55/79/1033525579.db2.gz KHCLEPJHGHJNGY-ZIAGYGMSSA-N 2 0 320.502 3.552 20 0 DHADRP FC(F)(F)c1coc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000877969027 1033533407 /nfs/dbraw/zinc/53/34/07/1033533407.db2.gz UOSPIFYOFUWJPK-UHFFFAOYSA-N 2 0 316.367 3.606 20 0 DHADRP CCCOC1CCC([NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC001173101553 1033540913 /nfs/dbraw/zinc/54/09/13/1033540913.db2.gz POUMUHVXMJZLDI-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3ccc(F)cc3C2)CC1 ZINC001173105763 1033543339 /nfs/dbraw/zinc/54/33/39/1033543339.db2.gz DNPUVXKHJUFFFL-GPJFCIFZSA-N 2 0 318.480 3.926 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001173109175 1033544739 /nfs/dbraw/zinc/54/47/39/1033544739.db2.gz YTXDCRFFFHJSJF-YMAMQOFZSA-N 2 0 306.416 3.709 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]2c2cc(C)on2)CC1 ZINC001173108075 1033545139 /nfs/dbraw/zinc/54/51/39/1033545139.db2.gz DDXXSDSSRVODEB-HTWSVDAQSA-N 2 0 305.466 3.773 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(OC(C)C)ccn2)CC1 ZINC001173107311 1033546092 /nfs/dbraw/zinc/54/60/92/1033546092.db2.gz OILIGUYTNDCVID-UHFFFAOYSA-N 2 0 319.493 3.611 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3ncc(Cl)cc3C2)CC1 ZINC001173113506 1033547539 /nfs/dbraw/zinc/54/75/39/1033547539.db2.gz RLOXXXGYQIIJIB-UHFFFAOYSA-N 2 0 321.896 3.746 20 0 DHADRP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173127076 1033559521 /nfs/dbraw/zinc/55/95/21/1033559521.db2.gz UMBXFJKULHGLGY-MRXNPFEDSA-N 2 0 323.550 3.882 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878105992 1033579787 /nfs/dbraw/zinc/57/97/87/1033579787.db2.gz FDJIFUAYRKRSBV-CEXWTWQISA-N 2 0 320.521 3.675 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000153514832 1033582870 /nfs/dbraw/zinc/58/28/70/1033582870.db2.gz ZLRCXPKTCPDPAQ-VQIMIIECSA-N 2 0 316.489 3.634 20 0 DHADRP C[NH+](C)CC1CC[NH+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173204092 1033582882 /nfs/dbraw/zinc/58/28/82/1033582882.db2.gz KLZLWJYNAJEXDI-UHFFFAOYSA-N 2 0 316.489 3.650 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878165034 1033604287 /nfs/dbraw/zinc/60/42/87/1033604287.db2.gz RXBPYZCLUYGAGD-WOJBJXKFSA-N 2 0 316.489 3.713 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(OC)c3)CC2)C1 ZINC001173269010 1033637629 /nfs/dbraw/zinc/63/76/29/1033637629.db2.gz FNYVPCWRWWIQBD-SJLPKXTDSA-N 2 0 316.489 3.610 20 0 DHADRP CC[C@@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173270002 1033639505 /nfs/dbraw/zinc/63/95/05/1033639505.db2.gz MBUQPPKCOGTDLR-OWYHZJEWSA-N 2 0 301.478 3.732 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001173270625 1033639732 /nfs/dbraw/zinc/63/97/32/1033639732.db2.gz OGLMIOCEFWIBSU-CRAIPNDOSA-N 2 0 304.453 3.740 20 0 DHADRP CCSC[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001173311913 1033665418 /nfs/dbraw/zinc/66/54/18/1033665418.db2.gz QZYALOFAHAHZLK-HKUYNNGSSA-N 2 0 318.530 3.726 20 0 DHADRP CCSC[C@@H](C)[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001173312854 1033666186 /nfs/dbraw/zinc/66/61/86/1033666186.db2.gz WTMBAHYVOYLEFQ-QGZVFWFLSA-N 2 0 318.530 3.726 20 0 DHADRP CC[C@@H]1CC[C@H]([N@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C1 ZINC001173279834 1033670950 /nfs/dbraw/zinc/67/09/50/1033670950.db2.gz ROWAKVOQUBFDOD-IKGGRYGDSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411376 1033694769 /nfs/dbraw/zinc/69/47/69/1033694769.db2.gz IPVSSHGZDDXBPZ-XYJFISCASA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc([C@H](C)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000553469657 1033701575 /nfs/dbraw/zinc/70/15/75/1033701575.db2.gz YJFDUPADOIAORH-QGZVFWFLSA-N 2 0 318.505 3.851 20 0 DHADRP CC[N@@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001173368325 1033720855 /nfs/dbraw/zinc/72/08/55/1033720855.db2.gz OJUOOEJBJNMLEV-MRXNPFEDSA-N 2 0 315.436 3.514 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001173553579 1033770163 /nfs/dbraw/zinc/77/01/63/1033770163.db2.gz ZVGZILRUQQLIFJ-NWDGAFQWSA-N 2 0 303.277 3.841 20 0 DHADRP CCCCO[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000479518783 1033797357 /nfs/dbraw/zinc/79/73/57/1033797357.db2.gz SFOYXHXSZJDWMK-HIEASXQVSA-N 2 0 308.510 3.577 20 0 DHADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC[PH+](C(C)C)C(C)C)C1 ZINC001173632347 1033800768 /nfs/dbraw/zinc/80/07/68/1033800768.db2.gz LLSHUPNTNJYJHD-CVEARBPZSA-N 2 0 315.438 3.997 20 0 DHADRP COc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000479601305 1033830558 /nfs/dbraw/zinc/83/05/58/1033830558.db2.gz HDTCSBRFQJOBAB-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP c1ccc2c(c1)CCC21CCC([NH2+]CC23CC[NH+](CC2)CC3)CC1 ZINC001173689782 1033834075 /nfs/dbraw/zinc/83/40/75/1033834075.db2.gz TVAREWOUSJBQCD-UHFFFAOYSA-N 2 0 324.512 3.889 20 0 DHADRP CC(C)[N@H+](C)CC1CCN(Cc2ccc(F)c(F)c2F)CC1 ZINC000667535057 1033853799 /nfs/dbraw/zinc/85/37/99/1033853799.db2.gz WZEFVQCTXATGOT-UHFFFAOYSA-N 2 0 314.395 3.656 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000173839447 1033886049 /nfs/dbraw/zinc/88/60/49/1033886049.db2.gz VARVSIRFWIPIPJ-KRWDZBQOSA-N 2 0 309.457 3.918 20 0 DHADRP CC(C)Oc1ccccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001137139809 1033892887 /nfs/dbraw/zinc/89/28/87/1033892887.db2.gz WJBSZDBNPMOLBZ-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000127476665 1033898390 /nfs/dbraw/zinc/89/83/90/1033898390.db2.gz JPXPYMMASFFGED-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554046624 1033935697 /nfs/dbraw/zinc/93/56/97/1033935697.db2.gz CPXNFLWLBWBJCH-CEDHKZHLSA-N 2 0 312.501 3.921 20 0 DHADRP C[N@H+]1Cc2c(Nc3cc[nH+]cc3)cccc2[C@H](c2ccccc2)C1 ZINC001173884842 1033967803 /nfs/dbraw/zinc/96/78/03/1033967803.db2.gz ULCQTYHSQLRUQO-IBGZPJMESA-N 2 0 315.420 3.824 20 0 DHADRP c1cc(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)cc[nH+]1 ZINC001173885019 1033968406 /nfs/dbraw/zinc/96/84/06/1033968406.db2.gz CWGRQBLMWHBHPV-HXUWFJFHSA-N 2 0 307.441 3.590 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)nc3ccccc23)C1 ZINC000174966433 1033969447 /nfs/dbraw/zinc/96/94/47/1033969447.db2.gz JPZLVDVLHAIGOK-QGZVFWFLSA-N 2 0 311.473 3.707 20 0 DHADRP C[NH+](C)Cc1ccccc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001173928790 1033991996 /nfs/dbraw/zinc/99/19/96/1033991996.db2.gz LFDBUIIUJYTCAA-UHFFFAOYSA-N 2 0 310.445 3.877 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863544843 1034124518 /nfs/dbraw/zinc/12/45/18/1034124518.db2.gz CNQGTSCBYKSPQA-SWLSCSKDSA-N 2 0 307.388 3.644 20 0 DHADRP COc1ccc([C@H]2CC[N@H+](CCCCCCC[NH3+])C2)cc1F ZINC000863570931 1034131249 /nfs/dbraw/zinc/13/12/49/1034131249.db2.gz MUPFNTJLPAHXHB-INIZCTEOSA-N 2 0 308.441 3.533 20 0 DHADRP C[NH2+]C[C@@H](O)c1cccc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)c1 ZINC000863690026 1034177161 /nfs/dbraw/zinc/17/71/61/1034177161.db2.gz IRJIHRURYVSOHG-HRAATJIYSA-N 2 0 324.468 3.591 20 0 DHADRP C[C@H]([NH2+]Cc1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178023687 1034201104 /nfs/dbraw/zinc/20/11/04/1034201104.db2.gz QMXGYLWHRYYEJQ-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000880254624 1034267027 /nfs/dbraw/zinc/26/70/27/1034267027.db2.gz JITFMZQXIWVVHS-GOSISDBHSA-N 2 0 308.510 3.534 20 0 DHADRP C[NH+]1CCC(c2ccc(Nc3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001174276259 1034268611 /nfs/dbraw/zinc/26/86/11/1034268611.db2.gz BJFTYBYUKXGUJD-UHFFFAOYSA-N 2 0 306.413 3.887 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(Cl)nc1 ZINC000179100273 1034281119 /nfs/dbraw/zinc/28/11/19/1034281119.db2.gz TVXBUDFYVFQLAM-CYBMUJFWSA-N 2 0 303.837 3.647 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000480603020 1034337126 /nfs/dbraw/zinc/33/71/26/1034337126.db2.gz RGWATPSWDORVMG-FXAWDEMLSA-N 2 0 318.505 3.679 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000480666905 1034378765 /nfs/dbraw/zinc/37/87/65/1034378765.db2.gz FODIJSQFMDWOMY-IIAWOOMASA-N 2 0 314.395 3.685 20 0 DHADRP Cc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)ccc1F ZINC000064845530 1034379760 /nfs/dbraw/zinc/37/97/60/1034379760.db2.gz XZWMBECRJXMJBO-UHFFFAOYSA-N 2 0 300.421 3.746 20 0 DHADRP Fc1ccc(CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000480659785 1034379906 /nfs/dbraw/zinc/37/99/06/1034379906.db2.gz GMEZTWAVBMHQCF-CVEARBPZSA-N 2 0 308.416 3.504 20 0 DHADRP Cc1cccc(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000480716838 1034418348 /nfs/dbraw/zinc/41/83/48/1034418348.db2.gz MRFIRARJJSCSJT-UHFFFAOYSA-N 2 0 300.490 3.735 20 0 DHADRP Fc1cccc(CC2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000480753196 1034431222 /nfs/dbraw/zinc/43/12/22/1034431222.db2.gz ATWDTINXWLAGLJ-QZTJIDSGSA-N 2 0 302.437 3.507 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000480770040 1034437434 /nfs/dbraw/zinc/43/74/34/1034437434.db2.gz RANHZDBMWIGQQQ-LBPRGKRZSA-N 2 0 319.276 3.612 20 0 DHADRP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749834 1034450199 /nfs/dbraw/zinc/45/01/99/1034450199.db2.gz BIEABJMXLXWAEQ-HOTGVXAUSA-N 2 0 313.445 3.724 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000184249259 1034457492 /nfs/dbraw/zinc/45/74/92/1034457492.db2.gz AELYIAQRSXCCHB-QGZVFWFLSA-N 2 0 309.457 3.705 20 0 DHADRP CC[C@@H](COC)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480905348 1034496256 /nfs/dbraw/zinc/49/62/56/1034496256.db2.gz XEYMWCQZNQXJRX-IBGZPJMESA-N 2 0 318.505 3.966 20 0 DHADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000186844370 1034667491 /nfs/dbraw/zinc/66/74/91/1034667491.db2.gz YBLINWZLKLROAF-XHSDSOJGSA-N 2 0 312.379 3.549 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481249610 1034686754 /nfs/dbraw/zinc/68/67/54/1034686754.db2.gz IFEFQNNYRFHWIN-IRXDYDNUSA-N 2 0 302.462 3.634 20 0 DHADRP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H]1c1cccs1 ZINC000667873273 1034795049 /nfs/dbraw/zinc/79/50/49/1034795049.db2.gz XEJMUMKIUOEQAK-XLKGFZLASA-N 2 0 304.503 3.909 20 0 DHADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000192519671 1034808416 /nfs/dbraw/zinc/80/84/16/1034808416.db2.gz UDBUHWHQDIIVEL-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481393212 1034808615 /nfs/dbraw/zinc/80/86/15/1034808615.db2.gz QWVNBQZBERLGRC-LPHOPBHVSA-N 2 0 304.453 3.880 20 0 DHADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(F)c1F ZINC001143607565 1034862483 /nfs/dbraw/zinc/86/24/83/1034862483.db2.gz ROCBXFLBBYUMRX-UHFFFAOYSA-N 2 0 310.432 3.825 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802080 1034910816 /nfs/dbraw/zinc/91/08/16/1034910816.db2.gz KWFOAPJWUAERGL-BBRMVZONSA-N 2 0 313.272 3.910 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC[C@H]2CCOC2)CC1)CC1CC1 ZINC000645845179 1034924379 /nfs/dbraw/zinc/92/43/79/1034924379.db2.gz PPMWMIJXJPTMFW-FQEVSTJZSA-N 2 0 322.537 3.637 20 0 DHADRP C[NH+](C)Cc1cccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001175505336 1035013361 /nfs/dbraw/zinc/01/33/61/1035013361.db2.gz LHJOHYDMWAICOR-UHFFFAOYSA-N 2 0 321.468 3.950 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000481943097 1035033704 /nfs/dbraw/zinc/03/37/04/1035033704.db2.gz FBTZLVAWRGYYLM-XHDPSFHLSA-N 2 0 316.367 3.502 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)N[C@H](C)CC[NH+](C)C)c1 ZINC000481963494 1035042003 /nfs/dbraw/zinc/04/20/03/1035042003.db2.gz RAQMBSXHJYPIJR-OLZOCXBDSA-N 2 0 300.393 3.587 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)[C@H](C)C1 ZINC000482078688 1035057616 /nfs/dbraw/zinc/05/76/16/1035057616.db2.gz GSZRXGMJOSYKTO-NNFUDEMPSA-N 2 0 304.453 3.782 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001175769501 1035114614 /nfs/dbraw/zinc/11/46/14/1035114614.db2.gz RWHMYUHOWCJLFZ-SFHVURJKSA-N 2 0 323.484 3.991 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000482511739 1035125087 /nfs/dbraw/zinc/12/50/87/1035125087.db2.gz YAVVEKFIXFKUQB-HXUWFJFHSA-N 2 0 300.490 3.719 20 0 DHADRP COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000568050988 1035166775 /nfs/dbraw/zinc/16/67/75/1035166775.db2.gz QSBGQGPKRKWHQW-NRFANRHFSA-N 2 0 322.452 3.678 20 0 DHADRP CC1(C)C[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)C(C)(C)O1 ZINC001175965821 1035168913 /nfs/dbraw/zinc/16/89/13/1035168913.db2.gz RUUUDXWWWXVDDO-QGZVFWFLSA-N 2 0 322.537 3.921 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)[C@@H](C)C1 ZINC000483144258 1035233439 /nfs/dbraw/zinc/23/34/39/1035233439.db2.gz BQJPOXBHWGBISY-OKYOBFRVSA-N 2 0 324.553 3.928 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483424460 1035268600 /nfs/dbraw/zinc/26/86/00/1035268600.db2.gz DWLXNGIXAKFSRO-RBUKOAKNSA-N 2 0 304.453 3.664 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483472671 1035273412 /nfs/dbraw/zinc/27/34/12/1035273412.db2.gz BJYLXVWDVUAHBT-UNEWFSDZSA-N 2 0 324.415 3.765 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000483504868 1035274458 /nfs/dbraw/zinc/27/44/58/1035274458.db2.gz LZZRMPHWPJAAIU-LEWJYISDSA-N 2 0 308.469 3.798 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)[C@H](C)C1 ZINC000483722020 1035292385 /nfs/dbraw/zinc/29/23/85/1035292385.db2.gz HWIJEXXBNUVUAA-CXQPBAHBSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cncs1 ZINC000163231851 1035300962 /nfs/dbraw/zinc/30/09/62/1035300962.db2.gz PUJPLCKJYDXMCR-ZOBUZTSGSA-N 2 0 315.486 3.847 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C ZINC000483869722 1035306991 /nfs/dbraw/zinc/30/69/91/1035306991.db2.gz MSDPBDQZDXXKMH-BHIYHBOVSA-N 2 0 318.505 3.548 20 0 DHADRP OC1(C[NH+]2CCCCC2)CC[NH+](CCC2CCCCCC2)CC1 ZINC001176879379 1035334966 /nfs/dbraw/zinc/33/49/66/1035334966.db2.gz JQBPWOZADQTGJD-UHFFFAOYSA-N 2 0 322.537 3.660 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001206292872 1035348464 /nfs/dbraw/zinc/34/84/64/1035348464.db2.gz DSPROTTULXLMBL-MRXNPFEDSA-N 2 0 314.395 3.699 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CC)CCCC2)[C@H](C)C1 ZINC000484513241 1035352008 /nfs/dbraw/zinc/35/20/08/1035352008.db2.gz BJRNRMVFZQAGFB-QZTJIDSGSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC001177319101 1035363600 /nfs/dbraw/zinc/36/36/00/1035363600.db2.gz VNZWYTNKKAVBDK-SJLPKXTDSA-N 2 0 304.478 3.543 20 0 DHADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001177646881 1035386695 /nfs/dbraw/zinc/38/66/95/1035386695.db2.gz SSWMTBRWXVHJDF-NRFANRHFSA-N 2 0 324.468 3.713 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)C(C)(C)C ZINC001177822201 1035391894 /nfs/dbraw/zinc/39/18/94/1035391894.db2.gz IFPQUZKMBXGALE-MOPGFXCFSA-N 2 0 302.506 3.890 20 0 DHADRP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311424 1035400326 /nfs/dbraw/zinc/40/03/26/1035400326.db2.gz OGLJNEMEVRKQHT-INIZCTEOSA-N 2 0 314.395 3.965 20 0 DHADRP CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329144 1035400892 /nfs/dbraw/zinc/40/08/92/1035400892.db2.gz KUVOAODEGVALMI-GSJFWJNXSA-N 2 0 301.261 3.641 20 0 DHADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1C(F)F ZINC000904351305 1035403067 /nfs/dbraw/zinc/40/30/67/1035403067.db2.gz XEOXXHIUTBHVMM-KBPBESRZSA-N 2 0 312.379 3.585 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccs1 ZINC001177981827 1035405347 /nfs/dbraw/zinc/40/53/47/1035405347.db2.gz SATQOAKFCFXZSJ-HOTGVXAUSA-N 2 0 314.498 3.994 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904384314 1035409703 /nfs/dbraw/zinc/40/97/03/1035409703.db2.gz INWGHZWNHUPVHJ-FXAWDEMLSA-N 2 0 316.489 3.654 20 0 DHADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(SC(F)(F)F)c1 ZINC000904386003 1035409736 /nfs/dbraw/zinc/40/97/36/1035409736.db2.gz MOYZRWUDTFGWQQ-BMQDGWLCSA-N 2 0 304.381 3.686 20 0 DHADRP CCCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001178249115 1035415988 /nfs/dbraw/zinc/41/59/88/1035415988.db2.gz IPEZNQVWBZNORU-IBGZPJMESA-N 2 0 318.505 3.933 20 0 DHADRP Cc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000904477019 1035418257 /nfs/dbraw/zinc/41/82/57/1035418257.db2.gz WJZXUYCZDONUKN-PZJWPPBQSA-N 2 0 322.452 3.649 20 0 DHADRP Cc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000904477018 1035418684 /nfs/dbraw/zinc/41/86/84/1035418684.db2.gz WJZXUYCZDONUKN-FPOVZHCZSA-N 2 0 322.452 3.649 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc3sccc3nc2Cl)CC1 ZINC001206325755 1035422555 /nfs/dbraw/zinc/42/25/55/1035422555.db2.gz IZBOMONMDUAXQV-MRXNPFEDSA-N 2 0 323.893 3.901 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC001178449887 1035427130 /nfs/dbraw/zinc/42/71/30/1035427130.db2.gz YTVXIRBJXOGHOU-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC001178518954 1035432862 /nfs/dbraw/zinc/43/28/62/1035432862.db2.gz FYXQCWOOWCJSHW-RBUKOAKNSA-N 2 0 302.506 3.964 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001178917176 1035454406 /nfs/dbraw/zinc/45/44/06/1035454406.db2.gz VIXQBLSLNSPVTB-GFCCVEGCSA-N 2 0 301.261 3.815 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC1(C)C ZINC001178977810 1035455649 /nfs/dbraw/zinc/45/56/49/1035455649.db2.gz QLLGDBRBOZZTNL-QZTJIDSGSA-N 2 0 304.478 3.541 20 0 DHADRP COc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC001179277416 1035473052 /nfs/dbraw/zinc/47/30/52/1035473052.db2.gz FGQFOKLWRDWZLU-UHFFFAOYSA-N 2 0 324.896 3.949 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c(C)c1 ZINC001204249060 1035484068 /nfs/dbraw/zinc/48/40/68/1035484068.db2.gz LQKWYQIIPAANBI-XLIONFOSSA-N 2 0 318.505 3.946 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000069671121 1035494806 /nfs/dbraw/zinc/49/48/06/1035494806.db2.gz QFXPQOHNVPNXER-OAQYLSRUSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205617745 1035534898 /nfs/dbraw/zinc/53/48/98/1035534898.db2.gz NBBDUCRTCUYHBH-YPMHNXCESA-N 2 0 318.358 3.651 20 0 DHADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC001180083390 1035590683 /nfs/dbraw/zinc/59/06/83/1035590683.db2.gz YWHFCIDROOAWAZ-CEXWTWQISA-N 2 0 310.526 3.636 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001193324360 1035605039 /nfs/dbraw/zinc/60/50/39/1035605039.db2.gz MOACIUYIGCOCPQ-SFHVURJKSA-N 2 0 310.526 3.636 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001193324352 1035605091 /nfs/dbraw/zinc/60/50/91/1035605091.db2.gz MOACIUYIGCOCPQ-GOSISDBHSA-N 2 0 310.526 3.636 20 0 DHADRP CC[NH+](CC)CC(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001180391172 1035661461 /nfs/dbraw/zinc/66/14/61/1035661461.db2.gz LCIOKRKWKRKALB-UHFFFAOYSA-N 2 0 316.470 3.913 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000535514447 1035664140 /nfs/dbraw/zinc/66/41/40/1035664140.db2.gz RWCHHAZSSQWRFR-OTWHNJEPSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2csc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205637852 1035675602 /nfs/dbraw/zinc/67/56/02/1035675602.db2.gz JLPAKPHSALYNEA-ZYHUDNBSSA-N 2 0 306.397 3.574 20 0 DHADRP C[C@H](CC[NH2+]C1CC(C)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC001180812429 1035768583 /nfs/dbraw/zinc/76/85/83/1035768583.db2.gz ZJHABBSRBVMLMZ-QHGAOEGBSA-N 2 0 300.490 3.961 20 0 DHADRP c1cc(-c2cnc([C@H]3CCC[NH2+]3)nc2)ccc1C[NH+]1CCCCC1 ZINC000906154042 1035778969 /nfs/dbraw/zinc/77/89/69/1035778969.db2.gz ZVMOQDNGQSBHON-LJQANCHMSA-N 2 0 322.456 3.554 20 0 DHADRP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)c1 ZINC000906157626 1035780693 /nfs/dbraw/zinc/78/06/93/1035780693.db2.gz FYQMGNRAXIEKNN-DNVCBOLYSA-N 2 0 322.456 3.552 20 0 DHADRP Cc1c[nH+]ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000192586370 1035802914 /nfs/dbraw/zinc/80/29/14/1035802914.db2.gz YPROSAFXEUPAFA-YQQQUEKLSA-N 2 0 307.441 3.998 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001181427272 1035907844 /nfs/dbraw/zinc/90/78/44/1035907844.db2.gz LLLZCKUSBOZOQZ-GOSISDBHSA-N 2 0 318.505 3.693 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168468992 1035941615 /nfs/dbraw/zinc/94/16/15/1035941615.db2.gz QSDLAWBIRMFXMP-OAHLLOKOSA-N 2 0 306.469 3.999 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH+](C)C ZINC000193970344 1035957423 /nfs/dbraw/zinc/95/74/23/1035957423.db2.gz YXSFYXVENRAUIT-ZDUSSCGKSA-N 2 0 302.384 3.568 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000540151061 1035985554 /nfs/dbraw/zinc/98/55/54/1035985554.db2.gz MYBIKDRLDXZGSM-HNAYVOBHSA-N 2 0 304.453 3.771 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000540174170 1035994464 /nfs/dbraw/zinc/99/44/64/1035994464.db2.gz VJCNPVIOJKFXFL-APWZRJJASA-N 2 0 318.505 3.683 20 0 DHADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000540172269 1035994570 /nfs/dbraw/zinc/99/45/70/1035994570.db2.gz XPQUFGLSJMXIJM-CEXWTWQISA-N 2 0 318.505 3.843 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000540316441 1036037646 /nfs/dbraw/zinc/03/76/46/1036037646.db2.gz VFUWRJSRILEHPU-IBGZPJMESA-N 2 0 304.453 3.988 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000540606443 1036114921 /nfs/dbraw/zinc/11/49/21/1036114921.db2.gz JHEGSFCRJVFXSG-LJQANCHMSA-N 2 0 302.437 3.909 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000540645069 1036123376 /nfs/dbraw/zinc/12/33/76/1036123376.db2.gz ZGBMJEPLAJBBEI-UHFFFAOYSA-N 2 0 322.452 3.714 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000668586557 1036130758 /nfs/dbraw/zinc/13/07/58/1036130758.db2.gz DYZSVLSDZJEOKC-FUHWJXTLSA-N 2 0 316.489 3.710 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000494988094 1036163974 /nfs/dbraw/zinc/16/39/74/1036163974.db2.gz MNXQCIBZQKNMBY-NRFANRHFSA-N 2 0 306.453 3.936 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494984505 1036165531 /nfs/dbraw/zinc/16/55/31/1036165531.db2.gz FXPUCJAMVSIUMJ-AEFFLSMTSA-N 2 0 310.551 3.716 20 0 DHADRP CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540991163 1036209801 /nfs/dbraw/zinc/20/98/01/1036209801.db2.gz ZLRRAJJUAATWTD-FFZOFVMBSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000495061908 1036218541 /nfs/dbraw/zinc/21/85/41/1036218541.db2.gz UXKPQQSQYCLQHJ-QQBOBMDFSA-N 2 0 300.490 3.921 20 0 DHADRP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000541282652 1036285962 /nfs/dbraw/zinc/28/59/62/1036285962.db2.gz PIJOWYIVBWZEPB-CTNGQTDRSA-N 2 0 312.501 3.876 20 0 DHADRP COc1cccc2cc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)oc21 ZINC000914796069 1036343518 /nfs/dbraw/zinc/34/35/18/1036343518.db2.gz UXJFESHRNZTAPT-UHFFFAOYSA-N 2 0 324.424 3.793 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000613256914 1036354745 /nfs/dbraw/zinc/35/47/45/1036354745.db2.gz PGNYURGUULYUBY-GJYPPUQNSA-N 2 0 304.478 3.541 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1C ZINC000774498061 1036358721 /nfs/dbraw/zinc/35/87/21/1036358721.db2.gz QEKYDJONXNGQLH-INIZCTEOSA-N 2 0 316.489 3.837 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000541590284 1036380362 /nfs/dbraw/zinc/38/03/62/1036380362.db2.gz UHEXIEFELHSIJJ-UHFFFAOYSA-N 2 0 318.505 3.646 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000159799043 1036458331 /nfs/dbraw/zinc/45/83/31/1036458331.db2.gz NIUSVWPKYZWGTK-UHFFFAOYSA-N 2 0 306.812 3.831 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1C ZINC001182816339 1036464095 /nfs/dbraw/zinc/46/40/95/1036464095.db2.gz JVAVDNWOASKDFO-UHFFFAOYSA-N 2 0 302.506 3.946 20 0 DHADRP C[C@H]1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)C[C@@H](C)C1 ZINC001182817154 1036464275 /nfs/dbraw/zinc/46/42/75/1036464275.db2.gz RERWLTDTBTZOKB-KMDXPDORSA-N 2 0 322.537 3.682 20 0 DHADRP CCCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046635 1036505816 /nfs/dbraw/zinc/50/58/16/1036505816.db2.gz YIFCXPBQIDVVAB-XDQVBPFNSA-N 2 0 312.910 3.967 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196631455 1036582184 /nfs/dbraw/zinc/58/21/84/1036582184.db2.gz GBEJTHTXUHCAGO-BVGQSLNGSA-N 2 0 324.415 3.623 20 0 DHADRP C[C@H](CNCc1cc(C(F)(F)F)ccc1Cl)C[NH+](C)C ZINC000491559094 1036595696 /nfs/dbraw/zinc/59/56/96/1036595696.db2.gz IIRGYXWIODKDDI-SNVBAGLBSA-N 2 0 308.775 3.646 20 0 DHADRP Clc1ccc(SCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000160051067 1036601005 /nfs/dbraw/zinc/60/10/05/1036601005.db2.gz VEIMUBZXRDDLKZ-UHFFFAOYSA-N 2 0 324.921 3.896 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000495407951 1036614734 /nfs/dbraw/zinc/61/47/34/1036614734.db2.gz KJBCQMRYEDPIRT-PKOBYXMFSA-N 2 0 300.490 3.719 20 0 DHADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCSc3ccccc3Cl)C[C@@H]2C1 ZINC001196782473 1036621363 /nfs/dbraw/zinc/62/13/63/1036621363.db2.gz RLXGTFNACPVGJD-CABCVRRESA-N 2 0 324.921 3.706 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC1(C)C ZINC000487273879 1036630431 /nfs/dbraw/zinc/63/04/31/1036630431.db2.gz NTKKRMSGQUIRLN-QXAKKESOSA-N 2 0 300.490 3.575 20 0 DHADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001196888784 1036632306 /nfs/dbraw/zinc/63/23/06/1036632306.db2.gz OVOXNGLQRXXSLG-AXVVYFOYSA-N 2 0 316.489 3.574 20 0 DHADRP CN(CC1=CCSC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000668774598 1036647603 /nfs/dbraw/zinc/64/76/03/1036647603.db2.gz DOXWPAYQKZCGAL-UHFFFAOYSA-N 2 0 318.530 3.750 20 0 DHADRP C[C@@H](CC[NH2+]C/C=C/c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000487309111 1036650980 /nfs/dbraw/zinc/65/09/80/1036650980.db2.gz NFELPCMJDHQTMH-YOCVDRLZSA-N 2 0 309.457 3.595 20 0 DHADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134897 1036747106 /nfs/dbraw/zinc/74/71/06/1036747106.db2.gz JMEPLTJCZVPXTJ-WMZOPIPTSA-N 2 0 300.490 3.674 20 0 DHADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c(C)c1Cl ZINC001235132473 1036804052 /nfs/dbraw/zinc/80/40/52/1036804052.db2.gz KJWAKBXWSJKIJQ-UHFFFAOYSA-N 2 0 306.881 3.922 20 0 DHADRP CC[NH+](CC)CC[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC001184417385 1036842160 /nfs/dbraw/zinc/84/21/60/1036842160.db2.gz CRFAXEBZCPULPT-HBFSDRIKSA-N 2 0 323.569 3.740 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001198450177 1037022838 /nfs/dbraw/zinc/02/28/38/1037022838.db2.gz LOZYBAZVQHWCRD-LJQANCHMSA-N 2 0 311.473 3.832 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488446240 1037029157 /nfs/dbraw/zinc/02/91/57/1037029157.db2.gz JXHSTUCKGJBLAE-AEFFLSMTSA-N 2 0 310.551 3.903 20 0 DHADRP Cc1ccc(Cl)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1Cl ZINC001235340581 1037049084 /nfs/dbraw/zinc/04/90/84/1037049084.db2.gz RDSOYDZODVCZQU-UHFFFAOYSA-N 2 0 313.272 3.733 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C12CCCC2 ZINC000315816608 1037059257 /nfs/dbraw/zinc/05/92/57/1037059257.db2.gz IZTPSUWRZZPTQX-OKZBNKHCSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309668139 1037167559 /nfs/dbraw/zinc/16/75/59/1037167559.db2.gz QYXRHZJFIXRABN-BHIYHBOVSA-N 2 0 300.490 3.923 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001198952796 1037173867 /nfs/dbraw/zinc/17/38/67/1037173867.db2.gz YWLZYGZUFCQSHM-HZPDHXFCSA-N 2 0 304.478 3.610 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000309949319 1037194666 /nfs/dbraw/zinc/19/46/66/1037194666.db2.gz FIAPBCZYMWFPDJ-OALUTQOASA-N 2 0 318.530 3.774 20 0 DHADRP c1csc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000309973772 1037198093 /nfs/dbraw/zinc/19/80/93/1037198093.db2.gz PLYQLKAAINSFOQ-MSOLQXFVSA-N 2 0 312.482 3.702 20 0 DHADRP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000309973773 1037198982 /nfs/dbraw/zinc/19/89/82/1037198982.db2.gz PLYQLKAAINSFOQ-QZTJIDSGSA-N 2 0 312.482 3.702 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310003470 1037202015 /nfs/dbraw/zinc/20/20/15/1037202015.db2.gz GINOZPZHPFTDHN-QRQLOZEOSA-N 2 0 318.530 3.630 20 0 DHADRP FC(F)Sc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001199197049 1037213691 /nfs/dbraw/zinc/21/36/91/1037213691.db2.gz FAPAEYLTZYXVQA-CYBMUJFWSA-N 2 0 312.429 3.575 20 0 DHADRP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000322580976 1037220558 /nfs/dbraw/zinc/22/05/58/1037220558.db2.gz HQVXLRKQLREKJA-DLBZAZTESA-N 2 0 310.441 3.565 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCC=CO2)CC1)CC1CC1 ZINC000774943175 1037247904 /nfs/dbraw/zinc/24/79/04/1037247904.db2.gz VWXJKMJCXKGAQG-LJQANCHMSA-N 2 0 306.494 3.513 20 0 DHADRP CC(C)(C)[NH+]1CCC(NCc2cc(Cl)cc3c2OCC3)CC1 ZINC001199419811 1037257182 /nfs/dbraw/zinc/25/71/82/1037257182.db2.gz CMOKEEGPRCYNCD-UHFFFAOYSA-N 2 0 322.880 3.627 20 0 DHADRP Fc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355554 1037276388 /nfs/dbraw/zinc/27/63/88/1037276388.db2.gz JTRXBWFXAOSCTJ-IBGZPJMESA-N 2 0 302.437 3.525 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)C[NH+]1CCCCC1 ZINC001199580946 1037284041 /nfs/dbraw/zinc/28/40/41/1037284041.db2.gz DNEYNKAPCZAXDF-XLIONFOSSA-N 2 0 300.490 3.646 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)C[NH+]1CCCCC1 ZINC001199580945 1037284858 /nfs/dbraw/zinc/28/48/58/1037284858.db2.gz DNEYNKAPCZAXDF-PXNSSMCTSA-N 2 0 300.490 3.646 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000774965191 1037298954 /nfs/dbraw/zinc/29/89/54/1037298954.db2.gz YEQQMMONZNOZOJ-PXNSSMCTSA-N 2 0 314.473 3.843 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cnn1C(C)C ZINC000658355768 1037324790 /nfs/dbraw/zinc/32/47/90/1037324790.db2.gz KKEJZNJJRQFRTM-OAHLLOKOSA-N 2 0 318.509 3.545 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C[C@@H]2CCC=CO2)C[N@@H+]1Cc1ccccc1 ZINC000775035523 1037447952 /nfs/dbraw/zinc/44/79/52/1037447952.db2.gz ZWRSJFTYRRAAQH-HOJAQTOUSA-N 2 0 314.473 3.569 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC001200872506 1037454449 /nfs/dbraw/zinc/45/44/49/1037454449.db2.gz PWMKKBQLLQQIKJ-OALUTQOASA-N 2 0 310.526 3.538 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000088549787 1037454709 /nfs/dbraw/zinc/45/47/09/1037454709.db2.gz YSGRRHVTPOIKKD-QGZVFWFLSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397798159 1037528767 /nfs/dbraw/zinc/52/87/67/1037528767.db2.gz FEKXQPFGZZKGRW-NBMJBFSESA-N 2 0 300.490 3.921 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493883636 1037581671 /nfs/dbraw/zinc/58/16/71/1037581671.db2.gz QMXQBJLIOQQMOA-AKHDSKFASA-N 2 0 320.521 3.578 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000493945417 1037603432 /nfs/dbraw/zinc/60/34/32/1037603432.db2.gz QYLABNCHMNPCMG-LMMKCTJWSA-N 2 0 304.478 3.617 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493967542 1037612481 /nfs/dbraw/zinc/61/24/81/1037612481.db2.gz HJJCFFWOHSDDGE-UHFFFAOYSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@@H](c1ccccc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182952170 1037681929 /nfs/dbraw/zinc/68/19/29/1037681929.db2.gz IATBBDDZWMQCHT-SFHVURJKSA-N 2 0 316.489 3.572 20 0 DHADRP CC[NH+](CC)CCCN1CC[NH+](C[C@@H](C)CCC=C(C)C)CC1 ZINC001201491064 1037710274 /nfs/dbraw/zinc/71/02/74/1037710274.db2.gz QCXPOIMDUPHPNM-FQEVSTJZSA-N 2 0 323.569 3.718 20 0 DHADRP CC[C@H](C)C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001201503113 1037724801 /nfs/dbraw/zinc/72/48/01/1037724801.db2.gz NUJPPJBUKBBAIV-KRWDZBQOSA-N 2 0 315.505 3.804 20 0 DHADRP CC(C)C[NH+]1CCC(NCc2ccccc2OC(C)C)CC1 ZINC000075760888 1037754421 /nfs/dbraw/zinc/75/44/21/1037754421.db2.gz UOKSHAYERPQATG-UHFFFAOYSA-N 2 0 304.478 3.684 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000638151598 1037779516 /nfs/dbraw/zinc/77/95/16/1037779516.db2.gz DRMOSAADVNYUMO-PKOBYXMFSA-N 2 0 308.510 3.532 20 0 DHADRP CCCCCC[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001201757369 1037880655 /nfs/dbraw/zinc/88/06/55/1037880655.db2.gz WIUKEPKAHSSRQF-UHFFFAOYSA-N 2 0 311.558 3.696 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)CSc2ccc(C)cc2)CC1 ZINC000186470906 1037908272 /nfs/dbraw/zinc/90/82/72/1037908272.db2.gz CWXSTMXEQAHVTG-INIZCTEOSA-N 2 0 306.519 3.940 20 0 DHADRP Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000775168812 1037914756 /nfs/dbraw/zinc/91/47/56/1037914756.db2.gz SDXRJKMOQVXMCE-UHFFFAOYSA-N 2 0 300.421 3.828 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000044517764 1037935721 /nfs/dbraw/zinc/93/57/21/1037935721.db2.gz DLJAGBRCPIUNTO-UHFFFAOYSA-N 2 0 318.433 3.557 20 0 DHADRP CC(C)[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000570886380 1037936633 /nfs/dbraw/zinc/93/66/33/1037936633.db2.gz VHHUSNJUEKUPFR-XNMUZJSGSA-N 2 0 300.490 3.983 20 0 DHADRP CSCc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000586795529 1037977908 /nfs/dbraw/zinc/97/79/08/1037977908.db2.gz PWEQUNBIMITMJC-UHFFFAOYSA-N 2 0 304.503 3.514 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c2ccccc12 ZINC000126227580 1038049017 /nfs/dbraw/zinc/04/90/17/1038049017.db2.gz DFLYLIGVUSRGHU-HNNXBMFYSA-N 2 0 312.457 3.841 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)s2)cc1 ZINC000571226406 1038115168 /nfs/dbraw/zinc/11/51/68/1038115168.db2.gz OOEVMKHGYYXNIF-LSDHHAIUSA-N 2 0 316.470 3.783 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000571735992 1038200096 /nfs/dbraw/zinc/20/00/96/1038200096.db2.gz WPIDDDGLDYNMPL-QGZVFWFLSA-N 2 0 322.880 3.875 20 0 DHADRP CC[C@@H](C)[N@@H+](CCc1ccccc1F)CC[C@H]1CCC[NH+]1C ZINC001190626748 1038358669 /nfs/dbraw/zinc/35/86/69/1038358669.db2.gz CEUJTKGXKNUERE-SJLPKXTDSA-N 2 0 306.469 3.953 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cncc(C[NH+]3C[C@@H](C)C[C@H]3C)c2)C1 ZINC000572453921 1038380203 /nfs/dbraw/zinc/38/02/03/1038380203.db2.gz WMRJRQDQNHQEHC-ZYGGUILKSA-N 2 0 301.478 3.542 20 0 DHADRP CCCc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000589325640 1038459589 /nfs/dbraw/zinc/45/95/89/1038459589.db2.gz VZWPOUKIGIUAJD-UHFFFAOYSA-N 2 0 306.519 3.556 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000589348033 1038467326 /nfs/dbraw/zinc/46/73/26/1038467326.db2.gz GBYPECXTCCIOLS-OAHLLOKOSA-N 2 0 322.518 3.563 20 0 DHADRP C[C@@H](COCc1ccccc1)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001191260066 1038469930 /nfs/dbraw/zinc/46/99/30/1038469930.db2.gz ZCHUFOFJALHWSK-QUCCMNQESA-N 2 0 318.505 3.646 20 0 DHADRP CO[C@@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C1CCC1 ZINC001191550851 1038520705 /nfs/dbraw/zinc/52/07/05/1038520705.db2.gz NKFAWOQOGRIEOK-XLIONFOSSA-N 2 0 322.537 3.778 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](CCCC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629653418 1038610825 /nfs/dbraw/zinc/61/08/25/1038610825.db2.gz HAHQIEOCEAABDW-CABCVRRESA-N 2 0 306.416 3.806 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2c(F)cccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603021 1038675644 /nfs/dbraw/zinc/67/56/44/1038675644.db2.gz MUDASNYMBGTBRO-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205604009 1038684183 /nfs/dbraw/zinc/68/41/83/1038684183.db2.gz UDOUZTQHVCPAEO-AAEUAGOBSA-N 2 0 318.358 3.651 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000590786317 1038705600 /nfs/dbraw/zinc/70/56/00/1038705600.db2.gz QDMAFGMPCUIORT-PKOBYXMFSA-N 2 0 310.526 3.634 20 0 DHADRP CSC1(C[NH2+]C(CC(C)C)CC(C)C)CC[NH+](C)CC1 ZINC000573194726 1038822123 /nfs/dbraw/zinc/82/21/23/1038822123.db2.gz BIKHEASKOQFPRW-UHFFFAOYSA-N 2 0 300.556 3.864 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000760874895 1038966301 /nfs/dbraw/zinc/96/63/01/1038966301.db2.gz FBHLDBRTUVJOGV-IBGZPJMESA-N 2 0 304.453 3.880 20 0 DHADRP CCC[C@@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000591710522 1038969144 /nfs/dbraw/zinc/96/91/44/1038969144.db2.gz HAKOCLXCDHMEPC-GOSISDBHSA-N 2 0 304.478 3.830 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCc2cc(F)ccc2C1)CC(C)(C)CC[NH3+] ZINC001168414583 1038981904 /nfs/dbraw/zinc/98/19/04/1038981904.db2.gz GVLTXNUTVBHKPE-KDOFPFPSSA-N 2 0 306.469 3.674 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCC2(OC)CCC2)CC1 ZINC000573694882 1039056648 /nfs/dbraw/zinc/05/66/48/1039056648.db2.gz YUJVTDWXZFMBHO-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP C[C@H](CNc1cc[nH+]c2ccccc12)[N@@H+]1CCc2sccc2C1 ZINC000599457286 1039161080 /nfs/dbraw/zinc/16/10/80/1039161080.db2.gz OALGUWTZXUIUIM-CQSZACIVSA-N 2 0 323.465 3.577 20 0 DHADRP CSC1(C[NH2+][C@H](CC(C)C)c2ccncc2)CC[NH+](C)CC1 ZINC000592390283 1039186230 /nfs/dbraw/zinc/18/62/30/1039186230.db2.gz NZONSXZPWOWIJH-QGZVFWFLSA-N 2 0 321.534 3.586 20 0 DHADRP CC(C)Oc1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000069173119 1039288643 /nfs/dbraw/zinc/28/86/43/1039288643.db2.gz GMUSCWUXOZMLEX-UHFFFAOYSA-N 2 0 304.478 3.638 20 0 DHADRP CSC1(C[NH2+]CC[C@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000574092768 1039404959 /nfs/dbraw/zinc/40/49/59/1039404959.db2.gz YECRIGQMELLPTK-INIZCTEOSA-N 2 0 306.519 3.597 20 0 DHADRP C[C@H](CSCCF)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000595005452 1040016207 /nfs/dbraw/zinc/01/62/07/1040016207.db2.gz ZJZWQBWGWXOYEP-MRXNPFEDSA-N 2 0 324.509 3.853 20 0 DHADRP Clc1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606902955 1040032768 /nfs/dbraw/zinc/03/27/68/1040032768.db2.gz JXMSMXTYGKEKCK-INIZCTEOSA-N 2 0 322.880 3.527 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1CC[NH2+]CC1 ZINC000574868575 1040061567 /nfs/dbraw/zinc/06/15/67/1040061567.db2.gz DBGUDYYYPKZXPH-NSHDSACASA-N 2 0 301.261 3.514 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000575030683 1040118470 /nfs/dbraw/zinc/11/84/70/1040118470.db2.gz QKOHMKWVHZTXNL-ZDUSSCGKSA-N 2 0 312.910 3.818 20 0 DHADRP CCc1ccc(CN2CCC([NH+]3CCC(F)CC3)CC2)s1 ZINC001231502583 1040281320 /nfs/dbraw/zinc/28/13/20/1040281320.db2.gz NYESZVQMLYIDTG-UHFFFAOYSA-N 2 0 310.482 3.709 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nsc3ccccc32)C[C@@H]1C ZINC000659983662 1040557006 /nfs/dbraw/zinc/55/70/06/1040557006.db2.gz RZIJKPLVUWEAGQ-LSDHHAIUSA-N 2 0 317.502 3.643 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000623491478 1040861787 /nfs/dbraw/zinc/86/17/87/1040861787.db2.gz WDMFSBSTYNZPLV-FGTMMUONSA-N 2 0 320.452 3.508 20 0 DHADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cccnc1 ZINC000092767894 185339114 /nfs/dbraw/zinc/33/91/14/185339114.db2.gz LACDYRHGZRJTNC-KURKYZTESA-N 2 0 323.484 3.889 20 0 DHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000092856900 185346913 /nfs/dbraw/zinc/34/69/13/185346913.db2.gz MJECDMYSOVTZMY-OAHLLOKOSA-N 2 0 313.420 3.788 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000019986594 182173649 /nfs/dbraw/zinc/17/36/49/182173649.db2.gz KMXGXUOCLSIYNL-LBPRGKRZSA-N 2 0 302.384 3.944 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc2c(c1)COC2 ZINC000273310460 130104864 /nfs/dbraw/zinc/10/48/64/130104864.db2.gz WMFDNFXRNOIFLQ-JKSUJKDBSA-N 2 0 302.462 3.632 20 0 DHADRP C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336855 130107525 /nfs/dbraw/zinc/10/75/25/130107525.db2.gz VIPIFJMBVJWEIR-HOCLYGCPSA-N 2 0 315.486 3.945 20 0 DHADRP c1[nH]c2ncccc2c1C1=CCN(CCC[NH+]2CCCCC2)CC1 ZINC000274888594 130270643 /nfs/dbraw/zinc/27/06/43/130270643.db2.gz ZENBIEKAKHMUPM-UHFFFAOYSA-N 2 0 324.472 3.528 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cn1 ZINC000274937676 130276304 /nfs/dbraw/zinc/27/63/04/130276304.db2.gz SGNAFLKACCMUHA-CYBMUJFWSA-N 2 0 303.837 3.647 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc2n1 ZINC000275641469 130354738 /nfs/dbraw/zinc/35/47/38/130354738.db2.gz SCOFGWVQVADYAY-UHFFFAOYSA-N 2 0 309.457 3.650 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000278527688 130698340 /nfs/dbraw/zinc/69/83/40/130698340.db2.gz TVFCISUWNHGSPP-FQEVSTJZSA-N 2 0 314.473 3.537 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280915028 130827089 /nfs/dbraw/zinc/82/70/89/130827089.db2.gz QRQUIVDXTWEPGN-LJQANCHMSA-N 2 0 301.478 3.634 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)no1 ZINC000284127969 131051014 /nfs/dbraw/zinc/05/10/14/131051014.db2.gz OCHXFHJFGWONJN-CQSZACIVSA-N 2 0 319.474 3.607 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000284196079 131057617 /nfs/dbraw/zinc/05/76/17/131057617.db2.gz GIJYOLYQAVOQNC-OLZOCXBDSA-N 2 0 300.899 3.797 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000284293180 131067908 /nfs/dbraw/zinc/06/79/08/131067908.db2.gz IHHLVYKUKGRZOE-OAHLLOKOSA-N 2 0 314.429 3.603 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCSCC2)CC1 ZINC000286094055 131219794 /nfs/dbraw/zinc/21/97/94/131219794.db2.gz MXYLNRZGTMTPFT-UHFFFAOYSA-N 2 0 318.530 3.915 20 0 DHADRP c1cc2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)ccc2o1 ZINC000286138904 131221288 /nfs/dbraw/zinc/22/12/88/131221288.db2.gz VLLCUVUKEKHTDM-UHFFFAOYSA-N 2 0 321.424 3.834 20 0 DHADRP Cc1ccnc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000286314560 131229481 /nfs/dbraw/zinc/22/94/81/131229481.db2.gz XGKVRFPVXQUEMI-KRWDZBQOSA-N 2 0 303.494 3.799 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000297490261 132018861 /nfs/dbraw/zinc/01/88/61/132018861.db2.gz KLEFKBSVUKSETN-LSDHHAIUSA-N 2 0 309.413 3.625 20 0 DHADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298505002 132066368 /nfs/dbraw/zinc/06/63/68/132066368.db2.gz QPYAFIDKFBEOFK-IBGZPJMESA-N 2 0 323.440 3.554 20 0 DHADRP CSC1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000353619277 132133666 /nfs/dbraw/zinc/13/36/66/132133666.db2.gz GWYMRVBAFGWSIZ-UHFFFAOYSA-N 2 0 324.456 3.525 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000119957719 132138517 /nfs/dbraw/zinc/13/85/17/132138517.db2.gz CUTBYXBJHYQNGX-HOTGVXAUSA-N 2 0 316.493 3.734 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000120149213 132139150 /nfs/dbraw/zinc/13/91/50/132139150.db2.gz VLXIWPKMCRFPTQ-HOTGVXAUSA-N 2 0 319.493 3.806 20 0 DHADRP CCC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000353640501 132154922 /nfs/dbraw/zinc/15/49/22/132154922.db2.gz HHGIQVYLVFIRDR-QGZVFWFLSA-N 2 0 306.519 3.945 20 0 DHADRP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCn2ccnc2)o1 ZINC000343317124 335070272 /nfs/dbraw/zinc/07/02/72/335070272.db2.gz CALGGYXWGBEFAI-RDJZCZTQSA-N 2 0 301.434 3.902 20 0 DHADRP COC[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000525874093 335088127 /nfs/dbraw/zinc/08/81/27/335088127.db2.gz DIAIQGOYOXAEQA-FGTMMUONSA-N 2 0 318.505 3.537 20 0 DHADRP Clc1ccc(-c2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000570543105 332771597 /nfs/dbraw/zinc/77/15/97/332771597.db2.gz GBBMCOXQYLGQRI-GFCCVEGCSA-N 2 0 321.877 3.553 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000570683562 332799928 /nfs/dbraw/zinc/79/99/28/332799928.db2.gz VYOXZKUASSBRPQ-GFCCVEGCSA-N 2 0 304.821 3.658 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000171126319 332854389 /nfs/dbraw/zinc/85/43/89/332854389.db2.gz GICFHWUKDSVALV-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP CCC1CC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000556588798 331718803 /nfs/dbraw/zinc/71/88/03/331718803.db2.gz INXUKLFJCZSDDD-VPRUJKLYSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCCSC3)CC2)C1 ZINC000558238217 331885987 /nfs/dbraw/zinc/88/59/87/331885987.db2.gz PHBDMCGNIVRSEI-RYRKJORJSA-N 2 0 310.551 3.762 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000262057293 331915621 /nfs/dbraw/zinc/91/56/21/331915621.db2.gz DNGIVRLIDHHSAH-OWCLPIDISA-N 2 0 312.379 3.716 20 0 DHADRP COc1ccc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000261758623 331984613 /nfs/dbraw/zinc/98/46/13/331984613.db2.gz VNEZUJFPMUTQOD-NRFANRHFSA-N 2 0 324.468 3.812 20 0 DHADRP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000559232750 331997302 /nfs/dbraw/zinc/99/73/02/331997302.db2.gz OHKIEQKLCCGUAY-UHFFFAOYSA-N 2 0 302.849 4.000 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127869457 332008293 /nfs/dbraw/zinc/00/82/93/332008293.db2.gz WMJRKQVDGZQOQD-RYQLBKOJSA-N 2 0 302.462 3.751 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc3nc(C)sc3c2)C1 ZINC000426409661 332126183 /nfs/dbraw/zinc/12/61/83/332126183.db2.gz FXOCXLHZTNKZMF-INIZCTEOSA-N 2 0 317.502 3.768 20 0 DHADRP CC(C)c1ccc(OC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000518739407 332140014 /nfs/dbraw/zinc/14/00/14/332140014.db2.gz FUUSYSQJPXNGJB-QGZVFWFLSA-N 2 0 316.489 3.653 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000426058166 335094273 /nfs/dbraw/zinc/09/42/73/335094273.db2.gz AFNREKMDJCTANZ-RHSMWYFYSA-N 2 0 322.443 3.706 20 0 DHADRP CC1(C)OCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000559752336 332278911 /nfs/dbraw/zinc/27/89/11/332278911.db2.gz FXLWEEBJUSFKQD-LJQANCHMSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000559767119 332280163 /nfs/dbraw/zinc/28/01/63/332280163.db2.gz PYGGSYDYQKNCNZ-HUUCEWRRSA-N 2 0 300.421 3.971 20 0 DHADRP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000262111027 332286254 /nfs/dbraw/zinc/28/62/54/332286254.db2.gz JTQUZKVLYMJHNG-FVQBIDKESA-N 2 0 312.379 3.716 20 0 DHADRP CCOC1(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CCCC1 ZINC000559892772 332290058 /nfs/dbraw/zinc/29/00/58/332290058.db2.gz ZDRFRKDZTMNPGE-OALUTQOASA-N 2 0 316.489 3.761 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cn1 ZINC000564959124 332296370 /nfs/dbraw/zinc/29/63/70/332296370.db2.gz NWNKNXNNMIAUAS-FQEVSTJZSA-N 2 0 321.468 3.677 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000560530315 332352487 /nfs/dbraw/zinc/35/24/87/332352487.db2.gz XXCRGFTXJNMWFH-AQNXPRMDSA-N 2 0 316.489 3.684 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000560544508 332356479 /nfs/dbraw/zinc/35/64/79/332356479.db2.gz OTGMBWRWQIPLCG-CSODTCANSA-N 2 0 304.453 3.924 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000583415721 332394362 /nfs/dbraw/zinc/39/43/62/332394362.db2.gz BODNOZTZDXJYAQ-VWYCLODISA-N 2 0 322.537 3.824 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000525709649 332688982 /nfs/dbraw/zinc/68/89/82/332688982.db2.gz XVQJACXUAATDLH-UHFFFAOYSA-N 2 0 312.457 3.794 20 0 DHADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000178244782 333005514 /nfs/dbraw/zinc/00/55/14/333005514.db2.gz GTTGERYUYUAHIS-OAHLLOKOSA-N 2 0 323.440 3.554 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]CCC3CC[NH+](C)CC3)oc21 ZINC000181698948 333031166 /nfs/dbraw/zinc/03/11/66/333031166.db2.gz CBHMBRGDBIIPCJ-AWEZNQCLSA-N 2 0 316.445 3.824 20 0 DHADRP Cc1c(Cl)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)nc2ccccc12 ZINC000261921968 333051832 /nfs/dbraw/zinc/05/18/32/333051832.db2.gz HYXMFBWAEIETCW-CYBMUJFWSA-N 2 0 317.864 3.756 20 0 DHADRP C[N@@H+]1CCC[C@H](CNCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189179619 333065433 /nfs/dbraw/zinc/06/54/33/333065433.db2.gz USAWXFNFBREVGG-LLVKDONJSA-N 2 0 320.786 3.790 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(F)c2)c1 ZINC000065976619 335119935 /nfs/dbraw/zinc/11/99/35/335119935.db2.gz CHZZAGIUPKVMTB-UHFFFAOYSA-N 2 0 300.421 3.956 20 0 DHADRP C[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000314461445 333125320 /nfs/dbraw/zinc/12/53/20/333125320.db2.gz AYXRJDHKZUMFBC-AWEZNQCLSA-N 2 0 314.395 3.917 20 0 DHADRP CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000501023509 333263210 /nfs/dbraw/zinc/26/32/10/333263210.db2.gz MTMVGRVBPBULDN-HZPDHXFCSA-N 2 0 321.484 3.807 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000319145846 333264000 /nfs/dbraw/zinc/26/40/00/333264000.db2.gz VLBRSDXKBKEXBU-UHFFFAOYSA-N 2 0 318.358 3.666 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000497824461 333297643 /nfs/dbraw/zinc/29/76/43/333297643.db2.gz ZTJXSROTUVBFBZ-GOSISDBHSA-N 2 0 307.457 3.629 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCOCc2ccccc2)c2ccccc21 ZINC000390598209 333304469 /nfs/dbraw/zinc/30/44/69/333304469.db2.gz UYVOHSHXCQGMGG-UXHICEINSA-N 2 0 310.441 3.718 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000390738824 333322361 /nfs/dbraw/zinc/32/23/61/333322361.db2.gz AKMGLLFLINTSAA-CEXWTWQISA-N 2 0 318.530 3.628 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000319605982 333322567 /nfs/dbraw/zinc/32/25/67/333322567.db2.gz LYFJSAJSVCQASU-MRXNPFEDSA-N 2 0 300.490 3.948 20 0 DHADRP C[C@H]1C[C@H](NCc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000531213521 333335007 /nfs/dbraw/zinc/33/50/07/333335007.db2.gz YLHMWPNYNLFNLM-DZGCQCFKSA-N 2 0 307.507 3.763 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2cccc(Cl)c2)C[C@@H]1C ZINC000531378376 333347671 /nfs/dbraw/zinc/34/76/71/333347671.db2.gz FBZXAOJFBLABCB-RDJZCZTQSA-N 2 0 324.896 3.914 20 0 DHADRP C[C@H]1C[C@@H]([N@H+](C)CCc2cc(Cl)ccc2Cl)CCN1C ZINC000488426975 333376208 /nfs/dbraw/zinc/37/62/08/333376208.db2.gz JBBFJGSNPMRSFR-WFASDCNBSA-N 2 0 315.288 3.950 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CS1 ZINC000488455675 333379674 /nfs/dbraw/zinc/37/96/74/333379674.db2.gz FSOCIBYUTKTIHK-ZWKOTPCHSA-N 2 0 306.519 3.628 20 0 DHADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000563136210 333395978 /nfs/dbraw/zinc/39/59/78/333395978.db2.gz LUIKDMFPPQFSPO-QGZVFWFLSA-N 2 0 304.821 3.771 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000517065753 333569771 /nfs/dbraw/zinc/56/97/71/333569771.db2.gz AAGIMHJGPMVFFL-HXUWFJFHSA-N 2 0 300.490 3.638 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000261674252 333649112 /nfs/dbraw/zinc/64/91/12/333649112.db2.gz HMUGFWMDDSOOQH-YESZJQIVSA-N 2 0 324.415 3.688 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCOC1 ZINC000411540344 333690733 /nfs/dbraw/zinc/69/07/33/333690733.db2.gz VGWMSCDVZVWUFD-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000571416896 333787900 /nfs/dbraw/zinc/78/79/00/333787900.db2.gz IPKOWAFCUIWBKV-NXHRZFHOSA-N 2 0 304.478 3.654 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)ccc12 ZINC000414186166 333910782 /nfs/dbraw/zinc/91/07/82/333910782.db2.gz PBHWOOMVVWWIIC-GOSISDBHSA-N 2 0 319.408 3.870 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC000414514706 334003928 /nfs/dbraw/zinc/00/39/28/334003928.db2.gz MDUDDFHYIMJOFB-ZIFCJYIRSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000414649811 334054658 /nfs/dbraw/zinc/05/46/58/334054658.db2.gz ALJMERRYVMRAQC-LEWJYISDSA-N 2 0 312.501 3.961 20 0 DHADRP C[NH2+]CCC1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000414655614 334056315 /nfs/dbraw/zinc/05/63/15/334056315.db2.gz DJPGCXHMJYSMFH-WOJBJXKFSA-N 2 0 300.490 3.818 20 0 DHADRP C[NH2+]CC1CC[NH+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000414674132 334066004 /nfs/dbraw/zinc/06/60/04/334066004.db2.gz PISGXYCNHYATKL-CYBMUJFWSA-N 2 0 314.395 3.740 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414706069 334072005 /nfs/dbraw/zinc/07/20/05/334072005.db2.gz OITOMMHQESNROF-KONPQCLYSA-N 2 0 304.503 3.553 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414710316 334072528 /nfs/dbraw/zinc/07/25/28/334072528.db2.gz RUXVHNKCJYULNI-JKIFEVAISA-N 2 0 324.921 3.818 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414712052 334072918 /nfs/dbraw/zinc/07/29/18/334072918.db2.gz UFPQHNKQBCJPRC-SNPRPXQTSA-N 2 0 309.523 3.956 20 0 DHADRP CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000414718536 334073447 /nfs/dbraw/zinc/07/34/47/334073447.db2.gz RYOZJXLYWAFPBI-AWEZNQCLSA-N 2 0 318.358 3.809 20 0 DHADRP CC1CCC(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000414720196 334074025 /nfs/dbraw/zinc/07/40/25/334074025.db2.gz XNAYKURTDOPEBI-AFMYVXGZSA-N 2 0 315.505 3.852 20 0 DHADRP C[N@H+](Cc1cc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000414748031 334084342 /nfs/dbraw/zinc/08/43/42/334084342.db2.gz HUURJYQDMLQLHD-QGZVFWFLSA-N 2 0 300.471 3.989 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)CC[NH2+]1 ZINC000414760104 334086856 /nfs/dbraw/zinc/08/68/56/334086856.db2.gz XUBJLWBXMXAODJ-INMHGKMJSA-N 2 0 313.445 3.743 20 0 DHADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(-c2ccncc2)c1 ZINC000414789212 334097132 /nfs/dbraw/zinc/09/71/32/334097132.db2.gz YAESVCQPLZQLSL-NHCUHLMSSA-N 2 0 321.468 3.570 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414797917 334101003 /nfs/dbraw/zinc/10/10/03/334101003.db2.gz PUPONBLXYUNEBW-OAHLLOKOSA-N 2 0 302.384 3.601 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801330 334101986 /nfs/dbraw/zinc/10/19/86/334101986.db2.gz TZMPJLPKXFHZRG-ARFHVFGLSA-N 2 0 314.395 3.914 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000414806749 334104576 /nfs/dbraw/zinc/10/45/76/334104576.db2.gz ICPPKDAGTQXMIN-LBPRGKRZSA-N 2 0 319.246 3.759 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]CCSCc2ccccc2)cc1 ZINC000414809833 334104734 /nfs/dbraw/zinc/10/47/34/334104734.db2.gz HCAZCZGHFAHWLK-HNNXBMFYSA-N 2 0 300.471 3.729 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414808173 334104820 /nfs/dbraw/zinc/10/48/20/334104820.db2.gz KOKIOIRAOUONAN-LBPRGKRZSA-N 2 0 302.384 3.744 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000414809883 334104836 /nfs/dbraw/zinc/10/48/36/334104836.db2.gz UUAQQIJQZBRVLJ-GFFQMZFXSA-N 2 0 316.489 3.829 20 0 DHADRP CCOc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000414808737 334104964 /nfs/dbraw/zinc/10/49/64/334104964.db2.gz FTSJZDXJPMABMW-CYBMUJFWSA-N 2 0 302.393 3.534 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000414811262 334105896 /nfs/dbraw/zinc/10/58/96/334105896.db2.gz PNXBMJDZFXSASC-LBPRGKRZSA-N 2 0 319.246 3.759 20 0 DHADRP CCCn1c(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nc2ccccc21 ZINC000414813434 334106208 /nfs/dbraw/zinc/10/62/08/334106208.db2.gz TTXAXYYRIFUPFV-OAHLLOKOSA-N 2 0 322.456 3.756 20 0 DHADRP Fc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1-c1cccs1 ZINC000414825391 334109237 /nfs/dbraw/zinc/10/92/37/334109237.db2.gz CDHNGZZLMJXAGV-ZDUSSCGKSA-N 2 0 304.434 3.643 20 0 DHADRP FC(F)(F)c1ccc(Cl)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414844381 334114287 /nfs/dbraw/zinc/11/42/87/334114287.db2.gz DPTRIDFQHPOQIQ-LLVKDONJSA-N 2 0 320.786 3.838 20 0 DHADRP c1ccc(CC(C[NH2+]CC[C@@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000414852285 334126357 /nfs/dbraw/zinc/12/63/57/334126357.db2.gz PQVOECJMNVPXEZ-NRFANRHFSA-N 2 0 322.496 3.677 20 0 DHADRP FC(F)c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000366835469 335178425 /nfs/dbraw/zinc/17/84/25/335178425.db2.gz WDDFPHZAMQYSDK-ZACQAIPSSA-N 2 0 306.400 3.540 20 0 DHADRP Cc1ccnc([C@@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000286248233 334152529 /nfs/dbraw/zinc/15/25/29/334152529.db2.gz UHAZAHRDKKLPOO-QUCCMNQESA-N 2 0 323.484 3.605 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414892067 334158398 /nfs/dbraw/zinc/15/83/98/334158398.db2.gz PFXSSCRUVLISQY-ZFWWWQNUSA-N 2 0 301.261 3.641 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414901543 334165470 /nfs/dbraw/zinc/16/54/70/334165470.db2.gz GDJNWIJWEHZANN-CJNGLKHVSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H](C[NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414907422 334170343 /nfs/dbraw/zinc/17/03/43/334170343.db2.gz QLZSBAVVEOMMBP-ZDUSSCGKSA-N 2 0 314.395 3.788 20 0 DHADRP CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]CC1 ZINC000414908698 334171766 /nfs/dbraw/zinc/17/17/66/334171766.db2.gz QSJJANMGRAUOIA-UHFFFAOYSA-N 2 0 324.468 3.745 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414912620 334174822 /nfs/dbraw/zinc/17/48/22/334174822.db2.gz VKOGWBJDVRGMPX-UHFFFAOYSA-N 2 0 324.468 3.842 20 0 DHADRP CC1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000414914751 334176193 /nfs/dbraw/zinc/17/61/93/334176193.db2.gz YCLBSPXKSCQJNI-DLBZAZTESA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414927777 334189989 /nfs/dbraw/zinc/18/99/89/334189989.db2.gz MLIJTECDHXPNIY-BJZITVGISA-N 2 0 301.478 3.547 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000414935901 334198504 /nfs/dbraw/zinc/19/85/04/334198504.db2.gz GHRZMAWZQZCXNN-KUHUBIRLSA-N 2 0 314.404 3.706 20 0 DHADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415082770 334272103 /nfs/dbraw/zinc/27/21/03/334272103.db2.gz MBTKWNVXMHFPRW-YESZJQIVSA-N 2 0 304.503 3.727 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414941259 334202439 /nfs/dbraw/zinc/20/24/39/334202439.db2.gz LHTJSQADSRLIFU-FIXISWKDSA-N 2 0 301.261 3.512 20 0 DHADRP COc1ccccc1[C@H](N[C@H](C)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000415083479 334272302 /nfs/dbraw/zinc/27/23/02/334272302.db2.gz FOWOCWZYDXZGOX-PLMTUMEDSA-N 2 0 324.468 3.905 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC[NH2+]1 ZINC000414943970 334203429 /nfs/dbraw/zinc/20/34/29/334203429.db2.gz FZYMWDOHUKMWKC-DOMZBBRYSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414944466 334204067 /nfs/dbraw/zinc/20/40/67/334204067.db2.gz GURXLRHHMYJTQN-ZENOOKHLSA-N 2 0 314.395 3.757 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414945958 334205244 /nfs/dbraw/zinc/20/52/44/334205244.db2.gz IZOMPWCNSROLKL-AVRDEDQJSA-N 2 0 322.496 3.818 20 0 DHADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415083335 334272468 /nfs/dbraw/zinc/27/24/68/334272468.db2.gz PTODDHRXWSZGNH-WOJBJXKFSA-N 2 0 324.468 3.847 20 0 DHADRP CC1([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC[NH2+]CC1 ZINC000414946895 334206204 /nfs/dbraw/zinc/20/62/04/334206204.db2.gz UVQGXWCUECCUQB-UHFFFAOYSA-N 2 0 304.434 3.786 20 0 DHADRP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415083017 334272498 /nfs/dbraw/zinc/27/24/98/334272498.db2.gz DUJOEYTWAUZTHM-GBESFXJTSA-N 2 0 314.473 3.628 20 0 DHADRP Cc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC000414959359 334210839 /nfs/dbraw/zinc/21/08/39/334210839.db2.gz FEZYNNPTOHLMRK-AWEZNQCLSA-N 2 0 300.368 3.636 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414961128 334212495 /nfs/dbraw/zinc/21/24/95/334212495.db2.gz RKOHOOYLWNEQMX-MLGOLLRUSA-N 2 0 304.434 3.642 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967836 334215329 /nfs/dbraw/zinc/21/53/29/334215329.db2.gz HSQGXMOMQCSZMJ-SWLSCSKDSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000295056938 334216456 /nfs/dbraw/zinc/21/64/56/334216456.db2.gz PYXYYTBBZMHLFQ-VEHMJYNQSA-N 2 0 313.489 3.631 20 0 DHADRP Fc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(Cl)c1Cl ZINC000414972759 334220527 /nfs/dbraw/zinc/22/05/27/334220527.db2.gz YDELLAXTFSLBPB-NSHDSACASA-N 2 0 305.224 3.754 20 0 DHADRP FC(F)(F)c1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000414978217 334224156 /nfs/dbraw/zinc/22/41/56/334224156.db2.gz STZCGRKESRYNLQ-GFCCVEGCSA-N 2 0 320.786 3.981 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(OC(F)F)cc1C ZINC000414988426 334229556 /nfs/dbraw/zinc/22/95/56/334229556.db2.gz FZIYPAAMVYTDBW-HIFRSBDPSA-N 2 0 312.404 3.512 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414992468 334231117 /nfs/dbraw/zinc/23/11/17/334231117.db2.gz KMRDOVCBWSAJIB-WFASDCNBSA-N 2 0 319.449 3.556 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414996225 334235359 /nfs/dbraw/zinc/23/53/59/334235359.db2.gz GHKRTTXBSMXGCD-SWLSCSKDSA-N 2 0 300.368 3.621 20 0 DHADRP C[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000296830011 334237024 /nfs/dbraw/zinc/23/70/24/334237024.db2.gz NSKAHOWSVPMXJY-CYBMUJFWSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000415003475 334241411 /nfs/dbraw/zinc/24/14/11/334241411.db2.gz NDZCJJRASQMMBK-AZUAARDMSA-N 2 0 312.432 3.617 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1OC(F)F ZINC000415086544 334275309 /nfs/dbraw/zinc/27/53/09/334275309.db2.gz RVLWJMAZPXKXSJ-GUTXKFCHSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415009336 334253246 /nfs/dbraw/zinc/25/32/46/334253246.db2.gz TXIOCQUGSPQOCR-AGIUHOORSA-N 2 0 300.899 3.830 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000187847467 334275788 /nfs/dbraw/zinc/27/57/88/334275788.db2.gz DFPHJCONJKZDFK-AWEZNQCLSA-N 2 0 311.404 3.855 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000415012031 334258407 /nfs/dbraw/zinc/25/84/07/334258407.db2.gz WUWSQIIELHWWCO-GXTWGEPZSA-N 2 0 300.368 3.621 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415016417 334258772 /nfs/dbraw/zinc/25/87/72/334258772.db2.gz PLBXOSBLDAAREW-JTQLQIEISA-N 2 0 308.775 3.966 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc1Oc1cccnc1 ZINC000415019041 334259079 /nfs/dbraw/zinc/25/90/79/334259079.db2.gz VKOOTBATZLBXHZ-INIZCTEOSA-N 2 0 313.445 3.789 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000415049736 334259121 /nfs/dbraw/zinc/25/91/21/334259121.db2.gz YANDEUQOCSTGPF-OCCSQVGLSA-N 2 0 304.434 3.771 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415024287 334259587 /nfs/dbraw/zinc/25/95/87/334259587.db2.gz OQPWSEROQXEHIF-AWEZNQCLSA-N 2 0 302.393 3.835 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415024293 334259682 /nfs/dbraw/zinc/25/96/82/334259682.db2.gz OQPWSEROQXEHIF-CQSZACIVSA-N 2 0 302.393 3.835 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026265 334259775 /nfs/dbraw/zinc/25/97/75/334259775.db2.gz SKAABSYQGNTMGC-WKILWMFISA-N 2 0 312.457 3.703 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000415028411 334260069 /nfs/dbraw/zinc/26/00/69/334260069.db2.gz CSRYRNRXFRPUAX-DOMZBBRYSA-N 2 0 304.434 3.771 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000415027853 334260106 /nfs/dbraw/zinc/26/01/06/334260106.db2.gz BSSZMZXARHEJGO-DOTOQJQBSA-N 2 0 314.404 3.835 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415037439 334260470 /nfs/dbraw/zinc/26/04/70/334260470.db2.gz MKIJXTYXKYCZMT-IRLDBZIGSA-N 2 0 322.496 3.805 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC000415040708 334260679 /nfs/dbraw/zinc/26/06/79/334260679.db2.gz PEPBDYRPTLRFRA-PMACEKPBSA-N 2 0 324.468 3.791 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000415044451 334261175 /nfs/dbraw/zinc/26/11/75/334261175.db2.gz SPTQJTAWAGGNBH-VSKRKVRLSA-N 2 0 322.496 3.948 20 0 DHADRP c1c2ccccc2sc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415060183 334262058 /nfs/dbraw/zinc/26/20/58/334262058.db2.gz YJHJRYFRWXLPDQ-RDJZCZTQSA-N 2 0 300.471 3.865 20 0 DHADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000415077110 334268594 /nfs/dbraw/zinc/26/85/94/334268594.db2.gz DVFBDBUZTRRXCF-NFAWXSAZSA-N 2 0 312.404 3.717 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000415076341 334268726 /nfs/dbraw/zinc/26/87/26/334268726.db2.gz AUTRBEMTWSLJPI-XGHQBKJUSA-N 2 0 324.468 3.762 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415080136 334269767 /nfs/dbraw/zinc/26/97/67/334269767.db2.gz LCEIOUAUAGZJTO-OAGGEKHMSA-N 2 0 322.518 3.544 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1nc(C(F)(F)F)cs1 ZINC000415077824 334270168 /nfs/dbraw/zinc/27/01/68/334270168.db2.gz FNLUSCIRSSIFQW-QWRGUYRKSA-N 2 0 321.412 3.562 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415088355 334277013 /nfs/dbraw/zinc/27/70/13/334277013.db2.gz XIGAZTUAZYFTCK-XEBKBJJBSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC000415089503 334279765 /nfs/dbraw/zinc/27/97/65/334279765.db2.gz YBFPJGIRIGGUHG-XLIONFOSSA-N 2 0 324.468 3.743 20 0 DHADRP CCOCCC1(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CCCC1 ZINC000415090453 334279892 /nfs/dbraw/zinc/27/98/92/334279892.db2.gz OUXLVWBXJOYBLJ-ZWKOTPCHSA-N 2 0 310.526 3.874 20 0 DHADRP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415094150 334280731 /nfs/dbraw/zinc/28/07/31/334280731.db2.gz WWFUYSIXTFPDLP-ZJOIDMRUSA-N 2 0 310.869 3.523 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415095286 334280994 /nfs/dbraw/zinc/28/09/94/334280994.db2.gz ZISCGSGJUZEBGR-YTQUADARSA-N 2 0 300.490 3.783 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1c(Cl)ccc(F)c1Cl ZINC000415110984 334281923 /nfs/dbraw/zinc/28/19/23/334281923.db2.gz QWNPFTZGGSLKKO-SECBINFHSA-N 2 0 305.224 3.783 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC000415124685 334283246 /nfs/dbraw/zinc/28/32/46/334283246.db2.gz RGFSUYFHTDGYLN-LBXVMSDZSA-N 2 0 312.432 3.969 20 0 DHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000415117001 334283814 /nfs/dbraw/zinc/28/38/14/334283814.db2.gz YZUMMDJXLAVKCE-OALUTQOASA-N 2 0 308.510 3.565 20 0 DHADRP c1ccc(C[C@@H](C[NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000415118209 334284010 /nfs/dbraw/zinc/28/40/10/334284010.db2.gz JLMWQEYSAJTZKF-NRFANRHFSA-N 2 0 308.469 3.602 20 0 DHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCC3CCCCC3)CC2)C1 ZINC000415120816 334284319 /nfs/dbraw/zinc/28/43/19/334284319.db2.gz HCDSNEYHLHEAQG-OALUTQOASA-N 2 0 308.510 3.565 20 0 DHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000415121504 334284473 /nfs/dbraw/zinc/28/44/73/334284473.db2.gz IFNXISDCQYUGPD-OALUTQOASA-N 2 0 308.510 3.565 20 0 DHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000415133635 334285671 /nfs/dbraw/zinc/28/56/71/334285671.db2.gz VHYODPLHPJIOCT-NHCUHLMSSA-N 2 0 324.468 3.558 20 0 DHADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534973303 334351008 /nfs/dbraw/zinc/35/10/08/334351008.db2.gz ZDPILDCXPIFPOE-OCBCSQNSSA-N 2 0 304.865 3.790 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535050749 334360444 /nfs/dbraw/zinc/36/04/44/334360444.db2.gz OWLMTDVPTAYIEO-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531987713 334361050 /nfs/dbraw/zinc/36/10/50/334361050.db2.gz BBANFMPPCBNLLV-OAHLLOKOSA-N 2 0 316.489 3.714 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000341276093 334427968 /nfs/dbraw/zinc/42/79/68/334427968.db2.gz RYMQLRUWNWXFHP-KRWDZBQOSA-N 2 0 314.473 3.606 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341690201 334470687 /nfs/dbraw/zinc/47/06/87/334470687.db2.gz BCYYSXRRLFXLSQ-KRWDZBQOSA-N 2 0 322.880 3.875 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000443640819 338458587 /nfs/dbraw/zinc/45/85/87/338458587.db2.gz OGANROCAEMVRBF-QUCCMNQESA-N 2 0 322.537 3.802 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417306343 334704459 /nfs/dbraw/zinc/70/44/59/334704459.db2.gz GAAPHUWKIGJDAX-HYVNUMGLSA-N 2 0 306.519 3.952 20 0 DHADRP CC(C)Oc1ccccc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000343725946 335187026 /nfs/dbraw/zinc/18/70/26/335187026.db2.gz FFRTVEJXQNAHJD-UHFFFAOYSA-N 2 0 302.462 3.534 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCC2 ZINC000344080855 335216277 /nfs/dbraw/zinc/21/62/77/335216277.db2.gz WPSSTCJIDSRXMW-QZTJIDSGSA-N 2 0 308.510 3.580 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000344202477 335224731 /nfs/dbraw/zinc/22/47/31/335224731.db2.gz ZOPJQQHQIKUKFH-JFIYKMOQSA-N 2 0 310.445 3.634 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000344303962 335238717 /nfs/dbraw/zinc/23/87/17/335238717.db2.gz MOGDXNBLESVULR-MRXNPFEDSA-N 2 0 307.441 3.661 20 0 DHADRP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345181283 335305628 /nfs/dbraw/zinc/30/56/28/335305628.db2.gz QDSPSKBFASCPIB-CQSZACIVSA-N 2 0 316.367 3.549 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346183601 335378761 /nfs/dbraw/zinc/37/87/61/335378761.db2.gz WKEKYANPNQJPED-KRWDZBQOSA-N 2 0 311.473 3.707 20 0 DHADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346158446 335383196 /nfs/dbraw/zinc/38/31/96/335383196.db2.gz BTLQGYOIQAAKLH-KXBFYZLASA-N 2 0 312.461 3.976 20 0 DHADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346221076 335385470 /nfs/dbraw/zinc/38/54/70/335385470.db2.gz NROFTQBLYBOTLV-HNAYVOBHSA-N 2 0 312.461 3.976 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000346464449 335409806 /nfs/dbraw/zinc/40/98/06/335409806.db2.gz QEEQVUMGPDLWRA-YLJYHZDGSA-N 2 0 316.489 3.576 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000350222416 335736876 /nfs/dbraw/zinc/73/68/76/335736876.db2.gz PUHCMRXVWRSQEX-UHFFFAOYSA-N 2 0 309.457 3.522 20 0 DHADRP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000583637447 336006179 /nfs/dbraw/zinc/00/61/79/336006179.db2.gz UAWLTPBHUXVNFK-AQNXPRMDSA-N 2 0 316.489 3.616 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000192437405 336032376 /nfs/dbraw/zinc/03/23/76/336032376.db2.gz HQZZFBMUTOBLBA-WMZOPIPTSA-N 2 0 318.505 3.653 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000352051423 336192155 /nfs/dbraw/zinc/19/21/55/336192155.db2.gz ZVFYUVMLRLUNIV-KRWDZBQOSA-N 2 0 324.468 3.709 20 0 DHADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000352504188 336222009 /nfs/dbraw/zinc/22/20/09/336222009.db2.gz ODNNELWIHYVKMQ-MRXNPFEDSA-N 2 0 303.837 3.592 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC(OC(C)(C)C)C2)c1 ZINC000352555819 336224490 /nfs/dbraw/zinc/22/44/90/336224490.db2.gz RUUSXAJVIOXWTD-UHFFFAOYSA-N 2 0 318.505 3.963 20 0 DHADRP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000352756030 336235116 /nfs/dbraw/zinc/23/51/16/336235116.db2.gz ANUNKHJRHXZXCG-UHFFFAOYSA-N 2 0 311.473 3.774 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000526954294 336276449 /nfs/dbraw/zinc/27/64/49/336276449.db2.gz OGIYRADYXDYEGD-IOASZLSFSA-N 2 0 314.395 3.739 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192933748 336285168 /nfs/dbraw/zinc/28/51/68/336285168.db2.gz GZPWLYPWYZKVNY-FQEVSTJZSA-N 2 0 324.468 3.697 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514099837 336303680 /nfs/dbraw/zinc/30/36/80/336303680.db2.gz RISBIVPGVXAXMT-XOKHGSTOSA-N 2 0 308.416 3.502 20 0 DHADRP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc2[nH+]1 ZINC000301770640 336328772 /nfs/dbraw/zinc/32/87/72/336328772.db2.gz IZTDUVUGGQHYKI-JXFKEZNVSA-N 2 0 321.468 3.996 20 0 DHADRP CCCc1cc(N2CC[C@H](C[N@H+](C)CC)C2)c2ccccc2[nH+]1 ZINC000301797680 336330578 /nfs/dbraw/zinc/33/05/78/336330578.db2.gz QRUPVDVSBVWWON-MRXNPFEDSA-N 2 0 311.473 3.965 20 0 DHADRP Cc1nc2c(c(N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)n1)CCCC2 ZINC000302102942 336348531 /nfs/dbraw/zinc/34/85/31/336348531.db2.gz QQKGEEWMWNQTAB-RTBURBONSA-N 2 0 322.456 3.521 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CCCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000302156656 336351326 /nfs/dbraw/zinc/35/13/26/336351326.db2.gz NDDVGVNFRRIXAM-KRWDZBQOSA-N 2 0 309.457 3.998 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000302220312 336354555 /nfs/dbraw/zinc/35/45/55/336354555.db2.gz MADYMJGWAALWIA-OXQOHEQNSA-N 2 0 321.468 3.996 20 0 DHADRP Cc1cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc[nH+]1 ZINC000302563075 336361749 /nfs/dbraw/zinc/36/17/49/336361749.db2.gz MGUZQHAXKPAGAA-UHFFFAOYSA-N 2 0 309.457 3.738 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000514129954 336374963 /nfs/dbraw/zinc/37/49/63/336374963.db2.gz DSIKOGLEDYMNJG-INIZCTEOSA-N 2 0 302.453 3.866 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C(C)C)cc1 ZINC000152473921 336390360 /nfs/dbraw/zinc/39/03/60/336390360.db2.gz RFRAXHWZIQFIOW-ICSRJNTNSA-N 2 0 300.490 3.636 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000353543183 336423694 /nfs/dbraw/zinc/42/36/94/336423694.db2.gz AGRRVXCENLTERV-LJQANCHMSA-N 2 0 315.436 3.769 20 0 DHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1OC ZINC000353650066 336431522 /nfs/dbraw/zinc/43/15/22/336431522.db2.gz PVYDHVLGNKERCG-MRXNPFEDSA-N 2 0 322.518 3.563 20 0 DHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000353654076 336432011 /nfs/dbraw/zinc/43/20/11/336432011.db2.gz ZUKJUQZVDJEEPF-INIZCTEOSA-N 2 0 310.482 3.694 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000353936009 336449943 /nfs/dbraw/zinc/44/99/43/336449943.db2.gz YYCZMFLZIJLVSI-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H](CC1CC1)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358023668 336607110 /nfs/dbraw/zinc/60/71/10/336607110.db2.gz QEMMAYJSUCJUJU-BRWVUGGUSA-N 2 0 316.489 3.574 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000359324384 336667714 /nfs/dbraw/zinc/66/77/14/336667714.db2.gz RJHCJNXUYWEEIC-HKUYNNGSSA-N 2 0 322.468 3.532 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]CC2(OC)CCCC2)c1 ZINC000359957780 336695440 /nfs/dbraw/zinc/69/54/40/336695440.db2.gz JQOUWKKYZKAZKV-UHFFFAOYSA-N 2 0 304.478 3.577 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000360772880 336721822 /nfs/dbraw/zinc/72/18/22/336721822.db2.gz OOKFNZKZTHWHFV-INMHGKMJSA-N 2 0 312.461 3.738 20 0 DHADRP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1C[C@@H]1c1cccs1 ZINC000367438137 336822674 /nfs/dbraw/zinc/82/26/74/336822674.db2.gz KVSZYHWRDACWQH-LKRQVQDUSA-N 2 0 304.503 3.847 20 0 DHADRP C[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO[C@H]1C1CC1 ZINC000372097498 336922004 /nfs/dbraw/zinc/92/20/04/336922004.db2.gz ZUUSHDFMSYNQBZ-PMACEKPBSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)c1ccccn1 ZINC000375496151 337012320 /nfs/dbraw/zinc/01/23/20/337012320.db2.gz QBRCPBIEYLYQGD-ILZDJORESA-N 2 0 309.457 3.815 20 0 DHADRP c1cc2cnccc2c(C2CC[NH+](CCC[NH+]3CCCC3)CC2)c1 ZINC000375946211 337023916 /nfs/dbraw/zinc/02/39/16/337023916.db2.gz GNRVUBPJIZHMDM-UHFFFAOYSA-N 2 0 323.484 3.900 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000376147566 337028345 /nfs/dbraw/zinc/02/83/45/337028345.db2.gz CIKSBWQDXBXNEX-NJAFHUGGSA-N 2 0 308.510 3.577 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC(c3ccccn3)C2)cc1 ZINC000377407930 337052299 /nfs/dbraw/zinc/05/22/99/337052299.db2.gz CSGFBHVJYLSBEL-UHFFFAOYSA-N 2 0 323.484 3.959 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CC(c3ccccn3)C2)C1 ZINC000377619077 337056515 /nfs/dbraw/zinc/05/65/15/337056515.db2.gz DLQFAYOSHWJONW-LPOKXYRGSA-N 2 0 315.505 3.675 20 0 DHADRP C[C@@H](C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000377696768 337058799 /nfs/dbraw/zinc/05/87/99/337058799.db2.gz NLTDBUCXPXZXQG-KRWDZBQOSA-N 2 0 309.457 3.786 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377693949 337058852 /nfs/dbraw/zinc/05/88/52/337058852.db2.gz DNZDERZPLQVAPR-CAMMJAKZSA-N 2 0 303.494 3.879 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000377759339 337060210 /nfs/dbraw/zinc/06/02/10/337060210.db2.gz GCVUEEQCAHJBFU-WMZOPIPTSA-N 2 0 300.471 3.839 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834084 337062064 /nfs/dbraw/zinc/06/20/64/337062064.db2.gz IYJDYHXVXBAHOO-NHCUHLMSSA-N 2 0 321.468 3.665 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834085 337062073 /nfs/dbraw/zinc/06/20/73/337062073.db2.gz IYJDYHXVXBAHOO-RTWAWAEBSA-N 2 0 321.468 3.665 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2-c2ccncc2)CC1 ZINC000378171188 337067700 /nfs/dbraw/zinc/06/77/00/337067700.db2.gz WNFLBVWGDGXSKN-UHFFFAOYSA-N 2 0 309.457 3.711 20 0 DHADRP CCc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c2ccccc2[nH+]1 ZINC000582478534 337096218 /nfs/dbraw/zinc/09/62/18/337096218.db2.gz RAENAYYZWQZYPD-RDJZCZTQSA-N 2 0 309.457 3.860 20 0 DHADRP CSCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000173490700 337135491 /nfs/dbraw/zinc/13/54/91/337135491.db2.gz GCMQVIHFBUCWDM-SJLPKXTDSA-N 2 0 306.519 3.724 20 0 DHADRP c1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)Cc3ccccc32)cc1 ZINC000178957037 337166557 /nfs/dbraw/zinc/16/65/57/337166557.db2.gz USIDBAMKUZLEKT-OAQYLSRUSA-N 2 0 306.453 3.634 20 0 DHADRP COc1ccc([C@@H]2CCCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178956449 337166611 /nfs/dbraw/zinc/16/66/11/337166611.db2.gz VOJOPKWDMZIIHC-IBGZPJMESA-N 2 0 302.462 3.612 20 0 DHADRP CSC1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000582994093 337223243 /nfs/dbraw/zinc/22/32/43/337223243.db2.gz KGCRTNPWXDGLAU-MSOLQXFVSA-N 2 0 318.530 3.740 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CCSCC1 ZINC000187209350 337263989 /nfs/dbraw/zinc/26/39/89/337263989.db2.gz STFBWVWHRSRNIE-CYBMUJFWSA-N 2 0 310.482 3.509 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000583198254 337267860 /nfs/dbraw/zinc/26/78/60/337267860.db2.gz YWZJBXFSLGDHGE-GFCCVEGCSA-N 2 0 313.420 3.716 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000189439215 337279899 /nfs/dbraw/zinc/27/98/99/337279899.db2.gz PYRUJBFANIHWRK-MRXNPFEDSA-N 2 0 319.468 3.697 20 0 DHADRP CSC1(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC[NH+](C)CC1 ZINC000583233286 337281522 /nfs/dbraw/zinc/28/15/22/337281522.db2.gz CCLYJXBDOVLLCO-QAPCUYQASA-N 2 0 318.530 3.645 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251493 337288524 /nfs/dbraw/zinc/28/85/24/337288524.db2.gz IHGNXSYYPLZDFO-MRXNPFEDSA-N 2 0 313.272 3.911 20 0 DHADRP C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)O1 ZINC000190654810 337289448 /nfs/dbraw/zinc/28/94/48/337289448.db2.gz IKGQDWYPAVHAIG-LFGUQSLTSA-N 2 0 316.489 3.539 20 0 DHADRP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000193339834 337310002 /nfs/dbraw/zinc/31/00/02/337310002.db2.gz YBGNJGHSFZQKMV-UMQXSMKFSA-N 2 0 300.490 3.716 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193335017 337310050 /nfs/dbraw/zinc/31/00/50/337310050.db2.gz VXEHCBZCZAQSKY-MQVJKMGUSA-N 2 0 312.379 3.729 20 0 DHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000584439448 337325706 /nfs/dbraw/zinc/32/57/06/337325706.db2.gz WKXTZKSSCFOOEN-AWIOHZCQSA-N 2 0 324.415 3.764 20 0 DHADRP c1ccc(COC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193469587 337326811 /nfs/dbraw/zinc/32/68/11/337326811.db2.gz MCQCVRMVJVANRE-UHFFFAOYSA-N 2 0 316.489 3.544 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000583906876 337384058 /nfs/dbraw/zinc/38/40/58/337384058.db2.gz JWQWIOOPPONVGJ-LJQANCHMSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c2ccccc2n1 ZINC000310040644 337388449 /nfs/dbraw/zinc/38/84/49/337388449.db2.gz UIWOASJWIGNHNK-UHFFFAOYSA-N 2 0 319.452 3.894 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000126336567 337416348 /nfs/dbraw/zinc/41/63/48/337416348.db2.gz XQNJUGDUMDSOQZ-OAHLLOKOSA-N 2 0 312.404 3.671 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000131315055 337437307 /nfs/dbraw/zinc/43/73/07/337437307.db2.gz VOZRRGLCJOHYCN-HIFRSBDPSA-N 2 0 309.523 3.929 20 0 DHADRP Cc1cc(N2CC[C@@](C)(C[NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420236865 337497194 /nfs/dbraw/zinc/49/71/94/337497194.db2.gz FCUWPWOCOFDPDE-KRWDZBQOSA-N 2 0 303.837 3.680 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332225 337499473 /nfs/dbraw/zinc/49/94/73/337499473.db2.gz GJAGBVGVDXGETF-ROUUACIJSA-N 2 0 304.865 3.791 20 0 DHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420325381 337499965 /nfs/dbraw/zinc/49/99/65/337499965.db2.gz BQWVLPRTWJRPLA-CYBMUJFWSA-N 2 0 323.278 3.586 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000420391763 337500456 /nfs/dbraw/zinc/50/04/56/337500456.db2.gz AXUJWRABWPTYLI-LBPRGKRZSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000420407251 337500702 /nfs/dbraw/zinc/50/07/02/337500702.db2.gz OHVNBJSDGHDNOQ-STQMWFEESA-N 2 0 300.368 3.746 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000247175889 337558272 /nfs/dbraw/zinc/55/82/72/337558272.db2.gz YVTLTIOYPQUOKT-HLIPFELVSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccncc1Cl ZINC000421822007 337649375 /nfs/dbraw/zinc/64/93/75/337649375.db2.gz VIMGFXOGQQVSHG-HNNXBMFYSA-N 2 0 309.885 3.898 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000422690465 337683272 /nfs/dbraw/zinc/68/32/72/337683272.db2.gz GIXRYHXPCBYSLD-AAEUAGOBSA-N 2 0 303.837 3.914 20 0 DHADRP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422700589 337683504 /nfs/dbraw/zinc/68/35/04/337683504.db2.gz AHIPPDNDHHNPOM-YJBOKZPZSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422727607 337684408 /nfs/dbraw/zinc/68/44/08/337684408.db2.gz HNXVRADDYDMVCJ-RYGJVYDSSA-N 2 0 323.484 3.850 20 0 DHADRP CCc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[NH+](C)C)cc1 ZINC000422734972 337684439 /nfs/dbraw/zinc/68/44/39/337684439.db2.gz VFRAYZZBQWXURU-HBMCJLEFSA-N 2 0 323.484 3.586 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCCCCC1 ZINC000422737609 337684529 /nfs/dbraw/zinc/68/45/29/337684529.db2.gz ZYHXQCIDESPMLR-HKUYNNGSSA-N 2 0 300.446 3.555 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H](C)CCCC[NH3+])c2ccccc2)cc1 ZINC000422770141 337685907 /nfs/dbraw/zinc/68/59/07/337685907.db2.gz UKOKVAUNLNLVPM-JXFKEZNVSA-N 2 0 312.457 3.892 20 0 DHADRP [NH3+][C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422780420 337686197 /nfs/dbraw/zinc/68/61/97/337686197.db2.gz HDCAHJVXWRASGT-NHCUHLMSSA-N 2 0 321.468 3.517 20 0 DHADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422742602 337686691 /nfs/dbraw/zinc/68/66/91/337686691.db2.gz RWMNMFVWLXQGHH-GUDVDZBRSA-N 2 0 316.489 3.732 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422794051 337687069 /nfs/dbraw/zinc/68/70/69/337687069.db2.gz YDHIOTIFBXRMSK-ZDUSSCGKSA-N 2 0 314.395 3.844 20 0 DHADRP Cc1nc(-c2ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc2)cs1 ZINC000422801493 337687282 /nfs/dbraw/zinc/68/72/82/337687282.db2.gz FOMSVEGBMNZCFK-QWHCGFSZSA-N 2 0 303.475 3.897 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422807203 337687548 /nfs/dbraw/zinc/68/75/48/337687548.db2.gz JICHQVUOPJBFGU-IYWMVGAKSA-N 2 0 300.490 3.937 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422858377 337689177 /nfs/dbraw/zinc/68/91/77/337689177.db2.gz ZWQQWPILZCGLIE-ZVDSWSACSA-N 2 0 318.427 3.865 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422864548 337689235 /nfs/dbraw/zinc/68/92/35/337689235.db2.gz VFNMXLMKKLVWSS-FXAWDEMLSA-N 2 0 310.485 3.821 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422883486 337689834 /nfs/dbraw/zinc/68/98/34/337689834.db2.gz CIBADGFUUUIWNO-CXAGYDPISA-N 2 0 303.837 3.541 20 0 DHADRP CCOCCC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCCC1 ZINC000422887144 337690214 /nfs/dbraw/zinc/69/02/14/337690214.db2.gz KCSZLINVRQMCNN-PKOBYXMFSA-N 2 0 318.505 3.522 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422890593 337690251 /nfs/dbraw/zinc/69/02/51/337690251.db2.gz SMKHZKGGLLRCJF-QUCCMNQESA-N 2 0 312.457 3.716 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422887194 337690308 /nfs/dbraw/zinc/69/03/08/337690308.db2.gz KIUXNYKUHPJQRV-IERDGZPVSA-N 2 0 321.468 3.649 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926451 337691790 /nfs/dbraw/zinc/69/17/90/337691790.db2.gz DAHMXTDKNYLYPT-SLFFLAALSA-N 2 0 312.501 3.910 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000422933049 337692284 /nfs/dbraw/zinc/69/22/84/337692284.db2.gz DCQUMTFZSPKCPU-NEPJUHHUSA-N 2 0 311.267 3.544 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932636 337692288 /nfs/dbraw/zinc/69/22/88/337692288.db2.gz GEIQSDYCOSDYSS-PBHICJAKSA-N 2 0 310.869 3.606 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000422937784 337692490 /nfs/dbraw/zinc/69/24/90/337692490.db2.gz OVCIHDVGQQSPHF-CRAIPNDOSA-N 2 0 316.420 3.663 20 0 DHADRP Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422902135 337693382 /nfs/dbraw/zinc/69/33/82/337693382.db2.gz TUGXUNZFVCZXHX-ZCNNSNEGSA-N 2 0 316.489 3.664 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422984427 337693656 /nfs/dbraw/zinc/69/36/56/337693656.db2.gz AWEZKFFLFTYVMU-XFQXTVEOSA-N 2 0 308.425 3.593 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422988354 337693827 /nfs/dbraw/zinc/69/38/27/337693827.db2.gz IUNJSKPLKUKOBV-NOLJZWGESA-N 2 0 312.404 3.717 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000422986091 337693837 /nfs/dbraw/zinc/69/38/37/337693837.db2.gz BJYOEHVEXWWQKT-MSOLQXFVSA-N 2 0 324.896 3.915 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000422948287 337694282 /nfs/dbraw/zinc/69/42/82/337694282.db2.gz RPKDYRIUMVZLKE-ZDUSSCGKSA-N 2 0 317.864 3.786 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000423024967 337696069 /nfs/dbraw/zinc/69/60/69/337696069.db2.gz KLORPFZNKATRQC-RVKKMQEKSA-N 2 0 316.489 3.630 20 0 DHADRP CC(C)C(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423055608 337697305 /nfs/dbraw/zinc/69/73/05/337697305.db2.gz DMOARQMUMLCOGV-LPHOPBHVSA-N 2 0 302.462 3.514 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1-c1ccccc1 ZINC000423066784 337698190 /nfs/dbraw/zinc/69/81/90/337698190.db2.gz XWGBNBGYKUMDOQ-ORYQWCPZSA-N 2 0 324.468 3.504 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423080477 337698604 /nfs/dbraw/zinc/69/86/04/337698604.db2.gz AHCAOLISUQWPCP-MTEHYEEQSA-N 2 0 316.464 3.972 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423095069 337699115 /nfs/dbraw/zinc/69/91/15/337699115.db2.gz LHFQPQAHLZLGNM-SDADXPQNSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098676 337699330 /nfs/dbraw/zinc/69/93/30/337699330.db2.gz DFBTYMJKEKHRGM-SWLSCSKDSA-N 2 0 321.877 3.681 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423098144 337699333 /nfs/dbraw/zinc/69/93/33/337699333.db2.gz CCWGFEQJBNQUDL-HYVNUMGLSA-N 2 0 322.880 3.749 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423054497 337699696 /nfs/dbraw/zinc/69/96/96/337699696.db2.gz URDUGWSLILWSKG-RTBURBONSA-N 2 0 316.489 3.623 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000423125933 337700535 /nfs/dbraw/zinc/70/05/35/337700535.db2.gz IMNRSLGZOSBAKG-ZXFNITATSA-N 2 0 322.518 3.651 20 0 DHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC000423128944 337700836 /nfs/dbraw/zinc/70/08/36/337700836.db2.gz LKEQDTVABXAMRV-BEVDRBHNSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423138396 337701256 /nfs/dbraw/zinc/70/12/56/337701256.db2.gz JEZOFXVFIHRATH-RCCFBDPRSA-N 2 0 315.505 3.568 20 0 DHADRP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423160078 337701931 /nfs/dbraw/zinc/70/19/31/337701931.db2.gz GUJMOTKSKVZMPL-LDQXTDLNSA-N 2 0 322.452 3.902 20 0 DHADRP C[NH2+]CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423198082 337703522 /nfs/dbraw/zinc/70/35/22/337703522.db2.gz CZADIJWLENUJPM-MRXNPFEDSA-N 2 0 308.878 3.884 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423226698 337705839 /nfs/dbraw/zinc/70/58/39/337705839.db2.gz RWEATHVYQBYOKY-LSDHHAIUSA-N 2 0 316.420 3.793 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423251347 337707395 /nfs/dbraw/zinc/70/73/95/337707395.db2.gz RUSZSWQMXIEHSR-DZGCQCFKSA-N 2 0 315.486 3.769 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423250468 337707411 /nfs/dbraw/zinc/70/74/11/337707411.db2.gz QHLSIQAZMPAPJO-KXBFYZLASA-N 2 0 302.462 3.516 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000423252021 337707458 /nfs/dbraw/zinc/70/74/58/337707458.db2.gz SVPKHTJUNHELKO-HOTGVXAUSA-N 2 0 320.477 3.524 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000423255902 337707755 /nfs/dbraw/zinc/70/77/55/337707755.db2.gz AXWRBFROVDXUIY-KYJSFNMBSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423258026 337707846 /nfs/dbraw/zinc/70/78/46/337707846.db2.gz LGVISDOBGWPSIH-DLBZAZTESA-N 2 0 309.457 3.789 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423262148 337707999 /nfs/dbraw/zinc/70/79/99/337707999.db2.gz UPYBIJVOXNLPIU-IAGOWNOFSA-N 2 0 309.457 3.789 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423268775 337708474 /nfs/dbraw/zinc/70/84/74/337708474.db2.gz GKPBMTSMSLVZML-NWDGAFQWSA-N 2 0 321.465 3.764 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423273559 337708771 /nfs/dbraw/zinc/70/87/71/337708771.db2.gz LCOVEWSVUFPTKI-RDTXWAMCSA-N 2 0 306.881 3.640 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423282779 337709301 /nfs/dbraw/zinc/70/93/01/337709301.db2.gz WXPIOIRBZQSSLQ-VXGBXAGGSA-N 2 0 320.424 3.847 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000423296753 337710925 /nfs/dbraw/zinc/71/09/25/337710925.db2.gz ZQYGKLDNEZTFKF-ZUZCIYMTSA-N 2 0 320.358 3.901 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423317676 337711682 /nfs/dbraw/zinc/71/16/82/337711682.db2.gz CWQIZXQITCSFPM-LBPRGKRZSA-N 2 0 303.233 3.536 20 0 DHADRP Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]CC2C[NH2+]C2)cs1 ZINC000423318429 337711825 /nfs/dbraw/zinc/71/18/25/337711825.db2.gz LAOIIJAOCRNJMO-QGZVFWFLSA-N 2 0 320.889 3.803 20 0 DHADRP CC1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000423324839 337712031 /nfs/dbraw/zinc/71/20/31/337712031.db2.gz JCSZJPJSVVODCZ-HNNXBMFYSA-N 2 0 308.853 3.533 20 0 DHADRP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423330436 337712222 /nfs/dbraw/zinc/71/22/22/337712222.db2.gz NTBMNYNJELBDAK-NVXWUHKLSA-N 2 0 312.404 3.718 20 0 DHADRP Clc1ccc([C@H]2CCC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423338044 337712667 /nfs/dbraw/zinc/71/26/67/337712667.db2.gz AQLRWCJZXXVUKG-WMZOPIPTSA-N 2 0 304.865 3.876 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423337980 337712704 /nfs/dbraw/zinc/71/27/04/337712704.db2.gz UQGKMKVPHDPBPJ-PXAZEXFGSA-N 2 0 309.523 3.789 20 0 DHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423341238 337712834 /nfs/dbraw/zinc/71/28/34/337712834.db2.gz KEAXQCJCRMJUGT-INIZCTEOSA-N 2 0 322.452 3.933 20 0 DHADRP Cc1ccc(C)c([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)c1 ZINC000423343641 337712957 /nfs/dbraw/zinc/71/29/57/337712957.db2.gz MDGFFUNATPJYPG-NRFANRHFSA-N 2 0 306.453 3.902 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000423342609 337713041 /nfs/dbraw/zinc/71/30/41/337713041.db2.gz NHMDGJNSZQXPNP-FQEVSTJZSA-N 2 0 323.569 3.645 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000423345484 337713179 /nfs/dbraw/zinc/71/31/79/337713179.db2.gz ODYAHHPXBZXKLD-SFHVURJKSA-N 2 0 300.446 3.533 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(OCc2ccccc2)c1 ZINC000423364592 337714632 /nfs/dbraw/zinc/71/46/32/337714632.db2.gz CKBACFGMNAYJOK-XGHQBKJUSA-N 2 0 324.468 3.914 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1=CC[NH2+]CC1 ZINC000423364948 337714692 /nfs/dbraw/zinc/71/46/92/337714692.db2.gz ZJPAXRAKFGKOBK-HNNXBMFYSA-N 2 0 311.473 3.733 20 0 DHADRP c1ccc(C[C@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000423372203 337715309 /nfs/dbraw/zinc/71/53/09/337715309.db2.gz GWRNPFYIBAQFTA-UTKZUKDTSA-N 2 0 306.453 3.791 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000423399778 337715569 /nfs/dbraw/zinc/71/55/69/337715569.db2.gz VAEKLTYSSOLYPW-ROUUACIJSA-N 2 0 316.395 3.914 20 0 DHADRP COCC1(C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)CC[NH2+]CC1 ZINC000423402272 337715716 /nfs/dbraw/zinc/71/57/16/337715716.db2.gz GXTABFQMJBPHQA-QGZVFWFLSA-N 2 0 324.896 3.643 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(Br)c21 ZINC000423407301 337715885 /nfs/dbraw/zinc/71/58/85/337715885.db2.gz ZTNMGWTURHDFSB-BLTAXRJOSA-N 2 0 323.278 3.857 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423406836 337715918 /nfs/dbraw/zinc/71/59/18/337715918.db2.gz VDQLERVKZQJULS-WWGRRREGSA-N 2 0 315.486 3.767 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000423405176 337716045 /nfs/dbraw/zinc/71/60/45/337716045.db2.gz ZPVUVMIYCDSOQB-UAGQMJEPSA-N 2 0 320.477 3.665 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CCCO2 ZINC000423420808 337716804 /nfs/dbraw/zinc/71/68/04/337716804.db2.gz JXHUDKFZOUTJPR-BQFCYCMXSA-N 2 0 302.462 3.563 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000423422146 337716838 /nfs/dbraw/zinc/71/68/38/337716838.db2.gz CYDVAEQTGDRDBK-QWRGUYRKSA-N 2 0 317.246 3.756 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Br ZINC000423375142 337717253 /nfs/dbraw/zinc/71/72/53/337717253.db2.gz ITNJZCXDFQVDAF-HUBLWGQQSA-N 2 0 311.267 3.760 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423376692 337717381 /nfs/dbraw/zinc/71/73/81/337717381.db2.gz YLMZOFQEFICHEK-DOTOQJQBSA-N 2 0 320.477 3.667 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC[C@H]([NH3+])C3)oc21 ZINC000423374971 337717396 /nfs/dbraw/zinc/71/73/96/337717396.db2.gz ILTLSGIECQVHCP-AEGPPILISA-N 2 0 302.418 3.752 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(Br)c1 ZINC000423383687 337717914 /nfs/dbraw/zinc/71/79/14/337717914.db2.gz KOWYTQHSWVKWTM-DLOVCJGASA-N 2 0 315.230 3.509 20 0 DHADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423384950 337717919 /nfs/dbraw/zinc/71/79/19/337717919.db2.gz LEFGZQLLQWPMHX-NQIIRXRSSA-N 2 0 306.453 3.791 20 0 DHADRP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423390552 337718298 /nfs/dbraw/zinc/71/82/98/337718298.db2.gz OYCQLZQFSKQXDE-DYESRHJHSA-N 2 0 322.452 3.547 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423440166 337719238 /nfs/dbraw/zinc/71/92/38/337719238.db2.gz OBQMYWTULOWTGJ-GVDBMIGSSA-N 2 0 324.415 3.717 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423445210 337719603 /nfs/dbraw/zinc/71/96/03/337719603.db2.gz MLNTXDPUHGNXIU-UOVKNHIHSA-N 2 0 300.368 3.667 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000423456523 337720430 /nfs/dbraw/zinc/72/04/30/337720430.db2.gz NYDZAXATDXEMME-JTNHKYCSSA-N 2 0 311.267 3.714 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000423462841 337720615 /nfs/dbraw/zinc/72/06/15/337720615.db2.gz PPCVODRYKVKLEW-AVGNSLFASA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423472786 337721248 /nfs/dbraw/zinc/72/12/48/337721248.db2.gz GEECDXDBXGFPBW-SWLSCSKDSA-N 2 0 311.267 3.632 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423486988 337722416 /nfs/dbraw/zinc/72/24/16/337722416.db2.gz TYHVOHMCUVOCOZ-FGTMMUONSA-N 2 0 301.478 3.538 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000423493246 337722617 /nfs/dbraw/zinc/72/26/17/337722617.db2.gz PSDACKWUYUTGMJ-VKZRIFJHSA-N 2 0 320.452 3.578 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CCC(C(F)(F)F)CC1 ZINC000423491663 337722621 /nfs/dbraw/zinc/72/26/21/337722621.db2.gz ZKCRECPJNYBQRS-URGYJCLVSA-N 2 0 306.416 3.865 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423492483 337722683 /nfs/dbraw/zinc/72/26/83/337722683.db2.gz NFTSEXGMPIXVDT-FDBUDWNGSA-N 2 0 316.489 3.680 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000423493631 337722811 /nfs/dbraw/zinc/72/28/11/337722811.db2.gz QLMAVOQACOODEZ-IDHHARJASA-N 2 0 302.462 3.644 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000423497743 337723261 /nfs/dbraw/zinc/72/32/61/337723261.db2.gz ZGRUISLCXJUYDP-UAGQMJEPSA-N 2 0 320.477 3.652 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)sc1Br ZINC000423506103 337723593 /nfs/dbraw/zinc/72/35/93/337723593.db2.gz MDMVMLFPYYQLHW-GARJFASQSA-N 2 0 317.296 3.597 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423513132 337724218 /nfs/dbraw/zinc/72/42/18/337724218.db2.gz VFPLNZPHBNJNFO-VQIMIIECSA-N 2 0 311.473 3.883 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423519054 337724386 /nfs/dbraw/zinc/72/43/86/337724386.db2.gz ZTGGHWQJKHOIDU-FOIQADDNSA-N 2 0 310.441 3.848 20 0 DHADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423530384 337724651 /nfs/dbraw/zinc/72/46/51/337724651.db2.gz RHLSOPZIKDDTIY-LBPRGKRZSA-N 2 0 314.445 3.837 20 0 DHADRP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539761 337725070 /nfs/dbraw/zinc/72/50/70/337725070.db2.gz ISMRROQNSIQXAB-LWGWVAHUSA-N 2 0 304.865 3.695 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CCCC2)o1 ZINC000423539665 337725092 /nfs/dbraw/zinc/72/50/92/337725092.db2.gz IQHNVCPPAMILMY-SFNKJDCFSA-N 2 0 302.462 3.797 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423538558 337725144 /nfs/dbraw/zinc/72/51/44/337725144.db2.gz NBWHKONVHDCDOC-ZWKOTPCHSA-N 2 0 304.865 3.876 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423547250 337725351 /nfs/dbraw/zinc/72/53/51/337725351.db2.gz PRMMGAQOSAAXLX-JCHJZTRSSA-N 2 0 316.489 3.760 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)sc1Br ZINC000423548052 337725426 /nfs/dbraw/zinc/72/54/26/337725426.db2.gz GNEAPGZXRGDSNU-SNVBAGLBSA-N 2 0 317.296 3.612 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1C(F)(F)F ZINC000423550212 337725446 /nfs/dbraw/zinc/72/54/46/337725446.db2.gz SPJCNVJIMYQJLC-REWJHTLYSA-N 2 0 312.379 3.744 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423553165 337725508 /nfs/dbraw/zinc/72/55/08/337725508.db2.gz VSYRENYNHWVMJZ-SFNKJDCFSA-N 2 0 300.490 3.721 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423569307 337725651 /nfs/dbraw/zinc/72/56/51/337725651.db2.gz WGNAVHCZUQHGEM-NRFANRHFSA-N 2 0 324.468 3.711 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000527538021 337750262 /nfs/dbraw/zinc/75/02/62/337750262.db2.gz IQSAZDVEVXZSJU-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)ccn1 ZINC000527631776 337753083 /nfs/dbraw/zinc/75/30/83/337753083.db2.gz IUBWSONTHDARCY-UHFFFAOYSA-N 2 0 309.457 3.666 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527882284 337771487 /nfs/dbraw/zinc/77/14/87/337771487.db2.gz AHBJYXWCRPJPIY-INIZCTEOSA-N 2 0 310.844 3.788 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC000536875529 337791173 /nfs/dbraw/zinc/79/11/73/337791173.db2.gz HNAHGRDXBGRIFH-HXUWFJFHSA-N 2 0 317.521 3.613 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nc(C)sc3c2)C[C@H]1C ZINC000426416812 338031410 /nfs/dbraw/zinc/03/14/10/338031410.db2.gz MECBIECGQNDHRH-CJNGLKHVSA-N 2 0 317.502 3.909 20 0 DHADRP COC1(C[C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000429516996 338082851 /nfs/dbraw/zinc/08/28/51/338082851.db2.gz FSELXXDFQITPRP-KSZLIROESA-N 2 0 310.526 3.682 20 0 DHADRP CCC(CC)(CC)[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429678628 338087167 /nfs/dbraw/zinc/08/71/67/338087167.db2.gz GEWGEZZCCFXSNE-IBGZPJMESA-N 2 0 318.505 3.836 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSCc2ccccc2)[C@H](C)C1 ZINC000430750963 338113593 /nfs/dbraw/zinc/11/35/93/338113593.db2.gz QYAJPXPKBYIGMD-AEFFLSMTSA-N 2 0 306.519 3.582 20 0 DHADRP C[NH2+]CC1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000430924372 338118861 /nfs/dbraw/zinc/11/88/61/338118861.db2.gz ASGCFQFAHQOQGC-UHFFFAOYSA-N 2 0 312.457 3.540 20 0 DHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431040024 338121078 /nfs/dbraw/zinc/12/10/78/338121078.db2.gz UVZPCCOYBJBFKN-CYBMUJFWSA-N 2 0 323.278 3.586 20 0 DHADRP Cc1nccn1CCCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433269646 338188770 /nfs/dbraw/zinc/18/87/70/338188770.db2.gz PCTCELUISSGVRU-UHFFFAOYSA-N 2 0 309.816 3.896 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000433292110 338189770 /nfs/dbraw/zinc/18/97/70/338189770.db2.gz WGRDAEXQTRPTNA-MNZLEMJZSA-N 2 0 300.490 3.921 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434542590 338219856 /nfs/dbraw/zinc/21/98/56/338219856.db2.gz BBOVFPDWSOETAA-UHFFFAOYSA-N 2 0 315.288 3.810 20 0 DHADRP c1csc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425658 338239796 /nfs/dbraw/zinc/23/97/96/338239796.db2.gz DZQPMHJNSTZWTR-INIZCTEOSA-N 2 0 318.511 3.954 20 0 DHADRP COc1ccccc1-c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435431145 338239999 /nfs/dbraw/zinc/23/99/99/338239999.db2.gz HCFYZRIIPPNHFG-IBGZPJMESA-N 2 0 324.468 3.936 20 0 DHADRP COc1c(Cl)cc(Cl)cc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435436225 338240077 /nfs/dbraw/zinc/24/00/77/338240077.db2.gz FDYZXGGUUYIDIK-CYBMUJFWSA-N 2 0 317.260 3.576 20 0 DHADRP C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435437526 338240156 /nfs/dbraw/zinc/24/01/56/338240156.db2.gz LEQBKBSUOZOGAE-LBPRGKRZSA-N 2 0 318.795 3.515 20 0 DHADRP COCCCCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684300 338245120 /nfs/dbraw/zinc/24/51/20/338245120.db2.gz USOBRLZWDYSYAI-KRWDZBQOSA-N 2 0 322.518 3.509 20 0 DHADRP c1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc(OC2CCCC2)c1 ZINC000572483050 338250480 /nfs/dbraw/zinc/25/04/80/338250480.db2.gz LZTLKUGOTXBQOC-HXUWFJFHSA-N 2 0 314.473 3.584 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000155091195 338253436 /nfs/dbraw/zinc/25/34/36/338253436.db2.gz UPFQUKKYLQBDDG-ZHALLVOQSA-N 2 0 318.530 3.973 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436254392 338263819 /nfs/dbraw/zinc/26/38/19/338263819.db2.gz QFAKTUMIHNHJHU-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc3c(cccc3F)[nH]2)cc1 ZINC000436273103 338264973 /nfs/dbraw/zinc/26/49/73/338264973.db2.gz UZXGSZARHJRMJU-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436284988 338265918 /nfs/dbraw/zinc/26/59/18/338265918.db2.gz ZWSYOLJZMRQWJM-AQNXPRMDSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436303016 338267792 /nfs/dbraw/zinc/26/77/92/338267792.db2.gz BSVCDKOCFKIWTA-HNNXBMFYSA-N 2 0 317.452 3.765 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436414122 338271659 /nfs/dbraw/zinc/27/16/59/338271659.db2.gz QIXVLRASMFDTAW-RTBURBONSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000437774526 338320785 /nfs/dbraw/zinc/32/07/85/338320785.db2.gz LKVBFBCHXNCVAP-DLBZAZTESA-N 2 0 306.469 3.714 20 0 DHADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446891126 338539833 /nfs/dbraw/zinc/53/98/33/338539833.db2.gz UKRIKUFKPZUVCF-LJQANCHMSA-N 2 0 300.490 3.780 20 0 DHADRP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446890804 338539845 /nfs/dbraw/zinc/53/98/45/338539845.db2.gz PLVBDWOBSIOWJY-UXHICEINSA-N 2 0 316.464 3.926 20 0 DHADRP C([NH2+][C@@H]1CCOC2(CCC2)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000449060838 338589380 /nfs/dbraw/zinc/58/93/80/338589380.db2.gz UNOPDGAESRQVME-GOSISDBHSA-N 2 0 320.521 3.867 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000449160738 338598114 /nfs/dbraw/zinc/59/81/14/338598114.db2.gz MZOCPIPLGIAOKI-AEFFLSMTSA-N 2 0 324.553 3.806 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000449182104 338600070 /nfs/dbraw/zinc/60/00/70/338600070.db2.gz BXSGIGVNGWVHLT-ZCNNSNEGSA-N 2 0 322.537 3.703 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000449182102 338600090 /nfs/dbraw/zinc/60/00/90/338600090.db2.gz BXSGIGVNGWVHLT-UFYCRDLUSA-N 2 0 322.537 3.703 20 0 DHADRP Cc1cccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c1F ZINC000449207355 338602399 /nfs/dbraw/zinc/60/23/99/338602399.db2.gz QXEFWOFARMDACL-UHFFFAOYSA-N 2 0 304.384 3.625 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449289856 338609966 /nfs/dbraw/zinc/60/99/66/338609966.db2.gz CHOBGABNJOPVHG-MRXNPFEDSA-N 2 0 318.530 3.567 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000449327445 338613142 /nfs/dbraw/zinc/61/31/42/338613142.db2.gz BGZBRSABDLKRFY-SZVBFZGTSA-N 2 0 304.453 3.562 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459384094 339026283 /nfs/dbraw/zinc/02/62/83/339026283.db2.gz CRZLGYDNISMOIC-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000459387343 339026309 /nfs/dbraw/zinc/02/63/09/339026309.db2.gz CPBHDFJNTZACOT-UHFFFAOYSA-N 2 0 300.490 3.961 20 0 DHADRP Cc1cc(C)c(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000459389115 339026351 /nfs/dbraw/zinc/02/63/51/339026351.db2.gz LUISJJTURLVMHH-UHFFFAOYSA-N 2 0 323.484 3.808 20 0 DHADRP CC(C)c1ccc(C[C@@H]2CC[N@H+](CCc3cncn3C)C2)cc1 ZINC000459405429 339027318 /nfs/dbraw/zinc/02/73/18/339027318.db2.gz SNZJUJFYHAJLDR-SFHVURJKSA-N 2 0 311.473 3.651 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000459735869 339045082 /nfs/dbraw/zinc/04/50/82/339045082.db2.gz PWSZGCPIGRJLNH-GFCCVEGCSA-N 2 0 318.358 3.666 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000459734936 339045088 /nfs/dbraw/zinc/04/50/88/339045088.db2.gz OYZBVOXHVNRYBK-LBPRGKRZSA-N 2 0 318.358 3.666 20 0 DHADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000462037371 339071098 /nfs/dbraw/zinc/07/10/98/339071098.db2.gz BKHJYAALKZXKHR-GOSISDBHSA-N 2 0 300.490 3.923 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000462102413 339072073 /nfs/dbraw/zinc/07/20/73/339072073.db2.gz BZNGGAZOIBTJNK-PMACEKPBSA-N 2 0 316.489 3.679 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000462119469 339072471 /nfs/dbraw/zinc/07/24/71/339072471.db2.gz YQRQPZAEYDIYAF-KGLIPLIRSA-N 2 0 306.416 3.819 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000462682547 339084023 /nfs/dbraw/zinc/08/40/23/339084023.db2.gz LRGLINUMGJALMJ-FUHWJXTLSA-N 2 0 304.478 3.685 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000462686252 339084104 /nfs/dbraw/zinc/08/41/04/339084104.db2.gz PZAHSMGVHBHASY-AEFFLSMTSA-N 2 0 304.478 3.685 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000467303575 339230614 /nfs/dbraw/zinc/23/06/14/339230614.db2.gz BMXHAGBRKIRPOF-CADBVGFASA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC1CCOCC1 ZINC000468553073 339266050 /nfs/dbraw/zinc/26/60/50/339266050.db2.gz JJKGKHRMJQZMMX-NEWSRXKRSA-N 2 0 310.526 3.682 20 0 DHADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C[C@H]12 ZINC000469871377 339303296 /nfs/dbraw/zinc/30/32/96/339303296.db2.gz RUCOLJBCENEEPY-RRQGHBQHSA-N 2 0 316.445 3.723 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]21 ZINC000469871230 339303350 /nfs/dbraw/zinc/30/33/50/339303350.db2.gz LJQKBPKXVCRIIW-PWIZWCRZSA-N 2 0 314.473 3.567 20 0 DHADRP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)s2)cc1 ZINC000469993635 339307416 /nfs/dbraw/zinc/30/74/16/339307416.db2.gz UYRTZIDUFGBAHA-WMLDXEAASA-N 2 0 300.471 3.893 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2ccc(Cl)cc2)C1 ZINC000470968721 339333445 /nfs/dbraw/zinc/33/34/45/339333445.db2.gz NLEFMRBZUQAICC-GOSISDBHSA-N 2 0 320.908 3.936 20 0 DHADRP C[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470992248 339333885 /nfs/dbraw/zinc/33/38/85/339333885.db2.gz HMQCIQVPDBPYOL-UIFIKXQLSA-N 2 0 306.453 3.811 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471218211 339340194 /nfs/dbraw/zinc/34/01/94/339340194.db2.gz BBGFIBJQQIQCKI-YJBOKZPZSA-N 2 0 308.897 3.935 20 0 DHADRP CCC(O)(CC)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000471790602 339354103 /nfs/dbraw/zinc/35/41/03/339354103.db2.gz UCCGTNXGFGPGBC-AEFFLSMTSA-N 2 0 310.526 3.560 20 0 DHADRP CCC(O)(CC)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000471790603 339354177 /nfs/dbraw/zinc/35/41/77/339354177.db2.gz UCCGTNXGFGPGBC-FUHWJXTLSA-N 2 0 310.526 3.560 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472057825 339361469 /nfs/dbraw/zinc/36/14/69/339361469.db2.gz BEKBLXQHAFEJBD-UHFFFAOYSA-N 2 0 313.489 3.996 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]C3CCC(C[NH+](C)C)CC3)cc2c1C ZINC000472065205 339361903 /nfs/dbraw/zinc/36/19/03/339361903.db2.gz LTMJWEVDDXMOQQ-UHFFFAOYSA-N 2 0 313.489 3.995 20 0 DHADRP Cc1cccnc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472339302 339370166 /nfs/dbraw/zinc/37/01/66/339370166.db2.gz LNXCQGFDPJMCKF-FPOVZHCZSA-N 2 0 323.484 3.562 20 0 DHADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@@H]1c1ccccc1 ZINC000472587512 339374322 /nfs/dbraw/zinc/37/43/22/339374322.db2.gz YAKZLFWRMTUBOM-HOJAQTOUSA-N 2 0 300.490 3.986 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C(C)C ZINC000474041438 339398487 /nfs/dbraw/zinc/39/84/87/339398487.db2.gz ZBNVVLAGRFVEIM-GUDVDZBRSA-N 2 0 310.526 3.680 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474078160 339401133 /nfs/dbraw/zinc/40/11/33/339401133.db2.gz GDDLJUVYBRZEAB-AWEZNQCLSA-N 2 0 302.453 3.912 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474607371 339419716 /nfs/dbraw/zinc/41/97/16/339419716.db2.gz OAXVIAZQXWXOHN-MJGOQNOKSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000479559682 339541218 /nfs/dbraw/zinc/54/12/18/339541218.db2.gz OSFXPSVQXGCULB-IXDOHACOSA-N 2 0 304.478 3.714 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000480258722 339565889 /nfs/dbraw/zinc/56/58/89/339565889.db2.gz GUMMCZPEESWIKW-OAQYLSRUSA-N 2 0 308.469 3.859 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000480732681 339585223 /nfs/dbraw/zinc/58/52/23/339585223.db2.gz ZQYAXFKCJAIEQY-XLAORIBOSA-N 2 0 318.505 3.678 20 0 DHADRP CC(C)(C[NH2+]Cc1cc2c(cccc2F)[nH]1)C[NH+]1CCCC1 ZINC000480932974 339591184 /nfs/dbraw/zinc/59/11/84/339591184.db2.gz MIZNKIZQBOOIMX-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000481039647 339594029 /nfs/dbraw/zinc/59/40/29/339594029.db2.gz NIAKXGNGLVZQPH-GOSISDBHSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000481919080 339616637 /nfs/dbraw/zinc/61/66/37/339616637.db2.gz DHOMVTAXJQEBFT-ZDUSSCGKSA-N 2 0 314.395 3.568 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000487537762 339756172 /nfs/dbraw/zinc/75/61/72/339756172.db2.gz MYHGUPGYMWWXGJ-UHFFFAOYSA-N 2 0 324.896 3.949 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C/C=C\c3ccncc3)CC2)CC1 ZINC000487571329 339758028 /nfs/dbraw/zinc/75/80/28/339758028.db2.gz ITNCONJRXAOLIK-IHWYPQMZSA-N 2 0 313.489 3.728 20 0 DHADRP C[C@H](CCc1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488328358 339777315 /nfs/dbraw/zinc/77/73/15/339777315.db2.gz UPMYZXFITQNJGI-GOSISDBHSA-N 2 0 300.490 3.816 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000488386720 339779180 /nfs/dbraw/zinc/77/91/80/339779180.db2.gz BCORFBPSIBMAHB-UHFFFAOYSA-N 2 0 324.896 3.773 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CS1 ZINC000488408521 339780274 /nfs/dbraw/zinc/78/02/74/339780274.db2.gz PMLYRNFAEMOQFN-RBUKOAKNSA-N 2 0 318.530 3.902 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000491369681 339859622 /nfs/dbraw/zinc/85/96/22/339859622.db2.gz WCNYKRCALLPOLK-UHFFFAOYSA-N 2 0 318.505 3.964 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000499599693 340040471 /nfs/dbraw/zinc/04/04/71/340040471.db2.gz KUUGGHUZPSSCJU-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)CC1CCC(C(F)(F)F)CC1 ZINC000499930077 340047223 /nfs/dbraw/zinc/04/72/23/340047223.db2.gz RLEUAKIWPSCJMG-UHFFFAOYSA-N 2 0 306.416 3.773 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500429243 340058352 /nfs/dbraw/zinc/05/83/52/340058352.db2.gz NKWQCEFDDGGKGD-WSTZPKSXSA-N 2 0 318.505 3.690 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000516583890 340085709 /nfs/dbraw/zinc/08/57/09/340085709.db2.gz KZAFYZNWGCNCAL-PWRODBHTSA-N 2 0 308.469 3.872 20 0 DHADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000501769238 340088159 /nfs/dbraw/zinc/08/81/59/340088159.db2.gz HARYMSPSTBCHNX-LJQANCHMSA-N 2 0 304.453 3.867 20 0 DHADRP CCCC1CCC([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000501874963 340090047 /nfs/dbraw/zinc/09/00/47/340090047.db2.gz JHYKMMFZXGAQBV-UHFFFAOYSA-N 2 0 323.569 3.693 20 0 DHADRP CCc1cc(OC)ccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000502265442 340098081 /nfs/dbraw/zinc/09/80/81/340098081.db2.gz BETYTVNJMRQMHH-CRAIPNDOSA-N 2 0 304.478 3.562 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)ccc1F ZINC000503035595 340119297 /nfs/dbraw/zinc/11/92/97/340119297.db2.gz OGNUDFDFHXFKTD-MJGOQNOKSA-N 2 0 312.432 3.781 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000401069954 340162026 /nfs/dbraw/zinc/16/20/26/340162026.db2.gz MTPPRCHQXFOBQV-ATVPRXPUSA-N 2 0 312.379 3.744 20 0 DHADRP CC(C)[NH+]1CCC(N(C)Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000506343710 340192979 /nfs/dbraw/zinc/19/29/79/340192979.db2.gz XEZWXPSDMQPTBV-UHFFFAOYSA-N 2 0 316.489 3.705 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2sccc2OC)CC1 ZINC000506850592 340202624 /nfs/dbraw/zinc/20/26/24/340202624.db2.gz HBPODZNRGDGVDN-UHFFFAOYSA-N 2 0 310.507 3.701 20 0 DHADRP Fc1ccc(/C=C/C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000506872479 340203049 /nfs/dbraw/zinc/20/30/49/340203049.db2.gz BKQLUEKQJASYAO-ONEGZZNKSA-N 2 0 302.437 3.647 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000506866062 340203121 /nfs/dbraw/zinc/20/31/21/340203121.db2.gz HTQZNIMAGBOOES-MAUKXSAKSA-N 2 0 304.478 3.957 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000507425861 340219112 /nfs/dbraw/zinc/21/91/12/340219112.db2.gz XCTZNCWRKZNJBP-RBUKOAKNSA-N 2 0 300.490 3.719 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000507439962 340219640 /nfs/dbraw/zinc/21/96/40/340219640.db2.gz DPLXVYBTQWTHEH-ZWKOTPCHSA-N 2 0 304.453 3.783 20 0 DHADRP CC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(F)(F)F ZINC000402621398 340248803 /nfs/dbraw/zinc/24/88/03/340248803.db2.gz VPSNAGXRVHJPJF-CYBMUJFWSA-N 2 0 315.383 3.619 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086583552 340251873 /nfs/dbraw/zinc/25/18/73/340251873.db2.gz NGLZIMOEZYWBFX-CQSZACIVSA-N 2 0 312.885 3.949 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509603807 340274485 /nfs/dbraw/zinc/27/44/85/340274485.db2.gz WSQFPZVVNBRJGW-IYBDPMFKSA-N 2 0 306.469 3.982 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393958 340297872 /nfs/dbraw/zinc/29/78/72/340297872.db2.gz HMQFTGNEXNRDMU-AYOQOUSVSA-N 2 0 302.437 3.619 20 0 DHADRP CC(C)Sc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000511110873 340320866 /nfs/dbraw/zinc/32/08/66/340320866.db2.gz OGZLYZQESWLAEA-QGZVFWFLSA-N 2 0 306.519 3.961 20 0 DHADRP Cc1cccc([C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173950133 340378408 /nfs/dbraw/zinc/37/84/08/340378408.db2.gz BWPZKYYMPQXMES-SFHVURJKSA-N 2 0 316.489 3.633 20 0 DHADRP Cc1ccc2c(CC[NH2+]C3CC[NH+](C(C)(C)C)CC3)c[nH]c2c1 ZINC000513046086 340390596 /nfs/dbraw/zinc/39/05/96/340390596.db2.gz IZWLJPPWDQTWOI-UHFFFAOYSA-N 2 0 313.489 3.871 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000513238247 340398986 /nfs/dbraw/zinc/39/89/86/340398986.db2.gz KQQVDVVAXPWOBM-HOJAQTOUSA-N 2 0 324.553 3.806 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000513544655 340412919 /nfs/dbraw/zinc/41/29/19/340412919.db2.gz KUKLODFHEIUWMK-WTQUMQLASA-N 2 0 324.896 3.690 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000088549786 340461672 /nfs/dbraw/zinc/46/16/72/340461672.db2.gz YSGRRHVTPOIKKD-KRWDZBQOSA-N 2 0 304.478 3.577 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000186086195 340508005 /nfs/dbraw/zinc/50/80/05/340508005.db2.gz JMIWVBDKSHJWLY-ZDUSSCGKSA-N 2 0 304.459 3.669 20 0 DHADRP COc1ccc(Cl)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000191957830 340560509 /nfs/dbraw/zinc/56/05/09/340560509.db2.gz HOXFFXJATIYWPB-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP CC1(C)CCC[C@H]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000529637773 340765946 /nfs/dbraw/zinc/76/59/46/340765946.db2.gz DPAWGMZRJAYYTE-INIZCTEOSA-N 2 0 301.478 3.856 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530215715 340782693 /nfs/dbraw/zinc/78/26/93/340782693.db2.gz IEXZZWRACWVYIG-IAGOWNOFSA-N 2 0 304.865 3.535 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[C@H]1CC=CCC1 ZINC000530217495 340782884 /nfs/dbraw/zinc/78/28/84/340782884.db2.gz BSJHOUPYWPYSRY-ILZDJORESA-N 2 0 312.457 3.578 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123734061 340794128 /nfs/dbraw/zinc/79/41/28/340794128.db2.gz NMQYYJJASNQYPR-XOBRGWDASA-N 2 0 312.432 3.910 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000541742135 340981972 /nfs/dbraw/zinc/98/19/72/340981972.db2.gz ZRTVWNGYRPINOI-INIZCTEOSA-N 2 0 318.461 3.750 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC000542915927 341026265 /nfs/dbraw/zinc/02/62/65/341026265.db2.gz SXTPXPMFVHMCEF-UWVAXJGDSA-N 2 0 300.490 3.596 20 0 DHADRP CCC(CC)(CC)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000542949528 341027096 /nfs/dbraw/zinc/02/70/96/341027096.db2.gz FOZIWCHPHAXRBN-UHFFFAOYSA-N 2 0 323.569 3.693 20 0 DHADRP Fc1ccc(/C=C/C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000544611449 341088799 /nfs/dbraw/zinc/08/87/99/341088799.db2.gz QOWWOMGJRYXSTK-ONEGZZNKSA-N 2 0 320.427 3.786 20 0 DHADRP Cc1ccc(-c2n[nH]cc2CNCCC[NH+](C(C)C)C(C)C)o1 ZINC000072742922 341103438 /nfs/dbraw/zinc/10/34/38/341103438.db2.gz OCMBKRPFOGTTSE-UHFFFAOYSA-N 2 0 318.465 3.577 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000545518513 341128266 /nfs/dbraw/zinc/12/82/66/341128266.db2.gz YCVUVZGVDPTHQM-LJQANCHMSA-N 2 0 323.569 3.552 20 0 DHADRP C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840565 341304576 /nfs/dbraw/zinc/30/45/76/341304576.db2.gz KGZMRYWIXQTDGT-CXAGYDPISA-N 2 0 310.844 3.958 20 0 DHADRP C[N@@H+]1CCC[C@]2(CCN(Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840372 341304683 /nfs/dbraw/zinc/30/46/83/341304683.db2.gz ICRKSOFCEKZSRB-INIZCTEOSA-N 2 0 313.272 3.911 20 0 DHADRP C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840568 341304745 /nfs/dbraw/zinc/30/47/45/341304745.db2.gz KGZMRYWIXQTDGT-SUMWQHHRSA-N 2 0 310.844 3.958 20 0 DHADRP C[C@@H]1C[C@@H](Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000245624083 341306053 /nfs/dbraw/zinc/30/60/53/341306053.db2.gz QOKQNLWIBMJERH-HLIPFELVSA-N 2 0 315.505 3.956 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000550662067 341320786 /nfs/dbraw/zinc/32/07/86/341320786.db2.gz PRZWDJIZSQDMKP-KDOFPFPSSA-N 2 0 306.881 3.593 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CCO1 ZINC000550789214 341322992 /nfs/dbraw/zinc/32/29/92/341322992.db2.gz VUUFLTSSQVUEPH-LFGUQSLTSA-N 2 0 316.489 3.617 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H](C)C1 ZINC000550847340 341324333 /nfs/dbraw/zinc/32/43/33/341324333.db2.gz LWJMLDDPYIKPMX-SJORKVTESA-N 2 0 312.542 3.785 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000550855351 341324455 /nfs/dbraw/zinc/32/44/55/341324455.db2.gz DFAMVMATFCZVPJ-FVQBIDKESA-N 2 0 314.395 3.652 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CC)CC2)[C@@H](C)C1 ZINC000551212120 341334041 /nfs/dbraw/zinc/33/40/41/341334041.db2.gz SFTZZIOEIQJYTJ-CADBVGFASA-N 2 0 310.526 3.682 20 0 DHADRP Cc1nc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)sc1C ZINC000246232324 341336295 /nfs/dbraw/zinc/33/62/95/341336295.db2.gz MTGYQSANMKEJLX-RHSMWYFYSA-N 2 0 321.534 3.846 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CC1 ZINC000551777585 341351035 /nfs/dbraw/zinc/35/10/35/341351035.db2.gz MUEBYEVZGSHTNN-IBGZPJMESA-N 2 0 300.490 3.638 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000551788258 341351443 /nfs/dbraw/zinc/35/14/43/341351443.db2.gz AVYNNLJERKQYTL-FQEVSTJZSA-N 2 0 300.490 3.779 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000551788259 341351456 /nfs/dbraw/zinc/35/14/56/341351456.db2.gz AVYNNLJERKQYTL-HXUWFJFHSA-N 2 0 300.490 3.779 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000551787509 341351462 /nfs/dbraw/zinc/35/14/62/341351462.db2.gz HWEUYUHQXGJTNY-DOTOQJQBSA-N 2 0 302.462 3.753 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000261550878 341352121 /nfs/dbraw/zinc/35/21/21/341352121.db2.gz PUNWGIXWRHPJCA-MOPGFXCFSA-N 2 0 310.441 3.625 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000261550879 341352254 /nfs/dbraw/zinc/35/22/54/341352254.db2.gz PUNWGIXWRHPJCA-OALUTQOASA-N 2 0 310.441 3.625 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261551712 341353378 /nfs/dbraw/zinc/35/33/78/341353378.db2.gz QVZDHBSFGFVLJM-MOPGFXCFSA-N 2 0 310.441 3.625 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CCN1C ZINC000246860645 341357989 /nfs/dbraw/zinc/35/79/89/341357989.db2.gz BYSHHSIQLYCAHH-KYOSRNDESA-N 2 0 310.894 3.949 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CCN1C ZINC000246860666 341357994 /nfs/dbraw/zinc/35/79/94/341357994.db2.gz BYSHHSIQLYCAHH-ZLDLUXBVSA-N 2 0 310.894 3.949 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000246874357 341358110 /nfs/dbraw/zinc/35/81/10/341358110.db2.gz DQIYUTKUQWSUAG-OLZOCXBDSA-N 2 0 316.367 3.578 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000246967361 341359121 /nfs/dbraw/zinc/35/91/21/341359121.db2.gz IYKUKRUIZGCRAH-OXJNMPFZSA-N 2 0 312.457 3.539 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)[C@@H](C)C1 ZINC000247019846 341360082 /nfs/dbraw/zinc/36/00/82/341360082.db2.gz MUSSDAAKBGNPED-MAUKXSAKSA-N 2 0 304.453 3.567 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552033104 341363293 /nfs/dbraw/zinc/36/32/93/341363293.db2.gz MNFMMWYTMIPICJ-KBMXLJTQSA-N 2 0 313.272 3.956 20 0 DHADRP CC(C)COc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000552046634 341364871 /nfs/dbraw/zinc/36/48/71/341364871.db2.gz MRVIQHCQNTYLNZ-UHFFFAOYSA-N 2 0 304.478 3.684 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000248041175 341372544 /nfs/dbraw/zinc/37/25/44/341372544.db2.gz SVWRTCNBGHSKOL-MDZRGWNJSA-N 2 0 322.468 3.613 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC000248058705 341372856 /nfs/dbraw/zinc/37/28/56/341372856.db2.gz XTHFEDAYWGBCND-HKUYNNGSSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248388475 341376271 /nfs/dbraw/zinc/37/62/71/341376271.db2.gz RDPOWRQFQJEUFX-HHXXYDBFSA-N 2 0 304.453 3.563 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@@H]2CCC[C@H]21 ZINC000552275036 341383175 /nfs/dbraw/zinc/38/31/75/341383175.db2.gz IXKSXGSXZBGSEH-JCGIZDLHSA-N 2 0 318.892 3.834 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552283405 341384118 /nfs/dbraw/zinc/38/41/18/341384118.db2.gz BUEYQFRFGIRWEQ-GTAWCEEGSA-N 2 0 300.490 3.921 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000552344928 341388127 /nfs/dbraw/zinc/38/81/27/341388127.db2.gz IKWGCBWYRQZKJQ-XQRVVYSFSA-N 2 0 304.453 3.893 20 0 DHADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000552357900 341388798 /nfs/dbraw/zinc/38/87/98/341388798.db2.gz YDXSLNMNQHKHSN-FQEVSTJZSA-N 2 0 310.441 3.864 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000249144407 341394695 /nfs/dbraw/zinc/39/46/95/341394695.db2.gz SRXFNZMLYHERSC-BMFZPTHFSA-N 2 0 314.395 3.652 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000554538178 341456976 /nfs/dbraw/zinc/45/69/76/341456976.db2.gz QHEPQTGXHLXDJW-MRXNPFEDSA-N 2 0 309.457 3.780 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000555611873 341486892 /nfs/dbraw/zinc/48/68/92/341486892.db2.gz FNTUGVVSLLOCOE-GJZGRUSLSA-N 2 0 306.416 3.963 20 0 DHADRP CC1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC[NH2+]CC1 ZINC000566961322 341572786 /nfs/dbraw/zinc/57/27/86/341572786.db2.gz SKWYEWCNJXOEHP-UHFFFAOYSA-N 2 0 307.507 3.670 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000567126021 341581689 /nfs/dbraw/zinc/58/16/89/341581689.db2.gz SECTVIOWQYLSLZ-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000568747222 341680292 /nfs/dbraw/zinc/68/02/92/341680292.db2.gz GOVLQHCYFFSAST-IBGZPJMESA-N 2 0 320.452 3.607 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)CC[NH+](C)CC1 ZINC000568818175 341682515 /nfs/dbraw/zinc/68/25/15/341682515.db2.gz NACSIDDLMVHBSG-KBAYOESNSA-N 2 0 318.530 3.596 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000572787742 341704234 /nfs/dbraw/zinc/70/42/34/341704234.db2.gz XSAVWKLSPNOHQM-GOSISDBHSA-N 2 0 318.509 3.743 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000573036778 341714353 /nfs/dbraw/zinc/71/43/53/341714353.db2.gz XOZPLFYGXIOENM-KUHUBIRLSA-N 2 0 304.453 3.771 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCc2cccc(C)n2)CC1 ZINC000575746430 341802209 /nfs/dbraw/zinc/80/22/09/341802209.db2.gz VUBJPFGTIGDMSE-UHFFFAOYSA-N 2 0 317.521 3.767 20 0 DHADRP CC[NH+]1CCC(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000576306415 341839578 /nfs/dbraw/zinc/83/95/78/341839578.db2.gz CMVHWTSSQALITF-UHFFFAOYSA-N 2 0 312.860 3.733 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)(C)C ZINC000576617686 341855316 /nfs/dbraw/zinc/85/53/16/341855316.db2.gz GTMWJOQUKUBGLS-FHWLQOOXSA-N 2 0 324.553 3.805 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000577213384 341897723 /nfs/dbraw/zinc/89/77/23/341897723.db2.gz CGSSARQULPTPQI-QGZVFWFLSA-N 2 0 322.880 3.875 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCc2nc(C3CCCCC3)cs2)CC1 ZINC000577500733 341913377 /nfs/dbraw/zinc/91/33/77/341913377.db2.gz LUCJZSPMUFGABD-UHFFFAOYSA-N 2 0 321.534 3.840 20 0 DHADRP CC(C)[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177586411 341921582 /nfs/dbraw/zinc/92/15/82/341921582.db2.gz ONTBKVRHAMXTLJ-QGZVFWFLSA-N 2 0 317.521 3.599 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+][C@H](C)CCCC[NH3+])c2ccccn2)cc1 ZINC000422746355 518188899 /nfs/dbraw/zinc/18/88/99/518188899.db2.gz NTKHDPHFDIITOK-YLJYHZDGSA-N 2 0 311.473 3.781 20 0 DHADRP C(=C\C[N@@H+]1CCC[C@H]1c1ccc[nH]1)\C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000339290761 518373830 /nfs/dbraw/zinc/37/38/30/518373830.db2.gz SIOIDDLIPIIKAN-DZNLNZEASA-N 2 0 324.472 3.873 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000181921043 519733434 /nfs/dbraw/zinc/73/34/34/519733434.db2.gz LQFXPENJOQFSMV-HOTGVXAUSA-N 2 0 317.477 3.560 20 0 DHADRP CC(C)C[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000339408233 519776577 /nfs/dbraw/zinc/77/65/77/519776577.db2.gz WHWXFTWRWGGEIO-IBGZPJMESA-N 2 0 318.505 3.646 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC000337203866 520588674 /nfs/dbraw/zinc/58/86/74/520588674.db2.gz IDUMUDCZIZRUHX-UHFFFAOYSA-N 2 0 320.525 3.798 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000368452033 520637752 /nfs/dbraw/zinc/63/77/52/520637752.db2.gz ZEWYAWKYSXMMLR-BZSNNMDCSA-N 2 0 320.525 3.546 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000163564769 520754400 /nfs/dbraw/zinc/75/44/00/520754400.db2.gz VGGUJNRDJANQFT-HNNXBMFYSA-N 2 0 315.436 3.913 20 0 DHADRP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000364865112 520861359 /nfs/dbraw/zinc/86/13/59/520861359.db2.gz RLPPNNKJABQACT-XLIONFOSSA-N 2 0 320.521 3.554 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)C1 ZINC000163302720 521717700 /nfs/dbraw/zinc/71/77/00/521717700.db2.gz QREQZBBBEZEYIW-QWHCGFSZSA-N 2 0 314.445 3.994 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000163308943 521717768 /nfs/dbraw/zinc/71/77/68/521717768.db2.gz DQIYUTKUQWSUAG-QWHCGFSZSA-N 2 0 316.367 3.578 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129223083 521924349 /nfs/dbraw/zinc/92/43/49/521924349.db2.gz OSSFXGDTPVWWAF-HOTGVXAUSA-N 2 0 314.395 3.959 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293600 522866084 /nfs/dbraw/zinc/86/60/84/522866084.db2.gz ZDAHZBGNAUKGEW-CZUORRHYSA-N 2 0 312.404 3.671 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CC[C@H]2CCCO2)CC1 ZINC000364897129 523349024 /nfs/dbraw/zinc/34/90/24/523349024.db2.gz RVMJQVZHTJLHSO-WOJBJXKFSA-N 2 0 316.489 3.542 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389413 523848934 /nfs/dbraw/zinc/84/89/34/523848934.db2.gz RYMSUCVHGBZHLP-UONOGXRCSA-N 2 0 304.400 3.525 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000162526257 524046328 /nfs/dbraw/zinc/04/63/28/524046328.db2.gz MPMNNTAQZGEFTI-HNNXBMFYSA-N 2 0 316.445 3.633 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337340778 524105802 /nfs/dbraw/zinc/10/58/02/524105802.db2.gz PSJSPMZXRNUXAV-HBFSDRIKSA-N 2 0 315.505 3.962 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnccc3C)CC2)cc1 ZINC000365379795 524438634 /nfs/dbraw/zinc/43/86/34/524438634.db2.gz LXVYSCFOGQXHPO-UHFFFAOYSA-N 2 0 323.484 3.700 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccnc3)CC2)cc1 ZINC000112545181 524438656 /nfs/dbraw/zinc/43/86/56/524438656.db2.gz KZXWOPLKLZMTNG-GOSISDBHSA-N 2 0 323.484 3.953 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124186633 524911998 /nfs/dbraw/zinc/91/19/98/524911998.db2.gz IYQMUDGABDPQKQ-YALNPMBYSA-N 2 0 302.462 3.607 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000156751949 525170751 /nfs/dbraw/zinc/17/07/51/525170751.db2.gz YUEDWAKIWWULOX-HOTGVXAUSA-N 2 0 304.478 3.650 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccnc1Cl ZINC000158171388 525336985 /nfs/dbraw/zinc/33/69/85/525336985.db2.gz NDAOOKBTFNNXRF-HNNXBMFYSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccn1 ZINC000158525905 525521549 /nfs/dbraw/zinc/52/15/49/525521549.db2.gz DCQJWQKABVQQOB-QGZVFWFLSA-N 2 0 309.457 3.918 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326616 526037037 /nfs/dbraw/zinc/03/70/37/526037037.db2.gz UHAKKOHMKDIYPM-STQMWFEESA-N 2 0 311.267 3.571 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000363825993 526215403 /nfs/dbraw/zinc/21/54/03/526215403.db2.gz QAWMTEWASOHDJP-HBFSDRIKSA-N 2 0 323.484 3.951 20 0 DHADRP CCSc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000274450174 535742973 /nfs/dbraw/zinc/74/29/73/535742973.db2.gz QSNFSWYHQAMYKL-ALOPSCKCSA-N 2 0 304.503 3.904 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000274954279 536033240 /nfs/dbraw/zinc/03/32/40/536033240.db2.gz FGCBPHNYBNXMKG-UHFFFAOYSA-N 2 0 306.812 3.831 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272599632 536906123 /nfs/dbraw/zinc/90/61/23/536906123.db2.gz UACRZLWUEWYCDI-HZPDHXFCSA-N 2 0 304.478 3.509 20 0 DHADRP Cc1[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)cc2[nH]ccc21 ZINC001165046603 721974132 /nfs/dbraw/zinc/97/41/32/721974132.db2.gz AVOUNTLLUGVGAN-MRXNPFEDSA-N 2 0 312.461 3.716 20 0 DHADRP FC(F)(F)CCN1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000180156157 1013055050 /nfs/dbraw/zinc/05/50/50/1013055050.db2.gz BTEGQKYHGPZFQA-UHFFFAOYSA-N 2 0 304.400 3.883 20 0 DHADRP C[N@H+]1C[C@H]2CN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2C1 ZINC000425997448 1013056678 /nfs/dbraw/zinc/05/66/78/1013056678.db2.gz BVAKGNMCKHVFDV-OKILXGFUSA-N 2 0 316.832 3.593 20 0 DHADRP C[N@@H+](Cc1ccc(Oc2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC000180429517 1013088314 /nfs/dbraw/zinc/08/83/14/1013088314.db2.gz VVGKEDXKKKPOTG-UHFFFAOYSA-N 2 0 314.429 3.846 20 0 DHADRP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC[NH+](C)C ZINC001280220660 1013167314 /nfs/dbraw/zinc/16/73/14/1013167314.db2.gz HNADZGWUOJRMRM-XUBOLADHSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000237488016 1032070035 /nfs/dbraw/zinc/07/00/35/1032070035.db2.gz VXEDUSFASRYRAK-SJORKVTESA-N 2 0 304.478 3.567 20 0 DHADRP Clc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000037648886 1013207198 /nfs/dbraw/zinc/20/71/98/1013207198.db2.gz LXMPYIGLZVCJRH-ACJLOTCBSA-N 2 0 304.865 3.865 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000578642819 1013317928 /nfs/dbraw/zinc/31/79/28/1013317928.db2.gz DGZQTKBTUJMBJL-OLZOCXBDSA-N 2 0 317.260 3.622 20 0 DHADRP CCSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398109752 1013353096 /nfs/dbraw/zinc/35/30/96/1013353096.db2.gz NMYUEDPPNYGIQK-WMZOPIPTSA-N 2 0 306.519 3.630 20 0 DHADRP CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC(C)(C)O1 ZINC001167969234 1013371417 /nfs/dbraw/zinc/37/14/17/1013371417.db2.gz AOWWTVLHJDYQCR-ZNXRZULTSA-N 2 0 320.521 3.718 20 0 DHADRP c1ccc2c(c1)CC[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167975112 1013423094 /nfs/dbraw/zinc/42/30/94/1013423094.db2.gz HPLYSLBPYYIILE-IRFPFTSISA-N 2 0 324.512 3.787 20 0 DHADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CCCC1 ZINC001167256305 1013453496 /nfs/dbraw/zinc/45/34/96/1013453496.db2.gz VWDCBDNDQDVNHE-ICSRJNTNSA-N 2 0 322.537 3.636 20 0 DHADRP C[N@H+](Cc1cc2c(cccc2O)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748773 1013474544 /nfs/dbraw/zinc/47/45/44/1013474544.db2.gz RVVVPWAGVTXLQW-PBWFPOADSA-N 2 0 316.470 3.664 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894765025 1013486225 /nfs/dbraw/zinc/48/62/25/1013486225.db2.gz GFTVIZKRSRBASH-GFCCVEGCSA-N 2 0 323.893 3.770 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@H]3C)c2)[C@H]1C ZINC000519578690 1013494202 /nfs/dbraw/zinc/49/42/02/1013494202.db2.gz GHRPEOPESMXJHR-ZYGGUILKSA-N 2 0 301.478 3.542 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[C@H](C)SC3)CC2)CC1 ZINC000655737341 1013674578 /nfs/dbraw/zinc/67/45/78/1013674578.db2.gz LYKQHXWWPPHDMQ-PBHCIXSXSA-N 2 0 310.551 3.903 20 0 DHADRP Cc1ccccc1OCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441348405 1013722913 /nfs/dbraw/zinc/72/29/13/1013722913.db2.gz CDHBKBZNEYAUPX-GOSISDBHSA-N 2 0 304.478 3.570 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000280798663 1013721358 /nfs/dbraw/zinc/72/13/58/1013721358.db2.gz IGLVXHLRDLDEEK-APWZRJJASA-N 2 0 301.478 3.633 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)oc21 ZINC000655805293 1013723704 /nfs/dbraw/zinc/72/37/04/1013723704.db2.gz LKNZWEHQLRBNLU-OFQRWUPVSA-N 2 0 316.445 3.822 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(OC(F)(F)F)c1 ZINC000655806547 1013725791 /nfs/dbraw/zinc/72/57/91/1013725791.db2.gz YKIGRAGAQUHPMF-BZPMIXESSA-N 2 0 316.367 3.576 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000655804308 1013727744 /nfs/dbraw/zinc/72/77/44/1013727744.db2.gz TXMWVRQPOMSPCQ-QXRTWZOPSA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000655825247 1013746379 /nfs/dbraw/zinc/74/63/79/1013746379.db2.gz AOBCUIBQYVGCSR-PUZFROQSSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(CO)c1 ZINC000305645078 1013751757 /nfs/dbraw/zinc/75/17/57/1013751757.db2.gz LPXIYBPEQLWKDH-KZNAEPCWSA-N 2 0 318.505 3.588 20 0 DHADRP Fc1cccc2c1CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995400 1013782718 /nfs/dbraw/zinc/78/27/18/1013782718.db2.gz DOEDZWUPWHURAQ-SJPCQFCGSA-N 2 0 300.421 3.547 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850064 1013777317 /nfs/dbraw/zinc/77/73/17/1013777317.db2.gz CVSDAZUWUMBHSP-FIDHJVLJSA-N 2 0 304.503 3.847 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850067 1013777683 /nfs/dbraw/zinc/77/76/83/1013777683.db2.gz CVSDAZUWUMBHSP-ZOFXXKQRSA-N 2 0 304.503 3.847 20 0 DHADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000683689967 1013857869 /nfs/dbraw/zinc/85/78/69/1013857869.db2.gz VPQADTGCHYKYJK-ACDBMABISA-N 2 0 324.468 3.916 20 0 DHADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340476624 1013858436 /nfs/dbraw/zinc/85/84/36/1013858436.db2.gz IOWZSTDPCHOMAJ-GOSISDBHSA-N 2 0 320.452 3.895 20 0 DHADRP C(CC[NH2+]C1CCC2(CCOCC2)CC1)CC[NH+]1CCCC1 ZINC000340476490 1013859456 /nfs/dbraw/zinc/85/94/56/1013859456.db2.gz QUECARCJLXFYOE-UHFFFAOYSA-N 2 0 308.510 3.582 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(C)(C)C ZINC000340477758 1013860549 /nfs/dbraw/zinc/86/05/49/1013860549.db2.gz HQRIUQOEZLRHJX-SJLPKXTDSA-N 2 0 304.478 3.726 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189051031 1013905370 /nfs/dbraw/zinc/90/53/70/1013905370.db2.gz BGBQZUSDHVKOIJ-NSHDSACASA-N 2 0 320.786 3.790 20 0 DHADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312782927 1014086182 /nfs/dbraw/zinc/08/61/82/1014086182.db2.gz HXPSIYRJGVXWGD-BNOWGMLFSA-N 2 0 313.272 3.986 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](COCc2ccccc2)c2ccccc2)C1 ZINC000656196908 1014104339 /nfs/dbraw/zinc/10/43/39/1014104339.db2.gz UCGLNJQMMAEUMZ-QHAWAJNXSA-N 2 0 324.468 3.804 20 0 DHADRP CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089555308 1014106558 /nfs/dbraw/zinc/10/65/58/1014106558.db2.gz NLRLJKYXNHEVGV-IAGOWNOFSA-N 2 0 316.489 3.579 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000683926630 1014116496 /nfs/dbraw/zinc/11/64/96/1014116496.db2.gz CXIUMJDTLWYTSN-UHFFFAOYSA-N 2 0 307.441 3.909 20 0 DHADRP CC(C)[NH2+]CCCN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000580431850 1014131029 /nfs/dbraw/zinc/13/10/29/1014131029.db2.gz MLLRGKGDRFUFBU-CYBMUJFWSA-N 2 0 321.465 3.988 20 0 DHADRP COCCC1(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CCCCC1 ZINC000189150572 1014162769 /nfs/dbraw/zinc/16/27/69/1014162769.db2.gz YNEDXADVXIDXOL-GOSISDBHSA-N 2 0 310.526 3.683 20 0 DHADRP COCCC1(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CCCCC1 ZINC000189150600 1014163899 /nfs/dbraw/zinc/16/38/99/1014163899.db2.gz YNEDXADVXIDXOL-SFHVURJKSA-N 2 0 310.526 3.683 20 0 DHADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000656266311 1014270903 /nfs/dbraw/zinc/27/09/03/1014270903.db2.gz DNVYVGPZNLIUPD-LJQANCHMSA-N 2 0 313.420 3.930 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000580708636 1014298787 /nfs/dbraw/zinc/29/87/87/1014298787.db2.gz COWMLYMCGCKRSJ-BEVDRBHNSA-N 2 0 309.457 3.917 20 0 DHADRP Cc1ccc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168001859 1014301495 /nfs/dbraw/zinc/30/14/95/1014301495.db2.gz JRQUCCSLAPZZCS-WCRBZPEASA-N 2 0 310.485 3.759 20 0 DHADRP CCc1nc2c(s1)[C@@H]([N@H+](C)CCCC1CC[NH2+]CC1)CCC2 ZINC000647989606 1014309957 /nfs/dbraw/zinc/30/99/57/1014309957.db2.gz LSUIFOKLMDPTJB-INIZCTEOSA-N 2 0 321.534 3.795 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nc2ccccc2[nH]1 ZINC000154381090 1014373565 /nfs/dbraw/zinc/37/35/65/1014373565.db2.gz BNKJKUNODVFNSM-KSSFIOAISA-N 2 0 314.477 3.580 20 0 DHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000520632433 1014392234 /nfs/dbraw/zinc/39/22/34/1014392234.db2.gz VLWSRIRBODVYOT-RBUKOAKNSA-N 2 0 318.505 3.584 20 0 DHADRP [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CCC(C(F)F)CC2)CC1 ZINC000895112648 1014445491 /nfs/dbraw/zinc/44/54/91/1014445491.db2.gz QLZMLKQHGHHNQS-DHAXNPMCSA-N 2 0 323.431 3.982 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccnc2ccccc12 ZINC000665239456 1014518486 /nfs/dbraw/zinc/51/84/86/1014518486.db2.gz UGTNWUVMCXRYLZ-WMZOPIPTSA-N 2 0 311.473 3.678 20 0 DHADRP C[C@@H]1CC([NH2+]C[C@@H]2CC(C)(C)O2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012536 1014608872 /nfs/dbraw/zinc/60/88/72/1014608872.db2.gz BUVSLGNWULBOMJ-MDZRGWNJSA-N 2 0 316.489 3.585 20 0 DHADRP C[C@H]1CC([NH2+]CCCCCCO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012126 1014606954 /nfs/dbraw/zinc/60/69/54/1014606954.db2.gz WPPZALSTQDJBIF-ROUUACIJSA-N 2 0 318.505 3.570 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)O2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012538 1014613827 /nfs/dbraw/zinc/61/38/27/1014613827.db2.gz BUVSLGNWULBOMJ-UKBAYJJMSA-N 2 0 316.489 3.585 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012595 1014614599 /nfs/dbraw/zinc/61/45/99/1014614599.db2.gz CODWWQJMAHZSQH-HGKCTWBKSA-N 2 0 318.530 3.913 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000581216091 1014617769 /nfs/dbraw/zinc/61/77/69/1014617769.db2.gz YGGCOEWXHPENEM-OALUTQOASA-N 2 0 323.569 3.741 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nsc2ccccc12 ZINC000665275014 1014637809 /nfs/dbraw/zinc/63/78/09/1014637809.db2.gz ASDYTWGHGLYGOW-CABCVRRESA-N 2 0 317.502 3.739 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)c1 ZINC000665279422 1014665571 /nfs/dbraw/zinc/66/55/71/1014665571.db2.gz BYGXLUNXLRBNJA-MOFQQNDTSA-N 2 0 304.865 3.708 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccccc1OC(F)F ZINC000665281112 1014668041 /nfs/dbraw/zinc/66/80/41/1014668041.db2.gz VBHZWBFZWICKPW-ZIAGYGMSSA-N 2 0 300.393 3.702 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c2ccccc2)cc1 ZINC000665281491 1014673836 /nfs/dbraw/zinc/67/38/36/1014673836.db2.gz FAXVSIVVTJKPDV-WOJBJXKFSA-N 2 0 312.457 3.748 20 0 DHADRP CCN(C)CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781735 1014729929 /nfs/dbraw/zinc/72/99/29/1014729929.db2.gz PWGGKQSLXHCUAX-GOEBONIOSA-N 2 0 314.395 3.883 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926138262 1014734493 /nfs/dbraw/zinc/73/44/93/1014734493.db2.gz LZAMGQZMTVFGHV-ZACQAIPSSA-N 2 0 304.478 3.604 20 0 DHADRP CSc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000442849683 1014746222 /nfs/dbraw/zinc/74/62/22/1014746222.db2.gz CLGJMZZVRDMJNL-CVEARBPZSA-N 2 0 322.518 3.560 20 0 DHADRP C[C@@H]1C[C@@H](NCc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000090720734 1014764218 /nfs/dbraw/zinc/76/42/18/1014764218.db2.gz KXIPUESSAHIOJX-MFKMUULPSA-N 2 0 318.795 3.514 20 0 DHADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000262057296 1014770452 /nfs/dbraw/zinc/77/04/52/1014770452.db2.gz DNIGSFUWERJXMO-ARFHVFGLSA-N 2 0 312.379 3.716 20 0 DHADRP C=Cn1cc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)cn1 ZINC000349405488 1014779074 /nfs/dbraw/zinc/77/90/74/1014779074.db2.gz JKLQVZZEFNQTIA-UHFFFAOYSA-N 2 0 318.509 3.564 20 0 DHADRP CCN(CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000349414530 1014822906 /nfs/dbraw/zinc/82/29/06/1014822906.db2.gz GUKZHLZOJVVFPN-UHFFFAOYSA-N 2 0 320.868 3.504 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000191065385 1014839087 /nfs/dbraw/zinc/83/90/87/1014839087.db2.gz SMIFWPLFJSKKHY-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1ccnc1 ZINC000276244377 1014892847 /nfs/dbraw/zinc/89/28/47/1014892847.db2.gz VBQMJHJNDVXULQ-UHFFFAOYSA-N 2 0 311.351 3.513 20 0 DHADRP CCOC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000474087541 1014991105 /nfs/dbraw/zinc/99/11/05/1014991105.db2.gz GVERNENUIXMUBL-NEWSRXKRSA-N 2 0 310.526 3.680 20 0 DHADRP Clc1ccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000581607632 1015044512 /nfs/dbraw/zinc/04/45/12/1015044512.db2.gz NAWPCCRKMHPMAY-GJZGRUSLSA-N 2 0 316.832 3.641 20 0 DHADRP C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000341280509 1015131882 /nfs/dbraw/zinc/13/18/82/1015131882.db2.gz VKKBALIDOXMMJX-FUHWJXTLSA-N 2 0 316.489 3.828 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000033829384 1015151781 /nfs/dbraw/zinc/15/17/81/1015151781.db2.gz KGINNJCVISGZNG-FPOVZHCZSA-N 2 0 308.469 3.926 20 0 DHADRP CC(C)Cc1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656786118 1015157268 /nfs/dbraw/zinc/15/72/68/1015157268.db2.gz KRMDJTFUFAOTGV-MRXNPFEDSA-N 2 0 321.534 3.553 20 0 DHADRP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786585 1015159479 /nfs/dbraw/zinc/15/94/79/1015159479.db2.gz UWPAJEIIPFPPDH-MRXNPFEDSA-N 2 0 319.518 3.622 20 0 DHADRP c1csc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000729543667 1015225342 /nfs/dbraw/zinc/22/53/42/1015225342.db2.gz MKCAELLGQBGIDF-KRWDZBQOSA-N 2 0 306.519 3.879 20 0 DHADRP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)c1 ZINC000581726610 1015277897 /nfs/dbraw/zinc/27/78/97/1015277897.db2.gz VEXKFILHDDAJGW-CABCVRRESA-N 2 0 316.445 3.596 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000474463716 1015380468 /nfs/dbraw/zinc/38/04/68/1015380468.db2.gz FZNAKTPYZKQONN-CVEARBPZSA-N 2 0 322.493 3.516 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCCCC1 ZINC000474597422 1015474274 /nfs/dbraw/zinc/47/42/74/1015474274.db2.gz HGYRIGMOWDJCLK-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000896390604 1015569338 /nfs/dbraw/zinc/56/93/38/1015569338.db2.gz DFICJEPYRGSGRW-UHFFFAOYSA-N 2 0 321.896 3.930 20 0 DHADRP C[C@@H]1CC(N2Cc3cccnc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041996 1015620017 /nfs/dbraw/zinc/62/00/17/1015620017.db2.gz XLUSRNUJVNSWAD-IAGOWNOFSA-N 2 0 321.468 3.839 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474823521 1015624123 /nfs/dbraw/zinc/62/41/23/1015624123.db2.gz UXXGHOSBOHNMSQ-XHJNMGKDSA-N 2 0 312.910 3.966 20 0 DHADRP CCN(CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474898261 1015696453 /nfs/dbraw/zinc/69/64/53/1015696453.db2.gz WMXAARVPWUDUFX-RWMBFGLXSA-N 2 0 300.899 3.825 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000684556842 1015732639 /nfs/dbraw/zinc/73/26/39/1015732639.db2.gz CKTWNHGVCVLDNM-FXAWDEMLSA-N 2 0 323.484 3.871 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CC=CC2)[C@H]1C(C)C ZINC000648072487 1015790913 /nfs/dbraw/zinc/79/09/13/1015790913.db2.gz DYXAOUVARZMFAQ-LJQANCHMSA-N 2 0 322.456 3.752 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@H](C)OCc2ccccc2)C1 ZINC000475040107 1015792866 /nfs/dbraw/zinc/79/28/66/1015792866.db2.gz USKNZKCJPZBECP-AZUAARDMSA-N 2 0 318.505 3.646 20 0 DHADRP CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000153973240 1015828907 /nfs/dbraw/zinc/82/89/07/1015828907.db2.gz UUJUHLBJAWKLEB-CRAIPNDOSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281141574 1015840596 /nfs/dbraw/zinc/84/05/96/1015840596.db2.gz FXMXWTMKBAHSCO-HNAYVOBHSA-N 2 0 319.468 3.916 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000151036398 1016016076 /nfs/dbraw/zinc/01/60/76/1016016076.db2.gz HJXSMLVEEFCZIY-GXTWGEPZSA-N 2 0 319.836 3.519 20 0 DHADRP COC1(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000582017494 1016304009 /nfs/dbraw/zinc/30/40/09/1016304009.db2.gz QOTPEIVOVBMEIS-AEFFLSMTSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000056524952 1016362888 /nfs/dbraw/zinc/36/28/88/1016362888.db2.gz DZUPIXPEPOHLML-UHFFFAOYSA-N 2 0 314.395 3.869 20 0 DHADRP CCc1cccc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)c1 ZINC000346431715 1016392007 /nfs/dbraw/zinc/39/20/07/1016392007.db2.gz JDUJQJFABBXRCT-UHFFFAOYSA-N 2 0 318.505 3.572 20 0 DHADRP CCCOc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(C)c1 ZINC000657348288 1016395163 /nfs/dbraw/zinc/39/51/63/1016395163.db2.gz QQULUPLUEVOMAM-UHFFFAOYSA-N 2 0 304.478 3.605 20 0 DHADRP Cc1noc(C)c1CN1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001279571876 1016413869 /nfs/dbraw/zinc/41/38/69/1016413869.db2.gz BLUNKKWPXODUTL-LJQANCHMSA-N 2 0 317.477 3.522 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000346651110 1016483783 /nfs/dbraw/zinc/48/37/83/1016483783.db2.gz GYMVCUPVTQZATA-JSGCOSHPSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346666504 1016500895 /nfs/dbraw/zinc/50/08/95/1016500895.db2.gz YKFYBSVQBFXDDZ-GXTWGEPZSA-N 2 0 304.434 3.723 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(Cl)oc4ccccc43)C[C@@H]21 ZINC000346819607 1016564346 /nfs/dbraw/zinc/56/43/46/1016564346.db2.gz HTIVVSLGHDFMCA-OSAQELSMSA-N 2 0 304.821 3.645 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]21 ZINC000346819738 1016564404 /nfs/dbraw/zinc/56/44/04/1016564404.db2.gz DYRQAHVAQHWULD-RPVQJOFSSA-N 2 0 314.404 3.645 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cccc4cccnc43)c2)CC1 ZINC000629716253 1016586598 /nfs/dbraw/zinc/58/65/98/1016586598.db2.gz XPMSWDNFLDPAMP-UHFFFAOYSA-N 2 0 317.436 3.825 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(Cc2ccc(F)cc2F)CC1 ZINC001207288866 1016643803 /nfs/dbraw/zinc/64/38/03/1016643803.db2.gz WRVBSLQERKDGTC-UHFFFAOYSA-N 2 0 324.459 3.807 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000347032491 1016700347 /nfs/dbraw/zinc/70/03/47/1016700347.db2.gz ABVXOFQTWDBVEZ-UHFFFAOYSA-N 2 0 317.864 3.710 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CC[C@@H]1[NH3+] ZINC000347053078 1016705269 /nfs/dbraw/zinc/70/52/69/1016705269.db2.gz RYQMODYYROTSQE-LRDDRELGSA-N 2 0 304.434 3.723 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000582413084 1016719162 /nfs/dbraw/zinc/71/91/62/1016719162.db2.gz XKKXFJKXDNKGQI-ICSRJNTNSA-N 2 0 316.489 3.638 20 0 DHADRP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347094179 1016725092 /nfs/dbraw/zinc/72/50/92/1016725092.db2.gz QNCYIMJCGUBTFA-DZGCQCFKSA-N 2 0 302.805 3.949 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000347128269 1016748021 /nfs/dbraw/zinc/74/80/21/1016748021.db2.gz PETKDDYKJNDODK-CQSZACIVSA-N 2 0 300.471 3.974 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC(F)F)c1 ZINC000337565730 1016756843 /nfs/dbraw/zinc/75/68/43/1016756843.db2.gz BEOZNVPWRWWDEI-QEJZJMRPSA-N 2 0 310.388 3.565 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339068214 1016790339 /nfs/dbraw/zinc/79/03/39/1016790339.db2.gz MRWHOCCYYCXNNG-GSEOLPGOSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347224726 1016795923 /nfs/dbraw/zinc/79/59/23/1016795923.db2.gz VFXAWTYCKUPOHP-RDJZCZTQSA-N 2 0 302.462 3.567 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000174774372 1016838321 /nfs/dbraw/zinc/83/83/21/1016838321.db2.gz ZHYLZWUBIOTCRE-CZUORRHYSA-N 2 0 314.395 3.868 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000671295587 1016868606 /nfs/dbraw/zinc/86/86/06/1016868606.db2.gz DWLFSEBMYRLDIH-XNFNUYLZSA-N 2 0 316.489 3.509 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CCC2 ZINC000657456986 1016901145 /nfs/dbraw/zinc/90/11/45/1016901145.db2.gz NRIOXUSOCAGHMT-IBGZPJMESA-N 2 0 322.387 3.574 20 0 DHADRP C[C@H]1CC(n2ccc3c2CC[NH2+]C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054667 1016935102 /nfs/dbraw/zinc/93/51/02/1016935102.db2.gz AENFNEJMINKBDF-IRXDYDNUSA-N 2 0 323.484 3.748 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623335322 1016965462 /nfs/dbraw/zinc/96/54/62/1016965462.db2.gz HRENQMWNIHDRJR-CQSZACIVSA-N 2 0 312.885 3.949 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343268 1016973592 /nfs/dbraw/zinc/97/35/92/1016973592.db2.gz JKWWAYMXXUWMKV-WMZOPIPTSA-N 2 0 304.478 3.855 20 0 DHADRP C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000623347196 1016976532 /nfs/dbraw/zinc/97/65/32/1016976532.db2.gz RIIWSJOUVQGRDR-QWHCGFSZSA-N 2 0 312.404 3.811 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623357499 1016986229 /nfs/dbraw/zinc/98/62/29/1016986229.db2.gz SECKBDCTPYJAJW-HUUCEWRRSA-N 2 0 320.477 3.536 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)CC1(C)C ZINC000623387683 1017014014 /nfs/dbraw/zinc/01/40/14/1017014014.db2.gz PUDZFLDSCWJIBN-QGZVFWFLSA-N 2 0 304.453 3.710 20 0 DHADRP Fc1cccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000192931698 1017030476 /nfs/dbraw/zinc/03/04/76/1017030476.db2.gz DJCNPDKCZOYWKF-INIZCTEOSA-N 2 0 316.395 3.577 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415005 1017031880 /nfs/dbraw/zinc/03/18/80/1017031880.db2.gz WZMZPDDTJGKQKH-MRXNPFEDSA-N 2 0 304.478 3.651 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000152862292 1017032176 /nfs/dbraw/zinc/03/21/76/1017032176.db2.gz MOKSEWOVRXOCEY-PXNSSMCTSA-N 2 0 317.521 3.893 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440400 1017048243 /nfs/dbraw/zinc/04/82/43/1017048243.db2.gz ULNWOBNCAWUWHB-LSDHHAIUSA-N 2 0 324.896 3.960 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435719 1017048453 /nfs/dbraw/zinc/04/84/53/1017048453.db2.gz PWQWPJMAPXILJN-UKRRQHHQSA-N 2 0 310.869 3.570 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623437801 1017056600 /nfs/dbraw/zinc/05/66/00/1017056600.db2.gz ZQVGNHMXGKUIMJ-QYZOEREBSA-N 2 0 316.489 3.678 20 0 DHADRP Cc1nc([C@@H]2CCC[N@@H+](CCCn3ccnc3C)C2)sc1C ZINC000361944165 1032165557 /nfs/dbraw/zinc/16/55/57/1032165557.db2.gz NAQVIELIVAYTIM-MRXNPFEDSA-N 2 0 318.490 3.535 20 0 DHADRP CCCCCC[N@H+](C)CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000073129126 1017233715 /nfs/dbraw/zinc/23/37/15/1017233715.db2.gz WABAAVQWDSVJPH-UHFFFAOYSA-N 2 0 319.493 3.507 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246782202 1032202671 /nfs/dbraw/zinc/20/26/71/1032202671.db2.gz PZKZDAJHMDHLSM-RYUDHWBXSA-N 2 0 301.261 3.595 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)C1CC[NH2+]CC1 ZINC001246692369 1032200465 /nfs/dbraw/zinc/20/04/65/1032200465.db2.gz FYTRLZKJZREXIM-LLVKDONJSA-N 2 0 301.261 3.608 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC[NH2+]CC1 ZINC001246692389 1032201864 /nfs/dbraw/zinc/20/18/64/1032201864.db2.gz GAFWGTKVXKWCEK-GFCCVEGCSA-N 2 0 315.288 3.998 20 0 DHADRP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1CCC([NH+](C)C)CC1 ZINC001168316332 1032230238 /nfs/dbraw/zinc/23/02/38/1032230238.db2.gz XWKPHMNMNZYPPH-IPJUCJBFSA-N 2 0 318.505 3.821 20 0 DHADRP C[N@H+](CCCC[NH3+])[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246892997 1032261177 /nfs/dbraw/zinc/26/11/77/1032261177.db2.gz PYEWJEPRGIKRPI-ZDUSSCGKSA-N 2 0 301.261 3.521 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494086 1017071637 /nfs/dbraw/zinc/07/16/37/1017071637.db2.gz AODDLMAMHNQBRY-OAHLLOKOSA-N 2 0 300.446 3.746 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1(C)C ZINC000623511918 1017076421 /nfs/dbraw/zinc/07/64/21/1017076421.db2.gz LWLHRJDTLFSMRT-SZMVWBNQSA-N 2 0 304.453 3.924 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001168327555 1032289654 /nfs/dbraw/zinc/28/96/54/1032289654.db2.gz ONFLAXPTZJBDCH-SOAGJPPSSA-N 2 0 316.489 3.540 20 0 DHADRP C[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000057993975 1032325372 /nfs/dbraw/zinc/32/53/72/1032325372.db2.gz UULDAMTVBNLWNE-ZDUSSCGKSA-N 2 0 300.368 3.527 20 0 DHADRP [NH2+]=C(NC1CCC(c2ccc(Cl)cc2)CC1)SCC[NH3+] ZINC001168337900 1032385707 /nfs/dbraw/zinc/38/57/07/1032385707.db2.gz RDJIRMKTTLLZJR-UHFFFAOYSA-N 2 0 311.882 3.582 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000120709176 1032394363 /nfs/dbraw/zinc/39/43/63/1032394363.db2.gz SLMSIRLKLPCYAN-CYBMUJFWSA-N 2 0 312.404 3.813 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000121198108 1032426894 /nfs/dbraw/zinc/42/68/94/1032426894.db2.gz QOOKVNAUCMRZRL-INIZCTEOSA-N 2 0 304.478 3.714 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000121212854 1032429328 /nfs/dbraw/zinc/42/93/28/1032429328.db2.gz GTILOLXTCHHOQS-DLBZAZTESA-N 2 0 304.478 3.714 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636084 1032440295 /nfs/dbraw/zinc/44/02/95/1032440295.db2.gz KKLGXOILEVXAKU-MAUKXSAKSA-N 2 0 316.489 3.705 20 0 DHADRP C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000091733571 1032452218 /nfs/dbraw/zinc/45/22/18/1032452218.db2.gz WRVUQUUJGAPBLR-RDBSUJKOSA-N 2 0 307.507 3.545 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684953389 1017086150 /nfs/dbraw/zinc/08/61/50/1017086150.db2.gz MLPYWTDVXOKXFV-LMMKCTJWSA-N 2 0 315.505 3.807 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171342008 1032462616 /nfs/dbraw/zinc/46/26/16/1032462616.db2.gz RQXDLSQWVJSBOE-KRWDZBQOSA-N 2 0 322.443 3.532 20 0 DHADRP CCSCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612879915 1032474571 /nfs/dbraw/zinc/47/45/71/1032474571.db2.gz BRFZYENWKRQPIC-CEXWTWQISA-N 2 0 318.530 3.630 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)C1 ZINC000121956429 1032491514 /nfs/dbraw/zinc/49/15/14/1032491514.db2.gz CRCUIWAESJTBRZ-WMLDXEAASA-N 2 0 322.880 3.794 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1)CC(C)(C)CC[NH3+] ZINC001171356261 1032514229 /nfs/dbraw/zinc/51/42/29/1032514229.db2.gz ZJJMKKARHBXCMB-BBRMVZONSA-N 2 0 324.459 3.813 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000122400421 1032540691 /nfs/dbraw/zinc/54/06/91/1032540691.db2.gz TWUWJVHCZAUMND-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cc2)c1 ZINC000122549011 1032556521 /nfs/dbraw/zinc/55/65/21/1032556521.db2.gz YWHMAWYHHNFNHH-IERDGZPVSA-N 2 0 324.468 3.792 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000424301575 1011963387 /nfs/dbraw/zinc/96/33/87/1011963387.db2.gz XRZHIPHSZUCELD-KRWDZBQOSA-N 2 0 324.468 3.683 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000061626378 1011982660 /nfs/dbraw/zinc/98/26/60/1011982660.db2.gz CDZZCBDTBIPJOF-LBPRGKRZSA-N 2 0 300.368 3.525 20 0 DHADRP CC[C@@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647936312 1012011530 /nfs/dbraw/zinc/01/15/30/1012011530.db2.gz BGTFQWMMIILOMS-GDBMZVCRSA-N 2 0 314.395 3.697 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(-c3ccccc3)o1)CC[NH2+]CC2 ZINC000424381869 1012018394 /nfs/dbraw/zinc/01/83/94/1012018394.db2.gz REOWARMQIROHLW-INIZCTEOSA-N 2 0 310.441 3.911 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@@H](C(C)C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000579768164 1012063080 /nfs/dbraw/zinc/06/30/80/1012063080.db2.gz FXYXMTWOFGITNM-BBWFWOEESA-N 2 0 312.567 3.864 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OC)cc1 ZINC000643546953 1012098221 /nfs/dbraw/zinc/09/82/21/1012098221.db2.gz XKARZRMPXBLDEN-AEFFLSMTSA-N 2 0 302.462 3.801 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546862 1012105160 /nfs/dbraw/zinc/10/51/60/1012105160.db2.gz VXJBCDKYNGOMQD-FUHWJXTLSA-N 2 0 314.473 3.781 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954501 1032606568 /nfs/dbraw/zinc/60/65/68/1032606568.db2.gz WLEBEMLIIMJTSV-IAQYHMDHSA-N 2 0 313.272 3.656 20 0 DHADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715174748 1032615403 /nfs/dbraw/zinc/61/54/03/1032615403.db2.gz ZBTFDDMAHGCPNV-KKXNLOMOSA-N 2 0 318.505 3.834 20 0 DHADRP Cc1c(CN2C[C@H](C[NH3+])CC[C@H]2C)cccc1C(F)(F)F ZINC001206770970 1012350945 /nfs/dbraw/zinc/35/09/45/1012350945.db2.gz VHRHDSKVGRXARG-YPMHNXCESA-N 2 0 300.368 3.573 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171419460 1032628419 /nfs/dbraw/zinc/62/84/19/1032628419.db2.gz QMGAHGDOFBXBQE-KURKYZTESA-N 2 0 318.480 3.926 20 0 DHADRP Cc1nc(CNc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[nH]c1C ZINC000514873627 1012479514 /nfs/dbraw/zinc/47/95/14/1012479514.db2.gz PTZASNIWSCRJTQ-CQSZACIVSA-N 2 0 312.461 3.871 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C2CC2)[C@H](C)C1 ZINC000514956822 1012521284 /nfs/dbraw/zinc/52/12/84/1012521284.db2.gz ULUKYJDEWQBMHD-SJLPKXTDSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515069161 1012553411 /nfs/dbraw/zinc/55/34/11/1012553411.db2.gz YLAFKYFDSHFQSG-ZDUSSCGKSA-N 2 0 316.395 3.804 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000515417510 1012622417 /nfs/dbraw/zinc/62/24/17/1012622417.db2.gz WURYOGZKIIGNRP-WFASDCNBSA-N 2 0 300.368 3.840 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)CCc1c(F)cccc1Cl ZINC000179494663 1012691208 /nfs/dbraw/zinc/69/12/08/1012691208.db2.gz WICZWSRPVQYYIU-UHFFFAOYSA-N 2 0 309.816 3.549 20 0 DHADRP CCN(CC)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)CC(C)C ZINC000515729818 1012710185 /nfs/dbraw/zinc/71/01/85/1012710185.db2.gz OVEFOZWIXIAMAV-XBMUEBEBSA-N 2 0 310.526 3.824 20 0 DHADRP COc1ccc2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000515845370 1012732865 /nfs/dbraw/zinc/73/28/65/1012732865.db2.gz DJVVSICFMIKTDK-FQEVSTJZSA-N 2 0 324.468 3.670 20 0 DHADRP Cc1cc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)nc(C(C)C)n1 ZINC001167089967 1012844004 /nfs/dbraw/zinc/84/40/04/1012844004.db2.gz ZPRPXCGMOPBPFA-UHFFFAOYSA-N 2 0 324.403 3.637 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)[C@H](C)C1 ZINC000517226394 1012937506 /nfs/dbraw/zinc/93/75/06/1012937506.db2.gz RKZHRLPWBFBLFI-ADAWSYLGSA-N 2 0 306.881 3.906 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000666962208 1032669810 /nfs/dbraw/zinc/66/98/10/1032669810.db2.gz LLZZBLOJONHTJA-IUCAKERBSA-N 2 0 307.652 3.864 20 0 DHADRP COCC[C@@H](c1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000339869036 1012982009 /nfs/dbraw/zinc/98/20/09/1012982009.db2.gz YGYRJRZTDHOOMO-OALUTQOASA-N 2 0 304.478 3.570 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c2ccccc12 ZINC000425939860 1012982140 /nfs/dbraw/zinc/98/21/40/1012982140.db2.gz FALVZNGQNMMKBZ-HUUCEWRRSA-N 2 0 300.446 3.697 20 0 DHADRP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000366682683 1012983493 /nfs/dbraw/zinc/98/34/93/1012983493.db2.gz TZIIDPAQIVKHIP-ROUUACIJSA-N 2 0 322.537 3.826 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H](C)C1 ZINC000366687102 1013002746 /nfs/dbraw/zinc/00/27/46/1013002746.db2.gz WALFIOHHXDIVNO-CSBKYJRVSA-N 2 0 308.416 3.531 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000180094947 1013030340 /nfs/dbraw/zinc/03/03/40/1013030340.db2.gz RGSPZRWFSWLCCM-APWZRJJASA-N 2 0 318.530 3.877 20 0 DHADRP CCC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000180098038 1013035176 /nfs/dbraw/zinc/03/51/76/1013035176.db2.gz KHVVGEVWNZSPBS-UHFFFAOYSA-N 2 0 315.505 3.591 20 0 DHADRP CC[NH+](CC)[C@@H](CNc1cc[nH+]c2ccccc12)c1ccco1 ZINC000517651256 1013037258 /nfs/dbraw/zinc/03/72/58/1013037258.db2.gz AZDVOYRHWXPRTN-SFHVURJKSA-N 2 0 309.413 3.745 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000342743418 1017144425 /nfs/dbraw/zinc/14/44/25/1017144425.db2.gz UNANFQQVOZTSAT-IBGZPJMESA-N 2 0 313.420 3.523 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000475336167 1017150917 /nfs/dbraw/zinc/15/09/17/1017150917.db2.gz STBZYGNDBHYZNE-VQIMIIECSA-N 2 0 304.453 3.926 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000623679330 1017168879 /nfs/dbraw/zinc/16/88/79/1017168879.db2.gz RSLCJESOFTWGAO-NCXUSEDFSA-N 2 0 308.510 3.577 20 0 DHADRP c1c2ccccc2oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179174165 1017221826 /nfs/dbraw/zinc/22/18/26/1017221826.db2.gz PHLCHLUFKSFVLO-VQIMIIECSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccn1 ZINC000657536115 1017222396 /nfs/dbraw/zinc/22/23/96/1017222396.db2.gz TWLIIMOCCSCOPD-INIZCTEOSA-N 2 0 301.478 3.572 20 0 DHADRP COc1cccc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1F ZINC000192708548 1017297175 /nfs/dbraw/zinc/29/71/75/1017297175.db2.gz QEDGLFFIICTRKS-ZBFHGGJFSA-N 2 0 320.452 3.577 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000716329562 1032696516 /nfs/dbraw/zinc/69/65/16/1032696516.db2.gz RCZWZOHVTMHXSX-HZSPNIEDSA-N 2 0 313.272 3.514 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657560680 1017388297 /nfs/dbraw/zinc/38/82/97/1017388297.db2.gz CACWHYILHUAGFM-QGZVFWFLSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cccc(CC[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475552141 1017423064 /nfs/dbraw/zinc/42/30/64/1017423064.db2.gz BPXFBWLNZHNCPA-KKXNLOMOSA-N 2 0 300.490 3.923 20 0 DHADRP FC1(F)C[C@H]1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716635413 1032699450 /nfs/dbraw/zinc/69/94/50/1032699450.db2.gz FSLJDPPWNJMEBJ-MHORFTMASA-N 2 0 320.427 3.674 20 0 DHADRP COc1ccc([C@@H](C)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000180470575 1017451685 /nfs/dbraw/zinc/45/16/85/1017451685.db2.gz YELHUESBWIOLEO-ZWKOTPCHSA-N 2 0 316.489 3.607 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)ccn1 ZINC000716717059 1032701337 /nfs/dbraw/zinc/70/13/37/1032701337.db2.gz ILXJGUDTEZDDNS-HBMCJLEFSA-N 2 0 321.468 3.533 20 0 DHADRP Cc1cc(CN2CCC[NH2+]CC2)ccc1Oc1ccc(F)cc1 ZINC001204685016 1017495120 /nfs/dbraw/zinc/49/51/20/1017495120.db2.gz RSIRYLKGCIPQOX-UHFFFAOYSA-N 2 0 314.404 3.722 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1 ZINC000173374980 1032703755 /nfs/dbraw/zinc/70/37/55/1032703755.db2.gz LYUFTZWFSOMURS-SFHVURJKSA-N 2 0 324.896 3.882 20 0 DHADRP CC[C@@H](CSC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716684819 1032704125 /nfs/dbraw/zinc/70/41/25/1032704125.db2.gz VVWAIGTVHNHQRK-VJANTYMQSA-N 2 0 318.530 3.771 20 0 DHADRP CCCC1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000314907315 1032708087 /nfs/dbraw/zinc/70/80/87/1032708087.db2.gz FYXRGEPTVCRKGD-UHFFFAOYSA-N 2 0 301.478 3.999 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623928395 1017584282 /nfs/dbraw/zinc/58/42/82/1017584282.db2.gz OMYUPNBSPXLIBF-NSHDSACASA-N 2 0 316.342 3.757 20 0 DHADRP Cc1cc(C)cc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000444604227 1017587444 /nfs/dbraw/zinc/58/74/44/1017587444.db2.gz APGRBGJQGVQPIZ-IBGZPJMESA-N 2 0 300.490 3.969 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCCCO1 ZINC000623923648 1017589309 /nfs/dbraw/zinc/58/93/09/1017589309.db2.gz HKRRPYVYYJZVBZ-MKCYZYCBSA-N 2 0 308.510 3.577 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171453060 1032711328 /nfs/dbraw/zinc/71/13/28/1032711328.db2.gz LKWJSWHGHJWFLH-KRWDZBQOSA-N 2 0 322.443 3.806 20 0 DHADRP Cc1nc(C(C)C)ccc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000339008799 1032712778 /nfs/dbraw/zinc/71/27/78/1032712778.db2.gz BPTMHLDGKRRJSW-GOSISDBHSA-N 2 0 315.505 3.677 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000624122445 1017694345 /nfs/dbraw/zinc/69/43/45/1017694345.db2.gz RJKRAMBSNADBHO-MXWWQKGMSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123657 1017696619 /nfs/dbraw/zinc/69/66/19/1017696619.db2.gz PVZWJYUNSFAXFS-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000624146278 1017701526 /nfs/dbraw/zinc/70/15/26/1017701526.db2.gz XRGGVUWOINYAJW-WDSOQIARSA-N 2 0 310.526 3.680 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)[C@H](C)C1 ZINC000624146035 1017709125 /nfs/dbraw/zinc/70/91/25/1017709125.db2.gz PDDADVLSWXAOPS-NCXUSEDFSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657667742 1017719290 /nfs/dbraw/zinc/71/92/90/1017719290.db2.gz XYJDEODTKLOWGH-DJIMGWMZSA-N 2 0 308.416 3.674 20 0 DHADRP C[C@]1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1(F)F ZINC000657670814 1017731523 /nfs/dbraw/zinc/73/15/23/1017731523.db2.gz PNHADWOHPYUGGC-INIZCTEOSA-N 2 0 300.437 3.809 20 0 DHADRP C[C@H]([NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000181368273 1017741989 /nfs/dbraw/zinc/74/19/89/1017741989.db2.gz LAOJEEWKKUSEJC-ROUUACIJSA-N 2 0 312.457 3.705 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000181368311 1017743490 /nfs/dbraw/zinc/74/34/90/1017743490.db2.gz LAOJEEWKKUSEJC-QZTJIDSGSA-N 2 0 312.457 3.705 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(OCC2CC2)c(F)c1 ZINC000181594458 1017770414 /nfs/dbraw/zinc/77/04/14/1017770414.db2.gz QDHHULJTBDEKDN-YOEHRIQHSA-N 2 0 320.452 3.749 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CC3CC[NH+](C)CC3)oc21 ZINC000181700399 1017789476 /nfs/dbraw/zinc/78/94/76/1017789476.db2.gz OSXPQYMVMMLNIV-AWEZNQCLSA-N 2 0 316.445 3.824 20 0 DHADRP CSC1(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000356188414 1017800483 /nfs/dbraw/zinc/80/04/83/1017800483.db2.gz DGLNFUUNXSGSKR-INIZCTEOSA-N 2 0 306.519 3.772 20 0 DHADRP CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090778530 1017817571 /nfs/dbraw/zinc/81/75/71/1017817571.db2.gz XDPRVPUMGOGMBX-WBVHZDCISA-N 2 0 306.519 3.877 20 0 DHADRP Clc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090940948 1017832627 /nfs/dbraw/zinc/83/26/27/1017832627.db2.gz ZBECKDXVPOCZMO-LSDHHAIUSA-N 2 0 304.865 3.588 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000122842500 1018023135 /nfs/dbraw/zinc/02/31/35/1018023135.db2.gz SSGJRHKZQNUFCS-INIZCTEOSA-N 2 0 316.489 3.710 20 0 DHADRP COc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000380189334 1018133079 /nfs/dbraw/zinc/13/30/79/1018133079.db2.gz PRBCISHLEJVLFJ-PXNSSMCTSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657738681 1018150654 /nfs/dbraw/zinc/15/06/54/1018150654.db2.gz NANOXNBLMGUNED-DJIMGWMZSA-N 2 0 322.443 3.920 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000278126166 1018172940 /nfs/dbraw/zinc/17/29/40/1018172940.db2.gz UDMYBWYZPVEDBC-ZDUSSCGKSA-N 2 0 324.415 3.813 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000658357309 1018183250 /nfs/dbraw/zinc/18/32/50/1018183250.db2.gz SSJUUWQEFBGMQX-GFCCVEGCSA-N 2 0 307.507 3.533 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOC(C)(C)C)C1 ZINC000674907627 1018189715 /nfs/dbraw/zinc/18/97/15/1018189715.db2.gz DZPYIGCBUVCTMO-MSOLQXFVSA-N 2 0 310.526 3.778 20 0 DHADRP CCCC[C@@H](CC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166863 1018195412 /nfs/dbraw/zinc/19/54/12/1018195412.db2.gz QGSBEBVZQSCMJH-LJQANCHMSA-N 2 0 303.494 3.852 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000446759527 1018245692 /nfs/dbraw/zinc/24/56/92/1018245692.db2.gz GKEXWDOCBKEWHR-AZUAARDMSA-N 2 0 318.505 3.549 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000566480971 1018265421 /nfs/dbraw/zinc/26/54/21/1018265421.db2.gz CWZQYSDZQGKIQK-HUUCEWRRSA-N 2 0 312.379 3.944 20 0 DHADRP C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658219484 1018289558 /nfs/dbraw/zinc/28/95/58/1018289558.db2.gz ITMWDMOPCJCODX-SZMVWBNQSA-N 2 0 322.443 3.922 20 0 DHADRP CSC1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000381946722 1018289750 /nfs/dbraw/zinc/28/97/50/1018289750.db2.gz ZGQUTCSKHBXAMB-WMZOPIPTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H](CCc1ccccc1)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446915934 1018291206 /nfs/dbraw/zinc/29/12/06/1018291206.db2.gz YUPCPRODVQBRQR-QGZVFWFLSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000446931968 1018296282 /nfs/dbraw/zinc/29/62/82/1018296282.db2.gz GFQLQOXUKDOIAQ-ZCNNSNEGSA-N 2 0 318.505 3.690 20 0 DHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1(F)CC1 ZINC000525996406 1018420239 /nfs/dbraw/zinc/42/02/39/1018420239.db2.gz VYCVSRFVLAUZSP-UHFFFAOYSA-N 2 0 302.393 3.503 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447567634 1018427003 /nfs/dbraw/zinc/42/70/03/1018427003.db2.gz CTQXMJBQPGLCIQ-YJYMSZOUSA-N 2 0 302.437 3.523 20 0 DHADRP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)o1 ZINC000536022650 1018454476 /nfs/dbraw/zinc/45/44/76/1018454476.db2.gz UEJRPMBICKHRPT-OAHLLOKOSA-N 2 0 322.412 3.753 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000447822607 1018478691 /nfs/dbraw/zinc/47/86/91/1018478691.db2.gz QQRAONBZPLQQLG-CQSZACIVSA-N 2 0 312.860 3.733 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccccc1OCc1ccccc1 ZINC000635005227 1018509221 /nfs/dbraw/zinc/50/92/21/1018509221.db2.gz SRSXDDAPVQEMHR-DLBZAZTESA-N 2 0 312.457 3.524 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000635006336 1018509976 /nfs/dbraw/zinc/50/99/76/1018509976.db2.gz MELGZTDGPRBYAN-HUBLWGQQSA-N 2 0 300.368 3.874 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc(C[NH+](C)C)c1 ZINC000926504088 1018520526 /nfs/dbraw/zinc/52/05/26/1018520526.db2.gz IVMSTOZHNXQHHW-MRXNPFEDSA-N 2 0 311.473 3.772 20 0 DHADRP CC[C@H](OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710528 1018534268 /nfs/dbraw/zinc/53/42/68/1018534268.db2.gz QSNIHGKPJAGYNA-YRPNKDGESA-N 2 0 316.489 3.665 20 0 DHADRP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527239161 1018535193 /nfs/dbraw/zinc/53/51/93/1018535193.db2.gz QRABBTCRYQWCLR-VQIMIIECSA-N 2 0 314.498 3.791 20 0 DHADRP C[C@@H]1CCCN(Cc2csc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000650711328 1018538606 /nfs/dbraw/zinc/53/86/06/1018538606.db2.gz PTCOCTARZIQPFJ-OCCSQVGLSA-N 2 0 321.515 3.821 20 0 DHADRP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527350124 1018554778 /nfs/dbraw/zinc/55/47/78/1018554778.db2.gz ZARLGTLVHMOSGM-LPHOPBHVSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717332 1018559765 /nfs/dbraw/zinc/55/97/65/1018559765.db2.gz XTCLVTKSRHLPKQ-ZDUSSCGKSA-N 2 0 304.384 3.534 20 0 DHADRP Cc1ccoc1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772458 1018570944 /nfs/dbraw/zinc/57/09/44/1018570944.db2.gz NGSWCPAWVAKOPP-IBGZPJMESA-N 2 0 324.468 3.980 20 0 DHADRP CSc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000583596312 1018582713 /nfs/dbraw/zinc/58/27/13/1018582713.db2.gz FMZWILMIQFJZJC-CQSZACIVSA-N 2 0 310.532 3.634 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000675813128 1018599036 /nfs/dbraw/zinc/59/90/36/1018599036.db2.gz GIZQAKUMSJKZSA-AQNXPRMDSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(O)CCCC1 ZINC000449741265 1018608950 /nfs/dbraw/zinc/60/89/50/1018608950.db2.gz SZTDUGNDGBXLKJ-UHFFFAOYSA-N 2 0 322.537 3.704 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000675925501 1018626845 /nfs/dbraw/zinc/62/68/45/1018626845.db2.gz WUACSLHBKUGXDQ-AHRSYUTCSA-N 2 0 316.489 3.535 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000675928486 1018634462 /nfs/dbraw/zinc/63/44/62/1018634462.db2.gz OQRZVYXWZWISRO-OPYAIIAOSA-N 2 0 323.484 3.828 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000650745372 1018641260 /nfs/dbraw/zinc/64/12/60/1018641260.db2.gz FEMFLIJROQOAIC-OAHLLOKOSA-N 2 0 323.278 3.545 20 0 DHADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000650744930 1018641434 /nfs/dbraw/zinc/64/14/34/1018641434.db2.gz YIRTZXZFAGVHTF-ZDUSSCGKSA-N 2 0 301.459 3.590 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000126965757 1018665932 /nfs/dbraw/zinc/66/59/32/1018665932.db2.gz JKNSMPVMKGPHMQ-AWEZNQCLSA-N 2 0 315.486 3.898 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCCCC2 ZINC000650754372 1018677892 /nfs/dbraw/zinc/67/78/92/1018677892.db2.gz HLEURGPTZOQITQ-ROUUACIJSA-N 2 0 320.452 3.502 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000650755933 1018682201 /nfs/dbraw/zinc/68/22/01/1018682201.db2.gz PPXVIXQAEPCPGN-HNNXBMFYSA-N 2 0 305.425 3.805 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000650755563 1018684007 /nfs/dbraw/zinc/68/40/07/1018684007.db2.gz HSGDDIPEHKWRFY-HNNXBMFYSA-N 2 0 312.461 3.568 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000650756584 1018685560 /nfs/dbraw/zinc/68/55/60/1018685560.db2.gz FFUWITVZNNDZLL-HXUWFJFHSA-N 2 0 324.468 3.927 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000650756319 1018688350 /nfs/dbraw/zinc/68/83/50/1018688350.db2.gz ZIKISBGXMTXRDL-HNNXBMFYSA-N 2 0 320.358 3.600 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000650758603 1018693488 /nfs/dbraw/zinc/69/34/88/1018693488.db2.gz SXIJVEAHNQODRI-CYBMUJFWSA-N 2 0 311.454 3.867 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000650763780 1018710109 /nfs/dbraw/zinc/71/01/09/1018710109.db2.gz JIZGKUUSCBSUPC-GFCCVEGCSA-N 2 0 300.368 3.746 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763667 1018710827 /nfs/dbraw/zinc/71/08/27/1018710827.db2.gz GRYLMPHUQOKNLA-HNNXBMFYSA-N 2 0 313.272 3.960 20 0 DHADRP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000650764268 1018713406 /nfs/dbraw/zinc/71/34/06/1018713406.db2.gz UXUCAIHAPYKAOT-HEHGZKQESA-N 2 0 324.390 3.672 20 0 DHADRP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000650764267 1018714420 /nfs/dbraw/zinc/71/44/20/1018714420.db2.gz UXUCAIHAPYKAOT-DVOMOZLQSA-N 2 0 324.390 3.672 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000642626928 1018733863 /nfs/dbraw/zinc/73/38/63/1018733863.db2.gz KKNAFOMLIRSDCR-SFHVURJKSA-N 2 0 316.489 3.853 20 0 DHADRP Cc1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000156239337 1018735025 /nfs/dbraw/zinc/73/50/25/1018735025.db2.gz DPVVPCKHVRVXRW-IAGOWNOFSA-N 2 0 323.484 3.636 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657813684 1018799907 /nfs/dbraw/zinc/79/99/07/1018799907.db2.gz XQLMKGAXHSCERZ-OWOJBTEDSA-N 2 0 302.437 3.551 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1F ZINC000657816685 1018822913 /nfs/dbraw/zinc/82/29/13/1018822913.db2.gz ZBENOLJEGDDQJM-UPHRSURJSA-N 2 0 320.427 3.690 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)CCO1 ZINC000315348780 1018837329 /nfs/dbraw/zinc/83/73/29/1018837329.db2.gz GVSQCHQWKUNHOC-OALUTQOASA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H](c1cccc(Br)c1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388696634 1018850042 /nfs/dbraw/zinc/85/00/42/1018850042.db2.gz FEJGHMQGGVHYNM-INWMFGNUSA-N 2 0 323.278 3.571 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH+]1CCC3(CC[NH+](C)CC3)CC1)C2 ZINC001171576010 1032790093 /nfs/dbraw/zinc/79/00/93/1032790093.db2.gz ZWPJVDSVVNGEPC-IBGZPJMESA-N 2 0 312.501 3.660 20 0 DHADRP C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H]([NH3+])CC(F)F ZINC000903905670 1018867001 /nfs/dbraw/zinc/86/70/01/1018867001.db2.gz LIJMBOZFSIPAIR-WPRPVWTQSA-N 2 0 311.203 3.969 20 0 DHADRP C1CC[NH+](C2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)CC1 ZINC000921823227 1018913235 /nfs/dbraw/zinc/91/32/35/1018913235.db2.gz SZQSCOWLTCFECD-ZPTVKNSZSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC001171630087 1032796526 /nfs/dbraw/zinc/79/65/26/1032796526.db2.gz IIKZQFVWRPOAMH-CQSZACIVSA-N 2 0 316.489 3.924 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1(C)C ZINC001171631443 1032795385 /nfs/dbraw/zinc/79/53/85/1032795385.db2.gz IPPLJYFXAINAOE-DGCLKSJQSA-N 2 0 324.406 3.718 20 0 DHADRP C[NH+](C)C[C@@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171619279 1032801965 /nfs/dbraw/zinc/80/19/65/1032801965.db2.gz IDRJNPAHTGDUBR-GOSISDBHSA-N 2 0 317.521 3.530 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000584184648 1019009204 /nfs/dbraw/zinc/00/92/04/1019009204.db2.gz XAUBSPWXQBGZLO-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171619070 1032801639 /nfs/dbraw/zinc/80/16/39/1032801639.db2.gz GSJSKSMQZQRFEJ-CQSZACIVSA-N 2 0 304.478 3.997 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC[C@H](C(C)(C)O)CC2)CC1(C)C ZINC001171622232 1032803043 /nfs/dbraw/zinc/80/30/43/1032803043.db2.gz XYMGDPYAPLWZNS-SHTZXODSSA-N 2 0 310.526 3.557 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCC1 ZINC000657836386 1019039555 /nfs/dbraw/zinc/03/95/55/1019039555.db2.gz RUAMUHWHDNYCFN-INIZCTEOSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@]1(C[NH2+][C@@H]2CCCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000692437246 1019042915 /nfs/dbraw/zinc/04/29/15/1019042915.db2.gz RTHGQMNNJOCPLL-RTBURBONSA-N 2 0 318.530 3.774 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000387123834 1019047019 /nfs/dbraw/zinc/04/70/19/1019047019.db2.gz IDVCTUXYAHIXOS-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2(C)Cc3ccccc3C2)CC1(C)C ZINC001171626090 1032805349 /nfs/dbraw/zinc/80/53/49/1032805349.db2.gz VLWFNDPMRUZGNR-UHFFFAOYSA-N 2 0 300.490 3.785 20 0 DHADRP c1ccc([C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCS2)cc1 ZINC000923315835 1019124560 /nfs/dbraw/zinc/12/45/60/1019124560.db2.gz MVDMPXOSDBLGBZ-DQXYTYHJSA-N 2 0 316.514 3.697 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000635006286 1019131460 /nfs/dbraw/zinc/13/14/60/1019131460.db2.gz LWKMUJNKPNSMSE-HUBLWGQQSA-N 2 0 310.894 3.984 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3ccc(F)cc3C2)CC1(C)C ZINC001171626802 1032810031 /nfs/dbraw/zinc/81/00/31/1032810031.db2.gz BPADFLZDUVOQSL-QGZVFWFLSA-N 2 0 318.480 3.924 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC(C)(C)Cc2ccccn2)CC1(C)C ZINC001171626859 1032810178 /nfs/dbraw/zinc/81/01/78/1032810178.db2.gz DQIANNKNPNKIDB-UHFFFAOYSA-N 2 0 317.521 3.891 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923453001 1019211700 /nfs/dbraw/zinc/21/17/00/1019211700.db2.gz VDKSNUWAMCRJCR-QFBILLFUSA-N 2 0 316.489 3.701 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250241848 1019212765 /nfs/dbraw/zinc/21/27/65/1019212765.db2.gz IFNLHUFDKTXUEW-KZNAEPCWSA-N 2 0 306.881 3.783 20 0 DHADRP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923497351 1019243390 /nfs/dbraw/zinc/24/33/90/1019243390.db2.gz LEBVPUUGTGEYPM-GOEBONIOSA-N 2 0 315.486 3.535 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC000347679338 1019288587 /nfs/dbraw/zinc/28/85/87/1019288587.db2.gz NLOMGNBZXQYJCY-JKSUJKDBSA-N 2 0 320.477 3.537 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)ccc2n1 ZINC000322745904 1019341583 /nfs/dbraw/zinc/34/15/83/1019341583.db2.gz CLZOJKUCGMMQBY-RTBURBONSA-N 2 0 309.457 3.507 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)ccc2n1 ZINC000322745902 1019342984 /nfs/dbraw/zinc/34/29/84/1019342984.db2.gz CLZOJKUCGMMQBY-RBUKOAKNSA-N 2 0 309.457 3.507 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cc2)cc1 ZINC000090115113 1019400155 /nfs/dbraw/zinc/40/01/55/1019400155.db2.gz PUHSVSCOZDAJAA-IERDGZPVSA-N 2 0 324.468 3.792 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCC2)cc1 ZINC000166488060 1019403157 /nfs/dbraw/zinc/40/31/57/1019403157.db2.gz JRGSKNCSYIDAQL-IPMKNSEASA-N 2 0 302.437 3.883 20 0 DHADRP FC(F)n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000858295116 1032835435 /nfs/dbraw/zinc/83/54/35/1032835435.db2.gz WCVWNHNMRDAQLW-CABCVRRESA-N 2 0 319.399 3.753 20 0 DHADRP COc1cccc(CC[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171640015 1032836513 /nfs/dbraw/zinc/83/65/13/1032836513.db2.gz ZDMQSBVNEVLHIX-UHFFFAOYSA-N 2 0 318.505 3.821 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092739032 1019533966 /nfs/dbraw/zinc/53/39/66/1019533966.db2.gz QLRGUGRNVNIBLC-OAHLLOKOSA-N 2 0 315.436 3.912 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1(C)C ZINC001171638152 1032836975 /nfs/dbraw/zinc/83/69/75/1032836975.db2.gz UNRGCWMILUWJIU-QGZVFWFLSA-N 2 0 301.478 3.870 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000093844538 1019588126 /nfs/dbraw/zinc/58/81/26/1019588126.db2.gz JZMGWTBKZPGBSX-QGZVFWFLSA-N 2 0 303.494 3.502 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001168703771 1019599412 /nfs/dbraw/zinc/59/94/12/1019599412.db2.gz AXFYGRHNZOSXPX-MRXNPFEDSA-N 2 0 318.892 3.661 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2c[nH]c3c2cccc3Cl)CC1 ZINC000624331101 1019601424 /nfs/dbraw/zinc/60/14/24/1019601424.db2.gz NDAHNYZARSGUIU-UHFFFAOYSA-N 2 0 319.880 3.826 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168705206 1019622063 /nfs/dbraw/zinc/62/20/63/1019622063.db2.gz RVFMIDFQRIYZFZ-MRXNPFEDSA-N 2 0 306.881 3.519 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC000671716449 1019648482 /nfs/dbraw/zinc/64/84/82/1019648482.db2.gz BUWNTVISBSFBAD-ARJAWSKDSA-N 2 0 320.427 3.975 20 0 DHADRP COC1([C@@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)CCC1 ZINC000657882699 1019738957 /nfs/dbraw/zinc/73/89/57/1019738957.db2.gz UXFHKQLQBNMUPJ-JKSUJKDBSA-N 2 0 304.478 3.663 20 0 DHADRP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344200 1019768620 /nfs/dbraw/zinc/76/86/20/1019768620.db2.gz LTNBIDHOMSXFJK-AHRSYUTCSA-N 2 0 300.490 3.890 20 0 DHADRP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1CCOc2ccccc21 ZINC000685459595 1019853539 /nfs/dbraw/zinc/85/35/39/1019853539.db2.gz FFJAKCINTKONOO-KRWDZBQOSA-N 2 0 304.478 3.607 20 0 DHADRP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1CCOc2ccccc21 ZINC000685459598 1019853746 /nfs/dbraw/zinc/85/37/46/1019853746.db2.gz FFJAKCINTKONOO-QGZVFWFLSA-N 2 0 304.478 3.607 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000671739658 1019871278 /nfs/dbraw/zinc/87/12/78/1019871278.db2.gz NOTVAWOSGYFUSU-XUVXKRRUSA-N 2 0 300.490 3.698 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC000708563981 1019882429 /nfs/dbraw/zinc/88/24/29/1019882429.db2.gz RBKIUFGFGQXFFC-XLIONFOSSA-N 2 0 300.490 3.924 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628226841 1019908290 /nfs/dbraw/zinc/90/82/90/1019908290.db2.gz GNOQFUCBIRBIEQ-LSDHHAIUSA-N 2 0 310.432 3.920 20 0 DHADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000671747814 1019917028 /nfs/dbraw/zinc/91/70/28/1019917028.db2.gz PLXNFSUIWPKZJA-MLGOLLRUSA-N 2 0 319.449 3.550 20 0 DHADRP C[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cncs1 ZINC000309648066 1019925281 /nfs/dbraw/zinc/92/52/81/1019925281.db2.gz DQXLDTJANMMPMZ-QAPCUYQASA-N 2 0 315.486 3.706 20 0 DHADRP CC[C@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537252 1019949039 /nfs/dbraw/zinc/94/90/39/1019949039.db2.gz FFSXPNAJOQWTQB-PKOBYXMFSA-N 2 0 322.537 3.683 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000480628442 1020011286 /nfs/dbraw/zinc/01/12/86/1020011286.db2.gz YBOCWJALKDDPFM-HNAYVOBHSA-N 2 0 304.453 3.915 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C(F)(F)F)CC3)CC2)C1 ZINC000671768080 1020026720 /nfs/dbraw/zinc/02/67/20/1020026720.db2.gz NKQKYYONYHIZQM-UKRRQHHQSA-N 2 0 318.427 3.962 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000922505501 1020108104 /nfs/dbraw/zinc/10/81/04/1020108104.db2.gz SWJZNYNLGXZOBZ-UHFFFAOYSA-N 2 0 313.445 3.715 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000658061815 1020112487 /nfs/dbraw/zinc/11/24/87/1020112487.db2.gz CUQPPQQYMLBQBP-LMMKCTJWSA-N 2 0 315.505 3.818 20 0 DHADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067428 1020126696 /nfs/dbraw/zinc/12/66/96/1020126696.db2.gz NZHGGBCVBFIMKR-UXHICEINSA-N 2 0 322.537 3.682 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000658070440 1020128692 /nfs/dbraw/zinc/12/86/92/1020128692.db2.gz OWBGXOJAQGHZPJ-HNNXBMFYSA-N 2 0 322.518 3.598 20 0 DHADRP C([NH2+][C@@H]1CCCC12CCCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000658069506 1020129627 /nfs/dbraw/zinc/12/96/27/1020129627.db2.gz GHYAXPQQDNRFET-LJQANCHMSA-N 2 0 320.521 3.580 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658091003 1020134378 /nfs/dbraw/zinc/13/43/78/1020134378.db2.gz OGQFKLZZHITHHG-ILZDJORESA-N 2 0 322.537 3.824 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+][C@H]3CCCC34CCC4)CC2)ccn1 ZINC000658162503 1020195118 /nfs/dbraw/zinc/19/51/18/1020195118.db2.gz DOCJAVIADXBJLI-IBGZPJMESA-N 2 0 313.489 3.606 20 0 DHADRP C[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165214 1020197560 /nfs/dbraw/zinc/19/75/60/1020197560.db2.gz QGXWFEHCHLQZLL-FXAWDEMLSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCOC(C)(C)C)CC2)C1 ZINC000658187599 1020210547 /nfs/dbraw/zinc/21/05/47/1020210547.db2.gz XIHUJDATEJPJPK-WMZOPIPTSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCOC(C)(C)C)CC2)C1 ZINC000658187592 1020211053 /nfs/dbraw/zinc/21/10/53/1020211053.db2.gz XIHUJDATEJPJPK-FUHWJXTLSA-N 2 0 310.526 3.824 20 0 DHADRP Cc1scc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000399903537 1020233435 /nfs/dbraw/zinc/23/34/35/1020233435.db2.gz BJUADVXFGVDBRY-UHFFFAOYSA-N 2 0 301.459 3.519 20 0 DHADRP CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001119990318 1020266215 /nfs/dbraw/zinc/26/62/15/1020266215.db2.gz VKPSFVMTOHMJFW-MJBXVCDLSA-N 2 0 310.532 3.632 20 0 DHADRP CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001119990316 1020267118 /nfs/dbraw/zinc/26/71/18/1020267118.db2.gz VKPSFVMTOHMJFW-IHRRRGAJSA-N 2 0 310.532 3.632 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658281175 1020274584 /nfs/dbraw/zinc/27/45/84/1020274584.db2.gz NMNXJMWTSHMEGS-USXIJHARSA-N 2 0 322.443 3.778 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000658281136 1020275262 /nfs/dbraw/zinc/27/52/62/1020275262.db2.gz BJGGJBRNOSYNIB-UHFFFAOYSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658280993 1020275301 /nfs/dbraw/zinc/27/53/01/1020275301.db2.gz NMNXJMWTSHMEGS-UAGQMJEPSA-N 2 0 322.443 3.778 20 0 DHADRP C[C@H]([NH2+]CCCc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658325524 1020302938 /nfs/dbraw/zinc/30/29/38/1020302938.db2.gz OMWKKJIODYHVQX-HKUYNNGSSA-N 2 0 312.457 3.712 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658353571 1020320521 /nfs/dbraw/zinc/32/05/21/1020320521.db2.gz PFYGQHAPEHTCGW-CZAAIQMYSA-N 2 0 312.501 3.890 20 0 DHADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356499 1020322329 /nfs/dbraw/zinc/32/23/29/1020322329.db2.gz ONDFAIJDXHUETG-HXUWFJFHSA-N 2 0 313.489 3.645 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421821513 1020322412 /nfs/dbraw/zinc/32/24/12/1020322412.db2.gz RVFKUMKDWNYKFQ-IEBWSBKVSA-N 2 0 315.505 3.573 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000843104240 1020331885 /nfs/dbraw/zinc/33/18/85/1020331885.db2.gz ILFFMHFONCKMNU-UHFFFAOYSA-N 2 0 306.759 3.718 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000892453565 1020372636 /nfs/dbraw/zinc/37/26/36/1020372636.db2.gz FLIWBOFWRNAIOL-SFHVURJKSA-N 2 0 318.461 3.908 20 0 DHADRP CCC[C@H](C)CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000625117057 1020378382 /nfs/dbraw/zinc/37/83/82/1020378382.db2.gz DFLIZPVNVHTGOG-SLFFLAALSA-N 2 0 323.569 3.693 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc(F)cc2C)cc1 ZINC000892460848 1020380996 /nfs/dbraw/zinc/38/09/96/1020380996.db2.gz VNAMTBCUPWNIMC-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000655804009 1020399880 /nfs/dbraw/zinc/39/98/80/1020399880.db2.gz LUWFJSSZFURHGH-OXXUSNJHSA-N 2 0 306.881 3.906 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000655847907 1020421115 /nfs/dbraw/zinc/42/11/15/1020421115.db2.gz FRMJLDHBKRRSAJ-ULQDDVLXSA-N 2 0 302.487 3.830 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000655848884 1020422187 /nfs/dbraw/zinc/42/21/87/1020422187.db2.gz LAGPGKUOPSOTBK-IAOVAPTHSA-N 2 0 324.415 3.956 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C)ns2)cc1 ZINC000404496150 1020427105 /nfs/dbraw/zinc/42/71/05/1020427105.db2.gz QXFIBKWBLOWDMB-UHFFFAOYSA-N 2 0 303.475 3.583 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000921686689 1020446504 /nfs/dbraw/zinc/44/65/04/1020446504.db2.gz NSZZXRNYUIBVKX-UHFFFAOYSA-N 2 0 323.484 3.702 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474486323 1020496859 /nfs/dbraw/zinc/49/68/59/1020496859.db2.gz GVBFEKGSBOOFGX-ZUJMUWTESA-N 2 0 306.416 3.675 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CCCCCC[NH3+])s2)cc1 ZINC000843128498 1020512193 /nfs/dbraw/zinc/51/21/93/1020512193.db2.gz WPTSVZTWUNZRJJ-UHFFFAOYSA-N 2 0 303.475 3.727 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCCCC2 ZINC000378878427 1020523389 /nfs/dbraw/zinc/52/33/89/1020523389.db2.gz CSGVNANLXQYQKK-QZTJIDSGSA-N 2 0 322.537 3.967 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665720 1020543774 /nfs/dbraw/zinc/54/37/74/1020543774.db2.gz KVKCTWWWBWMPEE-INMHGKMJSA-N 2 0 306.519 3.659 20 0 DHADRP Clc1ccc2cccnc2c1CN(C1CC1)C1CC[NH2+]CC1 ZINC000647482505 1020586188 /nfs/dbraw/zinc/58/61/88/1020586188.db2.gz KNAJUFSOVSLJHW-UHFFFAOYSA-N 2 0 315.848 3.605 20 0 DHADRP Fc1cccc(Cl)c1CCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482632 1020592452 /nfs/dbraw/zinc/59/24/52/1020592452.db2.gz VAYMREGOVSZLQV-UHFFFAOYSA-N 2 0 310.844 3.628 20 0 DHADRP O=C(CCCN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000294798678 1020605027 /nfs/dbraw/zinc/60/50/27/1020605027.db2.gz BZVHTGHXMFQBNK-UHFFFAOYSA-N 2 0 314.473 3.600 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1C ZINC000858491160 1032918372 /nfs/dbraw/zinc/91/83/72/1032918372.db2.gz ZHEIHAHYMAMUJC-SJORKVTESA-N 2 0 304.478 3.695 20 0 DHADRP CC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CC[C@@H]1[NH3+] ZINC000647499030 1020779352 /nfs/dbraw/zinc/77/93/52/1020779352.db2.gz XFOOKCANIFAJHI-KSSFIOAISA-N 2 0 300.471 3.974 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000414069194 1020843178 /nfs/dbraw/zinc/84/31/78/1020843178.db2.gz KILZRVFDYNHXLV-HNNXBMFYSA-N 2 0 302.462 3.529 20 0 DHADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000414123887 1020915189 /nfs/dbraw/zinc/91/51/89/1020915189.db2.gz BRUHCRNSZXMHGO-BACDZXNISA-N 2 0 308.510 3.575 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000739927023 1020924300 /nfs/dbraw/zinc/92/43/00/1020924300.db2.gz RJDGKYJMPSQDEB-FQEVSTJZSA-N 2 0 300.490 3.803 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414173392 1020961940 /nfs/dbraw/zinc/96/19/40/1020961940.db2.gz FOZWVVVJFQEYIK-KXBFYZLASA-N 2 0 316.489 3.739 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000414175292 1020963052 /nfs/dbraw/zinc/96/30/52/1020963052.db2.gz HJOGIDHGOTWHGD-LPHOPBHVSA-N 2 0 304.478 3.714 20 0 DHADRP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414177938 1020965762 /nfs/dbraw/zinc/96/57/62/1020965762.db2.gz JIQRBLGYVPZNBC-RDTXWAMCSA-N 2 0 310.432 3.983 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414181302 1020968241 /nfs/dbraw/zinc/96/82/41/1020968241.db2.gz LYOVARFFZWRNNJ-IBGZPJMESA-N 2 0 321.424 3.855 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]CC[C@@H]3CCC[N@H+](C)C3)oc21 ZINC000414194190 1020981978 /nfs/dbraw/zinc/98/19/78/1020981978.db2.gz ULVPCBNULFRUJN-GJZGRUSLSA-N 2 0 316.445 3.824 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000414194395 1020982314 /nfs/dbraw/zinc/98/23/14/1020982314.db2.gz URLICLIAGZLGBA-YOEHRIQHSA-N 2 0 322.880 3.875 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCCO2 ZINC000414195529 1020983471 /nfs/dbraw/zinc/98/34/71/1020983471.db2.gz WTKQKWHXHHKGIU-LJQANCHMSA-N 2 0 321.424 3.955 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1SC ZINC000414198269 1020985180 /nfs/dbraw/zinc/98/51/80/1020985180.db2.gz WWWLGXQMNBEUIE-HUUCEWRRSA-N 2 0 322.518 3.800 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CS1 ZINC000414230146 1021016579 /nfs/dbraw/zinc/01/65/79/1021016579.db2.gz NTYKINVZUXNTFF-BARLLCKDSA-N 2 0 318.530 3.913 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924580675 1021130752 /nfs/dbraw/zinc/13/07/52/1021130752.db2.gz ANIWJHJPUCNYIB-CQSZACIVSA-N 2 0 313.445 3.738 20 0 DHADRP Fc1ccccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889135 1021150332 /nfs/dbraw/zinc/15/03/32/1021150332.db2.gz NFIZQBJOBNFYEF-UHFFFAOYSA-N 2 0 304.453 3.914 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC001171971588 1032957717 /nfs/dbraw/zinc/95/77/17/1032957717.db2.gz WRJDCSRAJKCHBK-CYBMUJFWSA-N 2 0 314.395 3.662 20 0 DHADRP C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973067 1032958229 /nfs/dbraw/zinc/95/82/29/1032958229.db2.gz VQRFULIODORVFD-VQIMIIECSA-N 2 0 324.472 3.570 20 0 DHADRP c1ccc(OCCCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553868 1021161546 /nfs/dbraw/zinc/16/15/46/1021161546.db2.gz LLKIMCVXODSDLK-GOSISDBHSA-N 2 0 302.462 3.500 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)[C@H]1CCC[NH2+]C1 ZINC000423221624 1021163811 /nfs/dbraw/zinc/16/38/11/1021163811.db2.gz XEAZQKGCJIHEPY-SLEUVZQESA-N 2 0 310.894 3.855 20 0 DHADRP C[C@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)[C@H]1CCC[NH2+]C1 ZINC000423221623 1021164076 /nfs/dbraw/zinc/16/40/76/1021164076.db2.gz XEAZQKGCJIHEPY-HUBLWGQQSA-N 2 0 310.894 3.855 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000423296545 1021166595 /nfs/dbraw/zinc/16/65/95/1021166595.db2.gz ZIAJQYIVUQLDRD-NDXORKPFSA-N 2 0 323.484 3.631 20 0 DHADRP CCC[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975806 1032960618 /nfs/dbraw/zinc/96/06/18/1032960618.db2.gz OAULWTWALAHYPJ-RBUKOAKNSA-N 2 0 318.505 3.570 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000090586655 1021234010 /nfs/dbraw/zinc/23/40/10/1021234010.db2.gz ZMSJUYYWDXPTLU-DLBZAZTESA-N 2 0 304.478 3.714 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423452874 1021244679 /nfs/dbraw/zinc/24/46/79/1021244679.db2.gz KGGDWVAQMRYHEC-NHYWBVRUSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc(C[NH+](C)C)c1 ZINC000926795969 1021279756 /nfs/dbraw/zinc/27/97/56/1021279756.db2.gz CQELMJRERBCUPA-VQIMIIECSA-N 2 0 316.489 3.606 20 0 DHADRP Cc1noc(C)c1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166121126 1021386009 /nfs/dbraw/zinc/38/60/09/1021386009.db2.gz MYAWHNQSOFKEJV-UHFFFAOYSA-N 2 0 319.493 3.611 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC001172101599 1032981323 /nfs/dbraw/zinc/98/13/23/1032981323.db2.gz FUJRQQXILVKYEJ-MUJYYYPQSA-N 2 0 323.278 3.554 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2C[C@H]2C2CC2)C3)cc1 ZINC001172080047 1032981461 /nfs/dbraw/zinc/98/14/61/1032981461.db2.gz SJZNGURELBFDNL-SSTJLMRISA-N 2 0 310.485 3.960 20 0 DHADRP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077019 1032982736 /nfs/dbraw/zinc/98/27/36/1032982736.db2.gz OFOMAPXTYKOQQM-LWYYNNOASA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850466668 1021551694 /nfs/dbraw/zinc/55/16/94/1021551694.db2.gz URZOJJCLHCOBFO-HNNXBMFYSA-N 2 0 314.473 3.537 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000129886257 1021579720 /nfs/dbraw/zinc/57/97/20/1021579720.db2.gz WWXTWOMBTDWLDH-APWZRJJASA-N 2 0 303.494 3.671 20 0 DHADRP CN1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@H]1c1ccccc1 ZINC000556172097 1021587358 /nfs/dbraw/zinc/58/73/58/1021587358.db2.gz UGYGFTSCTYQXRQ-BZSNNMDCSA-N 2 0 316.489 3.758 20 0 DHADRP CC[NH+](CC)CCCNCc1ccc(Cl)c2cccnc12 ZINC000129970634 1021588210 /nfs/dbraw/zinc/58/82/10/1021588210.db2.gz NVLJJOIOGAJBIF-UHFFFAOYSA-N 2 0 305.853 3.710 20 0 DHADRP c1c2ccccc2sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597238 1021628971 /nfs/dbraw/zinc/62/89/71/1021628971.db2.gz QJMWHZMMZPWVPH-HNNXBMFYSA-N 2 0 300.471 3.819 20 0 DHADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556259937 1021640266 /nfs/dbraw/zinc/64/02/66/1021640266.db2.gz KARWITLATYGOBL-OUUBHVDSSA-N 2 0 316.464 3.767 20 0 DHADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2OC2CCCC2)C1 ZINC000093770020 1021675947 /nfs/dbraw/zinc/67/59/47/1021675947.db2.gz STUNUHCJLISALV-QGZVFWFLSA-N 2 0 316.489 3.782 20 0 DHADRP Cc1ncsc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000093844592 1021688320 /nfs/dbraw/zinc/68/83/20/1021688320.db2.gz JYEVCPVGGPRPIO-HNNXBMFYSA-N 2 0 321.534 3.928 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000926887214 1021775793 /nfs/dbraw/zinc/77/57/93/1021775793.db2.gz HEXNOCDNYXYJRH-IQNGYNMSSA-N 2 0 320.521 3.578 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000556589032 1021779930 /nfs/dbraw/zinc/77/99/30/1021779930.db2.gz HHDUDCZTYQZMJX-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CCC[NH3+])c3ccccc31)C2 ZINC001172108103 1033008307 /nfs/dbraw/zinc/00/83/07/1033008307.db2.gz PPBYDGQZRSUIEZ-BCDXTJNWSA-N 2 0 311.473 3.720 20 0 DHADRP CCCSC[C@@H](C)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000893080131 1021884471 /nfs/dbraw/zinc/88/44/71/1021884471.db2.gz NCSNIQKFFCNLHZ-NVXWUHKLSA-N 2 0 317.502 3.825 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)CC[C@H]2CCc3ccccc32)CC1 ZINC000659867415 1021885309 /nfs/dbraw/zinc/88/53/09/1021885309.db2.gz KKKAYZDXBGMAEZ-GOSISDBHSA-N 2 0 300.490 3.911 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)CC[C@@H]2CCc3ccccc32)CC1 ZINC000659867416 1021886329 /nfs/dbraw/zinc/88/63/29/1021886329.db2.gz KKKAYZDXBGMAEZ-SFHVURJKSA-N 2 0 300.490 3.911 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1C(F)(F)F ZINC000538244213 1033014127 /nfs/dbraw/zinc/01/41/27/1033014127.db2.gz HZKUVROAVTWVHM-STQMWFEESA-N 2 0 300.368 3.840 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000556869620 1021912808 /nfs/dbraw/zinc/91/28/08/1021912808.db2.gz AHPKAUNCGNXVIB-QRVBRYPASA-N 2 0 300.490 3.735 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@H]2CCC[C@H]21 ZINC000556879407 1021924058 /nfs/dbraw/zinc/92/40/58/1021924058.db2.gz SQDSIDYEIQXEFY-FAJAVTLNSA-N 2 0 316.464 3.924 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1cccc(Cl)c1 ZINC000556888090 1021930176 /nfs/dbraw/zinc/93/01/76/1021930176.db2.gz XCHKBAKKCHQRFX-RNJTYBCJSA-N 2 0 322.880 3.570 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000924658666 1033016697 /nfs/dbraw/zinc/01/66/97/1033016697.db2.gz RHJHXSHBJGSNLM-CQSZACIVSA-N 2 0 315.461 3.982 20 0 DHADRP C1CC1[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655788372 1021939467 /nfs/dbraw/zinc/93/94/67/1021939467.db2.gz IBEIZIQCGIDKOS-PMACEKPBSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000387258456 1022056714 /nfs/dbraw/zinc/05/67/14/1022056714.db2.gz FESWMCUSLALDCC-HZPDHXFCSA-N 2 0 300.490 3.946 20 0 DHADRP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001172119437 1033027202 /nfs/dbraw/zinc/02/72/02/1033027202.db2.gz ZVCXFFAXTGPXEG-VXIBKDFQSA-N 2 0 301.478 3.774 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172185672 1033029184 /nfs/dbraw/zinc/02/91/84/1033029184.db2.gz UIDXRUWTOGSGEH-NVXWUHKLSA-N 2 0 304.503 3.558 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCF)cc1C[NH+]1CCCCC1 ZINC000183350218 1022114369 /nfs/dbraw/zinc/11/43/69/1022114369.db2.gz RTILWTUYAIUKPL-OAHLLOKOSA-N 2 0 308.441 3.691 20 0 DHADRP CCCCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(C)C ZINC000766450666 1022120848 /nfs/dbraw/zinc/12/08/48/1022120848.db2.gz CDFSXYKRRLLJEO-MOPGFXCFSA-N 2 0 322.537 3.967 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000766494069 1022126921 /nfs/dbraw/zinc/12/69/21/1022126921.db2.gz FMOITEIRRWHOPL-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP Clc1cccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166666326 1022143197 /nfs/dbraw/zinc/14/31/97/1022143197.db2.gz QWZIWEIUVLPPJA-DLBZAZTESA-N 2 0 304.865 3.588 20 0 DHADRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000620514576 1022171352 /nfs/dbraw/zinc/17/13/52/1022171352.db2.gz KQJHICBWUVAGEU-HOTGVXAUSA-N 2 0 304.478 3.541 20 0 DHADRP Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc1C ZINC000414166778 1022174796 /nfs/dbraw/zinc/17/47/96/1022174796.db2.gz ODJAGOWNKJEIPG-QUCCMNQESA-N 2 0 309.457 3.624 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242041 1022241218 /nfs/dbraw/zinc/24/12/18/1022241218.db2.gz ZQDQAVOWMLJWTM-DOTOQJQBSA-N 2 0 304.453 3.907 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241763 1022242903 /nfs/dbraw/zinc/24/29/03/1022242903.db2.gz XOEJYSHLBKAGGE-WMZOPIPTSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Br)c1 ZINC001169099305 1022246475 /nfs/dbraw/zinc/24/64/75/1022246475.db2.gz PIKWJNQTLJFXEX-MPESAESLSA-N 2 0 323.278 3.725 20 0 DHADRP CN(CCc1nsc2ccccc21)CC[C@H]1CCCC[N@@H+]1C ZINC000659958835 1022250174 /nfs/dbraw/zinc/25/01/74/1022250174.db2.gz APLSCNXAIKAUIJ-OAHLLOKOSA-N 2 0 317.502 3.645 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001169085924 1022252661 /nfs/dbraw/zinc/25/26/61/1022252661.db2.gz PXMCEMWKGLSSTF-VQTJNVASSA-N 2 0 300.490 3.671 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001169084692 1022253364 /nfs/dbraw/zinc/25/33/64/1022253364.db2.gz JVHKQIUUISISEJ-IBGZPJMESA-N 2 0 300.490 3.671 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3ccc(Cl)cc31)C2 ZINC001169118351 1022258331 /nfs/dbraw/zinc/25/83/31/1022258331.db2.gz HVKPUGFICNNRPP-MUJYYYPQSA-N 2 0 317.864 3.594 20 0 DHADRP CCCCCC[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000766600425 1022261134 /nfs/dbraw/zinc/26/11/34/1022261134.db2.gz MBKIUFZMUZNNLA-RBUKOAKNSA-N 2 0 324.553 3.950 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1c1ccccc1)C2 ZINC001169111374 1022269140 /nfs/dbraw/zinc/26/91/40/1022269140.db2.gz PIFYUFDIIIHFIE-OQZLCYPDSA-N 2 0 310.485 3.784 20 0 DHADRP CC1(C)C[C@H](Nc2ccc(C3([NH3+])CCC3)cc2)C[C@@](C)(C[NH3+])C1 ZINC001169142986 1022275098 /nfs/dbraw/zinc/27/50/98/1022275098.db2.gz IRLMUEKLKRTWQA-PKOBYXMFSA-N 2 0 315.505 3.980 20 0 DHADRP CC1(C)C[C@@H](Nc2cc(OC(F)F)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169147636 1022279538 /nfs/dbraw/zinc/27/95/38/1022279538.db2.gz SBEIGQTUXWGBLS-BDJLRTHQSA-N 2 0 313.392 3.639 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Cc3ccccc3F)CC1)C2 ZINC001169148430 1022280057 /nfs/dbraw/zinc/28/00/57/1022280057.db2.gz YVRXLGKORRDKQZ-REPLKXPHSA-N 2 0 316.464 3.705 20 0 DHADRP CC(C)([NH3+])c1ccccc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169154866 1022286727 /nfs/dbraw/zinc/28/67/27/1022286727.db2.gz ZAIVSHJSDSBXMM-LIRRHRJNSA-N 2 0 303.494 3.836 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nsc3ccccc32)C[C@H]1C ZINC000659983659 1022293390 /nfs/dbraw/zinc/29/33/90/1022293390.db2.gz RZIJKPLVUWEAGQ-CABCVRRESA-N 2 0 317.502 3.643 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000651384586 1022327377 /nfs/dbraw/zinc/32/73/77/1022327377.db2.gz PVNSFIZVDQRSBU-PWIZWCRZSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268874757 1022386561 /nfs/dbraw/zinc/38/65/61/1022386561.db2.gz VECTUEIPMNOHNG-VQIMIIECSA-N 2 0 310.441 3.535 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)c1cccnc1 ZINC000155978571 1022429033 /nfs/dbraw/zinc/42/90/33/1022429033.db2.gz IILMNRNSFIEUBA-YLJYHZDGSA-N 2 0 309.457 3.787 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000620948028 1022449167 /nfs/dbraw/zinc/44/91/67/1022449167.db2.gz ACMYCEYOUMAZNF-KRWDZBQOSA-N 2 0 311.473 3.884 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000132736905 1033057720 /nfs/dbraw/zinc/05/77/20/1033057720.db2.gz NPRBYBWPIHNJJH-YLJYHZDGSA-N 2 0 316.489 3.618 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc2c1CC[C@H]2[NH3+] ZINC001169691772 1022503140 /nfs/dbraw/zinc/50/31/40/1022503140.db2.gz QQGAMENHBUPETF-QZTJIDSGSA-N 2 0 307.441 3.873 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172200735 1033059778 /nfs/dbraw/zinc/05/97/78/1033059778.db2.gz KMNQHQDZUOSHAQ-DOTOQJQBSA-N 2 0 304.503 3.544 20 0 DHADRP CC[NH+](CC)Cc1cc(OC)ccc1NC(C)(C)CC[NH+](C)C ZINC001169718184 1022517281 /nfs/dbraw/zinc/51/72/81/1022517281.db2.gz SSLDMHLBUWWRPO-UHFFFAOYSA-N 2 0 321.509 3.679 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@H]2COC(C)(C)C2)CC1)CC(C)C ZINC000660172697 1022637644 /nfs/dbraw/zinc/63/76/44/1022637644.db2.gz SRHZVJHSQNBING-GOSISDBHSA-N 2 0 310.526 3.634 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158564196 1022644064 /nfs/dbraw/zinc/64/40/64/1022644064.db2.gz KVNJUKOVUPEOPN-PBHICJAKSA-N 2 0 324.921 3.848 20 0 DHADRP COCCC[NH+]1CCC([NH2+]CCCCC2CCCCC2)CC1 ZINC001172249568 1033071620 /nfs/dbraw/zinc/07/16/20/1033071620.db2.gz OFXJPNWBVYYEBI-UHFFFAOYSA-N 2 0 310.526 3.828 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000316132271 1022678704 /nfs/dbraw/zinc/67/87/04/1022678704.db2.gz PAJRAADVCVITFK-UHFFFAOYSA-N 2 0 319.836 3.556 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000876499179 1033078310 /nfs/dbraw/zinc/07/83/10/1033078310.db2.gz AUAKEKQXIOFCTG-XOYHFGRZSA-N 2 0 307.869 3.575 20 0 DHADRP c1cn(CCC[NH+]2CCC(c3ccnc4ccccc43)CC2)cn1 ZINC000584847331 1022807962 /nfs/dbraw/zinc/80/79/62/1022807962.db2.gz KLTJVXCSWAEHQG-UHFFFAOYSA-N 2 0 320.440 3.701 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@H]3CC3(F)F)CC2)C1 ZINC000621734930 1022846784 /nfs/dbraw/zinc/84/67/84/1022846784.db2.gz ZVSXXIFNTFTJBT-IJEWVQPXSA-N 2 0 300.437 3.664 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000159233599 1022879785 /nfs/dbraw/zinc/87/97/85/1022879785.db2.gz UNHQWQBZRJKFLZ-MRXNPFEDSA-N 2 0 322.468 3.594 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000414922517 1022910307 /nfs/dbraw/zinc/91/03/07/1022910307.db2.gz HEVGUCDXICYNIK-STCOUPBVSA-N 2 0 302.462 3.581 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCCNc1cccc(F)c1)c1ccccc1 ZINC000925637848 1022920461 /nfs/dbraw/zinc/92/04/61/1022920461.db2.gz TVGNKZQUZZHHNP-IBGZPJMESA-N 2 0 315.436 3.698 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCOC1 ZINC000163943266 1022934215 /nfs/dbraw/zinc/93/42/15/1022934215.db2.gz RCVVPWLSMJOCBJ-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000319232921 1022936801 /nfs/dbraw/zinc/93/68/01/1022936801.db2.gz OXFKPPSPJZFZKI-WMLDXEAASA-N 2 0 303.425 3.658 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162564315 1022937163 /nfs/dbraw/zinc/93/71/63/1022937163.db2.gz DPVUITYRPRGHNO-OAHLLOKOSA-N 2 0 324.534 3.637 20 0 DHADRP FC1(F)CC(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000293798002 1022972081 /nfs/dbraw/zinc/97/20/81/1022972081.db2.gz UTZBCNSOKGBVEA-FGTMMUONSA-N 2 0 320.427 3.532 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1SC ZINC000165318885 1022978788 /nfs/dbraw/zinc/97/87/88/1022978788.db2.gz QIPZIMUQKRUPGB-GJZGRUSLSA-N 2 0 322.518 3.800 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000165618125 1022991134 /nfs/dbraw/zinc/99/11/34/1022991134.db2.gz SMTGUJPFUXTGFF-SFHVURJKSA-N 2 0 304.865 3.791 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043714 1023004858 /nfs/dbraw/zinc/00/48/58/1023004858.db2.gz IMMMMPBZFJDTDT-RYUDHWBXSA-N 2 0 300.368 3.800 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000768690928 1023015418 /nfs/dbraw/zinc/01/54/18/1023015418.db2.gz YIOBNAFVEXSTBD-QGZVFWFLSA-N 2 0 312.457 3.695 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925662541 1023016259 /nfs/dbraw/zinc/01/62/59/1023016259.db2.gz JDCBFIKLJNYHJU-BLONPCRPSA-N 2 0 304.865 3.705 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([C@@H]2CC[NH+](C)C2)cc1 ZINC001167755004 1023052964 /nfs/dbraw/zinc/05/29/64/1023052964.db2.gz YHILOEBDJFZSEH-IEBWSBKVSA-N 2 0 315.505 3.782 20 0 DHADRP CCCc1nc(C)c(C[NH2+][C@H](CCC[NH3+])c2ccccc2)o1 ZINC000925671655 1023059693 /nfs/dbraw/zinc/05/96/93/1023059693.db2.gz DYSQGNXVVDOIOU-MRXNPFEDSA-N 2 0 301.434 3.505 20 0 DHADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000364349292 1023066684 /nfs/dbraw/zinc/06/66/84/1023066684.db2.gz XCHMSVFPVYACJH-RTBURBONSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CCSCC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000925676239 1023080049 /nfs/dbraw/zinc/08/00/49/1023080049.db2.gz QCWMGJVFBICXGM-LBPRGKRZSA-N 2 0 320.424 3.694 20 0 DHADRP C[C@@H]([NH2+]CCSCC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000925676236 1023080465 /nfs/dbraw/zinc/08/04/65/1023080465.db2.gz QCWMGJVFBICXGM-GFCCVEGCSA-N 2 0 320.424 3.694 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C[C@@H]1C ZINC001172372351 1033106266 /nfs/dbraw/zinc/10/62/66/1033106266.db2.gz XMTBBQWWDXZZBB-VKJFTORMSA-N 2 0 304.453 3.900 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000769329269 1023125518 /nfs/dbraw/zinc/12/55/18/1023125518.db2.gz KQHXQWSMJASXDZ-WOJBJXKFSA-N 2 0 300.490 3.986 20 0 DHADRP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000194037718 1023149086 /nfs/dbraw/zinc/14/90/86/1023149086.db2.gz QVNMPVGZFOTXNM-UXHICEINSA-N 2 0 314.473 3.523 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCCCC2)CCN1C ZINC000769484209 1023153065 /nfs/dbraw/zinc/15/30/65/1023153065.db2.gz GIWHXAZKEKGQSA-MJGOQNOKSA-N 2 0 315.505 3.591 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769499950 1023167162 /nfs/dbraw/zinc/16/71/62/1023167162.db2.gz XYHYIXNXRHEKSN-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP Clc1cnc(C[NH2+]CCCCCCC[NH+]2CCCC2)s1 ZINC000769911569 1023231100 /nfs/dbraw/zinc/23/11/00/1023231100.db2.gz LSNKYFIWFBIKMH-UHFFFAOYSA-N 2 0 315.914 3.932 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001172337298 1033119721 /nfs/dbraw/zinc/11/97/21/1033119721.db2.gz PNHYTVHPRJZTII-IAGOWNOFSA-N 2 0 310.526 3.967 20 0 DHADRP FC1(F)CC12CCC([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC2 ZINC000925710625 1023320008 /nfs/dbraw/zinc/32/00/08/1023320008.db2.gz XIJDIBIGKIVQEI-JCCCHCCOSA-N 2 0 312.448 3.712 20 0 DHADRP FC1(F)CC12CCC([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC2 ZINC000925710610 1023320105 /nfs/dbraw/zinc/32/01/05/1023320105.db2.gz XIJDIBIGKIVQEI-GMRIPVOYSA-N 2 0 312.448 3.712 20 0 DHADRP C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000825893047 1033126148 /nfs/dbraw/zinc/12/61/48/1033126148.db2.gz NEJFAQHQAYGDLK-OXQOHEQNSA-N 2 0 318.424 3.850 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000925720792 1023428889 /nfs/dbraw/zinc/42/88/89/1023428889.db2.gz JUQMAZAICMMRGX-UONOGXRCSA-N 2 0 301.261 3.640 20 0 DHADRP CCC1(CC)CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000651719599 1023492110 /nfs/dbraw/zinc/49/21/10/1023492110.db2.gz YOLHDFORDQFFRP-QGZVFWFLSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)c3cccnc23)CC1 ZINC000337693093 1033140042 /nfs/dbraw/zinc/14/00/42/1033140042.db2.gz WGSDKDFBQRWFBF-UHFFFAOYSA-N 2 0 315.436 3.679 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000538722934 1033146222 /nfs/dbraw/zinc/14/62/22/1033146222.db2.gz APMVKUMILUWOEF-QGZVFWFLSA-N 2 0 316.489 3.564 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C[C@@H]1C ZINC001172365552 1033143823 /nfs/dbraw/zinc/14/38/23/1033143823.db2.gz ABKDMIUEIBPXES-GJYPPUQNSA-N 2 0 318.480 3.986 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172367168 1033147070 /nfs/dbraw/zinc/14/70/70/1033147070.db2.gz FTNFHXBVBKCKMB-BDUQCRIQSA-N 2 0 315.505 3.978 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)C[C@H]1C ZINC001172367147 1033147437 /nfs/dbraw/zinc/14/74/37/1033147437.db2.gz RDHYTGALTBFCOO-QWFCFKBJSA-N 2 0 322.537 3.636 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C[C@H]1C ZINC001172371014 1033151384 /nfs/dbraw/zinc/15/13/84/1033151384.db2.gz SLKDBGCBCRQVML-NUJGCVRESA-N 2 0 318.480 3.986 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)C[C@H]1C ZINC001172371892 1033151913 /nfs/dbraw/zinc/15/19/13/1033151913.db2.gz VQSOMLUNUHSVRX-MBOZVWFJSA-N 2 0 315.505 3.708 20 0 DHADRP FCC[C@H]1CCC[N@H+](CCCC[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661688083 1023689075 /nfs/dbraw/zinc/68/90/75/1023689075.db2.gz BDCZHJXFMZOSGO-HDICACEKSA-N 2 0 316.480 3.910 20 0 DHADRP FCC[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661688106 1023689863 /nfs/dbraw/zinc/68/98/63/1023689863.db2.gz BDCZHJXFMZOSGO-ROUUACIJSA-N 2 0 316.480 3.910 20 0 DHADRP CCn1cc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)c(C)n1 ZINC000893499409 1023717589 /nfs/dbraw/zinc/71/75/89/1023717589.db2.gz SWMLLZJSEWCHOB-UHFFFAOYSA-N 2 0 320.525 3.545 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348078 1023806547 /nfs/dbraw/zinc/80/65/47/1023806547.db2.gz TYGCDWQULWDKRY-SIUPPRGNSA-N 2 0 322.880 3.619 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000788026600 1023840296 /nfs/dbraw/zinc/84/02/96/1023840296.db2.gz YFFYXDLBHPJXEW-UXHICEINSA-N 2 0 300.490 3.719 20 0 DHADRP CCCCCC[C@@H](CCC)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172382852 1033170230 /nfs/dbraw/zinc/17/02/30/1033170230.db2.gz DSRPIGUIMWRJLH-HSALFYBXSA-N 2 0 323.569 3.836 20 0 DHADRP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206036377 1023952124 /nfs/dbraw/zinc/95/21/24/1023952124.db2.gz IZRPOTWKMYWBRV-UONOGXRCSA-N 2 0 310.869 3.546 20 0 DHADRP CCCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000388619579 1023960988 /nfs/dbraw/zinc/96/09/88/1023960988.db2.gz NKPHNKQVEUEAEH-SJLPKXTDSA-N 2 0 304.478 3.828 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184656751 1023961694 /nfs/dbraw/zinc/96/16/94/1023961694.db2.gz MXXHQSONDPMOQF-KURKYZTESA-N 2 0 308.510 3.530 20 0 DHADRP c1nc2n(c1CNc1cc(CCc3ccccc3)ccn1)CCC2 ZINC000663256968 1023977226 /nfs/dbraw/zinc/97/72/26/1023977226.db2.gz MQEDFEDZQZXGLM-UHFFFAOYSA-N 2 0 318.424 3.622 20 0 DHADRP CC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001172391055 1033175273 /nfs/dbraw/zinc/17/52/73/1033175273.db2.gz COSQLGNCPHQGBT-IBGZPJMESA-N 2 0 310.526 3.539 20 0 DHADRP Fc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662250833 1024032212 /nfs/dbraw/zinc/03/22/12/1024032212.db2.gz OZXZECNYHMDQSX-FQEVSTJZSA-N 2 0 310.416 3.809 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4)o3)CC[C@@H]21 ZINC000538797941 1033183110 /nfs/dbraw/zinc/18/31/10/1033183110.db2.gz GKXRVBPAJQJWKU-HKUYNNGSSA-N 2 0 310.441 3.863 20 0 DHADRP CC(C)OCC[NH+]1CCC(Nc2cc[nH+]c3ccccc23)CC1 ZINC000267010514 1024047154 /nfs/dbraw/zinc/04/71/54/1024047154.db2.gz GNBNEMNHHDZUFZ-UHFFFAOYSA-N 2 0 313.445 3.536 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001172399606 1033184646 /nfs/dbraw/zinc/18/46/46/1033184646.db2.gz JYHGQVYWQUGCPG-QGZVFWFLSA-N 2 0 304.478 3.770 20 0 DHADRP CC[C@@H](CC(C)C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172400289 1033184748 /nfs/dbraw/zinc/18/47/48/1033184748.db2.gz IZJSETFPORCDIM-DLBZAZTESA-N 2 0 310.526 3.823 20 0 DHADRP C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2F)CCC[C@@H]1C[NH3+] ZINC001206036592 1024060808 /nfs/dbraw/zinc/06/08/08/1024060808.db2.gz LSKDINDIRRUJMA-WDEREUQCSA-N 2 0 319.251 3.939 20 0 DHADRP C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)CC(C)(C)[NH3+] ZINC000662292744 1024074678 /nfs/dbraw/zinc/07/46/78/1024074678.db2.gz KQGKNRWISMZPQT-UHFFFAOYSA-N 2 0 318.383 3.534 20 0 DHADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291588 1024074785 /nfs/dbraw/zinc/07/47/85/1024074785.db2.gz ISADZBFPYKAJCO-ZFWWWQNUSA-N 2 0 308.416 3.737 20 0 DHADRP FC(F)c1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662291821 1024075250 /nfs/dbraw/zinc/07/52/50/1024075250.db2.gz ABFRCNPHKQRKLB-KRWDZBQOSA-N 2 0 308.416 3.836 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c2ccccc2n1 ZINC000662295061 1024077141 /nfs/dbraw/zinc/07/71/41/1024077141.db2.gz YZAFNVLJSMZGFZ-GOSISDBHSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294573 1024077172 /nfs/dbraw/zinc/07/71/72/1024077172.db2.gz CMBUFTSXSKFCHD-CZUORRHYSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC001172469698 1033186113 /nfs/dbraw/zinc/18/61/13/1033186113.db2.gz VUHPLCCKMUHFOY-ICSRJNTNSA-N 2 0 318.505 3.692 20 0 DHADRP CC[C@@H](CC(C)C)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172401452 1033186302 /nfs/dbraw/zinc/18/63/02/1033186302.db2.gz PGIIMKPWPDWDQW-FHWLQOOXSA-N 2 0 303.494 3.978 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172401954 1033186550 /nfs/dbraw/zinc/18/65/50/1033186550.db2.gz RGNHXLXREOXPSC-SFHVURJKSA-N 2 0 306.469 3.986 20 0 DHADRP C[C@@H](NC1(C[NH2+]C[C@@H]2CCC=CO2)CCCC1)c1ccccc1 ZINC000789743440 1024161097 /nfs/dbraw/zinc/16/10/97/1024161097.db2.gz ANLNRCNNOFJEAU-MJGOQNOKSA-N 2 0 314.473 3.932 20 0 DHADRP COc1ccccc1C[N@H+]([C@H]1CC[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170118289 1024164891 /nfs/dbraw/zinc/16/48/91/1024164891.db2.gz REOUTAZWYFYXGZ-OWYHZJEWSA-N 2 0 316.489 3.956 20 0 DHADRP CC(C)Cc1ncc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663345060 1024175230 /nfs/dbraw/zinc/17/52/30/1024175230.db2.gz GKJVIGORKMOPMD-MRXNPFEDSA-N 2 0 321.534 3.553 20 0 DHADRP CC[C@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663346586 1024178626 /nfs/dbraw/zinc/17/86/26/1024178626.db2.gz WBIZZWXORDSCND-RBUKOAKNSA-N 2 0 300.490 3.892 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347872 1024180704 /nfs/dbraw/zinc/18/07/04/1024180704.db2.gz YQFUDHYKBGVLLV-LJQANCHMSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000268859505 1024181869 /nfs/dbraw/zinc/18/18/69/1024181869.db2.gz FMAJNDJJNNJFHZ-LPHOPBHVSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000248998793 1024185089 /nfs/dbraw/zinc/18/50/89/1024185089.db2.gz PVVNTUYKSUBNLL-IEBWSBKVSA-N 2 0 306.494 3.656 20 0 DHADRP COc1cccc(C[N@H+]([C@H]2CC[C@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001170122008 1024187159 /nfs/dbraw/zinc/18/71/59/1024187159.db2.gz OTTPDLBVDHERCS-WNHJNPCNSA-N 2 0 316.489 3.956 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790052526 1024213818 /nfs/dbraw/zinc/21/38/18/1024213818.db2.gz GMZJJXFAUAVFGY-HKUYNNGSSA-N 2 0 300.490 3.674 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790048267 1024214361 /nfs/dbraw/zinc/21/43/61/1024214361.db2.gz HRZONHXFLDLWGX-IEBWSBKVSA-N 2 0 300.490 3.961 20 0 DHADRP CSC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269012697 1024220455 /nfs/dbraw/zinc/22/04/55/1024220455.db2.gz XWCSBGMHMWLNNC-RDJZCZTQSA-N 2 0 306.519 3.628 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000531676412 1024266304 /nfs/dbraw/zinc/26/63/04/1024266304.db2.gz AZVUNEUQNCNJIE-JFIYKMOQSA-N 2 0 306.519 3.547 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000531677151 1024266778 /nfs/dbraw/zinc/26/67/78/1024266778.db2.gz XLFNSCYIUOMAHA-FXAWDEMLSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000531677153 1024267103 /nfs/dbraw/zinc/26/71/03/1024267103.db2.gz XLFNSCYIUOMAHA-XLIONFOSSA-N 2 0 300.490 3.862 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000068722649 1024270597 /nfs/dbraw/zinc/27/05/97/1024270597.db2.gz DZFMZXQNXASXNF-HXUWFJFHSA-N 2 0 324.468 3.697 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000531710356 1024276530 /nfs/dbraw/zinc/27/65/30/1024276530.db2.gz WVLNLXDQFWCXCH-JKIFEVAISA-N 2 0 308.897 3.936 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000453054418 1024305115 /nfs/dbraw/zinc/30/51/15/1024305115.db2.gz BVQVYDAVPQYXTJ-IBGZPJMESA-N 2 0 317.521 3.895 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)CCCc1cccnc1)C[NH+]1CCCCC1 ZINC000453061233 1024308994 /nfs/dbraw/zinc/30/89/94/1024308994.db2.gz NLRWXGGBBGBAPD-ROUUACIJSA-N 2 0 303.494 3.504 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172439943 1033201895 /nfs/dbraw/zinc/20/18/95/1033201895.db2.gz HFLAAPRFCYKASG-MSOLQXFVSA-N 2 0 308.510 3.600 20 0 DHADRP C[C@H](c1cccnc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000269843341 1024318445 /nfs/dbraw/zinc/31/84/45/1024318445.db2.gz VZCNOCXDBYQEEB-QGZVFWFLSA-N 2 0 301.478 3.731 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000453108174 1024337142 /nfs/dbraw/zinc/33/71/42/1024337142.db2.gz NNXMDWYAQPIYOK-RXVVDRJESA-N 2 0 312.501 3.719 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c2nccn21 ZINC000453166932 1024377214 /nfs/dbraw/zinc/37/72/14/1024377214.db2.gz HSPCATDQPCYCBL-BFWZDYSYSA-N 2 0 316.493 3.522 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453185171 1024387811 /nfs/dbraw/zinc/38/78/11/1024387811.db2.gz XORMKMATZWPXBP-MRXNPFEDSA-N 2 0 323.440 3.786 20 0 DHADRP FC(F)C1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466430 1024402894 /nfs/dbraw/zinc/40/28/94/1024402894.db2.gz SUATUWBGPBKWER-QQFBHYJXSA-N 2 0 300.437 3.522 20 0 DHADRP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000663466826 1024408173 /nfs/dbraw/zinc/40/81/73/1024408173.db2.gz XSORNRHUKZQNLA-UYAOXDASSA-N 2 0 315.505 3.880 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000663466823 1024410128 /nfs/dbraw/zinc/41/01/28/1024410128.db2.gz XSORNRHUKZQNLA-QUCCMNQESA-N 2 0 315.505 3.880 20 0 DHADRP Fc1ccc(F)c2c1CC[C@@H]2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468209 1024417325 /nfs/dbraw/zinc/41/73/25/1024417325.db2.gz KJFHOVOCPDTEOW-KDOFPFPSSA-N 2 0 320.427 3.664 20 0 DHADRP CC[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1F ZINC000663468234 1024419170 /nfs/dbraw/zinc/41/91/70/1024419170.db2.gz KRDLSVZJDLONLS-QFBILLFUSA-N 2 0 304.453 3.988 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883428599 1024433796 /nfs/dbraw/zinc/43/37/96/1024433796.db2.gz YBNIFEPQZIWAPY-FHWLQOOXSA-N 2 0 302.462 3.500 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000453285502 1024438903 /nfs/dbraw/zinc/43/89/03/1024438903.db2.gz JCVZWILPFDOADZ-MZADTFQBSA-N 2 0 321.468 3.675 20 0 DHADRP CC1CC[NH+](C[C@H]2CCCN(c3[nH+]ccc4[nH]ccc43)C2)CC1 ZINC000663482950 1024454281 /nfs/dbraw/zinc/45/42/81/1024454281.db2.gz WPESPPLUQCTNHB-MRXNPFEDSA-N 2 0 312.461 3.511 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)cc1 ZINC000453333648 1024466132 /nfs/dbraw/zinc/46/61/32/1024466132.db2.gz BREAYISBPCORLE-RAFMOHDBSA-N 2 0 300.490 3.777 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001167824213 1024478978 /nfs/dbraw/zinc/47/89/78/1024478978.db2.gz CRNFCLNJXZUMFD-MRXNPFEDSA-N 2 0 322.493 3.646 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@@H]([NH3+])C(C)C)s2)cc1 ZINC000663498065 1024487340 /nfs/dbraw/zinc/48/73/40/1024487340.db2.gz JYTRLKVJKJLMRJ-MRXNPFEDSA-N 2 0 303.475 3.582 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(C)ccc1OC ZINC000453398294 1024496765 /nfs/dbraw/zinc/49/67/65/1024496765.db2.gz KLZWQFZGKOPEQR-SFHVURJKSA-N 2 0 304.478 3.919 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453399827 1024498112 /nfs/dbraw/zinc/49/81/12/1024498112.db2.gz LRLULZBNOIICLV-CDHQVMDDSA-N 2 0 316.489 3.651 20 0 DHADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(F)cn1 ZINC000271430786 1024503376 /nfs/dbraw/zinc/50/33/76/1024503376.db2.gz WHRBHGVPEBMUOQ-INIZCTEOSA-N 2 0 307.457 3.918 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001167827208 1024509189 /nfs/dbraw/zinc/50/91/89/1024509189.db2.gz USCVHESIFGTZLM-LPHOPBHVSA-N 2 0 322.468 3.789 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172463827 1033216182 /nfs/dbraw/zinc/21/61/82/1033216182.db2.gz UOOFHLXVOSMLLK-KRWDZBQOSA-N 2 0 312.542 3.785 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453396392 1024512846 /nfs/dbraw/zinc/51/28/46/1024512846.db2.gz IORZECVHERQLJD-HNNXBMFYSA-N 2 0 306.519 3.804 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000453395882 1024512968 /nfs/dbraw/zinc/51/29/68/1024512968.db2.gz IDAFSJFLNBGDCU-AEFFLSMTSA-N 2 0 301.478 3.572 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]CCCC[N@H+](C)C3CC3)oc21 ZINC000453396993 1024514959 /nfs/dbraw/zinc/51/49/59/1024514959.db2.gz JCGNIWIPNRCJQS-AWEZNQCLSA-N 2 0 316.445 3.966 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCCCC2 ZINC000453420126 1024518329 /nfs/dbraw/zinc/51/83/29/1024518329.db2.gz ZEZSWBNCIVWMOY-ROUUACIJSA-N 2 0 308.510 3.578 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000643522259 1024518563 /nfs/dbraw/zinc/51/85/63/1024518563.db2.gz KOSLKLAYIVTBQV-BQFCYCMXSA-N 2 0 320.452 3.592 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000453602488 1024548999 /nfs/dbraw/zinc/54/89/99/1024548999.db2.gz WAELMGYWGQSDIE-UHFFFAOYSA-N 2 0 316.367 3.549 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cnc(-c2ccccc2)s1)C1CC1 ZINC000453600217 1024549051 /nfs/dbraw/zinc/54/90/51/1024549051.db2.gz RYFXWGBGKBLOMS-UHFFFAOYSA-N 2 0 315.486 3.774 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC001167833727 1024571351 /nfs/dbraw/zinc/57/13/51/1024571351.db2.gz DMAGQWGADNXHLI-INIZCTEOSA-N 2 0 322.493 3.646 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000643457051 1024583990 /nfs/dbraw/zinc/58/39/90/1024583990.db2.gz KCZRBCJSXJYXQM-XUVXKRRUSA-N 2 0 300.490 3.746 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167834151 1024584422 /nfs/dbraw/zinc/58/44/22/1024584422.db2.gz IGUCYEIJMGOXLC-GOSISDBHSA-N 3 0 311.558 3.693 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000532235526 1024586281 /nfs/dbraw/zinc/58/62/81/1024586281.db2.gz UGJCRKAPRCRTJQ-GPMSIDNRSA-N 2 0 302.506 3.845 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)CCO1 ZINC000648428410 1024604668 /nfs/dbraw/zinc/60/46/68/1024604668.db2.gz MWSNUMOAKWIBEB-RBUKOAKNSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663607235 1024618123 /nfs/dbraw/zinc/61/81/23/1024618123.db2.gz GHYJDWYDOBOMBM-JKSUJKDBSA-N 2 0 312.461 3.654 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390898306 1024620521 /nfs/dbraw/zinc/62/05/21/1024620521.db2.gz FOCDBYHWJDGPQI-BPQIPLTHSA-N 2 0 318.530 3.628 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000925802187 1024620537 /nfs/dbraw/zinc/62/05/37/1024620537.db2.gz YTHIREGZLAKLOI-MBNYWOFBSA-N 2 0 300.368 3.602 20 0 DHADRP CSC1CCC(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925803414 1024627441 /nfs/dbraw/zinc/62/74/41/1024627441.db2.gz ZIAFIUOCGOKATM-XAWIXRBMSA-N 2 0 310.551 3.666 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](Cc1ccccc1)CC(C)(C)O ZINC001167839665 1024628441 /nfs/dbraw/zinc/62/84/41/1024628441.db2.gz BAEKNSCZUXQGKA-SFHVURJKSA-N 2 0 320.521 3.770 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCC(=O)CC2)CC1 ZINC001167841673 1024662398 /nfs/dbraw/zinc/66/23/98/1024662398.db2.gz OEEJMNUKFVJKOV-QGZVFWFLSA-N 2 0 308.510 3.722 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666086370 1024681233 /nfs/dbraw/zinc/68/12/33/1024681233.db2.gz GCLSTZGQWNGMJT-GDBMZVCRSA-N 2 0 306.881 3.519 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001170259984 1024715554 /nfs/dbraw/zinc/71/55/54/1024715554.db2.gz FPVSSWIUICVKRO-AWEZNQCLSA-N 2 0 306.881 3.735 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000349421729 1024717225 /nfs/dbraw/zinc/71/72/25/1024717225.db2.gz TXGHBKZDUMYDSL-UHFFFAOYSA-N 2 0 303.425 3.538 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877078451 1033232064 /nfs/dbraw/zinc/23/20/64/1033232064.db2.gz PZXSNXCKVRPEGH-AWEZNQCLSA-N 2 0 307.309 3.528 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001168165878 1024739006 /nfs/dbraw/zinc/73/90/06/1024739006.db2.gz KDMPZJJUZVDNBJ-OAHLLOKOSA-N 2 0 308.897 3.983 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666239420 1024823274 /nfs/dbraw/zinc/82/32/74/1024823274.db2.gz JPUMKSUTWUQASM-GDBMZVCRSA-N 2 0 306.881 3.517 20 0 DHADRP Cc1ncccc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350552798 1024827189 /nfs/dbraw/zinc/82/71/89/1024827189.db2.gz GBZAOUCOGKBRII-RTWAWAEBSA-N 2 0 323.484 3.562 20 0 DHADRP Cc1ccc(SC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000893654698 1024831524 /nfs/dbraw/zinc/83/15/24/1024831524.db2.gz HAITWJGOXXMEDM-MGNMYUMUSA-N 2 0 304.503 3.690 20 0 DHADRP C[N@H+](CCC1CCOCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001202683795 1024856595 /nfs/dbraw/zinc/85/65/95/1024856595.db2.gz LZUSIAVWFFTNQC-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663736820 1024950033 /nfs/dbraw/zinc/95/00/33/1024950033.db2.gz RJKJLLJIUCQOJH-AWEZNQCLSA-N 2 0 321.428 3.595 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000120969050 1025068176 /nfs/dbraw/zinc/06/81/76/1025068176.db2.gz CUALYWVWWMIZAK-CQSZACIVSA-N 2 0 318.440 3.516 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCC1 ZINC000666454366 1025092094 /nfs/dbraw/zinc/09/20/94/1025092094.db2.gz XXTQIHUVVYYCPT-QGZVFWFLSA-N 2 0 316.489 3.720 20 0 DHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(C)c1 ZINC000353631339 1025165412 /nfs/dbraw/zinc/16/54/12/1025165412.db2.gz PMSOQGSURKDPSK-KRWDZBQOSA-N 2 0 306.519 3.863 20 0 DHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168192981 1025165693 /nfs/dbraw/zinc/16/56/93/1025165693.db2.gz OUPYFGGAZPMNMR-DJIMGWMZSA-N 2 0 306.881 3.545 20 0 DHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001168192984 1025167736 /nfs/dbraw/zinc/16/77/36/1025167736.db2.gz OUPYFGGAZPMNMR-OIISXLGYSA-N 2 0 306.881 3.545 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2csc(Cl)c2)CC[NH+](C)CC1 ZINC000353661713 1025182725 /nfs/dbraw/zinc/18/27/25/1025182725.db2.gz QDSUHZCCEAFEOH-LLVKDONJSA-N 2 0 318.939 3.880 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924682754 1033266858 /nfs/dbraw/zinc/26/68/58/1033266858.db2.gz DKSXCMIIZNFWEL-HNJRGHQBSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000151548836 1025286134 /nfs/dbraw/zinc/28/61/34/1025286134.db2.gz WZDIQECKJDHYQV-LLVKDONJSA-N 2 0 301.261 3.813 20 0 DHADRP Cc1ccc(CCC[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000353933045 1025298382 /nfs/dbraw/zinc/29/83/82/1025298382.db2.gz UPBSTPLKIGMDKZ-ROUUACIJSA-N 2 0 317.521 3.670 20 0 DHADRP CCCC[C@@H](CC)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000438095985 1025370887 /nfs/dbraw/zinc/37/08/87/1025370887.db2.gz IHZQLCJDCNUQHB-WOJBJXKFSA-N 2 0 323.569 3.695 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1F ZINC000123621174 1025390970 /nfs/dbraw/zinc/39/09/70/1025390970.db2.gz TZYPFGCSKSCCSB-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP C[C@H](C[NH2+]C(C)(C)CN(C)Cc1ccccc1)C(F)(F)F ZINC000539117915 1033280716 /nfs/dbraw/zinc/28/07/16/1033280716.db2.gz VVNZCTCDQMSRRM-CYBMUJFWSA-N 2 0 302.384 3.685 20 0 DHADRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000123779179 1025397310 /nfs/dbraw/zinc/39/73/10/1025397310.db2.gz GNOLQLXJMMRUMT-OAHLLOKOSA-N 2 0 303.837 3.528 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000885969618 1025423636 /nfs/dbraw/zinc/42/36/36/1025423636.db2.gz YEUJNDXQHNDZKN-OALUTQOASA-N 2 0 310.526 3.970 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885969537 1025423845 /nfs/dbraw/zinc/42/38/45/1025423845.db2.gz VRCVJSFTQBZZRC-QZTJIDSGSA-N 2 0 308.510 3.578 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](OC)CC2)c1 ZINC000885969635 1025424419 /nfs/dbraw/zinc/42/44/19/1025424419.db2.gz YMZHXPSYCUHWEO-RBUKOAKNSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(C)(C)C ZINC000885990638 1025429278 /nfs/dbraw/zinc/42/92/78/1025429278.db2.gz MHXYIYRCVUVJMM-IAGOWNOFSA-N 2 0 310.526 3.824 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000925883016 1025435262 /nfs/dbraw/zinc/43/52/62/1025435262.db2.gz RELZMIXKLCXRGT-XZJROXQQSA-N 2 0 323.278 3.617 20 0 DHADRP Fc1cccc(/C=C/C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000886009996 1025436220 /nfs/dbraw/zinc/43/62/20/1025436220.db2.gz BTZFCEHYJICYCK-GQCTYLIASA-N 2 0 302.437 3.836 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000124743101 1025442391 /nfs/dbraw/zinc/44/23/91/1025442391.db2.gz JPIHCVSNPOVVKP-PKOBYXMFSA-N 2 0 302.462 3.707 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000125857130 1025493771 /nfs/dbraw/zinc/49/37/71/1025493771.db2.gz OGUKPAWWAZXWEF-HUUCEWRRSA-N 2 0 321.534 3.793 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C)OCc2ccccc2)C[C@H]1C ZINC000354865675 1025526117 /nfs/dbraw/zinc/52/61/17/1025526117.db2.gz VSQRFPXIRGCUGQ-HBFSDRIKSA-N 2 0 318.505 3.786 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C)OCc2ccccc2)C[C@H]1C ZINC000354865672 1025526760 /nfs/dbraw/zinc/52/67/60/1025526760.db2.gz VSQRFPXIRGCUGQ-GGPKGHCWSA-N 2 0 318.505 3.786 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@H]2CCSc3ccccc32)CCCC1 ZINC000355072395 1025598898 /nfs/dbraw/zinc/59/88/98/1025598898.db2.gz XKWPAIWRNUTXFQ-INIZCTEOSA-N 2 0 304.503 3.935 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886524559 1025678718 /nfs/dbraw/zinc/67/87/18/1025678718.db2.gz MJXMOFNGNAAVCQ-UGSOOPFHSA-N 2 0 315.436 3.616 20 0 DHADRP C[NH+]1CCC(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)CC1 ZINC000894082038 1025685827 /nfs/dbraw/zinc/68/58/27/1025685827.db2.gz OIHZOMZQJXDOLC-UHFFFAOYSA-N 2 0 304.400 3.573 20 0 DHADRP C[C@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO[C@H]1C1CC1 ZINC000886592397 1025727185 /nfs/dbraw/zinc/72/71/85/1025727185.db2.gz RUPFICJEZPOUBI-FUFFSDJGSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000886606893 1025733301 /nfs/dbraw/zinc/73/33/01/1025733301.db2.gz ICYRJNUCVCJPFP-HMGYUTEMSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)(C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccn1 ZINC000886615569 1025741119 /nfs/dbraw/zinc/74/11/19/1025741119.db2.gz JEIVMYZGSVMPBB-UHFFFAOYSA-N 2 0 315.505 3.746 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccns1 ZINC000924865361 1025782798 /nfs/dbraw/zinc/78/27/98/1025782798.db2.gz GLLFHPGSJYIFGF-ZDUSSCGKSA-N 2 0 321.515 3.767 20 0 DHADRP CCSCC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000355734568 1025824025 /nfs/dbraw/zinc/82/40/25/1025824025.db2.gz NAIZPSJIVWHOHG-INIZCTEOSA-N 2 0 306.519 3.761 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(C)C)c2)[C@H](C)C1 ZINC000152509964 1025835056 /nfs/dbraw/zinc/83/50/56/1025835056.db2.gz GDGJESYJZKBSDT-VQIMIIECSA-N 2 0 304.478 3.541 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1F ZINC000262336915 1025835920 /nfs/dbraw/zinc/83/59/20/1025835920.db2.gz TUNVVJYKTCGJEA-IJEWVQPXSA-N 2 0 308.441 3.796 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C[C@H](C)O1 ZINC000648400816 1025871170 /nfs/dbraw/zinc/87/11/70/1025871170.db2.gz AXCUSPCKZFTGJZ-PIIMJCKOSA-N 2 0 308.510 3.721 20 0 DHADRP Cc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000462522987 1025943428 /nfs/dbraw/zinc/94/34/28/1025943428.db2.gz GPWOXIQGGAQZEW-ICSRJNTNSA-N 2 0 323.484 3.780 20 0 DHADRP CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000177371898 1025945455 /nfs/dbraw/zinc/94/54/55/1025945455.db2.gz XUTJURZXYDDZFJ-LJQANCHMSA-N 2 0 313.445 3.509 20 0 DHADRP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293218402 1025966821 /nfs/dbraw/zinc/96/68/21/1025966821.db2.gz AIZGAVPEAOZYSY-PBHICJAKSA-N 2 0 308.416 3.532 20 0 DHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cncs1 ZINC000283047774 1025999496 /nfs/dbraw/zinc/99/94/96/1025999496.db2.gz RXCGEMVJDOZRGT-KRWDZBQOSA-N 2 0 315.486 3.533 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215766 1026039226 /nfs/dbraw/zinc/03/92/26/1026039226.db2.gz MZYVWLLRXMNKDI-HNNXBMFYSA-N 2 0 321.534 3.808 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)c(OC)c2)[C@@H](C)C1 ZINC000245444614 1026047659 /nfs/dbraw/zinc/04/76/59/1026047659.db2.gz YDXMOHNWPBCUSX-HOCLYGCPSA-N 2 0 322.518 3.579 20 0 DHADRP c1cncc(-c2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000093597429 1026120055 /nfs/dbraw/zinc/12/00/55/1026120055.db2.gz OIOQATOQDVWCBJ-LJQANCHMSA-N 2 0 321.468 3.666 20 0 DHADRP CCCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245674598 1026120587 /nfs/dbraw/zinc/12/05/87/1026120587.db2.gz HTPVCWSLNYIRRC-ACDBMABISA-N 2 0 316.489 3.588 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261747623 1026246675 /nfs/dbraw/zinc/24/66/75/1026246675.db2.gz BYNOWFUWOMPNJM-JSGCOSHPSA-N 2 0 300.368 3.573 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCc1cncn1C ZINC000289974127 1026258902 /nfs/dbraw/zinc/25/89/02/1026258902.db2.gz JHFFLOLRZGUSFS-ZDUSSCGKSA-N 2 0 306.479 3.544 20 0 DHADRP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647796716 1026319825 /nfs/dbraw/zinc/31/98/25/1026319825.db2.gz KZAVLJQJJODAPZ-PGZVSCLCSA-N 2 0 304.865 3.564 20 0 DHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647796992 1026322216 /nfs/dbraw/zinc/32/22/16/1026322216.db2.gz TYUGPWDLWCNJAL-DTJSUFBGSA-N 2 0 304.865 3.564 20 0 DHADRP CCCCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C(C)(C)C ZINC000808676280 1026353693 /nfs/dbraw/zinc/35/36/93/1026353693.db2.gz JXRMURDXAGKWGM-QZTJIDSGSA-N 2 0 311.558 3.597 20 0 DHADRP Clc1ccc2[nH]cc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)c2c1 ZINC001204734991 1026458062 /nfs/dbraw/zinc/45/80/62/1026458062.db2.gz IPLYIJPQVHXPBU-UHFFFAOYSA-N 2 0 317.864 3.787 20 0 DHADRP C[C@H]1C[C@H](CC[NH2+]Cc2cncs2)C[N@@H+]1Cc1ccccc1 ZINC000513544700 1026538464 /nfs/dbraw/zinc/53/84/64/1026538464.db2.gz LOBSKGSOCQEWQY-RDJZCZTQSA-N 2 0 315.486 3.533 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(Cl)nc1 ZINC000809739256 1026611019 /nfs/dbraw/zinc/61/10/19/1026611019.db2.gz DDNLZQHENXIHJZ-UHFFFAOYSA-N 2 0 317.864 3.819 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(c1)COC2 ZINC000809739244 1026611426 /nfs/dbraw/zinc/61/14/26/1026611426.db2.gz CDNQMBUSDGCDDQ-UHFFFAOYSA-N 2 0 324.468 3.801 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000513702905 1026706590 /nfs/dbraw/zinc/70/65/90/1026706590.db2.gz OKCUFQMJEKASAK-FGTMMUONSA-N 2 0 306.881 3.735 20 0 DHADRP CCCCCC[C@@H](CC)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001170602466 1026732801 /nfs/dbraw/zinc/73/28/01/1026732801.db2.gz BWYFDFHMLMEHRT-HXUWFJFHSA-N 2 0 323.569 3.695 20 0 DHADRP FC1(F)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000664240935 1026765059 /nfs/dbraw/zinc/76/50/59/1026765059.db2.gz IBSRXJXCRWHVGR-UHFFFAOYSA-N 2 0 308.416 3.904 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000420297385 1026797179 /nfs/dbraw/zinc/79/71/79/1026797179.db2.gz DBYXRTYUOMKVEX-SJLPKXTDSA-N 2 0 316.470 3.636 20 0 DHADRP Brc1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420298312 1026797735 /nfs/dbraw/zinc/79/77/35/1026797735.db2.gz DXRQVHCCBCXDBH-BBRMVZONSA-N 2 0 323.278 3.586 20 0 DHADRP Fc1cccc(F)c1C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420310501 1026800722 /nfs/dbraw/zinc/80/07/22/1026800722.db2.gz VCLHBEMDVKQTHU-AWEZNQCLSA-N 2 0 308.416 3.709 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000420326272 1026805503 /nfs/dbraw/zinc/80/55/03/1026805503.db2.gz XCBREOVPSHPQDZ-FPOVZHCZSA-N 2 0 324.468 3.883 20 0 DHADRP Cc1occc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000414452437 1026805593 /nfs/dbraw/zinc/80/55/93/1026805593.db2.gz LCXARALNBFQQIN-UXHICEINSA-N 2 0 310.441 3.542 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1 ZINC000420328375 1026807178 /nfs/dbraw/zinc/80/71/78/1026807178.db2.gz ZGPBULHGURVEDE-NQIIRXRSSA-N 2 0 324.468 3.883 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)CCC2 ZINC000420330999 1026807570 /nfs/dbraw/zinc/80/75/70/1026807570.db2.gz QLOATJJEXFHDNQ-JTDSTZFVSA-N 2 0 302.437 3.525 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000420326269 1026807717 /nfs/dbraw/zinc/80/77/17/1026807717.db2.gz XCBREOVPSHPQDZ-CTNGQTDRSA-N 2 0 324.468 3.883 20 0 DHADRP C[C@H](c1ccccc1Cl)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420382470 1026810859 /nfs/dbraw/zinc/81/08/59/1026810859.db2.gz PUNWHQVEXRWUIL-FSPWUOQZSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420904008 1026875553 /nfs/dbraw/zinc/87/55/53/1026875553.db2.gz OYXGJTQHJYFQJL-GOSISDBHSA-N 2 0 324.468 3.712 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000421377668 1026970751 /nfs/dbraw/zinc/97/07/51/1026970751.db2.gz HRHATPMTIUERFR-NXWXRZEISA-N 2 0 308.510 3.577 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000421392167 1026978462 /nfs/dbraw/zinc/97/84/62/1026978462.db2.gz QFVWLXJDQLSVAP-QGZVFWFLSA-N 2 0 310.445 3.588 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000421855859 1027068103 /nfs/dbraw/zinc/06/81/03/1027068103.db2.gz NDLHFKQZSVVOPV-GVZPALNKSA-N 2 0 310.844 3.625 20 0 DHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000421865523 1027071103 /nfs/dbraw/zinc/07/11/03/1027071103.db2.gz ZMLSRGOOWIAJRO-ZIAGYGMSSA-N 2 0 310.869 3.731 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CC1 ZINC000421887485 1027079314 /nfs/dbraw/zinc/07/93/14/1027079314.db2.gz VXSXQRJFISDZMU-SOAGJPPSSA-N 2 0 300.490 3.779 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000571246362 1027111107 /nfs/dbraw/zinc/11/11/07/1027111107.db2.gz MXPHBVCSVMTUBL-QWHCGFSZSA-N 2 0 302.384 3.739 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000271717430 1027128563 /nfs/dbraw/zinc/12/85/63/1027128563.db2.gz NLRCLIYGAFFABJ-AWEZNQCLSA-N 2 0 306.881 3.878 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000571762765 1027145436 /nfs/dbraw/zinc/14/54/36/1027145436.db2.gz LHIOAEVCSVRFRF-RBUKOAKNSA-N 2 0 309.457 3.665 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000572186907 1027180134 /nfs/dbraw/zinc/18/01/34/1027180134.db2.gz UTUDQPZTMLBLTB-IBGZPJMESA-N 2 0 304.478 3.714 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000572201070 1027182596 /nfs/dbraw/zinc/18/25/96/1027182596.db2.gz SSIFXKMUXZGNMJ-RDJZCZTQSA-N 2 0 322.468 3.778 20 0 DHADRP C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271986127 1027195163 /nfs/dbraw/zinc/19/51/63/1027195163.db2.gz KQLAXAAGIJYXFZ-QGZVFWFLSA-N 2 0 324.468 3.967 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000562055605 1027202860 /nfs/dbraw/zinc/20/28/60/1027202860.db2.gz GLHDMSNCOYHDEW-MIALQEHNSA-N 2 0 318.505 3.896 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170667957 1027211269 /nfs/dbraw/zinc/21/12/69/1027211269.db2.gz DGCOXHNPYQFNBI-QGZVFWFLSA-N 2 0 322.443 3.532 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccccc2Cl)CC[NH+](C)CC1 ZINC000562102961 1027235529 /nfs/dbraw/zinc/23/55/29/1027235529.db2.gz JPHQZOXOYXTCGN-CYBMUJFWSA-N 2 0 312.910 3.818 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000572989791 1027251947 /nfs/dbraw/zinc/25/19/47/1027251947.db2.gz MUBAIXJNIZOVSN-QMTHXVAHSA-N 2 0 321.877 3.902 20 0 DHADRP C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCC1 ZINC000573139978 1027266049 /nfs/dbraw/zinc/26/60/49/1027266049.db2.gz VEADFQUVHZQYQH-MJJDPTRDSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC1Cc2ccccc2C1 ZINC000573145471 1027267163 /nfs/dbraw/zinc/26/71/63/1027267163.db2.gz FZFAAYAFHDUCJM-QGZVFWFLSA-N 2 0 300.490 3.646 20 0 DHADRP C[C@@H](C[NH+]1CCC2(CC[NH2+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000422562475 1027287092 /nfs/dbraw/zinc/28/70/92/1027287092.db2.gz QHNNUPSFHAPSRN-ZDUSSCGKSA-N 2 0 312.379 3.637 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422712597 1027300161 /nfs/dbraw/zinc/30/01/61/1027300161.db2.gz GYQMLZXQQWNLQQ-IPJUCJBFSA-N 2 0 318.505 3.902 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422733930 1027301434 /nfs/dbraw/zinc/30/14/34/1027301434.db2.gz SAOAJTFNQJRTQH-QGZVFWFLSA-N 3 0 317.521 3.668 20 0 DHADRP C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422762013 1027307118 /nfs/dbraw/zinc/30/71/18/1027307118.db2.gz NIRYZAMFDVHYLR-CEXWTWQISA-N 2 0 308.510 3.626 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000422743005 1027309113 /nfs/dbraw/zinc/30/91/13/1027309113.db2.gz SSCODFHTILUPKR-QUCCMNQESA-N 2 0 317.521 3.567 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422771816 1027313030 /nfs/dbraw/zinc/31/30/30/1027313030.db2.gz RNNFIVCEYAPUKG-KURKYZTESA-N 2 0 304.503 3.597 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422754894 1027313274 /nfs/dbraw/zinc/31/32/74/1027313274.db2.gz BBOARGYTGIPBDA-LPHOPBHVSA-N 2 0 314.498 3.635 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000573622196 1027314223 /nfs/dbraw/zinc/31/42/23/1027314223.db2.gz AQBUTGKTTVXBLP-KRWDZBQOSA-N 2 0 320.502 3.554 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000422772668 1027314926 /nfs/dbraw/zinc/31/49/26/1027314926.db2.gz XLQNKSRDJYHYBA-DJPFJPOOSA-N 2 0 323.484 3.911 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422775851 1027316686 /nfs/dbraw/zinc/31/66/86/1027316686.db2.gz BMPHTXRIZMEYOP-HUYLIWGRSA-N 2 0 316.489 3.699 20 0 DHADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422784113 1027316986 /nfs/dbraw/zinc/31/69/86/1027316986.db2.gz IBMPHMLPCYKZNN-YDZRNGNQSA-N 2 0 316.489 3.663 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422778900 1027318988 /nfs/dbraw/zinc/31/89/88/1027318988.db2.gz BCTSOTUIZKENEZ-GPMSIDNRSA-N 2 0 314.498 3.715 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422775853 1027320638 /nfs/dbraw/zinc/32/06/38/1027320638.db2.gz BMPHTXRIZMEYOP-XLNTUCKNSA-N 2 0 316.489 3.699 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798934235 1027321832 /nfs/dbraw/zinc/32/18/32/1027321832.db2.gz CLJCPFDTUDYVGY-WOJBJXKFSA-N 2 0 318.505 3.693 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422797933 1027323119 /nfs/dbraw/zinc/32/31/19/1027323119.db2.gz PDBOPTBQAMNHJZ-SKSLQVBQSA-N 2 0 322.443 3.969 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1CCCCC1 ZINC000422800766 1027326249 /nfs/dbraw/zinc/32/62/49/1027326249.db2.gz AFPVSMKENAUCLZ-UYAOXDASSA-N 2 0 314.473 3.802 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422806359 1027329221 /nfs/dbraw/zinc/32/92/21/1027329221.db2.gz KMMIXODREDRKFB-OWCLPIDISA-N 2 0 308.466 3.558 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000422829861 1027333960 /nfs/dbraw/zinc/33/39/60/1027333960.db2.gz VBXOKOQEALZMKU-PBHICJAKSA-N 2 0 316.470 3.641 20 0 DHADRP Cc1ccc(SC2(C[NH2+][C@@H](C)C3C[NH2+]C3)CCCC2)cc1 ZINC000422832831 1027333984 /nfs/dbraw/zinc/33/39/84/1027333984.db2.gz GEPRPQYUVYNJMH-HNNXBMFYSA-N 2 0 304.503 3.597 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)c2ccccc21 ZINC000422830813 1027334490 /nfs/dbraw/zinc/33/44/90/1027334490.db2.gz DBXPBEURHJIAOZ-PKOBYXMFSA-N 2 0 309.388 3.584 20 0 DHADRP Cc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C2CC2)cc1 ZINC000422816176 1027337794 /nfs/dbraw/zinc/33/77/94/1027337794.db2.gz ZHOIFUUQLUEAIS-MGPUTAFESA-N 2 0 309.457 3.959 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C2CC2)cc1 ZINC000422816178 1027338172 /nfs/dbraw/zinc/33/81/72/1027338172.db2.gz ZHOIFUUQLUEAIS-YWZLYKJASA-N 2 0 309.457 3.959 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000422835420 1027338628 /nfs/dbraw/zinc/33/86/28/1027338628.db2.gz IVFAOEGURPMWET-KBPBESRZSA-N 2 0 301.261 3.740 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000422861926 1027342392 /nfs/dbraw/zinc/34/23/92/1027342392.db2.gz PCIXPEODCQFEDS-DZGCQCFKSA-N 2 0 315.486 3.905 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422860046 1027342655 /nfs/dbraw/zinc/34/26/55/1027342655.db2.gz KYQMARNPXYZONW-AWEZNQCLSA-N 2 0 317.408 3.620 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C3CCC(C[NH3+])CC3)c(C)c2c1 ZINC000422861586 1027342926 /nfs/dbraw/zinc/34/29/26/1027342926.db2.gz OMUAYBZMXORFAT-NFOMZHRRSA-N 2 0 316.445 3.918 20 0 DHADRP CCOCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000573956373 1027346752 /nfs/dbraw/zinc/34/67/52/1027346752.db2.gz YHFCVASIQICEBV-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422879872 1027347422 /nfs/dbraw/zinc/34/74/22/1027347422.db2.gz MYTBSLPHEOIMTJ-HZPDHXFCSA-N 2 0 306.494 3.714 20 0 DHADRP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000422890222 1027351242 /nfs/dbraw/zinc/35/12/42/1027351242.db2.gz ROGCMNVVONCLSZ-HOTGVXAUSA-N 2 0 311.473 3.747 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422873465 1027354352 /nfs/dbraw/zinc/35/43/52/1027354352.db2.gz ALJCAQSYPIBLHK-QZTJIDSGSA-N 3 0 317.521 3.526 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422908708 1027357122 /nfs/dbraw/zinc/35/71/22/1027357122.db2.gz ZAUXHABKHDAOPU-CQSZACIVSA-N 2 0 317.408 3.620 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422906424 1027359891 /nfs/dbraw/zinc/35/98/91/1027359891.db2.gz VDOGYAWXPRDQRA-OLZOCXBDSA-N 2 0 318.383 3.796 20 0 DHADRP CCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422924394 1027362985 /nfs/dbraw/zinc/36/29/85/1027362985.db2.gz AYLFTEGHISXEKT-PXNSSMCTSA-N 2 0 314.473 3.802 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000422896253 1027363263 /nfs/dbraw/zinc/36/32/63/1027363263.db2.gz HXFNDKWMOVBVFW-SJORKVTESA-N 2 0 310.457 3.647 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422927777 1027366876 /nfs/dbraw/zinc/36/68/76/1027366876.db2.gz HBYXTJJGVQSHFZ-MRXNPFEDSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000422940469 1027369401 /nfs/dbraw/zinc/36/94/01/1027369401.db2.gz SULGPWXKYVHKEL-DAYGRLMNSA-N 2 0 316.420 3.661 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422939506 1027370611 /nfs/dbraw/zinc/37/06/11/1027370611.db2.gz FXBFPSBEKQWSEX-OWCLPIDISA-N 2 0 322.518 3.531 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cnoc2C2CC2)C1 ZINC000362752282 1027371214 /nfs/dbraw/zinc/37/12/14/1027371214.db2.gz FNHRMLCUTLZQSK-HOTGVXAUSA-N 2 0 317.477 3.638 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422922061 1027373491 /nfs/dbraw/zinc/37/34/91/1027373491.db2.gz RSDSFIZBVIEUDQ-LBPRGKRZSA-N 2 0 300.849 3.864 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H](C)CCC[NH3+])c2ccc(F)cc2)cc1 ZINC000422945665 1027374899 /nfs/dbraw/zinc/37/48/99/1027374899.db2.gz NPLMMVADRCIRQJ-KUHUBIRLSA-N 2 0 316.420 3.641 20 0 DHADRP Clc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422944275 1027376257 /nfs/dbraw/zinc/37/62/57/1027376257.db2.gz LGJGBALVMGTBRK-KZNAEPCWSA-N 2 0 306.881 3.783 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1Cl ZINC000422955459 1027379981 /nfs/dbraw/zinc/37/99/81/1027379981.db2.gz LYOKNBOEYZTYCQ-FZKQIMNGSA-N 2 0 320.839 3.570 20 0 DHADRP CCCCC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422951516 1027380780 /nfs/dbraw/zinc/38/07/80/1027380780.db2.gz YVZNTTFJETUOGW-GNWGEKMJSA-N 2 0 322.537 3.730 20 0 DHADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H](C)C3C[NH2+]C3)cc2)c1 ZINC000422954938 1027381050 /nfs/dbraw/zinc/38/10/50/1027381050.db2.gz IPJOTAHHYBCRLA-IAGOWNOFSA-N 2 0 324.468 3.833 20 0 DHADRP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)nc1 ZINC000422994961 1027382635 /nfs/dbraw/zinc/38/26/35/1027382635.db2.gz JAGLXBYZMBHJNB-HMXCVIKNSA-N 2 0 321.468 3.759 20 0 DHADRP CCOc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423001144 1027385555 /nfs/dbraw/zinc/38/55/55/1027385555.db2.gz WSMPZYQWLGSQLJ-XUVXKRRUSA-N 2 0 316.489 3.528 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)Nc1ccccc1 ZINC000422981577 1027386228 /nfs/dbraw/zinc/38/62/28/1027386228.db2.gz SYYBBNXDOMNECA-UFYCRDLUSA-N 2 0 309.457 3.858 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000423000028 1027387971 /nfs/dbraw/zinc/38/79/71/1027387971.db2.gz UKDDTLAGRIYUIN-XUVXKRRUSA-N 2 0 312.501 3.910 20 0 DHADRP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423007876 1027389278 /nfs/dbraw/zinc/38/92/78/1027389278.db2.gz YWLWRDWASSVVMN-YESZJQIVSA-N 2 0 306.519 3.762 20 0 DHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C2CCCCC2)CCCCC1 ZINC000423023337 1027393966 /nfs/dbraw/zinc/39/39/66/1027393966.db2.gz JPAPORCNLXKINI-QXAKKESOSA-N 2 0 322.537 3.859 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000423029269 1027397410 /nfs/dbraw/zinc/39/74/10/1027397410.db2.gz HXPVOBKQQZSBPE-CZUORRHYSA-N 2 0 316.848 3.520 20 0 DHADRP [NH3+]CC1CCC([NH2+]C2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000423038355 1027398923 /nfs/dbraw/zinc/39/89/23/1027398923.db2.gz YLMZTNOBQSJQAA-UHFFFAOYSA-N 2 0 304.453 3.959 20 0 DHADRP Fc1ccccc1NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423039014 1027399570 /nfs/dbraw/zinc/39/95/70/1027399570.db2.gz ZSRJNPVILSPEIU-KBAYOESNSA-N 2 0 319.468 3.528 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(Br)s1 ZINC000423055553 1027403437 /nfs/dbraw/zinc/40/34/37/1027403437.db2.gz DFHYAAXWDCGUSF-KPPDAEKUSA-N 2 0 317.296 3.679 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(F)cc(Br)c1 ZINC000423063593 1027403608 /nfs/dbraw/zinc/40/36/08/1027403608.db2.gz PIBYLWPEQHSVJG-HZMBPMFUSA-N 2 0 317.246 3.756 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423072861 1027408127 /nfs/dbraw/zinc/40/81/27/1027408127.db2.gz QEMQYCXIYNQHFJ-VXGBXAGGSA-N 2 0 302.384 3.698 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000423079244 1027411607 /nfs/dbraw/zinc/41/16/07/1027411607.db2.gz XVCVQDRUOUEDHI-IMFGXOCKSA-N 2 0 312.457 3.555 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079536 1027411721 /nfs/dbraw/zinc/41/17/21/1027411721.db2.gz QVBZXKPZJPNWLZ-ZJUUUORDSA-N 2 0 314.260 3.733 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c2ccccc21 ZINC000423093797 1027413949 /nfs/dbraw/zinc/41/39/49/1027413949.db2.gz IMCRUZBQVSQJPD-RMBDZISWSA-N 2 0 314.379 3.945 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423094739 1027415336 /nfs/dbraw/zinc/41/53/36/1027415336.db2.gz KQWUFLWEFKWGKT-FGGLRARJSA-N 2 0 316.464 3.972 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423075732 1027417067 /nfs/dbraw/zinc/41/70/67/1027417067.db2.gz XRVPDBHGRBIYMV-SLFFLAALSA-N 2 0 316.489 3.794 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423100316 1027417337 /nfs/dbraw/zinc/41/73/37/1027417337.db2.gz MOCHNDYIXCHAHO-QGZBPCDMSA-N 2 0 308.469 3.655 20 0 DHADRP COCCC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423100372 1027417695 /nfs/dbraw/zinc/41/76/95/1027417695.db2.gz GUJGYMNSCAXMEC-NUJGCVRESA-N 2 0 324.896 3.567 20 0 DHADRP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423144971 1027427124 /nfs/dbraw/zinc/42/71/24/1027427124.db2.gz INKWRHGNSQOPDV-OQIJWPOYSA-N 2 0 302.437 3.713 20 0 DHADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423144996 1027428040 /nfs/dbraw/zinc/42/80/40/1027428040.db2.gz IPFYFMVTIRNYQU-WQANXHIZSA-N 2 0 320.427 3.853 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000423113885 1027428874 /nfs/dbraw/zinc/42/88/74/1027428874.db2.gz UVWXOANRGJKPQS-ABAIWWIYSA-N 2 0 319.276 3.524 20 0 DHADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCC1 ZINC000423153908 1027430576 /nfs/dbraw/zinc/43/05/76/1027430576.db2.gz OBIMYIDJPKKVCE-PXNSSMCTSA-N 2 0 314.473 3.658 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)C2)c1 ZINC000423153228 1027432126 /nfs/dbraw/zinc/43/21/26/1027432126.db2.gz GZJVRADNTWQWOM-SLUIBLPYSA-N 2 0 308.425 3.676 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc2ccccc2s1 ZINC000423136505 1027435168 /nfs/dbraw/zinc/43/51/68/1027435168.db2.gz PHCPQLCZHWRYMK-BEFAXECRSA-N 2 0 324.493 3.992 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423138767 1027435606 /nfs/dbraw/zinc/43/56/06/1027435606.db2.gz TZXKLKUMYGMHDD-GKCIPKSASA-N 2 0 309.457 3.693 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423164630 1027437881 /nfs/dbraw/zinc/43/78/81/1027437881.db2.gz XGZIMLBYIBROBU-AGLBCWCQSA-N 2 0 311.267 3.569 20 0 DHADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423179520 1027440580 /nfs/dbraw/zinc/44/05/80/1027440580.db2.gz HIDGIUHZRNTFSZ-QGZVFWFLSA-N 2 0 324.468 3.977 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000574961542 1027443710 /nfs/dbraw/zinc/44/37/10/1027443710.db2.gz KHVDWRNQTKCBPQ-QPIRBTGLSA-N 2 0 300.490 3.892 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423207366 1027446038 /nfs/dbraw/zinc/44/60/38/1027446038.db2.gz GWQPSLSIWHCCSW-GHTZIAJQSA-N 2 0 324.468 3.568 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207368 1027446732 /nfs/dbraw/zinc/44/67/32/1027446732.db2.gz GWQPSLSIWHCCSW-NQIIRXRSSA-N 2 0 324.468 3.568 20 0 DHADRP CC[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CC(F)(F)F ZINC000423189467 1027450416 /nfs/dbraw/zinc/45/04/16/1027450416.db2.gz REMQOXAYSDRBTP-KCQAQPDRSA-N 2 0 302.384 3.513 20 0 DHADRP C[NH2+]CCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423201875 1027456220 /nfs/dbraw/zinc/45/62/20/1027456220.db2.gz QBJHCVFPJLFTKG-UHFFFAOYSA-N 2 0 314.395 3.931 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423214331 1027458756 /nfs/dbraw/zinc/45/87/56/1027458756.db2.gz OQFFBVJTOORMST-KGLIPLIRSA-N 2 0 310.869 3.777 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000423214242 1027459248 /nfs/dbraw/zinc/45/92/48/1027459248.db2.gz OMSROTPIAOPHJQ-WBVHZDCISA-N 2 0 320.477 3.524 20 0 DHADRP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423217134 1027459807 /nfs/dbraw/zinc/45/98/07/1027459807.db2.gz SZANBRQKYKGOOY-NQIIRXRSSA-N 2 0 324.468 3.568 20 0 DHADRP Fc1ccc(C([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423243891 1027471287 /nfs/dbraw/zinc/47/12/87/1027471287.db2.gz GTKXFLLLAPSYFJ-CQSZACIVSA-N 2 0 316.395 3.643 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423244131 1027472255 /nfs/dbraw/zinc/47/22/55/1027472255.db2.gz HGVMMIAWLNDDCZ-CRAIPNDOSA-N 2 0 302.462 3.613 20 0 DHADRP C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(SCC(F)(F)F)cc1 ZINC000423246620 1027473239 /nfs/dbraw/zinc/47/32/39/1027473239.db2.gz ZNLYNIYCONBNHT-WCQYABFASA-N 2 0 318.408 3.744 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423254989 1027478960 /nfs/dbraw/zinc/47/89/60/1027478960.db2.gz AHCYMXHRXQTVQH-UONOGXRCSA-N 2 0 310.869 3.779 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423288686 1027482572 /nfs/dbraw/zinc/48/25/72/1027482572.db2.gz UJRNMHNARWQPBO-ZIAGYGMSSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423287143 1027482876 /nfs/dbraw/zinc/48/28/76/1027482876.db2.gz KMWSCBHLDCJLFM-OCCSQVGLSA-N 2 0 300.368 3.668 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423284642 1027483051 /nfs/dbraw/zinc/48/30/51/1027483051.db2.gz YPGKFAOPCUTZPO-WDEREUQCSA-N 2 0 309.504 3.686 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000423292009 1027486051 /nfs/dbraw/zinc/48/60/51/1027486051.db2.gz KXZLGDRHVIBVJU-SCLBCKFNSA-N 2 0 314.404 3.849 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423290831 1027486409 /nfs/dbraw/zinc/48/64/09/1027486409.db2.gz FPTNREMQGUBERI-OAGGEKHMSA-N 2 0 312.457 3.997 20 0 DHADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423267939 1027489196 /nfs/dbraw/zinc/48/91/96/1027489196.db2.gz UFVIDIPQSCLAGO-QGZVFWFLSA-N 2 0 311.558 3.629 20 0 DHADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423278278 1027493121 /nfs/dbraw/zinc/49/31/21/1027493121.db2.gz QMGITKXNFXJKCF-DOMZBBRYSA-N 2 0 302.384 3.599 20 0 DHADRP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)cc1 ZINC000295938480 1027495532 /nfs/dbraw/zinc/49/55/32/1027495532.db2.gz LGKACIPLHOFIFI-RGPMPMONSA-N 2 0 302.462 3.607 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423310005 1027496006 /nfs/dbraw/zinc/49/60/06/1027496006.db2.gz RAXXZBPUNPEVHU-BYCMXARLSA-N 2 0 300.368 3.526 20 0 DHADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423312088 1027496113 /nfs/dbraw/zinc/49/61/13/1027496113.db2.gz CSSJCLVLSIKIEW-XHSDSOJGSA-N 2 0 312.379 3.668 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310388 1027496162 /nfs/dbraw/zinc/49/61/62/1027496162.db2.gz AEVXOIHCLWRJJU-LSDHHAIUSA-N 2 0 300.368 3.729 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCCC[NH3+])c2cc(Br)ccc21 ZINC000423319430 1027499743 /nfs/dbraw/zinc/49/97/43/1027499743.db2.gz FGJZEWJATVONHK-CQSZACIVSA-N 2 0 311.267 3.500 20 0 DHADRP CCCC[C@H](C[NH3+])NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423295007 1027504136 /nfs/dbraw/zinc/50/41/36/1027504136.db2.gz DDQAWPJSYUTVNY-QGZVFWFLSA-N 2 0 311.558 3.773 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000423295864 1027505013 /nfs/dbraw/zinc/50/50/13/1027505013.db2.gz XOWXPKSIOIICQI-KUHUBIRLSA-N 2 0 312.482 3.827 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303851 1027507198 /nfs/dbraw/zinc/50/71/98/1027507198.db2.gz MRIQRCSRXBXDHH-HOTGVXAUSA-N 2 0 312.379 3.541 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423323238 1027508558 /nfs/dbraw/zinc/50/85/58/1027508558.db2.gz AEPUASQJOFRAEX-CJNGLKHVSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000423331071 1027509266 /nfs/dbraw/zinc/50/92/66/1027509266.db2.gz ODHSRZFPVXSXHM-INIZCTEOSA-N 2 0 309.457 3.789 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423354286 1027517675 /nfs/dbraw/zinc/51/76/75/1027517675.db2.gz NETAHWJZRBFXCM-NVXWUHKLSA-N 2 0 324.390 3.851 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423354285 1027518328 /nfs/dbraw/zinc/51/83/28/1027518328.db2.gz NETAHWJZRBFXCM-DOTOQJQBSA-N 2 0 324.390 3.851 20 0 DHADRP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423361562 1027520131 /nfs/dbraw/zinc/52/01/31/1027520131.db2.gz XCRJUDGOWUIXKL-SJLPKXTDSA-N 2 0 304.865 3.561 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OCC ZINC000423355271 1027520676 /nfs/dbraw/zinc/52/06/76/1027520676.db2.gz FDFUJCNTOPUOPA-IAGOWNOFSA-N 2 0 320.477 3.667 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000423365128 1027523938 /nfs/dbraw/zinc/52/39/38/1027523938.db2.gz CWJVJLBTJHAIDA-HYVNUMGLSA-N 2 0 320.477 3.523 20 0 DHADRP Cc1cc([C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C2CC2)ccc1F ZINC000423369547 1027524490 /nfs/dbraw/zinc/52/44/90/1027524490.db2.gz FBRYVMMNTISVOI-HXUWFJFHSA-N 2 0 310.416 3.978 20 0 DHADRP Cc1cccc(C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C2CC2)c1 ZINC000423369046 1027524730 /nfs/dbraw/zinc/52/47/30/1027524730.db2.gz DSZVTUZGCBZKHR-NRFANRHFSA-N 2 0 306.453 3.709 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc2cc(OC)ccc2c1 ZINC000423391341 1027530548 /nfs/dbraw/zinc/53/05/48/1027530548.db2.gz KWUILEVVYZOHNS-GKCIPKSASA-N 2 0 312.457 3.887 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423385503 1027531839 /nfs/dbraw/zinc/53/18/39/1027531839.db2.gz QVDRDXLRURXXGR-SOLBZPMBSA-N 2 0 304.478 3.903 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423396736 1027533964 /nfs/dbraw/zinc/53/39/64/1027533964.db2.gz SKZCLMAWNXAMCN-NRFANRHFSA-N 2 0 324.468 3.621 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423401186 1027535367 /nfs/dbraw/zinc/53/53/67/1027535367.db2.gz VWADOHLNCFZQRH-DRZSPHRISA-N 2 0 302.340 3.506 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423405851 1027537765 /nfs/dbraw/zinc/53/77/65/1027537765.db2.gz UCSCZXQRDBWTBU-DQLDELGASA-N 2 0 324.468 3.567 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000423408373 1027541893 /nfs/dbraw/zinc/54/18/93/1027541893.db2.gz XIUZVTJMGFOBBR-UIFIKXQLSA-N 2 0 308.469 3.948 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1ccsc1 ZINC000296120399 1027547347 /nfs/dbraw/zinc/54/73/47/1027547347.db2.gz VFPNHOPXWRLPIS-MRXNPFEDSA-N 2 0 312.442 3.878 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2ccccc2s1 ZINC000423450908 1027547604 /nfs/dbraw/zinc/54/76/04/1027547604.db2.gz XTHZBMUEMDOPSC-UHOFOFEASA-N 2 0 300.471 3.940 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc12 ZINC000423431213 1027550194 /nfs/dbraw/zinc/55/01/94/1027550194.db2.gz ILKUNYZQUBZHFQ-VOBQZIQPSA-N 2 0 324.468 3.887 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423440040 1027553292 /nfs/dbraw/zinc/55/32/92/1027553292.db2.gz SVSHPXHUJJXRAT-ABAIWWIYSA-N 2 0 315.383 3.585 20 0 DHADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423437469 1027553667 /nfs/dbraw/zinc/55/36/67/1027553667.db2.gz MFYPZAKRALZDLZ-BHYGNILZSA-N 2 0 322.880 3.777 20 0 DHADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423463940 1027556336 /nfs/dbraw/zinc/55/63/36/1027556336.db2.gz GBXZBNCVLLHRTP-NXHKRRBXSA-N 2 0 316.464 3.687 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000423472085 1027559173 /nfs/dbraw/zinc/55/91/73/1027559173.db2.gz XGTXVYLZZHANCD-KYOSRNDESA-N 2 0 310.894 3.984 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)c1nc2ccccc2s1 ZINC000423478616 1027560451 /nfs/dbraw/zinc/56/04/51/1027560451.db2.gz UCQSHTVVGNRMMT-BYNSBNAKSA-N 2 0 317.502 3.895 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423497312 1027564171 /nfs/dbraw/zinc/56/41/71/1027564171.db2.gz YRRXJKGLBMOXDN-SUMDDJOVSA-N 2 0 304.478 3.890 20 0 DHADRP Clc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423489518 1027570907 /nfs/dbraw/zinc/57/09/07/1027570907.db2.gz GFFIVMNZKSOROU-QZTJIDSGSA-N 2 0 322.880 3.539 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1F ZINC000423496709 1027573443 /nfs/dbraw/zinc/57/34/43/1027573443.db2.gz FKMVASILHVIABV-KSSFIOAISA-N 2 0 316.420 3.965 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)[C@H](C)C1 ZINC000576167516 1027575303 /nfs/dbraw/zinc/57/53/03/1027575303.db2.gz FYADEHLHUNGOLI-AQEOSJORSA-N 2 0 310.526 3.538 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423513794 1027577989 /nfs/dbraw/zinc/57/79/89/1027577989.db2.gz RMRUISVGDXTING-HFBAOOFYSA-N 2 0 323.278 3.617 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cn1 ZINC000423523864 1027581140 /nfs/dbraw/zinc/58/11/40/1027581140.db2.gz WGJZQRKHAQEVSC-SUMWQHHRSA-N 2 0 303.837 3.866 20 0 DHADRP Clc1cccc([C@H]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)C2)c1 ZINC000423536077 1027583737 /nfs/dbraw/zinc/58/37/37/1027583737.db2.gz GKOYKHWOCQBQLP-FUHWJXTLSA-N 2 0 304.865 3.876 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537799 1027584604 /nfs/dbraw/zinc/58/46/04/1027584604.db2.gz LAHPPVRLVKQURR-SFHVURJKSA-N 2 0 304.503 3.703 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2C)C2CC2)C1 ZINC000576654538 1027642531 /nfs/dbraw/zinc/64/25/31/1027642531.db2.gz QAYUIFPVTXRXOV-XLIONFOSSA-N 2 0 300.490 3.638 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2C)C2CC2)C1 ZINC000576654537 1027643135 /nfs/dbraw/zinc/64/31/35/1027643135.db2.gz QAYUIFPVTXRXOV-PXNSSMCTSA-N 2 0 300.490 3.638 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000576784512 1027660498 /nfs/dbraw/zinc/66/04/98/1027660498.db2.gz LMJVNACLQZFHSI-QZTJIDSGSA-N 2 0 320.525 3.548 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000577004925 1027692752 /nfs/dbraw/zinc/69/27/52/1027692752.db2.gz OHJPXKIUZLRFFU-ZIAGYGMSSA-N 2 0 308.416 3.636 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000527519331 1027743612 /nfs/dbraw/zinc/74/36/12/1027743612.db2.gz VABKEXZOBJVBAQ-YIYPIFLZSA-N 2 0 312.910 3.825 20 0 DHADRP CSc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000577312244 1027746588 /nfs/dbraw/zinc/74/65/88/1027746588.db2.gz DFQROKBMNUIQMZ-UHFFFAOYSA-N 2 0 310.532 3.778 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1)C[NH+](C)C ZINC000813876953 1027748071 /nfs/dbraw/zinc/74/80/71/1027748071.db2.gz FIOSUHIZRSMNPL-RYUDHWBXSA-N 2 0 302.434 3.850 20 0 DHADRP C[C@H]1C[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094500 1027758078 /nfs/dbraw/zinc/75/80/78/1027758078.db2.gz UXKLGBXVQQCXKX-DSLXNQLJSA-N 2 0 308.510 3.706 20 0 DHADRP Cc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000527537821 1027761502 /nfs/dbraw/zinc/76/15/02/1027761502.db2.gz GYSIBWOMAWHANX-IRXDYDNUSA-N 2 0 323.484 3.636 20 0 DHADRP FC(F)(F)c1sccc1CNC1CC[NH+](CC2CC2)CC1 ZINC000527641955 1027802127 /nfs/dbraw/zinc/80/21/27/1027802127.db2.gz QMBYQXIMWFWVFV-UHFFFAOYSA-N 2 0 318.408 3.731 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527652547 1027809197 /nfs/dbraw/zinc/80/91/97/1027809197.db2.gz HLXMANIPDRQMNR-LMQGHGSNSA-N 2 0 312.501 3.575 20 0 DHADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)ccn1 ZINC000527682944 1027842724 /nfs/dbraw/zinc/84/27/24/1027842724.db2.gz MNAATEIHYFUABM-UHFFFAOYSA-N 2 0 301.478 3.523 20 0 DHADRP Cc1ncccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000527792489 1027884898 /nfs/dbraw/zinc/88/48/98/1027884898.db2.gz AAFOWTXZOUXODI-FQEVSTJZSA-N 2 0 321.468 3.677 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc2cccnc12 ZINC000527813652 1027897462 /nfs/dbraw/zinc/89/74/62/1027897462.db2.gz ZAQJXMRZDXCIKB-LJQANCHMSA-N 2 0 309.457 3.650 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000365227541 1027907300 /nfs/dbraw/zinc/90/73/00/1027907300.db2.gz RXVXJFCQJBEHDS-YTQUADARSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCSCC1 ZINC000779028078 1027926550 /nfs/dbraw/zinc/92/65/50/1027926550.db2.gz WBPMIHSKYRQJJV-ZLPCBKJTSA-N 2 0 310.551 3.905 20 0 DHADRP Fc1cc2c(cc1Cl)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000527850924 1027934867 /nfs/dbraw/zinc/93/48/67/1027934867.db2.gz OWGRMBNLOKYLFB-PIGZYNQJSA-N 2 0 308.828 3.540 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527913481 1027966705 /nfs/dbraw/zinc/96/67/05/1027966705.db2.gz KLEGARVCPHVZOG-PXAZEXFGSA-N 2 0 310.844 3.788 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527913566 1027966759 /nfs/dbraw/zinc/96/67/59/1027966759.db2.gz KLEGARVCPHVZOG-YVEFUNNKSA-N 2 0 310.844 3.788 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)CC1 ZINC000563445197 1028049803 /nfs/dbraw/zinc/04/98/03/1028049803.db2.gz ZLSJZUNQWQTLAK-LJQANCHMSA-N 2 0 314.473 3.582 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367081941 1028136235 /nfs/dbraw/zinc/13/62/35/1028136235.db2.gz WLURQHXTYSCHOS-YLJYHZDGSA-N 2 0 315.505 3.962 20 0 DHADRP COc1cc([C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1F ZINC000367358072 1028172470 /nfs/dbraw/zinc/17/24/70/1028172470.db2.gz YYNRJNBDIURCFV-OAHLLOKOSA-N 2 0 320.452 3.703 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-c2cncnc2)cc1 ZINC000367655979 1028221036 /nfs/dbraw/zinc/22/10/36/1028221036.db2.gz FFFCPCTVSWJOTC-JXFKEZNVSA-N 2 0 324.472 3.669 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCOC2CCC2)CC1 ZINC000367739928 1028234144 /nfs/dbraw/zinc/23/41/44/1028234144.db2.gz YGZBSWTYEBYAMP-IBGZPJMESA-N 2 0 316.489 3.542 20 0 DHADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H]1Cc3ccccc31)CC2)C1CC1 ZINC000367873798 1028254201 /nfs/dbraw/zinc/25/42/01/1028254201.db2.gz JLQDTQUIJXKBBH-MSOLQXFVSA-N 2 0 310.485 3.523 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000578882731 1028264338 /nfs/dbraw/zinc/26/43/38/1028264338.db2.gz PLUWXFURTXKPRW-HOTGVXAUSA-N 2 0 316.470 3.783 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC(c3ccccn3)C2)c1 ZINC000368013367 1028275862 /nfs/dbraw/zinc/27/58/62/1028275862.db2.gz AUSLMQASYRQKKI-UHFFFAOYSA-N 2 0 323.484 3.958 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000578939766 1028279521 /nfs/dbraw/zinc/27/95/21/1028279521.db2.gz NYOAIUHJVPYTJE-CQSZACIVSA-N 2 0 317.864 3.708 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449071521 1028332750 /nfs/dbraw/zinc/33/27/50/1028332750.db2.gz HOMDQJGPMGTMAR-CQSZACIVSA-N 2 0 310.432 3.778 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449071286 1028332966 /nfs/dbraw/zinc/33/29/66/1028332966.db2.gz HFDACTCYMIBZNA-LSDHHAIUSA-N 2 0 311.429 3.795 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000449098389 1028352303 /nfs/dbraw/zinc/35/23/03/1028352303.db2.gz JDCXMAOMYZCNIP-LJQANCHMSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@@H](CC[NH+](C)C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449106748 1028359773 /nfs/dbraw/zinc/35/97/73/1028359773.db2.gz JJUCRHJSAQPJBU-INIZCTEOSA-N 2 0 311.558 3.595 20 0 DHADRP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2ccccc21 ZINC000449090793 1028364393 /nfs/dbraw/zinc/36/43/93/1028364393.db2.gz OKKSTDBTTNQLFF-MSOLQXFVSA-N 2 0 310.441 3.565 20 0 DHADRP C[NH+](C)[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449094253 1028365498 /nfs/dbraw/zinc/36/54/98/1028365498.db2.gz YLMJQEMSGGOIJN-SFHVURJKSA-N 2 0 323.569 3.595 20 0 DHADRP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000449120512 1028373680 /nfs/dbraw/zinc/37/36/80/1028373680.db2.gz DEPOJFUHVWTCPT-RBUKOAKNSA-N 2 0 320.521 3.722 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)sc2C1 ZINC000368617820 1028383184 /nfs/dbraw/zinc/38/31/84/1028383184.db2.gz SOAYTQJUDIPXPN-GOEBONIOSA-N 2 0 319.518 3.674 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000449147177 1028401835 /nfs/dbraw/zinc/40/18/35/1028401835.db2.gz FSLNCQVKWMOBFM-IBGZPJMESA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000449162146 1028420314 /nfs/dbraw/zinc/42/03/14/1028420314.db2.gz QWDZYIPAFLSUJJ-WSTZPKSXSA-N 2 0 322.537 3.682 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000579580852 1028441786 /nfs/dbraw/zinc/44/17/86/1028441786.db2.gz TWUFHZLROYOQTM-ZDUSSCGKSA-N 2 0 318.490 3.552 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000449214887 1028456190 /nfs/dbraw/zinc/45/61/90/1028456190.db2.gz YVMHDMANAYOWPT-IPJUCJBFSA-N 2 0 304.478 3.843 20 0 DHADRP CSCC1CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000449223761 1028466338 /nfs/dbraw/zinc/46/63/38/1028466338.db2.gz YXKLBDIILXFBCU-UHFFFAOYSA-N 2 0 306.519 3.760 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000564822622 1028507803 /nfs/dbraw/zinc/50/78/03/1028507803.db2.gz KNGBLBFFNJRAMR-CYBMUJFWSA-N 2 0 303.475 3.769 20 0 DHADRP CC(C)OCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000564959268 1028520211 /nfs/dbraw/zinc/52/02/11/1028520211.db2.gz QXIQWWUEMJGZJW-LJQANCHMSA-N 2 0 316.489 3.588 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000370150291 1028572698 /nfs/dbraw/zinc/57/26/98/1028572698.db2.gz RHDJKOZKGBBNIO-IBGZPJMESA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]([NH2+]CCCC(C)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449352848 1028587071 /nfs/dbraw/zinc/58/70/71/1028587071.db2.gz YLJCEYDIZMKHQT-RDJZCZTQSA-N 2 0 310.432 3.922 20 0 DHADRP C[C@@H]1CCC[C@@H](CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000370376565 1028596548 /nfs/dbraw/zinc/59/65/48/1028596548.db2.gz CPKDMJQDPRNASZ-MSOLQXFVSA-N 2 0 322.537 3.778 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000565610309 1028612083 /nfs/dbraw/zinc/61/20/83/1028612083.db2.gz XZIFACNDGLOSJG-MOPGFXCFSA-N 2 0 310.441 3.625 20 0 DHADRP Cc1cccc(OCCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1C ZINC000565634964 1028615645 /nfs/dbraw/zinc/61/56/45/1028615645.db2.gz TXQWYBITXDIYSK-UHFFFAOYSA-N 2 0 316.489 3.536 20 0 DHADRP Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000565877208 1028647941 /nfs/dbraw/zinc/64/79/41/1028647941.db2.gz JOZPDXNQBOGAIB-HXUWFJFHSA-N 2 0 307.441 3.636 20 0 DHADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000565877206 1028648280 /nfs/dbraw/zinc/64/82/80/1028648280.db2.gz JOZPDXNQBOGAIB-FQEVSTJZSA-N 2 0 307.441 3.636 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccncc2)[C@@H](C)C1 ZINC000371207743 1028676614 /nfs/dbraw/zinc/67/66/14/1028676614.db2.gz FNOBYAKPRHFZNW-OXJNMPFZSA-N 2 0 309.457 3.569 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(C)cc2)cc1 ZINC000566483523 1028733884 /nfs/dbraw/zinc/73/38/84/1028733884.db2.gz VCKDONJVRWWVQU-SFHLNBCPSA-N 2 0 324.468 3.953 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000566823711 1028788250 /nfs/dbraw/zinc/78/82/50/1028788250.db2.gz LWQSCIYQJLTWKM-XLIONFOSSA-N 2 0 300.490 3.529 20 0 DHADRP c1c2ccccc2oc1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000566849848 1028793353 /nfs/dbraw/zinc/79/33/53/1028793353.db2.gz QQCVYQBBWSFHOH-YWZLYKJASA-N 2 0 321.424 3.506 20 0 DHADRP CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000449565357 1028811132 /nfs/dbraw/zinc/81/11/32/1028811132.db2.gz IKRFAOXIZRMKPB-CABCVRRESA-N 2 0 323.444 3.809 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000568249496 1029032505 /nfs/dbraw/zinc/03/25/05/1029032505.db2.gz RYORBBJOLUVMPS-HZPDHXFCSA-N 2 0 304.503 3.951 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000373458613 1029049009 /nfs/dbraw/zinc/04/90/09/1029049009.db2.gz GYUKDFWYRLOWFK-IIBYNOLFSA-N 2 0 323.484 3.699 20 0 DHADRP NC[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)C1CCCCC1 ZINC000568605127 1029099043 /nfs/dbraw/zinc/09/90/43/1029099043.db2.gz VQYXXNGOWUSTPI-FQEVSTJZSA-N 2 0 309.457 3.746 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccnc1 ZINC000411439783 1029131691 /nfs/dbraw/zinc/13/16/91/1029131691.db2.gz QUCZXOFMCIZIAO-KRWDZBQOSA-N 2 0 309.457 3.918 20 0 DHADRP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000568875163 1029140628 /nfs/dbraw/zinc/14/06/28/1029140628.db2.gz HAMSSFXASKQMNI-GASCZTMLSA-N 2 0 306.416 3.915 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000569000455 1029157238 /nfs/dbraw/zinc/15/72/38/1029157238.db2.gz JCVSJUJHRSIJLO-GJZGRUSLSA-N 2 0 323.278 3.688 20 0 DHADRP C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000569106030 1029179206 /nfs/dbraw/zinc/17/92/06/1029179206.db2.gz OWSSPMUPNRVCRW-NWANDNLSSA-N 2 0 300.368 3.658 20 0 DHADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000569205533 1029193116 /nfs/dbraw/zinc/19/31/16/1029193116.db2.gz FBKYCJVCFYUWCS-MRXNPFEDSA-N 2 0 301.478 3.856 20 0 DHADRP CCc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817897542 1029268176 /nfs/dbraw/zinc/26/81/76/1029268176.db2.gz RUDCRISFYHKVEW-CTNGQTDRSA-N 2 0 322.452 3.595 20 0 DHADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817894704 1029268362 /nfs/dbraw/zinc/26/83/62/1029268362.db2.gz QAJXOJMYFNFZTL-VAMGGRTRSA-N 2 0 324.468 3.752 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000817907285 1029272881 /nfs/dbraw/zinc/27/28/81/1029272881.db2.gz AYMCTXZCAIOHJP-RBUKOAKNSA-N 2 0 304.478 3.652 20 0 DHADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569847400 1029274383 /nfs/dbraw/zinc/27/43/83/1029274383.db2.gz TXBDKEKDWGAJRY-FUHWJXTLSA-N 2 0 324.468 3.588 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000817919979 1029275284 /nfs/dbraw/zinc/27/52/84/1029275284.db2.gz XVAANDNFTMFHFM-UEKVPHQBSA-N 2 0 319.276 3.522 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926413 1029279654 /nfs/dbraw/zinc/27/96/54/1029279654.db2.gz IDJZEBPQYHGIQN-ZWNOBZJWSA-N 2 0 317.260 3.924 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000569891947 1029283042 /nfs/dbraw/zinc/28/30/42/1029283042.db2.gz HWVISKQKXADFNX-NLWGTHIKSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2sccc21 ZINC000817949713 1029289815 /nfs/dbraw/zinc/28/98/15/1029289815.db2.gz SRFRNWNPBXLRAB-SUMWQHHRSA-N 2 0 300.471 3.978 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)CCCO2 ZINC000817948965 1029290481 /nfs/dbraw/zinc/29/04/81/1029290481.db2.gz MRXUSWJHHVMPSN-FQEVSTJZSA-N 2 0 324.468 3.754 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000817931063 1029305124 /nfs/dbraw/zinc/30/51/24/1029305124.db2.gz IARQDSGWBMGAAD-FFZOFVMBSA-N 2 0 312.457 3.568 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000817931274 1029305456 /nfs/dbraw/zinc/30/54/56/1029305456.db2.gz KEMRDIHXZWYWSN-OLBNFPALSA-N 2 0 324.468 3.568 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000817965391 1029305831 /nfs/dbraw/zinc/30/58/31/1029305831.db2.gz TUGUTKPQHJSSPS-ZDUSSCGKSA-N 2 0 310.869 3.697 20 0 DHADRP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1Cl ZINC000450261731 1029308827 /nfs/dbraw/zinc/30/88/27/1029308827.db2.gz JLBLCVLRAOYWOS-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP C1CC([C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCOC2)C1 ZINC000925227125 1029310009 /nfs/dbraw/zinc/31/00/09/1029310009.db2.gz BJXWCBRMTQZCAQ-FVELJTHGSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccnc1Cl ZINC000817981844 1029317081 /nfs/dbraw/zinc/31/70/81/1029317081.db2.gz OHTVCIYAYWCRQU-BBRMVZONSA-N 2 0 303.837 3.866 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412087305 1029317493 /nfs/dbraw/zinc/31/74/93/1029317493.db2.gz WWSIWRHYVLGGET-CVEARBPZSA-N 2 0 307.482 3.544 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC000817986895 1029323699 /nfs/dbraw/zinc/32/36/99/1029323699.db2.gz VMYWRMUKSYXJSL-HZPDHXFCSA-N 2 0 302.462 3.637 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1Cl ZINC000817987497 1029324614 /nfs/dbraw/zinc/32/46/14/1029324614.db2.gz ZZVQPQDDXNTWMY-CYBMUJFWSA-N 2 0 308.853 3.617 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@H]2CCC[C@@H]21 ZINC000570249898 1029340400 /nfs/dbraw/zinc/34/04/00/1029340400.db2.gz IHYLOGVUEBZCKY-ZZVYKPCYSA-N 2 0 310.894 3.851 20 0 DHADRP Cc1cncc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000629527930 1029359249 /nfs/dbraw/zinc/35/92/49/1029359249.db2.gz JTKYTMGFBQMFEN-RTWAWAEBSA-N 2 0 323.484 3.562 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629565885 1029370369 /nfs/dbraw/zinc/37/03/69/1029370369.db2.gz XXMCENNNBKAQFR-WBVHZDCISA-N 2 0 322.374 3.799 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374519499 1029370536 /nfs/dbraw/zinc/37/05/36/1029370536.db2.gz JUVGLVOLGGCVAO-SFHVURJKSA-N 2 0 301.409 3.542 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000570826326 1029424997 /nfs/dbraw/zinc/42/49/97/1029424997.db2.gz AGPUYLQTRHUVKS-DVOMOZLQSA-N 2 0 310.388 3.525 20 0 DHADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170914288 1029434749 /nfs/dbraw/zinc/43/47/49/1029434749.db2.gz IQKGZJIKVAPNIS-OAGGEKHMSA-N 2 0 306.881 3.660 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000818960355 1029438402 /nfs/dbraw/zinc/43/84/02/1029438402.db2.gz YKNVIZROCQHWOD-YJBOKZPZSA-N 2 0 324.896 3.618 20 0 DHADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1Cl ZINC000623404050 1029531976 /nfs/dbraw/zinc/53/19/76/1029531976.db2.gz PDQIFMDMVGTXBW-HNNXBMFYSA-N 2 0 310.869 3.559 20 0 DHADRP OCCC[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229549 1029554507 /nfs/dbraw/zinc/55/45/07/1029554507.db2.gz NMCKSZDREQLEQL-YNIZLOQISA-N 2 0 322.537 3.704 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170932410 1029592497 /nfs/dbraw/zinc/59/24/97/1029592497.db2.gz DWSRLKHMQTTYJL-INIZCTEOSA-N 2 0 306.881 3.615 20 0 DHADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811676 1029770010 /nfs/dbraw/zinc/77/00/10/1029770010.db2.gz ULJVGPBWRDMCDV-KBPBESRZSA-N 2 0 315.461 3.635 20 0 DHADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820816249 1029770922 /nfs/dbraw/zinc/77/09/22/1029770922.db2.gz ZBEUBBSSIPPZMR-RKVPGOIHSA-N 2 0 316.445 3.504 20 0 DHADRP CS[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820830042 1029777612 /nfs/dbraw/zinc/77/76/12/1029777612.db2.gz OTLYPGICQVHYCD-BPIHKTFHSA-N 2 0 318.530 3.913 20 0 DHADRP COc1cccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CC2(C)C)c1 ZINC000530230465 1029783308 /nfs/dbraw/zinc/78/33/08/1029783308.db2.gz GNUYWYAXROQVSF-VQIMIIECSA-N 2 0 316.489 3.510 20 0 DHADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000530219078 1029786800 /nfs/dbraw/zinc/78/68/00/1029786800.db2.gz YXFUVVSULRMWFL-OIISXLGYSA-N 2 0 304.865 3.850 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001170978352 1029948218 /nfs/dbraw/zinc/94/82/18/1029948218.db2.gz UUWCYLYGUIZCGI-WBVHZDCISA-N 2 0 304.453 3.524 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865764647 1030013507 /nfs/dbraw/zinc/01/35/07/1030013507.db2.gz KAEAPNZALSJWGY-UHFFFAOYSA-N 2 0 315.436 3.726 20 0 DHADRP CC(C)Cc1ncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)s1 ZINC000865765328 1030014470 /nfs/dbraw/zinc/01/44/70/1030014470.db2.gz QRYRAPFDNGRFGS-UHFFFAOYSA-N 2 0 309.523 3.694 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000865765024 1030014896 /nfs/dbraw/zinc/01/48/96/1030014896.db2.gz IUNGDTMANDCISN-UHFFFAOYSA-N 2 0 315.436 3.726 20 0 DHADRP C[NH2+]C1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC001246193767 1030068964 /nfs/dbraw/zinc/06/89/64/1030068964.db2.gz PQUIYMYGKRQEFN-VCANKDNSSA-N 2 0 311.267 3.630 20 0 DHADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccc(C)cc1 ZINC000924546036 1030119837 /nfs/dbraw/zinc/11/98/37/1030119837.db2.gz FTSGQJSLPWCQTL-RAFMOHDBSA-N 2 0 316.489 3.678 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccnnc1 ZINC000924605913 1030136304 /nfs/dbraw/zinc/13/63/04/1030136304.db2.gz YDZBEPGZFGHQQX-QGZVFWFLSA-N 2 0 324.472 3.559 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccnn1C1CCC1 ZINC000924606357 1030136870 /nfs/dbraw/zinc/13/68/70/1030136870.db2.gz KUFQBMSVDUEBNH-OAHLLOKOSA-N 2 0 312.461 3.521 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000822841711 1030143793 /nfs/dbraw/zinc/14/37/93/1030143793.db2.gz OLDCKUVQJILQLS-BFHYXJOUSA-N 2 0 319.320 3.813 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000924651728 1030151201 /nfs/dbraw/zinc/15/12/01/1030151201.db2.gz ZZSRFUAESBUXEX-JKSUJKDBSA-N 2 0 324.468 3.983 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924682651 1030156603 /nfs/dbraw/zinc/15/66/03/1030156603.db2.gz COOVYGFAOWFMJP-BWPNAZKDSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924682654 1030158392 /nfs/dbraw/zinc/15/83/92/1030158392.db2.gz COOVYGFAOWFMJP-PIKOESSRSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H](CCc1cncc2ccccc21)[NH2+]C1CCN(C2CC2)CC1 ZINC000866220228 1030167273 /nfs/dbraw/zinc/16/72/73/1030167273.db2.gz DGOCIEGSTRCGRW-INIZCTEOSA-N 2 0 323.484 3.772 20 0 DHADRP C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866228429 1030168331 /nfs/dbraw/zinc/16/83/31/1030168331.db2.gz HGVHFMVSJCOUCZ-NWDGAFQWSA-N 2 0 319.836 3.616 20 0 DHADRP CO[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000924740656 1030177513 /nfs/dbraw/zinc/17/75/13/1030177513.db2.gz TVLMTQGXVGWYIJ-JXFKEZNVSA-N 2 0 312.457 3.787 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924829906 1030200523 /nfs/dbraw/zinc/20/05/23/1030200523.db2.gz UZTOGCKQDFNMLT-CQSZACIVSA-N 2 0 315.461 3.982 20 0 DHADRP CC(C)[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000866289526 1030208156 /nfs/dbraw/zinc/20/81/56/1030208156.db2.gz FKTWJJZJYAEWBE-FQEVSTJZSA-N 2 0 324.472 3.680 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924857169 1030210083 /nfs/dbraw/zinc/21/00/83/1030210083.db2.gz ZGWVEBGTPJXCHA-HXUWFJFHSA-N 2 0 323.440 3.849 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924960660 1030233609 /nfs/dbraw/zinc/23/36/09/1030233609.db2.gz QOCAEKWIJZATJI-WSTZPKSXSA-N 2 0 315.505 3.503 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)c1 ZINC000924959406 1030235262 /nfs/dbraw/zinc/23/52/62/1030235262.db2.gz NXUYUCGMMYZNER-UHFFFAOYSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924956972 1030235839 /nfs/dbraw/zinc/23/58/39/1030235839.db2.gz ZWCOLZPRCISACO-HOTGVXAUSA-N 2 0 312.457 3.736 20 0 DHADRP CSC1(C[NH2+][C@H]2CCCc3c(F)cccc32)CC[NH+](C)CC1 ZINC000866361964 1030254450 /nfs/dbraw/zinc/25/44/50/1030254450.db2.gz WMQIPOPUTMRIBE-KRWDZBQOSA-N 2 0 322.493 3.620 20 0 DHADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC2CCOCC2)c1 ZINC000358033044 1030286812 /nfs/dbraw/zinc/28/68/12/1030286812.db2.gz FKRFWDBYEQRFLP-KRWDZBQOSA-N 2 0 318.505 3.822 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000925158974 1030289719 /nfs/dbraw/zinc/28/97/19/1030289719.db2.gz VYXARKZTKVXSMK-QGZVFWFLSA-N 3 0 317.521 3.521 20 0 DHADRP CSc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000358037588 1030292748 /nfs/dbraw/zinc/29/27/48/1030292748.db2.gz RFZJKSCXQQDSCN-QAPCUYQASA-N 2 0 316.514 3.857 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171016814 1030295551 /nfs/dbraw/zinc/29/55/51/1030295551.db2.gz BCVWSUZIDLLCHG-KRWDZBQOSA-N 2 0 320.908 3.907 20 0 DHADRP CC(C)[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)c1ccccn1 ZINC000866470303 1030308930 /nfs/dbraw/zinc/30/89/30/1030308930.db2.gz VCAZOVUJJKYLNE-LJQANCHMSA-N 2 0 303.494 3.879 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000866469613 1030309475 /nfs/dbraw/zinc/30/94/75/1030309475.db2.gz NPGRQLWKQFKCSV-LJQANCHMSA-N 2 0 319.468 3.772 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000866468968 1030309982 /nfs/dbraw/zinc/30/99/82/1030309982.db2.gz JPIFVFVHWRWNCM-GOSISDBHSA-N 2 0 317.521 3.893 20 0 DHADRP C1CC1[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000925229874 1030311130 /nfs/dbraw/zinc/31/11/30/1030311130.db2.gz QJORKIIHVQMHGM-YNIZLOQISA-N 2 0 320.521 3.578 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000866467758 1030311075 /nfs/dbraw/zinc/31/10/75/1030311075.db2.gz PNHKPQWFGXTCOQ-MRXNPFEDSA-N 2 0 303.494 3.860 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000291059827 1030317066 /nfs/dbraw/zinc/31/70/66/1030317066.db2.gz ACMBEWSBMBJPHK-ZDUSSCGKSA-N 2 0 321.465 3.942 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000866506667 1030333202 /nfs/dbraw/zinc/33/32/02/1030333202.db2.gz OYUXSZOHVKDYOG-MJBXVCDLSA-N 2 0 306.416 3.818 20 0 DHADRP COc1cc(C)ccc1[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516746 1030342793 /nfs/dbraw/zinc/34/27/93/1030342793.db2.gz UCTHECMMCRLXRU-LYGPFTKASA-N 2 0 304.478 3.917 20 0 DHADRP COC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000866516981 1030342816 /nfs/dbraw/zinc/34/28/16/1030342816.db2.gz FTCRWURYXYFRSE-ADKAHSJRSA-N 2 0 324.896 3.880 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518207 1030342855 /nfs/dbraw/zinc/34/28/55/1030342855.db2.gz UUMMBODQHFECSG-IPJUCJBFSA-N 2 0 303.494 3.645 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000866535885 1030356910 /nfs/dbraw/zinc/35/69/10/1030356910.db2.gz YQCGDOXLIZBNJN-DZGCQCFKSA-N 2 0 318.427 3.984 20 0 DHADRP COCc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000925510019 1030381224 /nfs/dbraw/zinc/38/12/24/1030381224.db2.gz SLIRMVQEAOGRNH-LJQANCHMSA-N 2 0 316.420 3.542 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000925539161 1030391806 /nfs/dbraw/zinc/39/18/06/1030391806.db2.gz ZKGGQWPMDYLMDF-NQIIRXRSSA-N 2 0 323.484 3.583 20 0 DHADRP CCOCc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925537133 1030393713 /nfs/dbraw/zinc/39/37/13/1030393713.db2.gz JGFIJPCDXFQLQX-HXUWFJFHSA-N 2 0 312.457 3.793 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925537525 1030393863 /nfs/dbraw/zinc/39/38/63/1030393863.db2.gz LJUKCXKHXLBROY-PMACEKPBSA-N 2 0 311.473 3.891 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000925544384 1030394697 /nfs/dbraw/zinc/39/46/97/1030394697.db2.gz QOSWWPZVTBLQSG-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP C(CCC[NH2+][C@H]1CCOC2(CCC2)C1)CCC[NH+]1CCCC1 ZINC000823812515 1030396224 /nfs/dbraw/zinc/39/62/24/1030396224.db2.gz KUGQQZHGHSYDFJ-SFHVURJKSA-N 2 0 308.510 3.724 20 0 DHADRP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925547468 1030399749 /nfs/dbraw/zinc/39/97/49/1030399749.db2.gz OFXGEXQULWVGRQ-QRVBRYPASA-N 2 0 314.473 3.577 20 0 DHADRP CCOc1cc(C)ccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925553623 1030402307 /nfs/dbraw/zinc/40/23/07/1030402307.db2.gz UIFGRUMCKLJIKR-LJQANCHMSA-N 2 0 312.457 3.964 20 0 DHADRP CC[C@H](C[C@@H](C)O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000866634672 1030416339 /nfs/dbraw/zinc/41/63/39/1030416339.db2.gz SPXSYSIWDLTEKI-HSFDUWRESA-N 2 0 318.505 3.569 20 0 DHADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925613272 1030422751 /nfs/dbraw/zinc/42/27/51/1030422751.db2.gz BXCGBYHZUWQISU-OIISXLGYSA-N 2 0 318.486 3.630 20 0 DHADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925638701 1030429457 /nfs/dbraw/zinc/42/94/57/1030429457.db2.gz GEGBYAFRDIVRHB-QEJZJMRPSA-N 2 0 306.498 3.503 20 0 DHADRP COCCC[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccc(Cl)cc1 ZINC000925664953 1030446027 /nfs/dbraw/zinc/44/60/27/1030446027.db2.gz HTIIJZWLZAZKAJ-RDJZCZTQSA-N 2 0 324.896 3.580 20 0 DHADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925700402 1030457592 /nfs/dbraw/zinc/45/75/92/1030457592.db2.gz SYZSTIBCHZLZRB-UXHICEINSA-N 2 0 309.457 3.716 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccccc1 ZINC000925701647 1030457809 /nfs/dbraw/zinc/45/78/09/1030457809.db2.gz CQLYWQSLHVTZRT-WOJBJXKFSA-N 2 0 323.484 3.873 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccccc1 ZINC000925700737 1030457923 /nfs/dbraw/zinc/45/79/23/1030457923.db2.gz SFCXPLKMGYMWMO-LJQANCHMSA-N 2 0 309.457 3.615 20 0 DHADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925700404 1030458426 /nfs/dbraw/zinc/45/84/26/1030458426.db2.gz SYZSTIBCHZLZRB-WOJBJXKFSA-N 2 0 309.457 3.716 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccccc1 ZINC000925700736 1030458793 /nfs/dbraw/zinc/45/87/93/1030458793.db2.gz SFCXPLKMGYMWMO-IBGZPJMESA-N 2 0 309.457 3.615 20 0 DHADRP CC(C)(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC(F)(F)F ZINC000925718467 1030463328 /nfs/dbraw/zinc/46/33/28/1030463328.db2.gz WRAOMUWPDQQSHD-KBPBESRZSA-N 2 0 306.416 3.723 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccccc1 ZINC000925721832 1030464769 /nfs/dbraw/zinc/46/47/69/1030464769.db2.gz GXDCNMKXGBBCGM-RTBURBONSA-N 2 0 316.489 3.796 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](O)c2ccccc2)CC1 ZINC000925292752 1030470368 /nfs/dbraw/zinc/47/03/68/1030470368.db2.gz NNFRKTUHPVERKS-FXAWDEMLSA-N 2 0 318.505 3.599 20 0 DHADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925738201 1030471560 /nfs/dbraw/zinc/47/15/60/1030471560.db2.gz WTJNCFWIDDAPGN-LVQVYYBASA-N 2 0 300.437 3.712 20 0 DHADRP CC(C)([NH3+])CCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000925739733 1030471851 /nfs/dbraw/zinc/47/18/51/1030471851.db2.gz DSBUCSGOTRKSFE-GOSISDBHSA-N 2 0 309.413 3.634 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H](C[C@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000925760795 1030485669 /nfs/dbraw/zinc/48/56/69/1030485669.db2.gz SCZNZZXKKCJHKA-QZTJIDSGSA-N 2 0 320.452 3.639 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1(c2ccccc2)CCCC1 ZINC000925777489 1030493243 /nfs/dbraw/zinc/49/32/43/1030493243.db2.gz PETLATKXZXXWOU-DOTOQJQBSA-N 2 0 322.443 3.721 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1C(F)(F)F ZINC000925797560 1030500700 /nfs/dbraw/zinc/50/07/00/1030500700.db2.gz IHIVIMUEDWGBLK-FRRDWIJNSA-N 2 0 300.368 3.602 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1ccc2ncccc2c1)c1ccccc1 ZINC000925814824 1030506282 /nfs/dbraw/zinc/50/62/82/1030506282.db2.gz QSAPXXNRNLAJNX-FQEVSTJZSA-N 2 0 319.452 3.847 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000925822987 1030508020 /nfs/dbraw/zinc/50/80/20/1030508020.db2.gz NFKRSVRQFVKQRA-QJTDPOQLSA-N 3 0 313.489 3.518 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1C ZINC000925827807 1030511342 /nfs/dbraw/zinc/51/13/42/1030511342.db2.gz BXRVZKDDBHUAFK-UONOGXRCSA-N 2 0 313.445 3.578 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558275857 1030512286 /nfs/dbraw/zinc/51/22/86/1030512286.db2.gz DJMJWEZMDJSSAZ-XWCCPHMRSA-N 2 0 316.489 3.551 20 0 DHADRP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000925840002 1030517250 /nfs/dbraw/zinc/51/72/50/1030517250.db2.gz UTNWAPMCJZBKGQ-AVEIZBFRSA-N 2 0 320.427 3.546 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccccc1 ZINC000925873977 1030528056 /nfs/dbraw/zinc/52/80/56/1030528056.db2.gz OSNYECGIZULDTO-SFTDATJTSA-N 2 0 324.468 3.760 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CC[C@H]([NH3+])C3)oc21 ZINC000925881779 1030532228 /nfs/dbraw/zinc/53/22/28/1030532228.db2.gz GMYTXHZAPNSDFH-GUTXKFCHSA-N 2 0 302.418 3.610 20 0 DHADRP CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccsc1 ZINC000925880758 1030532281 /nfs/dbraw/zinc/53/22/81/1030532281.db2.gz BFIVQFLDWHXEML-KURKYZTESA-N 2 0 300.471 3.848 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CC[C@H]([NH3+])C3)oc21 ZINC000925881780 1030532911 /nfs/dbraw/zinc/53/29/11/1030532911.db2.gz GMYTXHZAPNSDFH-NFAWXSAZSA-N 2 0 302.418 3.610 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)ccc1F ZINC000925887900 1030536144 /nfs/dbraw/zinc/53/61/44/1030536144.db2.gz ORMIKQSIRRSYQP-NRXGSXMXSA-N 2 0 316.395 3.675 20 0 DHADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887898 1030537124 /nfs/dbraw/zinc/53/71/24/1030537124.db2.gz OQYCOYDPSKFVEM-DJPFJPOOSA-N 2 0 324.468 3.713 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000558419400 1030569138 /nfs/dbraw/zinc/56/91/38/1030569138.db2.gz VLSOEHVSTFRUQT-LJQANCHMSA-N 2 0 316.489 3.638 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccnc2)CC1)CC(C)C ZINC000358743315 1030610413 /nfs/dbraw/zinc/61/04/13/1030610413.db2.gz GXPFYTGTVCBRJK-UHFFFAOYSA-N 2 0 303.494 3.662 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000246478507 1030613574 /nfs/dbraw/zinc/61/35/74/1030613574.db2.gz GLLPNFBGYXSBJG-MAUKXSAKSA-N 2 0 304.503 3.814 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000926159252 1030635942 /nfs/dbraw/zinc/63/59/42/1030635942.db2.gz BIFBEUHHYIETQL-KBPBESRZSA-N 2 0 303.475 3.659 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cnccn1 ZINC000246851654 1030659544 /nfs/dbraw/zinc/65/95/44/1030659544.db2.gz CORINETYSJFIAF-IAGOWNOFSA-N 2 0 324.472 3.559 20 0 DHADRP CC(C)(CC[NH3+])[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246357862 1030661788 /nfs/dbraw/zinc/66/17/88/1030661788.db2.gz AXKNLGJYXDHSTH-LBPRGKRZSA-N 2 0 301.261 3.568 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000246950562 1030664432 /nfs/dbraw/zinc/66/44/32/1030664432.db2.gz IBEKNIXXODSYTI-ZWKOTPCHSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCOC1 ZINC000247073982 1030671959 /nfs/dbraw/zinc/67/19/59/1030671959.db2.gz OKWQAZOCJZSKEA-ZWOKBUDYSA-N 2 0 316.489 3.576 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000247067508 1030673476 /nfs/dbraw/zinc/67/34/76/1030673476.db2.gz VOWSEDKWVPMIGC-PZJWPPBQSA-N 2 0 321.468 3.665 20 0 DHADRP CCc1ccc([C@@H](CC)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000247946556 1030709212 /nfs/dbraw/zinc/70/92/12/1030709212.db2.gz DNXBTJFMTGPRGA-VQTJNVASSA-N 2 0 318.505 3.527 20 0 DHADRP CCc1ccc([C@H](CC)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000247946552 1030710536 /nfs/dbraw/zinc/71/05/36/1030710536.db2.gz DNXBTJFMTGPRGA-PMACEKPBSA-N 2 0 318.505 3.527 20 0 DHADRP c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060704 1030716492 /nfs/dbraw/zinc/71/64/92/1030716492.db2.gz LVOHIZFOKBONNH-LEWJYISDSA-N 2 0 321.468 3.568 20 0 DHADRP C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926406458 1030726538 /nfs/dbraw/zinc/72/65/38/1030726538.db2.gz CCEIMDREQYLULA-LBPRGKRZSA-N 2 0 300.368 3.741 20 0 DHADRP C[C@H](c1cnccn1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248621466 1030756371 /nfs/dbraw/zinc/75/63/71/1030756371.db2.gz NDXSJZGJIDDWBS-IAGOWNOFSA-N 2 0 316.493 3.514 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnn(C2CCC2)c1 ZINC000926488038 1030760441 /nfs/dbraw/zinc/76/04/41/1030760441.db2.gz SKWPHTPLTDPRRE-INIZCTEOSA-N 2 0 304.482 3.525 20 0 DHADRP CCSc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248801537 1030765597 /nfs/dbraw/zinc/76/55/97/1030765597.db2.gz ZKAJCNTZMATLCS-WMZOPIPTSA-N 2 0 304.503 3.715 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292116432 1030817956 /nfs/dbraw/zinc/81/79/56/1030817956.db2.gz JREWPGPFRKQCSV-SJLPKXTDSA-N 2 0 304.503 3.585 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000926652835 1030842915 /nfs/dbraw/zinc/84/29/15/1030842915.db2.gz YQPBKEPHKDMBGU-CVEARBPZSA-N 2 0 304.881 3.791 20 0 DHADRP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1F ZINC000926659103 1030847128 /nfs/dbraw/zinc/84/71/28/1030847128.db2.gz AKRCMHXOHXZEMM-IHBAFOEMSA-N 2 0 320.452 3.508 20 0 DHADRP Clc1ccc(Cl)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1Cl ZINC000666787311 1030848570 /nfs/dbraw/zinc/84/85/70/1030848570.db2.gz GFLSYYKMAUJNRV-SECBINFHSA-N 2 0 307.652 3.736 20 0 DHADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cccc(C(F)(F)F)c1 ZINC000359229910 1030854031 /nfs/dbraw/zinc/85/40/31/1030854031.db2.gz YLLSIJSUOJEDLF-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926674447 1030854457 /nfs/dbraw/zinc/85/44/57/1030854457.db2.gz FLZPEKUIEFFGKF-MOPGFXCFSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC000926788979 1030927509 /nfs/dbraw/zinc/92/75/09/1030927509.db2.gz DLAMCAXUJBTQJK-IBGZPJMESA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000926792028 1030929808 /nfs/dbraw/zinc/92/98/08/1030929808.db2.gz VROCOPJBWXBJNX-KRWDZBQOSA-N 2 0 321.896 3.822 20 0 DHADRP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107532 1030971682 /nfs/dbraw/zinc/97/16/82/1030971682.db2.gz CDWNDZWUWRCRJS-SFHVURJKSA-N 2 0 318.892 3.791 20 0 DHADRP [NH3+]CCC1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171108431 1030980778 /nfs/dbraw/zinc/98/07/78/1030980778.db2.gz IEZGDHYCSFLOFF-ZTUNLMCQSA-N 2 0 306.881 3.695 20 0 DHADRP CCSc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926924154 1031001105 /nfs/dbraw/zinc/00/11/05/1031001105.db2.gz VXCNOFFIYUFMIS-ALOPSCKCSA-N 2 0 304.503 3.556 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926949277 1031011911 /nfs/dbraw/zinc/01/19/11/1031011911.db2.gz MKQDPMCYPAASAG-CLWVCHIJSA-N 2 0 318.427 3.818 20 0 DHADRP CCC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccn1 ZINC000927038477 1031045604 /nfs/dbraw/zinc/04/56/04/1031045604.db2.gz OENKACFSJGVPBE-CUYAVPTFSA-N 2 0 301.478 3.919 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccnc(Cl)c1 ZINC000927038983 1031047093 /nfs/dbraw/zinc/04/70/93/1031047093.db2.gz QXJCVGVFZMIDMB-KTAKPFMOSA-N 2 0 307.869 3.793 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]C1CCC(C)([NH+]3CCC3)CC1)CCC2 ZINC000927038080 1031047172 /nfs/dbraw/zinc/04/71/72/1031047172.db2.gz MLOUGEQMBPVQQN-BFHRDPOASA-N 2 0 319.518 3.826 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(C[NH+](C)C)c1 ZINC000927062187 1031059324 /nfs/dbraw/zinc/05/93/24/1031059324.db2.gz YKUISPMWTXMBKT-HNAYVOBHSA-N 2 0 309.457 3.871 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc(Cl)c3Cl)C[C@H]21 ZINC000261770380 1031060393 /nfs/dbraw/zinc/06/03/93/1031060393.db2.gz DQRUBGAALHJVIM-FBIMIBRVSA-N 2 0 305.274 3.614 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)C2CCC2)cc1 ZINC000927065314 1031062092 /nfs/dbraw/zinc/06/20/92/1031062092.db2.gz CROWIRQBXOLUSX-DKSSEZFCSA-N 2 0 302.462 3.609 20 0 DHADRP Fc1ccc(CC[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000262017287 1031086281 /nfs/dbraw/zinc/08/62/81/1031086281.db2.gz VTOUSNLHPWQIRQ-QGZVFWFLSA-N 2 0 304.453 3.612 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000262020337 1031091803 /nfs/dbraw/zinc/09/18/03/1031091803.db2.gz WCPTWNVQDWHCIC-GDBMZVCRSA-N 2 0 314.404 3.787 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000359809255 1031147966 /nfs/dbraw/zinc/14/79/66/1031147966.db2.gz ZCEMRAVVHROMMH-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000360021976 1031244478 /nfs/dbraw/zinc/24/44/78/1031244478.db2.gz GRTVGJGSVMHHQE-ZOBUZTSGSA-N 2 0 320.477 3.617 20 0 DHADRP COc1ccccc1/C=C/C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292915999 1031249585 /nfs/dbraw/zinc/24/95/85/1031249585.db2.gz FUGGKOPRNXYGGS-PKNBQFBNSA-N 2 0 302.462 3.564 20 0 DHADRP CC(C)(C[NH2+]Cc1ccc(F)c2cccnc12)C[NH+]1CCCC1 ZINC000360167921 1031304818 /nfs/dbraw/zinc/30/48/18/1031304818.db2.gz HFMAMIVEUSENFI-UHFFFAOYSA-N 2 0 315.436 3.586 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000536652158 1031356132 /nfs/dbraw/zinc/35/61/32/1031356132.db2.gz WVTCLQLCIBYJFZ-WOJBJXKFSA-N 2 0 300.490 3.842 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000844904190 1031389168 /nfs/dbraw/zinc/38/91/68/1031389168.db2.gz CZCUTGCQEGWCGK-HUUCEWRRSA-N 2 0 300.368 3.617 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000844924953 1031403686 /nfs/dbraw/zinc/40/36/86/1031403686.db2.gz OAQRDHQZDRZMOT-SNVBAGLBSA-N 2 0 316.276 3.616 20 0 DHADRP CC[C@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000872020128 1031403867 /nfs/dbraw/zinc/40/38/67/1031403867.db2.gz DOEAGBLIJOZJOZ-OAHLLOKOSA-N 2 0 302.384 3.959 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872024249 1031408634 /nfs/dbraw/zinc/40/86/34/1031408634.db2.gz ZQGHCRKWUZSSEQ-ROUUACIJSA-N 2 0 308.510 3.580 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)[C@H]1CCCOC1 ZINC000872025605 1031410689 /nfs/dbraw/zinc/41/06/89/1031410689.db2.gz QADQOCHSISLZDM-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP C(CC[NH2+][C@H]1CCOC2(CCCC2)C1)CC[NH+]1CCCCC1 ZINC000872033385 1031416644 /nfs/dbraw/zinc/41/66/44/1031416644.db2.gz CVPMOUMLPUFYCM-SFHVURJKSA-N 2 0 308.510 3.724 20 0 DHADRP FC(F)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855390 1031420583 /nfs/dbraw/zinc/42/05/83/1031420583.db2.gz PLCURULUOFXEMM-CQSZACIVSA-N 2 0 320.383 3.673 20 0 DHADRP CC(C)SCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379650946 1031426174 /nfs/dbraw/zinc/42/61/74/1031426174.db2.gz SZWVRHNEUKLDMA-WMZOPIPTSA-N 2 0 306.519 3.771 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872051815 1031439973 /nfs/dbraw/zinc/43/99/73/1031439973.db2.gz KPWGXBFJJULEML-KZNAEPCWSA-N 2 0 310.526 3.538 20 0 DHADRP COCCC[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536826418 1031448075 /nfs/dbraw/zinc/44/80/75/1031448075.db2.gz LCVJZISEYKPGOB-NSHGMRRFSA-N 2 0 318.505 3.692 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000536856161 1031456280 /nfs/dbraw/zinc/45/62/80/1031456280.db2.gz DIPGCIDCMKIWFY-IBGZPJMESA-N 2 0 306.494 3.678 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536849174 1031457088 /nfs/dbraw/zinc/45/70/88/1031457088.db2.gz APTQHUDDCUQGRE-RVKKMQEKSA-N 2 0 324.896 3.817 20 0 DHADRP COCC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000872106228 1031495716 /nfs/dbraw/zinc/49/57/16/1031495716.db2.gz PTYJIZGDKKHHCE-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc4c3CC[C@@H]4[NH3+])c2c1 ZINC001171168029 1031498326 /nfs/dbraw/zinc/49/83/26/1031498326.db2.gz IOURSQJHCUPZLI-KUHUBIRLSA-N 2 0 319.452 3.775 20 0 DHADRP c1ccc(OC[C@H](NCCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000537115576 1031511235 /nfs/dbraw/zinc/51/12/35/1031511235.db2.gz HQAAZTLSEIGNHZ-NRFANRHFSA-N 2 0 324.468 3.882 20 0 DHADRP CC(C)n1ccc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156068 1031537027 /nfs/dbraw/zinc/53/70/27/1031537027.db2.gz DHYVDNAWNNHGQN-LPHOPBHVSA-N 2 0 318.509 3.584 20 0 DHADRP Cc1ccncc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157188 1031538002 /nfs/dbraw/zinc/53/80/02/1031538002.db2.gz NIVCYWNOGKVDPL-QFBILLFUSA-N 2 0 301.478 3.510 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1csc(-c2ccc(F)cc2)n1 ZINC000872155513 1031538572 /nfs/dbraw/zinc/53/85/72/1031538572.db2.gz OCWQGHLQRDOQOS-UHFFFAOYSA-N 2 0 321.465 3.900 20 0 DHADRP Cc1cncc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872158049 1031539412 /nfs/dbraw/zinc/53/94/12/1031539412.db2.gz SGPUYHCYBMTGJF-LPHOPBHVSA-N 2 0 301.478 3.510 20 0 DHADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158694 1031539656 /nfs/dbraw/zinc/53/96/56/1031539656.db2.gz XAHJRCFZDGJVKX-GPMSIDNRSA-N 2 0 301.478 3.762 20 0 DHADRP Cc1cncc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872158047 1031540440 /nfs/dbraw/zinc/54/04/40/1031540440.db2.gz SGPUYHCYBMTGJF-APWZRJJASA-N 2 0 301.478 3.510 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000537302956 1031562893 /nfs/dbraw/zinc/56/28/93/1031562893.db2.gz ALQXBZMHXOKNSX-GFCCVEGCSA-N 2 0 313.272 3.776 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000537398830 1031590097 /nfs/dbraw/zinc/59/00/97/1031590097.db2.gz MDBCBEHSYVGFHT-FUHIMQAGSA-N 2 0 315.505 3.813 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000777843494 1031636748 /nfs/dbraw/zinc/63/67/48/1031636748.db2.gz TZMJTMCWYPIZFT-CJNGLKHVSA-N 2 0 301.821 3.930 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)C1 ZINC000930000394 1031672755 /nfs/dbraw/zinc/67/27/55/1031672755.db2.gz OUVNCVCRNOOJBI-DZOHQFGASA-N 2 0 322.443 3.697 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000361153325 1031759794 /nfs/dbraw/zinc/75/97/94/1031759794.db2.gz JMHJMIRKUPGUHR-HXUWFJFHSA-N 2 0 316.489 3.784 20 0 DHADRP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208230 1031761032 /nfs/dbraw/zinc/76/10/32/1031761032.db2.gz FLILBNODFQUZQD-ZYHUDNBSSA-N 2 0 318.408 3.557 20 0 DHADRP Fc1ccccc1C1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CCC1 ZINC000873213775 1031761733 /nfs/dbraw/zinc/76/17/33/1031761733.db2.gz PGXCMEKLEPEXGY-UHFFFAOYSA-N 2 0 316.445 3.702 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000873224454 1031765217 /nfs/dbraw/zinc/76/52/17/1031765217.db2.gz BZCQJDLGDKXXTL-FGTMMUONSA-N 2 0 316.489 3.653 20 0 DHADRP Fc1cc(F)c(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc1F ZINC000873232607 1031766250 /nfs/dbraw/zinc/76/62/50/1031766250.db2.gz ISULHSIZXJSYSX-MRXNPFEDSA-N 2 0 312.379 3.506 20 0 DHADRP CC(C)(C)c1cnc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873231676 1031767591 /nfs/dbraw/zinc/76/75/91/1031767591.db2.gz RBQLMRPXBNHKNO-AWEZNQCLSA-N 2 0 321.534 3.843 20 0 DHADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232955 1031767708 /nfs/dbraw/zinc/76/77/08/1031767708.db2.gz UCQQPUBQWCDXDD-GOSISDBHSA-N 2 0 309.457 3.637 20 0 DHADRP Fc1cc(F)c(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cc1F ZINC000873232606 1031767724 /nfs/dbraw/zinc/76/77/24/1031767724.db2.gz ISULHSIZXJSYSX-INIZCTEOSA-N 2 0 312.379 3.506 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000873248078 1031772569 /nfs/dbraw/zinc/77/25/69/1031772569.db2.gz ZFJOIMBKVUMOMQ-HZSPNIEDSA-N 2 0 306.416 3.865 20 0 DHADRP CCC(CC)(C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(F)(F)F ZINC000873247828 1031773217 /nfs/dbraw/zinc/77/32/17/1031773217.db2.gz UXQSUXMFTKMNNY-ZFWWWQNUSA-N 2 0 316.411 3.903 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC000873251632 1031775675 /nfs/dbraw/zinc/77/56/75/1031775675.db2.gz LJOCTMFNVJVLPX-MWNCTCPHSA-N 2 0 310.363 3.866 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)C1 ZINC000873255580 1031775816 /nfs/dbraw/zinc/77/58/16/1031775816.db2.gz HOTUHXIWXYUHAE-DJSGYFEHSA-N 2 0 323.278 3.544 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c(OCCC)c1 ZINC000873258507 1031776473 /nfs/dbraw/zinc/77/64/73/1031776473.db2.gz QQXJABUQBOUFEW-BZUAXINKSA-N 2 0 320.477 3.652 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000873259579 1031776938 /nfs/dbraw/zinc/77/69/38/1031776938.db2.gz HQHFUKSPMWUJRN-GUSZCTEKSA-N 2 0 324.415 3.859 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000873258649 1031778009 /nfs/dbraw/zinc/77/80/09/1031778009.db2.gz TYBOKTOFCKJJLT-VCOSZWKGSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000873265447 1031780088 /nfs/dbraw/zinc/78/00/88/1031780088.db2.gz NCSGRMIWXXGGPM-NXEZZACHSA-N 2 0 317.296 3.549 20 0 DHADRP c1ccc(C([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000873263310 1031780528 /nfs/dbraw/zinc/78/05/28/1031780528.db2.gz HZOQDQKADKZSES-PDFPEKILSA-N 2 0 306.453 3.896 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C3CC[NH2+]CC3)oc21 ZINC000873269498 1031781294 /nfs/dbraw/zinc/78/12/94/1031781294.db2.gz QIRXTBFJUVJEOI-KGLIPLIRSA-N 2 0 316.445 3.870 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873267489 1031781748 /nfs/dbraw/zinc/78/17/48/1031781748.db2.gz DUMVPBJWQGUVES-NXEZZACHSA-N 2 0 316.276 3.614 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c2ccccc12 ZINC000873269482 1031781885 /nfs/dbraw/zinc/78/18/85/1031781885.db2.gz HUKGZDVPINYUQX-LSDHHAIUSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000873272713 1031785060 /nfs/dbraw/zinc/78/50/60/1031785060.db2.gz ASVJQXAIXSVDDU-XYPHTWIQSA-N 2 0 310.869 3.667 20 0 DHADRP C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296655 1031792901 /nfs/dbraw/zinc/79/29/01/1031792901.db2.gz KTSLWTRJEHUUEZ-NZVBXONLSA-N 2 0 321.346 3.896 20 0 DHADRP C[C@@H]1CC2(CC([NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)C2)CO1 ZINC000897778066 1031828978 /nfs/dbraw/zinc/82/89/78/1031828978.db2.gz DJZBWLIWQXXDSC-KMEHDXCISA-N 2 0 320.521 3.577 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000846111390 1031863750 /nfs/dbraw/zinc/86/37/50/1031863750.db2.gz SOUMQJGHWYKNGD-GFCCVEGCSA-N 2 0 307.309 3.813 20 0 DHADRP CC(C)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000361354883 1031883689 /nfs/dbraw/zinc/88/36/89/1031883689.db2.gz YKKGVTITNSXMDK-VQTJNVASSA-N 2 0 318.505 3.600 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000561497193 1031933535 /nfs/dbraw/zinc/93/35/35/1031933535.db2.gz WBGFSFDSMLMQNT-AZUAARDMSA-N 2 0 318.505 3.530 20 0 DHADRP C(CC1CCCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000361517247 1031967302 /nfs/dbraw/zinc/96/73/02/1031967302.db2.gz BAJJRRVKIVEYNW-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP Cc1ncccc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000898254659 1032004655 /nfs/dbraw/zinc/00/46/55/1032004655.db2.gz FLRJVLMGXJNTDU-JXFKEZNVSA-N 2 0 315.505 3.565 20 0 DHADRP CCCC[N@H+](Cc1ccc(N)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034793 1032016326 /nfs/dbraw/zinc/01/63/26/1032016326.db2.gz XHTRTONNICRHFH-UHFFFAOYSA-N 2 0 318.509 3.575 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000044515445 1032050392 /nfs/dbraw/zinc/05/03/92/1032050392.db2.gz RFHCPWBKPCTGRG-GFCCVEGCSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(OC(F)F)c1 ZINC000539219474 1033301020 /nfs/dbraw/zinc/30/10/20/1033301020.db2.gz NJLZSHMJSXDVDS-ZFWWWQNUSA-N 2 0 312.404 3.813 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccnn1C1CCC1 ZINC000924689082 1033307562 /nfs/dbraw/zinc/30/75/62/1033307562.db2.gz WKBDXNNCYOLYDI-IAGOWNOFSA-N 2 0 318.509 3.771 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172716440 1033324049 /nfs/dbraw/zinc/32/40/49/1033324049.db2.gz PZNHPZLUFMBORH-KDOFPFPSSA-N 2 0 306.881 3.648 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172716439 1033325062 /nfs/dbraw/zinc/32/50/62/1033325062.db2.gz PZNHPZLUFMBORH-KBXCAEBGSA-N 2 0 306.881 3.648 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000877496817 1033326231 /nfs/dbraw/zinc/32/62/31/1033326231.db2.gz ZHDDWIUCXKFVDT-UAGQMJEPSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(SCC(F)F)cc1 ZINC000643522215 1033338740 /nfs/dbraw/zinc/33/87/40/1033338740.db2.gz JTYWPEURGUXBSU-GXTWGEPZSA-N 2 0 314.445 3.837 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000539382823 1033342118 /nfs/dbraw/zinc/34/21/18/1033342118.db2.gz QSTUZIZGCFRMFX-UYAOXDASSA-N 2 0 300.490 3.673 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172711906 1033346622 /nfs/dbraw/zinc/34/66/22/1033346622.db2.gz JKMPKPNAPMLDGI-WDSOQIARSA-N 2 0 318.892 3.932 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000927030377 1033349312 /nfs/dbraw/zinc/34/93/12/1033349312.db2.gz IHEGGLHQKRFENY-HLLBOEOZSA-N 2 0 322.518 3.562 20 0 DHADRP C[C@@H]1[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000477929353 1033371156 /nfs/dbraw/zinc/37/11/56/1033371156.db2.gz RERZBQKWMQHSOL-QXAKKESOSA-N 2 0 300.490 3.890 20 0 DHADRP CN1CCC[C@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824951 1033387451 /nfs/dbraw/zinc/38/74/51/1033387451.db2.gz LUVOTKQQBBAWBP-KWJLTHHISA-N 2 0 312.501 3.814 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(CC3CCCC3)C1)CC2 ZINC001172827560 1033390144 /nfs/dbraw/zinc/39/01/44/1033390144.db2.gz CJVIJBISPGNXRI-RTWAWAEBSA-N 2 0 312.501 3.706 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@H](CCC[NH3+])C1)CC2 ZINC001172838381 1033408127 /nfs/dbraw/zinc/40/81/27/1033408127.db2.gz OQZKMQDPQRMLDU-YLJYHZDGSA-N 2 0 300.490 3.693 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)CC2 ZINC001172842599 1033412674 /nfs/dbraw/zinc/41/26/74/1033412674.db2.gz NQPNXLVCHOMXIX-SBHAEUEKSA-N 2 0 314.517 3.986 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000877685330 1033413371 /nfs/dbraw/zinc/41/33/71/1033413371.db2.gz VBRTUTZSLOJWMU-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877711311 1033421346 /nfs/dbraw/zinc/42/13/46/1033421346.db2.gz DCVSIFGWYANZCB-UHFFFAOYSA-N 2 0 321.852 3.834 20 0 DHADRP COCc1csc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000877767651 1033442215 /nfs/dbraw/zinc/44/22/15/1033442215.db2.gz RGUBTSAVZDNZRX-UHFFFAOYSA-N 2 0 324.534 3.694 20 0 DHADRP CO[C@@H]1CCC[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172927436 1033472419 /nfs/dbraw/zinc/47/24/19/1033472419.db2.gz FMBXQTDZRQNZMM-CADBVGFASA-N 2 0 308.510 3.706 20 0 DHADRP CO[C@@H]1CCC[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172927438 1033472488 /nfs/dbraw/zinc/47/24/88/1033472488.db2.gz FMBXQTDZRQNZMM-NCXUSEDFSA-N 2 0 308.510 3.706 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001172927774 1033472552 /nfs/dbraw/zinc/47/25/52/1033472552.db2.gz ZWJCJJGZYHXVKI-PMACEKPBSA-N 2 0 322.537 3.826 20 0 DHADRP CO[C@H]1CCC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931527 1033474926 /nfs/dbraw/zinc/47/49/26/1033474926.db2.gz VSFBQBRAARAJHF-WTGUMLROSA-N 2 0 316.489 3.716 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000152384372 1033518122 /nfs/dbraw/zinc/51/81/22/1033518122.db2.gz WHOUFECTGYEPEG-UONOGXRCSA-N 2 0 324.415 3.731 20 0 DHADRP CCCOC1CCC([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001173089854 1033520095 /nfs/dbraw/zinc/52/00/95/1033520095.db2.gz AQPIDCWXSFYRFB-YXWAVELNSA-N 2 0 310.526 3.682 20 0 DHADRP CCCOC1CCC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001173089852 1033521486 /nfs/dbraw/zinc/52/14/86/1033521486.db2.gz AQPIDCWXSFYRFB-LPOKXYRGSA-N 2 0 310.526 3.682 20 0 DHADRP CCCOC1CCC([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001173095646 1033526950 /nfs/dbraw/zinc/52/69/50/1033526950.db2.gz PTYAIAUWZSOEAT-UHFFFAOYSA-N 2 0 316.489 3.674 20 0 DHADRP CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000927071814 1033526971 /nfs/dbraw/zinc/52/69/71/1033526971.db2.gz VDRXRNYKEIENQI-HNAYVOBHSA-N 2 0 314.477 3.530 20 0 DHADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000877970494 1033535332 /nfs/dbraw/zinc/53/53/32/1033535332.db2.gz PSAMKMSHNXWAFO-PMACEKPBSA-N 2 0 316.489 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cn(C)c3ccccc23)CC1 ZINC001173104596 1033542587 /nfs/dbraw/zinc/54/25/87/1033542587.db2.gz JETSOOWRLPYCNT-UHFFFAOYSA-N 2 0 313.489 3.921 20 0 DHADRP CC[NH+](CC)C1CCC(N2CC[C@@H]([NH3+])c3ccccc32)CC1 ZINC001173104796 1033542923 /nfs/dbraw/zinc/54/29/23/1033542923.db2.gz VVLQESKENRBHCQ-LEOMRAHMSA-N 2 0 301.478 3.550 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC001173105770 1033543179 /nfs/dbraw/zinc/54/31/79/1033543179.db2.gz DXQFEGSDBPLBJJ-ACBHZAAOSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001173105458 1033543296 /nfs/dbraw/zinc/54/32/96/1033543296.db2.gz UFHIHUONYWEHHU-UVHRUJRTSA-N 3 0 323.569 3.597 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cnc(Cl)c(C)c2)CC1 ZINC001173104257 1033543516 /nfs/dbraw/zinc/54/35/16/1033543516.db2.gz LWJSDRWGSQUBSH-UHFFFAOYSA-N 2 0 309.885 3.786 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001173104407 1033543592 /nfs/dbraw/zinc/54/35/92/1033543592.db2.gz NRFRVRZWNADZMO-CBJHCWRLSA-N 3 0 323.569 3.773 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC001173109760 1033544896 /nfs/dbraw/zinc/54/48/96/1033544896.db2.gz GFEIWEWTUKCAOI-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001173109286 1033545027 /nfs/dbraw/zinc/54/50/27/1033545027.db2.gz GBEQAHPKVXMLAA-PJPHBNEVSA-N 2 0 300.437 3.617 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC001173107424 1033545375 /nfs/dbraw/zinc/54/53/75/1033545375.db2.gz QWQMTFFFFCTAMH-FAEJEUNOSA-N 2 0 304.478 3.566 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(CC(C)C)CCOCC2)CC1 ZINC001173107234 1033545801 /nfs/dbraw/zinc/54/58/01/1033545801.db2.gz ZBXXPQCFXLOYNA-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC001173113565 1033547738 /nfs/dbraw/zinc/54/77/38/1033547738.db2.gz VABCKZZDPRJVPO-UHFFFAOYSA-N 2 0 304.453 3.837 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3cccc(C)n3)CC2)CC1 ZINC001173111178 1033548805 /nfs/dbraw/zinc/54/88/05/1033548805.db2.gz YLOUEVOQIUTJJA-UHFFFAOYSA-N 2 0 315.505 3.664 20 0 DHADRP COc1cccc2c1C[C@@H]([NH2+]CC[PH+](C(C)C)C(C)C)CO2 ZINC001173160202 1033574769 /nfs/dbraw/zinc/57/47/69/1033574769.db2.gz KEFQMVNDQSWBGT-OAHLLOKOSA-N 2 0 323.417 3.887 20 0 DHADRP CC1(C)C[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000878119828 1033585392 /nfs/dbraw/zinc/58/53/92/1033585392.db2.gz CBYVIHFZUPNVFQ-IRXDYDNUSA-N 2 0 308.510 3.530 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173200076 1033590699 /nfs/dbraw/zinc/59/06/99/1033590699.db2.gz KQPFSHZQFUSOLR-UHFFFAOYSA-N 2 0 316.489 3.839 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)C1CCC(Oc2ccccc2)CC1 ZINC001173203981 1033595414 /nfs/dbraw/zinc/59/54/14/1033595414.db2.gz HZKPBOLBQVZBNC-UHFFFAOYSA-N 2 0 316.489 3.650 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC001173253221 1033625197 /nfs/dbraw/zinc/62/51/97/1033625197.db2.gz REPAZASBCPHLHI-ABSDTBQOSA-N 2 0 302.506 3.888 20 0 DHADRP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(OC)cc3)CC2)C1 ZINC001173268167 1033637386 /nfs/dbraw/zinc/63/73/86/1033637386.db2.gz AKVZRRPANAPZDH-AEFFLSMTSA-N 2 0 316.489 3.610 20 0 DHADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC000878274069 1033642761 /nfs/dbraw/zinc/64/27/61/1033642761.db2.gz IAGZRJSLBSGJMC-SFHVURJKSA-N 2 0 323.569 3.549 20 0 DHADRP CC[C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173273055 1033643876 /nfs/dbraw/zinc/64/38/76/1033643876.db2.gz XTAUZRVOHTXWBJ-CAMMJAKZSA-N 2 0 301.478 3.732 20 0 DHADRP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C(C)(C)O1 ZINC000878287129 1033649211 /nfs/dbraw/zinc/64/92/11/1033649211.db2.gz XCHWQLUZFUXTCY-NUJGCVRESA-N 2 0 320.521 3.529 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC001173242835 1033649482 /nfs/dbraw/zinc/64/94/82/1033649482.db2.gz WRXVANBJBGUIFH-KRWDZBQOSA-N 2 0 302.506 3.890 20 0 DHADRP CC[C@H]1CC[C@@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)C1 ZINC001173277959 1033669144 /nfs/dbraw/zinc/66/91/44/1033669144.db2.gz WDALEPAQTVWQML-WQFBUZOZSA-N 2 0 320.461 3.701 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878511682 1033730531 /nfs/dbraw/zinc/73/05/31/1033730531.db2.gz GGCKUDJKVCQAHK-VAMGGRTRSA-N 2 0 316.489 3.713 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878511681 1033731506 /nfs/dbraw/zinc/73/15/06/1033731506.db2.gz GGCKUDJKVCQAHK-HSALFYBXSA-N 2 0 316.489 3.713 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCSCC[NH3+] ZINC001173553486 1033769261 /nfs/dbraw/zinc/76/92/61/1033769261.db2.gz YOGBXJVOWMGBGY-NSHDSACASA-N 2 0 321.317 3.596 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(CC)CC ZINC000479545028 1033803410 /nfs/dbraw/zinc/80/34/10/1033803410.db2.gz OHAPZFJEUWHHSH-ZGUYJTEBSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479553794 1033810060 /nfs/dbraw/zinc/81/00/60/1033810060.db2.gz KPJSOEBZGOSMGB-MHJFOBGBSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000479554656 1033811220 /nfs/dbraw/zinc/81/12/20/1033811220.db2.gz MKGUKJDKTAOOMQ-IZBJGVDFSA-N 2 0 300.490 3.923 20 0 DHADRP CCN(CC)CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173683842 1033818894 /nfs/dbraw/zinc/81/88/94/1033818894.db2.gz IHYDDHVAHNKXEM-UHFFFAOYSA-N 2 0 300.490 3.745 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000862352726 1033825117 /nfs/dbraw/zinc/82/51/17/1033825117.db2.gz LDFXEWNNSUXOFI-MAUKXSAKSA-N 2 0 322.443 3.922 20 0 DHADRP CC[N@H+]1C[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173690896 1033837299 /nfs/dbraw/zinc/83/72/99/1033837299.db2.gz CJLQDPXJFSZQJV-SYURHXKASA-N 2 0 324.512 3.697 20 0 DHADRP CC1(C)C[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000879203189 1033951006 /nfs/dbraw/zinc/95/10/06/1033951006.db2.gz JGIUZJYBFKWIES-MRXNPFEDSA-N 2 0 308.510 3.530 20 0 DHADRP CC(C)C[N@@H+](Cc1ncc(C(C)C)o1)CC1CC[NH+](C)CC1 ZINC000879702464 1034093408 /nfs/dbraw/zinc/09/34/08/1034093408.db2.gz LZQNVXRIZZHHLA-UHFFFAOYSA-N 2 0 307.482 3.598 20 0 DHADRP CC(C)c1ccccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001174046628 1034099573 /nfs/dbraw/zinc/09/95/73/1034099573.db2.gz AUTIGASEYHJKKC-UHFFFAOYSA-N 2 0 310.445 3.700 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000879732340 1034102210 /nfs/dbraw/zinc/10/22/10/1034102210.db2.gz RIYSOEDJCYJLFF-MSOLQXFVSA-N 2 0 316.489 3.749 20 0 DHADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000554347055 1034105307 /nfs/dbraw/zinc/10/53/07/1034105307.db2.gz GCFCJDDIHHAXTK-ROUUACIJSA-N 2 0 301.478 3.712 20 0 DHADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480174734 1034113695 /nfs/dbraw/zinc/11/36/95/1034113695.db2.gz BBFBMFWPGZZBEY-SOUVJXGZSA-N 2 0 324.431 3.587 20 0 DHADRP [NH3+]CCCCCCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000863546599 1034126612 /nfs/dbraw/zinc/12/66/12/1034126612.db2.gz GUHYDGZJRDGGHH-UHFFFAOYSA-N 2 0 322.468 3.716 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC[N@@H+]1C ZINC000179554312 1034315877 /nfs/dbraw/zinc/31/58/77/1034315877.db2.gz QQSKVVVBCHNRFE-TZMCWYRMSA-N 2 0 310.844 3.583 20 0 DHADRP C[C@H](CC[NH+]1CCC(C)([NH+]2CCC2)CC1)OCc1ccccc1 ZINC000880473739 1034343158 /nfs/dbraw/zinc/34/31/58/1034343158.db2.gz MPGGIJPOYWGKOK-GOSISDBHSA-N 2 0 316.489 3.542 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000480618786 1034351424 /nfs/dbraw/zinc/35/14/24/1034351424.db2.gz WRVMKXIZNSFUQI-QGZVFWFLSA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2nc3ccccc3s2)CC1 ZINC000554877457 1034386628 /nfs/dbraw/zinc/38/66/28/1034386628.db2.gz KTCJLBMJXOXBMF-UHFFFAOYSA-N 2 0 317.502 3.691 20 0 DHADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000554890545 1034392115 /nfs/dbraw/zinc/39/21/15/1034392115.db2.gz PSUIEFNBEHTRBG-UZLBHIALSA-N 2 0 309.457 3.521 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000480693879 1034396918 /nfs/dbraw/zinc/39/69/18/1034396918.db2.gz DFHYGPMSFAEWFR-ZJPYXAASSA-N 2 0 318.505 3.678 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3([C@@H]4CCCCO4)CC3)CC2)C1 ZINC000927161723 1034398406 /nfs/dbraw/zinc/39/84/06/1034398406.db2.gz QZNRSZTYOPXLLW-QRQLOZEOSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480698862 1034409502 /nfs/dbraw/zinc/40/95/02/1034409502.db2.gz NPPJNXAILRXMAL-QWQRMKEZSA-N 2 0 310.432 3.606 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000184341738 1034465148 /nfs/dbraw/zinc/46/51/48/1034465148.db2.gz QWSOOHTVLBKQGO-UYAOXDASSA-N 2 0 323.484 3.605 20 0 DHADRP COCCCCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184741625 1034499610 /nfs/dbraw/zinc/49/96/10/1034499610.db2.gz HRSAPRXWSQWVDE-ROUUACIJSA-N 2 0 318.505 3.549 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000480908627 1034501611 /nfs/dbraw/zinc/50/16/11/1034501611.db2.gz LHBHAXNXLIXIJT-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CCc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc2[nH+]1 ZINC000555206002 1034560440 /nfs/dbraw/zinc/56/04/40/1034560440.db2.gz RJQGNOZUJMOQTI-HXUWFJFHSA-N 2 0 309.457 3.719 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000481036772 1034566550 /nfs/dbraw/zinc/56/65/50/1034566550.db2.gz LHGYBANKGQTITJ-QUCCMNQESA-N 2 0 300.490 3.638 20 0 DHADRP C[C@@H](NCc1c(F)cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769273 1034570842 /nfs/dbraw/zinc/57/08/42/1034570842.db2.gz TWQCQJZEYYKTBG-ZIAGYGMSSA-N 2 0 308.416 3.707 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000186838600 1034667208 /nfs/dbraw/zinc/66/72/08/1034667208.db2.gz SRXFNZMLYHERSC-KBMXLJTQSA-N 2 0 314.395 3.652 20 0 DHADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162865463 1034695378 /nfs/dbraw/zinc/69/53/78/1034695378.db2.gz MNJCYKSHZZIBOH-FGTMMUONSA-N 2 0 304.478 3.535 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187792593 1034733864 /nfs/dbraw/zinc/73/38/64/1034733864.db2.gz XTFHGEKTDQJLDZ-HNNXBMFYSA-N 2 0 324.896 3.534 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc2c(s1)CCC2 ZINC000481310078 1034735240 /nfs/dbraw/zinc/73/52/40/1034735240.db2.gz PLXKPHNLOHKRJY-CYBMUJFWSA-N 2 0 304.503 3.762 20 0 DHADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192516832 1034807920 /nfs/dbraw/zinc/80/79/20/1034807920.db2.gz ZUKAANXMRCTONE-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1ccc(SCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000555596758 1034833714 /nfs/dbraw/zinc/83/37/14/1034833714.db2.gz DEMACLXCGYSZHW-IBGZPJMESA-N 2 0 318.530 3.813 20 0 DHADRP Clc1csc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000193201224 1034835071 /nfs/dbraw/zinc/83/50/71/1034835071.db2.gz NIVZFILXQJSIDI-UHFFFAOYSA-N 2 0 321.877 3.803 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC001175211524 1034868435 /nfs/dbraw/zinc/86/84/35/1034868435.db2.gz RGZLYHIISFNVAO-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CCC3)O2)CC1 ZINC001175351901 1034945914 /nfs/dbraw/zinc/94/59/14/1034945914.db2.gz MVSZAAOMPODHJO-OALUTQOASA-N 2 0 320.521 3.675 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[NH+]1CCCC1 ZINC000481910548 1035032771 /nfs/dbraw/zinc/03/27/71/1035032771.db2.gz AVPTZGOAHKRTIU-CQSZACIVSA-N 2 0 314.395 3.712 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000481943095 1035035030 /nfs/dbraw/zinc/03/50/30/1035035030.db2.gz FBTZLVAWRGYYLM-NHYWBVRUSA-N 2 0 316.367 3.502 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCC[NH+](C)C)cc1F ZINC000481953392 1035037749 /nfs/dbraw/zinc/03/77/49/1035037749.db2.gz MHONOOHGWQBKRQ-WMZOPIPTSA-N 2 0 322.468 3.792 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000482014525 1035043495 /nfs/dbraw/zinc/04/34/95/1035043495.db2.gz GRUILQNJTONWJE-PXNSSMCTSA-N 2 0 300.490 3.529 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000482117272 1035057851 /nfs/dbraw/zinc/05/78/51/1035057851.db2.gz CJABSFDGFASKLN-IRXDYDNUSA-N 2 0 324.534 3.611 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000482330905 1035085375 /nfs/dbraw/zinc/08/53/75/1035085375.db2.gz JDVPLIUTJIEGQF-BIENJYKASA-N 2 0 313.489 3.911 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000482501890 1035123231 /nfs/dbraw/zinc/12/32/31/1035123231.db2.gz CKJHABLFPSKHSD-HNNXBMFYSA-N 2 0 321.484 3.664 20 0 DHADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000482618784 1035148435 /nfs/dbraw/zinc/14/84/35/1035148435.db2.gz IAEZNOWCZXWVTH-HDICACEKSA-N 2 0 321.553 3.636 20 0 DHADRP COc1cc(Cl)ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000482809445 1035183683 /nfs/dbraw/zinc/18/36/83/1035183683.db2.gz CSPNKYKCEMWYDP-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000483188235 1035240088 /nfs/dbraw/zinc/24/00/88/1035240088.db2.gz ARWZAZXLDXPLKR-KDOFPFPSSA-N 2 0 304.478 3.734 20 0 DHADRP COC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CCCC1 ZINC000483299428 1035254863 /nfs/dbraw/zinc/25/48/63/1035254863.db2.gz UYCNRIFYFPMGPL-MSOLQXFVSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCO[C@@H](C)C3)cc2)C1 ZINC001177257256 1035360149 /nfs/dbraw/zinc/36/01/49/1035360149.db2.gz UATUOJFLEWGSJD-FUHIMQAGSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(F)ccc1N(C)C ZINC001177299209 1035360684 /nfs/dbraw/zinc/36/06/84/1035360684.db2.gz LUFOSIBHTJXBKH-MRXNPFEDSA-N 2 0 321.484 3.636 20 0 DHADRP Fc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1C(F)F ZINC000904296946 1035396352 /nfs/dbraw/zinc/39/63/52/1035396352.db2.gz DBGFTCJIUZETQV-XJKSGUPXSA-N 2 0 312.379 3.727 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000904327144 1035400688 /nfs/dbraw/zinc/40/06/88/1035400688.db2.gz ZBOBERVQWJGVGW-XBXGTLAGSA-N 2 0 310.894 3.634 20 0 DHADRP COc1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](c1ccccc1)C2 ZINC000904326744 1035400846 /nfs/dbraw/zinc/40/08/46/1035400846.db2.gz RODXWXWRZDRKCF-DLVCFXQMSA-N 2 0 322.452 3.532 20 0 DHADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1C(F)F ZINC000904351308 1035403041 /nfs/dbraw/zinc/40/30/41/1035403041.db2.gz XEOXXHIUTBHVMM-ZIAGYGMSSA-N 2 0 312.379 3.585 20 0 DHADRP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206327912 1035429065 /nfs/dbraw/zinc/42/90/65/1035429065.db2.gz ZXNKQZMODSPFLL-LJQANCHMSA-N 2 0 304.478 3.815 20 0 DHADRP C[C@@H]1SCC[C@@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001179086883 1035464604 /nfs/dbraw/zinc/46/46/04/1035464604.db2.gz WIGQUYVETDELLW-RDJZCZTQSA-N 2 0 306.519 3.628 20 0 DHADRP C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001179147700 1035466540 /nfs/dbraw/zinc/46/65/40/1035466540.db2.gz JEKWAGWXYUQORN-SXLOBPIMSA-N 2 0 322.537 3.682 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC001179969424 1035565357 /nfs/dbraw/zinc/56/53/57/1035565357.db2.gz DGVBEDJEYBQZGR-UHFFFAOYSA-N 2 0 304.478 3.508 20 0 DHADRP CC[C@@H](C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1)c1ccccc1 ZINC001180081969 1035587976 /nfs/dbraw/zinc/58/79/76/1035587976.db2.gz PBZBLCTVTAPGPW-AZUAARDMSA-N 2 0 318.505 3.613 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000569000456 1035670227 /nfs/dbraw/zinc/67/02/27/1035670227.db2.gz JCVSJUJHRSIJLO-HUUCEWRRSA-N 2 0 323.278 3.688 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cnn1C(C)(C)C ZINC000191293509 1035678124 /nfs/dbraw/zinc/67/81/24/1035678124.db2.gz HEXZAJCQGUQCMZ-YOEHRIQHSA-N 2 0 322.541 3.964 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(CO)c1 ZINC000539563162 1035781566 /nfs/dbraw/zinc/78/15/66/1035781566.db2.gz NPBGVCOKUVGKBO-LSTHTHJFSA-N 2 0 318.505 3.730 20 0 DHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000192795861 1035818642 /nfs/dbraw/zinc/81/86/42/1035818642.db2.gz YDIQQSBQYHRRBN-RTBURBONSA-N 2 0 323.569 3.597 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000539709626 1035832181 /nfs/dbraw/zinc/83/21/81/1035832181.db2.gz JOIJXAOWOOOTNQ-UHFFFAOYSA-N 2 0 322.456 3.693 20 0 DHADRP C[NH+](C)CC[C@H](NCc1cnc(-c2ccco2)s1)C(C)(C)C ZINC000193110249 1035835317 /nfs/dbraw/zinc/83/53/17/1035835317.db2.gz SAGMCIWGPPHRGM-HNNXBMFYSA-N 2 0 321.490 3.859 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)OC ZINC001181315987 1035889355 /nfs/dbraw/zinc/88/93/55/1035889355.db2.gz TUDJVOLCCZKEBP-IHPCNDPISA-N 2 0 318.505 3.549 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4s3)CC[C@H]21 ZINC000539898630 1035925777 /nfs/dbraw/zinc/92/57/77/1035925777.db2.gz YWJLCANYSMKUCT-NVXWUHKLSA-N 2 0 300.471 3.817 20 0 DHADRP COc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000195632267 1035934612 /nfs/dbraw/zinc/93/46/12/1035934612.db2.gz DELMTXRKZKXWST-LJQANCHMSA-N 2 0 302.462 3.708 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC001194504643 1035951822 /nfs/dbraw/zinc/95/18/22/1035951822.db2.gz ASDQKESLVPSAAJ-MOPGFXCFSA-N 2 0 302.437 3.621 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cscn1 ZINC000540144875 1035981016 /nfs/dbraw/zinc/98/10/16/1035981016.db2.gz QLKSORGWMNYRAF-QQFBHYJXSA-N 2 0 307.507 3.837 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H](C)C1CCCCC1 ZINC000540158370 1035983832 /nfs/dbraw/zinc/98/38/32/1035983832.db2.gz WVQVWCHEEQMOKF-GJJHYRHESA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540153901 1035990327 /nfs/dbraw/zinc/99/03/27/1035990327.db2.gz ROTHPZCZUIOGLP-NVXWUHKLSA-N 2 0 304.478 3.856 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000540171291 1035992691 /nfs/dbraw/zinc/99/26/91/1035992691.db2.gz QHUCHUSHNSMBOB-JYJNAYRXSA-N 2 0 324.534 3.851 20 0 DHADRP C[C@]1(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCS1 ZINC000327641104 1036042663 /nfs/dbraw/zinc/04/26/63/1036042663.db2.gz RGVHXBPTNUJSSW-RTBURBONSA-N 2 0 318.530 3.774 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000467390251 1036055667 /nfs/dbraw/zinc/05/56/67/1036055667.db2.gz VFDHTRMLNPANSA-WMLDXEAASA-N 2 0 324.896 3.949 20 0 DHADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001203802329 1036091039 /nfs/dbraw/zinc/09/10/39/1036091039.db2.gz NPMGGTHYBSOVRG-UHFFFAOYSA-N 2 0 313.272 3.911 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001182252077 1036151643 /nfs/dbraw/zinc/15/16/43/1036151643.db2.gz WPXBYQVOMPIYDB-UHFFFAOYSA-N 2 0 317.795 3.849 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000495061906 1036217003 /nfs/dbraw/zinc/21/70/03/1036217003.db2.gz UXKPQQSQYCLQHJ-GNVJSZRZSA-N 2 0 300.490 3.921 20 0 DHADRP CC[NH+]1CCC(C[N@H+](C)[C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 ZINC001182325548 1036226455 /nfs/dbraw/zinc/22/64/55/1036226455.db2.gz AHISRGUZXUCROQ-WGSAOQKQSA-N 2 0 316.489 3.605 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCc3ccccc3C2)CC1 ZINC000541058699 1036227389 /nfs/dbraw/zinc/22/73/89/1036227389.db2.gz YYUMULJIEWKFDC-KRWDZBQOSA-N 2 0 300.490 3.596 20 0 DHADRP CCC(CC)(CC)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000541090730 1036234467 /nfs/dbraw/zinc/23/44/67/1036234467.db2.gz WDQFRHREVVXPKO-KDURUIRLSA-N 2 0 323.569 3.693 20 0 DHADRP FC1(F)CC12CCC([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000668634479 1036302370 /nfs/dbraw/zinc/30/23/70/1036302370.db2.gz KCCLTHCAZSNMHA-UHFFFAOYSA-N 2 0 321.415 3.608 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000774494031 1036359050 /nfs/dbraw/zinc/35/90/50/1036359050.db2.gz BXMNMKZOWMHNBV-OAHLLOKOSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486696760 1036362097 /nfs/dbraw/zinc/36/20/97/1036362097.db2.gz SJBUYKLZGOIDFL-HNNXBMFYSA-N 2 0 317.452 3.909 20 0 DHADRP Cn1cncc1CCC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653761874 1036365746 /nfs/dbraw/zinc/36/57/46/1036365746.db2.gz LOMXWCXMLWWQKA-IBGZPJMESA-N 2 0 309.457 3.622 20 0 DHADRP C[C@H]([NH2+]CCc1cccc(F)c1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599140 1036375186 /nfs/dbraw/zinc/37/51/86/1036375186.db2.gz IELOYBUGIRXFNV-GOEBONIOSA-N 2 0 322.443 3.750 20 0 DHADRP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001182545429 1036383441 /nfs/dbraw/zinc/38/34/41/1036383441.db2.gz WHHOXGHWJGQBPT-IYWMVGAKSA-N 2 0 300.490 3.890 20 0 DHADRP COc1ccccc1C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000541633809 1036390447 /nfs/dbraw/zinc/39/04/47/1036390447.db2.gz WBUXTSAFAONISX-MOPGFXCFSA-N 2 0 318.505 3.726 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)C1 ZINC000486952106 1036472756 /nfs/dbraw/zinc/47/27/56/1036472756.db2.gz XFSQTVKSWMSMQW-QFBILLFUSA-N 2 0 318.530 3.761 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)C1 ZINC000486935492 1036476485 /nfs/dbraw/zinc/47/64/85/1036476485.db2.gz JHZPNCODPMQCGA-SJORKVTESA-N 2 0 318.530 3.761 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC1(C)C ZINC000486972392 1036503642 /nfs/dbraw/zinc/50/36/42/1036503642.db2.gz PABPAHVEGZHUOL-WMLDXEAASA-N 2 0 306.519 3.984 20 0 DHADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001183065462 1036517611 /nfs/dbraw/zinc/51/76/11/1036517611.db2.gz LOQNMYLOSUOGHU-YJBOKZPZSA-N 2 0 308.897 3.935 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC001183123971 1036520200 /nfs/dbraw/zinc/52/02/00/1036520200.db2.gz OSVNESILUQFHSD-NXHRZFHOSA-N 2 0 310.551 3.905 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000066970370 1036527080 /nfs/dbraw/zinc/52/70/80/1036527080.db2.gz PWNSOKHDDUAISD-UHFFFAOYSA-N 2 0 322.836 3.553 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000495407948 1036614583 /nfs/dbraw/zinc/61/45/83/1036614583.db2.gz KJBCQMRYEDPIRT-HKUYNNGSSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H]([NH2+]C/C=C\c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000495433000 1036634752 /nfs/dbraw/zinc/63/47/52/1036634752.db2.gz MJUHEWISNHZFOA-YFWYWMRJSA-N 2 0 324.468 3.991 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC001196942587 1036655725 /nfs/dbraw/zinc/65/57/25/1036655725.db2.gz FTSBNWHSLGNWDP-SLFFLAALSA-N 2 0 320.521 3.530 20 0 DHADRP C[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000668782405 1036682426 /nfs/dbraw/zinc/68/24/26/1036682426.db2.gz CVPZQVSPBWCLCR-KRWDZBQOSA-N 2 0 300.490 3.577 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001184053642 1036735187 /nfs/dbraw/zinc/73/51/87/1036735187.db2.gz BZLYAGOLVXNDTQ-GEALJGNFSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134895 1036749476 /nfs/dbraw/zinc/74/94/76/1036749476.db2.gz JMEPLTJCZVPXTJ-FUHWJXTLSA-N 2 0 300.490 3.674 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCC(C)(C)O2)CC1 ZINC001184178116 1036751058 /nfs/dbraw/zinc/75/10/58/1036751058.db2.gz NHLBGTYUDKHIHB-NZSAHSFTSA-N 2 0 322.537 3.967 20 0 DHADRP C[N@H+](CCCn1ccnc1)CCc1cc(Cl)ccc1Cl ZINC000488121783 1036867182 /nfs/dbraw/zinc/86/71/82/1036867182.db2.gz FTTMNEUEKBGPBU-UHFFFAOYSA-N 2 0 312.244 3.755 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205314599 1036959017 /nfs/dbraw/zinc/95/90/17/1036959017.db2.gz BTLYKHIJTDTDMH-WCQYABFASA-N 2 0 318.408 3.715 20 0 DHADRP CC(C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000236711658 1036973674 /nfs/dbraw/zinc/97/36/74/1036973674.db2.gz UBTDQYHJKGMIJK-UHFFFAOYSA-N 2 0 323.484 3.507 20 0 DHADRP CC1(C)CC([NH2+]Cc2c[nH]nc2-c2cccs2)CC(C)(C)[NH2+]1 ZINC000236738555 1036974325 /nfs/dbraw/zinc/97/43/25/1036974325.db2.gz KPKJSNSRQMBHRO-UHFFFAOYSA-N 2 0 318.490 3.537 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC000488418239 1037002220 /nfs/dbraw/zinc/00/22/20/1037002220.db2.gz SNWTWOVAKDULEG-SOUVJXGZSA-N 2 0 300.556 3.863 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCc3ccccc3C2)CS1 ZINC000488431115 1037013884 /nfs/dbraw/zinc/01/38/84/1037013884.db2.gz FXEIGJVZNHAFFN-OALUTQOASA-N 2 0 318.530 3.555 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CS1 ZINC000488431121 1037015544 /nfs/dbraw/zinc/01/55/44/1037015544.db2.gz FXEIGJVZNHAFFN-RTBURBONSA-N 2 0 318.530 3.555 20 0 DHADRP CCOc1ccccc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000488432819 1037020278 /nfs/dbraw/zinc/02/02/78/1037020278.db2.gz FWYZMTSREUXPMF-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP CC1([NH+]2CCCC2)CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168446474 1037045299 /nfs/dbraw/zinc/04/52/99/1037045299.db2.gz QVFIVSDTUWPYMB-IBGZPJMESA-N 2 0 316.464 3.633 20 0 DHADRP CC(C)CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000315997052 1037066428 /nfs/dbraw/zinc/06/64/28/1037066428.db2.gz ZRYAJOHTRIGUFU-IRXDYDNUSA-N 2 0 310.526 3.679 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000929790027 1037071519 /nfs/dbraw/zinc/07/15/19/1037071519.db2.gz HBCNYZLTJKZRIU-ZWKOTPCHSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1C ZINC000488569028 1037077708 /nfs/dbraw/zinc/07/77/08/1037077708.db2.gz NBKSNIBICVAJKY-QFIPXVFZSA-N 2 0 322.496 3.958 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[N@@H+]([C@@H]4C[C@H]4C)C[C@H](C)C3)c2c1 ZINC000488747201 1037127084 /nfs/dbraw/zinc/12/70/84/1037127084.db2.gz ITIBSROSDVGLLK-JXXFODFXSA-N 2 0 309.457 3.710 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC001198952709 1037168168 /nfs/dbraw/zinc/16/81/68/1037168168.db2.gz UYRJEQZTWFTVJC-UHFFFAOYSA-N 2 0 311.882 3.627 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000309949320 1037195550 /nfs/dbraw/zinc/19/55/50/1037195550.db2.gz FIAPBCZYMWFPDJ-RBUKOAKNSA-N 2 0 318.530 3.774 20 0 DHADRP CC(C)C[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310032804 1037206032 /nfs/dbraw/zinc/20/60/32/1037206032.db2.gz YOHYSXUSLRHIOO-YSIASYRMSA-N 2 0 300.490 3.875 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000322854246 1037251172 /nfs/dbraw/zinc/25/11/72/1037251172.db2.gz QXMLWHCEYAMXQO-ZRGWGRIASA-N 2 0 309.457 3.762 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000774965189 1037298007 /nfs/dbraw/zinc/29/80/07/1037298007.db2.gz YEQQMMONZNOZOJ-FXAWDEMLSA-N 2 0 314.473 3.843 20 0 DHADRP CCCCCCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205095382 1037300139 /nfs/dbraw/zinc/30/01/39/1037300139.db2.gz XKZYAVASMYLOLZ-SFHVURJKSA-N 2 0 304.478 3.959 20 0 DHADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CCc1ccc(Cl)cc1Cl ZINC001205903532 1037482917 /nfs/dbraw/zinc/48/29/17/1037482917.db2.gz QBTHWKLVZANMFQ-AAEUAGOBSA-N 2 0 301.261 3.595 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCC[NH+](C)C)CCCO2 ZINC000489573638 1037490690 /nfs/dbraw/zinc/49/06/90/1037490690.db2.gz PPHBHUIMSRGGIA-MRXNPFEDSA-N 2 0 310.869 3.794 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000397798166 1037528267 /nfs/dbraw/zinc/52/82/67/1037528267.db2.gz FEKXQPFGZZKGRW-QFHJOOASSA-N 2 0 300.490 3.921 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000493888569 1037583988 /nfs/dbraw/zinc/58/39/88/1037583988.db2.gz OAXBYRLGNJXEIT-GGPKGHCWSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000398052564 1037587439 /nfs/dbraw/zinc/58/74/39/1037587439.db2.gz YHXGBGSOZZSPFV-NXHRZFHOSA-N 2 0 322.443 3.922 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000493893401 1037589033 /nfs/dbraw/zinc/58/90/33/1037589033.db2.gz FUKHORSHMKHTIG-UYAOXDASSA-N 2 0 318.505 3.864 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000493976596 1037602384 /nfs/dbraw/zinc/60/23/84/1037602384.db2.gz JUBSCJKHDUZVKY-OXQOHEQNSA-N 2 0 312.457 3.614 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C12CCC2 ZINC000776162627 1037626763 /nfs/dbraw/zinc/62/67/63/1037626763.db2.gz KFZZVAXGIZGTKI-BTRQGYIVSA-N 2 0 320.521 3.721 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000776163531 1037632814 /nfs/dbraw/zinc/63/28/14/1037632814.db2.gz SWNWJOIUUQWEFL-DUBPFDJUSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CC1CCCCC1 ZINC001201417756 1037659041 /nfs/dbraw/zinc/65/90/41/1037659041.db2.gz ZQZQEOYTLRYCKX-FFZOFVMBSA-N 2 0 322.537 3.560 20 0 DHADRP CCCCO[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000776167352 1037668234 /nfs/dbraw/zinc/66/82/34/1037668234.db2.gz BMCQQEXGNLFNQH-HIEASXQVSA-N 2 0 310.526 3.680 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C12CCCCC2 ZINC000776171617 1037676359 /nfs/dbraw/zinc/67/63/59/1037676359.db2.gz UNGGRZRHFZUSQL-CSODTCANSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@@H](C)C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001201503116 1037721660 /nfs/dbraw/zinc/72/16/60/1037721660.db2.gz NUJPPJBUKBBAIV-QGZVFWFLSA-N 2 0 315.505 3.804 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CCCC[NH+](C)C)c1ccco1 ZINC000924855501 1037762657 /nfs/dbraw/zinc/76/26/57/1037762657.db2.gz RBSXOQFELWTFKS-SFHVURJKSA-N 2 0 300.446 3.803 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123424322 1037769028 /nfs/dbraw/zinc/76/90/28/1037769028.db2.gz ZIVJQYXHXIQWGD-QRVBRYPASA-N 2 0 318.505 3.515 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001201568155 1037783203 /nfs/dbraw/zinc/78/32/03/1037783203.db2.gz OLNBSAKKSXQDHM-IBGZPJMESA-N 2 0 311.558 3.552 20 0 DHADRP Clc1ccc(C2CC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000037648917 1037835201 /nfs/dbraw/zinc/83/52/01/1037835201.db2.gz PMIGTHWDWCYGBN-KTAKPFMOSA-N 2 0 304.865 3.660 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000123586435 1037856152 /nfs/dbraw/zinc/85/61/52/1037856152.db2.gz ASYXJLDVJDNVRW-DYESRHJHSA-N 2 0 308.469 3.968 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC001201928921 1037929536 /nfs/dbraw/zinc/92/95/36/1037929536.db2.gz IANZFMAGBAJYBL-KRWDZBQOSA-N 2 0 318.505 3.728 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC001201947007 1037948383 /nfs/dbraw/zinc/94/83/83/1037948383.db2.gz OSKLJATXBBKQEW-FUHWJXTLSA-N 2 0 316.489 3.746 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187645070 1037984413 /nfs/dbraw/zinc/98/44/13/1037984413.db2.gz FAGLPXFUFBUPQS-ZIAGYGMSSA-N 2 0 305.853 3.874 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126420846 1038067483 /nfs/dbraw/zinc/06/74/83/1038067483.db2.gz BNVXJYCLBNENJX-RDTXWAMCSA-N 2 0 308.897 3.907 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000126681438 1038087831 /nfs/dbraw/zinc/08/78/31/1038087831.db2.gz KDEVJAJLDQBIMB-YOEHRIQHSA-N 2 0 322.880 3.794 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)s2)cc1 ZINC000571226404 1038113327 /nfs/dbraw/zinc/11/33/27/1038113327.db2.gz OOEVMKHGYYXNIF-GJZGRUSLSA-N 2 0 316.470 3.783 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000571567412 1038171257 /nfs/dbraw/zinc/17/12/57/1038171257.db2.gz JXPFEXVTLKJURA-LRYGQEGESA-N 2 0 316.489 3.738 20 0 DHADRP COc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168380429 1038190879 /nfs/dbraw/zinc/19/08/79/1038190879.db2.gz SKYOOUWPVJOMCR-HXUWFJFHSA-N 2 0 314.473 3.707 20 0 DHADRP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCCO1 ZINC001190731469 1038373766 /nfs/dbraw/zinc/37/37/66/1038373766.db2.gz PSLNPWCBCLYLKF-FQEVSTJZSA-N 2 0 316.489 3.673 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCC2CC2)ccc1OC ZINC000775413252 1038390713 /nfs/dbraw/zinc/39/07/13/1038390713.db2.gz ZHPNBJWWTXXTII-OAHLLOKOSA-N 2 0 304.478 3.988 20 0 DHADRP C[N@H+](C1CC[NH+](CC2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001168393107 1038531392 /nfs/dbraw/zinc/53/13/92/1038531392.db2.gz VMGTVEGZJFJPKF-UHFFFAOYSA-N 2 0 302.506 3.761 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](CCCC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629653420 1038612849 /nfs/dbraw/zinc/61/28/49/1038612849.db2.gz HAHQIEOCEAABDW-GJZGRUSLSA-N 2 0 306.416 3.806 20 0 DHADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629653213 1038612955 /nfs/dbraw/zinc/61/29/55/1038612955.db2.gz CZDLDJGHXJVWKO-QPSCCSFWSA-N 2 0 306.416 3.662 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2cccc(Br)c21 ZINC000572951345 1038656841 /nfs/dbraw/zinc/65/68/41/1038656841.db2.gz FYUVKIBJKWCCIS-IAQYHMDHSA-N 2 0 323.278 3.587 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2c(F)cccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603018 1038676571 /nfs/dbraw/zinc/67/65/71/1038676571.db2.gz MUDASNYMBGTBRO-NEPJUHHUSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205604792 1038692228 /nfs/dbraw/zinc/69/22/28/1038692228.db2.gz XBVOZUFAPANRGB-OCCSQVGLSA-N 2 0 300.368 3.512 20 0 DHADRP Cc1cc(C)cc(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590786809 1038705562 /nfs/dbraw/zinc/70/55/62/1038705562.db2.gz NRZCAASAZZFKGL-UHFFFAOYSA-N 2 0 318.505 3.734 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168400088 1038752053 /nfs/dbraw/zinc/75/20/53/1038752053.db2.gz HKAPTBKMLLGENI-IBGZPJMESA-N 2 0 304.453 3.667 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000573790548 1039082977 /nfs/dbraw/zinc/08/29/77/1039082977.db2.gz OUOJCUMFIAPZTQ-MRXNPFEDSA-N 2 0 322.880 3.512 20 0 DHADRP CCCC[C@H](CC)CC[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000574486364 1039685423 /nfs/dbraw/zinc/68/54/23/1039685423.db2.gz BNVKMDKNHIRQHR-IBGZPJMESA-N 2 0 323.569 3.552 20 0 DHADRP C[C@H](CSCCF)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000595004086 1040013619 /nfs/dbraw/zinc/01/36/19/1040013619.db2.gz NIBJSOZRMYWLKJ-MRXNPFEDSA-N 2 0 324.509 3.853 20 0 DHADRP CCSC1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000595099691 1040064919 /nfs/dbraw/zinc/06/49/19/1040064919.db2.gz OGLMSSHSIVWIAX-SJLPKXTDSA-N 2 0 318.530 3.772 20 0 DHADRP CCSC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000595098557 1040082170 /nfs/dbraw/zinc/08/21/70/1040082170.db2.gz IKAZDLDZWZENOS-OAHLLOKOSA-N 2 0 322.518 3.563 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272668933 130050984 /nfs/dbraw/zinc/05/09/84/130050984.db2.gz JXRFNMVVSLWRKV-QAPCUYQASA-N 2 0 311.473 3.911 20 0 DHADRP C[C@@H]([NH2+]CC1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272704656 130055950 /nfs/dbraw/zinc/05/59/50/130055950.db2.gz ZYTATYZYUQHYBW-APWZRJJASA-N 2 0 318.530 3.630 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272843575 130068957 /nfs/dbraw/zinc/06/89/57/130068957.db2.gz JWTIZAIWTMEYMR-HNNXBMFYSA-N 2 0 306.519 3.661 20 0 DHADRP C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336851 130107853 /nfs/dbraw/zinc/10/78/53/130107853.db2.gz VIPIFJMBVJWEIR-GOEBONIOSA-N 2 0 315.486 3.945 20 0 DHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280126587 130784208 /nfs/dbraw/zinc/78/42/08/130784208.db2.gz CBAYTMIUNPYFSM-DKIMLUQUSA-N 2 0 304.865 3.802 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000353464167 130942683 /nfs/dbraw/zinc/94/26/83/130942683.db2.gz PFANOIQTGPQSFU-UHFFFAOYSA-N 2 0 318.358 3.807 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC1(C)C ZINC000340186537 131028227 /nfs/dbraw/zinc/02/82/27/131028227.db2.gz SBRUGFZZQZUROQ-QFBILLFUSA-N 2 0 316.489 3.718 20 0 DHADRP CCC(O)(CC)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000283887624 131031798 /nfs/dbraw/zinc/03/17/98/131031798.db2.gz CJPXTJSFEUFRKU-UHFFFAOYSA-N 2 0 318.505 3.570 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000284196074 131057974 /nfs/dbraw/zinc/05/79/74/131057974.db2.gz GIJYOLYQAVOQNC-CHWSQXEVSA-N 2 0 300.899 3.797 20 0 DHADRP CSCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285893033 131207720 /nfs/dbraw/zinc/20/77/20/131207720.db2.gz CHJTWBGTXQHVFJ-UHFFFAOYSA-N 2 0 306.519 3.772 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000286136313 131220956 /nfs/dbraw/zinc/22/09/56/131220956.db2.gz OSEANBCUFIPFBD-MHJFOBGBSA-N 2 0 316.489 3.588 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nccs2)CC1 ZINC000286256219 131226622 /nfs/dbraw/zinc/22/66/22/131226622.db2.gz UPNUFFCAPFGSGC-UHFFFAOYSA-N 2 0 315.486 3.676 20 0 DHADRP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000287532285 131284743 /nfs/dbraw/zinc/28/47/43/131284743.db2.gz PAAMKYPTSZEBDS-IAGOWNOFSA-N 2 0 317.864 3.511 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccncc1F ZINC000340308719 131370081 /nfs/dbraw/zinc/37/00/81/131370081.db2.gz CLLMTJZRBRXLBB-GTPINHCMSA-N 2 0 319.468 3.914 20 0 DHADRP Cc1nocc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000293619166 131751991 /nfs/dbraw/zinc/75/19/91/131751991.db2.gz QFOAMRJCOJWCES-UHFFFAOYSA-N 2 0 313.445 3.649 20 0 DHADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340475269 131851587 /nfs/dbraw/zinc/85/15/87/131851587.db2.gz WJKHNLWTSLEIFF-GOSISDBHSA-N 2 0 302.462 3.625 20 0 DHADRP Cc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000297332386 132010642 /nfs/dbraw/zinc/01/06/42/132010642.db2.gz CWBQNWGORCJTBE-UHFFFAOYSA-N 2 0 315.848 3.802 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)c1 ZINC000297423457 132015108 /nfs/dbraw/zinc/01/51/08/132015108.db2.gz OONTVTWTQMMSFZ-MRXNPFEDSA-N 2 0 312.379 3.746 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297531971 132020990 /nfs/dbraw/zinc/02/09/90/132020990.db2.gz DPTRJEQXMQHFMJ-GZBFAFLISA-N 2 0 307.869 3.575 20 0 DHADRP CSCC1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297547383 132021744 /nfs/dbraw/zinc/02/17/44/132021744.db2.gz ZDXUSGRSJWGKNY-UHFFFAOYSA-N 2 0 319.518 3.562 20 0 DHADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298505012 132066012 /nfs/dbraw/zinc/06/60/12/132066012.db2.gz QPYAFIDKFBEOFK-LJQANCHMSA-N 2 0 323.440 3.554 20 0 DHADRP Cc1ccc(C[NH+]2CCCC2)cc1NC1CC[NH+](C2CC2)CC1 ZINC000298597997 132069790 /nfs/dbraw/zinc/06/97/90/132069790.db2.gz YYMKLKLTCZHFOO-UHFFFAOYSA-N 2 0 313.489 3.630 20 0 DHADRP c1cn(CCC[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)cn1 ZINC000343317449 335072177 /nfs/dbraw/zinc/07/21/77/335072177.db2.gz VLUYUDIHUQYBLX-FQEVSTJZSA-N 2 0 309.457 3.643 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000525874195 335088094 /nfs/dbraw/zinc/08/80/94/335088094.db2.gz VQSIWTLYPXYOLK-LJQANCHMSA-N 2 0 316.489 3.796 20 0 DHADRP Cc1ccc([C@H](CNc2nc3ccccc3n2C)[NH+](C)C)cc1 ZINC000534244335 435272826 /nfs/dbraw/zinc/27/28/26/435272826.db2.gz CSBPPGADALTAPZ-SFHVURJKSA-N 2 0 308.429 3.597 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000171127642 332854982 /nfs/dbraw/zinc/85/49/82/332854982.db2.gz CCUCOWGDKKGXPD-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449132740 331820796 /nfs/dbraw/zinc/82/07/96/331820796.db2.gz WAWXLAMFUXFZIV-CQSZACIVSA-N 2 0 310.432 3.780 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000565873549 331839616 /nfs/dbraw/zinc/83/96/16/331839616.db2.gz MVGSKMUYFAYGGN-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000518266333 332002984 /nfs/dbraw/zinc/00/29/84/332002984.db2.gz ZWAODZFRBPJCRM-ROUUACIJSA-N 2 0 318.505 3.933 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000129978407 332021564 /nfs/dbraw/zinc/02/15/64/332021564.db2.gz XBCGVZVRRJKMSK-UHFFFAOYSA-N 2 0 321.515 3.693 20 0 DHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130547399 332025042 /nfs/dbraw/zinc/02/50/42/332025042.db2.gz NIQHCPSBYOLGIR-JMGFVUJMSA-N 2 0 323.278 3.569 20 0 DHADRP c1ccc2cc(C[N@@H+]3CCC[C@@H](N4CCOCC4)CC3)ccc2c1 ZINC000569355556 332028777 /nfs/dbraw/zinc/02/87/77/332028777.db2.gz QLOVERJXBJMLBV-OAQYLSRUSA-N 2 0 324.468 3.527 20 0 DHADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000569395656 332075300 /nfs/dbraw/zinc/07/53/00/332075300.db2.gz DVYQZPZKXGVNSN-VQIMIIECSA-N 2 0 313.489 3.880 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000559753674 332279304 /nfs/dbraw/zinc/27/93/04/332279304.db2.gz PEOAKRBZFITWDR-LJQANCHMSA-N 2 0 316.489 3.830 20 0 DHADRP CC[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000262110807 332285478 /nfs/dbraw/zinc/28/54/78/332285478.db2.gz JROILXFFNAUQDX-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H]1C[C@@H]([N@H+](C)CCOc2cccc3ccccc32)CCN1C ZINC000123782365 332287082 /nfs/dbraw/zinc/28/70/82/332287082.db2.gz DPNDYEYYPGGBTJ-WMZOPIPTSA-N 2 0 312.457 3.633 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560252458 332324006 /nfs/dbraw/zinc/32/40/06/332324006.db2.gz WQDYRKTWSWFXFS-RTBURBONSA-N 2 0 316.489 3.697 20 0 DHADRP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000560521319 332349910 /nfs/dbraw/zinc/34/99/10/332349910.db2.gz CUIMHFCVDKJSMB-VAMGGRTRSA-N 2 0 300.490 3.815 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@@H]2CCC[C@@H]21 ZINC000560528241 332351688 /nfs/dbraw/zinc/35/16/88/332351688.db2.gz PAQJNRFAJYFKJW-BZSNNMDCSA-N 2 0 304.453 3.566 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000560527904 332351755 /nfs/dbraw/zinc/35/17/55/332351755.db2.gz GOWFOVJUESSEDP-NJAFHUGGSA-N 2 0 306.519 3.984 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc(C)cc1Cl)CCC2 ZINC000566336041 332353376 /nfs/dbraw/zinc/35/33/76/332353376.db2.gz ONUPDLIDABATDQ-HNNXBMFYSA-N 2 0 303.837 3.821 20 0 DHADRP C[C@@H](C[N@H+](C)CCCN(C)Cc1ccco1)c1ccccc1 ZINC000560541493 332355376 /nfs/dbraw/zinc/35/53/76/332355376.db2.gz OQEUBIMRXLSUGN-KRWDZBQOSA-N 2 0 300.446 3.837 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1cccc(C)c1 ZINC000560544663 332356219 /nfs/dbraw/zinc/35/62/19/332356219.db2.gz RYGIRRFBSKIMNS-AFYVEPGGSA-N 2 0 316.489 3.615 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261825069 332442324 /nfs/dbraw/zinc/44/23/24/332442324.db2.gz WYWBGDBXGGBXHI-HSALFYBXSA-N 2 0 316.489 3.624 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cc3c(s2)CCC3)CC[NH+](C)CC1 ZINC000569860915 332687406 /nfs/dbraw/zinc/68/74/06/332687406.db2.gz GQKKKCWEZJWISE-CYBMUJFWSA-N 2 0 324.559 3.715 20 0 DHADRP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000366822711 335122310 /nfs/dbraw/zinc/12/23/10/335122310.db2.gz JJCWAUDAYUPLQP-AQNXPRMDSA-N 2 0 315.505 3.852 20 0 DHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccncc1 ZINC000174450834 333086437 /nfs/dbraw/zinc/08/64/37/333086437.db2.gz OYFAAFMMVMVRHP-UHFFFAOYSA-N 2 0 321.424 3.596 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000462797432 333114014 /nfs/dbraw/zinc/11/40/14/333114014.db2.gz DGUIUALDJVOHFO-UAFMIMERSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000518776738 333148502 /nfs/dbraw/zinc/14/85/02/333148502.db2.gz LLIFNXJJVHQUPV-UHFFFAOYSA-N 2 0 311.473 3.787 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(OC)cc2)C[C@H]1C ZINC000538283604 333153867 /nfs/dbraw/zinc/15/38/67/333153867.db2.gz QSLVJJNOAFQCJH-NUJGCVRESA-N 2 0 304.478 3.603 20 0 DHADRP CSCCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309717698 333191059 /nfs/dbraw/zinc/19/10/59/333191059.db2.gz MMNGCKKRAZZGMM-SJLPKXTDSA-N 2 0 306.519 3.630 20 0 DHADRP Cc1cnccc1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000563884461 335123584 /nfs/dbraw/zinc/12/35/84/335123584.db2.gz DRXQMQVSVOFGSX-FQEVSTJZSA-N 2 0 324.468 3.816 20 0 DHADRP CCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000501023510 333263253 /nfs/dbraw/zinc/26/32/53/333263253.db2.gz MTMVGRVBPBULDN-JKSUJKDBSA-N 2 0 321.484 3.807 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)ccc2c1 ZINC000390457890 333281545 /nfs/dbraw/zinc/28/15/45/333281545.db2.gz FYZMLIBLBVEVQA-CABCVRRESA-N 2 0 300.446 3.697 20 0 DHADRP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000390718551 333319335 /nfs/dbraw/zinc/31/93/35/333319335.db2.gz MEQFQCFSNSDDHN-NRFANRHFSA-N 2 0 308.469 3.861 20 0 DHADRP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475352 333386171 /nfs/dbraw/zinc/38/61/71/333386171.db2.gz UMQKCYUGTHPHPE-FAXLKDOZSA-N 2 0 323.278 3.569 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](F)C2)CC1 ZINC000563125481 333394646 /nfs/dbraw/zinc/39/46/46/333394646.db2.gz NVUNMBMQLWUPBP-KPFFTGBYSA-N 2 0 318.480 3.952 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCC4)CC2)c1 ZINC000337416636 333448471 /nfs/dbraw/zinc/44/84/71/333448471.db2.gz ZNAONYQLJUKQAG-QGZVFWFLSA-N 2 0 304.503 3.882 20 0 DHADRP CC(C)Oc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000534332163 333577816 /nfs/dbraw/zinc/57/78/16/333577816.db2.gz VUVFHRGDZZORBG-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000571246360 333689846 /nfs/dbraw/zinc/68/98/46/333689846.db2.gz MXPHBVCSVMTUBL-OLZOCXBDSA-N 2 0 302.384 3.739 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414193821 333912003 /nfs/dbraw/zinc/91/20/03/333912003.db2.gz UYTNYQDZTAWFRR-JSNMRZPZSA-N 2 0 321.424 3.625 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000414280386 333932787 /nfs/dbraw/zinc/93/27/87/333932787.db2.gz CZLIKZMOSZUDOR-BMGDILEWSA-N 2 0 308.441 3.558 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]3c3ccco3)CC2)C1 ZINC000414338276 333942239 /nfs/dbraw/zinc/94/22/39/333942239.db2.gz LRXAEEZEQOAPHM-DZOHQFGASA-N 2 0 302.462 3.768 20 0 DHADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414539971 334012987 /nfs/dbraw/zinc/01/29/87/334012987.db2.gz SZLKLRLQLOHTJQ-MSOLQXFVSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1ccc(COc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cc1 ZINC000414656580 334057370 /nfs/dbraw/zinc/05/73/70/334057370.db2.gz NLCFSLDHKFDVIX-UHFFFAOYSA-N 2 0 324.468 3.745 20 0 DHADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000414659602 334059431 /nfs/dbraw/zinc/05/94/31/334059431.db2.gz LHGGLBIFGUMOHL-OFQRWUPVSA-N 2 0 312.379 3.573 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657638 334059613 /nfs/dbraw/zinc/05/96/13/334059613.db2.gz HVYOIIHOHFBGEV-XMSQKQJNSA-N 2 0 322.496 3.757 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc2)cc1 ZINC000414662805 334060993 /nfs/dbraw/zinc/06/09/93/334060993.db2.gz QNFWGHMAZZVLAG-PXNSSMCTSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1ccc(OC2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1C ZINC000414683324 334068194 /nfs/dbraw/zinc/06/81/94/334068194.db2.gz BFRKDEJEODLTCX-QZTJIDSGSA-N 2 0 316.489 3.535 20 0 DHADRP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)CC1CCC(C)CC1 ZINC000414733623 334075524 /nfs/dbraw/zinc/07/55/24/334075524.db2.gz VRDFJTOJUYLHPS-BDVYOWHSSA-N 2 0 321.534 3.689 20 0 DHADRP CC(C)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCc2cccnc21 ZINC000414740010 334079475 /nfs/dbraw/zinc/07/94/75/334079475.db2.gz CVVODVLIKNAMDA-ZHALLVOQSA-N 2 0 315.505 3.805 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414800604 334101474 /nfs/dbraw/zinc/10/14/74/334101474.db2.gz SFSIRAOGUZEPNR-SWLSCSKDSA-N 2 0 302.384 3.599 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000414801644 334103038 /nfs/dbraw/zinc/10/30/38/334103038.db2.gz LZYWHUCBJOBEHY-CZUORRHYSA-N 2 0 319.449 3.556 20 0 DHADRP CCC([NH3+])(CC)C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414806060 334103522 /nfs/dbraw/zinc/10/35/22/334103522.db2.gz HALRVDRZGMFEFP-LBPRGKRZSA-N 2 0 302.384 3.916 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000414806279 334104468 /nfs/dbraw/zinc/10/44/68/334104468.db2.gz HQHZBZDPRWMPSY-HNNXBMFYSA-N 2 0 302.462 3.535 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414813848 334105995 /nfs/dbraw/zinc/10/59/95/334105995.db2.gz UQNZGFBCWLYMHE-LBPRGKRZSA-N 2 0 302.384 3.744 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414817718 334107193 /nfs/dbraw/zinc/10/71/93/334107193.db2.gz SVUYLJZUOSLLCS-HZPDHXFCSA-N 2 0 312.457 3.826 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414817720 334107339 /nfs/dbraw/zinc/10/73/39/334107339.db2.gz SVUYLJZUOSLLCS-JKSUJKDBSA-N 2 0 312.457 3.826 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414822227 334108280 /nfs/dbraw/zinc/10/82/80/334108280.db2.gz MVQUUADYFRMNAB-AGIUHOORSA-N 2 0 300.899 3.700 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000414825790 334109510 /nfs/dbraw/zinc/10/95/10/334109510.db2.gz DDDCPIDVSKQYNE-LJQANCHMSA-N 2 0 324.468 3.663 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414835254 334111457 /nfs/dbraw/zinc/11/14/57/334111457.db2.gz IDUHGBWRCURZKM-WBAXXEDZSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414837271 334111576 /nfs/dbraw/zinc/11/15/76/334111576.db2.gz JJUHVVYDFDARPT-UXPWSPDFSA-N 2 0 321.553 3.527 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414837669 334111836 /nfs/dbraw/zinc/11/18/36/334111836.db2.gz UVLLDCOQIVOCLR-FFZOFVMBSA-N 2 0 316.489 3.699 20 0 DHADRP FC(F)Oc1ccc2ccccc2c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414842813 334112828 /nfs/dbraw/zinc/11/28/28/334112828.db2.gz ZNZJUJQHWKFRHU-ZDUSSCGKSA-N 2 0 320.383 3.530 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414850181 334123383 /nfs/dbraw/zinc/12/33/83/334123383.db2.gz YZBXVRVPBISUJG-OLZOCXBDSA-N 2 0 300.899 3.702 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414852671 334127150 /nfs/dbraw/zinc/12/71/50/334127150.db2.gz KFRXYXLRYWTEIZ-LBPRGKRZSA-N 2 0 301.261 3.515 20 0 DHADRP Fc1cccc(Oc2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2)c1 ZINC000414857868 334131385 /nfs/dbraw/zinc/13/13/85/334131385.db2.gz QJBAYOQRGFLVCQ-INIZCTEOSA-N 2 0 314.404 3.707 20 0 DHADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000414872421 334143294 /nfs/dbraw/zinc/14/32/94/334143294.db2.gz FZJPMIBTOZPOKE-GJZGRUSLSA-N 2 0 312.379 3.813 20 0 DHADRP [NH3+][C@@H](C[NH2+][C@H](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000414895264 334159737 /nfs/dbraw/zinc/15/97/37/334159737.db2.gz WNSYGHCEBJOMDN-RTWAWAEBSA-N 2 0 308.469 3.557 20 0 DHADRP [NH3+]CCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000414897799 334161432 /nfs/dbraw/zinc/16/14/32/334161432.db2.gz CXBYEFORTGWJAS-UHFFFAOYSA-N 2 0 318.848 3.748 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414899648 334163143 /nfs/dbraw/zinc/16/31/43/334163143.db2.gz HIFYROISXUYFLK-CYBMUJFWSA-N 2 0 314.395 3.616 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414908628 334171577 /nfs/dbraw/zinc/17/15/77/334171577.db2.gz QKQVAIIOKHZPCV-CABCVRRESA-N 2 0 300.368 3.670 20 0 DHADRP CC1(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CC[NH2+]CC1 ZINC000414914858 334176480 /nfs/dbraw/zinc/17/64/80/334176480.db2.gz YQEYDDZNMMHRGV-UHFFFAOYSA-N 2 0 324.468 3.745 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414915740 334177319 /nfs/dbraw/zinc/17/73/19/334177319.db2.gz NAZCIQTUYSJLBA-DOMZBBRYSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414926154 334187806 /nfs/dbraw/zinc/18/78/06/334187806.db2.gz MQIGCHKCWXQXBC-GRYCIOLGSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414927784 334190012 /nfs/dbraw/zinc/19/00/12/334190012.db2.gz MLIJTECDHXPNIY-DKSSEZFCSA-N 2 0 301.478 3.547 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414930336 334193995 /nfs/dbraw/zinc/19/39/95/334193995.db2.gz ANBPRYYMAUQEFQ-CJNGLKHVSA-N 2 0 314.395 3.616 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414933313 334196421 /nfs/dbraw/zinc/19/64/21/334196421.db2.gz DPOYVTBEVXPOSA-KNTRFNDTSA-N 2 0 316.489 3.698 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414937951 334200363 /nfs/dbraw/zinc/20/03/63/334200363.db2.gz CYIPDECWECAHQT-BLLLJJGKSA-N 2 0 320.383 3.529 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414941604 334202664 /nfs/dbraw/zinc/20/26/64/334202664.db2.gz LSJDREOBHLLXAU-QIJUGHKUSA-N 2 0 322.496 3.818 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCOc2ccccc2-c2ccccc2)CC1 ZINC000415084148 334272351 /nfs/dbraw/zinc/27/23/51/334272351.db2.gz OFHWHAPEYRUOKQ-UHFFFAOYSA-N 2 0 324.468 3.840 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414957176 334208743 /nfs/dbraw/zinc/20/87/43/334208743.db2.gz NWSWUUJOYCSYLA-BLLLJJGKSA-N 2 0 304.434 3.642 20 0 DHADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)c1 ZINC000415082076 334272826 /nfs/dbraw/zinc/27/28/26/334272826.db2.gz NUCKFERYKFTQET-DSKINZAPSA-N 2 0 324.468 3.845 20 0 DHADRP c1ccc(COc2cccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)c2)cc1 ZINC000414966151 334214331 /nfs/dbraw/zinc/21/43/31/334214331.db2.gz GDRGCMBKDNAIHJ-FQEVSTJZSA-N 2 0 324.468 3.887 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414967527 334215026 /nfs/dbraw/zinc/21/50/26/334215026.db2.gz QALAANQNPRQVFM-OLZOCXBDSA-N 2 0 300.899 3.844 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414979122 334225057 /nfs/dbraw/zinc/22/50/57/334225057.db2.gz UZBCZNSIMRYBJS-HXUWFJFHSA-N 2 0 324.468 3.840 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000414990268 334230314 /nfs/dbraw/zinc/23/03/14/334230314.db2.gz ICNOHEXNEKHGOE-QUCCMNQESA-N 2 0 324.468 3.873 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414992385 334230922 /nfs/dbraw/zinc/23/09/22/334230922.db2.gz BRDCCROZCRISJW-HKUYNNGSSA-N 2 0 324.468 3.969 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000414995109 334233917 /nfs/dbraw/zinc/23/39/17/334233917.db2.gz NBNGWTMMEVMKBK-RDJZCZTQSA-N 2 0 302.462 3.615 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000414995967 334234760 /nfs/dbraw/zinc/23/47/60/334234760.db2.gz GACWBDGDTQOWKB-RHSMWYFYSA-N 2 0 322.880 3.736 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000414995971 334234808 /nfs/dbraw/zinc/23/48/08/334234808.db2.gz GACWBDGDTQOWKB-WMLDXEAASA-N 2 0 322.880 3.736 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000414997962 334236329 /nfs/dbraw/zinc/23/63/29/334236329.db2.gz QGSWHFWBUZJNJD-ZYHUDNBSSA-N 2 0 318.795 3.549 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000415000386 334239634 /nfs/dbraw/zinc/23/96/34/334239634.db2.gz KFFHWWBRYDAMGM-KOLCDFICSA-N 2 0 305.224 3.740 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415002664 334240538 /nfs/dbraw/zinc/24/05/38/334240538.db2.gz WDWPNWVXUCYYRF-GXFFZTMASA-N 2 0 320.786 3.966 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415006726 334248155 /nfs/dbraw/zinc/24/81/55/334248155.db2.gz QTMMQBGRKOAFKE-IOASZLSFSA-N 2 0 314.395 3.916 20 0 DHADRP C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000415007949 334250409 /nfs/dbraw/zinc/25/04/09/334250409.db2.gz RZNKVCXLNDLMPU-IAAVTCLWSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Br)ccc1Cl ZINC000415012491 334258275 /nfs/dbraw/zinc/25/82/75/334258275.db2.gz IZSBXIUBRQBPMG-SNVBAGLBSA-N 2 0 319.674 3.710 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000415022271 334259676 /nfs/dbraw/zinc/25/96/76/334259676.db2.gz IUTLNQSDUROANR-JOCQHMNTSA-N 2 0 300.368 3.560 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000415024909 334259919 /nfs/dbraw/zinc/25/99/19/334259919.db2.gz OLDYNLVNRCFHAK-SHTZXODSSA-N 2 0 315.486 3.665 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000415028584 334260105 /nfs/dbraw/zinc/26/01/05/334260105.db2.gz ZAEMXYYCMNLOJH-OLZOCXBDSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000415028583 334260126 /nfs/dbraw/zinc/26/01/26/334260126.db2.gz ZAEMXYYCMNLOJH-CHWSQXEVSA-N 2 0 302.384 3.744 20 0 DHADRP Fc1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000415034154 334260359 /nfs/dbraw/zinc/26/03/59/334260359.db2.gz CHFLRYIQRBIRDG-CXAGYDPISA-N 2 0 302.393 3.536 20 0 DHADRP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000415048105 334261395 /nfs/dbraw/zinc/26/13/95/334261395.db2.gz FOZMQAYRHARZJA-HNAYVOBHSA-N 2 0 300.421 3.999 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415048783 334261517 /nfs/dbraw/zinc/26/15/17/334261517.db2.gz XILBQPUUIVTHRF-FUHWJXTLSA-N 2 0 310.441 3.579 20 0 DHADRP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)CC1CCOCC1 ZINC000415054828 334261830 /nfs/dbraw/zinc/26/18/30/334261830.db2.gz NRROKVUAFBQEKU-VQIMIIECSA-N 2 0 304.478 3.509 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000415060644 334262127 /nfs/dbraw/zinc/26/21/27/334262127.db2.gz XDGZWWQDDLEWMK-LJQANCHMSA-N 2 0 314.498 3.990 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000415058530 334262132 /nfs/dbraw/zinc/26/21/32/334262132.db2.gz TXZXIYJJEJDPNJ-LJQANCHMSA-N 2 0 320.440 3.647 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000415064106 334262381 /nfs/dbraw/zinc/26/23/81/334262381.db2.gz JSNPCGSBTBTYQT-LJQANCHMSA-N 2 0 305.425 3.805 20 0 DHADRP CSc1cccc([C@H](NCCC[NH3+])c2cc(F)ccc2F)c1 ZINC000415075388 334266880 /nfs/dbraw/zinc/26/68/80/334266880.db2.gz DZTBOXLNTHMPQD-KRWDZBQOSA-N 2 0 322.424 3.715 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000415077106 334268391 /nfs/dbraw/zinc/26/83/91/334268391.db2.gz DVFBDBUZTRRXCF-GUTXKFCHSA-N 2 0 312.404 3.717 20 0 DHADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000415077108 334268428 /nfs/dbraw/zinc/26/84/28/334268428.db2.gz DVFBDBUZTRRXCF-IPYPFGDCSA-N 2 0 312.404 3.717 20 0 DHADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCC[NH3+] ZINC000415080091 334269826 /nfs/dbraw/zinc/26/98/26/334269826.db2.gz KZZCNWLAUPAMCG-JTQLQIEISA-N 2 0 309.866 3.771 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000415080745 334271374 /nfs/dbraw/zinc/27/13/74/334271374.db2.gz JOSGOBOTZHZSBU-RUXDESIVSA-N 2 0 304.331 3.679 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000415088431 334277262 /nfs/dbraw/zinc/27/72/62/334277262.db2.gz LYGDCYUXYUQJDZ-LBXVMSDZSA-N 2 0 310.441 3.644 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000415088434 334277270 /nfs/dbraw/zinc/27/72/70/334277270.db2.gz LYGDCYUXYUQJDZ-UHYCVJNDSA-N 2 0 310.441 3.644 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089732 334279694 /nfs/dbraw/zinc/27/96/94/334279694.db2.gz WQLIYMVHCJBSJO-XUJVJEKNSA-N 2 0 318.358 3.797 20 0 DHADRP c1sc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415089870 334279915 /nfs/dbraw/zinc/27/99/15/334279915.db2.gz YIIFKFVYIKWVDZ-KSZLIROESA-N 2 0 314.498 3.954 20 0 DHADRP CCOCCC1(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCCC1 ZINC000415090452 334280121 /nfs/dbraw/zinc/28/01/21/334280121.db2.gz OUXLVWBXJOYBLJ-ROUUACIJSA-N 2 0 310.526 3.874 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000415092076 334280454 /nfs/dbraw/zinc/28/04/54/334280454.db2.gz RZJMLMRYAKTBFZ-QYGXFBIXSA-N 2 0 324.468 3.892 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415094148 334280795 /nfs/dbraw/zinc/28/07/95/334280795.db2.gz WWFUYSIXTFPDLP-MIOCFURKSA-N 2 0 310.869 3.523 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415128856 334285365 /nfs/dbraw/zinc/28/53/65/334285365.db2.gz OJUUVVBLCXRVEH-LPHOPBHVSA-N 2 0 324.468 3.779 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000443002191 338441585 /nfs/dbraw/zinc/44/15/85/338441585.db2.gz QYWWJXVOVKEZPG-UHFFFAOYSA-N 2 0 300.368 3.589 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000531962006 334312630 /nfs/dbraw/zinc/31/26/30/334312630.db2.gz KUEKSKZEQOGWFZ-OXQOHEQNSA-N 2 0 310.441 3.909 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000534794507 334337138 /nfs/dbraw/zinc/33/71/38/334337138.db2.gz GRWLUIQTSKYRLJ-ZBEGNZNMSA-N 2 0 313.272 3.912 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000049553522 334350021 /nfs/dbraw/zinc/35/00/21/334350021.db2.gz MXSGBQKARIAXGG-NEPJUHHUSA-N 2 0 304.356 3.576 20 0 DHADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534973302 334351044 /nfs/dbraw/zinc/35/10/44/334351044.db2.gz ZDPILDCXPIFPOE-NXOUGTEYSA-N 2 0 304.865 3.790 20 0 DHADRP COc1cccc(Cl)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535081925 334366321 /nfs/dbraw/zinc/36/63/21/334366321.db2.gz KQFNOPONBNWVQU-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP CC(C)(C)c1ncc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000342728726 334569612 /nfs/dbraw/zinc/56/96/12/334569612.db2.gz OCDOAQUYXFPXKM-UHFFFAOYSA-N 2 0 318.509 3.520 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000342791994 334571753 /nfs/dbraw/zinc/57/17/53/334571753.db2.gz GBGNYWSDBYMHEJ-IEBWSBKVSA-N 2 0 322.493 3.766 20 0 DHADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342822047 334581213 /nfs/dbraw/zinc/58/12/13/334581213.db2.gz FGSCMVQYEWRYIA-CVEARBPZSA-N 2 0 304.478 3.684 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCCS2 ZINC000187965270 334592566 /nfs/dbraw/zinc/59/25/66/334592566.db2.gz AFNBUULKSBVASR-QGZVFWFLSA-N 2 0 320.502 3.554 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417324371 334708477 /nfs/dbraw/zinc/70/84/77/334708477.db2.gz CMNLBQQOLZWQRU-OWCLPIDISA-N 2 0 306.519 3.952 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000344136763 335220687 /nfs/dbraw/zinc/22/06/87/335220687.db2.gz UVYFHQQFFNVMPE-SFHVURJKSA-N 2 0 324.453 3.878 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C12CCCC2 ZINC000344106432 335223684 /nfs/dbraw/zinc/22/36/84/335223684.db2.gz JXNLZZHWZDDNRZ-RTBURBONSA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C12CCC2 ZINC000344161088 335226264 /nfs/dbraw/zinc/22/62/64/335226264.db2.gz FVOTWPGNVOVBOT-RTBURBONSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000344334628 335241917 /nfs/dbraw/zinc/24/19/17/335241917.db2.gz SOTZSBHQXNGNPT-JLZZUVOBSA-N 2 0 320.864 3.626 20 0 DHADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000344340798 335242664 /nfs/dbraw/zinc/24/26/64/335242664.db2.gz ZILYFALEAGPMRO-MRXNPFEDSA-N 2 0 308.853 3.651 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000344843710 335279320 /nfs/dbraw/zinc/27/93/20/335279320.db2.gz XKQMDNDKWGBMLF-LJQANCHMSA-N 2 0 310.441 3.534 20 0 DHADRP CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346179708 335378401 /nfs/dbraw/zinc/37/84/01/335378401.db2.gz RJSSHGFTYXUNLU-SFHVURJKSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1ccsc1C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346170732 335384920 /nfs/dbraw/zinc/38/49/20/335384920.db2.gz JNRXEHNBXWXKDO-UHFFFAOYSA-N 2 0 312.442 3.578 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000346170784 335384950 /nfs/dbraw/zinc/38/49/50/335384950.db2.gz JYFRQXNPALIVLM-GOSISDBHSA-N 2 0 324.453 3.974 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000346200241 335389503 /nfs/dbraw/zinc/38/95/03/335389503.db2.gz LTBKTVDLOMTSHP-FOIQADDNSA-N 2 0 318.424 3.769 20 0 DHADRP Cc1ccc(OC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000351473482 336036331 /nfs/dbraw/zinc/03/63/31/336036331.db2.gz VGXHSAVPJXSDRY-SFHVURJKSA-N 2 0 316.489 3.713 20 0 DHADRP Cc1ccc2[nH]c(C[NH+]3CCC(c4ncc[nH]4)CC3)cc2c1C ZINC000351998163 336187269 /nfs/dbraw/zinc/18/72/69/336187269.db2.gz XSJKNUNRHCQQNX-UHFFFAOYSA-N 2 0 308.429 3.887 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCSCc2ccccc2)C1 ZINC000192611073 336193283 /nfs/dbraw/zinc/19/32/83/336193283.db2.gz WHIOANGXIKSXCC-SFHVURJKSA-N 2 0 306.519 3.584 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000333337874 336202052 /nfs/dbraw/zinc/20/20/52/336202052.db2.gz XKSJMXSTFKSCIG-IRXDYDNUSA-N 2 0 301.478 3.667 20 0 DHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])s2)cc1 ZINC000352544857 336223601 /nfs/dbraw/zinc/22/36/01/336223601.db2.gz DEXVTLABPZAQJX-MRXNPFEDSA-N 2 0 315.486 3.822 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CC(OC(C)(C)C)C2)c1 ZINC000352683914 336230247 /nfs/dbraw/zinc/23/02/47/336230247.db2.gz MCYAMQVGGYDQKM-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000352701905 336231162 /nfs/dbraw/zinc/23/11/62/336231162.db2.gz PQBQFIFGCXIEJV-QGZVFWFLSA-N 2 0 301.409 3.523 20 0 DHADRP FCCCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352829480 336267510 /nfs/dbraw/zinc/26/75/10/336267510.db2.gz GPMPBXGZPLHFTQ-IBGZPJMESA-N 2 0 304.453 3.724 20 0 DHADRP CSc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000352833984 336271192 /nfs/dbraw/zinc/27/11/92/336271192.db2.gz JTRSEVQYDPQCIK-UHFFFAOYSA-N 2 0 306.500 3.821 20 0 DHADRP C[NH+](C)[C@@H](CNc1ccnc(C(C)(C)C)n1)c1ccc(F)cc1 ZINC000301458212 336308144 /nfs/dbraw/zinc/30/81/44/336308144.db2.gz XTMKTLWXJJTOEL-HNNXBMFYSA-N 2 0 316.424 3.628 20 0 DHADRP C[NH+](C)C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301794368 336330398 /nfs/dbraw/zinc/33/03/98/336330398.db2.gz PBCKEEXVSVDQCZ-UHFFFAOYSA-N 2 0 323.362 3.784 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ccccn4)[C@@H]3C2)cc1 ZINC000302067697 336346667 /nfs/dbraw/zinc/34/66/67/336346667.db2.gz WTFFKXUBRXTMDM-OTWHNJEPSA-N 2 0 307.441 3.794 20 0 DHADRP Cc1nc2c(c(N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)n1)CCCC2 ZINC000302102939 336348593 /nfs/dbraw/zinc/34/85/93/336348593.db2.gz QQKGEEWMWNQTAB-OALUTQOASA-N 2 0 322.456 3.521 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000302109862 336348966 /nfs/dbraw/zinc/34/89/66/336348966.db2.gz ZAPLCRWEVMCJQG-LPHOPBHVSA-N 2 0 309.457 3.772 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CCCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000302156658 336351318 /nfs/dbraw/zinc/35/13/18/336351318.db2.gz NDDVGVNFRRIXAM-QGZVFWFLSA-N 2 0 309.457 3.998 20 0 DHADRP COc1ccc([C@H](CNc2cc[nH+]c(C)c2)[NH+]2CCCC2)cc1 ZINC000302276096 336356630 /nfs/dbraw/zinc/35/66/30/336356630.db2.gz HWHSGBQRUBUPRZ-IBGZPJMESA-N 2 0 311.429 3.648 20 0 DHADRP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000302552112 336361487 /nfs/dbraw/zinc/36/14/87/336361487.db2.gz IRTGRJCWZROSNA-FPOVZHCZSA-N 2 0 321.468 3.881 20 0 DHADRP Cc1cccc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000302800185 336369726 /nfs/dbraw/zinc/36/97/26/336369726.db2.gz BWUSDLDXOVMLSG-WBVHZDCISA-N 2 0 303.356 3.526 20 0 DHADRP CN1CC[C@H](Nc2ccncc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000302802388 336369819 /nfs/dbraw/zinc/36/98/19/336369819.db2.gz DACPTYZTCCQVGM-JKSUJKDBSA-N 2 0 323.774 3.871 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000514593192 336385297 /nfs/dbraw/zinc/38/52/97/336385297.db2.gz SRKGBTCWKBGWCO-CBNMVNINSA-N 2 0 312.501 3.923 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000563976848 336389330 /nfs/dbraw/zinc/38/93/30/336389330.db2.gz VVGXATMSFCZBAZ-KZNAEPCWSA-N 2 0 322.880 3.667 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353495550 336420519 /nfs/dbraw/zinc/42/05/19/336420519.db2.gz INCJQPSSODIRSZ-HNNXBMFYSA-N 2 0 318.383 3.968 20 0 DHADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353508345 336421417 /nfs/dbraw/zinc/42/14/17/336421417.db2.gz NLFXDTDEVPADDD-SFHVURJKSA-N 2 0 317.477 3.519 20 0 DHADRP CSc1ccccc1[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353630804 336430313 /nfs/dbraw/zinc/43/03/13/336430313.db2.gz NXMBYWUUGIQIOD-CQSZACIVSA-N 2 0 324.559 3.887 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000353673010 336433780 /nfs/dbraw/zinc/43/37/80/336433780.db2.gz OLGJJZFXYNNWFQ-UHFFFAOYSA-N 2 0 309.457 3.711 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000360772883 336721825 /nfs/dbraw/zinc/72/18/25/336721825.db2.gz OOKFNZKZTHWHFV-ZOBUZTSGSA-N 2 0 312.461 3.738 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000361387078 336754802 /nfs/dbraw/zinc/75/48/02/336754802.db2.gz SKIDPKKEAISUNY-IAGOWNOFSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368568309 336848174 /nfs/dbraw/zinc/84/81/74/336848174.db2.gz QGEXJPOOIXHPSI-UHFFFAOYSA-N 2 0 308.416 3.673 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC000369186384 336860096 /nfs/dbraw/zinc/86/00/96/336860096.db2.gz CMSYDEUYWKQJJK-RTBURBONSA-N 2 0 315.505 3.882 20 0 DHADRP C[C@@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)c1ccccn1 ZINC000375496155 337012333 /nfs/dbraw/zinc/01/23/33/337012333.db2.gz QBRCPBIEYLYQGD-YVWKXTFCSA-N 2 0 309.457 3.815 20 0 DHADRP C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)CC1CCOCC1 ZINC000375598674 337014188 /nfs/dbraw/zinc/01/41/88/337014188.db2.gz QLQYCQHMCQHKGP-UYAOXDASSA-N 2 0 320.521 3.532 20 0 DHADRP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377629256 337056843 /nfs/dbraw/zinc/05/68/43/337056843.db2.gz SGQHUNIFAXYRLI-NHCUHLMSSA-N 2 0 323.484 3.605 20 0 DHADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000377759337 337060224 /nfs/dbraw/zinc/06/02/24/337060224.db2.gz GCVUEEQCAHJBFU-SJLPKXTDSA-N 2 0 300.471 3.839 20 0 DHADRP c1cn(CCC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cn1 ZINC000378441142 337072751 /nfs/dbraw/zinc/07/27/51/337072751.db2.gz GZAJSUXKRYZRED-IBGZPJMESA-N 2 0 323.465 3.982 20 0 DHADRP Cc1ccc(F)cc1C[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000378496412 337074301 /nfs/dbraw/zinc/07/43/01/337074301.db2.gz NOAQYAKDEHNMBM-UHFFFAOYSA-N 2 0 313.420 3.630 20 0 DHADRP Cc1nc([C@H](C)NC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cs1 ZINC000378513562 337074821 /nfs/dbraw/zinc/07/48/21/337074821.db2.gz BUIOZXWEFATREF-XCRHUMRWSA-N 2 0 315.486 3.795 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000360063275 337084953 /nfs/dbraw/zinc/08/49/53/337084953.db2.gz YJRBKEAVPZFXCI-OBQDYGRQSA-N 2 0 306.881 3.904 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000582551432 337104258 /nfs/dbraw/zinc/10/42/58/337104258.db2.gz TYBMBEXXWAHKDJ-FQEVSTJZSA-N 2 0 309.457 3.774 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000178501059 337163221 /nfs/dbraw/zinc/16/32/21/337163221.db2.gz ZHGKJSWBSBDLAC-XLIONFOSSA-N 2 0 315.505 3.852 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000182029905 337185864 /nfs/dbraw/zinc/18/58/64/337185864.db2.gz ODYFLSNWNYOJGV-OAHLLOKOSA-N 2 0 317.477 3.560 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000583018689 337225468 /nfs/dbraw/zinc/22/54/68/337225468.db2.gz CLHKIUVGWXQGAB-IBGZPJMESA-N 2 0 304.478 3.762 20 0 DHADRP Cc1cccc2oc(CC[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)nc21 ZINC000583078266 337236511 /nfs/dbraw/zinc/23/65/11/337236511.db2.gz HVYRPDKJVKKPOQ-CVEARBPZSA-N 2 0 315.461 3.579 20 0 DHADRP CC(C)OC1CC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000186551000 337257496 /nfs/dbraw/zinc/25/74/96/337257496.db2.gz AYGITLHOEAGRMJ-YUKKFIBKSA-N 2 0 316.489 3.585 20 0 DHADRP COCCC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000186881506 337260829 /nfs/dbraw/zinc/26/08/29/337260829.db2.gz YYBCTFCWOXBMRV-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000189126290 337277733 /nfs/dbraw/zinc/27/77/33/337277733.db2.gz ZXBXQGOJSWMAMD-NZSAHSFTSA-N 2 0 313.489 3.604 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000583230735 337280941 /nfs/dbraw/zinc/28/09/41/337280941.db2.gz DBETYVPCXCVWKW-RLLQIKCJSA-N 2 0 300.490 3.671 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190941632 337291525 /nfs/dbraw/zinc/29/15/25/337291525.db2.gz OVQJATXBZPIQMF-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP C[N@H+](CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000321953667 337306817 /nfs/dbraw/zinc/30/68/17/337306817.db2.gz MCMDYLDBHFPNCU-XUVXKRRUSA-N 2 0 321.553 3.541 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398144232 337307100 /nfs/dbraw/zinc/30/71/00/337307100.db2.gz NIWLZNYMUCHYSW-NQIIRXRSSA-N 2 0 308.469 3.995 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000584439449 337325716 /nfs/dbraw/zinc/32/57/16/337325716.db2.gz WKXTZKSSCFOOEN-PXXUHZIESA-N 2 0 324.415 3.764 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1)CC(C)C ZINC000583756344 337330256 /nfs/dbraw/zinc/33/02/56/337330256.db2.gz ZQDBKUFJPXGJLJ-WOJBJXKFSA-N 2 0 324.553 3.618 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000584533656 337357484 /nfs/dbraw/zinc/35/74/84/337357484.db2.gz IPNXTJIUAXAEBW-UHFFFAOYSA-N 2 0 302.462 3.569 20 0 DHADRP COc1ccccc1[C@@H](CNc1cc[nH+]cc1C)[NH+]1CCCC1 ZINC000195334332 337467763 /nfs/dbraw/zinc/46/77/63/337467763.db2.gz AWRYYUFKZUGFGQ-GOSISDBHSA-N 2 0 311.429 3.648 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000429447655 337492284 /nfs/dbraw/zinc/49/22/84/337492284.db2.gz JXARPQCPTBZHBG-MAUKXSAKSA-N 2 0 302.462 3.610 20 0 DHADRP Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420239281 337497226 /nfs/dbraw/zinc/49/72/26/337497226.db2.gz SMZIDIMDFMSQLA-STQMWFEESA-N 2 0 303.837 3.679 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420391902 337500517 /nfs/dbraw/zinc/50/05/17/337500517.db2.gz BFWXDWRINWZFFA-MLGOLLRUSA-N 2 0 312.379 3.746 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420393416 337500551 /nfs/dbraw/zinc/50/05/51/337500551.db2.gz QKQYXIVWGYGPPW-XWIAVFTESA-N 2 0 322.880 3.619 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420402647 337500760 /nfs/dbraw/zinc/50/07/60/337500760.db2.gz KDRKQWINOFYTJD-MLGOLLRUSA-N 2 0 312.379 3.746 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccncc1Cl ZINC000421822857 337645834 /nfs/dbraw/zinc/64/58/34/337645834.db2.gz XZYKIBMDBPTCOY-ZDUSSCGKSA-N 2 0 303.837 3.647 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422700045 337683524 /nfs/dbraw/zinc/68/35/24/337683524.db2.gz FXVBWONWWZSOSX-WLWDNUHBSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000422706920 337683598 /nfs/dbraw/zinc/68/35/98/337683598.db2.gz VFCHXTVTZHJMQW-KXBFYZLASA-N 2 0 300.421 3.827 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422710074 337683694 /nfs/dbraw/zinc/68/36/94/337683694.db2.gz KVWFVYGUUIGCOK-OKZBNKHCSA-N 2 0 304.453 3.614 20 0 DHADRP Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C1CC1 ZINC000422712383 337683747 /nfs/dbraw/zinc/68/37/47/337683747.db2.gz NXVJDAKOIATQAE-YWZLYKJASA-N 2 0 309.457 3.959 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)c21 ZINC000422720611 337684133 /nfs/dbraw/zinc/68/41/33/337684133.db2.gz SUNAHGLQUWKNAR-CQSZACIVSA-N 2 0 322.456 3.532 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C)C1 ZINC000422730651 337684363 /nfs/dbraw/zinc/68/43/63/337684363.db2.gz MMQWVCAPTFMUBP-RVZUANDWSA-N 2 0 314.473 3.657 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@H](C)CCCC[NH3+])CCCC1 ZINC000422728651 337684429 /nfs/dbraw/zinc/68/44/29/337684429.db2.gz AMEKOPZISGLVHW-MRXNPFEDSA-N 2 0 304.478 3.614 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422734163 337684565 /nfs/dbraw/zinc/68/45/65/337684565.db2.gz SCUNBVMFGKEJPE-VHSXEESVSA-N 2 0 323.239 3.537 20 0 DHADRP Cc1cccnc1[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000422749138 337684834 /nfs/dbraw/zinc/68/48/34/337684834.db2.gz XTOWGISNMSYILG-FGTMMUONSA-N 2 0 303.494 3.988 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000422772394 337685852 /nfs/dbraw/zinc/68/58/52/337685852.db2.gz YGTQWVMSXYLZHE-OAHLLOKOSA-N 2 0 322.456 3.544 20 0 DHADRP CC[C@H](C)[C@H]([NH2+][C@H](CCC[NH3+])COC)c1ccc(Cl)cc1 ZINC000422775627 337685952 /nfs/dbraw/zinc/68/59/52/337685952.db2.gz ATMRBBAFVCJFRI-XKQJLSEDSA-N 2 0 312.885 3.771 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422785283 337686636 /nfs/dbraw/zinc/68/66/36/337686636.db2.gz NIWMKRDBTUOZPN-UKRRQHHQSA-N 2 0 313.445 3.578 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000422742475 337686823 /nfs/dbraw/zinc/68/68/23/337686823.db2.gz PWVNYUHTZRWEJK-QZTJIDSGSA-N 2 0 324.896 3.915 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422793586 337686991 /nfs/dbraw/zinc/68/69/91/337686991.db2.gz FVSHFBCAZPDPIQ-AWEZNQCLSA-N 2 0 302.393 3.835 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422793587 337687024 /nfs/dbraw/zinc/68/70/24/337687024.db2.gz FVSHFBCAZPDPIQ-CQSZACIVSA-N 2 0 302.393 3.835 20 0 DHADRP [NH3+][C@@H]1C[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)c2ccccc21 ZINC000422808004 337687494 /nfs/dbraw/zinc/68/74/94/337687494.db2.gz PQIFBSDZCOEPEB-QHAWAJNXSA-N 2 0 321.468 3.558 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422805256 337687534 /nfs/dbraw/zinc/68/75/34/337687534.db2.gz IZSJJVJOIVDTBL-IXDOHACOSA-N 2 0 322.493 3.948 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422807029 337687544 /nfs/dbraw/zinc/68/75/44/337687544.db2.gz LPIVXPUHOIPZMY-VXGBXAGGSA-N 2 0 304.356 3.753 20 0 DHADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422812148 337687885 /nfs/dbraw/zinc/68/78/85/337687885.db2.gz PZUDNTUMOZLXQT-ZJUUUORDSA-N 2 0 309.401 3.720 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])s2)cc1 ZINC000422829867 337688261 /nfs/dbraw/zinc/68/82/61/337688261.db2.gz VBXOKOQEALZMKU-YOEHRIQHSA-N 2 0 316.470 3.641 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000422827828 337688308 /nfs/dbraw/zinc/68/83/08/337688308.db2.gz NOIDJHDLRBFFIN-KUHUBIRLSA-N 2 0 318.411 3.966 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422839907 337688657 /nfs/dbraw/zinc/68/86/57/337688657.db2.gz AQRRWQCNBREIAQ-AWEZNQCLSA-N 2 0 310.432 3.884 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422847590 337688744 /nfs/dbraw/zinc/68/87/44/337688744.db2.gz RVSVXCBRIDXTDD-MAUKXSAKSA-N 2 0 323.912 3.584 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422854330 337688896 /nfs/dbraw/zinc/68/88/96/337688896.db2.gz UCSRIYYLQAMGBD-HNNXBMFYSA-N 2 0 317.502 3.535 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422869601 337689342 /nfs/dbraw/zinc/68/93/42/337689342.db2.gz XQAQXPZFWJOLBE-NWDGAFQWSA-N 2 0 315.442 3.772 20 0 DHADRP CC1(C)CCCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422873695 337689543 /nfs/dbraw/zinc/68/95/43/337689543.db2.gz LTIRLZNOAGQNKJ-XKGZKEIXSA-N 2 0 314.473 3.801 20 0 DHADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422891308 337690311 /nfs/dbraw/zinc/69/03/11/337690311.db2.gz VCVWJNCUXYBKEM-GUDVDZBRSA-N 2 0 322.537 3.874 20 0 DHADRP COc1ccccc1Oc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422911056 337690934 /nfs/dbraw/zinc/69/09/34/337690934.db2.gz SBDYLFFBPIXBRV-OAHLLOKOSA-N 2 0 314.429 3.705 20 0 DHADRP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422935297 337692373 /nfs/dbraw/zinc/69/23/73/337692373.db2.gz HDJOTHHVBONFJW-QCRHNUIXSA-N 2 0 322.537 3.586 20 0 DHADRP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422940164 337692667 /nfs/dbraw/zinc/69/26/67/337692667.db2.gz SEHMWOZDKSDGNW-PWRODBHTSA-N 2 0 308.469 3.893 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422978495 337693507 /nfs/dbraw/zinc/69/35/07/337693507.db2.gz HMJWDYSYZIEIOK-HSALFYBXSA-N 2 0 316.489 3.720 20 0 DHADRP Fc1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422988452 337693781 /nfs/dbraw/zinc/69/37/81/337693781.db2.gz KNBDAKQCFJNTND-GUDVDZBRSA-N 2 0 316.464 3.659 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2ccccc2c1 ZINC000422948513 337694324 /nfs/dbraw/zinc/69/43/24/337694324.db2.gz SCGNHGFHXBXMEI-VGOFRKELSA-N 2 0 318.464 3.930 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000423011940 337695579 /nfs/dbraw/zinc/69/55/79/337695579.db2.gz JQZLOKLDMQDAPW-SFHVURJKSA-N 2 0 320.521 3.605 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012421 337695600 /nfs/dbraw/zinc/69/56/00/337695600.db2.gz KUYCNBGBSKMIOO-NWDGAFQWSA-N 2 0 323.893 3.721 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(C(C)C)cc21 ZINC000423020379 337695950 /nfs/dbraw/zinc/69/59/50/337695950.db2.gz BDHCMHXHJUZKHZ-MJGOQNOKSA-N 2 0 304.478 3.531 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000423036592 337696596 /nfs/dbraw/zinc/69/65/96/337696596.db2.gz ARKVTNQTXHOYFX-AITUJVMLSA-N 2 0 310.526 3.871 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000423053001 337697429 /nfs/dbraw/zinc/69/74/29/337697429.db2.gz RTELZKKXNKLQGG-UONOGXRCSA-N 2 0 320.864 3.898 20 0 DHADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423056495 337697511 /nfs/dbraw/zinc/69/75/11/337697511.db2.gz GATAENZVZRZQFB-JRSUCEMESA-N 2 0 312.501 3.908 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423071091 337698346 /nfs/dbraw/zinc/69/83/46/337698346.db2.gz HCPDBGCQYWTIDH-AWEZNQCLSA-N 2 0 310.432 3.884 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423083256 337698530 /nfs/dbraw/zinc/69/85/30/337698530.db2.gz YLUGCBLTKCFPRC-OJAHFUOMSA-N 2 0 316.489 3.665 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092785 337699086 /nfs/dbraw/zinc/69/90/86/337699086.db2.gz DLNNBGWCYYRYPB-FRFIEDCNSA-N 2 0 302.437 3.582 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423109401 337699947 /nfs/dbraw/zinc/69/99/47/337699947.db2.gz SJFSGPPTMJWYGX-WDEREUQCSA-N 2 0 309.866 3.679 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423128097 337700719 /nfs/dbraw/zinc/70/07/19/337700719.db2.gz VBORYCLYGXKZTF-OXQOHEQNSA-N 2 0 312.457 3.696 20 0 DHADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423134184 337701058 /nfs/dbraw/zinc/70/10/58/337701058.db2.gz DLYRZKOGSIKKLG-KBAYOESNSA-N 2 0 306.881 3.701 20 0 DHADRP Cc1cc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1Cl ZINC000423140579 337701445 /nfs/dbraw/zinc/70/14/45/337701445.db2.gz MSUULVZJLHABGR-ZDUSSCGKSA-N 2 0 317.864 3.704 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423140134 337701449 /nfs/dbraw/zinc/70/14/49/337701449.db2.gz XLUBMWHSSGOXAM-ARFHVFGLSA-N 2 0 314.395 3.830 20 0 DHADRP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157425 337701944 /nfs/dbraw/zinc/70/19/44/337701944.db2.gz BAECQSABLVDNTO-IJXRJRJASA-N 2 0 314.473 3.657 20 0 DHADRP Fc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1Cl ZINC000423154747 337702032 /nfs/dbraw/zinc/70/20/32/337702032.db2.gz IEAYFNKOJFDQOX-DVJFUJMWSA-N 2 0 308.828 3.803 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423165434 337702065 /nfs/dbraw/zinc/70/20/65/337702065.db2.gz QAEGNYYEQGUNAG-JQHSSLGASA-N 2 0 324.896 3.710 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000423223504 337705620 /nfs/dbraw/zinc/70/56/20/337705620.db2.gz AGZQBBYNHUJCKA-LTDKPHRXSA-N 2 0 306.881 3.911 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423253280 337707567 /nfs/dbraw/zinc/70/75/67/337707567.db2.gz VRBCSFCRFUISGI-QZTJIDSGSA-N 2 0 324.468 3.916 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423255546 337707748 /nfs/dbraw/zinc/70/77/48/337707748.db2.gz CDQIUQFXHZAYKE-SOUVJXGZSA-N 2 0 317.502 3.768 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423261020 337707912 /nfs/dbraw/zinc/70/79/12/337707912.db2.gz RHEMZYBOMVNJCC-WFASDCNBSA-N 2 0 310.894 3.856 20 0 DHADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423261381 337707945 /nfs/dbraw/zinc/70/79/45/337707945.db2.gz SBOZSZRQWNERAV-OXQOHEQNSA-N 2 0 312.432 3.894 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423262147 337707949 /nfs/dbraw/zinc/70/79/49/337707949.db2.gz UPYBIJVOXNLPIU-DLBZAZTESA-N 2 0 309.457 3.789 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423262087 337707965 /nfs/dbraw/zinc/70/79/65/337707965.db2.gz UGTNTPMBEFFQBF-KBPBESRZSA-N 2 0 312.404 3.637 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423280569 337709292 /nfs/dbraw/zinc/70/92/92/337709292.db2.gz UREGCIYKLPRAIJ-DZGCQCFKSA-N 2 0 315.486 3.633 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCCS2 ZINC000423282791 337709303 /nfs/dbraw/zinc/70/93/03/337709303.db2.gz WYPSRAVJDFTMCE-PBHICJAKSA-N 2 0 320.502 3.602 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423284511 337709395 /nfs/dbraw/zinc/70/93/95/337709395.db2.gz YENLTQBZGOYPKF-GUTXKFCHSA-N 2 0 312.404 3.765 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423303964 337711241 /nfs/dbraw/zinc/71/12/41/337711241.db2.gz XVEIJPFUFIRWSF-DLBZAZTESA-N 2 0 304.478 3.537 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Br)s1 ZINC000423316418 337711672 /nfs/dbraw/zinc/71/16/72/337711672.db2.gz ASSHFSVVXZPDNE-JTQLQIEISA-N 2 0 317.296 3.551 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423316377 337711692 /nfs/dbraw/zinc/71/16/92/337711692.db2.gz ZZGMHUMXPSLCQM-WFASDCNBSA-N 2 0 308.878 3.870 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423327313 337712060 /nfs/dbraw/zinc/71/20/60/337712060.db2.gz MTZLOUTUZFBQQP-QGZVFWFLSA-N 2 0 306.812 3.897 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423330780 337712398 /nfs/dbraw/zinc/71/23/98/337712398.db2.gz NTONPRXKWXRSCG-SWLSCSKDSA-N 2 0 300.368 3.746 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423334378 337712596 /nfs/dbraw/zinc/71/25/96/337712596.db2.gz IGYHQPLHXXZWDB-IATRGZMQSA-N 2 0 312.910 3.873 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423334155 337712635 /nfs/dbraw/zinc/71/26/35/337712635.db2.gz QPDJTBCPGSEPAG-LBPRGKRZSA-N 2 0 316.367 3.626 20 0 DHADRP [NH3+]C1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000423338290 337712755 /nfs/dbraw/zinc/71/27/55/337712755.db2.gz WAGCOCDHVMZAFA-ZFWWWQNUSA-N 2 0 312.379 3.813 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340935 337712943 /nfs/dbraw/zinc/71/29/43/337712943.db2.gz WBKVXBNIKLPFRI-KGLIPLIRSA-N 2 0 317.502 3.768 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423347394 337713407 /nfs/dbraw/zinc/71/34/07/337713407.db2.gz QHYPXHVHFWABCW-MRXNPFEDSA-N 2 0 312.379 3.912 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)cc1 ZINC000423427577 337717090 /nfs/dbraw/zinc/71/70/90/337717090.db2.gz FYWFWLUXIASRNN-XGXHKWSGSA-N 2 0 318.892 3.954 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423376911 337717277 /nfs/dbraw/zinc/71/72/77/337717277.db2.gz JHCAGQZVDDNQGJ-FQEVSTJZSA-N 2 0 312.432 3.786 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000423387431 337718084 /nfs/dbraw/zinc/71/80/84/337718084.db2.gz MRLFZUCXZKCJBY-OVWQWFNUSA-N 2 0 320.452 3.720 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423388214 337718148 /nfs/dbraw/zinc/71/81/48/337718148.db2.gz NHKHLUZRHKUXAL-YUTCNCBUSA-N 2 0 314.445 3.964 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H](C)CCC[NH3+])cc1F ZINC000423444018 337719474 /nfs/dbraw/zinc/71/94/74/337719474.db2.gz AUCCMXFKFAYKRH-KMFMINBZSA-N 2 0 308.441 3.578 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423445208 337719589 /nfs/dbraw/zinc/71/95/89/337719589.db2.gz MLNTXDPUHGNXIU-GVARAGBVSA-N 2 0 300.368 3.667 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000423460635 337720542 /nfs/dbraw/zinc/72/05/42/337720542.db2.gz MUDRWJFIJLUFFL-LALPHHSUSA-N 2 0 310.894 3.984 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423466883 337720847 /nfs/dbraw/zinc/72/08/47/337720847.db2.gz NROPNKZNCKKVPT-AZHAFVHUSA-N 2 0 300.368 3.667 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423469756 337721007 /nfs/dbraw/zinc/72/10/07/337721007.db2.gz VUIRWUDSGXXOPY-UBHSHLNASA-N 2 0 309.523 3.917 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000423470543 337721161 /nfs/dbraw/zinc/72/11/61/337721161.db2.gz WLXXSAQXLYJHHM-SLEUVZQESA-N 2 0 300.368 3.874 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CCC[C@H]3CCC[NH2+]3)c(C)c2c1 ZINC000423474826 337721458 /nfs/dbraw/zinc/72/14/58/337721458.db2.gz HQTNSKSYEOPKRG-GJZGRUSLSA-N 2 0 316.445 3.933 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423474238 337721468 /nfs/dbraw/zinc/72/14/68/337721468.db2.gz YYYDNCAOGYBSDG-BFHYXJOUSA-N 2 0 312.404 3.765 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423475042 337721568 /nfs/dbraw/zinc/72/15/68/337721568.db2.gz ZRFRUBROJIQWBE-SGMGOOAPSA-N 2 0 316.367 3.753 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000423475580 337721589 /nfs/dbraw/zinc/72/15/89/337721589.db2.gz QCQDUGKVBQIDBG-BJJXKVORSA-N 2 0 308.853 3.661 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423483796 337722006 /nfs/dbraw/zinc/72/20/06/337722006.db2.gz ZQLJQKHJRZXFCK-LBTNJELSSA-N 2 0 302.462 3.525 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1nc2ccccc2n1C ZINC000423497275 337722965 /nfs/dbraw/zinc/72/29/65/337722965.db2.gz GIHAQSHBVFGHJN-WBVHZDCISA-N 2 0 322.456 3.704 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423501593 337723296 /nfs/dbraw/zinc/72/32/96/337723296.db2.gz CXNRNPNNMFIGJB-RTBURBONSA-N 2 0 310.441 3.839 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423513795 337724202 /nfs/dbraw/zinc/72/42/02/337724202.db2.gz RMRUISVGDXTING-LYRGGWFBSA-N 2 0 323.278 3.617 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423522118 337724553 /nfs/dbraw/zinc/72/45/53/337724553.db2.gz XKWHNXVTVPJINY-GZBFAFLISA-N 2 0 301.459 3.588 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000423533504 337724682 /nfs/dbraw/zinc/72/46/82/337724682.db2.gz XQNYKQKUZFDQMN-SJLPKXTDSA-N 2 0 320.452 3.592 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423480823 337724810 /nfs/dbraw/zinc/72/48/10/337724810.db2.gz NNWWVZPSVFSNFC-CTNGQTDRSA-N 2 0 324.468 3.906 20 0 DHADRP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423537897 337725082 /nfs/dbraw/zinc/72/50/82/337725082.db2.gz LHVCLLPTOMKSTG-HNNXBMFYSA-N 2 0 311.256 3.880 20 0 DHADRP CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423539059 337725137 /nfs/dbraw/zinc/72/51/37/337725137.db2.gz HQWDLXSRAIJANQ-SEZOEQDJSA-N 2 0 312.501 3.865 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(OC)cc1 ZINC000423540637 337725196 /nfs/dbraw/zinc/72/51/96/337725196.db2.gz KEEARXSXQWDHIH-BMFAXAFESA-N 2 0 302.462 3.514 20 0 DHADRP Fc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423543322 337725288 /nfs/dbraw/zinc/72/52/88/337725288.db2.gz UZKWSZCYPWLLKG-HXUWFJFHSA-N 2 0 310.416 3.815 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423547236 337725316 /nfs/dbraw/zinc/72/53/16/337725316.db2.gz PRMMGAQOSAAXLX-GDAAHCPNSA-N 2 0 316.489 3.760 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423547291 337725423 /nfs/dbraw/zinc/72/54/23/337725423.db2.gz PRTWEOLYXXWCPR-YIYPIFLZSA-N 2 0 312.910 3.700 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423548284 337725429 /nfs/dbraw/zinc/72/54/29/337725429.db2.gz MKXLDKZYWIIBTR-JCHJZTRSSA-N 2 0 316.489 3.904 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCS2 ZINC000423547776 337725450 /nfs/dbraw/zinc/72/54/50/337725450.db2.gz QFDLFKOOPDRBCL-YFHUEUNASA-N 2 0 316.514 3.818 20 0 DHADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000423554527 337725489 /nfs/dbraw/zinc/72/54/89/337725489.db2.gz WRSHXNIPHZJWCI-KJJMTIBFSA-N 2 0 320.480 3.948 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CC2CCc3ccccc3CC2)CC1 ZINC000527934748 337776817 /nfs/dbraw/zinc/77/68/17/337776817.db2.gz XFKZCZOFDIWSRV-UHFFFAOYSA-N 2 0 300.490 3.644 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)CC1 ZINC000527998258 337779010 /nfs/dbraw/zinc/77/90/10/337779010.db2.gz XXVQNEJZBQGDJT-UHFFFAOYSA-N 2 0 317.452 3.622 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000092381179 337903266 /nfs/dbraw/zinc/90/32/66/337903266.db2.gz RBFSITRHBCRVFB-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123733473 337908389 /nfs/dbraw/zinc/90/83/89/337908389.db2.gz NMQYYJJASNQYPR-JLTOFOAXSA-N 2 0 312.432 3.910 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccs1 ZINC000122326704 337913866 /nfs/dbraw/zinc/91/38/66/337913866.db2.gz PXVLNQARUPDKTP-MRXNPFEDSA-N 2 0 318.486 3.929 20 0 DHADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122321106 337916143 /nfs/dbraw/zinc/91/61/43/337916143.db2.gz YSNDGQHUZZPFKL-HRAATJIYSA-N 2 0 324.468 3.650 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000122685780 337923972 /nfs/dbraw/zinc/92/39/72/337923972.db2.gz CSECUOQWKNWHEO-CQSZACIVSA-N 2 0 308.441 3.607 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000516127337 338004628 /nfs/dbraw/zinc/00/46/28/338004628.db2.gz DCHMJRIUHBAYIW-RBUKOAKNSA-N 2 0 315.505 3.738 20 0 DHADRP C[C@H](C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000425949351 338019104 /nfs/dbraw/zinc/01/91/04/338019104.db2.gz FLLPPQGIVYSDJW-ZIAGYGMSSA-N 2 0 316.411 3.814 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC(OC(C)C)C2)cc1 ZINC000428261741 338044711 /nfs/dbraw/zinc/04/47/11/338044711.db2.gz VMDNHPLMTYGBGB-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2oc(C(C)C)nc2C)CC1 ZINC000428470300 338053958 /nfs/dbraw/zinc/05/39/58/338053958.db2.gz ZVCWNSJWFDUAIS-UHFFFAOYSA-N 2 0 307.482 3.660 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCOc3cccc4ccccc43)C2)C1 ZINC000429031140 338069261 /nfs/dbraw/zinc/06/92/61/338069261.db2.gz SSYPHCXGJXKBCG-NRFANRHFSA-N 2 0 324.468 3.636 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3cccc4ccccc43)C2)C1 ZINC000429035951 338069498 /nfs/dbraw/zinc/06/94/98/338069498.db2.gz OFLHYPKFZFREPV-NRFANRHFSA-N 2 0 308.469 3.800 20 0 DHADRP C(C[NH+](C1CCC1)C1CCC1)OCC[NH+](C1CCC1)C1CCC1 ZINC000429164696 338072431 /nfs/dbraw/zinc/07/24/31/338072431.db2.gz PPCLNLJORQYZLI-UHFFFAOYSA-N 2 0 320.521 3.817 20 0 DHADRP COC1(C[C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCC1 ZINC000429438938 338081065 /nfs/dbraw/zinc/08/10/65/338081065.db2.gz ZMAQBTSONWEGMM-LMDPOFIKSA-N 2 0 322.537 3.967 20 0 DHADRP CC[C@H]1CCCC[N@@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429708202 338087971 /nfs/dbraw/zinc/08/79/71/338087971.db2.gz LMKXZSBBRSRASL-VQTJNVASSA-N 2 0 316.489 3.542 20 0 DHADRP CC[C@H]1CCCC[N@@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429708200 338087991 /nfs/dbraw/zinc/08/79/91/338087991.db2.gz LMKXZSBBRSRASL-PMACEKPBSA-N 2 0 316.489 3.542 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430586176 338109265 /nfs/dbraw/zinc/10/92/65/338109265.db2.gz VKMNKFPNJDLXSG-QFBILLFUSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015005 338120616 /nfs/dbraw/zinc/12/06/16/338120616.db2.gz QXPWLVYBGVRLNU-ZDUSSCGKSA-N 2 0 312.379 3.842 20 0 DHADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C)cc1 ZINC000432408042 338155103 /nfs/dbraw/zinc/15/51/03/338155103.db2.gz RLNFUUYHWHKABF-IEBWSBKVSA-N 2 0 304.478 3.537 20 0 DHADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432412669 338155373 /nfs/dbraw/zinc/15/53/73/338155373.db2.gz CTPMJUHEMLNCAT-IEBWSBKVSA-N 2 0 304.478 3.618 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000432793621 338168032 /nfs/dbraw/zinc/16/80/32/338168032.db2.gz PPKUUHBYFQVMDR-VAMGGRTRSA-N 2 0 300.490 3.913 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000432793620 338168130 /nfs/dbraw/zinc/16/81/30/338168130.db2.gz PPKUUHBYFQVMDR-HSALFYBXSA-N 2 0 300.490 3.913 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CC(C)(C)C1 ZINC000433292107 338189777 /nfs/dbraw/zinc/18/97/77/338189777.db2.gz WGRDAEXQTRPTNA-HOTGVXAUSA-N 2 0 300.490 3.921 20 0 DHADRP C[NH+]1CCC(CC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000154180243 338238228 /nfs/dbraw/zinc/23/82/28/338238228.db2.gz KMRSXSYUHUBVQS-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000435395877 338239015 /nfs/dbraw/zinc/23/90/15/338239015.db2.gz VOSUMCYWPLKRIM-GOSISDBHSA-N 2 0 324.468 3.794 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000435746068 338247727 /nfs/dbraw/zinc/24/77/27/338247727.db2.gz SWJWURHCTLWQQF-BHIYHBOVSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc3c(cccc3F)[nH]2)c1 ZINC000436268199 338264469 /nfs/dbraw/zinc/26/44/69/338264469.db2.gz TYJWEGCCBKBGQL-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436307181 338268111 /nfs/dbraw/zinc/26/81/11/338268111.db2.gz QIOOJHOHCUXMHG-VQIMIIECSA-N 2 0 308.510 3.578 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000436319215 338268939 /nfs/dbraw/zinc/26/89/39/338268939.db2.gz ZSNZWGLLJYCHOZ-IKICRFKJSA-N 2 0 306.881 3.906 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000437785509 338321306 /nfs/dbraw/zinc/32/13/06/338321306.db2.gz GECSEEYPZOYTEH-AWEZNQCLSA-N 2 0 318.411 3.747 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccccc2F)c1 ZINC000438179096 338335103 /nfs/dbraw/zinc/33/51/03/338335103.db2.gz QNHPKZBXTMGMJJ-MRXNPFEDSA-N 2 0 314.448 3.998 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000438182897 338335303 /nfs/dbraw/zinc/33/53/03/338335303.db2.gz VCQBYWMAKRLTBB-ZWKOTPCHSA-N 2 0 304.478 3.698 20 0 DHADRP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000440323553 338385439 /nfs/dbraw/zinc/38/54/39/338385439.db2.gz AHOGNWYPANHGQD-FQEVSTJZSA-N 2 0 300.490 3.878 20 0 DHADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(-c2ccncc2)c1 ZINC000446884436 338539416 /nfs/dbraw/zinc/53/94/16/338539416.db2.gz OIZUEWHNMLNGLT-UHFFFAOYSA-N 2 0 321.468 3.713 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446885995 338539471 /nfs/dbraw/zinc/53/94/71/338539471.db2.gz ZMTRVXWPBMDHNV-FPOVZHCZSA-N 2 0 312.501 3.961 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558879 338556782 /nfs/dbraw/zinc/55/67/82/338556782.db2.gz QNWCUETVADGJBV-FQEVSTJZSA-N 2 0 318.480 3.857 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cnc2ccsc2c1 ZINC000447568081 338557505 /nfs/dbraw/zinc/55/75/05/338557505.db2.gz HFIWUIIENIEHLC-CYBMUJFWSA-N 2 0 315.486 3.821 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)Cc1ccoc1 ZINC000449068543 338590229 /nfs/dbraw/zinc/59/02/29/338590229.db2.gz TXFDKPLEENGCQT-MRXNPFEDSA-N 2 0 300.446 3.842 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449131523 338595859 /nfs/dbraw/zinc/59/58/59/338595859.db2.gz NHPTWNRFQOXWHC-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000449162143 338598188 /nfs/dbraw/zinc/59/81/88/338598188.db2.gz QWDZYIPAFLSUJJ-GGPKGHCWSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322561 338612686 /nfs/dbraw/zinc/61/26/86/338612686.db2.gz XTJYDZVLFZKYSS-MRXNPFEDSA-N 2 0 312.542 3.520 20 0 DHADRP CCc1ccc2[nH+]ccc(N3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000450260870 338674000 /nfs/dbraw/zinc/67/40/00/338674000.db2.gz LLVPIQGNQJALDF-UHFFFAOYSA-N 2 0 309.457 3.862 20 0 DHADRP CCc1cc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc[nH+]1 ZINC000450447596 338684821 /nfs/dbraw/zinc/68/48/21/338684821.db2.gz WRZRVYTVDCQOBB-CQSZACIVSA-N 2 0 301.459 3.589 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000453054420 338788153 /nfs/dbraw/zinc/78/81/53/338788153.db2.gz BVQVYDAVPQYXTJ-LJQANCHMSA-N 2 0 317.521 3.895 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000453065368 338789504 /nfs/dbraw/zinc/78/95/04/338789504.db2.gz UUBWIODLFOWUNI-LMMKCTJWSA-N 2 0 303.494 3.880 20 0 DHADRP FC1(F)CC(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000453426833 338841408 /nfs/dbraw/zinc/84/14/08/338841408.db2.gz OZGAJDDDBUNQQP-UHFFFAOYSA-N 2 0 300.437 3.809 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCOC(C)(C)C3)CC2)C1 ZINC000453444440 338842634 /nfs/dbraw/zinc/84/26/34/338842634.db2.gz YEOIMSCZVMYZOU-LMMKCTJWSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(C2CCC2)CCC1 ZINC000453587785 338849374 /nfs/dbraw/zinc/84/93/74/338849374.db2.gz SJVJNERDUHSXCG-UHFFFAOYSA-N 2 0 310.445 3.636 20 0 DHADRP Cn1cncc1CC[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000459329186 339022222 /nfs/dbraw/zinc/02/22/22/339022222.db2.gz REWGPLGVKCZAEO-UHFFFAOYSA-N 2 0 319.452 3.995 20 0 DHADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000459379013 339025762 /nfs/dbraw/zinc/02/57/62/339025762.db2.gz OROKOQRACHIHCE-ZHALLVOQSA-N 2 0 313.489 3.999 20 0 DHADRP C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459513546 339033528 /nfs/dbraw/zinc/03/35/28/339033528.db2.gz RYWOTRQMIDBJDG-ZDUSSCGKSA-N 2 0 315.383 3.761 20 0 DHADRP Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459526991 339034045 /nfs/dbraw/zinc/03/40/45/339034045.db2.gz IQQBUJPJXJVJJV-UAPYVXQJSA-N 2 0 321.468 3.895 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459562203 339035881 /nfs/dbraw/zinc/03/58/81/339035881.db2.gz FONRMVLQOYCARK-GOSISDBHSA-N 2 0 321.468 3.760 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459658355 339041141 /nfs/dbraw/zinc/04/11/41/339041141.db2.gz KHNSMUGHPVMHRO-SXGWCWSVSA-N 2 0 321.424 3.674 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)ccc12 ZINC000459659657 339041166 /nfs/dbraw/zinc/04/11/66/339041166.db2.gz MSAGZUPTFJRKSK-WMZOPIPTSA-N 2 0 306.413 3.545 20 0 DHADRP COC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000459667550 339041716 /nfs/dbraw/zinc/04/17/16/339041716.db2.gz AVRGPMLQNBTXLX-ZJZKXORJSA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc2cc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000459721743 339044284 /nfs/dbraw/zinc/04/42/84/339044284.db2.gz ASVWNTOLWSVMJA-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000459725081 339044631 /nfs/dbraw/zinc/04/46/31/339044631.db2.gz AZAPILODNMQRBZ-LRYGQEGESA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000459730506 339044787 /nfs/dbraw/zinc/04/47/87/339044787.db2.gz KKYVDMNHYKJTLD-AWEZNQCLSA-N 2 0 300.368 3.527 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459754998 339046402 /nfs/dbraw/zinc/04/64/02/339046402.db2.gz JNDLYKKXLKKGKI-LMQGHGSNSA-N 2 0 312.501 3.860 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459784615 339048513 /nfs/dbraw/zinc/04/85/13/339048513.db2.gz OCNLGKGUHALZNQ-GUDVDZBRSA-N 2 0 315.505 3.738 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000459792593 339048700 /nfs/dbraw/zinc/04/87/00/339048700.db2.gz SQZUZYFOEIFIJW-ATZDWAIDSA-N 2 0 304.453 3.783 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459795398 339048943 /nfs/dbraw/zinc/04/89/43/339048943.db2.gz VFIIUPXWVIKTGA-IKGGRYGDSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459798044 339049115 /nfs/dbraw/zinc/04/91/15/339049115.db2.gz XKNMWMNBWWAEFL-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000459797467 339049146 /nfs/dbraw/zinc/04/91/46/339049146.db2.gz WRLSKIGPTFGSKO-JTQLQIEISA-N 2 0 307.290 3.876 20 0 DHADRP CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000462690144 339084314 /nfs/dbraw/zinc/08/43/14/339084314.db2.gz WUWVKKWDRNABRZ-FUHWJXTLSA-N 2 0 304.478 3.685 20 0 DHADRP FC(F)(F)C1CCC(C[NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000466354669 339200429 /nfs/dbraw/zinc/20/04/29/339200429.db2.gz ZQWASFDGVKTQNO-UHFFFAOYSA-N 2 0 318.427 3.962 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000467309556 339230999 /nfs/dbraw/zinc/23/09/99/339230999.db2.gz RBXHXNRHGDQIQM-IEBWSBKVSA-N 2 0 315.505 3.880 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(C)C)cc2)[C@@H](C)C1 ZINC000468838908 339272297 /nfs/dbraw/zinc/27/22/97/339272297.db2.gz DNHFPFOPBUJJHJ-PXNSSMCTSA-N 2 0 318.505 3.584 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000468901067 339274066 /nfs/dbraw/zinc/27/40/66/339274066.db2.gz HKRVMPXXXNIHBV-KRWDZBQOSA-N 2 0 318.505 3.966 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000469041697 339278478 /nfs/dbraw/zinc/27/84/78/339278478.db2.gz NVLXTWDVIXYJPE-IZBJGVDFSA-N 2 0 302.506 3.820 20 0 DHADRP CC(C)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000469257526 339284402 /nfs/dbraw/zinc/28/44/02/339284402.db2.gz OYRATUWWNKFGAO-LJQANCHMSA-N 2 0 302.506 3.964 20 0 DHADRP CCc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000469776537 339299154 /nfs/dbraw/zinc/29/91/54/339299154.db2.gz RFHURGMEDPORTR-APWZRJJASA-N 2 0 300.490 3.992 20 0 DHADRP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000469851842 339302596 /nfs/dbraw/zinc/30/25/96/339302596.db2.gz MOYMXJYNYNRIPE-GDBMZVCRSA-N 2 0 300.471 3.893 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OCC(C)C)c2)CC1 ZINC000469851005 339302627 /nfs/dbraw/zinc/30/26/27/339302627.db2.gz XQKBDFHBGGXYOD-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(OC(F)F)ccc2ccccc21 ZINC000469864067 339303056 /nfs/dbraw/zinc/30/30/56/339303056.db2.gz RCJUKABBZZHBFM-QWHCGFSZSA-N 2 0 320.383 3.610 20 0 DHADRP C[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C1CC[NH2+]CC1 ZINC000469996202 339307584 /nfs/dbraw/zinc/30/75/84/339307584.db2.gz KKDLVUKGFHLGRR-UHFFFAOYSA-N 2 0 304.434 3.738 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000470003501 339308100 /nfs/dbraw/zinc/30/81/00/339308100.db2.gz QXNMIMAZFDHNPQ-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000470010948 339308443 /nfs/dbraw/zinc/30/84/43/339308443.db2.gz DOPDFVSMOUNSHS-CYBMUJFWSA-N 2 0 304.434 3.596 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000470015580 339308500 /nfs/dbraw/zinc/30/85/00/339308500.db2.gz BCOUCAZVWXCIHT-UHFFFAOYSA-N 2 0 318.461 3.986 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](C)C1 ZINC000470254086 339315411 /nfs/dbraw/zinc/31/54/11/339315411.db2.gz IIUYJUDZGBRBOK-QPSCCSFWSA-N 2 0 306.416 3.675 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2c1C ZINC000472075903 339362601 /nfs/dbraw/zinc/36/26/01/339362601.db2.gz RCRJRMSKHUZLIJ-ZNXRZULTSA-N 2 0 311.473 3.890 20 0 DHADRP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000472565458 339373943 /nfs/dbraw/zinc/37/39/43/339373943.db2.gz PWYKQHQZJUJCKG-UHFFFAOYSA-N 2 0 318.505 3.647 20 0 DHADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000472571740 339374016 /nfs/dbraw/zinc/37/40/16/339374016.db2.gz RRKKBSIUZZKYAH-YZGWKJHDSA-N 2 0 300.490 3.814 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCC(F)(F)CC1 ZINC000474034179 339398044 /nfs/dbraw/zinc/39/80/44/339398044.db2.gz OYDVYMPWEXAYJI-ZDUSSCGKSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000474619603 339420422 /nfs/dbraw/zinc/42/04/22/339420422.db2.gz RKDJIAVIKXTBHX-AWEZNQCLSA-N 2 0 316.411 3.958 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000474796799 339426389 /nfs/dbraw/zinc/42/63/89/339426389.db2.gz BWRDHTDLKQQFIY-VQTJNVASSA-N 2 0 317.521 3.813 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000475336163 339447468 /nfs/dbraw/zinc/44/74/68/339447468.db2.gz STBZYGNDBHYZNE-APWZRJJASA-N 2 0 304.453 3.926 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000475553539 339454832 /nfs/dbraw/zinc/45/48/32/339454832.db2.gz LHIXPMGZSZJILE-LPHOPBHVSA-N 2 0 304.453 3.926 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479870259 339551823 /nfs/dbraw/zinc/55/18/23/339551823.db2.gz CFWXJSOCNMCHED-GJYPPUQNSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000480335556 339569014 /nfs/dbraw/zinc/56/90/14/339569014.db2.gz OFBRQMZFFCLULS-CYBMUJFWSA-N 2 0 302.384 3.959 20 0 DHADRP CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000480538423 339576580 /nfs/dbraw/zinc/57/65/80/339576580.db2.gz SCEBYTVKALQGMT-VQTJNVASSA-N 2 0 323.569 3.597 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000484299076 339684258 /nfs/dbraw/zinc/68/42/58/339684258.db2.gz ZPYDEIJVHAADRU-JXFKEZNVSA-N 2 0 314.473 3.847 20 0 DHADRP C[C@@H](CC[NH2+]Cc1cc2ccc(F)cc2[nH]1)[NH+]1CCCCC1 ZINC000486678772 339730942 /nfs/dbraw/zinc/73/09/42/339730942.db2.gz HLBYELLFHNHTOP-AWEZNQCLSA-N 2 0 303.425 3.661 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000487186079 339745668 /nfs/dbraw/zinc/74/56/68/339745668.db2.gz MRZLTDLRERDZHN-UHFFFAOYSA-N 2 0 322.880 3.703 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)cc1 ZINC000488447874 339782960 /nfs/dbraw/zinc/78/29/60/339782960.db2.gz XYEJXINJHMSKQQ-IAGOWNOFSA-N 2 0 306.519 3.758 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000489567892 339813001 /nfs/dbraw/zinc/81/30/01/339813001.db2.gz JKCFETUZAHBPJY-IBGZPJMESA-N 2 0 316.489 3.711 20 0 DHADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000500428112 340058398 /nfs/dbraw/zinc/05/83/98/340058398.db2.gz JLSGNARJUKEPEU-QGZVFWFLSA-N 2 0 318.505 3.715 20 0 DHADRP Cc1ccc(CC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501082650 340074078 /nfs/dbraw/zinc/07/40/78/340074078.db2.gz SLGWHFQCLPQZTB-UHFFFAOYSA-N 2 0 323.484 3.781 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000501440209 340081092 /nfs/dbraw/zinc/08/10/92/340081092.db2.gz YQBHWFCAUIVRKD-GOSISDBHSA-N 2 0 318.505 3.966 20 0 DHADRP CCC(CC)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCCC1 ZINC000502265808 340098183 /nfs/dbraw/zinc/09/81/83/340098183.db2.gz CIAFSYRZKWMERH-RTBURBONSA-N 2 0 322.537 3.826 20 0 DHADRP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CCCN1C1CCCCC1 ZINC000502326696 340099931 /nfs/dbraw/zinc/09/99/31/340099931.db2.gz OLULMAFXSUILAT-OALUTQOASA-N 2 0 320.521 3.722 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000502447243 340103864 /nfs/dbraw/zinc/10/38/64/340103864.db2.gz SLRZDDAQYYDJKC-YSIASYRMSA-N 2 0 318.505 3.692 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCOC)c1 ZINC000502688636 340110763 /nfs/dbraw/zinc/11/07/63/340110763.db2.gz YBOGAMHTCUTIAO-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP CN(CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1Cl ZINC000502717162 340111854 /nfs/dbraw/zinc/11/18/54/340111854.db2.gz WYUKRIXQQPVHGI-CYBMUJFWSA-N 2 0 301.261 3.910 20 0 DHADRP CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1Cl ZINC000502717163 340111884 /nfs/dbraw/zinc/11/18/84/340111884.db2.gz WYUKRIXQQPVHGI-ZDUSSCGKSA-N 2 0 301.261 3.910 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000502725613 340112394 /nfs/dbraw/zinc/11/23/94/340112394.db2.gz XXXXOICSMOIJTE-XUVXKRRUSA-N 2 0 322.537 3.826 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000503597013 340131981 /nfs/dbraw/zinc/13/19/81/340131981.db2.gz DWFQHJBYRJRJLY-UHFFFAOYSA-N 2 0 310.416 3.844 20 0 DHADRP CC(C)COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000503953313 340138545 /nfs/dbraw/zinc/13/85/45/340138545.db2.gz SSYYTMOVLWMXQA-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCS2 ZINC000400921714 340157801 /nfs/dbraw/zinc/15/78/01/340157801.db2.gz JXUGZZVQOQEJQB-ZNEHSRBWSA-N 2 0 322.905 3.855 20 0 DHADRP c1csc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CCCC2)c1 ZINC000401071343 340162104 /nfs/dbraw/zinc/16/21/04/340162104.db2.gz AUSKHGRKMFUBIJ-BVIKNXMNSA-N 2 0 304.503 3.957 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506462809 340194981 /nfs/dbraw/zinc/19/49/81/340194981.db2.gz KHKCYNAQEUPKJH-UHFFFAOYSA-N 2 0 318.505 3.637 20 0 DHADRP FC(F)(F)CCN1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000507446392 340220016 /nfs/dbraw/zinc/22/00/16/340220016.db2.gz TYCJMTPMVACQMH-DAXSKMNVSA-N 2 0 312.379 3.706 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000507470481 340221271 /nfs/dbraw/zinc/22/12/71/340221271.db2.gz MVOSFELVPIXZDZ-SJORKVTESA-N 2 0 303.494 3.807 20 0 DHADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CCO1 ZINC000507808849 340232454 /nfs/dbraw/zinc/23/24/54/340232454.db2.gz WVEZRSLTVCKOPQ-YSTOQKLRSA-N 2 0 322.537 3.778 20 0 DHADRP C[C@@H](F)CC[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000509133597 340261907 /nfs/dbraw/zinc/26/19/07/340261907.db2.gz AOPMFIYSLUBJKD-QAPCUYQASA-N 2 0 306.469 3.797 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510652514 340305151 /nfs/dbraw/zinc/30/51/51/340305151.db2.gz PDQPPFTXUVBVOF-OAHLLOKOSA-N 2 0 324.459 3.998 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000510668411 340305842 /nfs/dbraw/zinc/30/58/42/340305842.db2.gz IWEKTFSGPQDGGW-NRSPTQNISA-N 2 0 312.501 3.719 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)C[NH+]1CCCC1 ZINC000510674533 340306029 /nfs/dbraw/zinc/30/60/29/340306029.db2.gz ISVPXVGXXXHBOL-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP CC(C)N1C[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000510729244 340308383 /nfs/dbraw/zinc/30/83/83/340308383.db2.gz CRKTXPAHHHITOY-IYOUNJFTSA-N 2 0 310.432 3.604 20 0 DHADRP COCC[C@H]([NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979606 340316957 /nfs/dbraw/zinc/31/69/57/340316957.db2.gz VTMQAKSCQSUXAG-NEWSRXKRSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@@H](CC[NH2+]C/C=C/c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000511937711 340343191 /nfs/dbraw/zinc/34/31/91/340343191.db2.gz JEQWMLMKLRURJX-NFAHFFEMSA-N 2 0 308.416 3.832 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C(C)(C)C ZINC000512050636 340346708 /nfs/dbraw/zinc/34/67/08/340346708.db2.gz CYTBOWNTDYOUTG-DKRLNXSXSA-N 2 0 310.432 3.934 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000512061468 340347213 /nfs/dbraw/zinc/34/72/13/340347213.db2.gz YAAIPKJPBLRIQN-ONEGZZNKSA-N 2 0 308.416 3.690 20 0 DHADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C[C@H]1OC ZINC000512318381 340356742 /nfs/dbraw/zinc/35/67/42/340356742.db2.gz OTVRSSKTEZWGOS-PSBWJHGTSA-N 2 0 322.537 3.823 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513234312 340398715 /nfs/dbraw/zinc/39/87/15/340398715.db2.gz VORVUWHSSRMIQH-SXLOBPIMSA-N 2 0 324.553 3.806 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000513679666 340419009 /nfs/dbraw/zinc/41/90/09/340419009.db2.gz ZAEOHIXWZLKZFS-FAEJEUNOSA-N 2 0 304.478 3.997 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000189248049 340531439 /nfs/dbraw/zinc/53/14/39/340531439.db2.gz ZLKYBBWNDVZNHN-PYXOFJJQSA-N 2 0 322.537 3.824 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191311679 340552579 /nfs/dbraw/zinc/55/25/79/340552579.db2.gz RRYHTLDVNUEWGP-HNNXBMFYSA-N 2 0 320.525 3.719 20 0 DHADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000192570277 340567879 /nfs/dbraw/zinc/56/78/79/340567879.db2.gz QMSGVLLOBAHOLE-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000316468639 340686013 /nfs/dbraw/zinc/68/60/13/340686013.db2.gz QMDVNFXAAQXMIG-MRXNPFEDSA-N 2 0 304.478 3.701 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC(F)(F)C1 ZINC000529542291 340761600 /nfs/dbraw/zinc/76/16/00/340761600.db2.gz IXSRNMHLKXPZFJ-CYBMUJFWSA-N 2 0 300.437 3.807 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2Cl)[C@H](C)C1 ZINC000542209960 341000122 /nfs/dbraw/zinc/00/01/22/341000122.db2.gz QQLOFZABZZIKRC-CRAIPNDOSA-N 2 0 308.897 3.935 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000130392432 341020641 /nfs/dbraw/zinc/02/06/41/341020641.db2.gz IKAFFNUYBCDROE-KBPBESRZSA-N 2 0 306.416 3.819 20 0 DHADRP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCC[NH+]2CCCC2)c1 ZINC000543179164 341035522 /nfs/dbraw/zinc/03/55/22/341035522.db2.gz VOKVWZRUASWJFL-APWZRJJASA-N 2 0 302.462 3.564 20 0 DHADRP CN(C/C=C\c1ccc(F)cc1F)CC[C@H]1CCCC[N@@H+]1C ZINC000543632337 341052178 /nfs/dbraw/zinc/05/21/78/341052178.db2.gz UCFPSIOUMDGXMB-KEGWNNHHSA-N 2 0 308.416 3.784 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC000130919006 341054106 /nfs/dbraw/zinc/05/41/06/341054106.db2.gz BCONQTKFMSYSBF-IEBWSBKVSA-N 2 0 308.510 3.604 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000543844513 341061383 /nfs/dbraw/zinc/06/13/83/341061383.db2.gz RYIFGNJXGWEANM-IBGZPJMESA-N 2 0 314.517 3.844 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000543873045 341062162 /nfs/dbraw/zinc/06/21/62/341062162.db2.gz LOOMCROSHPBKRS-FQEVSTJZSA-N 3 0 323.569 3.695 20 0 DHADRP CN(C)c1cc[nH+]cc1CNCc1c(Cl)cccc1Cl ZINC000545341465 341122494 /nfs/dbraw/zinc/12/24/94/341122494.db2.gz BOHPHTSZUYFKBK-UHFFFAOYSA-N 2 0 310.228 3.744 20 0 DHADRP Cc1ccc(SC[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000546017854 341151421 /nfs/dbraw/zinc/15/14/21/341151421.db2.gz CJLSLIFFIPIXNU-INIZCTEOSA-N 2 0 318.530 3.940 20 0 DHADRP COc1ccc([C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C2CC2)cc1 ZINC000546226699 341158055 /nfs/dbraw/zinc/15/80/55/341158055.db2.gz AMDRSABKPYFZIG-LJQANCHMSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccoc1 ZINC000134044281 341205232 /nfs/dbraw/zinc/20/52/32/341205232.db2.gz IDGRVWJRVNNJCG-INIZCTEOSA-N 2 0 314.429 3.605 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000134158194 341208048 /nfs/dbraw/zinc/20/80/48/341208048.db2.gz DDVYZLYMTLTFJR-UHFFFAOYSA-N 2 0 314.477 3.507 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261539901 341282084 /nfs/dbraw/zinc/28/20/84/341282084.db2.gz DHLZCPCPUDBTOZ-RTBURBONSA-N 2 0 310.441 3.625 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CCC2 ZINC000245501107 341297841 /nfs/dbraw/zinc/29/78/41/341297841.db2.gz ALMARLXULLIQIB-HNAYVOBHSA-N 2 0 302.437 3.621 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549839915 341304567 /nfs/dbraw/zinc/30/45/67/341304567.db2.gz CVKYIBGAGGQLPO-KDOFPFPSSA-N 2 0 324.415 3.767 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245892682 341317498 /nfs/dbraw/zinc/31/74/98/341317498.db2.gz MKQPOYFYWVIHRO-IPMKNSEASA-N 2 0 322.537 3.538 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](CSc2ccccc2)C(C)C)C1 ZINC000245934420 341318862 /nfs/dbraw/zinc/31/88/62/341318862.db2.gz IUJARDMQKPOKKC-SJLPKXTDSA-N 2 0 306.519 3.735 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000550829062 341323738 /nfs/dbraw/zinc/32/37/38/341323738.db2.gz RMZGZXOEAGFABQ-GBBGEASQSA-N 2 0 302.437 3.534 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H](C)C1 ZINC000550847338 341324240 /nfs/dbraw/zinc/32/42/40/341324240.db2.gz LWJMLDDPYIKPMX-IAGOWNOFSA-N 2 0 312.542 3.785 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1N(C)C ZINC000551263511 341335926 /nfs/dbraw/zinc/33/59/26/341335926.db2.gz RVLVCPJBXNZNME-QGZVFWFLSA-N 2 0 303.494 3.669 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000551529136 341343964 /nfs/dbraw/zinc/34/39/64/341343964.db2.gz CBNMVLFCIAVSCV-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000246455348 341349286 /nfs/dbraw/zinc/34/92/86/341349286.db2.gz PMNJIJTVMPBLEY-AZUAARDMSA-N 2 0 318.505 3.530 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000261550880 341352300 /nfs/dbraw/zinc/35/23/00/341352300.db2.gz PUNWGIXWRHPJCA-RBUKOAKNSA-N 2 0 310.441 3.625 20 0 DHADRP c1ccc(SCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247005214 341359695 /nfs/dbraw/zinc/35/96/95/341359695.db2.gz XCNAOWGDBIVDQC-QFBILLFUSA-N 2 0 316.514 3.727 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccs1 ZINC000247026503 341360044 /nfs/dbraw/zinc/36/00/44/341360044.db2.gz NGHQARCIHPZNTG-JYJNAYRXSA-N 2 0 310.507 3.678 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000247175409 341361871 /nfs/dbraw/zinc/36/18/71/341361871.db2.gz YUOJGBPMYYIPPF-AZUAARDMSA-N 2 0 300.490 3.718 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000552052760 341365450 /nfs/dbraw/zinc/36/54/50/341365450.db2.gz CDPRCVCHJIXDJB-GBBGEASQSA-N 2 0 302.437 3.534 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247970770 341371699 /nfs/dbraw/zinc/37/16/99/341371699.db2.gz HHWYAMZVUOGJNC-GOEBONIOSA-N 2 0 312.379 3.622 20 0 DHADRP CC(C)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248165981 341374130 /nfs/dbraw/zinc/37/41/30/341374130.db2.gz SYIMFDLVKSMTHR-IRXDYDNUSA-N 2 0 324.534 3.662 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c[nH]c21 ZINC000248168475 341374351 /nfs/dbraw/zinc/37/43/51/341374351.db2.gz UFPLHCDYGDQRGC-SPYBWZPUSA-N 2 0 313.489 3.591 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000552239908 341380535 /nfs/dbraw/zinc/38/05/35/341380535.db2.gz AEHCQRFSTOITNZ-CQSZACIVSA-N 2 0 322.443 3.750 20 0 DHADRP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248632765 341382250 /nfs/dbraw/zinc/38/22/50/341382250.db2.gz INYXWTFPKVKYNX-ULQDDVLXSA-N 2 0 304.503 3.692 20 0 DHADRP CN(CCC[N@H+](C)CCCc1ccccc1)Cc1ccco1 ZINC000552268587 341382418 /nfs/dbraw/zinc/38/24/18/341382418.db2.gz RIVQMUSUEHWQRM-UHFFFAOYSA-N 2 0 300.446 3.666 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000248711759 341384967 /nfs/dbraw/zinc/38/49/67/341384967.db2.gz BKCSWRHDOKIQQG-CVEARBPZSA-N 2 0 304.478 3.856 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1(C)C ZINC000248799783 341387132 /nfs/dbraw/zinc/38/71/32/341387132.db2.gz JOGHNWZRPCVBBC-KCITZHQASA-N 2 0 322.537 3.821 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000249030187 341392250 /nfs/dbraw/zinc/39/22/50/341392250.db2.gz SIZAMPUNZBOACM-KGLIPLIRSA-N 2 0 324.871 3.973 20 0 DHADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215643 341402689 /nfs/dbraw/zinc/40/26/89/341402689.db2.gz CIQNGTJFRDCJMM-HRAATJIYSA-N 2 0 321.468 3.821 20 0 DHADRP C[C@H]([NH2+]CC1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000552893957 341408067 /nfs/dbraw/zinc/40/80/67/341408067.db2.gz BFNGDXVREINUTL-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000554734272 341462570 /nfs/dbraw/zinc/46/25/70/341462570.db2.gz IDRMPFYMPQXYKS-KKSFZXQISA-N 2 0 324.468 3.965 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccc(C)cc2C)CC[NH+](C)CC1 ZINC000564433267 341501750 /nfs/dbraw/zinc/50/17/50/341501750.db2.gz WUMOLAXTOYGPLA-MRXNPFEDSA-N 2 0 306.519 3.781 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]CC3(C)CC[NH+](C)CC3)oc21 ZINC000272624457 341629381 /nfs/dbraw/zinc/62/93/81/341629381.db2.gz YYVWCFBNAVFBFK-CQSZACIVSA-N 2 0 316.445 3.824 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)OCO2 ZINC000158161702 341652658 /nfs/dbraw/zinc/65/26/58/341652658.db2.gz LHKTVMMYWWUDJY-MRXNPFEDSA-N 2 0 318.461 3.578 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCOC1 ZINC000163943167 341702022 /nfs/dbraw/zinc/70/20/22/341702022.db2.gz RCVVPWLSMJOCBJ-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000576847091 341866159 /nfs/dbraw/zinc/86/61/59/341866159.db2.gz VXFNTIQVPYJYPD-GOSISDBHSA-N 2 0 304.478 3.776 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000337282261 519773291 /nfs/dbraw/zinc/77/32/91/519773291.db2.gz IFSRYLUDAVJWLP-SFHVURJKSA-N 2 0 318.505 3.822 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(C)(C)O1 ZINC000157549917 520554315 /nfs/dbraw/zinc/55/43/15/520554315.db2.gz USGDAVQOUHWYMK-KRWDZBQOSA-N 2 0 308.510 3.719 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337340749 521007963 /nfs/dbraw/zinc/00/79/63/521007963.db2.gz PRUSWGSSVHNDOC-AZUAARDMSA-N 2 0 315.505 3.819 20 0 DHADRP CC[C@@H](CSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180171488 522612159 /nfs/dbraw/zinc/61/21/59/522612159.db2.gz DYHWKHMAHHIFPK-QBUWPKIASA-N 2 0 318.530 3.913 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)c1cnn(C)c1 ZINC000163758834 522654706 /nfs/dbraw/zinc/65/47/06/522654706.db2.gz VKKGTNAMMHCEKG-IBGZPJMESA-N 2 0 314.477 3.503 20 0 DHADRP COCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180116760 523131953 /nfs/dbraw/zinc/13/19/53/523131953.db2.gz AHLXFSLAOWCPCX-IHWFROFDSA-N 2 0 316.489 3.588 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159175786 523298692 /nfs/dbraw/zinc/29/86/92/523298692.db2.gz SSVNBMSUFWFMLS-OXJNMPFZSA-N 2 0 316.489 3.716 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccncc3)CC2)cc1 ZINC000365661221 524439608 /nfs/dbraw/zinc/43/96/08/524439608.db2.gz PFKJGYNBXUKBPK-GOSISDBHSA-N 2 0 323.484 3.953 20 0 DHADRP C[C@H]1CSC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367708119 524763528 /nfs/dbraw/zinc/76/35/28/524763528.db2.gz NVGIYHIRHCXNPL-GWFLUQINSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124185962 524913143 /nfs/dbraw/zinc/91/31/43/524913143.db2.gz IYQMUDGABDPQKQ-TXCZRRACSA-N 2 0 302.462 3.607 20 0 DHADRP Cc1ccccc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000157127956 525168491 /nfs/dbraw/zinc/16/84/91/525168491.db2.gz AMYRMTWFELSZBF-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccnc1Cl ZINC000158171519 525435575 /nfs/dbraw/zinc/43/55/75/525435575.db2.gz NDAOOKBTFNNXRF-OAHLLOKOSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1 ZINC000336826934 525439990 /nfs/dbraw/zinc/43/99/90/525439990.db2.gz YKQFTJCDQCTQNA-XUJVJEKNSA-N 2 0 308.516 3.747 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000157658658 525463283 /nfs/dbraw/zinc/46/32/83/525463283.db2.gz HYXZLKVTDGQVGN-FUHIMQAGSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000124300597 525533232 /nfs/dbraw/zinc/53/32/32/525533232.db2.gz FVYJCYADUPFREO-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP c1ccc(COCCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000182403850 526473607 /nfs/dbraw/zinc/47/36/07/526473607.db2.gz VWMSNFYRCLWAJM-FQEVSTJZSA-N 2 0 316.489 3.544 20 0 DHADRP CCCOC1CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001173091418 1033521262 /nfs/dbraw/zinc/52/12/62/1033521262.db2.gz SDBLBWBMZMZACJ-UHFFFAOYSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894356412 1013078437 /nfs/dbraw/zinc/07/84/37/1013078437.db2.gz JFQDUMDGUXUCJI-UHFFFAOYSA-N 2 0 318.486 3.817 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C[C@@](C)(C[NH3+])C1 ZINC001168407040 1013107579 /nfs/dbraw/zinc/10/75/79/1013107579.db2.gz MCQASGRNTWVRBY-CMKODMSKSA-N 2 0 318.480 3.816 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cnn(C2CCC2)c1 ZINC000925048642 1013196510 /nfs/dbraw/zinc/19/65/10/1013196510.db2.gz JHZWEVLTVFLCPE-KRWDZBQOSA-N 2 0 318.509 3.915 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000120590940 1013304299 /nfs/dbraw/zinc/30/42/99/1013304299.db2.gz LLMBCPGRPGJZCT-STQMWFEESA-N 2 0 312.404 3.669 20 0 DHADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccnc1 ZINC001167967053 1013338152 /nfs/dbraw/zinc/33/81/52/1013338152.db2.gz ALCKMGRNPLEKOC-NXEWRWPSSA-N 2 0 313.489 3.774 20 0 DHADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000262042982 1013410214 /nfs/dbraw/zinc/41/02/14/1013410214.db2.gz CBELVYHFOXLUKS-GUDVDZBRSA-N 2 0 304.453 3.577 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000315364915 1013411321 /nfs/dbraw/zinc/41/13/21/1013411321.db2.gz CCHOIHYEAQEWBT-CHWSQXEVSA-N 2 0 312.404 3.669 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414907634 1013463591 /nfs/dbraw/zinc/46/35/91/1013463591.db2.gz AUCRYIIHMNRLTF-STQMWFEESA-N 2 0 306.759 3.718 20 0 DHADRP CC1(C)C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC1(F)F ZINC001167985508 1013524202 /nfs/dbraw/zinc/52/42/02/1013524202.db2.gz XCWWVOTXKKZOHJ-XYPWUTKMSA-N 2 0 312.448 3.759 20 0 DHADRP C[C@@H]1SCC[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000340372232 1013525674 /nfs/dbraw/zinc/52/56/74/1013525674.db2.gz WLRUNVNIGNSZDS-JQHSSLGASA-N 2 0 304.503 3.649 20 0 DHADRP C[NH+](C/C=C\C[N@@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1 ZINC000255518266 1013562172 /nfs/dbraw/zinc/56/21/72/1013562172.db2.gz QWGMMBLZHNVTCP-ARJAWSKDSA-N 2 0 302.506 3.783 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655721150 1013664821 /nfs/dbraw/zinc/66/48/21/1013664821.db2.gz LRUAYDATESWTAY-RDTXWAMCSA-N 2 0 321.428 3.563 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000520206046 1013675454 /nfs/dbraw/zinc/67/54/54/1013675454.db2.gz RYUVYLJLJSEEGO-HDICACEKSA-N 2 0 318.505 3.931 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655757631 1013693405 /nfs/dbraw/zinc/69/34/05/1013693405.db2.gz VQCGOOSWDNOBRR-WSTZPKSXSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCS2 ZINC000655805488 1013728219 /nfs/dbraw/zinc/72/82/19/1013728219.db2.gz OHWAGEYMILJERK-HLLBOEOZSA-N 2 0 304.503 3.770 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1sccc1Br ZINC000655806294 1013728553 /nfs/dbraw/zinc/72/85/53/1013728553.db2.gz UMPMNNPCHDMAPY-MXWKQRLJSA-N 2 0 317.296 3.501 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804961 1013723533 /nfs/dbraw/zinc/72/35/33/1013723533.db2.gz HEVZTIAAYGTRDK-UKPHBRMFSA-N 2 0 322.880 3.792 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000121592129 1013723840 /nfs/dbraw/zinc/72/38/40/1013723840.db2.gz COLHLSLVUFHQCH-APWZRJJASA-N 2 0 324.468 3.618 20 0 DHADRP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655803196 1013727216 /nfs/dbraw/zinc/72/72/16/1013727216.db2.gz NANWDLRLYDXSBK-HHXXYDBFSA-N 2 0 304.478 3.712 20 0 DHADRP CCCCCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655826799 1013746525 /nfs/dbraw/zinc/74/65/25/1013746525.db2.gz ZCENWGHBXOGLHE-HDICACEKSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655847822 1013774262 /nfs/dbraw/zinc/77/42/62/1013774262.db2.gz DESIXWQGWMMVKS-RBUKOAKNSA-N 2 0 308.510 3.721 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@H]1CCCCO1 ZINC000655849058 1013779450 /nfs/dbraw/zinc/77/94/50/1013779450.db2.gz MEEPDWODHKIFHE-GSEOLPGOSA-N 2 0 322.537 3.967 20 0 DHADRP COC1(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000340442001 1013796246 /nfs/dbraw/zinc/79/62/46/1013796246.db2.gz SQUQWKQBJBTZBN-AEFFLSMTSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000449157877 1013834910 /nfs/dbraw/zinc/83/49/10/1013834910.db2.gz WTYRZMCHMBHLQH-ZACQAIPSSA-N 2 0 308.510 3.575 20 0 DHADRP c1ccc(C[C@H]2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000189053798 1013905264 /nfs/dbraw/zinc/90/52/64/1013905264.db2.gz KTPIIKAYINRUGE-CTNGQTDRSA-N 2 0 312.501 3.862 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683765548 1013968737 /nfs/dbraw/zinc/96/87/37/1013968737.db2.gz VJINXXYUGCGWNG-IAGOWNOFSA-N 2 0 311.473 3.692 20 0 DHADRP c1cc2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)ccc2cn1 ZINC000683767167 1013972208 /nfs/dbraw/zinc/97/22/08/1013972208.db2.gz MCBSEJMZUZOIPQ-UHFFFAOYSA-N 2 0 323.484 3.979 20 0 DHADRP Clc1ccc(CC[NH2+]C2CCN(C3CC3)CC2)c(Cl)c1 ZINC000312766220 1014078750 /nfs/dbraw/zinc/07/87/50/1014078750.db2.gz NZOWTURLIPSIQI-UHFFFAOYSA-N 2 0 313.272 3.752 20 0 DHADRP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198738 1014105280 /nfs/dbraw/zinc/10/52/80/1014105280.db2.gz GULFIMAHTIXJSY-IPYPFGDCSA-N 2 0 300.368 3.848 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000580460999 1014143531 /nfs/dbraw/zinc/14/35/31/1014143531.db2.gz GAJPVFFWVYETFU-DOMZBBRYSA-N 2 0 304.821 3.912 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C1 ZINC000128088771 1014162004 /nfs/dbraw/zinc/16/20/04/1014162004.db2.gz JHXGEUCPKNFXGX-HNNXBMFYSA-N 2 0 315.436 3.850 20 0 DHADRP C[N@H+](Cc1ccc(Cl)c2cccnc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262317372 1014217626 /nfs/dbraw/zinc/21/76/26/1014217626.db2.gz QKQFKDVPPYTLHD-YIONKMFJSA-N 2 0 315.848 3.603 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C[C@H](C)O1 ZINC001167424369 1014254776 /nfs/dbraw/zinc/25/47/76/1014254776.db2.gz HSKWCKQQXXLHCD-SLHNCBLASA-N 2 0 322.537 3.776 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763530 1032087942 /nfs/dbraw/zinc/08/79/42/1032087942.db2.gz FDOYDBDZMXDUKV-GQIGUUNPSA-N 2 0 309.457 3.882 20 0 DHADRP C[C@H]([NH3+])c1nccn1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005595 1014404990 /nfs/dbraw/zinc/40/49/90/1014404990.db2.gz KCIYLWSBDZISRG-DFGXFYAUSA-N 2 0 312.461 3.517 20 0 DHADRP C[C@H]1CC([NH2+]C2CC(F)(F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007748 1014439041 /nfs/dbraw/zinc/43/90/41/1014439041.db2.gz UHNFCDWCPMLIPK-KBPBESRZSA-N 2 0 308.416 3.815 20 0 DHADRP C[C@H]1CC([NH2+]CCc2ccncc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007949 1014443048 /nfs/dbraw/zinc/44/30/48/1014443048.db2.gz VQSBQCYKHNPDLY-ROUUACIJSA-N 2 0 323.484 3.655 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237619 1014510434 /nfs/dbraw/zinc/51/04/34/1014510434.db2.gz FPJMGVJKKUPXDU-YOEHRIQHSA-N 2 0 300.471 3.893 20 0 DHADRP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665246089 1014533047 /nfs/dbraw/zinc/53/30/47/1014533047.db2.gz YSSXSCGNOZJAMA-PZJWPPBQSA-N 2 0 322.452 3.649 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000581147236 1014590569 /nfs/dbraw/zinc/59/05/69/1014590569.db2.gz YSKBBHOGLYNPNC-FQEVSTJZSA-N 2 0 300.490 3.638 20 0 DHADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000581157746 1014593697 /nfs/dbraw/zinc/59/36/97/1014593697.db2.gz FPLVYIULMQIDTM-QGZVFWFLSA-N 2 0 318.505 3.931 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)c(F)cc2F)CC1 ZINC001168299340 1032096773 /nfs/dbraw/zinc/09/67/73/1032096773.db2.gz LMBSHYYMUBZCBQ-UHFFFAOYSA-N 2 0 302.796 3.581 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000581205523 1014612963 /nfs/dbraw/zinc/61/29/63/1014612963.db2.gz OQWOXNXFLOKDDF-ATZDWAIDSA-N 2 0 304.478 3.509 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000665273452 1014635326 /nfs/dbraw/zinc/63/53/26/1014635326.db2.gz XMEXPUVFFOYXIS-KOLCDFICSA-N 2 0 320.321 3.900 20 0 DHADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000152674683 1014649080 /nfs/dbraw/zinc/64/90/80/1014649080.db2.gz ZDZSBKJSXMALGY-YJBOKZPZSA-N 2 0 302.462 3.711 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)NCC12CC(C1)C[NH2+]2 ZINC000665277709 1014656209 /nfs/dbraw/zinc/65/62/09/1014656209.db2.gz JMSHIARUPJKNRD-UGWHAMFMSA-N 2 0 310.894 3.552 20 0 DHADRP CCC[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000639216845 1014657822 /nfs/dbraw/zinc/65/78/22/1014657822.db2.gz NTBPKFPYSAVXCJ-MISYRCLQSA-N 2 0 316.489 3.759 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000665279320 1014663522 /nfs/dbraw/zinc/66/35/22/1014663522.db2.gz AEOKQMMINCXRDA-ORTQGIPQSA-N 2 0 324.390 3.683 20 0 DHADRP CC(C)[C@H]([NH3+])CCN[C@H](C)c1sccc1Br ZINC000665280713 1014668158 /nfs/dbraw/zinc/66/81/58/1014668158.db2.gz JHIMYMGJDNIHAC-MWLCHTKSSA-N 2 0 305.285 3.535 20 0 DHADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(F)cc1Br ZINC000665280837 1014670291 /nfs/dbraw/zinc/67/02/91/1014670291.db2.gz MWNCXXIEMACOTB-IINYFYTJSA-N 2 0 317.246 3.612 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000665280692 1014671219 /nfs/dbraw/zinc/67/12/19/1014671219.db2.gz JCKFZQQPVDWDTE-BXUZGUMPSA-N 2 0 304.356 3.609 20 0 DHADRP c1ccc(CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000656471476 1014701303 /nfs/dbraw/zinc/70/13/03/1014701303.db2.gz PTBRRSKGAWNVFG-UHFFFAOYSA-N 2 0 309.457 3.663 20 0 DHADRP C[N@H+](CCCc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759557 1014726680 /nfs/dbraw/zinc/72/66/80/1014726680.db2.gz DPIKCGZZOZHMCA-YOFSQIOKSA-N 2 0 308.469 3.987 20 0 DHADRP CSc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000442849690 1014745885 /nfs/dbraw/zinc/74/58/85/1014745885.db2.gz CLGJMZZVRDMJNL-HZPDHXFCSA-N 2 0 322.518 3.560 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C)nc2)CC1)CC(C)C ZINC000349403536 1014766081 /nfs/dbraw/zinc/76/60/81/1014766081.db2.gz CMLKSHVFRGAMRL-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000442918506 1014772819 /nfs/dbraw/zinc/77/28/19/1014772819.db2.gz GZYSQNMPQBERIA-LLVKDONJSA-N 2 0 318.795 3.502 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000442928589 1014773063 /nfs/dbraw/zinc/77/30/63/1014773063.db2.gz PZIMDBKQTOFNLQ-INIZCTEOSA-N 2 0 302.462 3.569 20 0 DHADRP CS[C@H](C)CC[N@@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001279486163 1014789099 /nfs/dbraw/zinc/78/90/99/1014789099.db2.gz OFDAGTKLJZYMRS-MRXNPFEDSA-N 2 0 318.530 3.607 20 0 DHADRP CC(C)[NH2+]CCCN[C@@H](C)c1sccc1Br ZINC000581423326 1014845060 /nfs/dbraw/zinc/84/50/60/1014845060.db2.gz BICWRICKXIMTGD-JTQLQIEISA-N 2 0 305.285 3.549 20 0 DHADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccsc1 ZINC000191202371 1014906850 /nfs/dbraw/zinc/90/68/50/1014906850.db2.gz ZFHFJYLVFBLXFY-GOSISDBHSA-N 2 0 323.550 3.597 20 0 DHADRP Cc1ccc(SCC[N@H+](C)CCCn2ccnc2)cc1C ZINC000341129793 1014921496 /nfs/dbraw/zinc/92/14/96/1014921496.db2.gz QVTDWIGRZFVDFF-UHFFFAOYSA-N 2 0 303.475 3.614 20 0 DHADRP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CCC[NH2+]CC3)CCC2)cc1 ZINC000622043728 1014956695 /nfs/dbraw/zinc/95/66/95/1014956695.db2.gz JBFCFHUNZRLKRB-OAHLLOKOSA-N 2 0 312.379 3.816 20 0 DHADRP CCOC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000474087543 1014990618 /nfs/dbraw/zinc/99/06/18/1014990618.db2.gz GVERNENUIXMUBL-WDSOQIARSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccc(-c2ncc(CNCC[C@H](C)[NH+](C)C)s2)cc1 ZINC000895297766 1015028420 /nfs/dbraw/zinc/02/84/20/1015028420.db2.gz OKWBARKYEGXQEN-AWEZNQCLSA-N 2 0 303.475 3.548 20 0 DHADRP CC[NH+](CC)C[C@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000443606615 1015029439 /nfs/dbraw/zinc/02/94/39/1015029439.db2.gz SWJLTUSUIWQJTF-RDTXWAMCSA-N 2 0 306.881 3.991 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000895453921 1015155186 /nfs/dbraw/zinc/15/51/86/1015155186.db2.gz GAJXVWPWYCPCMU-UHFFFAOYSA-N 2 0 318.486 3.959 20 0 DHADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000656783866 1015157404 /nfs/dbraw/zinc/15/74/04/1015157404.db2.gz AWTVDNKXYFLIKH-INIZCTEOSA-N 2 0 322.880 3.560 20 0 DHADRP FC(F)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656784448 1015157464 /nfs/dbraw/zinc/15/74/64/1015157464.db2.gz BBLGXXJVIDFPSR-KRWDZBQOSA-N 2 0 308.416 3.836 20 0 DHADRP [NH3+]CCCCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC001205000185 1015161237 /nfs/dbraw/zinc/16/12/37/1015161237.db2.gz ABHFUQOQZWTUMU-OAHLLOKOSA-N 2 0 311.267 3.715 20 0 DHADRP Cc1ccncc1CCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895684013 1015262388 /nfs/dbraw/zinc/26/23/88/1015262388.db2.gz ZJDKGROEZLKKMG-UHFFFAOYSA-N 2 0 303.494 3.521 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000895868486 1015341214 /nfs/dbraw/zinc/34/12/14/1015341214.db2.gz DWULMZPYBKWUJX-SFHVURJKSA-N 2 0 316.489 3.607 20 0 DHADRP CC(C)C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000474463337 1015379368 /nfs/dbraw/zinc/37/93/68/1015379368.db2.gz YWQPGBHHGHVTEB-HKUYNNGSSA-N 2 0 300.490 3.890 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[NH+](C)C)cc1 ZINC000581853489 1015380833 /nfs/dbraw/zinc/38/08/33/1015380833.db2.gz GRTPHGNWHGZMAS-HXUWFJFHSA-N 2 0 312.457 3.520 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000474480576 1015391581 /nfs/dbraw/zinc/39/15/81/1015391581.db2.gz DUZVVOWNQLZQPP-HOTGVXAUSA-N 2 0 324.896 3.534 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)C1CCC1 ZINC000474485841 1015395241 /nfs/dbraw/zinc/39/52/41/1015395241.db2.gz FXCPOZDMFOWMPC-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000522443211 1015400249 /nfs/dbraw/zinc/40/02/49/1015400249.db2.gz VCZOBBSHCYLTET-UHFFFAOYSA-N 2 0 300.490 3.728 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnn2C2CCC2)CC1 ZINC000891611465 1015445931 /nfs/dbraw/zinc/44/59/31/1015445931.db2.gz MIRLIMPLXVIHSU-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP Cc1cccnc1CCC[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000453308010 1015550089 /nfs/dbraw/zinc/55/00/89/1015550089.db2.gz MLPJIGCGQXFQPP-PZJWPPBQSA-N 2 0 323.484 3.748 20 0 DHADRP C[C@H]1CC(N2CCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041833 1015605812 /nfs/dbraw/zinc/60/58/12/1015605812.db2.gz VZGDILUZSHMTFH-IRXDYDNUSA-N 2 0 316.489 3.539 20 0 DHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC000645492544 1015623881 /nfs/dbraw/zinc/62/38/81/1015623881.db2.gz AXBCVDCKVZWBHV-SFHVURJKSA-N 2 0 306.881 3.663 20 0 DHADRP Cc1ccncc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474880760 1015680512 /nfs/dbraw/zinc/68/05/12/1015680512.db2.gz UIIGQOQYEARZOI-AZUAARDMSA-N 2 0 323.484 3.780 20 0 DHADRP CCCC[C@H]([NH2+]CCn1ccnc1C)c1ccc(OC)cc1 ZINC000341792414 1015735384 /nfs/dbraw/zinc/73/53/84/1015735384.db2.gz UPBJCKLDEKWDCX-SFHVURJKSA-N 2 0 301.434 3.721 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000581997048 1015772815 /nfs/dbraw/zinc/77/28/15/1015772815.db2.gz KUNUMRMXQDRGKF-FRRDWIJNSA-N 2 0 300.899 3.871 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000772956987 1032126846 /nfs/dbraw/zinc/12/68/46/1032126846.db2.gz KVXJFZFKHMAREX-QGZVFWFLSA-N 2 0 311.473 3.692 20 0 DHADRP C[NH+](C)CCc1ccc(CNc2cc[nH+]c3c(O)cccc23)cc1 ZINC000684590014 1015806059 /nfs/dbraw/zinc/80/60/59/1015806059.db2.gz XJQXXDFXOODLQK-UHFFFAOYSA-N 2 0 321.424 3.657 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000277059935 1015860617 /nfs/dbraw/zinc/86/06/17/1015860617.db2.gz OPNOXHCFQCRZBI-QGZVFWFLSA-N 2 0 320.525 3.526 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277175743 1016010620 /nfs/dbraw/zinc/01/06/20/1016010620.db2.gz KWUGKMHMKFHRNK-ZFWWWQNUSA-N 2 0 312.404 3.765 20 0 DHADRP c1cc2c(cccc2C[NH2+]C2CC[NH+](CC3CCCC3)CC2)[nH]1 ZINC000236623740 1016013780 /nfs/dbraw/zinc/01/37/80/1016013780.db2.gz JIVRMCOSQFQXBF-UHFFFAOYSA-N 2 0 311.473 3.912 20 0 DHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342187798 1016112087 /nfs/dbraw/zinc/11/20/87/1016112087.db2.gz RDTXNPHLRYRCPK-LJQANCHMSA-N 2 0 322.537 3.706 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC000178500587 1017179639 /nfs/dbraw/zinc/17/96/39/1017179639.db2.gz XTHFEDAYWGBCND-IEBWSBKVSA-N 2 0 310.526 3.683 20 0 DHADRP Cc1ccc(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(C)c1 ZINC000657294032 1016210716 /nfs/dbraw/zinc/21/07/16/1016210716.db2.gz AODFNBRFPHCBIC-UHFFFAOYSA-N 2 0 320.440 3.607 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc3ccncc3s2)c1 ZINC000657300343 1016247613 /nfs/dbraw/zinc/24/76/13/1016247613.db2.gz MISNTFVKYUTIBC-UHFFFAOYSA-N 2 0 311.454 3.648 20 0 DHADRP COC1(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000582017496 1016305211 /nfs/dbraw/zinc/30/52/11/1016305211.db2.gz QOTPEIVOVBMEIS-SJLPKXTDSA-N 2 0 308.510 3.578 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657315906 1016312958 /nfs/dbraw/zinc/31/29/58/1016312958.db2.gz TXCDMPFEAXLHIT-INIZCTEOSA-N 2 0 300.471 3.847 20 0 DHADRP CC(C)c1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657328344 1016344349 /nfs/dbraw/zinc/34/43/49/1016344349.db2.gz YEWOJWKLZOLIPZ-UHFFFAOYSA-N 2 0 306.413 3.681 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657359722 1016447431 /nfs/dbraw/zinc/44/74/31/1016447431.db2.gz XSAVNVCPEGTLPH-INIZCTEOSA-N 2 0 300.471 3.847 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281324692 1016468521 /nfs/dbraw/zinc/46/85/21/1016468521.db2.gz SSYKREQSUTUNHA-KXBFYZLASA-N 2 0 319.468 3.774 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000281380580 1016483013 /nfs/dbraw/zinc/48/30/13/1016483013.db2.gz XFEXTOCPBQFEMX-QRVBRYPASA-N 2 0 315.505 3.738 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000657375222 1016527002 /nfs/dbraw/zinc/52/70/02/1016527002.db2.gz FLSSCCSBIUNUHV-CXAGYDPISA-N 2 0 315.486 3.691 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(OC)cc1 ZINC000171127042 1016535326 /nfs/dbraw/zinc/53/53/26/1016535326.db2.gz CMVZPBJLYXUPOB-FQEVSTJZSA-N 2 0 312.457 3.998 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000277540159 1016569421 /nfs/dbraw/zinc/56/94/21/1016569421.db2.gz QHKMIACEWFPVLD-FQEVSTJZSA-N 2 0 309.457 3.665 20 0 DHADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000475049719 1016575413 /nfs/dbraw/zinc/57/54/13/1016575413.db2.gz ZFUASGISYZDGPJ-WOJBJXKFSA-N 2 0 322.537 3.516 20 0 DHADRP COc1cc(C)c(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1C ZINC000629710254 1016583432 /nfs/dbraw/zinc/58/34/32/1016583432.db2.gz COSPVTJAMKQDEQ-UHFFFAOYSA-N 2 0 324.468 3.902 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000281582348 1016606150 /nfs/dbraw/zinc/60/61/50/1016606150.db2.gz LEZDZEOUZNXARX-MSOLQXFVSA-N 2 0 315.505 3.738 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc4c(c3)CCCO4)c2)CC1 ZINC000629733187 1016622687 /nfs/dbraw/zinc/62/26/87/1016622687.db2.gz ZJTVTGMQLUZQAR-UHFFFAOYSA-N 2 0 322.452 3.602 20 0 DHADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000347091699 1016727548 /nfs/dbraw/zinc/72/75/48/1016727548.db2.gz FZWVFXYZXVAMON-ZDUSSCGKSA-N 2 0 304.434 3.725 20 0 DHADRP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336868517 1016728989 /nfs/dbraw/zinc/72/89/89/1016728989.db2.gz UYBDPWZGDYIYJD-INIZCTEOSA-N 2 0 312.457 3.731 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC(F)F)c1 ZINC000337565729 1016756590 /nfs/dbraw/zinc/75/65/90/1016756590.db2.gz BEOZNVPWRWWDEI-CFVMTHIKSA-N 2 0 310.388 3.565 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000347179188 1016773674 /nfs/dbraw/zinc/77/36/74/1016773674.db2.gz SYFBJUUYJSYELX-HNNXBMFYSA-N 2 0 302.462 3.567 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000051693499 1016776868 /nfs/dbraw/zinc/77/68/68/1016776868.db2.gz DAXHQBUAJNLGBX-NRXISQOPSA-N 2 0 311.267 3.760 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000342597892 1016830892 /nfs/dbraw/zinc/83/08/92/1016830892.db2.gz QEBFGFXHXYZMOV-VQIMIIECSA-N 2 0 318.505 3.558 20 0 DHADRP Clc1ccc(CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000671300576 1016893745 /nfs/dbraw/zinc/89/37/45/1016893745.db2.gz DJHNMPDEZUYGJD-ZIAGYGMSSA-N 2 0 312.910 3.941 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(OC(C)C)c(C)c2)C1 ZINC001205015769 1016927812 /nfs/dbraw/zinc/92/78/12/1016927812.db2.gz FKTWNTZHJQKBFW-QGZVFWFLSA-N 2 0 304.478 3.522 20 0 DHADRP Cc1ccc([C@@H](O)[C@@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926408194 1016923993 /nfs/dbraw/zinc/92/39/93/1016923993.db2.gz RLSHFTGVYMHWCP-XLIONFOSSA-N 2 0 318.505 3.517 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623357498 1016985362 /nfs/dbraw/zinc/98/53/62/1016985362.db2.gz SECKBDCTPYJAJW-GJZGRUSLSA-N 2 0 320.477 3.536 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192826517 1017013348 /nfs/dbraw/zinc/01/33/48/1017013348.db2.gz GMOPSSXTNXQQCE-IBGZPJMESA-N 2 0 301.478 3.645 20 0 DHADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623418866 1017034286 /nfs/dbraw/zinc/03/42/86/1017034286.db2.gz IXSPKGDHJBEFAJ-WMZOPIPTSA-N 2 0 317.521 3.578 20 0 DHADRP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CCC2)cc1 ZINC000897080074 1017042279 /nfs/dbraw/zinc/04/22/79/1017042279.db2.gz POPXWEJVXHNUCQ-AQDPXUSMSA-N 2 0 314.473 3.751 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C12CCCCC2 ZINC000623430754 1017043421 /nfs/dbraw/zinc/04/34/21/1017043421.db2.gz CVTLZVHFKRDKIZ-GVDBMIGSSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440398 1017048300 /nfs/dbraw/zinc/04/83/00/1017048300.db2.gz ULNWOBNCAWUWHB-GJZGRUSLSA-N 2 0 324.896 3.960 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC2(C)C)C[C@H](C)O1 ZINC000342710132 1017062476 /nfs/dbraw/zinc/06/24/76/1017062476.db2.gz OHPIUMQPSWUHMT-FCEWJHQRSA-N 2 0 316.489 3.574 20 0 DHADRP COC1CCC(C)(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000475191236 1017064259 /nfs/dbraw/zinc/06/42/59/1017064259.db2.gz MYRABCJTXREJQI-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000361927274 1032157625 /nfs/dbraw/zinc/15/76/25/1032157625.db2.gz SLTRFNBYHSIVBF-AEFFLSMTSA-N 2 0 314.473 3.847 20 0 DHADRP Fc1ccc(SCC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000361943117 1032164646 /nfs/dbraw/zinc/16/46/46/1032164646.db2.gz JTSBWAVKIIZSTO-ZDUSSCGKSA-N 2 0 305.422 3.521 20 0 DHADRP CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000361972745 1032178198 /nfs/dbraw/zinc/17/81/98/1032178198.db2.gz TZZWGKZZVLBWOF-SCTDSRPQSA-N 2 0 304.478 3.999 20 0 DHADRP CC[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657537759 1017230952 /nfs/dbraw/zinc/23/09/52/1017230952.db2.gz SEWLJXUZTMDGIW-HKUYNNGSSA-N 2 0 322.537 3.826 20 0 DHADRP C[NH+](C)C1CCC([N@H+](C)Cc2nc3ccccc3s2)CC1 ZINC001168314141 1032216534 /nfs/dbraw/zinc/21/65/34/1032216534.db2.gz KKKZLRNYIDIKAP-UHFFFAOYSA-N 2 0 303.475 3.601 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001168314941 1032224858 /nfs/dbraw/zinc/22/48/58/1032224858.db2.gz ILNAFMLOKNQORF-GZNCHQMQSA-N 2 0 323.484 3.766 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657504861 1017075077 /nfs/dbraw/zinc/07/50/77/1017075077.db2.gz PUPSRRUVUNBJFF-WOVMCDHWSA-N 2 0 300.471 3.845 20 0 DHADRP Cc1ccc(O[C@H]2CCC[N@@H+](C3CCC([NH+](C)C)CC3)C2)cc1 ZINC001168323096 1032264469 /nfs/dbraw/zinc/26/44/69/1032264469.db2.gz QHEBWEPSGYBZDJ-QLOJAFMTSA-N 2 0 316.489 3.711 20 0 DHADRP COc1ccc(C2CC[NH+](C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168322769 1032265837 /nfs/dbraw/zinc/26/58/37/1032265837.db2.gz HNCJRUUMDMARCJ-UHFFFAOYSA-N 2 0 316.489 3.747 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)CC(C)(C)CC[NH3+] ZINC001172715241 1033351110 /nfs/dbraw/zinc/35/11/10/1033351110.db2.gz GPVBSABULYXOSV-CXAGYDPISA-N 2 0 308.897 3.798 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348098254 1032460021 /nfs/dbraw/zinc/46/00/21/1032460021.db2.gz AEJLMHZSGOXFOC-CABCVRRESA-N 2 0 323.456 3.535 20 0 DHADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171343417 1032468709 /nfs/dbraw/zinc/46/87/09/1032468709.db2.gz XNMIOCXPAZXMLR-INIZCTEOSA-N 2 0 310.432 3.534 20 0 DHADRP CC[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000179725830 1017293965 /nfs/dbraw/zinc/29/39/65/1017293965.db2.gz HPQXRVNRRXSKKT-UKRRQHHQSA-N 2 0 312.404 3.813 20 0 DHADRP CCOc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623544714 1017094629 /nfs/dbraw/zinc/09/46/29/1017094629.db2.gz HHSOFEOEORKOJT-AEFFLSMTSA-N 2 0 318.505 3.726 20 0 DHADRP Cc1ccc([C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925144567 1017300509 /nfs/dbraw/zinc/30/05/09/1017300509.db2.gz UUVCQSHHENXWBT-VDGAXYAQSA-N 2 0 309.457 3.552 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000122270599 1032525475 /nfs/dbraw/zinc/52/54/75/1032525475.db2.gz DGSMNQSYGTVMBC-KRWDZBQOSA-N 2 0 322.880 3.794 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000773072252 1032549946 /nfs/dbraw/zinc/54/99/46/1032549946.db2.gz ABQMVHLRLSJDAJ-HOTGVXAUSA-N 2 0 300.556 3.864 20 0 DHADRP CCCOc1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000537647739 1032580339 /nfs/dbraw/zinc/58/03/39/1032580339.db2.gz HHHGBDYAIOSAQX-IBGZPJMESA-N 2 0 316.489 3.783 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000396473810 1011937104 /nfs/dbraw/zinc/93/71/04/1011937104.db2.gz ZRRZNMGHAIMZRL-HOTGVXAUSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000424280736 1011970620 /nfs/dbraw/zinc/97/06/20/1011970620.db2.gz HQLUQGUGOKQPSJ-IUODEOHRSA-N 2 0 321.465 3.634 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000424311869 1011974241 /nfs/dbraw/zinc/97/42/41/1011974241.db2.gz LFFKYZVCQDDHCS-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623553152 1017104702 /nfs/dbraw/zinc/10/47/02/1017104702.db2.gz HNRYFFXFUXUEFH-UHFFFAOYSA-N 2 0 306.397 3.729 20 0 DHADRP Cc1ccc2cc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)ccc2n1 ZINC000424371666 1012011789 /nfs/dbraw/zinc/01/17/89/1012011789.db2.gz DXERCMRHFSTRIP-MRXNPFEDSA-N 2 0 309.457 3.507 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccncc3)c1)CC[NH2+]CC2 ZINC000424377178 1012014326 /nfs/dbraw/zinc/01/43/26/1012014326.db2.gz LVGJBUGDVDWUIK-QGZVFWFLSA-N 2 0 321.468 3.713 20 0 DHADRP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)c2)cc1 ZINC000666951035 1032600938 /nfs/dbraw/zinc/60/09/38/1032600938.db2.gz XSQHIBRNBQRSPC-LJQANCHMSA-N 2 0 308.425 3.711 20 0 DHADRP FC(F)(F)c1ccc(Cl)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952318 1032599935 /nfs/dbraw/zinc/59/99/35/1032599935.db2.gz QQNYAFMFELIPRU-ZDUSSCGKSA-N 2 0 318.770 3.591 20 0 DHADRP FC(F)(F)c1ccccc1[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647992469 1012101922 /nfs/dbraw/zinc/10/19/22/1012101922.db2.gz COMTVGLMNDFWHF-IVMMDQJWSA-N 2 0 312.379 3.541 20 0 DHADRP FC(F)(F)c1ccccc1[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647992467 1012102124 /nfs/dbraw/zinc/10/21/24/1012102124.db2.gz COMTVGLMNDFWHF-DUVNUKRYSA-N 2 0 312.379 3.541 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953704 1032602458 /nfs/dbraw/zinc/60/24/58/1032602458.db2.gz FRAOJOORYUUALG-HXUWFJFHSA-N 2 0 322.452 3.594 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000321122500 1012163092 /nfs/dbraw/zinc/16/30/92/1012163092.db2.gz LKDSVPCHNOASCK-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513960119 1012229536 /nfs/dbraw/zinc/22/95/36/1012229536.db2.gz AKPBXJLTYXWNLP-MRXNPFEDSA-N 2 0 302.453 3.866 20 0 DHADRP c1csc(C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC2)c1 ZINC000688025935 1012303764 /nfs/dbraw/zinc/30/37/64/1012303764.db2.gz SEQTXYWXKZWMHU-UHFFFAOYSA-N 2 0 304.484 3.620 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000666956300 1032626942 /nfs/dbraw/zinc/62/69/42/1032626942.db2.gz JPBDEFJDYMIPIV-QAQDUYKDSA-N 2 0 309.457 3.603 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(F)cc1 ZINC001167958739 1012468833 /nfs/dbraw/zinc/46/88/33/1012468833.db2.gz JQYWIOXZLMERIR-RIJRJKGBSA-N 2 0 302.437 3.882 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC001202748384 1032643282 /nfs/dbraw/zinc/64/32/82/1032643282.db2.gz ADWUBIXKPCAALZ-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000154447365 1012726040 /nfs/dbraw/zinc/72/60/40/1012726040.db2.gz RPYDIMMQNWRSJN-FQEVSTJZSA-N 2 0 317.521 3.535 20 0 DHADRP FCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000516883291 1012854961 /nfs/dbraw/zinc/85/49/61/1012854961.db2.gz UZFUFKQWDMKEBL-CEXWTWQISA-N 2 0 304.453 3.626 20 0 DHADRP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000366678736 1012920195 /nfs/dbraw/zinc/92/01/95/1012920195.db2.gz MVDWLTWLKBRJBS-IRXDYDNUSA-N 2 0 308.510 3.578 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000517567799 1013015698 /nfs/dbraw/zinc/01/56/98/1013015698.db2.gz SDGBXXBJTTUJHW-CVEARBPZSA-N 2 0 312.457 3.886 20 0 DHADRP CSCC[N@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060683 1017110777 /nfs/dbraw/zinc/11/07/77/1017110777.db2.gz XQSINWIQBGZYQK-HOTGVXAUSA-N 2 0 306.519 3.723 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1(C)C ZINC000623571305 1017115610 /nfs/dbraw/zinc/11/56/10/1017115610.db2.gz SAKKCKHBHRFEIQ-XHSDSOJGSA-N 2 0 308.510 3.575 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000475291434 1017120360 /nfs/dbraw/zinc/12/03/60/1017120360.db2.gz OMCZJKKOZOVIBV-QRVBRYPASA-N 2 0 318.530 3.628 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1)CC(C)C ZINC000475311915 1017136609 /nfs/dbraw/zinc/13/66/09/1017136609.db2.gz AFTDRLVLTLRGET-HKUYNNGSSA-N 2 0 310.526 3.634 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000623655560 1017153441 /nfs/dbraw/zinc/15/34/41/1017153441.db2.gz ZTIVXCQDERLOHE-AWEZNQCLSA-N 2 0 300.368 3.527 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000178169191 1017166406 /nfs/dbraw/zinc/16/64/06/1017166406.db2.gz ONUCRDFUCAITKB-JKIFEVAISA-N 2 0 310.482 3.626 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000623751769 1017341373 /nfs/dbraw/zinc/34/13/73/1017341373.db2.gz LQTCZCHOACHOPY-JZXOWHBKSA-N 2 0 304.865 3.934 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812182 1017417347 /nfs/dbraw/zinc/41/73/47/1017417347.db2.gz YZZCWXQCIBHCFE-OXJNMPFZSA-N 2 0 316.489 3.828 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@H](C)C1 ZINC000475555863 1017424529 /nfs/dbraw/zinc/42/45/29/1017424529.db2.gz ZEKAZLBDUZNWOA-HYEGPXJVSA-N 2 0 304.453 3.782 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000475555866 1017426446 /nfs/dbraw/zinc/42/64/46/1017426446.db2.gz ZEKAZLBDUZNWOA-WQCNXYOZSA-N 2 0 304.453 3.782 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475559710 1017429344 /nfs/dbraw/zinc/42/93/44/1017429344.db2.gz FUVJJMXJTDQTTH-KKXNLOMOSA-N 2 0 300.490 3.923 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000125282372 1032700738 /nfs/dbraw/zinc/70/07/38/1032700738.db2.gz FJFXKOWXESDPGE-MRXNPFEDSA-N 2 0 308.466 3.684 20 0 DHADRP CC[C@H](CSC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716684805 1032701599 /nfs/dbraw/zinc/70/15/99/1032701599.db2.gz VVWAIGTVHNHQRK-MANSERQUSA-N 2 0 318.530 3.771 20 0 DHADRP FC(F)(F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680221 1032703204 /nfs/dbraw/zinc/70/32/04/1032703204.db2.gz GVRQWGPOEBVTCB-XHSDSOJGSA-N 2 0 312.379 3.582 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000180789225 1017508473 /nfs/dbraw/zinc/50/84/73/1017508473.db2.gz CDBQPPRHSJPQKE-UHFFFAOYSA-N 2 0 304.478 3.726 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C ZINC000657612602 1017571622 /nfs/dbraw/zinc/57/16/22/1017571622.db2.gz AVZLFBGIGGUGRG-HLIPFELVSA-N 2 0 315.505 3.708 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623903860 1017572717 /nfs/dbraw/zinc/57/27/17/1017572717.db2.gz QFDVMVRVYOQJDZ-MRXNPFEDSA-N 2 0 321.534 3.868 20 0 DHADRP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444623579 1017598445 /nfs/dbraw/zinc/59/84/45/1017598445.db2.gz YJSVFLOCNJXKRG-ICSRJNTNSA-N 2 0 300.490 3.816 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623960483 1017606266 /nfs/dbraw/zinc/60/62/66/1017606266.db2.gz YWGKAAXAOKYYCW-KEYYUXOJSA-N 2 0 324.896 3.878 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000353643588 1017612212 /nfs/dbraw/zinc/61/22/12/1017612212.db2.gz ADWMTUJBQCJXBZ-DQPZFDDXSA-N 2 0 306.425 3.502 20 0 DHADRP CC(C)COc1ccccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000130836475 1017634448 /nfs/dbraw/zinc/63/44/48/1017634448.db2.gz MBNAQIIHIUDKNM-INIZCTEOSA-N 2 0 304.478 3.541 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000657658209 1017684651 /nfs/dbraw/zinc/68/46/51/1017684651.db2.gz WACMLUWNNWNLEX-IRFCIJBXSA-N 2 0 312.501 3.719 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000624120457 1017693383 /nfs/dbraw/zinc/69/33/83/1017693383.db2.gz ZNCHVWLLTTYABJ-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624123713 1017695197 /nfs/dbraw/zinc/69/51/97/1017695197.db2.gz RIQNIYODWGXEAX-XNFNUYLZSA-N 2 0 316.489 3.509 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCS2 ZINC000624123361 1017695707 /nfs/dbraw/zinc/69/57/07/1017695707.db2.gz KPYFYTOWDHVUCA-WMLDXEAASA-N 2 0 320.502 3.554 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C(C)C)cc1 ZINC000624122712 1017697041 /nfs/dbraw/zinc/69/70/41/1017697041.db2.gz ZKAXYJLGMCPRKX-LPHOPBHVSA-N 2 0 304.478 3.714 20 0 DHADRP Cc1cccc(C)c1OCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523438452 1017698572 /nfs/dbraw/zinc/69/85/72/1017698572.db2.gz BGVXUOJZNNMSRJ-IBGZPJMESA-N 2 0 316.489 3.633 20 0 DHADRP CCOc1ccccc1[C@H](CC(C)C)[NH2+]CCn1ccnc1 ZINC000181260447 1017737072 /nfs/dbraw/zinc/73/70/72/1017737072.db2.gz DNFBWXCHIGQCDH-KRWDZBQOSA-N 2 0 301.434 3.659 20 0 DHADRP Cc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c(C[NH+](C)C)c1 ZINC001167626878 1017738450 /nfs/dbraw/zinc/73/84/50/1017738450.db2.gz WQUPPACOIWCTAO-UHFFFAOYSA-N 2 0 303.494 3.541 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000666977307 1032722275 /nfs/dbraw/zinc/72/22/75/1032722275.db2.gz GCYGOVYWOASYNG-IEBWSBKVSA-N 2 0 310.441 3.623 20 0 DHADRP CC[C@H](CSc1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090778531 1017816302 /nfs/dbraw/zinc/81/63/02/1017816302.db2.gz XDPRVPUMGOGMBX-NVXWUHKLSA-N 2 0 306.519 3.877 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000317759347 1017832431 /nfs/dbraw/zinc/83/24/31/1017832431.db2.gz VXZAXFHVUBRTPV-KRWDZBQOSA-N 2 0 302.506 3.965 20 0 DHADRP Cc1cccc([C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000090946763 1017835871 /nfs/dbraw/zinc/83/58/71/1017835871.db2.gz PTBGDBKWDHCCCD-DYESRHJHSA-N 2 0 323.484 3.799 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624223894 1017891408 /nfs/dbraw/zinc/89/14/08/1017891408.db2.gz HAPISXGQWLAGOV-ROUUACIJSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H](c1ccccc1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305047 1017921418 /nfs/dbraw/zinc/92/14/18/1017921418.db2.gz RAJDYECEYIHHTQ-KSZLIROESA-N 2 0 316.489 3.569 20 0 DHADRP CC[NH+](CC)CCCC1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000182739806 1017950487 /nfs/dbraw/zinc/95/04/87/1017950487.db2.gz SROILYQTTKQXMV-UHFFFAOYSA-N 2 0 323.569 3.552 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000624261487 1017975621 /nfs/dbraw/zinc/97/56/21/1017975621.db2.gz UETIRUMPNXZPNM-RWMBFGLXSA-N 2 0 318.408 3.729 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(F)cc(F)c1 ZINC000123665610 1018101445 /nfs/dbraw/zinc/10/14/45/1018101445.db2.gz JKPWWYHLFRUYHJ-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP CC1(C)[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(F)F ZINC000657737419 1018124614 /nfs/dbraw/zinc/12/46/14/1018124614.db2.gz FRFMAUXEFBVYFB-QGZVFWFLSA-N 2 0 322.443 3.574 20 0 DHADRP C[C@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185690733 1018126148 /nfs/dbraw/zinc/12/61/48/1018126148.db2.gz CULLDHBCOPNQDO-ZWKOTPCHSA-N 2 0 316.489 3.698 20 0 DHADRP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000380189331 1018134419 /nfs/dbraw/zinc/13/44/19/1018134419.db2.gz PRBCISHLEJVLFJ-FXAWDEMLSA-N 2 0 324.468 3.695 20 0 DHADRP CC1(C)CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166855 1018195971 /nfs/dbraw/zinc/19/59/71/1018195971.db2.gz QEMBWUYGDBRFHO-LJQANCHMSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000658184014 1018224632 /nfs/dbraw/zinc/22/46/32/1018224632.db2.gz HAIUSXVXPPTFIZ-SJLPKXTDSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)C[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccncc1 ZINC000647282054 1018230097 /nfs/dbraw/zinc/23/00/97/1018230097.db2.gz WHXVMGPJFBNVNP-IBGZPJMESA-N 2 0 303.494 3.879 20 0 DHADRP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000446750045 1018234925 /nfs/dbraw/zinc/23/49/25/1018234925.db2.gz FCDYSAYOLUQALN-HXUWFJFHSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2ccoc2)CC1 ZINC000658197227 1018252884 /nfs/dbraw/zinc/25/28/84/1018252884.db2.gz GOAMRKSHHKJSNW-QGZVFWFLSA-N 2 0 312.457 3.507 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)ccc1SC ZINC000125423089 1018281276 /nfs/dbraw/zinc/28/12/76/1018281276.db2.gz RIHZTDHEIDMZHU-CQSZACIVSA-N 2 0 322.518 3.800 20 0 DHADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446885998 1018289868 /nfs/dbraw/zinc/28/98/68/1018289868.db2.gz ZMTRVXWPBMDHNV-TZIWHRDSSA-N 2 0 312.501 3.961 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381987221 1018293265 /nfs/dbraw/zinc/29/32/65/1018293265.db2.gz XBHAZCRTLCXWBN-RYQLBKOJSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381987217 1018293732 /nfs/dbraw/zinc/29/37/32/1018293732.db2.gz XBHAZCRTLCXWBN-CGTJXYLNSA-N 2 0 322.443 3.922 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000446931965 1018295947 /nfs/dbraw/zinc/29/59/47/1018295947.db2.gz GFQLQOXUKDOIAQ-AABGKKOBSA-N 2 0 318.505 3.690 20 0 DHADRP CC(C)SCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000382040893 1018298237 /nfs/dbraw/zinc/29/82/37/1018298237.db2.gz ILQVPGGAIJXXCV-RBUKOAKNSA-N 2 0 318.530 3.582 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000323275420 1018343153 /nfs/dbraw/zinc/34/31/53/1018343153.db2.gz AAQHPZVNNVJNOM-LAUBAEHRSA-N 2 0 308.469 3.748 20 0 DHADRP C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000764773726 1018372266 /nfs/dbraw/zinc/37/22/66/1018372266.db2.gz IXOLBVVABRDYCH-HOTGVXAUSA-N 2 0 316.445 3.502 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](C3c4ccccc4-c4ccccc43)C[C@@H]21 ZINC000261629869 1018387504 /nfs/dbraw/zinc/38/75/04/1018387504.db2.gz CXBXUEIFXQOFAG-PNHOKKKMSA-N 2 0 304.437 3.816 20 0 DHADRP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000647288751 1018403226 /nfs/dbraw/zinc/40/32/26/1018403226.db2.gz NXRKVSAWNWEELJ-LPHOPBHVSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(C)(C)c1ccccc1 ZINC000447565140 1018427478 /nfs/dbraw/zinc/42/74/78/1018427478.db2.gz JAJAHIBYAGYSKK-INIZCTEOSA-N 2 0 300.490 3.817 20 0 DHADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080339075 1018452634 /nfs/dbraw/zinc/45/26/34/1018452634.db2.gz WJUGKZITVVJDRZ-PXNSSMCTSA-N 2 0 324.468 3.838 20 0 DHADRP C[N@H+](CCCc1c(F)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583440619 1018462846 /nfs/dbraw/zinc/46/28/46/1018462846.db2.gz NHZSCUFDDVPBGU-PBWFPOADSA-N 2 0 310.844 3.627 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000447733961 1018465018 /nfs/dbraw/zinc/46/50/18/1018465018.db2.gz RNKLXCYRZBNIHF-AZUAARDMSA-N 2 0 318.505 3.613 20 0 DHADRP Cc1nc(F)ccc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000278283038 1018507429 /nfs/dbraw/zinc/50/74/29/1018507429.db2.gz APQVVFISGCHJIP-UHFFFAOYSA-N 2 0 319.468 3.662 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000527213372 1018530305 /nfs/dbraw/zinc/53/03/05/1018530305.db2.gz XLQBBJNWSMDXSL-IBGZPJMESA-N 2 0 322.537 3.921 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650713098 1018548062 /nfs/dbraw/zinc/54/80/62/1018548062.db2.gz FUUQYMDUDBFVLV-OALUTQOASA-N 2 0 316.489 3.829 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]CCCCCOc2ccccc2)c(F)c1 ZINC000650716869 1018560533 /nfs/dbraw/zinc/56/05/33/1018560533.db2.gz MCWWIYTUGYWHLV-UHFFFAOYSA-N 2 0 316.420 3.623 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650718093 1018566403 /nfs/dbraw/zinc/56/64/03/1018566403.db2.gz XUCPWWWNEDSKDG-HNNXBMFYSA-N 2 0 300.421 3.704 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)C2 ZINC001171556222 1032774134 /nfs/dbraw/zinc/77/41/34/1032774134.db2.gz IKSVLLHYFLENQZ-WFXMLNOXSA-N 2 0 314.517 3.986 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)C1CC[NH+](C)CC1 ZINC000675752267 1018573408 /nfs/dbraw/zinc/57/34/08/1018573408.db2.gz XWDRNAJWWCGBBK-MRXNPFEDSA-N 2 0 318.480 3.957 20 0 DHADRP Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723095 1018577271 /nfs/dbraw/zinc/57/72/71/1018577271.db2.gz HMKAKNSCSLUSIH-KURKYZTESA-N 2 0 322.880 3.509 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C2 ZINC001171553446 1032776508 /nfs/dbraw/zinc/77/65/08/1032776508.db2.gz QSACIDGIMNMLKJ-HKUYNNGSSA-N 2 0 300.490 3.706 20 0 DHADRP CC[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000650723527 1018578532 /nfs/dbraw/zinc/57/85/32/1018578532.db2.gz PRPKXQDXNQDSPU-VBSBHUPXSA-N 2 0 316.489 3.541 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000583580583 1018578558 /nfs/dbraw/zinc/57/85/58/1018578558.db2.gz ZOKOZPUPCKMBGF-OKZBNKHCSA-N 2 0 316.514 3.774 20 0 DHADRP CC[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1ccccc1 ZINC000650723525 1018579429 /nfs/dbraw/zinc/57/94/29/1018579429.db2.gz PRPKXQDXNQDSPU-GSEOLPGOSA-N 2 0 316.489 3.541 20 0 DHADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000675787193 1018592812 /nfs/dbraw/zinc/59/28/12/1018592812.db2.gz ZUCWPLJETGCJGB-PMACEKPBSA-N 2 0 318.505 3.693 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C2 ZINC001171553448 1032775593 /nfs/dbraw/zinc/77/55/93/1032775593.db2.gz QSACIDGIMNMLKJ-MJGOQNOKSA-N 2 0 300.490 3.706 20 0 DHADRP C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138331 1032776330 /nfs/dbraw/zinc/77/63/30/1032776330.db2.gz XCDLOJLSTFYUNA-CHWSQXEVSA-N 2 0 303.475 3.820 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171554876 1032776296 /nfs/dbraw/zinc/77/62/96/1032776296.db2.gz QWBHPSIADVQWFY-UHFFFAOYSA-N 2 0 323.484 3.992 20 0 DHADRP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100693 1018624411 /nfs/dbraw/zinc/62/44/11/1018624411.db2.gz JEOYTVJKLXKBRN-QFBILLFUSA-N 2 0 304.478 3.858 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2C)[C@H](C)C1 ZINC000675905748 1018629768 /nfs/dbraw/zinc/62/97/68/1018629768.db2.gz AFMVIBBOXQPGHG-MKXGPGLRSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000675930573 1018636549 /nfs/dbraw/zinc/63/65/49/1018636549.db2.gz WFQHALTVZNXSMB-GUTXKFCHSA-N 2 0 306.416 3.675 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCC2(C[NH3+])CC2)cc1F ZINC000650746193 1018642735 /nfs/dbraw/zinc/64/27/35/1018642735.db2.gz XXGHZOJQTBIFIN-NVXWUHKLSA-N 2 0 320.452 3.579 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650745601 1018643057 /nfs/dbraw/zinc/64/30/57/1018643057.db2.gz KHFSLDLDFGJASY-QGZVFWFLSA-N 2 0 302.462 3.742 20 0 DHADRP Cc1cccc2c1CC[C@@H]([N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171558500 1032777655 /nfs/dbraw/zinc/77/76/55/1032777655.db2.gz KDZNXKUTIKVVRR-MISYRCLQSA-N 2 0 312.501 3.977 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000650755624 1018683383 /nfs/dbraw/zinc/68/33/83/1018683383.db2.gz JLPFOFNPWNEJGN-OAHLLOKOSA-N 2 0 308.425 3.873 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000126990196 1018688415 /nfs/dbraw/zinc/68/84/15/1018688415.db2.gz ADQQPXJSBAGSDV-AWEZNQCLSA-N 2 0 315.486 3.898 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000650757933 1018692329 /nfs/dbraw/zinc/69/23/29/1018692329.db2.gz FEFLLDNGIIYUFC-HZPDHXFCSA-N 2 0 312.457 3.696 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000650759665 1018698104 /nfs/dbraw/zinc/69/81/04/1018698104.db2.gz NTQSXAMCAQYNLU-CYBMUJFWSA-N 2 0 320.383 3.858 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278450918 1018706104 /nfs/dbraw/zinc/70/61/04/1018706104.db2.gz LLGSKHCSWXQULV-HNNXBMFYSA-N 2 0 302.462 3.610 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762818 1018710180 /nfs/dbraw/zinc/71/01/80/1018710180.db2.gz LATFWTILNCDOCO-MRXNPFEDSA-N 2 0 308.853 3.533 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C2 ZINC001171561373 1032783717 /nfs/dbraw/zinc/78/37/17/1032783717.db2.gz YFUJGUWKEPBVHY-LJQANCHMSA-N 2 0 300.490 3.562 20 0 DHADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000657812403 1018790730 /nfs/dbraw/zinc/79/07/30/1018790730.db2.gz ATRRTVJEBGXNBI-UHFFFAOYSA-N 2 0 322.880 3.560 20 0 DHADRP Cc1oc2ccccc2c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813615 1018799274 /nfs/dbraw/zinc/79/92/74/1018799274.db2.gz UIVBCXGVJSWDSV-UHFFFAOYSA-N 2 0 312.457 3.953 20 0 DHADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000765476601 1018800108 /nfs/dbraw/zinc/80/01/08/1018800108.db2.gz YKEWWMOQQNODFF-FQEVSTJZSA-N 2 0 324.468 3.713 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657815682 1018823132 /nfs/dbraw/zinc/82/31/32/1018823132.db2.gz JEFTVOQDPXFXAW-LSDHHAIUSA-N 2 0 303.450 3.989 20 0 DHADRP COc1ccc2c(N[C@@H](C)C(C)(C)C[NH+](C)C)cc[nH+]c2c1 ZINC000765510272 1018842546 /nfs/dbraw/zinc/84/25/46/1018842546.db2.gz SQAMFPZAEOSGMB-ZDUSSCGKSA-N 2 0 301.434 3.632 20 0 DHADRP c1ccc(CN2CCC([NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657818940 1018861049 /nfs/dbraw/zinc/86/10/49/1018861049.db2.gz YZFSTINNKIPGMW-QGZVFWFLSA-N 2 0 304.503 3.526 20 0 DHADRP CC[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000316889705 1018871923 /nfs/dbraw/zinc/87/19/23/1018871923.db2.gz BBTGYSRLGFHYLL-LRDDRELGSA-N 2 0 319.836 3.554 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)CC1 ZINC000921810730 1018891936 /nfs/dbraw/zinc/89/19/36/1018891936.db2.gz UTIJGLWMSOBJPW-YQVWRLOYSA-N 2 0 320.521 3.578 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000657825405 1018924684 /nfs/dbraw/zinc/92/46/84/1018924684.db2.gz DIYIRZYEXJDPTR-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP c1cc(C[NH2+][C@H]2CCCSCC2)cc(C[NH+]2CCCC2)c1 ZINC000657825988 1018934464 /nfs/dbraw/zinc/93/44/64/1018934464.db2.gz CKHNQXOQYDAKAO-SFHVURJKSA-N 2 0 304.503 3.658 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2Cc3ccc(F)cc3C2)CC1(C)C ZINC001171629689 1032795930 /nfs/dbraw/zinc/79/59/30/1032795930.db2.gz CEEPCPLRZQHZHZ-INIZCTEOSA-N 2 0 304.453 3.534 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000159064196 1018994795 /nfs/dbraw/zinc/99/47/95/1018994795.db2.gz PFYAELSBWJZUCM-CQSZACIVSA-N 2 0 310.507 3.516 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220672 1019026937 /nfs/dbraw/zinc/02/69/37/1019026937.db2.gz PPYGCOLFFZLQHM-WBMJQRKESA-N 2 0 313.272 3.910 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168692693 1019059788 /nfs/dbraw/zinc/05/97/88/1019059788.db2.gz RWDCJPAUCYOVHC-ZBFHGGJFSA-N 2 0 306.881 3.661 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCCc3ncccc32)CC1(C)C ZINC001171623163 1032805403 /nfs/dbraw/zinc/80/54/03/1032805403.db2.gz MPMGUJDHPKOJHZ-QGZVFWFLSA-N 2 0 301.478 3.700 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625083 1032805680 /nfs/dbraw/zinc/80/56/80/1032805680.db2.gz BDZFUDDVNVARRD-AWEZNQCLSA-N 2 0 304.478 3.564 20 0 DHADRP Cc1ccncc1CCC[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000347914288 1019074721 /nfs/dbraw/zinc/07/47/21/1019074721.db2.gz BIDGBQZJDWAINC-ROUUACIJSA-N 2 0 317.521 3.670 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCCOc2ccccc2)CC1(C)C ZINC001171623128 1032806227 /nfs/dbraw/zinc/80/62/27/1032806227.db2.gz LHCBCDRHMOECIE-UHFFFAOYSA-N 2 0 304.478 3.697 20 0 DHADRP Cc1noc2ccc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cc12 ZINC001171625816 1032808127 /nfs/dbraw/zinc/80/81/27/1032808127.db2.gz ORCPOODCUMWXAB-UHFFFAOYSA-N 2 0 315.461 3.877 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000765954957 1019122038 /nfs/dbraw/zinc/12/20/38/1019122038.db2.gz WUPXOHPNRSJKGD-KRWDZBQOSA-N 2 0 316.489 3.928 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657843599 1019128718 /nfs/dbraw/zinc/12/87/18/1019128718.db2.gz FACGVYANTZIALI-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP C[NH+]1C(C)(C)CC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1(C)C ZINC001171627357 1032809805 /nfs/dbraw/zinc/80/98/05/1032809805.db2.gz QOZMEJCERWUQES-JCNLHEQBSA-N 3 0 321.553 3.762 20 0 DHADRP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c2)c1 ZINC000666997042 1032811919 /nfs/dbraw/zinc/81/19/19/1032811919.db2.gz UAINYEGUPXKGEH-LJQANCHMSA-N 2 0 307.441 3.513 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000635013437 1019147093 /nfs/dbraw/zinc/14/70/93/1019147093.db2.gz STVDOFCNQITFKY-UHFFFAOYSA-N 2 0 318.795 3.549 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2(CC3CC3)CCOCC2)CC1(C)C ZINC001171626819 1032810850 /nfs/dbraw/zinc/81/08/50/1032810850.db2.gz CHKCCZMKAKQUCV-UHFFFAOYSA-N 2 0 308.510 3.577 20 0 DHADRP c1cncc(-c2cccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c2)c1 ZINC000666997041 1032812570 /nfs/dbraw/zinc/81/25/70/1032812570.db2.gz UAINYEGUPXKGEH-IBGZPJMESA-N 2 0 307.441 3.513 20 0 DHADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000672623753 1019315111 /nfs/dbraw/zinc/31/51/11/1019315111.db2.gz QVPYHSPSXHRCQN-KRWDZBQOSA-N 2 0 318.505 3.834 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000672618000 1019320316 /nfs/dbraw/zinc/32/03/16/1019320316.db2.gz CPRSITAWIGIXBP-BPLDGKMQSA-N 2 0 306.416 3.675 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)ccc2n1 ZINC000322745898 1019342897 /nfs/dbraw/zinc/34/28/97/1019342897.db2.gz CLZOJKUCGMMQBY-MOPGFXCFSA-N 2 0 309.457 3.507 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCC2)cc1 ZINC000166487841 1019401611 /nfs/dbraw/zinc/40/16/11/1019401611.db2.gz JRGSKNCSYIDAQL-GUDVDZBRSA-N 2 0 302.437 3.883 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]2Cc2ccccn2)CC1(C)C ZINC001171639446 1032833397 /nfs/dbraw/zinc/83/33/97/1032833397.db2.gz KDQAYAWCQHBJLF-KRWDZBQOSA-N 2 0 315.505 3.740 20 0 DHADRP C[N@H+](CCOc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636522 1032835408 /nfs/dbraw/zinc/83/54/08/1032835408.db2.gz HCXUWRPIWBCFHJ-UHFFFAOYSA-N 2 0 304.478 3.649 20 0 DHADRP C[N@H+](CCc1ccc(F)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639309 1032836009 /nfs/dbraw/zinc/83/60/09/1032836009.db2.gz FAUUOVYTXBCCRE-UHFFFAOYSA-N 2 0 306.469 3.951 20 0 DHADRP C[NH+]1C(C)(C)CC([N@H+](C2CCC2)C2CCOCC2)CC1(C)C ZINC001171641112 1032836815 /nfs/dbraw/zinc/83/68/15/1032836815.db2.gz MWWQKFWLAGBGGZ-UHFFFAOYSA-N 2 0 308.510 3.671 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cn2)c1 ZINC000092741814 1019535080 /nfs/dbraw/zinc/53/50/80/1019535080.db2.gz XRUAVVAWXHWIBH-HNNXBMFYSA-N 2 0 315.436 3.912 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168705086 1019625929 /nfs/dbraw/zinc/62/59/29/1019625929.db2.gz RKZROARKKFTGKK-MRXNPFEDSA-N 2 0 306.881 3.517 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)C1CC[NH+](C)CC1 ZINC000164826924 1019645541 /nfs/dbraw/zinc/64/55/41/1019645541.db2.gz WHCUNMQDJZTQKS-MRXNPFEDSA-N 2 0 316.489 3.828 20 0 DHADRP Fc1cccc2c1SCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278544455 1019650809 /nfs/dbraw/zinc/65/08/09/1019650809.db2.gz VFLJEIIFIQQQFE-QGZVFWFLSA-N 2 0 320.477 3.827 20 0 DHADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC(C)(C)C)c1 ZINC000165920868 1019749020 /nfs/dbraw/zinc/74/90/20/1019749020.db2.gz OOYJCHUUGGIEDD-MRXNPFEDSA-N 2 0 318.505 3.992 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000527518308 1019754475 /nfs/dbraw/zinc/75/44/75/1019754475.db2.gz GMJMAEOLFYBABT-ZUJMUWTESA-N 2 0 306.416 3.675 20 0 DHADRP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000155463724 1019823714 /nfs/dbraw/zinc/82/37/14/1019823714.db2.gz CFUXJTZZGLJSEA-AWEZNQCLSA-N 2 0 306.881 3.692 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000685455247 1019839834 /nfs/dbraw/zinc/83/98/34/1019839834.db2.gz UJEFLWPWJJYJRU-HSALFYBXSA-N 2 0 300.490 3.718 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000858357982 1032860666 /nfs/dbraw/zinc/86/06/66/1032860666.db2.gz LLJGZTXJUTZFRQ-VQIMIIECSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cncs1 ZINC000309648065 1019924693 /nfs/dbraw/zinc/92/46/93/1019924693.db2.gz DQXLDTJANMMPMZ-MAUKXSAKSA-N 2 0 315.486 3.706 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168717808 1019940323 /nfs/dbraw/zinc/94/03/23/1019940323.db2.gz KAGQRTRBSILCID-HOCLYGCPSA-N 2 0 306.881 3.648 20 0 DHADRP CC(C)[NH2+][C@H]1CCCN(CCn2ccc3cc(Cl)ccc32)C1 ZINC000685568166 1019956695 /nfs/dbraw/zinc/95/66/95/1019956695.db2.gz HICQBXSTZBMJHJ-KRWDZBQOSA-N 2 0 319.880 3.757 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731677928 1020136197 /nfs/dbraw/zinc/13/61/97/1020136197.db2.gz CEQPZHHAYXPSAC-UHFFFAOYSA-N 2 0 316.489 3.612 20 0 DHADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658088584 1020149394 /nfs/dbraw/zinc/14/93/94/1020149394.db2.gz BFEDKDWFHHCROC-OAHLLOKOSA-N 2 0 304.453 3.529 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000765778810 1020177720 /nfs/dbraw/zinc/17/77/20/1020177720.db2.gz BWLQLNJKGTYRCR-ZDUSSCGKSA-N 2 0 314.395 3.568 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCCC4)CC2)ccn1 ZINC000658166226 1020199586 /nfs/dbraw/zinc/19/95/86/1020199586.db2.gz NEQGAKUWTPKVTB-IBGZPJMESA-N 2 0 313.489 3.606 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658223191 1020230096 /nfs/dbraw/zinc/23/00/96/1020230096.db2.gz IYFOMVKHKBGCJH-NJAFHUGGSA-N 2 0 322.443 3.922 20 0 DHADRP C1C[C@@H]([C@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C3CCCCC3)C2)CO1 ZINC000658227900 1020236241 /nfs/dbraw/zinc/23/62/41/1020236241.db2.gz DJSRGLLNCIEIGE-PIKOESSRSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)O1 ZINC000658217594 1020246811 /nfs/dbraw/zinc/24/68/11/1020246811.db2.gz FRSNMVGGXFZBAY-RWQQGDIJSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)O1 ZINC000658217591 1020247177 /nfs/dbraw/zinc/24/71/77/1020247177.db2.gz FRSNMVGGXFZBAY-PSBWJHGTSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658217682 1020247533 /nfs/dbraw/zinc/24/75/33/1020247533.db2.gz HIUMXUKFZYZPGW-XIRDDKMYSA-N 2 0 308.416 3.532 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC3(CC3(F)F)CC2)CC1 ZINC000658264802 1020262791 /nfs/dbraw/zinc/26/27/91/1020262791.db2.gz IBIKQODPAKPKJY-UHFFFAOYSA-N 2 0 300.437 3.807 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1cnc2ccccc2c1)Cc1ccccc1 ZINC000309993479 1020270443 /nfs/dbraw/zinc/27/04/43/1020270443.db2.gz MDVBQNAVGSITFW-UHFFFAOYSA-N 2 0 319.452 3.847 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658281227 1020274303 /nfs/dbraw/zinc/27/43/03/1020274303.db2.gz OEDKSQJVJJCAFN-FVQBIDKESA-N 2 0 314.464 3.910 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658281229 1020274865 /nfs/dbraw/zinc/27/48/65/1020274865.db2.gz OEDKSQJVJJCAFN-VNQPRFMTSA-N 2 0 314.464 3.910 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658281228 1020275606 /nfs/dbraw/zinc/27/56/06/1020275606.db2.gz OEDKSQJVJJCAFN-KBMXLJTQSA-N 2 0 314.464 3.910 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CCCC1 ZINC000658313609 1020295329 /nfs/dbraw/zinc/29/53/29/1020295329.db2.gz DWHVGEZATDDGDR-LSTHTHJFSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCc2ccco2)CC1 ZINC000658326093 1020302753 /nfs/dbraw/zinc/30/27/53/1020302753.db2.gz BHNUGVLCTNZJHU-APWZRJJASA-N 2 0 304.478 3.845 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000922846354 1020305510 /nfs/dbraw/zinc/30/55/10/1020305510.db2.gz YLNKQLHQDKZJLH-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1Cl ZINC000922847479 1020307086 /nfs/dbraw/zinc/30/70/86/1020307086.db2.gz RAIRSYOTZLWNMG-UHFFFAOYSA-N 2 0 322.880 3.845 20 0 DHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353053 1020319644 /nfs/dbraw/zinc/31/96/44/1020319644.db2.gz BPBQQLWCRUVADF-MRXNPFEDSA-N 2 0 318.480 3.858 20 0 DHADRP c1cncc([C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CCC2)c1 ZINC000658352554 1020321174 /nfs/dbraw/zinc/32/11/74/1020321174.db2.gz GVSJKRZISBNXSM-HXUWFJFHSA-N 2 0 313.489 3.634 20 0 DHADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357012 1020321914 /nfs/dbraw/zinc/32/19/14/1020321914.db2.gz MSOWBRDZWKZHKW-GOSISDBHSA-N 2 0 316.514 3.935 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000623657808 1020343674 /nfs/dbraw/zinc/34/36/74/1020343674.db2.gz ZMEAFSYIROQURT-HOCLYGCPSA-N 2 0 306.881 3.519 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000115628230 1020346134 /nfs/dbraw/zinc/34/61/34/1020346134.db2.gz HPFOOXSWCGLBND-CRAIPNDOSA-N 2 0 324.896 3.567 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000115628212 1020346445 /nfs/dbraw/zinc/34/64/45/1020346445.db2.gz FIUMCNITGRFTFH-UYAOXDASSA-N 2 0 318.505 3.530 20 0 DHADRP CC(C)(CC[NH+]1CCCCCC1)NCc1cnc(C2CC2)o1 ZINC000628241193 1020365612 /nfs/dbraw/zinc/36/56/12/1020365612.db2.gz LVPKYJDJKAUERS-UHFFFAOYSA-N 2 0 305.466 3.686 20 0 DHADRP CSC1(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000347776735 1020376613 /nfs/dbraw/zinc/37/66/13/1020376613.db2.gz IJJYFPOOCRWMMO-FUHWJXTLSA-N 2 0 318.530 3.867 20 0 DHADRP CCC[C@H](C)CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000625117376 1020377560 /nfs/dbraw/zinc/37/75/60/1020377560.db2.gz DFLIZPVNVHTGOG-UFYCRDLUSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000132589819 1020381231 /nfs/dbraw/zinc/38/12/31/1020381231.db2.gz MBDQFVYAEWPXBE-VXGBXAGGSA-N 2 0 301.261 3.608 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@]1(C)CCCS1 ZINC000628232573 1020425519 /nfs/dbraw/zinc/42/55/19/1020425519.db2.gz DVEKLDJUPZYNID-GOSISDBHSA-N 2 0 306.519 3.902 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000348016921 1020478503 /nfs/dbraw/zinc/47/85/03/1020478503.db2.gz NQWNIBAKOIAWKK-FQEVSTJZSA-N 2 0 316.489 3.784 20 0 DHADRP Cc1occc1CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000673811686 1020501810 /nfs/dbraw/zinc/50/18/10/1020501810.db2.gz OQZHNCIIULBZKY-UHFFFAOYSA-N 2 0 300.446 3.836 20 0 DHADRP c1nc2cc(NC(C3CC3)C3CC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001168743742 1020516260 /nfs/dbraw/zinc/51/62/60/1020516260.db2.gz LKMKGSOYJMPYLB-QGZVFWFLSA-N 2 0 324.472 3.951 20 0 DHADRP c1nc2cc(NC(C3CC3)C3CC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001168743741 1020516682 /nfs/dbraw/zinc/51/66/82/1020516682.db2.gz LKMKGSOYJMPYLB-KRWDZBQOSA-N 2 0 324.472 3.951 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](C)CCc2cccnc2)CCN1Cc1ccccc1 ZINC000172574327 1020529806 /nfs/dbraw/zinc/52/98/06/1020529806.db2.gz VWXXEDZIFKGDRJ-NQIIRXRSSA-N 2 0 323.484 3.609 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480295 1020551677 /nfs/dbraw/zinc/55/16/77/1020551677.db2.gz IYELAMCQSSNFCC-LEWJYISDSA-N 2 0 321.468 3.713 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000153604461 1020651919 /nfs/dbraw/zinc/65/19/19/1020651919.db2.gz IAXKCUKFUBFUIR-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP COc1c(C)cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000734849825 1020670529 /nfs/dbraw/zinc/67/05/29/1020670529.db2.gz OEYZNILBCBIIQD-KRWDZBQOSA-N 2 0 306.494 3.768 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205985637 1020703024 /nfs/dbraw/zinc/70/30/24/1020703024.db2.gz ZCHZEQUQDMPVPJ-STQMWFEESA-N 2 0 300.368 3.512 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)C1CCC([NH3+])CC1 ZINC001171959843 1032926832 /nfs/dbraw/zinc/92/68/32/1032926832.db2.gz IIMYOYWDFYXCJK-UWTIGNOOSA-N 2 0 314.395 3.838 20 0 DHADRP Cc1cnccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963529 1032932153 /nfs/dbraw/zinc/93/21/53/1032932153.db2.gz HVWKCADZTSISOD-FQEVSTJZSA-N 2 0 323.484 3.923 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171966293 1032936401 /nfs/dbraw/zinc/93/64/01/1032936401.db2.gz PHNUWDHVNXDZJX-CQSZACIVSA-N 2 0 316.411 3.910 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414150709 1020943592 /nfs/dbraw/zinc/94/35/92/1020943592.db2.gz PJMIOXJCVXMAKM-YSGRDPCXSA-N 2 0 316.489 3.684 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000537936358 1032945656 /nfs/dbraw/zinc/94/56/56/1032945656.db2.gz OGZPBUQSZGJBLE-LMCOJAPRSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000414171319 1020959233 /nfs/dbraw/zinc/95/92/33/1020959233.db2.gz DGXWTPFUKNSUMM-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000414170891 1020959397 /nfs/dbraw/zinc/95/93/97/1020959397.db2.gz CPUGSKVFISYUIJ-WMZOPIPTSA-N 2 0 302.462 3.530 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000414175291 1020962836 /nfs/dbraw/zinc/96/28/36/1020962836.db2.gz HJOGIDHGOTWHGD-APWZRJJASA-N 2 0 304.478 3.714 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000414198073 1020989724 /nfs/dbraw/zinc/98/97/24/1020989724.db2.gz VZWFLTULUYCUBJ-KXBFYZLASA-N 2 0 311.473 3.867 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCC[C@@H]4C[C@@H]42)C3)cc1 ZINC000414206082 1020993978 /nfs/dbraw/zinc/99/39/78/1020993978.db2.gz JECZYLHNVJFYBS-OXZADQLBSA-N 2 0 310.485 3.960 20 0 DHADRP C[C@H]1C[C@@H](Nc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000179756360 1020997025 /nfs/dbraw/zinc/99/70/25/1020997025.db2.gz VRAUFPVDPGWZHA-LPHOPBHVSA-N 2 0 301.478 3.567 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000414228006 1021016924 /nfs/dbraw/zinc/01/69/24/1021016924.db2.gz DCACWHBZYMMCNZ-LPWQTFTOSA-N 2 0 322.537 3.823 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)[C@H](C)C1 ZINC000414242763 1021027072 /nfs/dbraw/zinc/02/70/72/1021027072.db2.gz QGTNABPERNIIMV-RHSMWYFYSA-N 2 0 322.443 3.706 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000892584507 1021036679 /nfs/dbraw/zinc/03/66/79/1021036679.db2.gz LJNRCFBIQNUVJY-MRXNPFEDSA-N 2 0 320.525 3.825 20 0 DHADRP C([NH+]1CCCCCCC1)C1(C[NH+]2CCCCCCC2)COC1 ZINC000741753134 1021048608 /nfs/dbraw/zinc/04/86/08/1021048608.db2.gz OJYJJEXKOVYFKX-UHFFFAOYSA-N 2 0 308.510 3.535 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccnc1 ZINC000414342014 1021110827 /nfs/dbraw/zinc/11/08/27/1021110827.db2.gz WSWKFONAJPDJFK-UHFFFAOYSA-N 2 0 315.505 3.746 20 0 DHADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)C1CCC(C(F)(F)F)CC1 ZINC000423174656 1021141719 /nfs/dbraw/zinc/14/17/19/1021141719.db2.gz BQQMVTFYMDDNQE-IYXRBSQSSA-N 2 0 306.416 3.995 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCS2 ZINC000187187946 1021170238 /nfs/dbraw/zinc/17/02/38/1021170238.db2.gz WZISUMPQUATZME-NVXWUHKLSA-N 2 0 304.503 3.772 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000423343700 1021180386 /nfs/dbraw/zinc/18/03/86/1021180386.db2.gz XDBFTPYFERHUIQ-HSBZDZAISA-N 2 0 306.416 3.723 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423369568 1021188774 /nfs/dbraw/zinc/18/87/74/1021188774.db2.gz FDTWQUIKYWXKLR-ZNMIVQPWSA-N 2 0 311.267 3.760 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000423380343 1021195061 /nfs/dbraw/zinc/19/50/61/1021195061.db2.gz YLBPZMLVDCAUDV-AXFHLTTASA-N 2 0 317.296 3.740 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000423421048 1021199650 /nfs/dbraw/zinc/19/96/50/1021199650.db2.gz ASNMFGDTSWOWAW-RAZRRWHFSA-N 2 0 318.427 3.721 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1c(C)noc1C ZINC000924584299 1021246134 /nfs/dbraw/zinc/24/61/34/1021246134.db2.gz HNKCILAYPYULOH-CQSZACIVSA-N 2 0 315.461 3.984 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423486440 1021264276 /nfs/dbraw/zinc/26/42/76/1021264276.db2.gz SSXIVQBAKDVBLU-WFASDCNBSA-N 2 0 310.894 3.999 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171980026 1032965606 /nfs/dbraw/zinc/96/56/06/1032965606.db2.gz OKAVMRJKAFWTJH-NEWSRXKRSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000537971956 1032969755 /nfs/dbraw/zinc/96/97/55/1032969755.db2.gz ODNGHNJMUBWZFZ-OTWHNJEPSA-N 2 0 318.505 3.843 20 0 DHADRP CC1(C)C[C@@H](n2ccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC001171987671 1032969853 /nfs/dbraw/zinc/96/98/53/1032969853.db2.gz ZOTBZNKRXOJPQC-IBGZPJMESA-N 2 0 323.484 3.750 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000068635260 1021356450 /nfs/dbraw/zinc/35/64/50/1021356450.db2.gz MGZVTTUMKGYPPG-UHFFFAOYSA-N 2 0 306.416 3.960 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000624120571 1021391832 /nfs/dbraw/zinc/39/18/32/1021391832.db2.gz BTPFQHHCLKGFTE-KGLIPLIRSA-N 2 0 310.869 3.731 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000850078860 1021413298 /nfs/dbraw/zinc/41/32/98/1021413298.db2.gz YOEMDOOAPOGWBB-UHFFFAOYSA-N 2 0 302.384 3.706 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000167133412 1021440477 /nfs/dbraw/zinc/44/04/77/1021440477.db2.gz VJPKAJATELYEPV-CYBMUJFWSA-N 2 0 310.482 3.509 20 0 DHADRP Cc1nc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)sc1C ZINC000892696920 1021482768 /nfs/dbraw/zinc/48/27/68/1021482768.db2.gz PGVFILABFWESRW-UHFFFAOYSA-N 2 0 317.502 3.890 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000129451856 1021489477 /nfs/dbraw/zinc/48/94/77/1021489477.db2.gz MPBZAKMIMZWVCP-BXUZGUMPSA-N 2 0 301.261 3.608 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058518 1021507242 /nfs/dbraw/zinc/50/72/42/1021507242.db2.gz LCYIBQGVERYOFG-LSDHHAIUSA-N 2 0 300.421 3.971 20 0 DHADRP Clc1cccc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1Cl ZINC001207439386 1021517771 /nfs/dbraw/zinc/51/77/71/1021517771.db2.gz RCNCLJNKLAAZNS-ZDUSSCGKSA-N 2 0 313.272 3.782 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422426 1021524144 /nfs/dbraw/zinc/52/41/44/1021524144.db2.gz PWKTXBJXPKGRCG-OAHLLOKOSA-N 2 0 302.462 3.537 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000556104877 1021525403 /nfs/dbraw/zinc/52/54/03/1021525403.db2.gz MUZZHXLAKJEJPN-HNNXBMFYSA-N 2 0 307.457 3.629 20 0 DHADRP Cc1nc2c(n1[C@H]1CC[N@H+](C[C@H]3CCC(F)(F)C3)C1)CCCC2 ZINC000450784226 1021526850 /nfs/dbraw/zinc/52/68/50/1021526850.db2.gz HTGOPNVGXRTCGW-GJZGRUSLSA-N 2 0 323.431 3.753 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850443877 1021538175 /nfs/dbraw/zinc/53/81/75/1021538175.db2.gz VIRRQANGZRTPQG-OAHLLOKOSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123133 1021547669 /nfs/dbraw/zinc/54/76/69/1021547669.db2.gz GLYWCADBPJDPKF-CVEARBPZSA-N 2 0 300.446 3.685 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000850475348 1021557686 /nfs/dbraw/zinc/55/76/86/1021557686.db2.gz ZOXBRHWTPRKQNB-NNGSBXSVSA-N 2 0 302.462 3.535 20 0 DHADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093336948 1021561754 /nfs/dbraw/zinc/56/17/54/1021561754.db2.gz OMSITRHPFHNUNE-FQEVSTJZSA-N 2 0 324.468 3.649 20 0 DHADRP COC(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065754 1032989044 /nfs/dbraw/zinc/98/90/44/1032989044.db2.gz QGXUPCQEYAGWIZ-REPLKXPHSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000556148415 1021568496 /nfs/dbraw/zinc/56/84/96/1021568496.db2.gz BQGRDDGEEWNGHL-MNZLEMJZSA-N 2 0 304.478 3.572 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000538115626 1032990527 /nfs/dbraw/zinc/99/05/27/1032990527.db2.gz AZPKLQSYGKLPRL-ROUUACIJSA-N 2 0 324.896 3.738 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC001172099482 1032990528 /nfs/dbraw/zinc/99/05/28/1032990528.db2.gz IKWPLGZRGINRNX-PHZGNYQRSA-N 2 0 312.379 3.810 20 0 DHADRP C[C@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068376 1032993683 /nfs/dbraw/zinc/99/36/83/1032993683.db2.gz QKJVITOYPRMJDH-KANFNMMFSA-N 2 0 324.472 3.661 20 0 DHADRP C[C@H]([NH3+])c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068373 1032994772 /nfs/dbraw/zinc/99/47/72/1032994772.db2.gz QKJVITOYPRMJDH-GDAAHCPNSA-N 2 0 324.472 3.661 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000556221622 1021618368 /nfs/dbraw/zinc/61/83/68/1021618368.db2.gz BODSJEHZMQAPIF-MJGOQNOKSA-N 2 0 322.537 3.826 20 0 DHADRP CCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000093639365 1021638756 /nfs/dbraw/zinc/63/87/56/1021638756.db2.gz FUCJBFWBQXFMFW-QFBILLFUSA-N 2 0 304.478 3.638 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccoc2)ccc1OC ZINC000182555194 1021720948 /nfs/dbraw/zinc/72/09/48/1021720948.db2.gz GFCDVFQGICAADH-OAHLLOKOSA-N 2 0 316.445 3.981 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCSc3ccccc3C1)C2 ZINC001172131093 1032998599 /nfs/dbraw/zinc/99/85/99/1032998599.db2.gz UQWAVLOHLOPSGG-FVQHAEBGSA-N 2 0 302.487 3.610 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCOc1cccc(Cl)c1)C2 ZINC001172102262 1033005615 /nfs/dbraw/zinc/00/56/15/1033005615.db2.gz LNDCVZJAXSVKRP-BJWYYQGGSA-N 2 0 322.880 3.714 20 0 DHADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000261751436 1021824528 /nfs/dbraw/zinc/82/45/28/1021824528.db2.gz UTTRYXZZHAMLOK-PCCBWWKXSA-N 2 0 323.484 3.804 20 0 DHADRP CC(C)c1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172112794 1033011120 /nfs/dbraw/zinc/01/11/20/1033011120.db2.gz CNDCGTIJJOFYNQ-ACDBMABISA-N 2 0 300.490 3.957 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001172110841 1033013109 /nfs/dbraw/zinc/01/31/09/1033013109.db2.gz PXMGCRHGMPHIQX-KYHPRHEASA-N 2 0 319.880 3.791 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)CSC)ccc1OC ZINC000182995891 1021920283 /nfs/dbraw/zinc/92/02/83/1021920283.db2.gz BAAKSGHDKHDESE-HUUCEWRRSA-N 2 0 324.534 3.939 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000556879406 1021921973 /nfs/dbraw/zinc/92/19/73/1021921973.db2.gz SQDSIDYEIQXEFY-AXDKOMKPSA-N 2 0 316.464 3.924 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CCC1)C2 ZINC001172113901 1033018413 /nfs/dbraw/zinc/01/84/13/1033018413.db2.gz KMZCAPCIKNIDGE-PHZGNYQRSA-N 2 0 302.437 3.810 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)C1 ZINC000556934494 1021957597 /nfs/dbraw/zinc/95/75/97/1021957597.db2.gz WEBGOUWSUIDEAV-HKBOAZHASA-N 2 0 312.501 3.915 20 0 DHADRP C[NH+](C)C1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000188961717 1021970598 /nfs/dbraw/zinc/97/05/98/1021970598.db2.gz SIXRUZTYYCTELO-UHFFFAOYSA-N 2 0 300.490 3.986 20 0 DHADRP COc1c(C)cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000920180696 1022073432 /nfs/dbraw/zinc/07/34/32/1022073432.db2.gz WRRFHWUPEGACAN-OAHLLOKOSA-N 2 0 304.478 3.524 20 0 DHADRP COc1c(C)cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000920175398 1022075712 /nfs/dbraw/zinc/07/57/12/1022075712.db2.gz DYNPFHZKHTVFEI-KRWDZBQOSA-N 2 0 304.478 3.666 20 0 DHADRP CCC[C@@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000538306276 1033029896 /nfs/dbraw/zinc/02/98/96/1033029896.db2.gz LCCRBBGYRSRIEI-IBGZPJMESA-N 2 0 318.505 3.613 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(N2CCCC2)c1 ZINC000893168436 1022126010 /nfs/dbraw/zinc/12/60/10/1022126010.db2.gz MYFWMIOHVSEKAN-BPIHKTFHSA-N 2 0 313.489 3.563 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000338954188 1022193004 /nfs/dbraw/zinc/19/30/04/1022193004.db2.gz JUDHBNBNHKSFDE-INIZCTEOSA-N 2 0 312.461 3.976 20 0 DHADRP COc1ccc(Cl)cc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093665 1022218573 /nfs/dbraw/zinc/21/85/73/1022218573.db2.gz PUTPRBYDBNPXEE-OAHLLOKOSA-N 2 0 322.880 3.560 20 0 DHADRP COCCCC1(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000893202125 1022226308 /nfs/dbraw/zinc/22/63/08/1022226308.db2.gz ZOGRVHXRSZDPAQ-SFHVURJKSA-N 2 0 310.526 3.541 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169060121 1022235016 /nfs/dbraw/zinc/23/50/16/1022235016.db2.gz VZPDRSHKKSSGCY-HAGHYFMRSA-N 2 0 300.490 3.859 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cccc(Cl)c1Cl)C2 ZINC001169096403 1022243879 /nfs/dbraw/zinc/24/38/79/1022243879.db2.gz WAFIHRUECQTZDL-ZSOGYDGISA-N 2 0 313.272 3.751 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001169086822 1022256760 /nfs/dbraw/zinc/25/67/60/1022256760.db2.gz WOVSJMZOXNSQJM-IBGZPJMESA-N 2 0 300.490 3.671 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001169109049 1022268451 /nfs/dbraw/zinc/26/84/51/1022268451.db2.gz HCTBECQLRBRJKE-OSYLJGHBSA-N 2 0 302.462 3.579 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(Cl)c3)CCC1)C2 ZINC001169115584 1022270664 /nfs/dbraw/zinc/27/06/64/1022270664.db2.gz LCVWRDRQJLPUBE-OSYLJGHBSA-N 2 0 304.865 3.934 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142605 1022273965 /nfs/dbraw/zinc/27/39/65/1022273965.db2.gz DKSYJJHFHDMGLH-XFKSJGNHSA-N 2 0 314.473 3.847 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C3CC[NH2+]CC3)c3ccccc31)C2 ZINC001169143169 1022274333 /nfs/dbraw/zinc/27/43/33/1022274333.db2.gz YSBORWPHDVNRPV-PIIMJCKOSA-N 2 0 323.484 3.906 20 0 DHADRP CC1(C)C[C@H](Nc2cc(OCC3CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169147523 1022276679 /nfs/dbraw/zinc/27/66/79/1022276679.db2.gz XIYYGYWFWHJMGL-HNAYVOBHSA-N 2 0 317.477 3.826 20 0 DHADRP CC[NH+]1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC001169244168 1022320676 /nfs/dbraw/zinc/32/06/76/1022320676.db2.gz FIVBAFIOLKESQZ-GOSISDBHSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925551141 1022381023 /nfs/dbraw/zinc/38/10/23/1022381023.db2.gz AESBOXPCEITHSV-UYAOXDASSA-N 3 0 317.521 3.568 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268874754 1022385478 /nfs/dbraw/zinc/38/54/78/1022385478.db2.gz VECTUEIPMNOHNG-APWZRJJASA-N 2 0 310.441 3.535 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000268883710 1022386911 /nfs/dbraw/zinc/38/69/11/1022386911.db2.gz YGLCEASINYUILE-HUUCEWRRSA-N 2 0 322.518 3.800 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268874756 1022387771 /nfs/dbraw/zinc/38/77/71/1022387771.db2.gz VECTUEIPMNOHNG-QFBILLFUSA-N 2 0 310.441 3.535 20 0 DHADRP FCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000367626463 1022389054 /nfs/dbraw/zinc/38/90/54/1022389054.db2.gz OFJSUFMQGIPMLO-YOEHRIQHSA-N 2 0 310.482 3.830 20 0 DHADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000538397822 1033055284 /nfs/dbraw/zinc/05/52/84/1033055284.db2.gz CFTIPGWLUJMKQW-QZTJIDSGSA-N 2 0 310.526 3.536 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1(Cl)CC1 ZINC000695672170 1022438923 /nfs/dbraw/zinc/43/89/23/1022438923.db2.gz DTWAVZXCXUQORO-OAHLLOKOSA-N 2 0 306.881 3.648 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)sc2C)[C@H](C)C1 ZINC001169553849 1022448691 /nfs/dbraw/zinc/44/86/91/1022448691.db2.gz FNIUVBBGWDXUFA-RDTXWAMCSA-N 2 0 324.534 3.592 20 0 DHADRP C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396456909 1022473629 /nfs/dbraw/zinc/47/36/29/1022473629.db2.gz NGFWFYKMLAGORY-NSHDSACASA-N 2 0 301.261 3.813 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000272260284 1022497281 /nfs/dbraw/zinc/49/72/81/1022497281.db2.gz WZBWXLKWKZTKJM-ZWOKBUDYSA-N 2 0 309.457 3.643 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000272264906 1022497819 /nfs/dbraw/zinc/49/78/19/1022497819.db2.gz XPKJODRPGWZRBU-ZWOKBUDYSA-N 2 0 309.457 3.643 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272386597 1022501196 /nfs/dbraw/zinc/50/11/96/1022501196.db2.gz XFFDJBMLXYNSKT-JENIJYKNSA-N 2 0 318.505 3.690 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272386600 1022501725 /nfs/dbraw/zinc/50/17/25/1022501725.db2.gz XFFDJBMLXYNSKT-LNLFQRSKSA-N 2 0 318.505 3.690 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)N(C)C ZINC000671108697 1022526961 /nfs/dbraw/zinc/52/69/61/1022526961.db2.gz MNAIDVBMCDQJOQ-CABCVRRESA-N 2 0 301.478 3.764 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(C[NH+](C)C)c1 ZINC000925569285 1022541870 /nfs/dbraw/zinc/54/18/70/1022541870.db2.gz ZXMRTQNHNBBTJJ-OAHLLOKOSA-N 2 0 310.441 3.629 20 0 DHADRP C[C@@H]1C[N@H+](Cc2csc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206024372 1022589729 /nfs/dbraw/zinc/58/97/29/1022589729.db2.gz IXKRCYSIHRHLPZ-ZYHUDNBSSA-N 2 0 306.397 3.574 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000158139560 1022606591 /nfs/dbraw/zinc/60/65/91/1022606591.db2.gz OEZWYXASHHCNIG-HOTGVXAUSA-N 2 0 312.457 3.841 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC1 ZINC000538445769 1033067441 /nfs/dbraw/zinc/06/74/41/1033067441.db2.gz QTANVPAQURZLEC-UHFFFAOYSA-N 2 0 305.491 3.542 20 0 DHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660166346 1022619512 /nfs/dbraw/zinc/61/95/12/1022619512.db2.gz OMVLKOAPLCYSBY-REPLKXPHSA-N 2 0 313.489 3.666 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000584774413 1022731349 /nfs/dbraw/zinc/73/13/49/1022731349.db2.gz RIJROAJIRBPMMC-GFCCVEGCSA-N 2 0 302.434 3.694 20 0 DHADRP Cc1[nH+]c2c(n1C/C=C\Cn1c(C)[nH+]c3c1CCCC3)CCCC2 ZINC000584793275 1022747604 /nfs/dbraw/zinc/74/76/04/1022747604.db2.gz RPLWLWAVKOAZFR-FPLPWBNLSA-N 2 0 324.472 3.710 20 0 DHADRP Cc1ccccc1SC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000859140206 1033078946 /nfs/dbraw/zinc/07/89/46/1033078946.db2.gz LGKBHUXYUFXTNW-WBVHZDCISA-N 2 0 306.519 3.607 20 0 DHADRP CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605384 1022838982 /nfs/dbraw/zinc/83/89/82/1022838982.db2.gz WJKFTOMZHIYWOG-VQIMIIECSA-N 2 0 319.493 3.564 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417861865 1022874326 /nfs/dbraw/zinc/87/43/26/1022874326.db2.gz AXFCIUZEIFIRPJ-IHPCNDPISA-N 2 0 300.490 3.892 20 0 DHADRP Cc1cc(F)ncc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000893326034 1022895718 /nfs/dbraw/zinc/89/57/18/1022895718.db2.gz APECNNIYLSBPQI-UHFFFAOYSA-N 2 0 315.436 3.659 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414911117 1022910390 /nfs/dbraw/zinc/91/03/90/1022910390.db2.gz DLKZFBSOZWPARW-QZTJIDSGSA-N 2 0 310.441 3.722 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000414923261 1022913517 /nfs/dbraw/zinc/91/35/17/1022913517.db2.gz ICGQGVYOIAVVOO-YUMQZZPRSA-N 2 0 323.687 3.524 20 0 DHADRP CCOc1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000893328560 1022919355 /nfs/dbraw/zinc/91/93/55/1022919355.db2.gz ZHEPIWVHVMYBIM-UHFFFAOYSA-N 2 0 316.445 3.808 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172326846 1033089708 /nfs/dbraw/zinc/08/97/08/1033089708.db2.gz BJXHQQAHAIAOQJ-ZWKOTPCHSA-N 2 0 318.505 3.616 20 0 DHADRP Cc1ccc(C[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000298569686 1023032589 /nfs/dbraw/zinc/03/25/89/1023032589.db2.gz WWGIJTCELHOYMW-CQSZACIVSA-N 2 0 315.486 3.641 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CCO1 ZINC000387086829 1023120361 /nfs/dbraw/zinc/12/03/61/1023120361.db2.gz QUFRAIUCHMCOED-OALUTQOASA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C[C@@H]1C ZINC001172372797 1033106973 /nfs/dbraw/zinc/10/69/73/1033106973.db2.gz IZZWFZOVYPCYBF-VSZNYVQBSA-N 2 0 322.537 3.823 20 0 DHADRP CCOc1ccc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000337640176 1033112738 /nfs/dbraw/zinc/11/27/38/1033112738.db2.gz XFKYEUDMRSFMOH-UHFFFAOYSA-N 2 0 321.424 3.903 20 0 DHADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172381231 1033115494 /nfs/dbraw/zinc/11/54/94/1033115494.db2.gz YUZSCDBXTROVCV-SLFFLAALSA-N 2 0 323.569 3.551 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001172337300 1033120542 /nfs/dbraw/zinc/12/05/42/1033120542.db2.gz PNHYTVHPRJZTII-SJORKVTESA-N 2 0 310.526 3.967 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000194884150 1023325134 /nfs/dbraw/zinc/32/51/34/1023325134.db2.gz NDSAYEIRUVEZPM-VQIMIIECSA-N 2 0 316.489 3.783 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925719205 1023417066 /nfs/dbraw/zinc/41/70/66/1023417066.db2.gz MBNJJBLKFYMXPC-GJZGRUSLSA-N 2 0 302.453 3.816 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000772463407 1023557360 /nfs/dbraw/zinc/55/73/60/1023557360.db2.gz XPZVIQYPTHOGHG-AOCRQIFASA-N 2 0 301.478 3.838 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21)C1CC1 ZINC000651827916 1023576925 /nfs/dbraw/zinc/57/69/25/1023576925.db2.gz QVAMPEUPKDQSMT-OAHLLOKOSA-N 2 0 310.844 3.930 20 0 DHADRP C[C@@H]1CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172367172 1033147304 /nfs/dbraw/zinc/14/73/04/1033147304.db2.gz FTNFHXBVBKCKMB-YKXHTNLXSA-N 2 0 315.505 3.978 20 0 DHADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4oc5ccccc5c4c3)C[C@@H]2C1 ZINC000785938989 1023643406 /nfs/dbraw/zinc/64/34/06/1023643406.db2.gz BEQZPCXVTUAVSW-IYBDPMFKSA-N 2 0 306.409 3.579 20 0 DHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000164490682 1023714406 /nfs/dbraw/zinc/71/44/06/1023714406.db2.gz ZXNOOYBSZIYWHP-QGZVFWFLSA-N 2 0 316.470 3.507 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000652266589 1023723976 /nfs/dbraw/zinc/72/39/76/1023723976.db2.gz GVWAYPUTMXFMLA-SUMWQHHRSA-N 2 0 320.452 3.748 20 0 DHADRP CCOCC[C@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001172407201 1033156704 /nfs/dbraw/zinc/15/67/04/1033156704.db2.gz UIMCEWSGLIWMTH-SFHVURJKSA-N 2 0 318.505 3.693 20 0 DHADRP CCOCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172409064 1033157125 /nfs/dbraw/zinc/15/71/25/1033157125.db2.gz OSNRFNWHHBTDHT-FFGOWVMKSA-N 2 0 316.489 3.587 20 0 DHADRP CC[C@H]([NH2+]Cc1cncc(C[NH2+][C@@H](CC)C2CC2)c1)C1CC1 ZINC000661761858 1023733464 /nfs/dbraw/zinc/73/34/64/1023733464.db2.gz JQENBTHEJJLVAO-OALUTQOASA-N 2 0 301.478 3.638 20 0 DHADRP C[C@H]([NH2+]C1CC2(CCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000652326705 1023783279 /nfs/dbraw/zinc/78/32/79/1023783279.db2.gz LYURCBHGVCSFSV-HNNXBMFYSA-N 2 0 302.462 3.610 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc3ccccc32)C1 ZINC000652360687 1023816664 /nfs/dbraw/zinc/81/66/64/1023816664.db2.gz OBQUQNLPRZGXKW-GIVPXCGWSA-N 2 0 324.468 3.701 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)c1 ZINC000558222558 1023855205 /nfs/dbraw/zinc/85/52/05/1023855205.db2.gz RAGLDUVPBCHWDV-MSOLQXFVSA-N 2 0 304.478 3.541 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172433322 1033167429 /nfs/dbraw/zinc/16/74/29/1033167429.db2.gz HNAZPJUTVYXTIV-GOSISDBHSA-N 2 0 318.505 3.692 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC000788471924 1023889906 /nfs/dbraw/zinc/88/99/06/1023889906.db2.gz XAWUJXWYNJXPRD-IBGZPJMESA-N 2 0 302.462 3.564 20 0 DHADRP Cc1ccc(C[N@@H+](Cc2ccco2)CC2CC[NH+](C)CC2)s1 ZINC000788475644 1023891441 /nfs/dbraw/zinc/89/14/41/1023891441.db2.gz HYYVBRSDMFYXGG-UHFFFAOYSA-N 2 0 318.486 3.994 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000788488338 1023893664 /nfs/dbraw/zinc/89/36/64/1023893664.db2.gz KQQGNUNYSPYLAV-OAHLLOKOSA-N 2 0 318.358 3.751 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788498305 1023894909 /nfs/dbraw/zinc/89/49/09/1023894909.db2.gz NCZGHDIMWKMAAP-HIFRSBDPSA-N 2 0 309.885 3.822 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)[C@@H](C)C1 ZINC000253354822 1023936765 /nfs/dbraw/zinc/93/67/65/1023936765.db2.gz MQQCCTUDXJICGA-XLAORIBOSA-N 2 0 310.526 3.538 20 0 DHADRP COc1cc[nH+]c(N([C@@H](C)CCCC(C)C)C2CC[NH2+]CC2)c1 ZINC001170089764 1023939627 /nfs/dbraw/zinc/93/96/27/1023939627.db2.gz DBTBHYJRECTLCH-INIZCTEOSA-N 2 0 319.493 3.863 20 0 DHADRP CC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172393204 1033175925 /nfs/dbraw/zinc/17/59/25/1033175925.db2.gz ISLMJEMSJGKPDJ-IBGZPJMESA-N 2 0 303.494 3.708 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccccc2C)C[C@@H]1C ZINC000531141208 1024031033 /nfs/dbraw/zinc/03/10/33/1024031033.db2.gz RVHLHZIASLSZEP-ROUUACIJSA-N 2 0 304.478 3.569 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291131 1024071628 /nfs/dbraw/zinc/07/16/28/1024071628.db2.gz BKOWUSNGAOPVGE-CZUORRHYSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295359 1024077936 /nfs/dbraw/zinc/07/79/36/1024077936.db2.gz ZHNUGQCNUDBMMN-HOCLYGCPSA-N 2 0 319.493 3.745 20 0 DHADRP CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cn1 ZINC000268714853 1024145991 /nfs/dbraw/zinc/14/59/91/1024145991.db2.gz LWHNIWINMCGIIR-CABCVRRESA-N 2 0 309.417 3.501 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000268825468 1024171014 /nfs/dbraw/zinc/17/10/14/1024171014.db2.gz IYGIBAUEDLDZPL-DVOMOZLQSA-N 2 0 314.395 3.566 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347720 1024182239 /nfs/dbraw/zinc/18/22/39/1024182239.db2.gz TYDDRJKSIRAMGX-LJQANCHMSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001170123793 1024200164 /nfs/dbraw/zinc/20/01/64/1024200164.db2.gz DEHKTPPITBULSZ-JYBIWHBTSA-N 2 0 300.490 3.923 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268999791 1024214985 /nfs/dbraw/zinc/21/49/85/1024214985.db2.gz LIKASPUGOCZMKC-SFHVURJKSA-N 2 0 304.865 3.934 20 0 DHADRP CC(C)CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000531594978 1024238485 /nfs/dbraw/zinc/23/84/85/1024238485.db2.gz GYSQTXMXGNAYCS-UHFFFAOYSA-N 2 0 317.521 3.743 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883169597 1024264977 /nfs/dbraw/zinc/26/49/77/1024264977.db2.gz ZIDKZQOBXAILQE-LJQANCHMSA-N 2 0 322.468 3.613 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531682830 1024268274 /nfs/dbraw/zinc/26/82/74/1024268274.db2.gz DZABYSNHQGZNRW-MDZRGWNJSA-N 2 0 302.506 3.845 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000531683520 1024270347 /nfs/dbraw/zinc/27/03/47/1024270347.db2.gz SHDYYBXGEDVXRB-MBOZVWFJSA-N 2 0 318.505 3.726 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001172439440 1033199909 /nfs/dbraw/zinc/19/99/09/1033199909.db2.gz DQWPNVFSBBFFMH-KRWDZBQOSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000453090884 1024326068 /nfs/dbraw/zinc/32/60/68/1024326068.db2.gz POTBIJIPOQPBCH-ROUUACIJSA-N 2 0 303.494 3.647 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000282828941 1024329599 /nfs/dbraw/zinc/32/95/99/1024329599.db2.gz SDZUYGDBQWQCMC-UHFFFAOYSA-N 2 0 317.452 3.704 20 0 DHADRP Cc1nccn1CCC[NH2+][C@H](C)c1ccccc1Br ZINC000165628375 1024362369 /nfs/dbraw/zinc/36/23/69/1024362369.db2.gz HEXHBLFZCFFEEF-GFCCVEGCSA-N 2 0 322.250 3.695 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453139523 1024366519 /nfs/dbraw/zinc/36/65/19/1024366519.db2.gz AQZQXOXBYZUFMV-YDZRNGNQSA-N 2 0 316.514 3.525 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000270504681 1024397920 /nfs/dbraw/zinc/39/79/20/1024397920.db2.gz OEQJJLVRNJBTTK-GHMZBOCLSA-N 2 0 316.276 3.568 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663469886 1024421837 /nfs/dbraw/zinc/42/18/37/1024421837.db2.gz RLCOGGYOKUZJSJ-CZUORRHYSA-N 2 0 321.534 3.787 20 0 DHADRP Cc1cccc([C@H]2CC[N@@H+](Cc3ncc(CN(C)C)s3)C2)c1 ZINC000348226747 1024448433 /nfs/dbraw/zinc/44/84/33/1024448433.db2.gz DDOVLVPYKQDHML-INIZCTEOSA-N 2 0 315.486 3.503 20 0 DHADRP c1ccc2ncc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000271169476 1024464721 /nfs/dbraw/zinc/46/47/21/1024464721.db2.gz DGDQGBCKPAOXAB-KRWDZBQOSA-N 2 0 309.457 3.543 20 0 DHADRP Cc1ccc2c(cccc2Nc2cnc3c(c2)C[N@H+](C)CC3)n1 ZINC001212795234 1024465979 /nfs/dbraw/zinc/46/59/79/1024465979.db2.gz WJMNTRYTGPKGDM-UHFFFAOYSA-N 2 0 304.397 3.670 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000453334361 1024468304 /nfs/dbraw/zinc/46/83/04/1024468304.db2.gz HXIKGOPOAANVIP-YIZWMMSDSA-N 2 0 312.379 3.554 20 0 DHADRP C[N@H+](CCCC[NH2+]C1CCC(OC2CCCC2)CC1)C1CC1 ZINC000453387782 1024485386 /nfs/dbraw/zinc/48/53/86/1024485386.db2.gz BFLQGCWWWSSNRM-UHFFFAOYSA-N 2 0 308.510 3.721 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499517 1024490908 /nfs/dbraw/zinc/49/09/08/1024490908.db2.gz XVIHIQYTLBLNTN-WGMOCZARSA-N 2 0 324.390 3.683 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000663503025 1024494405 /nfs/dbraw/zinc/49/44/05/1024494405.db2.gz LXWXPXWULFTELF-IUODEOHRSA-N 2 0 302.384 3.599 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001167825555 1024494523 /nfs/dbraw/zinc/49/45/23/1024494523.db2.gz KAAOGNLKFQVCOJ-PMACEKPBSA-N 3 0 323.569 3.837 20 0 DHADRP c1cnc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271394123 1024497391 /nfs/dbraw/zinc/49/73/91/1024497391.db2.gz UNRVQLPSVPVPRV-WIYYLYMNSA-N 2 0 321.468 3.684 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000453400412 1024499890 /nfs/dbraw/zinc/49/98/90/1024499890.db2.gz MBPTYJYCOVDFEZ-AZUAARDMSA-N 2 0 300.490 3.862 20 0 DHADRP c1c2ccccc2oc1[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccnc1 ZINC000643497694 1024500556 /nfs/dbraw/zinc/50/05/56/1024500556.db2.gz VRPLMAGZELBBDO-FQEVSTJZSA-N 2 0 321.424 3.506 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(C)c1OC ZINC000453403754 1024501961 /nfs/dbraw/zinc/50/19/61/1024501961.db2.gz OSTPOLWJECDSIM-OAHLLOKOSA-N 2 0 320.477 3.537 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000453390695 1024510622 /nfs/dbraw/zinc/51/06/22/1024510622.db2.gz DDUDAIKNKUJFGT-JTQLQIEISA-N 2 0 321.412 3.687 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cnc2ccsc2c1 ZINC000453394809 1024510985 /nfs/dbraw/zinc/51/09/85/1024510985.db2.gz HEGNCYVFCIONCP-ZDUSSCGKSA-N 2 0 303.475 3.821 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000453421371 1024517330 /nfs/dbraw/zinc/51/73/30/1024517330.db2.gz LYTNTITXZMMOCP-ZIFCJYIRSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(OC(F)F)cc1 ZINC000453431413 1024519819 /nfs/dbraw/zinc/51/98/19/1024519819.db2.gz RKGMBFXMMNCRSG-ZDUSSCGKSA-N 2 0 312.404 3.813 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000315051548 1024534648 /nfs/dbraw/zinc/53/46/48/1024534648.db2.gz ZQVITBHZXMLJCU-INIZCTEOSA-N 2 0 304.478 3.856 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+][C@H]3CC34CC[NH2+]CC4)c(C)c2c1 ZINC000643535473 1024535783 /nfs/dbraw/zinc/53/57/83/1024535783.db2.gz MRUKSUPDXCZKTN-DYVFJYSZSA-N 2 0 314.429 3.543 20 0 DHADRP COc1cc2ccccc2cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453593157 1024536234 /nfs/dbraw/zinc/53/62/34/1024536234.db2.gz GJAHDNIPKGMHSS-UHFFFAOYSA-N 2 0 312.457 3.812 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000271576979 1024542615 /nfs/dbraw/zinc/54/26/15/1024542615.db2.gz ZTFUXMNODCNKHS-DLBZAZTESA-N 2 0 316.489 3.735 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532126323 1024558648 /nfs/dbraw/zinc/55/86/48/1024558648.db2.gz GGNQNYNJBAYGBR-LJQANCHMSA-N 2 0 322.537 3.922 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000532204917 1024574427 /nfs/dbraw/zinc/57/44/27/1024574427.db2.gz LLVLJUUFFNNIMN-XJKSGUPXSA-N 2 0 314.395 3.710 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000532216403 1024579909 /nfs/dbraw/zinc/57/99/09/1024579909.db2.gz VIADJAXPZZUCAC-LJQANCHMSA-N 2 0 304.478 3.541 20 0 DHADRP CC(C)Cc1ncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000161984285 1024583501 /nfs/dbraw/zinc/58/35/01/1024583501.db2.gz DBHODBVQIFOUBI-UHFFFAOYSA-N 2 0 317.502 3.693 20 0 DHADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001202611838 1024601084 /nfs/dbraw/zinc/60/10/84/1024601084.db2.gz NLMIRWGUJSTIOG-SJLPKXTDSA-N 2 0 318.505 3.653 20 0 DHADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000221996650 1024612413 /nfs/dbraw/zinc/61/24/13/1024612413.db2.gz PBQSGMBHEGKEQS-IUCAKERBSA-N 2 0 304.246 3.991 20 0 DHADRP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc[nH+]1 ZINC000390899549 1024619393 /nfs/dbraw/zinc/61/93/93/1024619393.db2.gz VCAGXHNTYNZPQG-IBGZPJMESA-N 2 0 309.457 3.525 20 0 DHADRP CC[N@H+](Cc1sccc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000348967874 1024655935 /nfs/dbraw/zinc/65/59/35/1024655935.db2.gz RAUWBCXDFHLPHT-UHFFFAOYSA-N 2 0 318.486 3.840 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(O)cc(F)c1 ZINC000349014327 1024661408 /nfs/dbraw/zinc/66/14/08/1024661408.db2.gz WWWZANCTEGVSOF-UHFFFAOYSA-N 2 0 316.420 3.615 20 0 DHADRP CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000166978418 1024668880 /nfs/dbraw/zinc/66/88/80/1024668880.db2.gz BVAAYWISAJOJJQ-CQSZACIVSA-N 2 0 324.428 3.836 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760161395 1024679844 /nfs/dbraw/zinc/67/98/44/1024679844.db2.gz UFUNURBQVFVBPV-NSHDSACASA-N 2 0 316.276 3.712 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc(CO)c1 ZINC000760165217 1024683200 /nfs/dbraw/zinc/68/32/00/1024683200.db2.gz AXYYEYQIUONCHM-PBPGXSGUSA-N 2 0 316.489 3.627 20 0 DHADRP CC[C@H]1C[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170191525 1024686352 /nfs/dbraw/zinc/68/63/52/1024686352.db2.gz IHGORXOYSJTNKB-OWYHZJEWSA-N 2 0 308.510 3.849 20 0 DHADRP CC[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001170198523 1024697592 /nfs/dbraw/zinc/69/75/92/1024697592.db2.gz XOBITIMZVHDEJW-IRXDYDNUSA-N 2 0 322.880 3.547 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877078452 1033231296 /nfs/dbraw/zinc/23/12/96/1033231296.db2.gz PZXSNXCKVRPEGH-CQSZACIVSA-N 2 0 307.309 3.528 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350511441 1024823091 /nfs/dbraw/zinc/82/30/91/1024823091.db2.gz KNASLUVWJGJERO-SFTDATJTSA-N 2 0 323.484 3.562 20 0 DHADRP CCC1(C[NH2+][C@H](C)[C@@H](C)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000539042401 1033249861 /nfs/dbraw/zinc/24/98/61/1033249861.db2.gz GJLRODZSULOADN-QZTJIDSGSA-N 2 0 318.505 3.692 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000353095416 1024943409 /nfs/dbraw/zinc/94/34/09/1024943409.db2.gz BMGANUGZOQFQSJ-UHFFFAOYSA-N 2 0 310.445 3.634 20 0 DHADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172554096 1033249226 /nfs/dbraw/zinc/24/92/26/1033249226.db2.gz WHESJVKRDJFLSF-WOJBJXKFSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000648482659 1025001727 /nfs/dbraw/zinc/00/17/27/1025001727.db2.gz FHLCAQWPKLWQCQ-CRAIPNDOSA-N 2 0 322.443 3.859 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCc3cc(F)ccc32)ccc1F ZINC000120819815 1025055703 /nfs/dbraw/zinc/05/57/03/1025055703.db2.gz AZORQYANULDDIS-LJQANCHMSA-N 2 0 316.395 3.804 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000391327530 1025081937 /nfs/dbraw/zinc/08/19/37/1025081937.db2.gz SAUJTDVJSRYZSY-GOSISDBHSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000166596943 1025082341 /nfs/dbraw/zinc/08/23/41/1025082341.db2.gz PZRQFDNWJBAFKF-LSDHHAIUSA-N 2 0 324.871 3.973 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C)c1 ZINC000353502454 1025092308 /nfs/dbraw/zinc/09/23/08/1025092308.db2.gz LKLYDFXFWPWXJF-GGPKGHCWSA-N 2 0 318.505 3.925 20 0 DHADRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565906 1033258790 /nfs/dbraw/zinc/25/87/90/1033258790.db2.gz PXEHLNLOGDSAAV-UXHICEINSA-N 2 0 321.468 3.848 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877146285 1033259403 /nfs/dbraw/zinc/25/94/03/1033259403.db2.gz WHPLGFNBIONBFI-HNNXBMFYSA-N 2 0 315.288 3.810 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000321656987 1025114602 /nfs/dbraw/zinc/11/46/02/1025114602.db2.gz RMUOHZYPWBFCJK-INIZCTEOSA-N 2 0 316.489 3.754 20 0 DHADRP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663780736 1025151879 /nfs/dbraw/zinc/15/18/79/1025151879.db2.gz WLRJVMLJKNBDIQ-RDJZCZTQSA-N 2 0 320.440 3.885 20 0 DHADRP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663780734 1025152738 /nfs/dbraw/zinc/15/27/38/1025152738.db2.gz WLRJVMLJKNBDIQ-DOTOQJQBSA-N 2 0 320.440 3.885 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000126378990 1033262549 /nfs/dbraw/zinc/26/25/49/1033262549.db2.gz SBHQLFKEBYWUHA-GFCCVEGCSA-N 2 0 314.445 3.994 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c3cccnc23)[C@@H](C)C1 ZINC000353747375 1025227424 /nfs/dbraw/zinc/22/74/24/1025227424.db2.gz ADONIFXCBBDCGD-KSSFIOAISA-N 2 0 315.436 3.536 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000539071061 1033268749 /nfs/dbraw/zinc/26/87/49/1033268749.db2.gz MTCGPPUOFOFADK-CEXWTWQISA-N 2 0 318.505 3.843 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000539072335 1033269974 /nfs/dbraw/zinc/26/99/74/1033269974.db2.gz PPCCTYVTUJZIGS-JTDSTZFVSA-N 2 0 318.505 3.681 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2cc[nH+]cc2C(F)(F)F)CC1(C)C ZINC001170451000 1025294703 /nfs/dbraw/zinc/29/47/03/1025294703.db2.gz HTKIPWDICBVXIB-UHFFFAOYSA-N 2 0 315.383 3.586 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261627936 1025301353 /nfs/dbraw/zinc/30/13/53/1025301353.db2.gz GWKPFYQRJYCFCP-XUVXKRRUSA-N 2 0 323.484 3.678 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000354166760 1025375143 /nfs/dbraw/zinc/37/51/43/1025375143.db2.gz MJPCVAWIRPXUDY-NRFANRHFSA-N 2 0 321.468 3.666 20 0 DHADRP CC1(C)CC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000885901659 1025401464 /nfs/dbraw/zinc/40/14/64/1025401464.db2.gz OENURAJPGKLLJP-OAHLLOKOSA-N 2 0 308.510 3.767 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CC[C@H]([NH3+])C3)c(C)c2c1 ZINC000925875835 1025402546 /nfs/dbraw/zinc/40/25/46/1025402546.db2.gz NTTUGDAFVSZFHU-MJBXVCDLSA-N 2 0 302.418 3.528 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000885908190 1025403039 /nfs/dbraw/zinc/40/30/39/1025403039.db2.gz MBBZSTFPYFBMPM-UHFFFAOYSA-N 2 0 317.864 3.867 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000885922833 1025405304 /nfs/dbraw/zinc/40/53/04/1025405304.db2.gz IWDSSRRUDLHSAK-UHFFFAOYSA-N 2 0 317.864 3.865 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885922747 1025406363 /nfs/dbraw/zinc/40/63/63/1025406363.db2.gz GXGWCHOJDXJDMC-MOPGFXCFSA-N 2 0 322.537 3.970 20 0 DHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCc2ccc(C)nc2)C1 ZINC000354331801 1025406663 /nfs/dbraw/zinc/40/66/63/1025406663.db2.gz SHCYPYDLHSJUFK-GOSISDBHSA-N 2 0 317.521 3.813 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2cccc(Br)c21 ZINC000925876418 1025408063 /nfs/dbraw/zinc/40/80/63/1025408063.db2.gz XNGWQPBUDWDNDM-OXIQGZBJSA-N 2 0 323.278 3.714 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885951722 1025416391 /nfs/dbraw/zinc/41/63/91/1025416391.db2.gz OVEYARJQYOCWNR-GOSISDBHSA-N 2 0 308.510 3.722 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000125856668 1025495905 /nfs/dbraw/zinc/49/59/05/1025495905.db2.gz OGUKPAWWAZXWEF-LSDHHAIUSA-N 2 0 321.534 3.793 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000126366601 1025508033 /nfs/dbraw/zinc/50/80/33/1025508033.db2.gz RZINABVMUZMTMJ-INIZCTEOSA-N 2 0 312.404 3.671 20 0 DHADRP C(CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)CC[NH+]1CCCC1 ZINC000886127479 1025520140 /nfs/dbraw/zinc/52/01/40/1025520140.db2.gz LLXWITRUVMYEKF-GOSISDBHSA-N 2 0 308.510 3.724 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628308958 1025569080 /nfs/dbraw/zinc/56/90/80/1025569080.db2.gz UEGXLGGYSQLQEM-HNNXBMFYSA-N 2 0 314.395 3.569 20 0 DHADRP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1CCC2 ZINC000355217286 1025643872 /nfs/dbraw/zinc/64/38/72/1025643872.db2.gz GGEZVLYDFLCPBQ-PZJWPPBQSA-N 2 0 310.485 3.624 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886517437 1025671795 /nfs/dbraw/zinc/67/17/95/1025671795.db2.gz CXNPIQPPRQFYRD-QGZVFWFLSA-N 2 0 303.425 3.616 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000130976748 1025677471 /nfs/dbraw/zinc/67/74/71/1025677471.db2.gz FMTIHIUIOHSCMA-BFHYXJOUSA-N 2 0 317.502 3.861 20 0 DHADRP CC(C)c1nnc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886538705 1025687385 /nfs/dbraw/zinc/68/73/85/1025687385.db2.gz MLEIITFQFSORKG-UHFFFAOYSA-N 2 0 322.522 3.548 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886543649 1025691042 /nfs/dbraw/zinc/69/10/42/1025691042.db2.gz RYEPGHVSJPGGRJ-IAFLDTSXSA-N 2 0 308.510 3.577 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCc4cccnc43)CC2)CC1 ZINC000886554709 1025699313 /nfs/dbraw/zinc/69/93/13/1025699313.db2.gz AKKKVZPYYUPTNJ-CTWPCTMYSA-N 2 0 313.489 3.702 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nc(C3CC3)cs2)CC1 ZINC000886551528 1025699565 /nfs/dbraw/zinc/69/95/65/1025699565.db2.gz JOSIXRYBPPCHLV-UHFFFAOYSA-N 2 0 319.518 3.907 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000886551226 1025700362 /nfs/dbraw/zinc/70/03/62/1025700362.db2.gz DWZGTRDQDBRHBH-XBMUEBEBSA-N 2 0 320.521 3.865 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCc4cccnc43)CC2)CC1 ZINC000886554708 1025700902 /nfs/dbraw/zinc/70/09/02/1025700902.db2.gz AKKKVZPYYUPTNJ-ACBHZAAOSA-N 2 0 313.489 3.702 20 0 DHADRP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1nccs1 ZINC000886589843 1025726488 /nfs/dbraw/zinc/72/64/88/1025726488.db2.gz HLDXPLXHZQRQMK-HPUBIQBYSA-N 2 0 307.507 3.633 20 0 DHADRP Cc1cnc([C@H](C)C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886589764 1025727238 /nfs/dbraw/zinc/72/72/38/1025727238.db2.gz DZVYRYBHQYNIHF-MXWWQKGMSA-N 2 0 321.534 3.942 20 0 DHADRP C[C@@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO[C@@H]1C1CC1 ZINC000886592398 1025728126 /nfs/dbraw/zinc/72/81/26/1025728126.db2.gz RUPFICJEZPOUBI-KAXARAQCSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]1CC(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000886606892 1025732520 /nfs/dbraw/zinc/73/25/20/1025732520.db2.gz ICYRJNUCVCJPFP-BEEJXANESA-N 2 0 322.537 3.967 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612555 1025735444 /nfs/dbraw/zinc/73/54/44/1025735444.db2.gz OMOGPLJSRJUYBR-KKUMJFAQSA-N 2 0 304.400 3.525 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000886635125 1025749473 /nfs/dbraw/zinc/74/94/73/1025749473.db2.gz WGILIAJNTKRISN-IAFLDTSXSA-N 2 0 308.510 3.721 20 0 DHADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886646669 1025757644 /nfs/dbraw/zinc/75/76/44/1025757644.db2.gz PUDQDLKJJBUMBY-DMRKSPOLSA-N 2 0 324.390 3.580 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000886646655 1025758849 /nfs/dbraw/zinc/75/88/49/1025758849.db2.gz OYVDZYDMYFDWDF-LHQJTOJGSA-N 2 0 320.521 3.578 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCOC1 ZINC000886651540 1025763170 /nfs/dbraw/zinc/76/31/70/1025763170.db2.gz IYQQWABSJSNPRE-BMHOQUIDSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806125491 1025792161 /nfs/dbraw/zinc/79/21/61/1025792161.db2.gz ALZWFHXKFCJANI-ZFWWWQNUSA-N 2 0 309.885 3.822 20 0 DHADRP COC1(C[C@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000759989608 1025814700 /nfs/dbraw/zinc/81/47/00/1025814700.db2.gz SUUQZFWPBZZRQG-KRWDZBQOSA-N 2 0 322.537 3.968 20 0 DHADRP Cc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000462522988 1025942730 /nfs/dbraw/zinc/94/27/30/1025942730.db2.gz GPWOXIQGGAQZEW-QUCCMNQESA-N 2 0 323.484 3.780 20 0 DHADRP CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000356122421 1025953391 /nfs/dbraw/zinc/95/33/91/1025953391.db2.gz HANFIBWKKLIIKI-MJGOQNOKSA-N 2 0 320.521 3.556 20 0 DHADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000356122422 1025953927 /nfs/dbraw/zinc/95/39/27/1025953927.db2.gz HANFIBWKKLIIKI-PKOBYXMFSA-N 2 0 320.521 3.556 20 0 DHADRP Cc1csc(C[C@@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n1 ZINC000886857976 1025968782 /nfs/dbraw/zinc/96/87/82/1025968782.db2.gz IKHQIGMVBGYVOA-INIZCTEOSA-N 2 0 309.523 3.615 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2c1 ZINC000411378408 1025974127 /nfs/dbraw/zinc/97/41/27/1025974127.db2.gz AIDPJQAVDVSEPL-MRXNPFEDSA-N 2 0 306.413 3.646 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000356297222 1026009563 /nfs/dbraw/zinc/00/95/63/1026009563.db2.gz BKAHWKMOKQMFBQ-MJGOQNOKSA-N 2 0 318.505 3.549 20 0 DHADRP C[N@H+](CC[C@H]1CCCO1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624885 1026080464 /nfs/dbraw/zinc/08/04/64/1026080464.db2.gz TWCVUDSDDZMTMT-HXUWFJFHSA-N 2 0 316.489 3.673 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261725546 1026105042 /nfs/dbraw/zinc/10/50/42/1026105042.db2.gz RCWIFVKUZBFVOR-LEWJYISDSA-N 2 0 323.484 3.763 20 0 DHADRP COC1(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCC1 ZINC000429424268 1026113542 /nfs/dbraw/zinc/11/35/42/1026113542.db2.gz ZPGFEWZVPLISBF-GVDBMIGSSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]1C[C@H](N(C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644306 1026118898 /nfs/dbraw/zinc/11/88/98/1026118898.db2.gz UBIQWMBIOBZLTQ-WCQYABFASA-N 2 0 318.358 3.759 20 0 DHADRP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647790135 1026124925 /nfs/dbraw/zinc/12/49/25/1026124925.db2.gz RYBZBABHIWFBJX-KONPQCLYSA-N 2 0 302.462 3.514 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCCO2 ZINC000356796839 1026174074 /nfs/dbraw/zinc/17/40/74/1026174074.db2.gz ZBXAFXTUOGRILL-KRWDZBQOSA-N 2 0 302.462 3.530 20 0 DHADRP CS[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245745622 1026192571 /nfs/dbraw/zinc/19/25/71/1026192571.db2.gz SLILWPAHBWRURR-OWLYRPNTSA-N 2 0 304.503 3.523 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C(C2CC2)C2CC2)C3)cc1 ZINC000245778678 1026209956 /nfs/dbraw/zinc/20/99/56/1026209956.db2.gz YPIALJZCFBIUIU-ACDBMABISA-N 2 0 310.485 3.960 20 0 DHADRP Clc1cccc(Cl)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727890 1026375686 /nfs/dbraw/zinc/37/56/86/1026375686.db2.gz URESOUJAKYUJEP-UHFFFAOYSA-N 2 0 313.272 3.959 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000513656949 1026552618 /nfs/dbraw/zinc/55/26/18/1026552618.db2.gz ZLRAVIXZNLMYGE-OWCLPIDISA-N 2 0 312.379 3.668 20 0 DHADRP COCc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809736974 1026609167 /nfs/dbraw/zinc/60/91/67/1026609167.db2.gz AFYOCQIABCLYEU-UHFFFAOYSA-N 2 0 312.457 3.527 20 0 DHADRP Cc1nccn1CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280299216 1026627710 /nfs/dbraw/zinc/62/77/10/1026627710.db2.gz VPUVZOLBJVJAPT-UHFFFAOYSA-N 2 0 301.821 3.634 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)cc1 ZINC000513697186 1026667503 /nfs/dbraw/zinc/66/75/03/1026667503.db2.gz KQVVLDQVAPFHOH-TVPLGVNVSA-N 2 0 302.462 3.609 20 0 DHADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420263411 1026791912 /nfs/dbraw/zinc/79/19/12/1026791912.db2.gz SLTMIWJLCZXVEC-KGLIPLIRSA-N 2 0 315.848 3.551 20 0 DHADRP Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420256971 1026792463 /nfs/dbraw/zinc/79/24/63/1026792463.db2.gz HZFNGRFYHOOQGU-XJKSGUPXSA-N 2 0 315.848 3.693 20 0 DHADRP c1ccc(C[N@@H+](CCCC2CCCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420312709 1026799276 /nfs/dbraw/zinc/79/92/76/1026799276.db2.gz OTYNLMNEYDTYKD-HXUWFJFHSA-N 2 0 315.505 3.996 20 0 DHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420303594 1026800187 /nfs/dbraw/zinc/80/01/87/1026800187.db2.gz KTUNXUCQIPAGBH-QWHCGFSZSA-N 2 0 300.368 3.698 20 0 DHADRP c1ccc2sc([C@H]3CCC[N@H+]3CC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000420311482 1026801673 /nfs/dbraw/zinc/80/16/73/1026801673.db2.gz WAHWWDSSYZHSRW-GOEBONIOSA-N 2 0 315.486 3.823 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000420317579 1026802964 /nfs/dbraw/zinc/80/29/64/1026802964.db2.gz ZLVAOHMXQIQNFM-ZOBUZTSGSA-N 2 0 322.880 3.686 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000420317133 1026803648 /nfs/dbraw/zinc/80/36/48/1026803648.db2.gz NGQYCAXBQPIIFW-QUCCMNQESA-N 2 0 310.441 3.575 20 0 DHADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420332086 1026805473 /nfs/dbraw/zinc/80/54/73/1026805473.db2.gz RHEVGQYYCHBAMF-OXJNMPFZSA-N 2 0 324.468 3.588 20 0 DHADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329549 1026806099 /nfs/dbraw/zinc/80/60/99/1026806099.db2.gz OQTQBCBOJPFDAA-HBUWYVDXSA-N 2 0 308.416 3.737 20 0 DHADRP c1sc(C2CCCC2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335533 1026807054 /nfs/dbraw/zinc/80/70/54/1026807054.db2.gz VDHNWKBJZBKWOE-CVEARBPZSA-N 2 0 319.518 3.622 20 0 DHADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329551 1026807649 /nfs/dbraw/zinc/80/76/49/1026807649.db2.gz OQTQBCBOJPFDAA-QWQRMKEZSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420391934 1026811996 /nfs/dbraw/zinc/81/19/96/1026811996.db2.gz OVPHRJDPYCVOKQ-FSPWUOQZSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000420385003 1026812529 /nfs/dbraw/zinc/81/25/29/1026812529.db2.gz FAPSOJKYHAVUAT-OXJNMPFZSA-N 2 0 309.457 3.507 20 0 DHADRP CCCC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924931582 1026944410 /nfs/dbraw/zinc/94/44/10/1026944410.db2.gz VGHBJYKUVJUCEO-DHVPZBTDSA-N 2 0 308.510 3.577 20 0 DHADRP [NH3+]C1CCC(N(c2cc[nH+]cc2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170639673 1027046598 /nfs/dbraw/zinc/04/65/98/1027046598.db2.gz CHFNXHCLJAJOKY-ZYKFHVCXSA-N 2 0 307.441 3.714 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1Cl ZINC000421822407 1027056784 /nfs/dbraw/zinc/05/67/84/1027056784.db2.gz WTYIUCQOJJNOHA-LSDHHAIUSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCC1CC[NH+](C)CC1 ZINC000421825549 1027059056 /nfs/dbraw/zinc/05/90/56/1027059056.db2.gz OECSQDMAIQRDCP-ZDUSSCGKSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnc2ccsc2c1 ZINC000421877756 1027078014 /nfs/dbraw/zinc/07/80/14/1027078014.db2.gz MHPOICYUMZMSEE-GRTSSRMGSA-N 2 0 303.475 3.820 20 0 DHADRP CCCC[C@@H](CC)[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001257425768 1027105493 /nfs/dbraw/zinc/10/54/93/1027105493.db2.gz YTBXCDCVTAXXJX-LJQANCHMSA-N 2 0 311.558 3.695 20 0 DHADRP Cc1nccn1CC[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000271783855 1027144556 /nfs/dbraw/zinc/14/45/56/1027144556.db2.gz LEZHIICXGIMAFY-OAHLLOKOSA-N 2 0 306.413 3.604 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c2ccccc12 ZINC000271889237 1027173496 /nfs/dbraw/zinc/17/34/96/1027173496.db2.gz RNYUHVZJFJSXII-OAHLLOKOSA-N 2 0 310.441 3.761 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](CNCc2csc(Cl)c2Cl)C1 ZINC000572167178 1027175553 /nfs/dbraw/zinc/17/55/53/1027175553.db2.gz UBZSYYIJNCSKML-SNVBAGLBSA-N 2 0 307.290 3.875 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931727691 1027235353 /nfs/dbraw/zinc/23/53/53/1027235353.db2.gz WKJLWOFCZCIIQP-YUELXQCFSA-N 2 0 310.388 3.518 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000572989789 1027251203 /nfs/dbraw/zinc/25/12/03/1027251203.db2.gz MUBAIXJNIZOVSN-HZMBPMFUSA-N 2 0 321.877 3.902 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170677354 1027279287 /nfs/dbraw/zinc/27/92/87/1027279287.db2.gz ODRCNQWWOGILQD-BRWVUGGUSA-N 2 0 322.443 3.802 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1c1ccccc1 ZINC000422555107 1027282079 /nfs/dbraw/zinc/28/20/79/1027282079.db2.gz OHZHMNDENOAUNQ-RTWAWAEBSA-N 2 0 306.453 3.738 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000422709495 1027296865 /nfs/dbraw/zinc/29/68/65/1027296865.db2.gz DQVBCQMQEVDNPX-GDBMZVCRSA-N 2 0 310.507 3.592 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000422706828 1027297227 /nfs/dbraw/zinc/29/72/27/1027297227.db2.gz VFCHXTVTZHJMQW-BEFAXECRSA-N 2 0 300.421 3.827 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000422729274 1027298903 /nfs/dbraw/zinc/29/89/03/1027298903.db2.gz KGMWGCNQGABICU-ZSFPCNDZSA-N 2 0 303.494 3.960 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422716361 1027304164 /nfs/dbraw/zinc/30/41/64/1027304164.db2.gz JZDRCXDOTASPSF-ZDUSSCGKSA-N 2 0 302.384 3.745 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422758584 1027304794 /nfs/dbraw/zinc/30/47/94/1027304794.db2.gz KLAYHDQSCJGZCY-LPHOPBHVSA-N 2 0 314.498 3.790 20 0 DHADRP CN(CCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422745036 1027312308 /nfs/dbraw/zinc/31/23/08/1027312308.db2.gz XBLJYOVPKAZHQR-PMACEKPBSA-N 2 0 309.457 3.637 20 0 DHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422754845 1027313073 /nfs/dbraw/zinc/31/30/73/1027313073.db2.gz GGMZNSWVLAAXHF-BNEJOLLZSA-N 2 0 302.462 3.562 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCSc1ccccc1 ZINC000422768223 1027314833 /nfs/dbraw/zinc/31/48/33/1027314833.db2.gz ZHVQXKDSJKKSIC-LPHOPBHVSA-N 2 0 314.498 3.717 20 0 DHADRP CCC(CC)(CN[C@H](C)C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422756769 1027315988 /nfs/dbraw/zinc/31/59/88/1027315988.db2.gz HJGINWCHLKZLJO-BBWFWOEESA-N 2 0 305.510 3.611 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422776937 1027320426 /nfs/dbraw/zinc/32/04/26/1027320426.db2.gz BHHORYLWPXJEPK-GJZGRUSLSA-N 2 0 312.379 3.597 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422786311 1027322970 /nfs/dbraw/zinc/32/29/70/1027322970.db2.gz KTYQWVADXXCTHL-BZZMCLGOSA-N 2 0 304.503 3.678 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422784430 1027324502 /nfs/dbraw/zinc/32/45/02/1027324502.db2.gz MBHNBAVWUOTMHN-DLBZAZTESA-N 2 0 315.486 3.602 20 0 DHADRP c1cncc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422801627 1027326999 /nfs/dbraw/zinc/32/69/99/1027326999.db2.gz CFDHZOQFTQJPRZ-QHAWAJNXSA-N 2 0 321.468 3.759 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000422798699 1027327621 /nfs/dbraw/zinc/32/76/21/1027327621.db2.gz SLEJNHBPYUONJQ-NWDGAFQWSA-N 2 0 319.399 3.581 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422814954 1027330205 /nfs/dbraw/zinc/33/02/05/1027330205.db2.gz WNWOTGSJWANSHT-MJKGWSOKSA-N 2 0 314.473 3.801 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422789498 1027331854 /nfs/dbraw/zinc/33/18/54/1027331854.db2.gz WXZUPYLHUTXEHU-IRFCIJBXSA-N 2 0 322.452 3.983 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2SCCc3ccccc32)c2ccccc21 ZINC000422838286 1027337926 /nfs/dbraw/zinc/33/79/26/1027337926.db2.gz OALKGLJOTKBXJD-QYZOEREBSA-N 2 0 310.466 3.751 20 0 DHADRP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C2CC[NH2+]CC2)cc1C ZINC000422850189 1027338828 /nfs/dbraw/zinc/33/88/28/1027338828.db2.gz NESODZRRTKOKQR-NRFANRHFSA-N 2 0 308.469 3.929 20 0 DHADRP CCO[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000422816615 1027339598 /nfs/dbraw/zinc/33/95/98/1027339598.db2.gz BAORHEBBGBUKLJ-GUDVDZBRSA-N 2 0 302.462 3.706 20 0 DHADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422838031 1027340446 /nfs/dbraw/zinc/34/04/46/1027340446.db2.gz NPWPRYZCUZGBMD-XOKHGSTOSA-N 2 0 307.507 3.564 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000422856425 1027341319 /nfs/dbraw/zinc/34/13/19/1027341319.db2.gz FFXOAYHUSQQAPM-SOUVJXGZSA-N 2 0 316.445 3.789 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000422856422 1027341890 /nfs/dbraw/zinc/34/18/90/1027341890.db2.gz FFXOAYHUSQQAPM-QLFBSQMISA-N 2 0 316.445 3.789 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c2c1 ZINC000422852552 1027342011 /nfs/dbraw/zinc/34/20/11/1027342011.db2.gz XYWPCHZTNQQPKS-ICSRJNTNSA-N 2 0 305.425 3.753 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c(C)c2c1 ZINC000422858189 1027342547 /nfs/dbraw/zinc/34/25/47/1027342547.db2.gz HZIXJOJKHLUGCY-OCCSQVGLSA-N 2 0 304.434 3.918 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000422853109 1027343236 /nfs/dbraw/zinc/34/32/36/1027343236.db2.gz BKFGNNLWYLUKFG-SUMWQHHRSA-N 2 0 313.470 3.736 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422860065 1027343573 /nfs/dbraw/zinc/34/35/73/1027343573.db2.gz KZZLVAMOBGEVBE-QZTJIDSGSA-N 3 0 317.521 3.668 20 0 DHADRP CCOCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000573956369 1027346080 /nfs/dbraw/zinc/34/60/80/1027346080.db2.gz YHFCVASIQICEBV-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422842784 1027348026 /nfs/dbraw/zinc/34/80/26/1027348026.db2.gz GKNCEGAAZYSFNY-IPMKNSEASA-N 2 0 311.473 3.529 20 0 DHADRP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422915313 1027359761 /nfs/dbraw/zinc/35/97/61/1027359761.db2.gz ASULVSQBSMEHCS-HZPDHXFCSA-N 2 0 311.473 3.747 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422892985 1027362534 /nfs/dbraw/zinc/36/25/34/1027362534.db2.gz ZZKCICKZSWSMSM-OXQOHEQNSA-N 2 0 312.457 3.586 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC(F)(F)F)c1 ZINC000422928834 1027363933 /nfs/dbraw/zinc/36/39/33/1027363933.db2.gz MXYBLCYHPKBMEF-BKQLOGFTSA-N 2 0 314.351 3.519 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000422943209 1027368523 /nfs/dbraw/zinc/36/85/23/1027368523.db2.gz XROWPNKTNNEENO-ZDUSSCGKSA-N 2 0 315.848 3.842 20 0 DHADRP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917674 1027368925 /nfs/dbraw/zinc/36/89/25/1027368925.db2.gz FLWXJSKNTIUJND-QWHCGFSZSA-N 2 0 318.383 3.580 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OCCC(C)C ZINC000422942497 1027370519 /nfs/dbraw/zinc/37/05/19/1027370519.db2.gz KMJIFCWFUJRIBO-XHSDSOJGSA-N 2 0 322.493 3.897 20 0 DHADRP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422940642 1027370684 /nfs/dbraw/zinc/37/06/84/1027370684.db2.gz HIMUXEUCYZZBJQ-OALUTQOASA-N 2 0 310.441 3.707 20 0 DHADRP CSCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000574240783 1027378468 /nfs/dbraw/zinc/37/84/68/1027378468.db2.gz STOPDOXTFGBCPX-OAHLLOKOSA-N 2 0 312.548 3.563 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1Cl ZINC000422955461 1027379805 /nfs/dbraw/zinc/37/98/05/1027379805.db2.gz LYOKNBOEYZTYCQ-UGSOOPFHSA-N 2 0 320.839 3.570 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422984748 1027386712 /nfs/dbraw/zinc/38/67/12/1027386712.db2.gz ZAYBWAWFSLHLQA-QFBILLFUSA-N 2 0 304.478 3.578 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422981481 1027387797 /nfs/dbraw/zinc/38/77/97/1027387797.db2.gz OHXMTGXDWKRVJZ-YSIASYRMSA-N 2 0 316.489 3.578 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000422998469 1027388004 /nfs/dbraw/zinc/38/80/04/1027388004.db2.gz CVMIGSYXZSCXHP-RTBURBONSA-N 2 0 304.478 3.652 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423016769 1027389473 /nfs/dbraw/zinc/38/94/73/1027389473.db2.gz UNQMOIZQQQTRFQ-JCGIZDLHSA-N 2 0 320.427 3.507 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012420 1027390915 /nfs/dbraw/zinc/39/09/15/1027390915.db2.gz KUYCNBGBSKMIOO-NEPJUHHUSA-N 2 0 323.893 3.721 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423048904 1027393872 /nfs/dbraw/zinc/39/38/72/1027393872.db2.gz JJPFZXNEVMWNOP-SFTDATJTSA-N 2 0 308.469 3.557 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423025030 1027397343 /nfs/dbraw/zinc/39/73/43/1027397343.db2.gz NFWAYZJXNYFARW-FZMZJTMJSA-N 2 0 306.347 3.926 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])CCC2 ZINC000423027654 1027398579 /nfs/dbraw/zinc/39/85/79/1027398579.db2.gz RSDDOMPFJYQLNH-ZVEHZALQSA-N 2 0 316.489 3.529 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423045535 1027400474 /nfs/dbraw/zinc/40/04/74/1027400474.db2.gz SOKJIQHJFGSAOF-CCKFTAQKSA-N 2 0 302.437 3.739 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423054613 1027404326 /nfs/dbraw/zinc/40/43/26/1027404326.db2.gz BXHOUZHLOWEJQD-CEXWTWQISA-N 2 0 318.530 3.950 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423095837 1027413422 /nfs/dbraw/zinc/41/34/22/1027413422.db2.gz NEAPGHROFUNOKK-UHXUCMFUSA-N 2 0 300.368 3.667 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423098143 1027415248 /nfs/dbraw/zinc/41/52/48/1027415248.db2.gz CCWGFEQJBNQUDL-DJIMGWMZSA-N 2 0 322.880 3.749 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423096336 1027415330 /nfs/dbraw/zinc/41/53/30/1027415330.db2.gz HLEOWZAQUZASQK-PKNZVCHQSA-N 2 0 310.844 3.703 20 0 DHADRP Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423097682 1027415689 /nfs/dbraw/zinc/41/56/89/1027415689.db2.gz RCQYGQMIOHBONX-NZSAHSFTSA-N 2 0 304.453 3.659 20 0 DHADRP COCCC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423100371 1027418164 /nfs/dbraw/zinc/41/81/64/1027418164.db2.gz GUJGYMNSCAXMEC-LZLYRXPVSA-N 2 0 324.896 3.567 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423129117 1027420802 /nfs/dbraw/zinc/42/08/02/1027420802.db2.gz DQWOGFGVBVWAIO-ZFWWWQNUSA-N 2 0 302.384 3.830 20 0 DHADRP CC(C)(C)C(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423120962 1027421039 /nfs/dbraw/zinc/42/10/39/1027421039.db2.gz ADAUBDUSAOJQLJ-JXFKEZNVSA-N 2 0 316.489 3.904 20 0 DHADRP c1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2s1 ZINC000423123392 1027421216 /nfs/dbraw/zinc/42/12/16/1027421216.db2.gz MPKINTHQOPTTAG-GVDBMIGSSA-N 2 0 300.471 3.912 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000423120976 1027421342 /nfs/dbraw/zinc/42/13/42/1027421342.db2.gz AEKPYNATMSXKQU-YHUYVZNPSA-N 2 0 316.464 3.972 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423125384 1027422178 /nfs/dbraw/zinc/42/21/78/1027422178.db2.gz HYSXSHHISSLDTR-JSGCOSHPSA-N 2 0 311.420 3.715 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Oc2cccnc2)cc1 ZINC000423124482 1027422514 /nfs/dbraw/zinc/42/25/14/1027422514.db2.gz MNPNJCFQYXDBJS-NAZJXLNTSA-N 2 0 323.440 3.808 20 0 DHADRP CCSc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423125390 1027422530 /nfs/dbraw/zinc/42/25/30/1027422530.db2.gz HZCZPDWMSSMSRH-RCCFBDPRSA-N 2 0 304.503 3.809 20 0 DHADRP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423127997 1027422680 /nfs/dbraw/zinc/42/26/80/1027422680.db2.gz CTVQPVILNUTEHP-BRWVUGGUSA-N 2 0 308.416 3.809 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H](C)c2cnccc2N)cc1 ZINC000423109387 1027424420 /nfs/dbraw/zinc/42/44/20/1027424420.db2.gz NQYHLUMNTABADW-HUUCEWRRSA-N 2 0 313.445 3.736 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CCC2)c1 ZINC000423106162 1027424703 /nfs/dbraw/zinc/42/47/03/1027424703.db2.gz OLFAQUUCNRIDJR-INIZCTEOSA-N 2 0 312.379 3.888 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155972 1027431991 /nfs/dbraw/zinc/43/19/91/1027431991.db2.gz KIDQCYXINBDBQA-ILZDJORESA-N 2 0 314.473 3.967 20 0 DHADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924960953 1027434867 /nfs/dbraw/zinc/43/48/67/1027434867.db2.gz UURWQNMGEIAUPV-OALUTQOASA-N 2 0 310.526 3.683 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423135899 1027435516 /nfs/dbraw/zinc/43/55/16/1027435516.db2.gz ONSBMJQXBJIBIF-FVQBIDKESA-N 2 0 314.395 3.843 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC000423175773 1027441459 /nfs/dbraw/zinc/44/14/59/1027441459.db2.gz BHURXPCUTPJIFZ-AWEZNQCLSA-N 2 0 310.869 3.538 20 0 DHADRP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423175406 1027442290 /nfs/dbraw/zinc/44/22/90/1027442290.db2.gz AGCLVWZNMBHOGM-INIZCTEOSA-N 2 0 323.278 3.558 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423213077 1027448221 /nfs/dbraw/zinc/44/82/21/1027448221.db2.gz MVHDSAOLDIIJKI-CZUORRHYSA-N 2 0 314.395 3.992 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423212390 1027448610 /nfs/dbraw/zinc/44/86/10/1027448610.db2.gz LRMJTPZDNYWTQT-QAPCUYQASA-N 2 0 302.462 3.613 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423188171 1027450401 /nfs/dbraw/zinc/45/04/01/1027450401.db2.gz PSTXDNJZFCLVTH-GFCCVEGCSA-N 2 0 304.434 3.957 20 0 DHADRP C[NH2+]CCC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423200373 1027452691 /nfs/dbraw/zinc/45/26/91/1027452691.db2.gz MBBWYMOXCQJJAM-CYBMUJFWSA-N 2 0 303.475 3.687 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423206517 1027454955 /nfs/dbraw/zinc/45/49/55/1027454955.db2.gz FYYDTUSFTCHICS-IEBWSBKVSA-N 2 0 324.468 3.916 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423217136 1027459150 /nfs/dbraw/zinc/45/91/50/1027459150.db2.gz SZANBRQKYKGOOY-WIYYLYMNSA-N 2 0 324.468 3.568 20 0 DHADRP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423215806 1027460031 /nfs/dbraw/zinc/46/00/31/1027460031.db2.gz OXFXRPWDOGTPMU-AVJHPGPQSA-N 2 0 311.256 3.853 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423221187 1027462731 /nfs/dbraw/zinc/46/27/31/1027462731.db2.gz ZFCHLUWUKYGTEC-SWLSCSKDSA-N 2 0 316.367 3.626 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)cs1 ZINC000423218761 1027463317 /nfs/dbraw/zinc/46/33/17/1027463317.db2.gz VZPTYXHEHZQYNK-WCQYABFASA-N 2 0 321.515 3.830 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423225869 1027464736 /nfs/dbraw/zinc/46/47/36/1027464736.db2.gz OOEDPPZXAMFGOA-DLBZAZTESA-N 2 0 304.478 3.680 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@@H]1CCC[NH2+]1 ZINC000423242281 1027471962 /nfs/dbraw/zinc/47/19/62/1027471962.db2.gz VJZNAOYFZJLFFA-WFASDCNBSA-N 2 0 301.459 3.521 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423256351 1027477595 /nfs/dbraw/zinc/47/75/95/1027477595.db2.gz BPNREONCEDYIPB-VBNZEHGJSA-N 2 0 314.395 3.787 20 0 DHADRP CC[C@H](N[C@@H](C[NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000423258585 1027480029 /nfs/dbraw/zinc/48/00/29/1027480029.db2.gz CAEBNUWAMVWTLQ-OCCSQVGLSA-N 2 0 300.393 3.702 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000562523379 1027481673 /nfs/dbraw/zinc/48/16/73/1027481673.db2.gz MUTCACLLLIRYDS-IBGZPJMESA-N 2 0 322.468 3.615 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423282777 1027482435 /nfs/dbraw/zinc/48/24/35/1027482435.db2.gz WXPIOIRBZQSSLQ-RYUDHWBXSA-N 2 0 320.424 3.847 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423282225 1027483278 /nfs/dbraw/zinc/48/32/78/1027483278.db2.gz CLQWXHSMWQJTHT-RDJZCZTQSA-N 2 0 322.468 3.968 20 0 DHADRP Cc1cnccc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000295905939 1027485310 /nfs/dbraw/zinc/48/53/10/1027485310.db2.gz ZHVFEIPTLBMIOS-UHFFFAOYSA-N 2 0 301.478 3.523 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423291310 1027486132 /nfs/dbraw/zinc/48/61/32/1027486132.db2.gz HUJHVERJNMDHOH-IRXDYDNUSA-N 2 0 324.896 3.537 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000423293405 1027486186 /nfs/dbraw/zinc/48/61/86/1027486186.db2.gz RHBJUOLPQSWKQR-APPDUMDISA-N 2 0 302.368 3.762 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423293526 1027486574 /nfs/dbraw/zinc/48/65/74/1027486574.db2.gz ABRPCONSUZTHSH-RISCZKNCSA-N 2 0 319.449 3.511 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423314657 1027497357 /nfs/dbraw/zinc/49/73/57/1027497357.db2.gz HLYHROHTIHAIRV-CABCVRRESA-N 2 0 300.368 3.729 20 0 DHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)ccc1F ZINC000423293850 1027502462 /nfs/dbraw/zinc/50/24/62/1027502462.db2.gz SFYKVNYJOQTTIJ-CHWSQXEVSA-N 2 0 302.393 3.705 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000423295317 1027504449 /nfs/dbraw/zinc/50/44/49/1027504449.db2.gz WLNIHMZGIMLGCY-QWHCGFSZSA-N 2 0 302.393 3.705 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423297821 1027504831 /nfs/dbraw/zinc/50/48/31/1027504831.db2.gz LZXMSDWGGDGBGP-HUUCEWRRSA-N 2 0 316.420 3.650 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423323240 1027506629 /nfs/dbraw/zinc/50/66/29/1027506629.db2.gz AEPUASQJOFRAEX-XJKSGUPXSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423328304 1027509125 /nfs/dbraw/zinc/50/91/25/1027509125.db2.gz APLRVDDZLNUPOZ-QGZVFWFLSA-N 2 0 322.452 3.836 20 0 DHADRP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423330438 1027510382 /nfs/dbraw/zinc/51/03/82/1027510382.db2.gz NTBMNYNJELBDAK-WBVHZDCISA-N 2 0 312.404 3.718 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000423356947 1027519628 /nfs/dbraw/zinc/51/96/28/1027519628.db2.gz HQEOSHPOOHVVEY-SOLBZPMBSA-N 2 0 320.452 3.592 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC[NH2+]1 ZINC000423365950 1027524871 /nfs/dbraw/zinc/52/48/71/1027524871.db2.gz CHXBIOXGRQEPFX-RLCCDNCMSA-N 2 0 323.278 3.630 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(Br)c1 ZINC000423383689 1027527922 /nfs/dbraw/zinc/52/79/22/1027527922.db2.gz KOWYTQHSWVKWTM-WCQGTBRESA-N 2 0 315.230 3.509 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423392421 1027531444 /nfs/dbraw/zinc/53/14/44/1027531444.db2.gz QCICHIKCNLAEKM-ZDUSSCGKSA-N 2 0 316.395 3.679 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423375233 1027534304 /nfs/dbraw/zinc/53/43/04/1027534304.db2.gz DAGVGYOPQOXKNC-XNRPHZJLSA-N 2 0 314.395 3.929 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC[NH2+]1 ZINC000423393970 1027534643 /nfs/dbraw/zinc/53/46/43/1027534643.db2.gz ZCDAUXSTJNYFFN-DIOULYMOSA-N 2 0 323.278 3.557 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423405850 1027537045 /nfs/dbraw/zinc/53/70/45/1027537045.db2.gz UCSCZXQRDBWTBU-CZAAIQMYSA-N 2 0 324.468 3.567 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000423406867 1027538756 /nfs/dbraw/zinc/53/87/56/1027538756.db2.gz VFGAIJWGKMACLW-CQDKDKBSSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423425763 1027538851 /nfs/dbraw/zinc/53/88/51/1027538851.db2.gz HCJUMAZSCYNQPJ-QWRGUYRKSA-N 2 0 304.356 3.595 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000423408371 1027539701 /nfs/dbraw/zinc/53/97/01/1027539701.db2.gz XIUZVTJMGFOBBR-JRGCBEDISA-N 2 0 308.469 3.948 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423445205 1027542938 /nfs/dbraw/zinc/54/29/38/1027542938.db2.gz MLNTXDPUHGNXIU-AZHAFVHUSA-N 2 0 300.368 3.667 20 0 DHADRP Cc1cc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)ccc1F ZINC000423445996 1027543584 /nfs/dbraw/zinc/54/35/84/1027543584.db2.gz SIFJOXXUNFWLRW-QXAKKESOSA-N 2 0 302.437 3.563 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423432513 1027551238 /nfs/dbraw/zinc/55/12/38/1027551238.db2.gz WGPYXSONSFUYPO-RBSFLKMASA-N 2 0 310.432 3.641 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1SC ZINC000423470561 1027557337 /nfs/dbraw/zinc/55/73/37/1027557337.db2.gz WNYCNEBGOULAPL-YDHLFZDLSA-N 2 0 308.491 3.585 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423479865 1027561681 /nfs/dbraw/zinc/56/16/81/1027561681.db2.gz VIVUQXYNXPAYST-GZBFAFLISA-N 2 0 310.869 3.907 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423508061 1027566207 /nfs/dbraw/zinc/56/62/07/1027566207.db2.gz NIZZVALLZURFOK-IVMMDQJWSA-N 2 0 314.395 3.744 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423485589 1027569755 /nfs/dbraw/zinc/56/97/55/1027569755.db2.gz AZYDLKRIAILVRE-UXLLHSPISA-N 2 0 320.477 3.652 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000296189103 1027570776 /nfs/dbraw/zinc/57/07/76/1027570776.db2.gz YKEQQFJEAWDCTQ-BRWVUGGUSA-N 2 0 308.416 3.532 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@H](C)C1 ZINC000576167518 1027575138 /nfs/dbraw/zinc/57/51/38/1027575138.db2.gz FYADEHLHUNGOLI-CPFNUKBASA-N 2 0 310.526 3.538 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775603 1027599692 /nfs/dbraw/zinc/59/96/92/1027599692.db2.gz VBXSWFXHQJCNRU-HOCLYGCPSA-N 2 0 312.379 3.622 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2C)C2CC2)C1 ZINC000576654442 1027642576 /nfs/dbraw/zinc/64/25/76/1027642576.db2.gz QAYUIFPVTXRXOV-FXAWDEMLSA-N 2 0 300.490 3.638 20 0 DHADRP C[NH+](C)Cc1ccc(CSCC[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC001170710447 1027691200 /nfs/dbraw/zinc/69/12/00/1027691200.db2.gz DUZPDMXJHZNLGZ-AYGBPOKTSA-N 2 0 322.518 3.599 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2c1C ZINC000577131652 1027714230 /nfs/dbraw/zinc/71/42/30/1027714230.db2.gz WEAFVCDCVBTHID-HQRMLTQVSA-N 2 0 311.473 3.747 20 0 DHADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000577270526 1027736997 /nfs/dbraw/zinc/73/69/97/1027736997.db2.gz APJNPYCVGQGQCL-SFHVURJKSA-N 2 0 322.537 3.562 20 0 DHADRP CCC1(C[NH2+]CC2(F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000527524347 1027744786 /nfs/dbraw/zinc/74/47/86/1027744786.db2.gz WUCKCHSEFCDNFF-UHFFFAOYSA-N 2 0 304.453 3.771 20 0 DHADRP C[C@H](C[NH2+][C@H](C)c1ccc(SC(F)F)cc1)C[NH+](C)C ZINC000813876954 1027748315 /nfs/dbraw/zinc/74/83/15/1027748315.db2.gz FIOSUHIZRSMNPL-VXGBXAGGSA-N 2 0 302.434 3.850 20 0 DHADRP CC[C@@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813881329 1027750796 /nfs/dbraw/zinc/75/07/96/1027750796.db2.gz OFOMAPXTYKOQQM-UMQXSMKFSA-N 2 0 316.489 3.587 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccnc(C)c2)CC1)CC(C)C ZINC000527539169 1027762615 /nfs/dbraw/zinc/76/26/15/1027762615.db2.gz OXFJCWRDQFGHNE-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccncc3Cl)CC2)CC1 ZINC000527680651 1027841445 /nfs/dbraw/zinc/84/14/45/1027841445.db2.gz ATHRCOMPWVJWIB-UHFFFAOYSA-N 2 0 321.896 3.868 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000577648509 1027862174 /nfs/dbraw/zinc/86/21/74/1027862174.db2.gz UPNBIQHWBJSTHQ-VQTJNVASSA-N 2 0 323.569 3.621 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC12CC2 ZINC000527856520 1027923371 /nfs/dbraw/zinc/92/33/71/1027923371.db2.gz SPSFFMXWOJGLTC-YOEHRIQHSA-N 2 0 304.503 3.738 20 0 DHADRP CN(Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365328164 1027925370 /nfs/dbraw/zinc/92/53/70/1027925370.db2.gz RXVXKYBRTRDYMD-WCRBZPEASA-N 2 0 321.468 3.709 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@H]1CC12CC2 ZINC000527867059 1027928913 /nfs/dbraw/zinc/92/89/13/1027928913.db2.gz NMGAOGWIEHSMCZ-MPTYRVRUSA-N 2 0 304.503 3.909 20 0 DHADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000365619818 1027984048 /nfs/dbraw/zinc/98/40/48/1027984048.db2.gz BUTYJUIMHNFQDM-ZDUSSCGKSA-N 2 0 318.490 3.554 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cc2)cc1 ZINC000563351281 1028009867 /nfs/dbraw/zinc/00/98/67/1028009867.db2.gz YCQJDWUEGBWWIX-YLJYHZDGSA-N 2 0 324.468 3.886 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367050712 1028128033 /nfs/dbraw/zinc/12/80/33/1028128033.db2.gz RRJGJPWFJKLPRY-UYAOXDASSA-N 2 0 315.505 3.819 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000367087666 1028136153 /nfs/dbraw/zinc/13/61/53/1028136153.db2.gz YSCRWKCFTVFNKG-DCCYDQLOSA-N 2 0 322.537 3.824 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)c1 ZINC000367194629 1028147924 /nfs/dbraw/zinc/14/79/24/1028147924.db2.gz ZZIKWFUGDBIMAW-JQHSSLGASA-N 2 0 304.503 3.738 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn3ccccc3n2)c1 ZINC000563670504 1028159511 /nfs/dbraw/zinc/15/95/11/1028159511.db2.gz RYPJPIMIVGBHMF-MRXNPFEDSA-N 2 0 322.456 3.637 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC[NH+](C)CC1 ZINC000578822651 1028251535 /nfs/dbraw/zinc/25/15/35/1028251535.db2.gz QEDORUAWCMHLBF-INIZCTEOSA-N 2 0 306.519 3.781 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2ccco2)CC1 ZINC000449063326 1028298916 /nfs/dbraw/zinc/29/89/16/1028298916.db2.gz PAAZCNOPLYBHPF-QGZVFWFLSA-N 2 0 312.457 3.507 20 0 DHADRP CSC1(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000368213601 1028316251 /nfs/dbraw/zinc/31/62/51/1028316251.db2.gz BMPGPKYIZPDKRV-HIFRSBDPSA-N 2 0 310.532 3.616 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000368446047 1028356297 /nfs/dbraw/zinc/35/62/97/1028356297.db2.gz RUXAOJUDMRVIHL-OXJNMPFZSA-N 2 0 316.489 3.567 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449104006 1028356553 /nfs/dbraw/zinc/35/65/53/1028356553.db2.gz DELYZDOEDANOSG-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP Cc1cc(Br)ccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000579238770 1028359488 /nfs/dbraw/zinc/35/94/88/1028359488.db2.gz WNOMHJCWLUPXLY-UHFFFAOYSA-N 2 0 319.246 3.506 20 0 DHADRP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000579258486 1028362513 /nfs/dbraw/zinc/36/25/13/1028362513.db2.gz ONCMSGVTKAIKTQ-OGWHTMIXSA-N 2 0 302.462 3.545 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000449120114 1028373930 /nfs/dbraw/zinc/37/39/30/1028373930.db2.gz BQZMDJCRBWTSGI-UXHICEINSA-N 2 0 312.501 3.863 20 0 DHADRP COc1cccc2c(C[NH2+]CCC3CC[NH+](C)CC3)cccc12 ZINC000449130757 1028384019 /nfs/dbraw/zinc/38/40/19/1028384019.db2.gz HQIDEYHAPSGLGC-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP COc1cc2ccccc2cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000449131743 1028387902 /nfs/dbraw/zinc/38/79/02/1028387902.db2.gz PGJZQESFKPHZFB-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CC(C)[C@@H](O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449153613 1028404693 /nfs/dbraw/zinc/40/46/93/1028404693.db2.gz KJLVVDRSGZVQCF-KRWDZBQOSA-N 2 0 312.542 3.662 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449173661 1028417371 /nfs/dbraw/zinc/41/73/71/1028417371.db2.gz GGPWPTIJZWDYCY-UHFFFAOYSA-N 2 0 315.461 3.676 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000449160739 1028420883 /nfs/dbraw/zinc/42/08/83/1028420883.db2.gz MZOCPIPLGIAOKI-FUHWJXTLSA-N 2 0 324.553 3.806 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2CC2CCC(C(F)(F)F)CC2)CC1 ZINC000368964287 1028428421 /nfs/dbraw/zinc/42/84/21/1028428421.db2.gz FMINWDAXDNCYRP-UHFFFAOYSA-N 2 0 318.427 3.915 20 0 DHADRP CSCC1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000449181647 1028437143 /nfs/dbraw/zinc/43/71/43/1028437143.db2.gz ICHLCGXOLKMNLO-UHFFFAOYSA-N 2 0 310.551 3.905 20 0 DHADRP C[NH+]1CCC(CC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000579579642 1028441719 /nfs/dbraw/zinc/44/17/19/1028441719.db2.gz ISKPFHXHJQEWGI-UHFFFAOYSA-N 2 0 312.860 3.733 20 0 DHADRP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000449232888 1028471410 /nfs/dbraw/zinc/47/14/10/1028471410.db2.gz JOQBGKAGSDUCHD-IEBWSBKVSA-N 2 0 300.490 3.780 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000449267591 1028494379 /nfs/dbraw/zinc/49/43/79/1028494379.db2.gz AEHSHLPJLBPCDB-KSZLIROESA-N 2 0 322.537 3.823 20 0 DHADRP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc2ccccc21 ZINC000449330946 1028541024 /nfs/dbraw/zinc/54/10/24/1028541024.db2.gz MSKMHJAEBDUGIG-QUCCMNQESA-N 2 0 324.468 3.765 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000565157377 1028549229 /nfs/dbraw/zinc/54/92/29/1028549229.db2.gz RBLPWCCHSMZDSN-WFASDCNBSA-N 2 0 304.434 3.866 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000449320787 1028551074 /nfs/dbraw/zinc/55/10/74/1028551074.db2.gz POPLVXOLJIIYII-VQIMIIECSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000370252052 1028579913 /nfs/dbraw/zinc/57/99/13/1028579913.db2.gz MLERFEHIEQGOGD-QKYXUNIQSA-N 2 0 310.441 3.736 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[NH+](C)CC1 ZINC000565393365 1028583684 /nfs/dbraw/zinc/58/36/84/1028583684.db2.gz WMBQTJDWFOCIKJ-MRXNPFEDSA-N 2 0 324.921 3.744 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(C)(F)F)CC1 ZINC000449354038 1028587233 /nfs/dbraw/zinc/58/72/33/1028587233.db2.gz JNKNVFAXNBRBAK-HNNXBMFYSA-N 2 0 310.432 3.717 20 0 DHADRP C[N@H+](CCCC1CCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000370392818 1028597159 /nfs/dbraw/zinc/59/71/59/1028597159.db2.gz BQQPPCWCQDMZQY-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1cc(CNCC(C)(C)C[N@H+](C)Cc2ccccc2)ccn1 ZINC000449400562 1028617822 /nfs/dbraw/zinc/61/78/22/1028617822.db2.gz BUPKHAYFKAOOIQ-UHFFFAOYSA-N 2 0 311.473 3.638 20 0 DHADRP c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000370612159 1028622854 /nfs/dbraw/zinc/62/28/54/1028622854.db2.gz JCSNXYCEKICLRX-UHFFFAOYSA-N 2 0 311.473 3.707 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@]2(C)c2cccs2)CC1 ZINC000370623853 1028626921 /nfs/dbraw/zinc/62/69/21/1028626921.db2.gz CQURXZDHFRYXKH-KSSFIOAISA-N 2 0 306.519 3.878 20 0 DHADRP COCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000370624981 1028627157 /nfs/dbraw/zinc/62/71/57/1028627157.db2.gz SMTQRPQHDBXMFR-GOSISDBHSA-N 2 0 318.505 3.612 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000370671272 1028633910 /nfs/dbraw/zinc/63/39/10/1028633910.db2.gz PENLBHFKBRUNFQ-QEJZJMRPSA-N 2 0 308.466 3.825 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1cccs1 ZINC000370676278 1028634316 /nfs/dbraw/zinc/63/43/16/1028634316.db2.gz IVYBQAUWIIJTGN-LUKYLMHMSA-N 2 0 322.518 3.678 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1cccs1 ZINC000370676277 1028634705 /nfs/dbraw/zinc/63/47/05/1028634705.db2.gz IVYBQAUWIIJTGN-LTIDMASMSA-N 2 0 322.518 3.678 20 0 DHADRP CC[NH+]1CCC([NH2+]C/C=C\c2ccc(Br)cc2)CC1 ZINC000449457987 1028663411 /nfs/dbraw/zinc/66/34/11/1028663411.db2.gz ORGMFVZBYOEMCP-ARJAWSKDSA-N 2 0 323.278 3.536 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccncc2)[C@H](C)C1 ZINC000371207747 1028676011 /nfs/dbraw/zinc/67/60/11/1028676011.db2.gz FNOBYAKPRHFZNW-UZLBHIALSA-N 2 0 309.457 3.569 20 0 DHADRP Cc1ncsc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449467211 1028685259 /nfs/dbraw/zinc/68/52/59/1028685259.db2.gz KYYGLUNJDYGMCA-PBHICJAKSA-N 2 0 321.534 3.627 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000371351283 1028695574 /nfs/dbraw/zinc/69/55/74/1028695574.db2.gz FLDTYLSXQXSYTB-GOSISDBHSA-N 2 0 323.484 3.687 20 0 DHADRP CO[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000449491884 1028703015 /nfs/dbraw/zinc/70/30/15/1028703015.db2.gz AYYQXDRJNSOUNE-PKOBYXMFSA-N 2 0 318.505 3.501 20 0 DHADRP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000566481271 1028732433 /nfs/dbraw/zinc/73/24/33/1028732433.db2.gz GNIQBEWWALSEJQ-YTQUADARSA-N 2 0 315.505 3.510 20 0 DHADRP CCCOC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC000567429385 1028894219 /nfs/dbraw/zinc/89/42/19/1028894219.db2.gz LKZSJGGZCXMDQW-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC[C@@H]1CCOC1 ZINC000449685081 1028909613 /nfs/dbraw/zinc/90/96/13/1028909613.db2.gz RCKBTRIPBKUCOJ-LJQANCHMSA-N 2 0 318.505 3.551 20 0 DHADRP Cc1ccc2ccnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000567750490 1028946468 /nfs/dbraw/zinc/94/64/68/1028946468.db2.gz ZKGXQUKSAFQKBT-PXNSSMCTSA-N 2 0 321.468 3.996 20 0 DHADRP CCO[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000193424558 1029000428 /nfs/dbraw/zinc/00/04/28/1029000428.db2.gz DTHHGQQSPVJWKP-GOSISDBHSA-N 2 0 304.478 3.617 20 0 DHADRP Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000628353050 1029013842 /nfs/dbraw/zinc/01/38/42/1029013842.db2.gz FQXILYRYVATOAW-PKOBYXMFSA-N 2 0 300.490 3.810 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000373384627 1029027858 /nfs/dbraw/zinc/02/78/58/1029027858.db2.gz NUYXDNJNUYHKPQ-MDNKFWRPSA-N 2 0 315.505 3.879 20 0 DHADRP Cc1ccncc1CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000373386239 1029029818 /nfs/dbraw/zinc/02/98/18/1029029818.db2.gz RYESOLSVPJRSDX-KRWDZBQOSA-N 2 0 309.457 3.705 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1c(Cl)cccc1Cl ZINC000568248721 1029031292 /nfs/dbraw/zinc/03/12/92/1029031292.db2.gz YQFXRTIVXCYPOO-WOPDTQHZSA-N 2 0 301.261 3.956 20 0 DHADRP Cc1sc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc1-c1ccccc1 ZINC000568248223 1029031805 /nfs/dbraw/zinc/03/18/05/1029031805.db2.gz KVTFNMHXBWQNCZ-CVEARBPZSA-N 2 0 315.486 3.521 20 0 DHADRP CC(C)COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000568328880 1029047595 /nfs/dbraw/zinc/04/75/95/1029047595.db2.gz SMHFEEOJEZASCX-DFNIBXOVSA-N 2 0 316.489 3.778 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000628425321 1029051519 /nfs/dbraw/zinc/05/15/19/1029051519.db2.gz HHKKRFSMZRLWAC-MUYFXNHWSA-N 2 0 316.489 3.740 20 0 DHADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCCOC1 ZINC000411283458 1029089526 /nfs/dbraw/zinc/08/95/26/1029089526.db2.gz WKQWVIZJLDCRFB-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000568580683 1029095542 /nfs/dbraw/zinc/09/55/42/1029095542.db2.gz MZTOIOKFJGEEKG-IBGZPJMESA-N 2 0 306.469 3.714 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCO1 ZINC000411520520 1029150284 /nfs/dbraw/zinc/15/02/84/1029150284.db2.gz WFNUDUKLQMMMIR-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411716825 1029188874 /nfs/dbraw/zinc/18/88/74/1029188874.db2.gz HHBCOGGIAYQKQH-YJBOKZPZSA-N 2 0 304.503 3.514 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411804416 1029212637 /nfs/dbraw/zinc/21/26/37/1029212637.db2.gz GPOKSLJMGDVZNG-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP CN(CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C1CCCC1 ZINC000374203946 1029237492 /nfs/dbraw/zinc/23/74/92/1029237492.db2.gz GQGASIRPLBAXKA-AEFFLSMTSA-N 2 0 301.478 3.572 20 0 DHADRP C[C@@H](CC[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000569732467 1029258666 /nfs/dbraw/zinc/25/86/66/1029258666.db2.gz CKGVLAFYOYBEPE-FXAWDEMLSA-N 2 0 300.490 3.844 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)c2ccccc21 ZINC000817895607 1029269449 /nfs/dbraw/zinc/26/94/49/1029269449.db2.gz ZJSBZRYVJXCZIR-HKBOAZHASA-N 2 0 322.452 3.889 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000817896838 1029269515 /nfs/dbraw/zinc/26/95/15/1029269515.db2.gz WGABCCKYQFSWLI-UHFFFAOYSA-N 2 0 304.821 3.960 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000817946765 1029287337 /nfs/dbraw/zinc/28/73/37/1029287337.db2.gz DPUOVOJIJMHMOM-IHRRRGAJSA-N 2 0 310.869 3.696 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817946920 1029287699 /nfs/dbraw/zinc/28/76/99/1029287699.db2.gz HUHRXYXHGFCBFF-GARJFASQSA-N 2 0 316.276 3.614 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000817948404 1029290196 /nfs/dbraw/zinc/29/01/96/1029290196.db2.gz JDPQGTDTEQLJRC-GOSISDBHSA-N 2 0 300.833 3.618 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(Cl)c(F)c1 ZINC000817947314 1029291001 /nfs/dbraw/zinc/29/10/01/1029291001.db2.gz BXHHYULTPLWLOJ-GFCCVEGCSA-N 2 0 306.812 3.831 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817948155 1029292104 /nfs/dbraw/zinc/29/21/04/1029292104.db2.gz FNIXOPZXCIWYOE-VQTJNVASSA-N 2 0 323.484 3.707 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817950254 1029295256 /nfs/dbraw/zinc/29/52/56/1029295256.db2.gz XEHJKJSXXFCKIM-AWEZNQCLSA-N 2 0 300.471 3.761 20 0 DHADRP c1ccc2c(c1)CC(C[NH2+]Cc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000570015271 1029299210 /nfs/dbraw/zinc/29/92/10/1029299210.db2.gz HLVXLUVUNKCCOI-UHFFFAOYSA-N 2 0 320.480 3.787 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817966766 1029303884 /nfs/dbraw/zinc/30/38/84/1029303884.db2.gz VFXOMFOMASFIMP-BONVTDFDSA-N 2 0 316.276 3.616 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000817971301 1029309908 /nfs/dbraw/zinc/30/99/08/1029309908.db2.gz CDLJUOOXGRFCCY-PBPGXSGUSA-N 2 0 318.505 3.528 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000817979631 1029318465 /nfs/dbraw/zinc/31/84/65/1029318465.db2.gz CCOKIPAPHOECKM-UKRRQHHQSA-N 2 0 310.869 3.840 20 0 DHADRP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570162256 1029322783 /nfs/dbraw/zinc/32/27/83/1029322783.db2.gz GQYRDQOUFLYYEM-KBXCAEBGSA-N 2 0 308.416 3.737 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@@H]2CCC[C@H]21 ZINC000570249895 1029339758 /nfs/dbraw/zinc/33/97/58/1029339758.db2.gz IHYLOGVUEBZCKY-AHLTXXRQSA-N 2 0 310.894 3.851 20 0 DHADRP c1cc(-c2ccccc2)sc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629509619 1029350778 /nfs/dbraw/zinc/35/07/78/1029350778.db2.gz FYTMMDFQOWVLAN-GVDBMIGSSA-N 2 0 312.482 3.893 20 0 DHADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000629529384 1029359610 /nfs/dbraw/zinc/35/96/10/1029359610.db2.gz BBSQUHMRIMAIHE-OAHLLOKOSA-N 2 0 319.276 3.516 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629548129 1029363644 /nfs/dbraw/zinc/36/36/44/1029363644.db2.gz MFUOVFVWJPMLEI-KBMXLJTQSA-N 2 0 303.837 3.668 20 0 DHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000629543419 1029366023 /nfs/dbraw/zinc/36/60/23/1029366023.db2.gz AXECBAOFFMTYJS-GOSISDBHSA-N 2 0 315.505 3.725 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551535 1029366423 /nfs/dbraw/zinc/36/64/23/1029366423.db2.gz UZHLKKMLLSFAPT-ZFWWWQNUSA-N 2 0 314.395 3.657 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000629556579 1029366777 /nfs/dbraw/zinc/36/67/77/1029366777.db2.gz SZPBABBDFDSWIF-KJGCVMFHSA-N 2 0 304.865 3.695 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000629556578 1029368720 /nfs/dbraw/zinc/36/87/20/1029368720.db2.gz SZPBABBDFDSWIF-GZOSKZMVSA-N 2 0 304.865 3.695 20 0 DHADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629562016 1029370546 /nfs/dbraw/zinc/37/05/46/1029370546.db2.gz MGRMLLPWLIRHBC-TUVASFSCSA-N 2 0 306.416 3.662 20 0 DHADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NCC[C@@H](C)[NH3+] ZINC001170895183 1029377248 /nfs/dbraw/zinc/37/72/48/1029377248.db2.gz PZNZOIBBAZHXKP-GFCCVEGCSA-N 2 0 317.399 3.696 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170909258 1029406585 /nfs/dbraw/zinc/40/65/85/1029406585.db2.gz SMAGGYJINPYZEQ-BZUAXINKSA-N 2 0 306.881 3.660 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629656208 1029409063 /nfs/dbraw/zinc/40/90/63/1029409063.db2.gz NAJXDKPRUJYGHO-HOTGVXAUSA-N 2 0 314.395 3.571 20 0 DHADRP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000629702937 1029429440 /nfs/dbraw/zinc/42/94/40/1029429440.db2.gz XGPDKGOPOCYTGH-MRXNPFEDSA-N 2 0 318.424 3.919 20 0 DHADRP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000629701284 1029430684 /nfs/dbraw/zinc/43/06/84/1029430684.db2.gz ALAUMZBZUMLJGY-INIZCTEOSA-N 2 0 318.424 3.919 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3s2)C1 ZINC000571007098 1029442479 /nfs/dbraw/zinc/44/24/79/1029442479.db2.gz XRSPBWOECBODSW-DOTOQJQBSA-N 2 0 300.471 3.817 20 0 DHADRP C[C@]1(F)CC[NH+](Cc2cccc(C[N@H+]3CC[C@](C)(F)C3)c2)C1 ZINC000347353490 1029523064 /nfs/dbraw/zinc/52/30/64/1029523064.db2.gz OPLJURLYKSXAJT-ROUUACIJSA-N 2 0 308.416 3.554 20 0 DHADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229642 1029557065 /nfs/dbraw/zinc/55/70/65/1029557065.db2.gz PKIGEPHMMHAZLW-MKCYZYCBSA-N 2 0 310.526 3.703 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCc2cscn2)CC1)CC(C)C ZINC000450650130 1029595401 /nfs/dbraw/zinc/59/54/01/1029595401.db2.gz NCUWTMVSMFANOP-UHFFFAOYSA-N 2 0 323.550 3.766 20 0 DHADRP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000450868829 1029714878 /nfs/dbraw/zinc/71/48/78/1029714878.db2.gz ABIGQELLUNPPOG-GDBMZVCRSA-N 2 0 309.523 3.640 20 0 DHADRP COc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812192 1029769471 /nfs/dbraw/zinc/76/94/71/1029769471.db2.gz FNXQLEVMHZZTQD-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820810835 1029769535 /nfs/dbraw/zinc/76/95/35/1029769535.db2.gz GAEGLENKEZOMHB-QWHCGFSZSA-N 2 0 301.434 3.765 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccco1 ZINC000820809961 1029770045 /nfs/dbraw/zinc/77/00/45/1029770045.db2.gz LVOKPLDVVDDVDN-LJQANCHMSA-N 2 0 312.457 3.803 20 0 DHADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1cccs1 ZINC000820813150 1029770774 /nfs/dbraw/zinc/77/07/74/1029770774.db2.gz ZLIXOEYCBYSFRE-ZBSSRIJBSA-N 2 0 304.503 3.674 20 0 DHADRP CSC(C)(C)CC[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000820874865 1029784207 /nfs/dbraw/zinc/78/42/07/1029784207.db2.gz NEDODLLEAORXLN-OAHLLOKOSA-N 2 0 321.534 3.728 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170955058 1029785884 /nfs/dbraw/zinc/78/58/84/1029785884.db2.gz DCGFWKIOZRCXDE-WBVHZDCISA-N 2 0 304.453 3.537 20 0 DHADRP Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000530216412 1029785982 /nfs/dbraw/zinc/78/59/82/1029785982.db2.gz BGNVKAGYPJAJIC-NHCUHLMSSA-N 2 0 323.484 3.562 20 0 DHADRP Fc1cccc2c1C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001170961600 1029825114 /nfs/dbraw/zinc/82/51/14/1029825114.db2.gz QEPACAPNCDPNAN-KRWDZBQOSA-N 2 0 304.453 3.539 20 0 DHADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170971442 1029872002 /nfs/dbraw/zinc/87/20/02/1029872002.db2.gz NUPOLELXIBKZDK-BZSNNMDCSA-N 2 0 318.480 3.911 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCc2cccc(F)c2C1)CC(C)(C)CC[NH3+] ZINC001170973957 1029908210 /nfs/dbraw/zinc/90/82/10/1029908210.db2.gz TZRFGXLQVPHHFT-ZBFHGGJFSA-N 2 0 306.469 3.674 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170976318 1029927528 /nfs/dbraw/zinc/92/75/28/1029927528.db2.gz YTJSLEFQHKQGLI-KBAYOESNSA-N 2 0 316.464 3.807 20 0 DHADRP Clc1ccc(OCCC[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000530711304 1029968824 /nfs/dbraw/zinc/96/88/24/1029968824.db2.gz NEPZJMTWUTVMFF-UHFFFAOYSA-N 2 0 319.836 3.643 20 0 DHADRP CCCn1nc(C)c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c1C ZINC000865717055 1029987282 /nfs/dbraw/zinc/98/72/82/1029987282.db2.gz MJXUBQKSWBKTNZ-UHFFFAOYSA-N 2 0 320.525 3.510 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCCS3)CC2)cc1 ZINC000865725209 1029992146 /nfs/dbraw/zinc/99/21/46/1029992146.db2.gz VHBRMOWKIMWFTB-IBGZPJMESA-N 2 0 318.530 3.569 20 0 DHADRP CC(C)([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000865744507 1030000941 /nfs/dbraw/zinc/00/09/41/1030000941.db2.gz YBENEJFABGFGQT-SFHVURJKSA-N 2 0 308.510 3.721 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000475672344 1030006609 /nfs/dbraw/zinc/00/66/09/1030006609.db2.gz SEINYFXRZDKMLX-UWIFEVILSA-N 2 0 306.881 3.906 20 0 DHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765193 1030014282 /nfs/dbraw/zinc/01/42/82/1030014282.db2.gz KPFYXVUCSNLVPI-UHFFFAOYSA-N 2 0 320.525 3.607 20 0 DHADRP COc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)ccc1SC ZINC000865765662 1030014451 /nfs/dbraw/zinc/01/44/51/1030014451.db2.gz FZHWVZUJLKXEDI-UHFFFAOYSA-N 2 0 322.518 3.770 20 0 DHADRP CCCC[C@@H]1C[C@H](NCC[NH+](CCCC)CCCC)CC[NH2+]1 ZINC001246192953 1030066617 /nfs/dbraw/zinc/06/66/17/1030066617.db2.gz KPCOTZHKGYMXJG-RTBURBONSA-N 2 0 311.558 3.789 20 0 DHADRP CCCC[C@H]1C[C@@H](NCC[NH+](CCCC)CCCC)CC[NH2+]1 ZINC001246192948 1030080992 /nfs/dbraw/zinc/08/09/92/1030080992.db2.gz KPCOTZHKGYMXJG-OALUTQOASA-N 2 0 311.558 3.789 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822798302 1030124718 /nfs/dbraw/zinc/12/47/18/1030124718.db2.gz SXVSAFXVCUJHCZ-AWEZNQCLSA-N 2 0 307.309 3.624 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccns1 ZINC000924581766 1030129286 /nfs/dbraw/zinc/12/92/86/1030129286.db2.gz GEBKFTKWDVENFN-AWEZNQCLSA-N 2 0 301.459 3.590 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000924583619 1030129610 /nfs/dbraw/zinc/12/96/10/1030129610.db2.gz BPGYNJWEHCDDMM-UXHICEINSA-N 2 0 318.505 3.679 20 0 DHADRP C[N@H+](CCCn1ccnc1)Cc1ccc(F)cc1C(F)(F)F ZINC000290630845 1030131869 /nfs/dbraw/zinc/13/18/69/1030131869.db2.gz XZEXLNLPQQPSEA-UHFFFAOYSA-N 2 0 315.314 3.563 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2C(C)C)cc1 ZINC000924587055 1030132201 /nfs/dbraw/zinc/13/22/01/1030132201.db2.gz ZBKOUUKFCGHSBL-PMACEKPBSA-N 2 0 318.505 3.679 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnn(C2CCC2)c1 ZINC000924680195 1030156805 /nfs/dbraw/zinc/15/68/05/1030156805.db2.gz BROWUSSZKUQBQY-QGZVFWFLSA-N 2 0 318.509 3.771 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924829905 1030199695 /nfs/dbraw/zinc/19/96/95/1030199695.db2.gz UZTOGCKQDFNMLT-AWEZNQCLSA-N 2 0 315.461 3.982 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC001246224373 1030202450 /nfs/dbraw/zinc/20/24/50/1030202450.db2.gz GEWYXPKBNGBEAC-LLVKDONJSA-N 2 0 306.759 3.591 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)cc2ccccc21 ZINC000924856740 1030211149 /nfs/dbraw/zinc/21/11/49/1030211149.db2.gz XTWVPISJTJZZOL-HNNXBMFYSA-N 2 0 300.446 3.841 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2CCCO)c1 ZINC000924959845 1030235045 /nfs/dbraw/zinc/23/50/45/1030235045.db2.gz POEWPQHMNZWCBF-VQTJNVASSA-N 2 0 318.505 3.559 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccnn1C1CCC1 ZINC000925051576 1030256061 /nfs/dbraw/zinc/25/60/61/1030256061.db2.gz YRJCELSWKNCKOK-QGZVFWFLSA-N 2 0 318.509 3.915 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccnn1C1CCC1 ZINC000925051575 1030256668 /nfs/dbraw/zinc/25/66/68/1030256668.db2.gz YRJCELSWKNCKOK-KRWDZBQOSA-N 2 0 318.509 3.915 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000358049346 1030301145 /nfs/dbraw/zinc/30/11/45/1030301145.db2.gz RELZGRLFYXYFCS-BJLQDIEVSA-N 2 0 318.505 3.925 20 0 DHADRP CC(C)(C)OC1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000866451811 1030301963 /nfs/dbraw/zinc/30/19/63/1030301963.db2.gz POEVWNPERVTZLI-UHFFFAOYSA-N 2 0 310.526 3.965 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171018585 1030302625 /nfs/dbraw/zinc/30/26/25/1030302625.db2.gz UJCAUCTXLRRMQE-MRXNPFEDSA-N 2 0 306.881 3.661 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000866468889 1030310142 /nfs/dbraw/zinc/31/01/42/1030310142.db2.gz IDLYNIOEFPMILP-CQSZACIVSA-N 2 0 309.885 3.896 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000866478433 1030312025 /nfs/dbraw/zinc/31/20/25/1030312025.db2.gz IDGQLSKDRCHYCG-YJBOKZPZSA-N 2 0 322.518 3.563 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000925233025 1030314762 /nfs/dbraw/zinc/31/47/62/1030314762.db2.gz OYVOUSQROXKIAM-AYHJJNSGSA-N 2 0 310.551 3.761 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](c2cccnc2)C(C)C)CC1 ZINC000925233668 1030314965 /nfs/dbraw/zinc/31/49/65/1030314965.db2.gz GUYWPBGVAJMTTG-HXUWFJFHSA-N 2 0 317.521 3.921 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCS1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866480138 1030315991 /nfs/dbraw/zinc/31/59/91/1030315991.db2.gz FNYAPGANZHWKAS-WDSOQIARSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC(C)(C)C[NH3+] ZINC001246252959 1030334270 /nfs/dbraw/zinc/33/42/70/1030334270.db2.gz YGDPDXALWWVONK-SNVBAGLBSA-N 2 0 304.812 3.514 20 0 DHADRP Clc1ccc(CCC[NH2+][C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC001246254039 1030335827 /nfs/dbraw/zinc/33/58/27/1030335827.db2.gz GIOZGGPLTXPJCB-CQSZACIVSA-N 2 0 301.261 3.658 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000866516508 1030341096 /nfs/dbraw/zinc/34/10/96/1030341096.db2.gz AUAVPDRCJFTQOI-LTCLLZNKSA-N 2 0 302.462 3.622 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516671 1030341531 /nfs/dbraw/zinc/34/15/31/1030341531.db2.gz RYPGRWDUFRVHEH-MDCZIUGASA-N 2 0 304.478 3.917 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171022581 1030345658 /nfs/dbraw/zinc/34/56/58/1030345658.db2.gz NSKPJDRIRDPZER-ARFHVFGLSA-N 2 0 306.881 3.660 20 0 DHADRP C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925395290 1030354118 /nfs/dbraw/zinc/35/41/18/1030354118.db2.gz UYWOOEVXTLAZJG-HRAATJIYSA-N 2 0 324.468 3.713 20 0 DHADRP Cc1cc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc[nH+]1 ZINC000358167644 1030355720 /nfs/dbraw/zinc/35/57/20/1030355720.db2.gz WZIBYVBGSXJQPA-INIZCTEOSA-N 2 0 309.457 3.656 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](c2ccccc2)c2cccnc2)C1 ZINC000925477285 1030373294 /nfs/dbraw/zinc/37/32/94/1030373294.db2.gz JAYSRRFZOWMUCK-GUDVDZBRSA-N 2 0 309.457 3.667 20 0 DHADRP CC1(C)[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925528439 1030386980 /nfs/dbraw/zinc/38/69/80/1030386980.db2.gz UCBJIHLGOINTBA-AABGKKOBSA-N 2 0 321.468 3.615 20 0 DHADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925542127 1030393049 /nfs/dbraw/zinc/39/30/49/1030393049.db2.gz NOGZZCZXXSNORI-ARILJUKYSA-N 2 0 318.427 3.721 20 0 DHADRP C/C(=C\C=C\N)[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C[C@H]1C ZINC001171032378 1030397313 /nfs/dbraw/zinc/39/73/13/1030397313.db2.gz UMMLVOIQVCBONG-XHTZCAPISA-N 2 0 319.537 3.911 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)cs1 ZINC000925564872 1030406660 /nfs/dbraw/zinc/40/66/60/1030406660.db2.gz MFENBCUARPDAES-QGZVFWFLSA-N 2 0 317.502 3.879 20 0 DHADRP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925564831 1030407310 /nfs/dbraw/zinc/40/73/10/1030407310.db2.gz VZNFFTJNPFVAGC-YJBOKZPZSA-N 2 0 302.462 3.501 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C12CCC2 ZINC000925571745 1030409366 /nfs/dbraw/zinc/40/93/66/1030409366.db2.gz NIHZLFFVBGXTSI-JKSUJKDBSA-N 2 0 319.518 3.593 20 0 DHADRP CC[C@H](C[C@H](C)O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000866634577 1030415509 /nfs/dbraw/zinc/41/55/09/1030415509.db2.gz SPXSYSIWDLTEKI-FVPXHTFXSA-N 2 0 318.505 3.569 20 0 DHADRP C[C@@H]1CC2(CC([NH2+]C3CCC([NH+]4CCC(C)CC4)CC3)C2)CO1 ZINC000925609239 1030418951 /nfs/dbraw/zinc/41/89/51/1030418951.db2.gz RDVFAHIATBXTKZ-PISSXIKFSA-N 2 0 320.521 3.577 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)C1 ZINC000925633312 1030426823 /nfs/dbraw/zinc/42/68/23/1030426823.db2.gz FDDZLFYXKPBBNM-ROUUACIJSA-N 2 0 316.489 3.622 20 0 DHADRP Cc1cc(C[NH+](C)C)cc(N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925635248 1030429895 /nfs/dbraw/zinc/42/98/95/1030429895.db2.gz SYUZDDVXLFLGLA-FQEVSTJZSA-N 2 0 311.473 3.949 20 0 DHADRP C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925646986 1030431996 /nfs/dbraw/zinc/43/19/96/1030431996.db2.gz XJIPLCMZNUSMOU-QRWLVFNGSA-N 2 0 309.457 3.945 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000925645873 1030432364 /nfs/dbraw/zinc/43/23/64/1030432364.db2.gz UHOHLHBTTRFSEL-ZWKOTPCHSA-N 2 0 314.404 3.719 20 0 DHADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925663749 1030445659 /nfs/dbraw/zinc/44/56/59/1030445659.db2.gz VRHLPDZVDANRJK-OTWHNJEPSA-N 2 0 318.505 3.520 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1ccnc2ccccc12)c1ccccc1 ZINC000925708798 1030461051 /nfs/dbraw/zinc/46/10/51/1030461051.db2.gz SDHJYXNHNUZHDA-FQEVSTJZSA-N 2 0 319.452 3.847 20 0 DHADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925738199 1030472006 /nfs/dbraw/zinc/47/20/06/1030472006.db2.gz WTJNCFWIDDAPGN-FXUDXRNXSA-N 2 0 300.437 3.712 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925736085 1030472474 /nfs/dbraw/zinc/47/24/74/1030472474.db2.gz YMYBJMGLHOKLJC-RFQIPJPRSA-N 2 0 304.400 3.627 20 0 DHADRP CC(C)c1ccc(C2(O)CCC([NH2+]CCC(C)(C)[NH3+])CC2)cc1 ZINC000925740294 1030474463 /nfs/dbraw/zinc/47/44/63/1030474463.db2.gz HYLJUDGLHOMFHS-UHFFFAOYSA-N 2 0 318.505 3.657 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])ccc1SC(F)F ZINC000925741263 1030474546 /nfs/dbraw/zinc/47/45/46/1030474546.db2.gz OEHCWMXEOPYUPO-JTQLQIEISA-N 2 0 318.433 3.788 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)c1 ZINC000558222560 1030474697 /nfs/dbraw/zinc/47/46/97/1030474697.db2.gz RAGLDUVPBCHWDV-QZTJIDSGSA-N 2 0 304.478 3.541 20 0 DHADRP Clc1ncccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121766865 1030476245 /nfs/dbraw/zinc/47/62/45/1030476245.db2.gz MHQPQEMUDXRFQD-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000558256199 1030499981 /nfs/dbraw/zinc/49/99/81/1030499981.db2.gz IJVTXSVAONYUCZ-ILOCAZANSA-N 2 0 320.427 3.530 20 0 DHADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCc4c(Cl)cccc4C3)C2)CC1 ZINC001171050897 1030503561 /nfs/dbraw/zinc/50/35/61/1030503561.db2.gz UBNKDMHPHPXIDY-INIZCTEOSA-N 2 0 318.892 3.615 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC1(c2ccccc2)CC1 ZINC000925804624 1030504142 /nfs/dbraw/zinc/50/41/42/1030504142.db2.gz KZQCHIOQWHGIFJ-HNNXBMFYSA-N 2 0 309.457 3.621 20 0 DHADRP c1ccc2ncc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000925830730 1030511505 /nfs/dbraw/zinc/51/15/05/1030511505.db2.gz GXILJWKLXMHNFP-HLAWJBBLSA-N 2 0 323.484 3.678 20 0 DHADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(-c2ccncc2)cc1 ZINC000925844277 1030519380 /nfs/dbraw/zinc/51/93/80/1030519380.db2.gz RZCJBYAQNSWJHQ-MAODMQOUSA-N 2 0 321.468 3.931 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000925881658 1030532513 /nfs/dbraw/zinc/53/25/13/1030532513.db2.gz DFMRXWIMPYPDGB-JNAXZKDPSA-N 2 0 321.424 3.634 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883025 1030534873 /nfs/dbraw/zinc/53/48/73/1030534873.db2.gz RKNBMSRCHDZRGC-TUAOUCFPSA-N 2 0 301.261 3.641 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000925887790 1030537384 /nfs/dbraw/zinc/53/73/84/1030537384.db2.gz MGXXECGNZOALTO-VDZJLULYSA-N 2 0 312.482 3.774 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000246872369 1030658223 /nfs/dbraw/zinc/65/82/23/1030658223.db2.gz CPJZEYGUAQNCEK-LNLFQRSKSA-N 2 0 304.478 3.617 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000246843964 1030658999 /nfs/dbraw/zinc/65/89/99/1030658999.db2.gz CGWOJGKHPVRMBS-OXJNMPFZSA-N 2 0 316.489 3.576 20 0 DHADRP CCOC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926224742 1030664404 /nfs/dbraw/zinc/66/44/04/1030664404.db2.gz PSGFBDFCYMWSJH-OHSMVPPVSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000246982743 1030665484 /nfs/dbraw/zinc/66/54/84/1030665484.db2.gz IYQMUDGABDPQKQ-SRABZTEZSA-N 2 0 302.462 3.607 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000247146887 1030679656 /nfs/dbraw/zinc/67/96/56/1030679656.db2.gz SQOGUWCSALNNOO-OWCLPIDISA-N 2 0 307.457 3.629 20 0 DHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(F)cc2cccnc21 ZINC000075860724 1030693518 /nfs/dbraw/zinc/69/35/18/1030693518.db2.gz ZBLVIOACFFRJKH-SFHVURJKSA-N 2 0 315.436 3.680 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926438325 1030740529 /nfs/dbraw/zinc/74/05/29/1030740529.db2.gz ARXAVFCWBQHFEE-MAUKXSAKSA-N 2 0 310.441 3.575 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1csc(C(F)(F)F)c1 ZINC000926451435 1030744006 /nfs/dbraw/zinc/74/40/06/1030744006.db2.gz ZZSYMTPOMVOWAB-WCBMZHEXSA-N 2 0 315.364 3.698 20 0 DHADRP CO[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926453742 1030745116 /nfs/dbraw/zinc/74/51/16/1030745116.db2.gz USAZTERRHZDGNE-SALMWKFDSA-N 2 0 316.489 3.585 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC000558725664 1030750087 /nfs/dbraw/zinc/75/00/87/1030750087.db2.gz VRIPVOGBBKOMBI-JCGIZDLHSA-N 2 0 324.896 3.832 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000248661792 1030758014 /nfs/dbraw/zinc/75/80/14/1030758014.db2.gz XQVNSCADYRMQOC-NNZMDNLPSA-N 2 0 316.514 3.667 20 0 DHADRP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncccc1Cl ZINC000926574098 1030803848 /nfs/dbraw/zinc/80/38/48/1030803848.db2.gz RZFMFLFZPLMHFM-GOEBONIOSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)CC(F)(F)F ZINC000926585412 1030811178 /nfs/dbraw/zinc/81/11/78/1030811178.db2.gz UYDKSLXOJDWIHT-OLZOCXBDSA-N 2 0 302.384 3.987 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000926605776 1030823035 /nfs/dbraw/zinc/82/30/35/1030823035.db2.gz XGBFQFDOXLUEQJ-SEEARECTSA-N 2 0 307.869 3.575 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000926607104 1030824023 /nfs/dbraw/zinc/82/40/23/1030824023.db2.gz RCWKVGOTUHYEIA-UHFFFAOYSA-N 2 0 304.503 3.772 20 0 DHADRP C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000926647550 1030838475 /nfs/dbraw/zinc/83/84/75/1030838475.db2.gz FCNSRUBYEIUNAP-YWZLYKJASA-N 2 0 316.489 3.604 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000926652837 1030844871 /nfs/dbraw/zinc/84/48/71/1030844871.db2.gz YQPBKEPHKDMBGU-HZPDHXFCSA-N 2 0 304.881 3.791 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171093500 1030871165 /nfs/dbraw/zinc/87/11/65/1030871165.db2.gz GQXCJUAZJZVMDG-GOSISDBHSA-N 2 0 306.881 3.660 20 0 DHADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccnc1 ZINC000359274591 1030876064 /nfs/dbraw/zinc/87/60/64/1030876064.db2.gz DTCOIZPRASQXSZ-HKUYNNGSSA-N 2 0 303.494 3.880 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001171094532 1030883712 /nfs/dbraw/zinc/88/37/12/1030883712.db2.gz LPULCEYVZWQNLY-GOSISDBHSA-N 2 0 306.881 3.663 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cccnc2)C(C)C)C1 ZINC000359332549 1030910266 /nfs/dbraw/zinc/91/02/66/1030910266.db2.gz OZGSSQMRFGDRQU-HKUYNNGSSA-N 2 0 303.494 3.736 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cccnc2)C(C)C)C1 ZINC000359332550 1030910358 /nfs/dbraw/zinc/91/03/58/1030910358.db2.gz OZGSSQMRFGDRQU-MJGOQNOKSA-N 2 0 303.494 3.736 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ncco1 ZINC000926791597 1030929469 /nfs/dbraw/zinc/92/94/69/1030929469.db2.gz RNXREJJRYBLKMM-INIZCTEOSA-N 2 0 313.445 3.628 20 0 DHADRP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000359373012 1030933105 /nfs/dbraw/zinc/93/31/05/1030933105.db2.gz STKNGGHTMGLOLE-HNNXBMFYSA-N 2 0 314.420 3.917 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926798816 1030934266 /nfs/dbraw/zinc/93/42/66/1030934266.db2.gz XVOHSLCPINUMOM-DZIBYMRMSA-N 3 0 317.521 3.662 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000161662193 1030934727 /nfs/dbraw/zinc/93/47/27/1030934727.db2.gz CNQPGLPIMXZDKF-FQEVSTJZSA-N 2 0 300.490 3.780 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000926799056 1030935300 /nfs/dbraw/zinc/93/53/00/1030935300.db2.gz ZZWMKHOGAYCQFI-MNQCNDSGSA-N 2 0 321.896 3.965 20 0 DHADRP Cc1c(F)cc(F)cc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001143769035 1030953007 /nfs/dbraw/zinc/95/30/07/1030953007.db2.gz FLFDIRSBYBKUSJ-UHFFFAOYSA-N 2 0 308.416 3.581 20 0 DHADRP Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925497674 1030959365 /nfs/dbraw/zinc/95/93/65/1030959365.db2.gz YCULDTGTQWLOOF-RHSMWYFYSA-N 2 0 318.486 3.502 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107981 1030977178 /nfs/dbraw/zinc/97/71/78/1030977178.db2.gz FLVWSPYXDJBWKA-IBGZPJMESA-N 2 0 320.908 3.909 20 0 DHADRP C[C@H](c1ccncc1)[NH+](C)C/C=C\C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000255178927 1030981684 /nfs/dbraw/zinc/98/16/84/1030981684.db2.gz ZABXXYYOGUMVLG-OSFIAYCASA-N 2 0 324.472 3.719 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926948263 1031010674 /nfs/dbraw/zinc/01/06/74/1031010674.db2.gz JUVUASMRELVNRW-TUKIKUTGSA-N 2 0 300.368 3.597 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000897536635 1031018624 /nfs/dbraw/zinc/01/86/24/1031018624.db2.gz NNEUYKRSBFOSMU-XEYPJELSSA-N 2 0 322.537 3.560 20 0 DHADRP Cc1nc2c(cccc2CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000926970906 1031021730 /nfs/dbraw/zinc/02/17/30/1031021730.db2.gz BVGXDBQQSVMZJJ-UHFFFAOYSA-N 2 0 315.461 3.531 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927033525 1031043617 /nfs/dbraw/zinc/04/36/17/1031043617.db2.gz SZVDSSCNBBVBDF-KCITZHQASA-N 2 0 318.530 3.771 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCS1 ZINC000927032446 1031043662 /nfs/dbraw/zinc/04/36/62/1031043662.db2.gz NJWVVAALGWTMQB-BURFUSLBSA-N 2 0 310.551 3.903 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(C)n1 ZINC000927036835 1031045591 /nfs/dbraw/zinc/04/55/91/1031045591.db2.gz GWKJXVNPSKUOIV-MUYFXNHWSA-N 2 0 301.478 3.756 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccnc(Cl)c1 ZINC000927038982 1031046210 /nfs/dbraw/zinc/04/62/10/1031046210.db2.gz QXJCVGVFZMIDMB-BZOOQXSSSA-N 2 0 307.869 3.793 20 0 DHADRP CC(C)[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)cn1 ZINC000927037247 1031047267 /nfs/dbraw/zinc/04/72/67/1031047267.db2.gz INXNQWWVOIAUOK-AVAKVYKDSA-N 2 0 319.468 3.914 20 0 DHADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000359622947 1031068105 /nfs/dbraw/zinc/06/81/05/1031068105.db2.gz UCKBDJKVQXFRKN-KRWDZBQOSA-N 2 0 324.468 3.890 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000927126078 1031108365 /nfs/dbraw/zinc/10/83/65/1031108365.db2.gz VCHCKVAOBJFYGX-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000123478632 1031135688 /nfs/dbraw/zinc/13/56/88/1031135688.db2.gz AIGBYNDIGLYFIB-ZWKOTPCHSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000359869005 1031172351 /nfs/dbraw/zinc/17/23/51/1031172351.db2.gz FHAAVBWPBUIAFI-INIZCTEOSA-N 2 0 319.408 3.655 20 0 DHADRP CC[C@@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000359941535 1031206803 /nfs/dbraw/zinc/20/68/03/1031206803.db2.gz KOUMYTHTRSRNRO-LPHOPBHVSA-N 2 0 304.478 3.576 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000359945876 1031210611 /nfs/dbraw/zinc/21/06/11/1031210611.db2.gz XZLCLPUJZSJHFS-YESZJQIVSA-N 2 0 304.478 3.574 20 0 DHADRP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCCCO1 ZINC000347401817 1031222898 /nfs/dbraw/zinc/22/28/98/1031222898.db2.gz SGWATBOOYXILFJ-RTBURBONSA-N 2 0 308.510 3.534 20 0 DHADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccncc1 ZINC000360336208 1031383393 /nfs/dbraw/zinc/38/33/93/1031383393.db2.gz JJDBNYRVMDHETO-WIYYLYMNSA-N 2 0 323.484 3.514 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000844926431 1031403762 /nfs/dbraw/zinc/40/37/62/1031403762.db2.gz UIECQUATATWCGW-KRWDZBQOSA-N 2 0 316.445 3.872 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000872023329 1031405632 /nfs/dbraw/zinc/40/56/32/1031405632.db2.gz QZTSZUWLJLAVKM-PMACEKPBSA-N 2 0 318.505 3.822 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293304322 1031417686 /nfs/dbraw/zinc/41/76/86/1031417686.db2.gz HYJAXHGSGIPUAP-VQIMIIECSA-N 2 0 322.468 3.613 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000379635973 1031417753 /nfs/dbraw/zinc/41/77/53/1031417753.db2.gz WOVMNMDDMTXCGG-MTFMMBMASA-N 2 0 316.489 3.587 20 0 DHADRP CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000360430056 1031424579 /nfs/dbraw/zinc/42/45/79/1031424579.db2.gz VTDOBSSJKHMIEE-VQIMIIECSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536849177 1031456353 /nfs/dbraw/zinc/45/63/53/1031456353.db2.gz APTQHUDDCUQGRE-VKJFTORMSA-N 2 0 324.896 3.817 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000536875783 1031463771 /nfs/dbraw/zinc/46/37/71/1031463771.db2.gz KMSAWQTURNLAEW-QWHCGFSZSA-N 2 0 312.860 3.829 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000536908141 1031475319 /nfs/dbraw/zinc/47/53/19/1031475319.db2.gz FOXQKOHVGMQPJH-QGPMSJSTSA-N 2 0 324.896 3.817 20 0 DHADRP CO[C@@H]1CCC[C@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000537025912 1031488880 /nfs/dbraw/zinc/48/88/80/1031488880.db2.gz NHACWULBCFXOFN-RBUKOAKNSA-N 2 0 318.505 3.549 20 0 DHADRP COCC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000872104998 1031496033 /nfs/dbraw/zinc/49/60/33/1031496033.db2.gz XACJGPFLFDDGIT-PKOBYXMFSA-N 2 0 318.505 3.549 20 0 DHADRP FC(F)(F)c1coc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000872143082 1031532438 /nfs/dbraw/zinc/53/24/38/1031532438.db2.gz LHRZBRAEVADJCX-CHWSQXEVSA-N 2 0 316.367 3.510 20 0 DHADRP Cc1ccncc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157186 1031537413 /nfs/dbraw/zinc/53/74/13/1031537413.db2.gz NIVCYWNOGKVDPL-LPHOPBHVSA-N 2 0 301.478 3.510 20 0 DHADRP Cc1ncc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156143 1031537524 /nfs/dbraw/zinc/53/75/24/1031537524.db2.gz FHXULDXTXNZVSW-PBHICJAKSA-N 2 0 307.507 3.571 20 0 DHADRP Cc1csc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872155895 1031538071 /nfs/dbraw/zinc/53/80/71/1031538071.db2.gz AGXCDMWLYOIKDA-GOEBONIOSA-N 2 0 307.507 3.571 20 0 DHADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1)C1CCCC1 ZINC000872158627 1031540720 /nfs/dbraw/zinc/54/07/20/1031540720.db2.gz WKIWJFWSVTYXTL-KSSFIOAISA-N 2 0 317.477 3.672 20 0 DHADRP Cc1ncccc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157244 1031541905 /nfs/dbraw/zinc/54/19/05/1031541905.db2.gz NUBMGVBYJOBZRK-VQIMIIECSA-N 2 0 301.478 3.510 20 0 DHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000537382445 1031586516 /nfs/dbraw/zinc/58/65/16/1031586516.db2.gz AKZBJQANWYRKLN-UHFFFAOYSA-N 2 0 314.404 3.746 20 0 DHADRP COCCN(C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000360944599 1031636385 /nfs/dbraw/zinc/63/63/85/1031636385.db2.gz NZZSILQHCXJBID-RLLQIKCJSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@H](CCc1ccsc1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360956689 1031643736 /nfs/dbraw/zinc/64/37/36/1031643736.db2.gz VYZWBJVEXZPSCV-ZACQAIPSSA-N 2 0 324.534 3.548 20 0 DHADRP COc1ccc(F)cc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000360984016 1031656740 /nfs/dbraw/zinc/65/67/40/1031656740.db2.gz PNDAPIVDLOOUAN-HNNXBMFYSA-N 2 0 308.441 3.579 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000361061655 1031703369 /nfs/dbraw/zinc/70/33/69/1031703369.db2.gz UJXRENRPKLOBDL-OXQOHEQNSA-N 2 0 316.489 3.783 20 0 DHADRP Fc1cccc([C@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)c1 ZINC000873205957 1031756903 /nfs/dbraw/zinc/75/69/03/1031756903.db2.gz XTNSRKXUPJLGCF-AWEZNQCLSA-N 2 0 316.445 3.522 20 0 DHADRP CC[N@H+](CCc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203025 1031757794 /nfs/dbraw/zinc/75/77/94/1031757794.db2.gz MPJOPHRNWXPSET-UHFFFAOYSA-N 2 0 306.500 3.520 20 0 DHADRP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210323 1031759374 /nfs/dbraw/zinc/75/93/74/1031759374.db2.gz BYTHIOKGPDFNJS-ZWNOBZJWSA-N 2 0 318.408 3.557 20 0 DHADRP C[N@H+](Cc1cc2ccccc2o1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208430 1031759622 /nfs/dbraw/zinc/75/96/22/1031759622.db2.gz WBVPABGPTRRRJR-UHFFFAOYSA-N 2 0 312.438 3.772 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000873219897 1031764381 /nfs/dbraw/zinc/76/43/81/1031764381.db2.gz GZJZOIPGFAMJEU-SECBINFHSA-N 2 0 305.224 3.610 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc2cccnc12 ZINC000873223977 1031765365 /nfs/dbraw/zinc/76/53/65/1031765365.db2.gz VVUAADZQKLQOKU-HXUWFJFHSA-N 2 0 311.473 3.740 20 0 DHADRP c1ccc2ncc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)cc2c1 ZINC000873232145 1031767328 /nfs/dbraw/zinc/76/73/28/1031767328.db2.gz ABYHKRLFKNGQQO-LJQANCHMSA-N 2 0 309.457 3.637 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000873256424 1031777129 /nfs/dbraw/zinc/77/71/29/1031777129.db2.gz MMBPXYNLAJZRAK-MZGVZZPPSA-N 2 0 312.379 3.668 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1OCCC ZINC000873257405 1031777197 /nfs/dbraw/zinc/77/71/97/1031777197.db2.gz USGRYRUXVWXBFP-INMHGKMJSA-N 2 0 320.477 3.652 20 0 DHADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873257304 1031777252 /nfs/dbraw/zinc/77/72/52/1031777252.db2.gz GMPBVFPOIFCELK-MBOZVWFJSA-N 2 0 324.468 3.962 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000873258624 1031777710 /nfs/dbraw/zinc/77/77/10/1031777710.db2.gz SNHSHLZPDFFRAN-CDHAZOANSA-N 2 0 318.823 3.895 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259703 1031778999 /nfs/dbraw/zinc/77/89/99/1031778999.db2.gz JXZBEMCFBBLVCV-XYVMCAHJSA-N 2 0 302.462 3.655 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260742 1031779211 /nfs/dbraw/zinc/77/92/11/1031779211.db2.gz GWCSYCWMOLOXQS-FKSLSLAPSA-N 2 0 313.489 3.536 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264731 1031779308 /nfs/dbraw/zinc/77/93/08/1031779308.db2.gz QRBGEIQNZVKSFO-GUSZCTEKSA-N 2 0 320.864 3.674 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000873265220 1031779363 /nfs/dbraw/zinc/77/93/63/1031779363.db2.gz LFXLXDRAZSRYNE-MLGOLLRUSA-N 2 0 312.404 3.717 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260287 1031779657 /nfs/dbraw/zinc/77/96/57/1031779657.db2.gz XJOIBGSWMUNSEV-REBRKWNGSA-N 2 0 307.507 3.756 20 0 DHADRP c1c2cnccc2oc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000845935520 1031780687 /nfs/dbraw/zinc/78/06/87/1031780687.db2.gz REWHXTNLBFOZCD-UHFFFAOYSA-N 2 0 315.461 3.964 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000873270343 1031780974 /nfs/dbraw/zinc/78/09/74/1031780974.db2.gz RFCOWPVDQUQTIG-NEPJUHHUSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)C1CC[NH2+]CC1 ZINC000873267895 1031781327 /nfs/dbraw/zinc/78/13/27/1031781327.db2.gz LTSLWRLERAIJFB-IAQYHMDHSA-N 2 0 310.894 3.855 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000873268209 1031781646 /nfs/dbraw/zinc/78/16/46/1031781646.db2.gz ABZSOYLOFIHMMF-UVLXDEKHSA-N 2 0 312.910 3.871 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000873269953 1031782893 /nfs/dbraw/zinc/78/28/93/1031782893.db2.gz NCSGRMIWXXGGPM-VHSXEESVSA-N 2 0 317.296 3.549 20 0 DHADRP C1=C[C@H](CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000873281216 1031787881 /nfs/dbraw/zinc/78/78/81/1031787881.db2.gz HCUDCCDMJJVMIC-HQRMLTQVSA-N 2 0 312.457 3.578 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000873290231 1031790945 /nfs/dbraw/zinc/79/09/45/1031790945.db2.gz BSMUIIZCHIHCPZ-OALUTQOASA-N 2 0 316.489 3.522 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000873291850 1031793592 /nfs/dbraw/zinc/79/35/92/1031793592.db2.gz YMUWEXHPNSWIAR-IAGOWNOFSA-N 2 0 322.880 3.539 20 0 DHADRP C[NH+]1CCC(C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC001144716956 1031869484 /nfs/dbraw/zinc/86/94/84/1031869484.db2.gz RKBYUGTWTJPENA-UHFFFAOYSA-N 2 0 311.473 3.722 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000897971549 1031884451 /nfs/dbraw/zinc/88/44/51/1031884451.db2.gz ZMPSSYAJSKPDGN-MBOZVWFJSA-N 2 0 315.505 3.645 20 0 DHADRP CC(C)O[C@@H](CN1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000897982540 1031911573 /nfs/dbraw/zinc/91/15/73/1031911573.db2.gz NGUZLMPLBMUINO-FQEVSTJZSA-N 2 0 316.489 3.759 20 0 DHADRP [NH3+]CCCCCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000846224062 1031933493 /nfs/dbraw/zinc/93/34/93/1031933493.db2.gz RRZRNFFLDFAIMC-GOSISDBHSA-N 2 0 317.864 3.933 20 0 DHADRP CC[N@H+](CCCCCC[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000846221210 1031934022 /nfs/dbraw/zinc/93/40/22/1031934022.db2.gz INHBMCKESKFTSX-ICSRJNTNSA-N 2 0 317.521 3.663 20 0 DHADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCCCCC[NH3+])C3)nc2c1 ZINC000846220341 1031934065 /nfs/dbraw/zinc/93/40/65/1031934065.db2.gz GLTXRXMCKNTDJS-MRXNPFEDSA-N 2 0 314.477 3.570 20 0 DHADRP Cc1cccc(C[N@H+](CCCCCC[NH3+])Cc2ccccn2)c1 ZINC000846219880 1031934757 /nfs/dbraw/zinc/93/47/57/1031934757.db2.gz ARGNWAQULULUEE-UHFFFAOYSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@H](COc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000772951624 1032044516 /nfs/dbraw/zinc/04/45/16/1032044516.db2.gz USCLWGIMJZKMQE-QGZVFWFLSA-N 2 0 316.489 3.841 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C[C@](C)(C[NH3+])C1 ZINC001172647982 1033301987 /nfs/dbraw/zinc/30/19/87/1033301987.db2.gz QFOZQNXTHPZQGK-KUHUBIRLSA-N 2 0 310.526 3.856 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719807 1033326243 /nfs/dbraw/zinc/32/62/43/1033326243.db2.gz QQBSBRWYMISCLF-IBGZPJMESA-N 2 0 320.908 3.859 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877524970 1033337783 /nfs/dbraw/zinc/33/77/83/1033337783.db2.gz MHVYXARWWBRRPD-LBPRGKRZSA-N 2 0 323.893 3.770 20 0 DHADRP Brc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522344 1033338510 /nfs/dbraw/zinc/33/85/10/1033338510.db2.gz LWUCEOUBXOGUHO-ZBFHGGJFSA-N 2 0 323.278 3.558 20 0 DHADRP Fc1ccccc1C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000643521991 1033344325 /nfs/dbraw/zinc/34/43/25/1033344325.db2.gz GEIJRZFHJLCVHB-AZUAARDMSA-N 2 0 312.432 3.841 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1Cl ZINC000643521964 1033344491 /nfs/dbraw/zinc/34/44/91/1033344491.db2.gz FXZTTZZNQAYEKB-HOTGVXAUSA-N 2 0 324.896 3.928 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172712524 1033347935 /nfs/dbraw/zinc/34/79/35/1033347935.db2.gz MWXZBVFIVVXPCQ-GOSISDBHSA-N 2 0 306.881 3.517 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523264 1033349714 /nfs/dbraw/zinc/34/97/14/1033349714.db2.gz YTXQRJCQCAMICH-HOTGVXAUSA-N 2 0 313.489 3.956 20 0 DHADRP Clc1nccc2oc(C[NH2+]CCCCC[NH+]3CCCC3)cc21 ZINC000877552765 1033351609 /nfs/dbraw/zinc/35/16/09/1033351609.db2.gz WTJNUZMWNRZWGK-UHFFFAOYSA-N 2 0 321.852 3.837 20 0 DHADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC[PH+](C(C)C)C(C)C)CC1 ZINC001172784954 1033370098 /nfs/dbraw/zinc/37/00/98/1033370098.db2.gz YDEJFWHLRHKENF-JKSUJKDBSA-N 2 0 315.438 3.997 20 0 DHADRP CC(C)C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccccn1 ZINC000477920977 1033374803 /nfs/dbraw/zinc/37/48/03/1033374803.db2.gz HBOJKSFJRGCPAZ-SFHVURJKSA-N 2 0 303.494 3.880 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCSC3(CCC3)C2)CC1 ZINC000927035160 1033394510 /nfs/dbraw/zinc/39/45/10/1033394510.db2.gz FWTOZMRMYOFVGZ-QGZVFWFLSA-N 2 0 310.551 3.905 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)CC2 ZINC001172832134 1033395300 /nfs/dbraw/zinc/39/53/00/1033395300.db2.gz QSIWPULTNQXZIL-FQEVSTJZSA-N 2 0 314.517 3.952 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC001172839930 1033409943 /nfs/dbraw/zinc/40/99/43/1033409943.db2.gz YBGPXVLKCZWQRN-NRFANRHFSA-N 2 0 312.501 3.803 20 0 DHADRP CC(C)Cc1ncc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000877683909 1033410535 /nfs/dbraw/zinc/41/05/35/1033410535.db2.gz ASNIJZLUCQIMKP-UHFFFAOYSA-N 2 0 321.534 3.649 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(C[NH+](C)C)cc1)CC2 ZINC001172840684 1033410712 /nfs/dbraw/zinc/41/07/12/1033410712.db2.gz CPAUUNAIPOHHLT-QFIPXVFZSA-N 2 0 322.496 3.746 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001172843280 1033412037 /nfs/dbraw/zinc/41/20/37/1033412037.db2.gz RLQKVGGTIGJIOF-HXUWFJFHSA-N 2 0 300.490 3.708 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001172863382 1033432286 /nfs/dbraw/zinc/43/22/86/1033432286.db2.gz NDLHFKQZSVVOPV-KSYCFECVSA-N 2 0 310.844 3.625 20 0 DHADRP CC[C@@H]1C[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795121 1033454741 /nfs/dbraw/zinc/45/47/41/1033454741.db2.gz ZZNUOVCCNYYOPP-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535451 1033466016 /nfs/dbraw/zinc/46/60/16/1033466016.db2.gz MOBKZHUXICSEQV-ZBFHGGJFSA-N 2 0 324.921 3.942 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535448 1033469183 /nfs/dbraw/zinc/46/91/83/1033469183.db2.gz MOBKZHUXICSEQV-GDBMZVCRSA-N 2 0 324.921 3.942 20 0 DHADRP COc1ccccc1[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CCCC1 ZINC000643534859 1033469963 /nfs/dbraw/zinc/46/99/63/1033469963.db2.gz DTJNRSNVIQARFL-MOPGFXCFSA-N 2 0 314.473 3.658 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535771 1033472081 /nfs/dbraw/zinc/47/20/81/1033472081.db2.gz IYPSBYQQZSMQQY-QAPCUYQASA-N 2 0 302.462 3.658 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001172930278 1033474704 /nfs/dbraw/zinc/47/47/04/1033474704.db2.gz RKANRDNHLQFCCS-SJORKVTESA-N 2 0 322.880 3.547 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2C(C)C)c1 ZINC000924707596 1033500775 /nfs/dbraw/zinc/50/07/75/1033500775.db2.gz NAVJYCGVGLZBRI-PMACEKPBSA-N 2 0 318.505 3.679 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC001173103040 1033539255 /nfs/dbraw/zinc/53/92/55/1033539255.db2.gz GBWYCCRDKAMYGW-RJYAGPCLSA-N 2 0 301.478 3.702 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCOc2ccccc2C)CC1 ZINC001173102119 1033541027 /nfs/dbraw/zinc/54/10/27/1033541027.db2.gz SJUQMOPGQDJBLL-UHFFFAOYSA-N 2 0 304.478 3.616 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(COC)cc2)CC1 ZINC001173106796 1033542902 /nfs/dbraw/zinc/54/29/02/1033542902.db2.gz FSUOFBWVSFEDQL-UHFFFAOYSA-N 2 0 304.478 3.576 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC001173104497 1033543255 /nfs/dbraw/zinc/54/32/55/1033543255.db2.gz QRVQRECFPGDWNS-CTWPCTMYSA-N 2 0 301.478 3.775 20 0 DHADRP CCOc1ccc(CC[NH2+]C2CCC([NH+](CC)CC)CC2)cc1 ZINC001173106011 1033543551 /nfs/dbraw/zinc/54/35/51/1033543551.db2.gz ZEXUYOWUXPLWIF-UHFFFAOYSA-N 2 0 318.505 3.870 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC001173105710 1033543662 /nfs/dbraw/zinc/54/36/62/1033543662.db2.gz BKHOTVKYFXKLCB-ODIFPOPNSA-N 2 0 318.461 3.719 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001173108061 1033544666 /nfs/dbraw/zinc/54/46/66/1033544666.db2.gz CZHWEUGVNNQDLE-UHFFFAOYSA-N 3 0 321.553 3.590 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCc2c(F)cccc2F)CC1 ZINC001173107277 1033545004 /nfs/dbraw/zinc/54/50/04/1033545004.db2.gz MVMDXTDLFIZCOW-UHFFFAOYSA-N 2 0 310.432 3.750 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2noc3ccccc32)CC1 ZINC001173107320 1033545701 /nfs/dbraw/zinc/54/57/01/1033545701.db2.gz OSQQKDAACDSQHC-UHFFFAOYSA-N 2 0 301.434 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(c3ccc(N)cc3)CC2)CC1 ZINC001173108454 1033546133 /nfs/dbraw/zinc/54/61/33/1033546133.db2.gz LCCBUAGKNLFPIM-UHFFFAOYSA-N 2 0 301.478 3.501 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(F)cnc2Cl)CC1 ZINC001173107574 1033546269 /nfs/dbraw/zinc/54/62/69/1033546269.db2.gz XHDUXLHLNBGBDH-UHFFFAOYSA-N 2 0 313.848 3.617 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCc3ccccc3CC2)CC1 ZINC001173111783 1033548433 /nfs/dbraw/zinc/54/84/33/1033548433.db2.gz LQOBBUBGFPRWDM-UHFFFAOYSA-N 2 0 300.490 3.740 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCc2ccc(OC)cc2)CC1 ZINC001173112773 1033548628 /nfs/dbraw/zinc/54/86/28/1033548628.db2.gz BDSBCXILWONELZ-UHFFFAOYSA-N 2 0 318.505 3.823 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001173114381 1033549364 /nfs/dbraw/zinc/54/93/64/1033549364.db2.gz IMQMETHBHCJDFG-UHFFFAOYSA-N 2 0 304.453 3.837 20 0 DHADRP C([C@@H]1C[C@@H]2CCC[C@@H]2O1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878050341 1033567293 /nfs/dbraw/zinc/56/72/93/1033567293.db2.gz UEFQZICBPZQTOV-MUGJNUQGSA-N 2 0 320.521 3.532 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878108222 1033582330 /nfs/dbraw/zinc/58/23/30/1033582330.db2.gz SPDAQJPCGBFXLT-SLHNCBLASA-N 2 0 320.521 3.530 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198967 1033589327 /nfs/dbraw/zinc/58/93/27/1033589327.db2.gz NFFWYLAJNXKXKG-AGYKMIKPSA-N 2 0 316.489 3.839 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198629 1033589506 /nfs/dbraw/zinc/58/95/06/1033589506.db2.gz XOYHBIYOGYDNSI-ZJRDLVKKSA-N 2 0 316.489 3.698 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878159428 1033600767 /nfs/dbraw/zinc/60/07/67/1033600767.db2.gz LRXQSUWBYDUNEW-DFQSSKMNSA-N 2 0 316.489 3.570 20 0 DHADRP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C1 ZINC001173269433 1033637492 /nfs/dbraw/zinc/63/74/92/1033637492.db2.gz IMKQNLXBRFDLHY-RDJZCZTQSA-N 2 0 304.453 3.740 20 0 DHADRP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(OC)c3)CC2)C1 ZINC001173269011 1033638251 /nfs/dbraw/zinc/63/82/51/1033638251.db2.gz FNYVPCWRWWIQBD-WMZOPIPTSA-N 2 0 316.489 3.610 20 0 DHADRP CC[C@@H]1CC[C@@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173270000 1033641249 /nfs/dbraw/zinc/64/12/49/1033641249.db2.gz MBUQPPKCOGTDLR-NXWXRZEISA-N 2 0 301.478 3.732 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553331571 1033663197 /nfs/dbraw/zinc/66/31/97/1033663197.db2.gz MPVCGVAYZACUQX-IRXDYDNUSA-N 2 0 309.457 3.915 20 0 DHADRP CCSC[C@@H](C)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001173312213 1033665548 /nfs/dbraw/zinc/66/55/48/1033665548.db2.gz ROKJHAOJHIZWKH-QGZVFWFLSA-N 2 0 320.546 3.972 20 0 DHADRP CCSC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001173291407 1033683162 /nfs/dbraw/zinc/68/31/62/1033683162.db2.gz NBPQYVRNCLQHHD-MRXNPFEDSA-N 2 0 306.519 3.630 20 0 DHADRP CCCC[C@H]([NH3+])Cc1cn([C@H]2CC[N@H+](CC)C2)c2ccccc12 ZINC001173352944 1033709434 /nfs/dbraw/zinc/70/94/34/1033709434.db2.gz GXEZUHXOMFSHBC-ROUUACIJSA-N 2 0 313.489 3.968 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001173544010 1033763318 /nfs/dbraw/zinc/76/33/18/1033763318.db2.gz PUTGQNGYDAXDJM-JSGCOSHPSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC000669706142 1033791981 /nfs/dbraw/zinc/79/19/81/1033791981.db2.gz DZPNPLFUJMYTHA-CQSZACIVSA-N 2 0 317.452 3.560 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000479532543 1033806791 /nfs/dbraw/zinc/80/67/91/1033806791.db2.gz QBZRGRRIHNWRNG-BRWVUGGUSA-N 2 0 304.478 3.714 20 0 DHADRP Cc1c(F)nccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000862275201 1033807437 /nfs/dbraw/zinc/80/74/37/1033807437.db2.gz NRRREQOTRWLZCV-UHFFFAOYSA-N 2 0 315.436 3.659 20 0 DHADRP Cc1c(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)ccnc1F ZINC000862289086 1033812741 /nfs/dbraw/zinc/81/27/41/1033812741.db2.gz LZVMUQVPOSDFPO-UHFFFAOYSA-N 2 0 319.468 3.662 20 0 DHADRP C[C@H](CN1CCCC1)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687332 1033829678 /nfs/dbraw/zinc/82/96/78/1033829678.db2.gz KUFJTGGXHIWMOD-FQVISZRSSA-N 2 0 312.501 3.887 20 0 DHADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173688156 1033833163 /nfs/dbraw/zinc/83/31/63/1033833163.db2.gz XPKOXXTYNSXMNU-JSOIOWGOSA-N 2 0 312.501 3.887 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)CCO1 ZINC000479595499 1033835667 /nfs/dbraw/zinc/83/56/67/1033835667.db2.gz VDONHDNDTYUDJV-QZTJIDSGSA-N 2 0 310.526 3.826 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](C3CCC4(CCc5ccccc54)CC3)C2)C1 ZINC001173691188 1033836767 /nfs/dbraw/zinc/83/67/67/1033836767.db2.gz IGIQNRHBFHCMSS-IRQNMHNUSA-N 2 0 324.512 3.841 20 0 DHADRP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247288 1033964655 /nfs/dbraw/zinc/96/46/55/1033964655.db2.gz AFMBUMVBOXJUQD-OAHLLOKOSA-N 2 0 319.493 3.841 20 0 DHADRP COc1cc2c(N[C@@H](C)C(C)(C)C[NH+](C)C)cc[nH+]c2cc1F ZINC000480023530 1034010900 /nfs/dbraw/zinc/01/09/00/1034010900.db2.gz ZIOWBRGEQUEZIO-LBPRGKRZSA-N 2 0 319.424 3.771 20 0 DHADRP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000667628362 1034097318 /nfs/dbraw/zinc/09/73/18/1034097318.db2.gz CBIWVFSYKAVONU-INIZCTEOSA-N 2 0 315.486 3.502 20 0 DHADRP C[C@H]([NH2+]CCC1(F)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554372878 1034121323 /nfs/dbraw/zinc/12/13/23/1034121323.db2.gz AYNKWKRWYZCHFE-FUHWJXTLSA-N 2 0 304.453 3.769 20 0 DHADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000863542348 1034123341 /nfs/dbraw/zinc/12/33/41/1034123341.db2.gz QBHZXICSVFMXMT-TVQRCGJNSA-N 2 0 314.260 3.511 20 0 DHADRP CC(C)(Cc1ccccc1F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168362662 1034145655 /nfs/dbraw/zinc/14/56/55/1034145655.db2.gz ARERLLNQLUHGAX-UHFFFAOYSA-N 2 0 304.453 3.611 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000178184459 1034216743 /nfs/dbraw/zinc/21/67/43/1034216743.db2.gz XWPPCLMOFDMFHQ-QWFCFKBJSA-N 2 0 318.505 3.517 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178256353 1034223117 /nfs/dbraw/zinc/22/31/17/1034223117.db2.gz IBHCYQFYAQASSX-HOTGVXAUSA-N 2 0 316.489 3.651 20 0 DHADRP Cc1ccc(C[C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000554585447 1034229505 /nfs/dbraw/zinc/22/95/05/1034229505.db2.gz UABJSOSHVUCTMU-UXHICEINSA-N 2 0 300.490 3.734 20 0 DHADRP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168363050 1034266492 /nfs/dbraw/zinc/26/64/92/1034266492.db2.gz RSPIGPGWECPYCC-LJQANCHMSA-N 2 0 318.892 3.661 20 0 DHADRP CCC1([NH+]2CCCCC2)CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000880257393 1034266561 /nfs/dbraw/zinc/26/65/61/1034266561.db2.gz XLYLUMJZKGIONV-IBGZPJMESA-N 2 0 321.553 3.591 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000179106003 1034281232 /nfs/dbraw/zinc/28/12/32/1034281232.db2.gz NQSAUIYPRHJNKO-CABCVRRESA-N 2 0 309.885 3.898 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(Cl)nc1 ZINC000179106135 1034281933 /nfs/dbraw/zinc/28/19/33/1034281933.db2.gz UZVQNIDKNFEEJE-OAHLLOKOSA-N 2 0 309.885 3.898 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000480607255 1034349789 /nfs/dbraw/zinc/34/97/89/1034349789.db2.gz FBTRVSXKEHLTRV-OXJNMPFZSA-N 2 0 316.489 3.784 20 0 DHADRP COC1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000183141813 1034354702 /nfs/dbraw/zinc/35/47/02/1034354702.db2.gz IYZKTSBRYZUSDX-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000480637401 1034368494 /nfs/dbraw/zinc/36/84/94/1034368494.db2.gz FIRUPJUVRQTXHG-QGZVFWFLSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000554861811 1034372923 /nfs/dbraw/zinc/37/29/23/1034372923.db2.gz SCMOWONOLLDJSX-KBPBESRZSA-N 2 0 314.395 3.740 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000480692524 1034397169 /nfs/dbraw/zinc/39/71/69/1034397169.db2.gz AWHJVGXVKIDZMY-KSSFIOAISA-N 2 0 310.432 3.607 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168363328 1034430504 /nfs/dbraw/zinc/43/05/04/1034430504.db2.gz XVNSTRNVWKYTLT-LJQANCHMSA-N 2 0 318.892 3.661 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000481036769 1034565486 /nfs/dbraw/zinc/56/54/86/1034565486.db2.gz LHGYBANKGQTITJ-ICSRJNTNSA-N 2 0 300.490 3.638 20 0 DHADRP C[C@@]1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCCS1 ZINC000120455180 1034565972 /nfs/dbraw/zinc/56/59/72/1034565972.db2.gz WLACHIQVZOQCIJ-SFHVURJKSA-N 2 0 310.551 3.906 20 0 DHADRP Cc1cccc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000481078287 1034576152 /nfs/dbraw/zinc/57/61/52/1034576152.db2.gz QXSHOAMHDVSHHH-FQEVSTJZSA-N 2 0 300.490 3.735 20 0 DHADRP CCc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364290 1034655207 /nfs/dbraw/zinc/65/52/07/1034655207.db2.gz GNULGKJCGOYDCU-HKUYNNGSSA-N 2 0 315.505 3.730 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186846569 1034666543 /nfs/dbraw/zinc/66/65/43/1034666543.db2.gz QDYNADIJCRNXBC-VDERGJSUSA-N 2 0 314.395 3.651 20 0 DHADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000192476439 1034805241 /nfs/dbraw/zinc/80/52/41/1034805241.db2.gz IHNHDGFMIZXTGN-SQGPQFPESA-N 2 0 316.489 3.576 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCCc3occc32)ccc1F ZINC000192868488 1034821771 /nfs/dbraw/zinc/82/17/71/1034821771.db2.gz PTMAFCHWJSHHLR-QGZVFWFLSA-N 2 0 302.393 3.648 20 0 DHADRP c1cc2c(o1)CCC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000192970477 1034823642 /nfs/dbraw/zinc/82/36/42/1034823642.db2.gz PZPJVSQKCVNXSY-GOSISDBHSA-N 2 0 311.429 3.558 20 0 DHADRP CC1([NH+]2CCCC2)CC[NH+](CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001175119299 1034824029 /nfs/dbraw/zinc/82/40/29/1034824029.db2.gz GEHOHONXXUXRIN-SFHVURJKSA-N 2 0 320.521 3.676 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]CCCCC[NH+]2CCCC2)c(F)c1 ZINC000555614054 1034832192 /nfs/dbraw/zinc/83/21/92/1034832192.db2.gz GMOYMVRYWLAFGD-SREVYHEPSA-N 2 0 308.416 3.834 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000481541194 1034872239 /nfs/dbraw/zinc/87/22/39/1034872239.db2.gz AAVWOYRUEGCRMM-QFBILLFUSA-N 2 0 318.480 3.957 20 0 DHADRP CCC(CC)(CC)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000667902804 1034880352 /nfs/dbraw/zinc/88/03/52/1034880352.db2.gz VRZZBTNQMIUUQP-ROUUACIJSA-N 2 0 310.526 3.560 20 0 DHADRP Nc1[nH+]c2ccccc2n1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361763 1034952521 /nfs/dbraw/zinc/95/25/21/1034952521.db2.gz XONOOEIETRHSTP-UHFFFAOYSA-N 2 0 306.413 3.594 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC000443614500 1035017430 /nfs/dbraw/zinc/01/74/30/1035017430.db2.gz KYIHPRWCWMPSDO-BVGQSLNGSA-N 2 0 304.865 3.743 20 0 DHADRP CC[NH+]1CCC([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482159588 1035061820 /nfs/dbraw/zinc/06/18/20/1035061820.db2.gz XAEKBFQMLNUUPC-UHFFFAOYSA-N 2 0 315.288 4.000 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000482344702 1035086608 /nfs/dbraw/zinc/08/66/08/1035086608.db2.gz KBVNLZJZNMWZJQ-FQEVSTJZSA-N 2 0 302.506 3.965 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000482501306 1035122999 /nfs/dbraw/zinc/12/29/99/1035122999.db2.gz BPTXJUCGVJHDNI-AZUAARDMSA-N 2 0 323.569 3.599 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000482511737 1035124686 /nfs/dbraw/zinc/12/46/86/1035124686.db2.gz YAVVEKFIXFKUQB-FQEVSTJZSA-N 2 0 300.490 3.719 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Cl)cc2OC)CC1 ZINC000482655150 1035156383 /nfs/dbraw/zinc/15/63/83/1035156383.db2.gz GVTDMYJQOKPZKD-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP CCCOc1ccc(C[N@H+](C)CCCn2ccnc2C)c(C)c1 ZINC000668166884 1035200551 /nfs/dbraw/zinc/20/05/51/1035200551.db2.gz LEYZHWGWRCFYEM-UHFFFAOYSA-N 2 0 315.461 3.811 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)CC1 ZINC001204169797 1035213564 /nfs/dbraw/zinc/21/35/64/1035213564.db2.gz BOCBBYHPWVUDIK-OAQYLSRUSA-N 2 0 314.517 3.981 20 0 DHADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000483188236 1035240367 /nfs/dbraw/zinc/24/03/67/1035240367.db2.gz ARWZAZXLDXPLKR-KSSFIOAISA-N 2 0 304.478 3.734 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483472669 1035273796 /nfs/dbraw/zinc/27/37/96/1035273796.db2.gz BJYLXVWDVUAHBT-KMFMINBZSA-N 2 0 324.415 3.765 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000483504870 1035275020 /nfs/dbraw/zinc/27/50/20/1035275020.db2.gz LZZRMPHWPJAAIU-NHCUHLMSSA-N 2 0 308.469 3.798 20 0 DHADRP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379738002 1035290196 /nfs/dbraw/zinc/29/01/96/1035290196.db2.gz DAJYODSBPDSOPS-UTKZUKDTSA-N 2 0 324.443 3.925 20 0 DHADRP COc1cccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC001168368220 1035296256 /nfs/dbraw/zinc/29/62/56/1035296256.db2.gz CZDCGCXWFSPDTR-HXUWFJFHSA-N 2 0 314.473 3.610 20 0 DHADRP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC001177127787 1035349042 /nfs/dbraw/zinc/34/90/42/1035349042.db2.gz NYLDDQLERUGFCX-VQTJNVASSA-N 2 0 318.505 3.966 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC001177127757 1035349417 /nfs/dbraw/zinc/34/94/17/1035349417.db2.gz MPODYQPLJOGWBM-CRAIPNDOSA-N 2 0 306.519 3.902 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000194909385 1035357867 /nfs/dbraw/zinc/35/78/67/1035357867.db2.gz LOCCSRKTYBXAJL-MRXNPFEDSA-N 2 0 304.478 3.801 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]C/C=C/c2ccc(F)cc2F)c1 ZINC001177231642 1035358801 /nfs/dbraw/zinc/35/88/01/1035358801.db2.gz YUUYCUJEYQCBDE-QPJJXVBHSA-N 2 0 316.395 3.829 20 0 DHADRP C[C@@H]1Cc2cc(C[NH2+]CCCC[N@@H+]3CCCC[C@H]3C)ccc2O1 ZINC001177299075 1035361357 /nfs/dbraw/zinc/36/13/57/1035361357.db2.gz JZNCQSVGEAWTRU-IAGOWNOFSA-N 2 0 316.489 3.754 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccnc1 ZINC000067668296 1035370422 /nfs/dbraw/zinc/37/04/22/1035370422.db2.gz YBMKGMQEWYQMLA-QGZVFWFLSA-N 2 0 309.457 3.746 20 0 DHADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001177674011 1035386953 /nfs/dbraw/zinc/38/69/53/1035386953.db2.gz HJXGMSKPAMKGCM-LPHOPBHVSA-N 2 0 318.505 3.931 20 0 DHADRP CC[C@H](C)[C@@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001177840635 1035395066 /nfs/dbraw/zinc/39/50/66/1035395066.db2.gz VCSDUJIPWUQAPP-PXNSSMCTSA-N 2 0 320.521 3.531 20 0 DHADRP CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206311493 1035401171 /nfs/dbraw/zinc/40/11/71/1035401171.db2.gz PZXFFWMFHMBDML-QGZVFWFLSA-N 2 0 310.869 3.690 20 0 DHADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000904341475 1035401646 /nfs/dbraw/zinc/40/16/46/1035401646.db2.gz RTHJVFSHCZSEPT-SLEUVZQESA-N 2 0 300.368 3.826 20 0 DHADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(SC(F)(F)F)c1 ZINC000904386004 1035409639 /nfs/dbraw/zinc/40/96/39/1035409639.db2.gz MOYZRWUDTFGWQQ-GRZMOONWSA-N 2 0 304.381 3.686 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001178156716 1035411657 /nfs/dbraw/zinc/41/16/57/1035411657.db2.gz BSHQYHGYMUVTKP-OKZBNKHCSA-N 2 0 312.542 3.928 20 0 DHADRP CCCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001178249116 1035416176 /nfs/dbraw/zinc/41/61/76/1035416176.db2.gz IPEZNQVWBZNORU-LJQANCHMSA-N 2 0 318.505 3.933 20 0 DHADRP CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178823653 1035449958 /nfs/dbraw/zinc/44/99/58/1035449958.db2.gz JTPFDCMABHVJND-MOPGFXCFSA-N 2 0 318.505 3.933 20 0 DHADRP C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178867122 1035452253 /nfs/dbraw/zinc/45/22/53/1035452253.db2.gz CMXGCOZXROOQRQ-APWZRJJASA-N 2 0 304.478 3.685 20 0 DHADRP Cc1ccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000485312970 1035539832 /nfs/dbraw/zinc/53/98/32/1035539832.db2.gz DADUCQGOVSWSTJ-MJGOQNOKSA-N 2 0 318.530 3.812 20 0 DHADRP C[C@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1cc(F)cc(F)c1 ZINC001180097751 1035599263 /nfs/dbraw/zinc/59/92/63/1035599263.db2.gz HMQVSEAGUIZTSQ-KDOFPFPSSA-N 2 0 310.432 3.875 20 0 DHADRP Cc1cc(C)c(/C=C\C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC001180123523 1035603244 /nfs/dbraw/zinc/60/32/44/1035603244.db2.gz BPYMARIMSNHIFO-SREVYHEPSA-N 2 0 300.490 3.899 20 0 DHADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000494489723 1035603656 /nfs/dbraw/zinc/60/36/56/1035603656.db2.gz DWZHABNFNLEAPG-WZGPROSRSA-N 2 0 308.510 3.577 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191266710 1035673319 /nfs/dbraw/zinc/67/33/19/1035673319.db2.gz WNUWJYRNWPTHFW-OAHLLOKOSA-N 2 0 320.525 3.719 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC001204269791 1035686950 /nfs/dbraw/zinc/68/69/50/1035686950.db2.gz JWTYWXLSQJMFTH-QUCCMNQESA-N 2 0 316.489 3.782 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001193649434 1035692386 /nfs/dbraw/zinc/69/23/86/1035692386.db2.gz QEGPPYFGVGRFIS-AQNXPRMDSA-N 2 0 300.490 3.862 20 0 DHADRP COc1ccc([C@H](C)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000539406777 1035720436 /nfs/dbraw/zinc/72/04/36/1035720436.db2.gz DLDAEPASCPLYNS-AEFFLSMTSA-N 2 0 304.478 3.605 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001193848881 1035756012 /nfs/dbraw/zinc/75/60/12/1035756012.db2.gz KAWVOKOQPTWCBS-UYAOXDASSA-N 2 0 300.490 3.988 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000153145651 1035769427 /nfs/dbraw/zinc/76/94/27/1035769427.db2.gz JEJFBKLKJFQPNK-LPHOPBHVSA-N 2 0 316.489 3.784 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000539546331 1035775816 /nfs/dbraw/zinc/77/58/16/1035775816.db2.gz PZIPYDCAFHBUJV-UHFFFAOYSA-N 2 0 316.445 3.906 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192617935 1035804632 /nfs/dbraw/zinc/80/46/32/1035804632.db2.gz KBVFDZJTVVMAMO-LJQANCHMSA-N 2 0 301.478 3.645 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000539859501 1035906052 /nfs/dbraw/zinc/90/60/52/1035906052.db2.gz FPGHEUUOGMNBBH-DLBZAZTESA-N 2 0 303.494 3.525 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000539898631 1035927033 /nfs/dbraw/zinc/92/70/33/1035927033.db2.gz YWJLCANYSMKUCT-RDJZCZTQSA-N 2 0 300.471 3.817 20 0 DHADRP Clc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000226354502 1035931132 /nfs/dbraw/zinc/93/11/32/1035931132.db2.gz HXGBYNGHRINMTH-UHFFFAOYSA-N 2 0 321.877 3.598 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194058831 1035969908 /nfs/dbraw/zinc/96/99/08/1035969908.db2.gz XTPJKNAXTCIUPQ-SFHVURJKSA-N 2 0 324.896 3.739 20 0 DHADRP [NH3+][C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC001205110148 1035975487 /nfs/dbraw/zinc/97/54/87/1035975487.db2.gz QBLZDEGGGZKRAV-CQSZACIVSA-N 2 0 321.877 3.777 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000540159595 1035983249 /nfs/dbraw/zinc/98/32/49/1035983249.db2.gz ALBPBMRPBLOOMO-HKUYNNGSSA-N 2 0 300.490 3.719 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000540607955 1036115093 /nfs/dbraw/zinc/11/50/93/1036115093.db2.gz VZSWKOMPBPBJAV-INIZCTEOSA-N 2 0 311.256 3.832 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000494988980 1036168572 /nfs/dbraw/zinc/16/85/72/1036168572.db2.gz QPPSKSVEFOPXTN-SFHVURJKSA-N 2 0 304.503 3.655 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540991162 1036210736 /nfs/dbraw/zinc/21/07/36/1036210736.db2.gz ZLRRAJJUAATWTD-DBVUQKKJSA-N 2 0 318.505 3.558 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540991165 1036211067 /nfs/dbraw/zinc/21/10/67/1036211067.db2.gz ZLRRAJJUAATWTD-VDGAXYAQSA-N 2 0 318.505 3.558 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541058700 1036227054 /nfs/dbraw/zinc/22/70/54/1036227054.db2.gz YYUMULJIEWKFDC-QGZVFWFLSA-N 2 0 300.490 3.596 20 0 DHADRP C[C@H]1CCCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000541774939 1036421442 /nfs/dbraw/zinc/42/14/42/1036421442.db2.gz AICSTWYTRDYVCJ-MAUKXSAKSA-N 2 0 316.493 3.603 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001182712494 1036431978 /nfs/dbraw/zinc/43/19/78/1036431978.db2.gz ANSGWRQJUWCCPG-RBUKOAKNSA-N 2 0 318.505 3.800 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)C1 ZINC000486952105 1036473620 /nfs/dbraw/zinc/47/36/20/1036473620.db2.gz XFSQTVKSWMSMQW-LPHOPBHVSA-N 2 0 318.530 3.761 20 0 DHADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C[C@H]2CCSC2)c1 ZINC000486954435 1036484447 /nfs/dbraw/zinc/48/44/47/1036484447.db2.gz IPBPOYOAVRVGNR-MRXNPFEDSA-N 2 0 304.503 3.515 20 0 DHADRP CC(C)Cc1ccc(CN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC001196632116 1036581798 /nfs/dbraw/zinc/58/17/98/1036581798.db2.gz MNQCPMWOZMVFKW-PMACEKPBSA-N 2 0 300.490 3.659 20 0 DHADRP C[N@@H+]1C[C@@]2(C)CN(C/C=C/c3ccc(Cl)cc3)C[C@@]2(C)C1 ZINC001196632144 1036582331 /nfs/dbraw/zinc/58/23/31/1036582331.db2.gz MPWVMCRSVOMYFO-OYIOLJDGSA-N 2 0 304.865 3.627 20 0 DHADRP C[N@@H+]1C[C@@]2(C)CN(C/C=C\c3ccc(Cl)cc3)C[C@@]2(C)C1 ZINC001196632142 1036583572 /nfs/dbraw/zinc/58/35/72/1036583572.db2.gz MPWVMCRSVOMYFO-JDVOYXAPSA-N 2 0 304.865 3.627 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000637908041 1036630257 /nfs/dbraw/zinc/63/02/57/1036630257.db2.gz XOFKMOOBQNZHDK-UHFFFAOYSA-N 2 0 314.395 3.565 20 0 DHADRP Fc1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000629548639 1036653837 /nfs/dbraw/zinc/65/38/37/1036653837.db2.gz HWCNAJIQIWDAEP-HOCLYGCPSA-N 2 0 308.416 3.534 20 0 DHADRP C[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000668782410 1036683694 /nfs/dbraw/zinc/68/36/94/1036683694.db2.gz CVPZQVSPBWCLCR-QGZVFWFLSA-N 2 0 300.490 3.577 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134699 1036745233 /nfs/dbraw/zinc/74/52/33/1036745233.db2.gz GWEFUSXBFZOVKX-JSGCOSHPSA-N 2 0 312.910 3.654 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC001184135721 1036748798 /nfs/dbraw/zinc/74/87/98/1036748798.db2.gz UOLZMOKVZLZISE-UHFFFAOYSA-N 2 0 306.881 3.879 20 0 DHADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C)(c4ccccc4)CC3)[C@H]2C1 ZINC001184386678 1036825816 /nfs/dbraw/zinc/82/58/16/1036825816.db2.gz CPMDVTHAKXVXKA-GRBKOLQVSA-N 2 0 312.501 3.817 20 0 DHADRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C)(c4ccccc4)CC3)[C@@H]2C1 ZINC001184386680 1036826997 /nfs/dbraw/zinc/82/69/97/1036826997.db2.gz CPMDVTHAKXVXKA-IQPQKUJJSA-N 2 0 312.501 3.817 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629553927 1036946642 /nfs/dbraw/zinc/94/66/42/1036946642.db2.gz DTBINKJOQRQWSJ-GJZGRUSLSA-N 2 0 300.368 3.541 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000236824394 1036977576 /nfs/dbraw/zinc/97/75/76/1036977576.db2.gz XUXKBLFCXCTHLL-SFHVURJKSA-N 2 0 310.441 3.910 20 0 DHADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COC1CCCCC1 ZINC000316351958 1037088849 /nfs/dbraw/zinc/08/88/49/1037088849.db2.gz JFUGUCQCXQWCSB-GUDVDZBRSA-N 2 0 308.510 3.626 20 0 DHADRP CC(C)CSCCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198829305 1037134843 /nfs/dbraw/zinc/13/48/43/1037134843.db2.gz PVNXDHOVWZHCBG-HDICACEKSA-N 2 0 310.551 3.574 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)CC1)[NH+]1CCCC1 ZINC001199144010 1037205427 /nfs/dbraw/zinc/20/54/27/1037205427.db2.gz MEGUVMLOVKXSEL-QRVBRYPASA-N 2 0 310.526 3.824 20 0 DHADRP Cc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1F ZINC001199320133 1037244817 /nfs/dbraw/zinc/24/48/17/1037244817.db2.gz INHLXEBKLMNMNO-HOTGVXAUSA-N 2 0 306.469 3.982 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000177705307 1037261685 /nfs/dbraw/zinc/26/16/85/1037261685.db2.gz CRAKTWCQVAKZDY-LJQANCHMSA-N 2 0 302.437 3.621 20 0 DHADRP CSCc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001199581708 1037284947 /nfs/dbraw/zinc/28/49/47/1037284947.db2.gz IZYDNUUQZKXUNG-MRXNPFEDSA-N 2 0 306.519 3.761 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)C1 ZINC000774964460 1037296814 /nfs/dbraw/zinc/29/68/14/1037296814.db2.gz VQOLKXZVATWUQV-FXAWDEMLSA-N 2 0 314.473 3.701 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262344782 1037310049 /nfs/dbraw/zinc/31/00/49/1037310049.db2.gz USYPCYFUTKHEGJ-WXYCVUISSA-N 2 0 312.379 3.826 20 0 DHADRP COc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)ccc1C ZINC000774999294 1037358191 /nfs/dbraw/zinc/35/81/91/1037358191.db2.gz FQEXELDJPIMOCG-UHFFFAOYSA-N 2 0 316.489 3.890 20 0 DHADRP COC[C@H](NCCC[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000493842821 1037566578 /nfs/dbraw/zinc/56/65/78/1037566578.db2.gz IRFVXCLGJVVYKC-SFHVURJKSA-N 2 0 324.896 3.739 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205913717 1037574556 /nfs/dbraw/zinc/57/45/56/1037574556.db2.gz JGLYOAKBKMRDCJ-CHWSQXEVSA-N 2 0 300.368 3.573 20 0 DHADRP c1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc(OC2CCCC2)c1 ZINC000490001863 1037574642 /nfs/dbraw/zinc/57/46/42/1037574642.db2.gz CGCIFRBSCHVLSN-FQEVSTJZSA-N 2 0 314.473 3.584 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000493945419 1037602826 /nfs/dbraw/zinc/60/28/26/1037602826.db2.gz QYLABNCHMNPCMG-SCTDSRPQSA-N 2 0 304.478 3.617 20 0 DHADRP CC1(C)[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H]2CCCO[C@H]21 ZINC000776155582 1037606128 /nfs/dbraw/zinc/60/61/28/1037606128.db2.gz FWRNDVXDEWKFFH-IPMKNSEASA-N 2 0 322.537 3.826 20 0 DHADRP COCC(C)(C)C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000494177753 1037660149 /nfs/dbraw/zinc/66/01/49/1037660149.db2.gz ZOXAUUVNIHGCDV-MJGOQNOKSA-N 2 0 318.505 3.549 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1(CC)CC ZINC000776167572 1037668754 /nfs/dbraw/zinc/66/87/54/1037668754.db2.gz FYPCGASSYWPQTO-OPQOLIRYSA-N 2 0 310.526 3.680 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C12CCCCC2 ZINC000776171614 1037675750 /nfs/dbraw/zinc/67/57/50/1037675750.db2.gz UNGGRZRHFZUSQL-BTRQGYIVSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1nc(CN2CCCC23CC[NH+](CC(C)C)CC3)cs1 ZINC001201470404 1037685012 /nfs/dbraw/zinc/68/50/12/1037685012.db2.gz IEDJPHMXNGUCIL-UHFFFAOYSA-N 2 0 307.507 3.538 20 0 DHADRP CC[NH+](CC)CCCN1CC[NH+](C[C@H](C)CCC=C(C)C)CC1 ZINC001201491067 1037711130 /nfs/dbraw/zinc/71/11/30/1037711130.db2.gz QCXPOIMDUPHPNM-HXUWFJFHSA-N 2 0 323.569 3.718 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001201568121 1037783984 /nfs/dbraw/zinc/78/39/84/1037783984.db2.gz NRXYXJOHTNQPAL-HKUYNNGSSA-N 2 0 310.526 3.778 20 0 DHADRP Cc1c(Cl)cccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201658682 1037837508 /nfs/dbraw/zinc/83/75/08/1037837508.db2.gz GUDPVKUOOXLULJ-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000123595768 1037854834 /nfs/dbraw/zinc/85/48/34/1037854834.db2.gz ICQGTZVEGVETHJ-UWJYYQICSA-N 2 0 308.469 3.826 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)[C@H](C)C2 ZINC000491057838 1037899835 /nfs/dbraw/zinc/89/98/35/1037899835.db2.gz XCZRZUQKCDJBAR-MBOZVWFJSA-N 2 0 300.490 3.938 20 0 DHADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COC1CCCC1 ZINC000125226049 1037927611 /nfs/dbraw/zinc/92/76/11/1037927611.db2.gz JJOZQWGNBHYAMT-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC001201947008 1037948943 /nfs/dbraw/zinc/94/89/43/1037948943.db2.gz OSKLJATXBBKQEW-SJLPKXTDSA-N 2 0 316.489 3.746 20 0 DHADRP COc1ccc(Cl)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000916834700 1037989367 /nfs/dbraw/zinc/98/93/67/1037989367.db2.gz UYWYWARXSXEHRS-HNNXBMFYSA-N 2 0 324.896 3.950 20 0 DHADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCC(C)(C)C)C[C@H]3C2)cc1 ZINC001202073570 1038036215 /nfs/dbraw/zinc/03/62/15/1038036215.db2.gz RFLKYXIEWBPFRE-OALUTQOASA-N 2 0 300.490 3.795 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000494322394 1038052882 /nfs/dbraw/zinc/05/28/82/1038052882.db2.gz IBCAGYYPOKYIRB-UHFFFAOYSA-N 2 0 318.505 3.825 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)C1 ZINC000126566515 1038077223 /nfs/dbraw/zinc/07/72/23/1038077223.db2.gz GNWLPCGZNOYYEL-WMLDXEAASA-N 2 0 322.880 3.794 20 0 DHADRP C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc(Br)cc1F ZINC000127054082 1038143804 /nfs/dbraw/zinc/14/38/04/1038143804.db2.gz SVGDKEYRLGLHOL-QWRGUYRKSA-N 2 0 317.246 3.579 20 0 DHADRP Fc1ccc(C2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168380897 1038202550 /nfs/dbraw/zinc/20/25/50/1038202550.db2.gz VFLOLDHECIPEJE-UHFFFAOYSA-N 2 0 316.464 3.880 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000572473207 1038376037 /nfs/dbraw/zinc/37/60/37/1038376037.db2.gz NHVLAXJVYLFQNY-YJBOKZPZSA-N 2 0 318.530 3.946 20 0 DHADRP CCCCOc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205546661 1038408795 /nfs/dbraw/zinc/40/87/95/1038408795.db2.gz YDUZMUADIBLPDT-GOSISDBHSA-N 2 0 308.441 3.518 20 0 DHADRP c1coc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001203290000 1038556967 /nfs/dbraw/zinc/55/69/67/1038556967.db2.gz SWIVRQDWNSDVBZ-MOPGFXCFSA-N 2 0 310.441 3.624 20 0 DHADRP C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(Cl)cn1 ZINC000775494306 1038572838 /nfs/dbraw/zinc/57/28/38/1038572838.db2.gz ZJFGSPXSMBTOKF-WFASDCNBSA-N 2 0 306.841 3.697 20 0 DHADRP C[C@@H]([NH2+]CCNc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775513305 1038605741 /nfs/dbraw/zinc/60/57/41/1038605741.db2.gz WERFHAATHNBIID-QUCCMNQESA-N 2 0 323.484 3.599 20 0 DHADRP C[C@H]1CC[N@H+](CCc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205602044 1038670650 /nfs/dbraw/zinc/67/06/50/1038670650.db2.gz HROVHFXMNIYARQ-DZGCQCFKSA-N 2 0 314.395 3.555 20 0 DHADRP C1=C[C@@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCCC1 ZINC001192482643 1038671945 /nfs/dbraw/zinc/67/19/45/1038671945.db2.gz ZGFUNARKSAASKF-HXUWFJFHSA-N 2 0 320.521 3.700 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603915 1038681917 /nfs/dbraw/zinc/68/19/17/1038681917.db2.gz SOTJTNVRGMCCQG-RYUDHWBXSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@@H]1C[NH3+] ZINC001205603912 1038682146 /nfs/dbraw/zinc/68/21/46/1038682146.db2.gz SNWWZCIQZAFPNM-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603914 1038682783 /nfs/dbraw/zinc/68/27/83/1038682783.db2.gz SOTJTNVRGMCCQG-NWDGAFQWSA-N 2 0 318.358 3.651 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000590787254 1038706405 /nfs/dbraw/zinc/70/64/05/1038706405.db2.gz XFTBWTVYCZSLDL-UHFFFAOYSA-N 2 0 311.473 3.787 20 0 DHADRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccccc1 ZINC000057887326 1038755889 /nfs/dbraw/zinc/75/58/89/1038755889.db2.gz XTQAKSUJDALOCZ-UHFFFAOYSA-N 2 0 322.456 3.599 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000603515635 1039034312 /nfs/dbraw/zinc/03/43/12/1039034312.db2.gz HDBBFZNXDVXSKT-GJYPPUQNSA-N 2 0 304.478 3.541 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000592463544 1039213213 /nfs/dbraw/zinc/21/32/13/1039213213.db2.gz YZAWBLBTZWPCHH-NRFANRHFSA-N 2 0 324.468 3.713 20 0 DHADRP CSC1(C[NH2+]CC[C@@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000574092775 1039404643 /nfs/dbraw/zinc/40/46/43/1039404643.db2.gz YECRIGQMELLPTK-MRXNPFEDSA-N 2 0 306.519 3.597 20 0 DHADRP Cc1ccc(F)c(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000604891069 1039573819 /nfs/dbraw/zinc/57/38/19/1039573819.db2.gz DPTMPJOOOYHRFU-CALCHBBNSA-N 2 0 306.469 3.982 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000574391344 1039644067 /nfs/dbraw/zinc/64/40/67/1039644067.db2.gz WYRVKVZCFQUSKS-GFCCVEGCSA-N 2 0 319.449 3.599 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNCc1cnc(C(C)(C)C)s1 ZINC000059180851 1039836036 /nfs/dbraw/zinc/83/60/36/1039836036.db2.gz GHNQDUUHFNGMFI-CQSZACIVSA-N 2 0 309.523 3.795 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000574816951 1039944142 /nfs/dbraw/zinc/94/41/42/1039944142.db2.gz XZOXUWAXBAFXMS-SFHVURJKSA-N 2 0 306.881 3.593 20 0 DHADRP CC[N@H+](CCC1CCC1)CC1CCN(c2ccccn2)CC1 ZINC000659973004 1039960216 /nfs/dbraw/zinc/96/02/16/1039960216.db2.gz KSZFTTGNWNWURF-UHFFFAOYSA-N 2 0 301.478 3.810 20 0 DHADRP CCSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000595100322 1040062303 /nfs/dbraw/zinc/06/23/03/1040062303.db2.gz RLDHORYWKXCRGT-WMZOPIPTSA-N 2 0 318.530 3.772 20 0 DHADRP CCSC1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000595099689 1040063581 /nfs/dbraw/zinc/06/35/81/1040063581.db2.gz OGLMSSHSIVWIAX-AEFFLSMTSA-N 2 0 318.530 3.772 20 0 DHADRP CCSC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000595098556 1040080530 /nfs/dbraw/zinc/08/05/30/1040080530.db2.gz IKAZDLDZWZENOS-HNNXBMFYSA-N 2 0 322.518 3.563 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000595098484 1040081260 /nfs/dbraw/zinc/08/12/60/1040081260.db2.gz GMQQJIUGVPBQKH-DOTOQJQBSA-N 2 0 310.551 3.905 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168406381 1040157828 /nfs/dbraw/zinc/15/78/28/1040157828.db2.gz YVMAEJHJMACCOS-DNVCBOLYSA-N 2 0 306.469 3.783 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001168408308 1040264485 /nfs/dbraw/zinc/26/44/85/1040264485.db2.gz UQTKMKFOEDTQGS-IBGZPJMESA-N 2 0 304.453 3.539 20 0 DHADRP c1ccc(CSCC[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000597253890 1040712537 /nfs/dbraw/zinc/71/25/37/1040712537.db2.gz AETZMMMGAXVLKE-IBGZPJMESA-N 2 0 318.530 3.631 20 0 DHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000092856858 185346802 /nfs/dbraw/zinc/34/68/02/185346802.db2.gz PVLPFHSJRGMXKX-OAHLLOKOSA-N 2 0 313.420 3.788 20 0 DHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000092856869 185346860 /nfs/dbraw/zinc/34/68/60/185346860.db2.gz SGZTZHDMUHTOBV-OAHLLOKOSA-N 2 0 313.420 3.788 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)ccc2n1 ZINC000187641175 200138657 /nfs/dbraw/zinc/13/86/57/200138657.db2.gz XSSTYKZRQSZNCO-UHFFFAOYSA-N 2 0 311.473 3.896 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(C)o2)cc1 ZINC000061051181 335012073 /nfs/dbraw/zinc/01/20/73/335012073.db2.gz PIXYNNCQXLCUCJ-UHFFFAOYSA-N 2 0 316.445 3.598 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000105449018 194104972 /nfs/dbraw/zinc/10/49/72/194104972.db2.gz ZWVSPIAJLIKBHT-UHFFFAOYSA-N 2 0 307.441 3.909 20 0 DHADRP Cc1nc(C)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000121940808 195378214 /nfs/dbraw/zinc/37/82/14/195378214.db2.gz WXOAZBPXKZJTGA-UHFFFAOYSA-N 2 0 321.534 3.848 20 0 DHADRP C[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272664591 130051882 /nfs/dbraw/zinc/05/18/82/130051882.db2.gz IPXSBYRFCRIQSP-APWZRJJASA-N 2 0 323.484 3.977 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000272878348 130070916 /nfs/dbraw/zinc/07/09/16/130070916.db2.gz QBDFFLFPCZNINS-OAHLLOKOSA-N 2 0 318.530 3.946 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C ZINC000273052597 130086176 /nfs/dbraw/zinc/08/61/76/130086176.db2.gz KAUHPSNZKRTNOH-HNNXBMFYSA-N 2 0 302.462 3.671 20 0 DHADRP C[C@H](CC[NH2+][C@@H](C)c1ccc2c(c1)COC2)[NH+]1CCCCC1 ZINC000273310456 130104884 /nfs/dbraw/zinc/10/48/84/130104884.db2.gz WMFDNFXRNOIFLQ-CVEARBPZSA-N 2 0 302.462 3.632 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273348131 130109319 /nfs/dbraw/zinc/10/93/19/130109319.db2.gz AKRVSXGSUMTYBP-MOPGFXCFSA-N 2 0 320.452 3.508 20 0 DHADRP CSC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274978122 130278562 /nfs/dbraw/zinc/27/85/62/130278562.db2.gz YZDWAPHKRWPCCK-DOTOQJQBSA-N 2 0 306.519 3.628 20 0 DHADRP CSC1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000285391544 131163758 /nfs/dbraw/zinc/16/37/58/131163758.db2.gz WSXIBJMLVHCIJL-UHFFFAOYSA-N 2 0 318.530 3.915 20 0 DHADRP Cc1ccnc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000285853105 131205813 /nfs/dbraw/zinc/20/58/13/131205813.db2.gz XYJRYRZEUJZFNA-BZSNNMDCSA-N 2 0 303.494 3.799 20 0 DHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293563207 131746398 /nfs/dbraw/zinc/74/63/98/131746398.db2.gz ATGAQVMPWDHHOR-MRXNPFEDSA-N 2 0 317.477 3.562 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000340471045 131845842 /nfs/dbraw/zinc/84/58/42/131845842.db2.gz BAPSITLIGARUNU-OXJNMPFZSA-N 2 0 316.489 3.871 20 0 DHADRP c1ccc(CC2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000297332484 132010547 /nfs/dbraw/zinc/01/05/47/132010547.db2.gz CWYASWZDLYIBAR-UHFFFAOYSA-N 2 0 321.468 3.663 20 0 DHADRP C[C@@H](c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1)C(F)(F)F ZINC000297523454 132020358 /nfs/dbraw/zinc/02/03/58/132020358.db2.gz OQYCDCKCOPJNKA-DZGCQCFKSA-N 2 0 314.395 3.736 20 0 DHADRP Cn1cncc1CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000297915891 132040522 /nfs/dbraw/zinc/04/05/22/132040522.db2.gz SRIGKSSKYAEGDE-NRFANRHFSA-N 2 0 317.436 3.762 20 0 DHADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000298334376 132056422 /nfs/dbraw/zinc/05/64/22/132056422.db2.gz IXVXYLFNKMYIBK-OAHLLOKOSA-N 2 0 313.420 3.583 20 0 DHADRP c1ccc(C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000298434710 132062764 /nfs/dbraw/zinc/06/27/64/132062764.db2.gz NFAFPABLDXSWDT-NRFANRHFSA-N 2 0 321.468 3.661 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000120545723 132144046 /nfs/dbraw/zinc/14/40/46/132144046.db2.gz HPTQEGBWRZHICU-ZDUSSCGKSA-N 2 0 320.477 3.664 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000468549716 335071773 /nfs/dbraw/zinc/07/17/73/335071773.db2.gz WRGDBCBJAZLEFI-AOIWGVFYSA-N 2 0 318.505 3.690 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000570516292 332765965 /nfs/dbraw/zinc/76/59/65/332765965.db2.gz URBFJUUPGOEOFI-KRWDZBQOSA-N 2 0 316.832 3.802 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000565484656 331695224 /nfs/dbraw/zinc/69/52/24/331695224.db2.gz YPAMMXVAHFLPBL-UHFFFAOYSA-N 2 0 321.896 3.501 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000556922327 331754165 /nfs/dbraw/zinc/75/41/65/331754165.db2.gz BIVWQIIRJHNTRL-ZFWWWQNUSA-N 2 0 318.427 3.962 20 0 DHADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000261725364 331830470 /nfs/dbraw/zinc/83/04/70/331830470.db2.gz MJLKNRZKONSDHQ-MPGHIAIKSA-N 2 0 317.477 3.606 20 0 DHADRP CSC1(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)CC[NH+](C)CC1 ZINC000558505443 331914159 /nfs/dbraw/zinc/91/41/59/331914159.db2.gz HNHBUIQXHOIYOD-GOSISDBHSA-N 2 0 318.530 3.863 20 0 DHADRP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccccc12)c1cccc(F)c1 ZINC000518351933 332017015 /nfs/dbraw/zinc/01/70/15/332017015.db2.gz FPCFTWNDLWLCNT-IBGZPJMESA-N 2 0 309.388 3.511 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000409447260 332031471 /nfs/dbraw/zinc/03/14/71/332031471.db2.gz IKVKRAIIBZFHTE-SFHVURJKSA-N 2 0 308.510 3.673 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000409447917 332032987 /nfs/dbraw/zinc/03/29/87/332032987.db2.gz NGQMXYVUUYQMRO-RTBURBONSA-N 2 0 320.521 3.532 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180879443 332143749 /nfs/dbraw/zinc/14/37/49/332143749.db2.gz ZZEFVYPJLUHELG-UHFFFAOYSA-N 2 0 314.429 3.893 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000363758250 332241683 /nfs/dbraw/zinc/24/16/83/332241683.db2.gz GVMSTIJDUFJVTI-PKOBYXMFSA-N 2 0 322.537 3.562 20 0 DHADRP C[C@H](CC[NH2+]Cc1ccc2[nH]cnc2c1)[N@H+](C)Cc1ccccc1 ZINC000531094245 332258639 /nfs/dbraw/zinc/25/86/39/332258639.db2.gz UDIDYWSTDLOICH-MRXNPFEDSA-N 2 0 322.456 3.563 20 0 DHADRP C[C@@H](CC[NH2+]Cc1ccc2[nH]cnc2c1)[N@H+](C)Cc1ccccc1 ZINC000531094244 332258735 /nfs/dbraw/zinc/25/87/35/332258735.db2.gz UDIDYWSTDLOICH-INIZCTEOSA-N 2 0 322.456 3.563 20 0 DHADRP C[NH2+]C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000566226163 332259984 /nfs/dbraw/zinc/25/99/84/332259984.db2.gz INTDDZKGLCRAPQ-UHFFFAOYSA-N 2 0 315.288 4.000 20 0 DHADRP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000566230113 332264131 /nfs/dbraw/zinc/26/41/31/332264131.db2.gz IZJZDOPDBHLAOT-GJZGRUSLSA-N 2 0 316.445 3.596 20 0 DHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261600026 332277340 /nfs/dbraw/zinc/27/73/40/332277340.db2.gz AXOACJTZWRSBRD-FQEVSTJZSA-N 2 0 324.468 3.812 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000559753088 332279272 /nfs/dbraw/zinc/27/92/72/332279272.db2.gz LEAGYEXOHOVMIL-IBGZPJMESA-N 2 0 320.908 3.983 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000559753673 332279291 /nfs/dbraw/zinc/27/92/91/332279291.db2.gz PEOAKRBZFITWDR-IBGZPJMESA-N 2 0 316.489 3.830 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@H]2COc3ccccc32)C[C@@H]1c1ccccc1 ZINC000559855863 332285719 /nfs/dbraw/zinc/28/57/19/332285719.db2.gz PWXBGKRJNVMHPM-CMKODMSKSA-N 2 0 322.452 3.588 20 0 DHADRP COc1ccc(OC)c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000559892500 332290147 /nfs/dbraw/zinc/29/01/47/332290147.db2.gz KLZQKYXYJWKFCH-INIZCTEOSA-N 2 0 320.477 3.621 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000560144928 332314672 /nfs/dbraw/zinc/31/46/72/332314672.db2.gz CTNFODVMFPWTSA-LRYGQEGESA-N 2 0 308.510 3.577 20 0 DHADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000564969521 332319015 /nfs/dbraw/zinc/31/90/15/332319015.db2.gz ZXIVGXBZHANAFT-CYBMUJFWSA-N 2 0 304.821 3.771 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)[C@H]2CCC[C@H]21 ZINC000560529475 332352983 /nfs/dbraw/zinc/35/29/83/332352983.db2.gz NOMYMWOUUHYQKN-CEXWTWQISA-N 2 0 316.464 3.710 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000560536352 332354384 /nfs/dbraw/zinc/35/43/84/332354384.db2.gz BWTDSXNEJUENSI-RWBZWWBESA-N 2 0 322.443 3.892 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560571114 332362119 /nfs/dbraw/zinc/36/21/19/332362119.db2.gz FEFNLXHBMOBPLY-JKIFEVAISA-N 2 0 319.880 3.613 20 0 DHADRP Cc1cc([NH+]2CCCCCC2)ccc1NC1CC[NH+](C)CC1 ZINC000560572179 332362623 /nfs/dbraw/zinc/36/26/23/332362623.db2.gz AAWIPQSLGKDCJF-UHFFFAOYSA-N 2 0 301.478 3.882 20 0 DHADRP c1cncc(-c2cccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000583381366 332375583 /nfs/dbraw/zinc/37/55/83/332375583.db2.gz IOYRLXBDEWIIAP-OAQYLSRUSA-N 2 0 321.468 3.570 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C[NH+]1CCCC1 ZINC000171141725 332641896 /nfs/dbraw/zinc/64/18/96/332641896.db2.gz IGBLNQJJMUPHQU-KGLIPLIRSA-N 2 0 312.404 3.671 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000562956482 332651764 /nfs/dbraw/zinc/65/17/64/332651764.db2.gz ZAZZOJKIOCTDAS-LBPRGKRZSA-N 2 0 304.356 3.624 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000570440358 332755419 /nfs/dbraw/zinc/75/54/19/332755419.db2.gz NXGSSVRLBLQDJX-HXUWFJFHSA-N 2 0 312.457 3.889 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000391842089 335122041 /nfs/dbraw/zinc/12/20/41/335122041.db2.gz WQSWVTBSQUJOSB-SFHVURJKSA-N 2 0 311.473 3.867 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCc2ccc(O)cc21 ZINC000319142775 333264350 /nfs/dbraw/zinc/26/43/50/333264350.db2.gz FQOUTCKJKVWVSL-DNVCBOLYSA-N 2 0 302.462 3.624 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927470 333290331 /nfs/dbraw/zinc/29/03/31/333290331.db2.gz IZMCUSINRBRJMG-JSGCOSHPSA-N 2 0 319.836 3.554 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000390680914 333314710 /nfs/dbraw/zinc/31/47/10/333314710.db2.gz VUANSVAQLQWXDL-KLHDSHLOSA-N 2 0 300.437 3.712 20 0 DHADRP C[C@@H]1CC[C@H](C)[NH+]1Cc1cncc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000565344704 333391070 /nfs/dbraw/zinc/39/10/70/333391070.db2.gz JDDQFKXOSXBLLX-WNKDZCFJSA-N 2 0 301.478 3.827 20 0 DHADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1cncc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000565344702 333391080 /nfs/dbraw/zinc/39/10/80/333391080.db2.gz JDDQFKXOSXBLLX-VQHPVUNQSA-N 2 0 301.478 3.827 20 0 DHADRP CCSCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000390768844 333391768 /nfs/dbraw/zinc/39/17/68/333391768.db2.gz JWIRHCKXIOOYCO-IPMKNSEASA-N 2 0 318.530 3.630 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000125352733 333508304 /nfs/dbraw/zinc/50/83/04/333508304.db2.gz GLSWYPBOTJUZTO-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccnc1 ZINC000411439784 333672327 /nfs/dbraw/zinc/67/23/27/333672327.db2.gz QUCZXOFMCIZIAO-QGZVFWFLSA-N 2 0 309.457 3.918 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000414075283 333892069 /nfs/dbraw/zinc/89/20/69/333892069.db2.gz XPENVWZUOMQLQA-AWEZNQCLSA-N 2 0 304.478 3.963 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c(C)c1 ZINC000414152870 333903792 /nfs/dbraw/zinc/90/37/92/333903792.db2.gz XMCSGNFDOTXLSN-KRWDZBQOSA-N 2 0 304.478 3.920 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414162937 333915388 /nfs/dbraw/zinc/91/53/88/333915388.db2.gz FCWPUIPGENTGRZ-GOSISDBHSA-N 2 0 307.397 3.646 20 0 DHADRP C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272500724 334035715 /nfs/dbraw/zinc/03/57/15/334035715.db2.gz NWKVFOLKIVUMOF-SJLPKXTDSA-N 2 0 314.498 3.791 20 0 DHADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414647712 334054236 /nfs/dbraw/zinc/05/42/36/334054236.db2.gz ABOTUASJWCRECT-CQSZACIVSA-N 2 0 318.367 3.538 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000414649826 334054514 /nfs/dbraw/zinc/05/45/14/334054514.db2.gz ALJMERRYVMRAQC-RTWAWAEBSA-N 2 0 312.501 3.961 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651335 334055115 /nfs/dbraw/zinc/05/51/15/334055115.db2.gz CBBWEHFIXLYFDH-IPYPFGDCSA-N 2 0 314.395 3.868 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cc2)cc1 ZINC000414658363 334058566 /nfs/dbraw/zinc/05/85/66/334058566.db2.gz JHLSHOGOAPRHJM-PXNSSMCTSA-N 2 0 324.468 3.743 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000414659793 334058882 /nfs/dbraw/zinc/05/88/82/334058882.db2.gz TZWKAHUYNKFCKD-UHFFFAOYSA-N 2 0 310.441 3.533 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000414662872 334061272 /nfs/dbraw/zinc/06/12/72/334061272.db2.gz RLFAFYPKNOVFNA-UZLBHIALSA-N 2 0 324.468 3.840 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414666983 334062196 /nfs/dbraw/zinc/06/21/96/334062196.db2.gz XFPVTZUFKBQJHB-APWZRJJASA-N 2 0 324.468 3.921 20 0 DHADRP CC(C)C[C@@H](C)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414708185 334071933 /nfs/dbraw/zinc/07/19/33/334071933.db2.gz CNRWAFOLNHUJMC-IEBWSBKVSA-N 2 0 303.494 3.708 20 0 DHADRP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000343534285 335175820 /nfs/dbraw/zinc/17/58/20/335175820.db2.gz IOHPDQBQOCZQNM-SJLPKXTDSA-N 2 0 315.848 3.997 20 0 DHADRP Clc1scc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1Cl ZINC000414777878 334092473 /nfs/dbraw/zinc/09/24/73/334092473.db2.gz IOHUUTSYZOBBDG-GHMZBOCLSA-N 2 0 319.301 3.876 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778987 334092696 /nfs/dbraw/zinc/09/26/96/334092696.db2.gz JYEXKBKGQNOFCM-HUUCEWRRSA-N 2 0 300.471 3.723 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc2c1 ZINC000414780911 334093223 /nfs/dbraw/zinc/09/32/23/334093223.db2.gz MCZPAFBDQFEEIQ-WOJBJXKFSA-N 2 0 324.468 3.670 20 0 DHADRP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414781196 334093573 /nfs/dbraw/zinc/09/35/73/334093573.db2.gz MRKMJCWPXVEMCI-LSDHHAIUSA-N 2 0 312.379 3.527 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc12 ZINC000414786678 334096424 /nfs/dbraw/zinc/09/64/24/334096424.db2.gz USQFGLCMTVUELD-IAGOWNOFSA-N 2 0 324.468 3.670 20 0 DHADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(-c2ccncc2)c1 ZINC000414789211 334097121 /nfs/dbraw/zinc/09/71/21/334097121.db2.gz YAESVCQPLZQLSL-LEWJYISDSA-N 2 0 321.468 3.570 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414799628 334102011 /nfs/dbraw/zinc/10/20/11/334102011.db2.gz KEUAQNZNJGLTHH-ABAIWWIYSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414806368 334103466 /nfs/dbraw/zinc/10/34/66/334103466.db2.gz QARZKXRNWRSAOO-XPKDYRNWSA-N 2 0 314.395 3.916 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414804267 334103774 /nfs/dbraw/zinc/10/37/74/334103774.db2.gz XCRILPLAUAZQOP-IPMKNSEASA-N 2 0 304.478 3.683 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414807830 334104249 /nfs/dbraw/zinc/10/42/49/334104249.db2.gz ROQODUCLQGWHFE-YPMHNXCESA-N 2 0 318.795 3.549 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000414806571 334104472 /nfs/dbraw/zinc/10/44/72/334104472.db2.gz HSKUPWDNMOBFOW-GFCCVEGCSA-N 2 0 316.832 3.584 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000414811085 334105811 /nfs/dbraw/zinc/10/58/11/334105811.db2.gz ITATYLUVDKDXJC-XIKOKIGWSA-N 2 0 300.833 3.617 20 0 DHADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414825241 334109190 /nfs/dbraw/zinc/10/91/90/334109190.db2.gz GRIDOOXYQYQMAR-AEZOWIDVSA-N 2 0 312.379 3.682 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414837266 334111617 /nfs/dbraw/zinc/11/16/17/334111617.db2.gz JJUHVVYDFDARPT-AHRSYUTCSA-N 2 0 321.553 3.527 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414849012 334121130 /nfs/dbraw/zinc/12/11/30/334121130.db2.gz HANGEGFVKSCFEF-GDBMZVCRSA-N 2 0 315.486 3.596 20 0 DHADRP CC[NH2+]Cc1cccc(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000414873777 334144080 /nfs/dbraw/zinc/14/40/80/334144080.db2.gz XSEUIBAXXWSGQR-UXHICEINSA-N 2 0 309.457 3.701 20 0 DHADRP CC[NH2+]Cc1cccc(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000414873781 334144089 /nfs/dbraw/zinc/14/40/89/334144089.db2.gz XSEUIBAXXWSGQR-VQTJNVASSA-N 2 0 309.457 3.701 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414874766 334144743 /nfs/dbraw/zinc/14/47/43/334144743.db2.gz JASDVKCUEJKZOX-ZWKOTPCHSA-N 2 0 302.462 3.581 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1([NH3+])CCC1 ZINC000414875719 334145757 /nfs/dbraw/zinc/14/57/57/334145757.db2.gz KKIUCWWWNGUEQJ-ZDUSSCGKSA-N 2 0 301.261 3.786 20 0 DHADRP Cc1ccnc([C@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000286248223 334152513 /nfs/dbraw/zinc/15/25/13/334152513.db2.gz UHAZAHRDKKLPOO-AZUAARDMSA-N 2 0 323.484 3.605 20 0 DHADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414894556 334159420 /nfs/dbraw/zinc/15/94/20/334159420.db2.gz TTYIGQCXMNSPIE-BZUAXINKSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901831 334165206 /nfs/dbraw/zinc/16/52/06/334165206.db2.gz GXCGERBFWPXTEG-XJKSGUPXSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414915749 334177384 /nfs/dbraw/zinc/17/73/84/334177384.db2.gz NAZCIQTUYSJLBA-WFASDCNBSA-N 2 0 300.368 3.541 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414934520 334196894 /nfs/dbraw/zinc/19/68/94/334196894.db2.gz FCURESGZFRVRQP-SGIREYDYSA-N 2 0 315.288 3.902 20 0 DHADRP COc1ccccc1[C@H](N[C@H](C)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000415083478 334272505 /nfs/dbraw/zinc/27/25/05/334272505.db2.gz FOWOCWZYDXZGOX-HGHGUNKESA-N 2 0 324.468 3.905 20 0 DHADRP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415083018 334272516 /nfs/dbraw/zinc/27/25/16/334272516.db2.gz DUJOEYTWAUZTHM-GUDVDZBRSA-N 2 0 314.473 3.628 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414957023 334208864 /nfs/dbraw/zinc/20/88/64/334208864.db2.gz BESWKHQPZBZSJE-CZUORRHYSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)CC[NH2+]1 ZINC000414962409 334212981 /nfs/dbraw/zinc/21/29/81/334212981.db2.gz ZQIJKKYDZSAEFL-OLZOCXBDSA-N 2 0 304.434 3.784 20 0 DHADRP Cc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(OC(F)F)cc1C ZINC000414969873 334216064 /nfs/dbraw/zinc/21/60/64/334216064.db2.gz JTPBQNJJEBLGOC-HNNXBMFYSA-N 2 0 312.404 3.527 20 0 DHADRP Clc1cccc(N2CCCC2)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969869 334216146 /nfs/dbraw/zinc/21/61/46/334216146.db2.gz JTFREZQPXMTJFW-OAHLLOKOSA-N 2 0 321.896 3.562 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(OC(F)F)cc1C ZINC000414988428 334229619 /nfs/dbraw/zinc/22/96/19/334229619.db2.gz FZIYPAAMVYTDBW-UKRRQHHQSA-N 2 0 312.404 3.512 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414994924 334233175 /nfs/dbraw/zinc/23/31/75/334233175.db2.gz FDUBDGZIQGENPS-HZMBPMFUSA-N 2 0 320.786 3.966 20 0 DHADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000415052448 334259128 /nfs/dbraw/zinc/25/91/28/334259128.db2.gz LHBNMQTWWBHTBN-CTNGQTDRSA-N 2 0 324.468 3.622 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000415019972 334259389 /nfs/dbraw/zinc/25/93/89/334259389.db2.gz FSSSLZREPFDEFF-HDJSIYSDSA-N 2 0 317.864 3.743 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415027270 334259907 /nfs/dbraw/zinc/25/99/07/334259907.db2.gz ATQAKROMNIHJRF-LALPHHSUSA-N 2 0 300.368 3.526 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000415026672 334259930 /nfs/dbraw/zinc/25/99/30/334259930.db2.gz UNMBFMAFFQLJLH-JOCQHMNTSA-N 2 0 321.515 3.726 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000415027908 334260079 /nfs/dbraw/zinc/26/00/79/334260079.db2.gz XPDJCMRQYSBNKE-HAQNSBGRSA-N 2 0 318.358 3.699 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415032831 334260277 /nfs/dbraw/zinc/26/02/77/334260277.db2.gz IKFOZFAWAGNQFV-SKDRFNHKSA-N 2 0 306.759 3.576 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000415031901 334260280 /nfs/dbraw/zinc/26/02/80/334260280.db2.gz HJXIITVVYJZOFH-TZMCWYRMSA-N 2 0 320.383 3.658 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415031108 334260341 /nfs/dbraw/zinc/26/03/41/334260341.db2.gz GJKFRQUPCJKLSE-VQIMIIECSA-N 2 0 324.468 3.888 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415037443 334260443 /nfs/dbraw/zinc/26/04/43/334260443.db2.gz MKIJXTYXKYCZMT-UNMCSNQZSA-N 2 0 322.496 3.805 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415048851 334261486 /nfs/dbraw/zinc/26/14/86/334261486.db2.gz GHRPUFHFUBBLIV-KXBFYZLASA-N 2 0 300.421 3.827 20 0 DHADRP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(Cl)c1 ZINC000415055882 334261631 /nfs/dbraw/zinc/26/16/31/334261631.db2.gz PFCWSFGWOKJMTG-SFHVURJKSA-N 2 0 318.848 3.918 20 0 DHADRP Clc1cccc(CC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)c1 ZINC000415075785 334267035 /nfs/dbraw/zinc/26/70/35/334267035.db2.gz AHCQPHYGZFBXPS-MOPGFXCFSA-N 2 0 314.860 3.965 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000415078515 334270525 /nfs/dbraw/zinc/27/05/25/334270525.db2.gz ITGFGUCVKLVYCM-SFHVURJKSA-N 2 0 318.505 3.731 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000415080743 334271358 /nfs/dbraw/zinc/27/13/58/334271358.db2.gz JOSGOBOTZHZSBU-JXQTWKCFSA-N 2 0 304.331 3.679 20 0 DHADRP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000534496902 334277909 /nfs/dbraw/zinc/27/79/09/334277909.db2.gz KVMGWOTUFHDFEJ-GJZGRUSLSA-N 2 0 304.503 3.934 20 0 DHADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC000415089501 334279684 /nfs/dbraw/zinc/27/96/84/334279684.db2.gz YBFPJGIRIGGUHG-FXAWDEMLSA-N 2 0 324.468 3.743 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000415090539 334279935 /nfs/dbraw/zinc/27/99/35/334279935.db2.gz XULLVYPRHSFAKR-KWCHVYNWSA-N 2 0 318.358 3.926 20 0 DHADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415091772 334280470 /nfs/dbraw/zinc/28/04/70/334280470.db2.gz ZZZPBNVSFXFSPS-MJGOQNOKSA-N 2 0 324.468 3.853 20 0 DHADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415093629 334280690 /nfs/dbraw/zinc/28/06/90/334280690.db2.gz CHYFDYCODDIHRG-WFASDCNBSA-N 2 0 302.384 3.772 20 0 DHADRP CC[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000531949497 334303497 /nfs/dbraw/zinc/30/34/97/334303497.db2.gz DWMBNPHAMPVADQ-IRXDYDNUSA-N 2 0 318.505 3.931 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000531955089 334306361 /nfs/dbraw/zinc/30/63/61/334306361.db2.gz FJUYRDHZEKVBSA-SFHVURJKSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000531977359 334346708 /nfs/dbraw/zinc/34/67/08/334346708.db2.gz IUXHCGISPPEOBG-KBPBESRZSA-N 2 0 306.416 3.818 20 0 DHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(F)c1 ZINC000353653280 334392283 /nfs/dbraw/zinc/39/22/83/334392283.db2.gz YDCKPRKIPKRAKT-MRXNPFEDSA-N 2 0 310.482 3.694 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000342791995 334571773 /nfs/dbraw/zinc/57/17/73/334571773.db2.gz GBGNYWSDBYMHEJ-MJGOQNOKSA-N 2 0 322.493 3.766 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000443640809 338458596 /nfs/dbraw/zinc/45/85/96/338458596.db2.gz OGANROCAEMVRBF-AZUAARDMSA-N 2 0 322.537 3.802 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323737 334708516 /nfs/dbraw/zinc/70/85/16/334708516.db2.gz OYMSRFVXUGJOHC-XOKHGSTOSA-N 2 0 304.503 3.704 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000344298546 335238177 /nfs/dbraw/zinc/23/81/77/335238177.db2.gz BVHFXOVMIBMMIY-SFHVURJKSA-N 2 0 304.865 3.959 20 0 DHADRP COC1CCC(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000344607724 335263476 /nfs/dbraw/zinc/26/34/76/335263476.db2.gz XBQDZWDZEGTWHB-YMPIPDKKSA-N 2 0 316.489 3.617 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000366875743 335273239 /nfs/dbraw/zinc/27/32/39/335273239.db2.gz IGTBEKZRUZZYCL-IBGZPJMESA-N 2 0 323.484 3.899 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000346143488 335380708 /nfs/dbraw/zinc/38/07/08/335380708.db2.gz YYJKAUVKBYAKDK-PMACEKPBSA-N 2 0 318.505 3.820 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000346158457 335383142 /nfs/dbraw/zinc/38/31/42/335383142.db2.gz BXRBGKRPJIQCME-OAHLLOKOSA-N 2 0 318.424 3.523 20 0 DHADRP CCC1CCC([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346159588 335383617 /nfs/dbraw/zinc/38/36/17/335383617.db2.gz CMOPMJNKVSBVJH-UHFFFAOYSA-N 2 0 312.461 3.976 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c3ncccc3c2)C[C@H]1C ZINC000346161187 335383723 /nfs/dbraw/zinc/38/37/23/335383723.db2.gz DUXRQDSMBLSQGH-VQIMIIECSA-N 2 0 311.473 3.848 20 0 DHADRP Cc1nccn1CC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000346308080 335398545 /nfs/dbraw/zinc/39/85/45/335398545.db2.gz LAFFCQFAFQRSNL-CQSZACIVSA-N 2 0 321.827 3.691 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCCO1 ZINC000346555794 335415165 /nfs/dbraw/zinc/41/51/65/335415165.db2.gz PJMOUAVXUMXABP-YLJYHZDGSA-N 2 0 316.489 3.720 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000347031139 335464748 /nfs/dbraw/zinc/46/47/48/335464748.db2.gz YDCGPWKSIJTUHV-UHFFFAOYSA-N 2 0 306.837 3.908 20 0 DHADRP CC[C@H](C)C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000536755465 335884022 /nfs/dbraw/zinc/88/40/22/335884022.db2.gz GTNPNAVAPHYPJR-SFHVURJKSA-N 2 0 317.521 3.533 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000583661431 336035771 /nfs/dbraw/zinc/03/57/71/336035771.db2.gz NSNBMXISENANKB-KYVUIXNKSA-N 2 0 320.427 3.642 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000526114090 336178691 /nfs/dbraw/zinc/17/86/91/336178691.db2.gz DLIPLHWGQKDNDK-UHFFFAOYSA-N 2 0 318.505 3.898 20 0 DHADRP FCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000352045095 336191426 /nfs/dbraw/zinc/19/14/26/336191426.db2.gz JGHVVFHULFCDAY-IBGZPJMESA-N 2 0 304.453 3.724 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000167573016 336195491 /nfs/dbraw/zinc/19/54/91/336195491.db2.gz NUZNSZGZDUPFAM-OTWHNJEPSA-N 2 0 320.521 3.577 20 0 DHADRP COc1ccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2c1 ZINC000192626664 336200190 /nfs/dbraw/zinc/20/01/90/336200190.db2.gz NHTYJNQDEYXFPA-YQQQUEKLSA-N 2 0 310.441 3.563 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000352243153 336206090 /nfs/dbraw/zinc/20/60/90/336206090.db2.gz XUIFOISJKDMYNY-UHFFFAOYSA-N 2 0 309.457 3.530 20 0 DHADRP C[C@H](c1cccnc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352437628 336218695 /nfs/dbraw/zinc/21/86/95/336218695.db2.gz CZOCHDGIDBYXGB-DUXKGJEZSA-N 2 0 321.468 3.597 20 0 DHADRP Cc1cc(CN2CCCC[C@H]2CC[NH3+])sc1Br ZINC000352526702 336222735 /nfs/dbraw/zinc/22/27/35/336222735.db2.gz QRYPIECTLJNZRR-NSHDSACASA-N 2 0 317.296 3.522 20 0 DHADRP CCc1ccc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000352734336 336232986 /nfs/dbraw/zinc/23/29/86/336232986.db2.gz WWKCDPFVPQIBHA-OAQYLSRUSA-N 2 0 323.484 3.788 20 0 DHADRP CCc1ccc(C[NH2+]Cc2cccc(C[NH+](CC)CC)c2)cn1 ZINC000352778543 336235878 /nfs/dbraw/zinc/23/58/78/336235878.db2.gz HSISLYYCTIRFRP-UHFFFAOYSA-N 2 0 311.473 3.776 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCN2CCC(C)CC2)cc1 ZINC000532459449 336248449 /nfs/dbraw/zinc/24/84/49/336248449.db2.gz SJBKNPWJFKAMEW-DLBZAZTESA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000532476561 336251236 /nfs/dbraw/zinc/25/12/36/336251236.db2.gz QWPCVOHTLXDHKQ-DJJJIMSYSA-N 2 0 302.437 3.523 20 0 DHADRP C[C@@H]1CC[N@H+](CCSCc2ccccc2)C[C@@H]1n1ccnc1 ZINC000192692428 336258457 /nfs/dbraw/zinc/25/84/57/336258457.db2.gz GKTVIPPOPIDUPC-AEFFLSMTSA-N 2 0 315.486 3.699 20 0 DHADRP Cc1ccsc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192933888 336285055 /nfs/dbraw/zinc/28/50/55/336285055.db2.gz JWYLBVQEHSVDOP-QGZVFWFLSA-N 2 0 300.471 3.668 20 0 DHADRP CC(C)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)nc(C(C)C)n1 ZINC000301846526 336333719 /nfs/dbraw/zinc/33/37/19/336333719.db2.gz AXUHXMQJTYDVEZ-DOTOQJQBSA-N 2 0 316.493 3.644 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000302109863 336348945 /nfs/dbraw/zinc/34/89/45/336348945.db2.gz ZAPLCRWEVMCJQG-QFBILLFUSA-N 2 0 309.457 3.772 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352964490 336379756 /nfs/dbraw/zinc/37/97/56/336379756.db2.gz BODXMDJPCJYMJX-WSTZPKSXSA-N 2 0 323.484 3.951 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000110643971 336397060 /nfs/dbraw/zinc/39/70/60/336397060.db2.gz RBTZYYQXDSCEOX-RYUDHWBXSA-N 2 0 311.267 3.569 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)C(C)(C)C ZINC000353613293 336428848 /nfs/dbraw/zinc/42/88/48/336428848.db2.gz NJSKZSINDVDYAH-UHFFFAOYSA-N 2 0 300.450 3.738 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000356107318 336535836 /nfs/dbraw/zinc/53/58/36/336535836.db2.gz GLDFRXJJUMOQKU-MJGOQNOKSA-N 2 0 322.537 3.802 20 0 DHADRP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000356122420 336536855 /nfs/dbraw/zinc/53/68/55/336536855.db2.gz HANFIBWKKLIIKI-IEBWSBKVSA-N 2 0 320.521 3.556 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2ccc(OC)cc2)CC1 ZINC000361156474 336741573 /nfs/dbraw/zinc/74/15/73/336741573.db2.gz SETBIYWLUVNMSC-IBGZPJMESA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1(C)C ZINC000361237178 336745980 /nfs/dbraw/zinc/74/59/80/336745980.db2.gz IUHIHEQMANUMHX-MSOLQXFVSA-N 2 0 322.468 3.569 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000361925206 336778324 /nfs/dbraw/zinc/77/83/24/336778324.db2.gz HXQZOYZXRKKIRQ-GDBMZVCRSA-N 2 0 324.534 3.634 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000361925211 336778389 /nfs/dbraw/zinc/77/83/89/336778389.db2.gz HXQZOYZXRKKIRQ-GOEBONIOSA-N 2 0 324.534 3.634 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC000367999044 336834081 /nfs/dbraw/zinc/83/40/81/336834081.db2.gz SHTFANAXFNJUEX-HKUYNNGSSA-N 2 0 324.553 3.928 20 0 DHADRP CC(C)C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000371486411 336906103 /nfs/dbraw/zinc/90/61/03/336906103.db2.gz WPHNLBORXIYCNO-QUCCMNQESA-N 2 0 322.537 3.967 20 0 DHADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccccc1OC ZINC000121804608 336980635 /nfs/dbraw/zinc/98/06/35/336980635.db2.gz DROVETSTTMBEAK-SFHVURJKSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc2oc(C[N@@H+]3CCCC34CC[NH+](C)CC4)cc2c1 ZINC000375507604 337012422 /nfs/dbraw/zinc/01/24/22/337012422.db2.gz PKHYSWQEIWQAPO-UHFFFAOYSA-N 2 0 314.429 3.502 20 0 DHADRP C[N@H+](CCCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375766144 337019144 /nfs/dbraw/zinc/01/91/44/337019144.db2.gz ZVPAYNVVPBPINJ-JWTNVVGKSA-N 2 0 306.881 3.830 20 0 DHADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000376489267 337034761 /nfs/dbraw/zinc/03/47/61/337034761.db2.gz CLYVXLFOBGOYCT-HOCLYGCPSA-N 2 0 322.412 3.512 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-c2cncnc2)cc1 ZINC000376966907 337044377 /nfs/dbraw/zinc/04/43/77/337044377.db2.gz IVTMSYVOKJXCLB-KRWDZBQOSA-N 2 0 324.472 3.670 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)[C@@H]2c2cccs2)CS1 ZINC000377385950 337051635 /nfs/dbraw/zinc/05/16/35/337051635.db2.gz KMAYTPXNEVHSFI-OHFALNGGSA-N 2 0 324.559 3.861 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(C)c1O ZINC000377617238 337056367 /nfs/dbraw/zinc/05/63/67/337056367.db2.gz AFXOJKBPKZEJPP-UXHICEINSA-N 2 0 324.468 3.792 20 0 DHADRP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377629259 337056837 /nfs/dbraw/zinc/05/68/37/337056837.db2.gz SGQHUNIFAXYRLI-RTWAWAEBSA-N 2 0 323.484 3.605 20 0 DHADRP Cc1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000377703204 337059287 /nfs/dbraw/zinc/05/92/87/337059287.db2.gz WGBHJYHIACVXNF-UHFFFAOYSA-N 2 0 313.420 3.630 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)[C@@H]1c1ccccc1 ZINC000378513530 337074742 /nfs/dbraw/zinc/07/47/42/337074742.db2.gz BJIPCDQFQDFNFL-KURKYZTESA-N 2 0 316.489 3.615 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515305 337074953 /nfs/dbraw/zinc/07/49/53/337074953.db2.gz GKDJXSXVHWAQNY-ZLGUVYLKSA-N 2 0 324.468 3.523 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000378517694 337075024 /nfs/dbraw/zinc/07/50/24/337075024.db2.gz KMUZETPVOMOQNW-YVWKXTFCSA-N 2 0 312.457 3.883 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193907092 337081220 /nfs/dbraw/zinc/08/12/20/337081220.db2.gz YZNIPHLTLCXIRD-SFHVURJKSA-N 2 0 306.519 3.630 20 0 DHADRP CCC(CC)(CC)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000360022570 337083948 /nfs/dbraw/zinc/08/39/48/337083948.db2.gz XUWJPMBNODUMFY-UHFFFAOYSA-N 2 0 323.569 3.693 20 0 DHADRP CCc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c2ccccc2[nH+]1 ZINC000582478533 337096258 /nfs/dbraw/zinc/09/62/58/337096258.db2.gz RAENAYYZWQZYPD-NVXWUHKLSA-N 2 0 309.457 3.860 20 0 DHADRP Cc1ncsc1CCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000172538660 337129912 /nfs/dbraw/zinc/12/99/12/337129912.db2.gz FTODEOHTFNZXBW-DOTOQJQBSA-N 2 0 321.534 3.580 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000173950663 337137905 /nfs/dbraw/zinc/13/79/05/337137905.db2.gz URHGJGZYDMEETH-QGZVFWFLSA-N 2 0 309.457 3.705 20 0 DHADRP Cc1ccsc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036832 337159922 /nfs/dbraw/zinc/15/99/22/337159922.db2.gz NWZPCMBSFAYVDN-OWCLPIDISA-N 2 0 310.507 3.597 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000178092522 337160465 /nfs/dbraw/zinc/16/04/65/337160465.db2.gz LAGAWJWOFNLOJZ-ROUUACIJSA-N 2 0 318.505 3.966 20 0 DHADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000178139562 337162554 /nfs/dbraw/zinc/16/25/54/337162554.db2.gz VAMHLUGAUJTIBZ-QGZVFWFLSA-N 2 0 321.509 3.515 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000179169092 337168078 /nfs/dbraw/zinc/16/80/78/337168078.db2.gz GLLPNFBGYXSBJG-CRAIPNDOSA-N 2 0 304.503 3.814 20 0 DHADRP c1cn(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000321024688 337175987 /nfs/dbraw/zinc/17/59/87/337175987.db2.gz VNRQSODWNLNUPJ-QRVBRYPASA-N 2 0 311.473 3.542 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000182029887 337185795 /nfs/dbraw/zinc/18/57/95/337185795.db2.gz ODYFLSNWNYOJGV-HNNXBMFYSA-N 2 0 317.477 3.560 20 0 DHADRP CC[NH+](CC)CCCC1CCN(Cc2csc(C)n2)CC1 ZINC000182777680 337189795 /nfs/dbraw/zinc/18/97/95/337189795.db2.gz AKXXPWPUQDWJDP-UHFFFAOYSA-N 2 0 309.523 3.786 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000582820051 337200827 /nfs/dbraw/zinc/20/08/27/337200827.db2.gz VOHOIPBLGHSJIC-LJQANCHMSA-N 2 0 322.537 3.922 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394992663 337201798 /nfs/dbraw/zinc/20/17/98/337201798.db2.gz GHHOXVVHBCHMQC-DYESRHJHSA-N 2 0 324.468 3.695 20 0 DHADRP Cc1ccc(Cn2nc(C(F)(F)F)c3cnccc32)c(C)n1 ZINC000185391427 337204562 /nfs/dbraw/zinc/20/45/62/337204562.db2.gz KEBXQODWOUBUOJ-UHFFFAOYSA-N 2 0 306.291 3.510 20 0 DHADRP CC(C)OC1CC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000186550940 337257538 /nfs/dbraw/zinc/25/75/38/337257538.db2.gz AYGITLHOEAGRMJ-HSFDUWRESA-N 2 0 316.489 3.585 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000583230734 337281011 /nfs/dbraw/zinc/28/10/11/337281011.db2.gz DBETYVPCXCVWKW-MISYRCLQSA-N 2 0 300.490 3.671 20 0 DHADRP c1ccc(C[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000321644139 337281068 /nfs/dbraw/zinc/28/10/68/337281068.db2.gz WUUXIQOSNUPDBQ-CTNGQTDRSA-N 2 0 306.453 3.797 20 0 DHADRP Cc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc(C)c1O ZINC000583232445 337281251 /nfs/dbraw/zinc/28/12/51/337281251.db2.gz YHWMDQPXHUIRHF-UHFFFAOYSA-N 2 0 316.489 3.896 20 0 DHADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCCCC2)O1 ZINC000190979954 337291922 /nfs/dbraw/zinc/29/19/22/337291922.db2.gz BQGVEBHFIYVYIU-ROUUACIJSA-N 2 0 317.477 3.538 20 0 DHADRP CC[NH+](CC)CCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000191499568 337297504 /nfs/dbraw/zinc/29/75/04/337297504.db2.gz MDNHFDZSCCJXMI-UHFFFAOYSA-N 2 0 320.321 3.535 20 0 DHADRP C[N@H+](CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000321953666 337306851 /nfs/dbraw/zinc/30/68/51/337306851.db2.gz MCMDYLDBHFPNCU-VAMGGRTRSA-N 2 0 321.553 3.541 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000584463781 337343535 /nfs/dbraw/zinc/34/35/35/337343535.db2.gz VDCWNICKZKQAAQ-ZDUSSCGKSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420228208 337496921 /nfs/dbraw/zinc/49/69/21/337496921.db2.gz KRIGRFZKLLKRCG-APHBMKBZSA-N 2 0 315.848 3.679 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420306227 337498869 /nfs/dbraw/zinc/49/88/69/337498869.db2.gz ACBXQJQJXRDFDW-RDTXWAMCSA-N 2 0 304.865 3.649 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420306222 337499040 /nfs/dbraw/zinc/49/90/40/337499040.db2.gz ACBXQJQJXRDFDW-KBXCAEBGSA-N 2 0 304.865 3.649 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)CCC2 ZINC000420334183 337499503 /nfs/dbraw/zinc/49/95/03/337499503.db2.gz ITSREQHUQOJBFI-OALUTQOASA-N 2 0 302.437 3.667 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000571872841 337579470 /nfs/dbraw/zinc/57/94/70/337579470.db2.gz CZBATBCWTFDMKS-GFCCVEGCSA-N 2 0 304.356 3.624 20 0 DHADRP C(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC[NH+]1CCCC1 ZINC000572189507 337595894 /nfs/dbraw/zinc/59/58/94/337595894.db2.gz UZAQOMWDDHZBKQ-UHFFFAOYSA-N 3 0 321.553 3.639 20 0 DHADRP C[NH2+]CCC1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000261999295 337614035 /nfs/dbraw/zinc/61/40/35/337614035.db2.gz PBKWPIFQXNUYHI-HNNXBMFYSA-N 2 0 313.445 3.724 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC000421821549 337649278 /nfs/dbraw/zinc/64/92/78/337649278.db2.gz RZSVIJSNQJJWSZ-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CCCO2 ZINC000421875317 337657756 /nfs/dbraw/zinc/65/77/56/337657756.db2.gz JRPYIWWAXWTNCJ-TVPLGVNVSA-N 2 0 316.489 3.980 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421893755 337659370 /nfs/dbraw/zinc/65/93/70/337659370.db2.gz ZWOCFOGDWUDTAA-UGHPEYLZSA-N 2 0 316.489 3.650 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000422764788 337685406 /nfs/dbraw/zinc/68/54/06/337685406.db2.gz QIGWNWRJQTVJQD-CHWSQXEVSA-N 2 0 318.383 3.580 20 0 DHADRP CCC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422767390 337685663 /nfs/dbraw/zinc/68/56/63/337685663.db2.gz MWOXEROQZDDQST-CPLYBDICSA-N 2 0 322.537 3.728 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784600 337686425 /nfs/dbraw/zinc/68/64/25/337686425.db2.gz PXRGUGFTFMHDNK-LLVKDONJSA-N 2 0 323.362 3.718 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422805582 337687500 /nfs/dbraw/zinc/68/75/00/337687500.db2.gz MDTXLPWVZYNPHA-OUCADQQQSA-N 2 0 300.368 3.744 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422806355 337687509 /nfs/dbraw/zinc/68/75/09/337687509.db2.gz KMMIXODREDRKFB-BZUAXINKSA-N 2 0 308.466 3.558 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422811995 337687603 /nfs/dbraw/zinc/68/76/03/337687603.db2.gz VRUXOCJSIQLAPF-WCIQWLHISA-N 2 0 316.489 3.712 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422815448 337687834 /nfs/dbraw/zinc/68/78/34/337687834.db2.gz BTJRECLWVNHMOW-DUVNUKRYSA-N 2 0 307.507 3.564 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000422826921 337688169 /nfs/dbraw/zinc/68/81/69/337688169.db2.gz RNUYSJIJPNXGOB-DCAQKATOSA-N 2 0 317.296 3.549 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@@H](C)CCC[NH3+])c2)cc1 ZINC000422828546 337688279 /nfs/dbraw/zinc/68/82/79/337688279.db2.gz UBQXVRYDRREHCL-ZDUSSCGKSA-N 2 0 304.459 3.641 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1OC(F)F ZINC000422832602 337688389 /nfs/dbraw/zinc/68/83/89/337688389.db2.gz LDGZEDKIXPIIEP-TZMCWYRMSA-N 2 0 300.393 3.846 20 0 DHADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422838028 337688664 /nfs/dbraw/zinc/68/86/64/337688664.db2.gz NPWPRYZCUZGBMD-IAOVAPTHSA-N 2 0 307.507 3.564 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422854331 337689016 /nfs/dbraw/zinc/68/90/16/337689016.db2.gz UCSRIYYLQAMGBD-OAHLLOKOSA-N 2 0 317.502 3.535 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c(C)c2c1 ZINC000422858187 337689146 /nfs/dbraw/zinc/68/91/46/337689146.db2.gz HZIXJOJKHLUGCY-GXTWGEPZSA-N 2 0 304.434 3.918 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422893810 337690407 /nfs/dbraw/zinc/69/04/07/337690407.db2.gz ATQFIYKDQZEQDM-CQSZACIVSA-N 2 0 317.408 3.620 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422908706 337690915 /nfs/dbraw/zinc/69/09/15/337690915.db2.gz ZAUXHABKHDAOPU-AWEZNQCLSA-N 2 0 317.408 3.620 20 0 DHADRP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422915312 337691111 /nfs/dbraw/zinc/69/11/11/337691111.db2.gz ASULVSQBSMEHCS-HOTGVXAUSA-N 2 0 311.473 3.747 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000422913877 337691119 /nfs/dbraw/zinc/69/11/19/337691119.db2.gz RATISLINRCHPCR-YWZLYKJASA-N 2 0 309.457 3.521 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926452 337691841 /nfs/dbraw/zinc/69/18/41/337691841.db2.gz DAHMXTDKNYLYPT-VAMGGRTRSA-N 2 0 312.501 3.910 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000422933056 337692240 /nfs/dbraw/zinc/69/22/40/337692240.db2.gz DCQUMTFZSPKCPU-VXGBXAGGSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939429 337692471 /nfs/dbraw/zinc/69/24/71/337692471.db2.gz RMDCIIFFEKUCPN-PXNSSMCTSA-N 2 0 324.468 3.710 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1OCC(C)C ZINC000422942406 337692873 /nfs/dbraw/zinc/69/28/73/337692873.db2.gz PSJGCXMPDWOAHZ-LSDHHAIUSA-N 2 0 308.466 3.508 20 0 DHADRP COc1ccc(C2(C[NH2+][C@@H](C)CCC[NH3+])CCCCC2)cc1 ZINC000422903892 337693338 /nfs/dbraw/zinc/69/33/38/337693338.db2.gz PIOUWNRCCALBKG-INIZCTEOSA-N 2 0 304.478 3.614 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422978494 337693450 /nfs/dbraw/zinc/69/34/50/337693450.db2.gz HMJWDYSYZIEIOK-AQNXPRMDSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422956529 337694760 /nfs/dbraw/zinc/69/47/60/337694760.db2.gz PWWJQHJHECTKJF-QMTMVMCOSA-N 2 0 310.441 3.893 20 0 DHADRP COc1ccccc1[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000422956351 337694764 /nfs/dbraw/zinc/69/47/64/337694764.db2.gz KVJDYRJZBQKVIY-UZLBHIALSA-N 2 0 312.457 3.892 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2cccc(C)c2)cc1 ZINC000422967774 337695229 /nfs/dbraw/zinc/69/52/29/337695229.db2.gz PQAYCVIYVOXAOE-HXUWFJFHSA-N 2 0 312.457 3.506 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2cccc(C)c2)cc1 ZINC000422967772 337695234 /nfs/dbraw/zinc/69/52/34/337695234.db2.gz PQAYCVIYVOXAOE-FQEVSTJZSA-N 2 0 312.457 3.506 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423012108 337695518 /nfs/dbraw/zinc/69/55/18/337695518.db2.gz CJXNFIZPBBAREY-ABAIWWIYSA-N 2 0 300.368 3.874 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423012111 337695586 /nfs/dbraw/zinc/69/55/86/337695586.db2.gz CJXNFIZPBBAREY-XHDPSFHLSA-N 2 0 300.368 3.874 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])CCC2 ZINC000423027637 337696184 /nfs/dbraw/zinc/69/61/84/337696184.db2.gz RSDDOMPFJYQLNH-DILOTOHQSA-N 2 0 316.489 3.529 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423054323 337696909 /nfs/dbraw/zinc/69/69/09/337696909.db2.gz UJZKMQKOKUPGJH-LLVKDONJSA-N 2 0 324.266 3.538 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000423060426 337697684 /nfs/dbraw/zinc/69/76/84/337697684.db2.gz IEYNILVUHBWKII-CTNGQTDRSA-N 2 0 324.468 3.684 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423062825 337697850 /nfs/dbraw/zinc/69/78/50/337697850.db2.gz NVOMBZDWYFWJEE-BFVZDQMLSA-N 2 0 317.246 3.755 20 0 DHADRP CSCc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423061071 337697879 /nfs/dbraw/zinc/69/78/79/337697879.db2.gz PYRJMNYUEUFPOA-CYBMUJFWSA-N 2 0 315.486 3.563 20 0 DHADRP Cc1ccc([C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccn2)cc1 ZINC000423089334 337698787 /nfs/dbraw/zinc/69/87/87/337698787.db2.gz UVAZUAQIDIWUPH-NLPFYKDJSA-N 2 0 309.457 3.587 20 0 DHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000423093128 337698910 /nfs/dbraw/zinc/69/89/10/337698910.db2.gz FWOUYTIMSLDEQD-AEEMCCEDSA-N 2 0 316.464 3.972 20 0 DHADRP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423102974 337699647 /nfs/dbraw/zinc/69/96/47/337699647.db2.gz FRULLQZWILWVQV-UJJTZGENSA-N 2 0 306.881 3.952 20 0 DHADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000423104829 337699710 /nfs/dbraw/zinc/69/97/10/337699710.db2.gz QDLWYFGKHCWLEX-JFIYKMOQSA-N 2 0 309.457 3.754 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423105707 337699717 /nfs/dbraw/zinc/69/97/17/337699717.db2.gz ZJSDTNMYZHBOLL-HKUYMTLNSA-N 2 0 316.464 3.972 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423111592 337700037 /nfs/dbraw/zinc/70/00/37/337700037.db2.gz QQNLZRNOLKHCKT-MDZRGWNJSA-N 2 0 304.478 3.555 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000423170256 337702225 /nfs/dbraw/zinc/70/22/25/337702225.db2.gz XPZFOFGDMKHRIE-OWIUFQIYSA-N 2 0 306.881 3.954 20 0 DHADRP CC[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])CC(F)(F)F ZINC000423189466 337703047 /nfs/dbraw/zinc/70/30/47/337703047.db2.gz REMQOXAYSDRBTP-IPYPFGDCSA-N 2 0 302.384 3.513 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000423189777 337703098 /nfs/dbraw/zinc/70/30/98/337703098.db2.gz RONZLNHPTMBURO-BBRMVZONSA-N 2 0 312.379 3.683 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000423214901 337704816 /nfs/dbraw/zinc/70/48/16/337704816.db2.gz LYCGLDMYYXIKST-HKGGGCDWSA-N 2 0 306.416 3.721 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423221085 337705372 /nfs/dbraw/zinc/70/53/72/337705372.db2.gz ZFCHLUWUKYGTEC-DOMZBBRYSA-N 2 0 316.367 3.626 20 0 DHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])s2)cc1 ZINC000423226058 337705831 /nfs/dbraw/zinc/70/58/31/337705831.db2.gz PGTCEUDVVHSQQT-NWDGAFQWSA-N 2 0 319.474 3.515 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423253101 337707523 /nfs/dbraw/zinc/70/75/23/337707523.db2.gz VCNZGNMRNCBITC-LPHOPBHVSA-N 2 0 304.478 3.762 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256548 337707667 /nfs/dbraw/zinc/70/76/67/337707667.db2.gz BYWBPUAKKUYDNJ-KXBFYZLASA-N 2 0 311.473 3.833 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423260057 337707939 /nfs/dbraw/zinc/70/79/39/337707939.db2.gz PHOFJCAEQSJFMY-BBRMVZONSA-N 2 0 308.853 3.533 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423276934 337708947 /nfs/dbraw/zinc/70/89/47/337708947.db2.gz NPSHJMADUSLRDL-IVMMDQJWSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423276933 337708954 /nfs/dbraw/zinc/70/89/54/337708954.db2.gz NPSHJMADUSLRDL-INWMFGNUSA-N 2 0 314.395 3.744 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423284514 337709322 /nfs/dbraw/zinc/70/93/22/337709322.db2.gz YENLTQBZGOYPKF-YDHLFZDLSA-N 2 0 312.404 3.765 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1 ZINC000423289688 337709697 /nfs/dbraw/zinc/70/96/97/337709697.db2.gz BNKBYSVLLNMHTM-UGSOOPFHSA-N 2 0 318.848 3.837 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000423294533 337710509 /nfs/dbraw/zinc/71/05/09/337710509.db2.gz UQXOVDLFKXLJEQ-HOTGVXAUSA-N 2 0 320.440 3.743 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423300672 337711033 /nfs/dbraw/zinc/71/10/33/337711033.db2.gz DUTIHDKDCVDCDD-DYVFJYSZSA-N 2 0 320.383 3.562 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2cccc(Br)c21 ZINC000423329856 337712237 /nfs/dbraw/zinc/71/22/37/337712237.db2.gz BOIMQYYGOPRICY-ABAIWWIYSA-N 2 0 321.262 3.507 20 0 DHADRP CC1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423335366 337712636 /nfs/dbraw/zinc/71/26/36/337712636.db2.gz RTDCDSMGOBQFAO-IBGZPJMESA-N 2 0 312.432 3.894 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423338003 337712691 /nfs/dbraw/zinc/71/26/91/337712691.db2.gz AQLRWCJZXXVUKG-AEFFLSMTSA-N 2 0 304.865 3.876 20 0 DHADRP CC1(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423338811 337712796 /nfs/dbraw/zinc/71/27/96/337712796.db2.gz UYSQIHUDXONQEI-RDJZCZTQSA-N 2 0 306.881 3.955 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1=CC[NH2+]CC1 ZINC000423343511 337713093 /nfs/dbraw/zinc/71/30/93/337713093.db2.gz LXPMIWIYIHIECW-HNNXBMFYSA-N 2 0 313.272 3.824 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000423343705 337713152 /nfs/dbraw/zinc/71/31/52/337713152.db2.gz XDBFTPYFERHUIQ-IYXRBSQSSA-N 2 0 306.416 3.723 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1F ZINC000423359985 337714295 /nfs/dbraw/zinc/71/42/95/337714295.db2.gz DYJSNSMAFRHTKD-DLOVCJGASA-N 2 0 315.230 3.509 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000423398451 337715597 /nfs/dbraw/zinc/71/55/97/337715597.db2.gz OYQUVDGJIUUISH-MBOZVWFJSA-N 2 0 308.469 3.795 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423406511 337715881 /nfs/dbraw/zinc/71/58/81/337715881.db2.gz YUSCVCOKHHLEJT-HXUWFJFHSA-N 2 0 322.452 3.910 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000423405704 337716010 /nfs/dbraw/zinc/71/60/10/337716010.db2.gz YIPYQOBWHGSERI-MVWJERBFSA-N 2 0 318.795 3.862 20 0 DHADRP COc1cc(OC)c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000423424542 337716964 /nfs/dbraw/zinc/71/69/64/337716964.db2.gz FUTZBSSOQZUWPF-VXGBXAGGSA-N 2 0 314.857 3.525 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423428768 337717170 /nfs/dbraw/zinc/71/71/70/337717170.db2.gz GTIDKGPKKYDACY-OTWHNJEPSA-N 2 0 318.530 3.781 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OC(F)F)cc1 ZINC000423427998 337717182 /nfs/dbraw/zinc/71/71/82/337717182.db2.gz RBCHTGVKXOHWLO-IHRRRGAJSA-N 2 0 312.404 3.704 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423377540 337717385 /nfs/dbraw/zinc/71/73/85/337717385.db2.gz YXCBPKXKASRBTE-CZUORRHYSA-N 2 0 315.486 3.911 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000423380346 337717503 /nfs/dbraw/zinc/71/75/03/337717503.db2.gz YLBPZMLVDCAUDV-HBNTYKKESA-N 2 0 317.296 3.740 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423384346 337717887 /nfs/dbraw/zinc/71/78/87/337717887.db2.gz KYOSAYFRGWIEDA-HUUCEWRRSA-N 2 0 310.441 3.580 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000423394349 337718592 /nfs/dbraw/zinc/71/85/92/337718592.db2.gz RHWSDQWIEJACEX-TUAOUCFPSA-N 2 0 302.340 3.506 20 0 DHADRP CCSc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423444172 337719480 /nfs/dbraw/zinc/71/94/80/337719480.db2.gz QYFBUMWWSPURMG-JEBQAFNWSA-N 2 0 304.503 3.837 20 0 DHADRP CSC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423453854 337720306 /nfs/dbraw/zinc/72/03/06/337720306.db2.gz KZFVCFNYKGHDSR-FZMZJTMJSA-N 2 0 320.424 3.827 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423455919 337720409 /nfs/dbraw/zinc/72/04/09/337720409.db2.gz GDKGFAHRYASJNC-JZXOWHBKSA-N 2 0 304.478 3.890 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000423459304 337720457 /nfs/dbraw/zinc/72/04/57/337720457.db2.gz LJFZZGLTBABIAA-YNEHKIRRSA-N 2 0 300.368 3.874 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000423457919 337720501 /nfs/dbraw/zinc/72/05/01/337720501.db2.gz JCWWXDARVQVJBE-AXFHLTTASA-N 2 0 317.296 3.679 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423459508 337720506 /nfs/dbraw/zinc/72/05/06/337720506.db2.gz RSRWJWGNGXUIIZ-NRKLIOEPSA-N 2 0 324.390 3.539 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423471408 337721271 /nfs/dbraw/zinc/72/12/71/337721271.db2.gz FECPEKHWPWUDJK-IUODEOHRSA-N 2 0 311.267 3.632 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423483795 337722029 /nfs/dbraw/zinc/72/20/29/337722029.db2.gz ZQLJQKHJRZXFCK-IYOUNJFTSA-N 2 0 302.462 3.525 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423492486 337722680 /nfs/dbraw/zinc/72/26/80/337722680.db2.gz NFTSEXGMPIXVDT-YQGXSICGSA-N 2 0 316.489 3.680 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423495492 337722905 /nfs/dbraw/zinc/72/29/05/337722905.db2.gz FPMSQVUZFHWOAY-DSKINZAPSA-N 2 0 324.468 3.696 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423499841 337723306 /nfs/dbraw/zinc/72/33/06/337723306.db2.gz BFLQFFZAQKYHGI-YLJYHZDGSA-N 2 0 311.473 3.863 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000423512865 337724006 /nfs/dbraw/zinc/72/40/06/337724006.db2.gz RCBMGZKCLNFKEK-GUTXKFCHSA-N 2 0 310.869 3.905 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)oc21 ZINC000423524821 337724556 /nfs/dbraw/zinc/72/45/56/337724556.db2.gz ZZOHYYCSMWTMOG-GZBFAFLISA-N 2 0 302.418 3.610 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)oc21 ZINC000423481923 337724967 /nfs/dbraw/zinc/72/49/67/337724967.db2.gz XCKQGPTYZGYCRX-OFQRWUPVSA-N 2 0 316.445 4.000 20 0 DHADRP Fc1ccccc1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1CCCC1 ZINC000423537118 337724980 /nfs/dbraw/zinc/72/49/80/337724980.db2.gz JEKFQKMGVUVLKJ-IBGZPJMESA-N 2 0 302.437 3.956 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1F ZINC000423537440 337725037 /nfs/dbraw/zinc/72/50/37/337725037.db2.gz DADXJQXMIFARJD-VLXAULBPSA-N 2 0 310.844 3.908 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](c2ccccc2)C1 ZINC000423543587 337725290 /nfs/dbraw/zinc/72/52/90/337725290.db2.gz NIIMDZHXKADBCG-IFYAIALXSA-N 2 0 312.501 3.937 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000423544705 337725327 /nfs/dbraw/zinc/72/53/27/337725327.db2.gz IVQFVUXSWVJZFZ-LLLOQXOTSA-N 2 0 318.892 3.954 20 0 DHADRP Clc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000423549130 337725392 /nfs/dbraw/zinc/72/53/92/337725392.db2.gz RWIXFBKOOUWUOX-CYGHRXIMSA-N 2 0 304.865 3.769 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423549086 337725424 /nfs/dbraw/zinc/72/54/24/337725424.db2.gz HHAAAQLYCGOCHV-ZDUSSCGKSA-N 2 0 314.395 3.758 20 0 DHADRP CCSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423552458 337725488 /nfs/dbraw/zinc/72/54/88/337725488.db2.gz UYZXMBYJQPOVOS-PQEBFOHHSA-N 2 0 304.503 3.837 20 0 DHADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423554598 337725491 /nfs/dbraw/zinc/72/54/91/337725491.db2.gz WXVRUEPEPRBACO-LUYSREMJSA-N 2 0 312.501 3.766 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000536847251 337744051 /nfs/dbraw/zinc/74/40/51/337744051.db2.gz VJGWUYZLQJYKDA-BHIYHBOVSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000044515881 337810118 /nfs/dbraw/zinc/81/01/18/337810118.db2.gz HAVDDRFLTOZCTO-LBPRGKRZSA-N 2 0 300.368 3.698 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC000424265707 337813498 /nfs/dbraw/zinc/81/34/98/337813498.db2.gz KGPVISSBYWVRFH-UTBUEMAESA-N 2 0 322.537 3.680 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000424373336 337827842 /nfs/dbraw/zinc/82/78/42/337827842.db2.gz XQRPXQJSTBYDMH-NILFDRSVSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000429432270 338080841 /nfs/dbraw/zinc/08/08/41/338080841.db2.gz UKEAUMIYLKYJLW-CRAIPNDOSA-N 2 0 302.462 3.610 20 0 DHADRP COC1(C[C@H](C)[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)CCC1 ZINC000429525177 338083025 /nfs/dbraw/zinc/08/30/25/338083025.db2.gz AKDVQHVGQOVDHK-SCTDSRPQSA-N 2 0 316.489 3.759 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OC ZINC000430157968 338099509 /nfs/dbraw/zinc/09/95/09/338099509.db2.gz SJPJSRBDMJYVQP-AEFFLSMTSA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH2+]CC1CC[NH+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000430584540 338109333 /nfs/dbraw/zinc/10/93/33/338109333.db2.gz OWRFHFPTNFYXSI-OAHLLOKOSA-N 2 0 313.445 3.724 20 0 DHADRP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(OC2CCCC2)c1 ZINC000430950592 338119342 /nfs/dbraw/zinc/11/93/42/338119342.db2.gz IFUFTBOPTNUAAN-UHFFFAOYSA-N 2 0 314.473 3.584 20 0 DHADRP C[C@@H](c1ccccc1Br)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431036426 338120962 /nfs/dbraw/zinc/12/09/62/338120962.db2.gz WIQZXFVXBKWCIG-ZDUSSCGKSA-N 2 0 323.278 3.586 20 0 DHADRP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432408364 338155096 /nfs/dbraw/zinc/15/50/96/338155096.db2.gz BHEYZMKXDLZDIB-QUCCMNQESA-N 2 0 318.505 3.864 20 0 DHADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C)cc1 ZINC000432408043 338155129 /nfs/dbraw/zinc/15/51/29/338155129.db2.gz RLNFUUYHWHKABF-MJGOQNOKSA-N 2 0 304.478 3.537 20 0 DHADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432412670 338155443 /nfs/dbraw/zinc/15/54/43/338155443.db2.gz CTPMJUHEMLNCAT-MJGOQNOKSA-N 2 0 304.478 3.618 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432426515 338156223 /nfs/dbraw/zinc/15/62/23/338156223.db2.gz RWVOLQSJTYXZCC-ROUUACIJSA-N 2 0 318.505 3.962 20 0 DHADRP C[NH+]1CCC2(CCCN2Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432919283 338173165 /nfs/dbraw/zinc/17/31/65/338173165.db2.gz QRHOJMDRFRTSKV-UHFFFAOYSA-N 2 0 318.408 3.827 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CCC2)cc1C ZINC000433080498 338180788 /nfs/dbraw/zinc/18/07/88/338180788.db2.gz CQEQQEDJQMNEIK-MJGOQNOKSA-N 2 0 300.490 3.655 20 0 DHADRP COc1cc(-c2ccccc2)ccc1CN(C)C1CC[NH2+]CC1 ZINC000435372554 338238245 /nfs/dbraw/zinc/23/82/45/338238245.db2.gz RWSQMIMEDNFHHJ-UHFFFAOYSA-N 2 0 310.441 3.546 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000435381866 338238412 /nfs/dbraw/zinc/23/84/12/338238412.db2.gz YJUIYQHVPLTWLE-SXLOBPIMSA-N 2 0 322.452 3.531 20 0 DHADRP c1ccc(CCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435619457 338243733 /nfs/dbraw/zinc/24/37/33/338243733.db2.gz USEFAEOHPRAYMM-OAQYLSRUSA-N 2 0 323.484 3.659 20 0 DHADRP CCC(C)(C)CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698259 338245633 /nfs/dbraw/zinc/24/56/33/338245633.db2.gz VXUPTYBYMXQEKG-OAHLLOKOSA-N 2 0 321.534 3.914 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000435746071 338247719 /nfs/dbraw/zinc/24/77/19/338247719.db2.gz SWJWURHCTLWQQF-YTQUADARSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436269757 338264606 /nfs/dbraw/zinc/26/46/06/338264606.db2.gz MALKQNBTDOSBFI-OAHLLOKOSA-N 2 0 317.452 3.909 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436274359 338264944 /nfs/dbraw/zinc/26/49/44/338264944.db2.gz LQEDCKDFPCVFKJ-CQSZACIVSA-N 2 0 305.441 3.907 20 0 DHADRP CCCC[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436276025 338265123 /nfs/dbraw/zinc/26/51/23/338265123.db2.gz RCODLCQLFDMOID-UHFFFAOYSA-N 2 0 303.425 3.661 20 0 DHADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000436300430 338267474 /nfs/dbraw/zinc/26/74/74/338267474.db2.gz UXRZZGLJGMSHKV-RTBURBONSA-N 2 0 310.526 3.823 20 0 DHADRP COCCC1(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)CCCCC1 ZINC000436422139 338272221 /nfs/dbraw/zinc/27/22/21/338272221.db2.gz YORBWYMOFLEGLO-GOSISDBHSA-N 2 0 310.526 3.828 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437756021 338320154 /nfs/dbraw/zinc/32/01/54/338320154.db2.gz FTFAQVWFIVOUMS-HOJAQTOUSA-N 2 0 300.490 3.818 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000437772914 338320819 /nfs/dbraw/zinc/32/08/19/338320819.db2.gz IVFOABSUHKKYCW-LJQANCHMSA-N 2 0 318.505 3.803 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+]C1CCC([NH3+])CC1 ZINC000437775181 338320886 /nfs/dbraw/zinc/32/08/86/338320886.db2.gz MODXILZDVHZRML-UHFFFAOYSA-N 2 0 312.457 3.987 20 0 DHADRP C[NH+](C)CC1(C[NH2+]CCCCOc2ccccc2)CCCC1 ZINC000437984595 338327362 /nfs/dbraw/zinc/32/73/62/338327362.db2.gz GBSARRWCKAVCMD-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000156050184 338329837 /nfs/dbraw/zinc/32/98/37/338329837.db2.gz AAQHPZVNNVJNOM-UTKZUKDTSA-N 2 0 308.469 3.748 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000438100039 338331526 /nfs/dbraw/zinc/33/15/26/338331526.db2.gz YHYVESADGKAGOO-VQIMIIECSA-N 2 0 304.453 3.880 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438221793 338337140 /nfs/dbraw/zinc/33/71/40/338337140.db2.gz XRUWOOLKEJNXAY-MISYRCLQSA-N 2 0 300.490 3.818 20 0 DHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000439010940 338358402 /nfs/dbraw/zinc/35/84/02/338358402.db2.gz ZFUISIBBXHPHTD-RTBURBONSA-N 2 0 323.569 3.599 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000440698810 338395416 /nfs/dbraw/zinc/39/54/16/338395416.db2.gz WWXYNNTWCOWFEY-YOEHRIQHSA-N 2 0 310.482 3.580 20 0 DHADRP CC[C@@H](F)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440793823 338397774 /nfs/dbraw/zinc/39/77/74/338397774.db2.gz ATZQJVXPVNEXOF-RTBURBONSA-N 2 0 304.453 3.723 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000446834271 338537463 /nfs/dbraw/zinc/53/74/63/338537463.db2.gz GMIRBNRZUHPBJG-HXUWFJFHSA-N 2 0 318.505 3.549 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(C)ccc1OC ZINC000447570837 338557778 /nfs/dbraw/zinc/55/77/78/338557778.db2.gz WBFYPXMEVPMFOC-IBGZPJMESA-N 2 0 316.489 3.919 20 0 DHADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(-c2ccccc2)c1 ZINC000447593330 338560520 /nfs/dbraw/zinc/56/05/20/338560520.db2.gz RDJOUGUPUSTFKA-KRWDZBQOSA-N 2 0 312.457 3.582 20 0 DHADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000449069050 338590248 /nfs/dbraw/zinc/59/02/48/338590248.db2.gz VOKIGMHRGREYSF-MAUKXSAKSA-N 2 0 304.503 3.514 20 0 DHADRP C[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322965 338612811 /nfs/dbraw/zinc/61/28/11/338612811.db2.gz QUOICMBZVUYDPG-IRXDYDNUSA-N 2 0 324.553 3.928 20 0 DHADRP Cc1cccnc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449489003 338630147 /nfs/dbraw/zinc/63/01/47/338630147.db2.gz NHORMIMHLNSRHQ-YLJYHZDGSA-N 2 0 315.505 3.565 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000459361260 339024551 /nfs/dbraw/zinc/02/45/51/339024551.db2.gz FKRKISVHWGVYMX-DOTOQJQBSA-N 2 0 312.448 3.761 20 0 DHADRP C[C@H](NC1CC[NH+](C2CC2)CC1)c1nc(C(C)(C)C)cs1 ZINC000459410315 339027710 /nfs/dbraw/zinc/02/77/10/339027710.db2.gz PDEQEAFLRNXZEV-LBPRGKRZSA-N 2 0 307.507 3.718 20 0 DHADRP Cc1ccc(C[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000459414827 339027983 /nfs/dbraw/zinc/02/79/83/339027983.db2.gz OTTLMOUIDHKOAQ-GOSISDBHSA-N 2 0 323.484 3.888 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000459420928 339028150 /nfs/dbraw/zinc/02/81/50/339028150.db2.gz LMRSFIUISGVXGX-HNNXBMFYSA-N 2 0 313.445 3.563 20 0 DHADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459434226 339029046 /nfs/dbraw/zinc/02/90/46/339029046.db2.gz HKHNJVVHBWITLG-CRAIPNDOSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1ccc(CCC[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cn1 ZINC000459620867 339038904 /nfs/dbraw/zinc/03/89/04/339038904.db2.gz ARSOMFSKJRFUKH-UHFFFAOYSA-N 2 0 316.395 3.775 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459658353 339041103 /nfs/dbraw/zinc/04/11/03/339041103.db2.gz KHNSMUGHPVMHRO-CXUHLZMHSA-N 2 0 321.424 3.674 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000459662850 339041410 /nfs/dbraw/zinc/04/14/10/339041410.db2.gz BNORFLXEQWQRFH-CZUORRHYSA-N 2 0 310.844 3.799 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459666335 339041687 /nfs/dbraw/zinc/04/16/87/339041687.db2.gz LUHMEDRMZIJRIG-OQMKEHIESA-N 2 0 308.828 3.551 20 0 DHADRP COC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000459667627 339041727 /nfs/dbraw/zinc/04/17/27/339041727.db2.gz BGHMRFDYGLMLJQ-JVDULTGUSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000459734272 339045139 /nfs/dbraw/zinc/04/51/39/339045139.db2.gz OJROWNBYRCMLNU-CYBMUJFWSA-N 2 0 321.515 3.693 20 0 DHADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000459746111 339045878 /nfs/dbraw/zinc/04/58/78/339045878.db2.gz UNDUGKAXSNAJQZ-SJORKVTESA-N 2 0 310.526 3.823 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459795396 339049010 /nfs/dbraw/zinc/04/90/10/339049010.db2.gz VFIIUPXWVIKTGA-BRWVUGGUSA-N 2 0 304.478 3.509 20 0 DHADRP CC1(C)CN(C2(C[NH2+]C3CCCCC3)CCCCC2)CCO1 ZINC000462749474 339086766 /nfs/dbraw/zinc/08/67/66/339086766.db2.gz IRLBAWJUJHEEDW-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP C[N@H+](CCOc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464842753 339156880 /nfs/dbraw/zinc/15/68/80/339156880.db2.gz LHLZNLACCIXVEK-HXUWFJFHSA-N 2 0 324.468 3.519 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C(C)C ZINC000466345351 339200020 /nfs/dbraw/zinc/20/00/20/339200020.db2.gz FASLOUVQRVNBCN-CEXWTWQISA-N 2 0 310.526 3.680 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000467197181 339227955 /nfs/dbraw/zinc/22/79/55/339227955.db2.gz NPDPSUPKDRIOTD-IBGZPJMESA-N 2 0 322.537 3.922 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000467359606 339233956 /nfs/dbraw/zinc/23/39/56/339233956.db2.gz OPJSOHRFGYDENN-SFHVURJKSA-N 2 0 320.452 3.533 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000467372110 339234991 /nfs/dbraw/zinc/23/49/91/339234991.db2.gz ZIQSUUPFGCMJRZ-UHOSZYNNSA-N 2 0 315.505 3.738 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000468355562 339260439 /nfs/dbraw/zinc/26/04/39/339260439.db2.gz HLZVCDZRSPGTNW-RDBSUJKOSA-N 2 0 312.910 3.939 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)[C@@H](C)C1 ZINC000468934224 339275115 /nfs/dbraw/zinc/27/51/15/339275115.db2.gz KIVVSZFDUAEHCS-LPHOPBHVSA-N 2 0 318.480 3.957 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000468961513 339276008 /nfs/dbraw/zinc/27/60/08/339276008.db2.gz MDRNEEORLWOQRE-YOEHRIQHSA-N 2 0 308.897 3.938 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000469004279 339277343 /nfs/dbraw/zinc/27/73/43/339277343.db2.gz LXCBVPATZLTHBD-LRDDRELGSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000469165107 339281878 /nfs/dbraw/zinc/28/18/78/339281878.db2.gz XEVSXBZITXSACV-CHWSQXEVSA-N 2 0 318.383 3.619 20 0 DHADRP CC[N@@H+]1CC[C@@H](NCc2ccc(C)cc2OC(C)(C)C)[C@H](C)C1 ZINC000469179362 339282161 /nfs/dbraw/zinc/28/21/61/339282161.db2.gz UDGDKACXZMBGPT-SJLPKXTDSA-N 2 0 318.505 3.992 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000469355059 339286810 /nfs/dbraw/zinc/28/68/10/339286810.db2.gz QXPLJZSTEBZTKS-LJQANCHMSA-N 2 0 302.506 3.965 20 0 DHADRP C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000469806764 339301365 /nfs/dbraw/zinc/30/13/65/339301365.db2.gz LEWNRQOBUJFWKU-HOTGVXAUSA-N 2 0 304.478 3.856 20 0 DHADRP CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000469977256 339306438 /nfs/dbraw/zinc/30/64/38/339306438.db2.gz RBQVBXGWXGCMTR-LBPRGKRZSA-N 2 0 315.288 3.904 20 0 DHADRP CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000469977255 339306510 /nfs/dbraw/zinc/30/65/10/339306510.db2.gz RBQVBXGWXGCMTR-GFCCVEGCSA-N 2 0 315.288 3.904 20 0 DHADRP C[NH2+]C[C@@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000469990901 339307174 /nfs/dbraw/zinc/30/71/74/339307174.db2.gz HWZJFPNBUOWJLR-IBGZPJMESA-N 2 0 324.468 3.697 20 0 DHADRP C[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000470364308 339318258 /nfs/dbraw/zinc/31/82/58/339318258.db2.gz UOISKKYJZQKLSQ-HOTGVXAUSA-N 2 0 324.896 3.534 20 0 DHADRP C[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470992245 339333915 /nfs/dbraw/zinc/33/39/15/339333915.db2.gz HMQCIQVPDBPYOL-DZFGPLHGSA-N 2 0 306.453 3.811 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000472265711 339368275 /nfs/dbraw/zinc/36/82/75/339368275.db2.gz YTHMALQCEQQUOH-CVEARBPZSA-N 2 0 324.896 3.834 20 0 DHADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472288989 339369022 /nfs/dbraw/zinc/36/90/22/339369022.db2.gz XKEFULWOQMXODD-RBUKOAKNSA-N 2 0 304.478 3.570 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000472562044 339374029 /nfs/dbraw/zinc/37/40/29/339374029.db2.gz GOEJUCOZPPNHBJ-IEBWSBKVSA-N 2 0 304.453 3.565 20 0 DHADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1c1ccccc1 ZINC000472587514 339374367 /nfs/dbraw/zinc/37/43/67/339374367.db2.gz YAKZLFWRMTUBOM-RLLQIKCJSA-N 2 0 300.490 3.986 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000472596194 339374808 /nfs/dbraw/zinc/37/48/08/339374808.db2.gz HQRRDZXTNMOBBC-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP COCc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000473921359 339395095 /nfs/dbraw/zinc/39/50/95/339395095.db2.gz RGUCWVVNPPPCIN-UHFFFAOYSA-N 2 0 316.489 3.720 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000474796800 339426381 /nfs/dbraw/zinc/42/63/81/339426381.db2.gz BWRDHTDLKQQFIY-WOJBJXKFSA-N 2 0 317.521 3.813 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000482227874 339626642 /nfs/dbraw/zinc/62/66/42/339626642.db2.gz AJMFPVJVDBUTMI-INIZCTEOSA-N 2 0 304.478 3.880 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000486931589 339738658 /nfs/dbraw/zinc/73/86/58/339738658.db2.gz UCBIQQAPKBISAF-IBGZPJMESA-N 2 0 318.530 3.761 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CS1 ZINC000488408522 339780268 /nfs/dbraw/zinc/78/02/68/339780268.db2.gz PMLYRNFAEMOQFN-RTBURBONSA-N 2 0 318.530 3.902 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000494906847 339964218 /nfs/dbraw/zinc/96/42/18/339964218.db2.gz FSZDIKVSOIPJNC-RZQQEMMASA-N 2 0 316.489 3.541 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCSC2CCCCC2)C1 ZINC000500126178 340050747 /nfs/dbraw/zinc/05/07/47/340050747.db2.gz SIJKNMRXTAIYOM-QGZVFWFLSA-N 2 0 310.551 3.716 20 0 DHADRP C[N@H+](CCNc1cc[nH+]c2cc(F)ccc12)Cc1ccccc1 ZINC000500483236 340060338 /nfs/dbraw/zinc/06/03/38/340060338.db2.gz CQYNQXPUDUEKPX-UHFFFAOYSA-N 2 0 309.388 3.918 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000502480983 340105563 /nfs/dbraw/zinc/10/55/63/340105563.db2.gz JOBAOSBEHSATKZ-RTBURBONSA-N 2 0 310.526 3.539 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000502480135 340105599 /nfs/dbraw/zinc/10/55/99/340105599.db2.gz GKNWDFFQOJKZES-OKYOBFRVSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCOC)cc1 ZINC000502684207 340110260 /nfs/dbraw/zinc/11/02/60/340110260.db2.gz AKYLGBPHJYEULA-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCOC)[NH+]1CCCC1 ZINC000502686639 340110347 /nfs/dbraw/zinc/11/03/47/340110347.db2.gz KOWKUZFIGQLCMT-OTWHNJEPSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000502696750 340111130 /nfs/dbraw/zinc/11/11/30/340111130.db2.gz FREDLYKODNRUQW-PXNSSMCTSA-N 2 0 318.505 3.823 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)ccc1F ZINC000503035594 340119287 /nfs/dbraw/zinc/11/92/87/340119287.db2.gz OGNUDFDFHXFKTD-IEBWSBKVSA-N 2 0 312.432 3.781 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)CCO1 ZINC000503556101 340130224 /nfs/dbraw/zinc/13/02/24/340130224.db2.gz BGITWCLDPQEEIK-FCGDIQPGSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H]1C[C@@H](C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000503573400 340131218 /nfs/dbraw/zinc/13/12/18/340131218.db2.gz KKQGCWFGRRTCCJ-ICSRJNTNSA-N 2 0 318.505 3.822 20 0 DHADRP CC[C@H]1C[C@H](C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000503573401 340131267 /nfs/dbraw/zinc/13/12/67/340131267.db2.gz KKQGCWFGRRTCCJ-QUCCMNQESA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000401039816 340161034 /nfs/dbraw/zinc/16/10/34/340161034.db2.gz DEMLPBJNBMRSFB-YYWXWVFPSA-N 2 0 312.379 3.744 20 0 DHADRP c1csc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CCCC2)c1 ZINC000401071345 340162132 /nfs/dbraw/zinc/16/21/32/340162132.db2.gz AUSKHGRKMFUBIJ-LISAXSMJSA-N 2 0 304.503 3.957 20 0 DHADRP CCCN(C)[C@H](C[NH2+][C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609175 340197557 /nfs/dbraw/zinc/19/75/57/340197557.db2.gz BSSWUKYIUAPMSC-RHSMWYFYSA-N 2 0 312.885 3.738 20 0 DHADRP COCc1ccccc1/C=C(/C)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000507370879 340218298 /nfs/dbraw/zinc/21/82/98/340218298.db2.gz XNVWVPPNUZJEFY-XUDLPTGHSA-N 2 0 316.489 3.510 20 0 DHADRP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCOC1 ZINC000507505270 340223047 /nfs/dbraw/zinc/22/30/47/340223047.db2.gz CWWSUBFMXWKZQS-MSOLQXFVSA-N 2 0 308.510 3.580 20 0 DHADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CCO1 ZINC000507808846 340232480 /nfs/dbraw/zinc/23/24/80/340232480.db2.gz WVEZRSLTVCKOPQ-MTQWCTHYSA-N 2 0 322.537 3.778 20 0 DHADRP CC(C)C1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508722169 340251490 /nfs/dbraw/zinc/25/14/90/340251490.db2.gz RGYOKKDUMSQDDQ-IEBWSBKVSA-N 2 0 300.490 3.923 20 0 DHADRP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000086585636 340253875 /nfs/dbraw/zinc/25/38/75/340253875.db2.gz WNVXIYNRPKALQF-AWEZNQCLSA-N 2 0 310.869 3.560 20 0 DHADRP CC[N@H+](C)C[C@@H]1CCN(C/C(C)=C/c2ccccc2COC)C1 ZINC000508860982 340254482 /nfs/dbraw/zinc/25/44/82/340254482.db2.gz TWATZLLBWBKTQA-WQJNHMDYSA-N 2 0 316.489 3.510 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510660750 340305554 /nfs/dbraw/zinc/30/55/54/340305554.db2.gz ZVONWDUCSKYZJU-AWEZNQCLSA-N 2 0 310.432 3.750 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000511503103 340328993 /nfs/dbraw/zinc/32/89/93/340328993.db2.gz FYOUZKJDCRAKJT-KRWDZBQOSA-N 2 0 318.505 3.671 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000173549973 340367366 /nfs/dbraw/zinc/36/73/66/340367366.db2.gz TYRYNGXESVAHGU-UHFFFAOYSA-N 2 0 309.885 3.679 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513359620 340403626 /nfs/dbraw/zinc/40/36/26/340403626.db2.gz OEYWGLFXWKCLLZ-QGZVFWFLSA-N 2 0 308.416 3.664 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC([NH+]2CCCC2)CC1 ZINC000185276084 340499670 /nfs/dbraw/zinc/49/96/70/340499670.db2.gz HUGFJTXVCURIHH-UHFFFAOYSA-N 2 0 309.457 3.916 20 0 DHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000191570333 340555818 /nfs/dbraw/zinc/55/58/18/340555818.db2.gz UUAMPLAPNJPBSW-OALUTQOASA-N 2 0 323.569 3.597 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530215716 340782804 /nfs/dbraw/zinc/78/28/04/340782804.db2.gz IEXZZWRACWVYIG-IRXDYDNUSA-N 2 0 304.865 3.535 20 0 DHADRP C[C@H]1C[C@H](C[NH2+]C(C)(C)c2nc3ccccc3s2)CC[NH2+]1 ZINC000530242205 340783451 /nfs/dbraw/zinc/78/34/51/340783451.db2.gz LSCSGABIYFESPT-QWHCGFSZSA-N 2 0 303.475 3.509 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000540087042 340914803 /nfs/dbraw/zinc/91/48/03/340914803.db2.gz UHNLQOHKTREGOV-LNLFQRSKSA-N 2 0 303.494 3.941 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069381309 340956833 /nfs/dbraw/zinc/95/68/33/340956833.db2.gz JHKGCOVKEFJMOA-DZGCQCFKSA-N 2 0 306.416 3.962 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000543092856 341031584 /nfs/dbraw/zinc/03/15/84/341031584.db2.gz GKZLOZKCCRXHPD-INIZCTEOSA-N 2 0 324.534 3.502 20 0 DHADRP Cc1ccc(CCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000543205945 341036718 /nfs/dbraw/zinc/03/67/18/341036718.db2.gz FBEQNWILRGFUAS-UHFFFAOYSA-N 2 0 302.506 3.980 20 0 DHADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)Cc1ccccc1 ZINC000543447391 341045236 /nfs/dbraw/zinc/04/52/36/341045236.db2.gz HPLBQQGLRZCWCT-MOPGFXCFSA-N 2 0 302.506 3.967 20 0 DHADRP C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511040 341048061 /nfs/dbraw/zinc/04/80/61/341048061.db2.gz CBUXVMQEIMRLSD-UONOGXRCSA-N 2 0 309.523 3.966 20 0 DHADRP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000544115936 341070918 /nfs/dbraw/zinc/07/09/18/341070918.db2.gz COHCSDSDRGUNII-SUMDDJOVSA-N 2 0 302.462 3.562 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000544347494 341077143 /nfs/dbraw/zinc/07/71/43/341077143.db2.gz XVXDIAGRYUGVCN-YSSFQJQWSA-N 2 0 324.472 3.976 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCCCC1 ZINC000544379547 341079177 /nfs/dbraw/zinc/07/91/77/341079177.db2.gz PCERJTWOYAJROS-KZNAEPCWSA-N 2 0 310.526 3.824 20 0 DHADRP C[N@H+]1CC=C(CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000544847577 341096230 /nfs/dbraw/zinc/09/62/30/341096230.db2.gz JQJHMYZJSINZEJ-UHFFFAOYSA-N 2 0 321.346 3.927 20 0 DHADRP C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCCC1 ZINC000564298462 341151108 /nfs/dbraw/zinc/15/11/08/341151108.db2.gz KYICOEPCWIORKS-ICXUMSERSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H]1CCCCC[NH+]1CC1(C[N@H+]2CCCCC[C@@H]2C)COC1 ZINC000547623643 341223538 /nfs/dbraw/zinc/22/35/38/341223538.db2.gz UGTMDBSPCZUTTP-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000079461127 341259349 /nfs/dbraw/zinc/25/93/49/341259349.db2.gz PUJZAKPODMVTLR-VQIMIIECSA-N 2 0 304.478 3.636 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413291 341293946 /nfs/dbraw/zinc/29/39/46/341293946.db2.gz KPGNEOHERSKUQV-QAPCUYQASA-N 2 0 308.416 3.571 20 0 DHADRP C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245437951 341294049 /nfs/dbraw/zinc/29/40/49/341294049.db2.gz FCWKGMRJZAZUKO-GJZGRUSLSA-N 2 0 308.416 3.834 20 0 DHADRP CC(C)(C)c1ncc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000550266046 341313944 /nfs/dbraw/zinc/31/39/44/341313944.db2.gz NIYPVYRHMQUOEH-UHFFFAOYSA-N 2 0 309.523 3.796 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCCC23CCCC3)C[C@@H](C)O1 ZINC000550629083 341319966 /nfs/dbraw/zinc/31/99/66/341319966.db2.gz OJLOHALSBDDEKS-GUDVDZBRSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2ccccc2)C2CC2)C[C@H](C)O1 ZINC000245982437 341320923 /nfs/dbraw/zinc/32/09/23/341320923.db2.gz GZJSAOINMRYRAC-FUHIMQAGSA-N 2 0 316.489 3.617 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000550823714 341323671 /nfs/dbraw/zinc/32/36/71/341323671.db2.gz VUWYZSRXAITMOF-MISYRCLQSA-N 2 0 317.521 3.532 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000550829063 341323761 /nfs/dbraw/zinc/32/37/61/341323761.db2.gz RMZGZXOEAGFABQ-RXABAKJHSA-N 2 0 302.437 3.534 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c(OC)c1 ZINC000550882998 341325511 /nfs/dbraw/zinc/32/55/11/341325511.db2.gz VNFQVFQQPLNSAX-MRXNPFEDSA-N 2 0 320.477 3.621 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000246121137 341327753 /nfs/dbraw/zinc/32/77/53/341327753.db2.gz KJKKJISZJCSVKO-IAGOWNOFSA-N 2 0 303.494 3.524 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000551029457 341329500 /nfs/dbraw/zinc/32/95/00/341329500.db2.gz FBMCEYZEGHRCLN-CQSZACIVSA-N 2 0 300.421 3.971 20 0 DHADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@H]3C=CCCCCC3)CC2)C[C@@H](C)O1 ZINC000551063009 341330659 /nfs/dbraw/zinc/33/06/59/341330659.db2.gz HKFYVNZSHOBVNJ-GGPKGHCWSA-N 2 0 320.521 3.697 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246309841 341341599 /nfs/dbraw/zinc/34/15/99/341341599.db2.gz DDVHRSJTDKODQM-OLZOCXBDSA-N 2 0 300.368 3.650 20 0 DHADRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000551543076 341344927 /nfs/dbraw/zinc/34/49/27/341344927.db2.gz QXOMBXUGSPMSQB-HOTGVXAUSA-N 2 0 314.395 3.883 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)CC2 ZINC000246449116 341349108 /nfs/dbraw/zinc/34/91/08/341349108.db2.gz PBXWAHDAVOCZSF-UZLBHIALSA-N 2 0 316.489 3.640 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC000246561415 341353731 /nfs/dbraw/zinc/35/37/31/341353731.db2.gz XDHVZVHODUJLCG-HZPDHXFCSA-N 2 0 322.468 3.853 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247014247 341359848 /nfs/dbraw/zinc/35/98/48/341359848.db2.gz LJMNHFRCMSUMSH-SOUVJXGZSA-N 2 0 317.502 3.720 20 0 DHADRP COCCC[C@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247089857 341361022 /nfs/dbraw/zinc/36/10/22/341361022.db2.gz NXDIIFIBAKGCCO-HLNWXESRSA-N 2 0 318.505 3.548 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000552047353 341364834 /nfs/dbraw/zinc/36/48/34/341364834.db2.gz JKCZNYSPBJEJFU-ACBHZAAOSA-N 2 0 306.469 3.855 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000261558420 341372155 /nfs/dbraw/zinc/37/21/55/341372155.db2.gz SJFWPFQLXJWZRS-FPOVZHCZSA-N 2 0 324.468 3.525 20 0 DHADRP CCCc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248137737 341373783 /nfs/dbraw/zinc/37/37/83/341373783.db2.gz PFOSPBBNMPYHMZ-PXNSSMCTSA-N 2 0 318.505 3.527 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c[nH]c21 ZINC000248168478 341374313 /nfs/dbraw/zinc/37/43/13/341374313.db2.gz UFPLHCDYGDQRGC-ZRGWGRIASA-N 2 0 313.489 3.591 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000552252165 341381573 /nfs/dbraw/zinc/38/15/73/341381573.db2.gz DOJINKLQDVORLI-OKZBNKHCSA-N 2 0 304.453 3.566 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248863851 341388829 /nfs/dbraw/zinc/38/88/29/341388829.db2.gz SMIFOPWBCLLQOT-DVOMOZLQSA-N 2 0 314.395 3.832 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249206418 341395332 /nfs/dbraw/zinc/39/53/32/341395332.db2.gz WALZUPQGRRNUCJ-MDNKFWRPSA-N 2 0 300.490 3.718 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249269284 341395666 /nfs/dbraw/zinc/39/56/66/341395666.db2.gz JRGRBHRGJYDKEF-KFWWJZLASA-N 2 0 306.416 3.818 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000555611875 341486989 /nfs/dbraw/zinc/48/69/89/341486989.db2.gz FNTUGVVSLLOCOE-LSDHHAIUSA-N 2 0 306.416 3.963 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]CCCCC[NH+]2CCCC2)c(F)c1 ZINC000555614055 341487033 /nfs/dbraw/zinc/48/70/33/341487033.db2.gz GMOYMVRYWLAFGD-VOTSOKGWSA-N 2 0 308.416 3.834 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccc(C)cc2C)CC[NH+](C)CC1 ZINC000564433262 341501851 /nfs/dbraw/zinc/50/18/51/341501851.db2.gz WUMOLAXTOYGPLA-INIZCTEOSA-N 2 0 306.519 3.781 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(-c2ccncc2)c1 ZINC000564828054 341510795 /nfs/dbraw/zinc/51/07/95/341510795.db2.gz REUZOMCCEIFNJS-RZQQEMMASA-N 2 0 309.457 3.917 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[NH+](C)CC1 ZINC000566039541 341546254 /nfs/dbraw/zinc/54/62/54/341546254.db2.gz VTJGLNPGXRLUGB-QGZVFWFLSA-N 2 0 318.530 3.826 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c2ccccc12 ZINC000566088437 341547344 /nfs/dbraw/zinc/54/73/44/341547344.db2.gz NRVCWVJBPHCDLN-OAHLLOKOSA-N 2 0 300.446 3.887 20 0 DHADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000566635159 341563763 /nfs/dbraw/zinc/56/37/63/341563763.db2.gz PCXWLUKPEHSXGZ-LJQANCHMSA-N 2 0 318.530 3.873 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CCCC[NH+](C)C)ccc2c1 ZINC000268997140 341606166 /nfs/dbraw/zinc/60/61/66/341606166.db2.gz KTJQIKPTDHACJH-OAHLLOKOSA-N 2 0 300.446 3.841 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000576495003 341849251 /nfs/dbraw/zinc/84/92/51/341849251.db2.gz HVWGPEATARKVFD-MOPGFXCFSA-N 2 0 316.489 3.554 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000576495010 341849282 /nfs/dbraw/zinc/84/92/82/341849282.db2.gz HVWGPEATARKVFD-RTBURBONSA-N 2 0 316.489 3.554 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580551275 341875520 /nfs/dbraw/zinc/87/55/20/341875520.db2.gz IFKCDBRBPMWPQS-ZDUSSCGKSA-N 2 0 322.374 3.885 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1 ZINC000182105883 519732578 /nfs/dbraw/zinc/73/25/78/519732578.db2.gz AONJNDHJPYUTAE-MRXNPFEDSA-N 2 0 319.493 3.805 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000337346105 519770984 /nfs/dbraw/zinc/77/09/84/519770984.db2.gz VTZRCZLLISUHJD-QZTJIDSGSA-N 2 0 318.505 3.822 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000163265665 521710569 /nfs/dbraw/zinc/71/05/69/521710569.db2.gz LJMNHFRCMSUMSH-ILXRZTDVSA-N 2 0 317.502 3.720 20 0 DHADRP C[N@H+](CCC[NH2+]CC1=Cc2ccccc2OC1)Cc1ccccc1 ZINC000102420240 522771392 /nfs/dbraw/zinc/77/13/92/522771392.db2.gz WWUVYENPQOKEJR-UHFFFAOYSA-N 2 0 322.452 3.574 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccccc1OC(F)F ZINC000163283813 522865813 /nfs/dbraw/zinc/86/58/13/522865813.db2.gz MLPUSLKQSBSIAD-UKRRQHHQSA-N 2 0 312.404 3.671 20 0 DHADRP Cc1cc(N2CCC([NH2+]C(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000124238698 525056190 /nfs/dbraw/zinc/05/61/90/525056190.db2.gz WGEAIUVYSFIAHL-UHFFFAOYSA-N 2 0 301.409 3.649 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Br)cs1 ZINC000226394352 525332336 /nfs/dbraw/zinc/33/23/36/525332336.db2.gz MESBREOYMLKRML-JTQLQIEISA-N 2 0 305.285 3.503 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccsc2S1 ZINC000336827460 525436552 /nfs/dbraw/zinc/43/65/52/525436552.db2.gz SNYIGRFABYNIQM-DOMZBBRYSA-N 2 0 310.532 3.995 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccn1 ZINC000158525760 525440649 /nfs/dbraw/zinc/44/06/49/525440649.db2.gz DCQJWQKABVQQOB-KRWDZBQOSA-N 2 0 309.457 3.918 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774966 525504639 /nfs/dbraw/zinc/50/46/39/525504639.db2.gz FEEQLFLHQVAZBJ-HZPDHXFCSA-N 2 0 316.489 3.999 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367705429 525514797 /nfs/dbraw/zinc/51/47/97/525514797.db2.gz MPSOBZVIVCNERM-YLPFRIKTSA-N 2 0 314.473 3.630 20 0 DHADRP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CCCC2)c1 ZINC000157874774 525850240 /nfs/dbraw/zinc/85/02/40/525850240.db2.gz NXUKMUBBPDQTBQ-AEFFLSMTSA-N 2 0 316.489 3.579 20 0 DHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326622 526040751 /nfs/dbraw/zinc/04/07/51/526040751.db2.gz UHAKKOHMKDIYPM-OLZOCXBDSA-N 2 0 311.267 3.571 20 0 DHADRP Cc1ccc2cc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)ccc2n1 ZINC000189242346 526232440 /nfs/dbraw/zinc/23/24/40/526232440.db2.gz GVRONLROUNLKTI-UHFFFAOYSA-N 2 0 319.452 3.895 20 0 DHADRP CC(C)Oc1cc[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165049715 721972019 /nfs/dbraw/zinc/97/20/19/721972019.db2.gz VTWUSSOMCCGQSO-KRWDZBQOSA-N 2 0 317.477 3.714 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CSc2ccccc2)C(C)C)C1 ZINC000180155329 1013055390 /nfs/dbraw/zinc/05/53/90/1013055390.db2.gz IUJARDMQKPOKKC-WMZOPIPTSA-N 2 0 306.519 3.735 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000154870401 1013055449 /nfs/dbraw/zinc/05/54/49/1013055449.db2.gz QYFAWAWDSKNNAP-OAHLLOKOSA-N 2 0 315.436 3.912 20 0 DHADRP CCCOC1CCC([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC1 ZINC001173094039 1033522846 /nfs/dbraw/zinc/52/28/46/1033522846.db2.gz QVWFHMDJDNSQOU-UHFFFAOYSA-N 2 0 308.510 3.708 20 0 DHADRP C[NH+](C)C1CCC(n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001168294704 1032065846 /nfs/dbraw/zinc/06/58/46/1032065846.db2.gz CFRRPWZYMAMFEF-UHFFFAOYSA-N 2 0 319.880 3.841 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000518762374 1013221948 /nfs/dbraw/zinc/22/19/48/1013221948.db2.gz VONSCZNSKFXDAI-UHFFFAOYSA-N 2 0 322.456 3.693 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000519399591 1013315647 /nfs/dbraw/zinc/31/56/47/1013315647.db2.gz VNYQPHXGCXWIAD-USXIJHARSA-N 2 0 308.441 3.558 20 0 DHADRP CCc1cccc(F)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000519478649 1013328709 /nfs/dbraw/zinc/32/87/09/1013328709.db2.gz PYTMHCWBPPSVRY-KRWDZBQOSA-N 2 0 304.453 3.552 20 0 DHADRP c1cc(-c2ccccc2)sc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013961 1013335499 /nfs/dbraw/zinc/33/54/99/1013335499.db2.gz WBKLVEOJOSZSNC-ZWKOTPCHSA-N 2 0 312.482 3.893 20 0 DHADRP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1F ZINC001167967949 1013347355 /nfs/dbraw/zinc/34/73/55/1013347355.db2.gz MEOMEVHEGUROSB-ALOPSCKCSA-N 2 0 320.427 3.502 20 0 DHADRP CCSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398109749 1013351912 /nfs/dbraw/zinc/35/19/12/1013351912.db2.gz NMYUEDPPNYGIQK-AEFFLSMTSA-N 2 0 306.519 3.630 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000398122715 1013359534 /nfs/dbraw/zinc/35/95/34/1013359534.db2.gz HIUKNIVVMFAUCV-NZSAHSFTSA-N 2 0 318.530 3.772 20 0 DHADRP CSc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000894765982 1013484877 /nfs/dbraw/zinc/48/48/77/1013484877.db2.gz MGNKAMLVSNZQAT-UHFFFAOYSA-N 2 0 304.459 3.695 20 0 DHADRP CCC[C@@H](C)CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000625275979 1013580936 /nfs/dbraw/zinc/58/09/36/1013580936.db2.gz KSZMKEPEDKWPQZ-LJQANCHMSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CC2Cc3ccccc3C2)C1 ZINC000519791835 1013604324 /nfs/dbraw/zinc/60/43/24/1013604324.db2.gz KNTLMLRDYSAHEA-KRWDZBQOSA-N 2 0 300.490 3.503 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CS1 ZINC000655722153 1013664960 /nfs/dbraw/zinc/66/49/60/1013664960.db2.gz YHXQPCVZJAVJDS-FPAYPSAMSA-N 2 0 318.530 3.913 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655721147 1013664970 /nfs/dbraw/zinc/66/49/70/1013664970.db2.gz LRUAYDATESWTAY-KBXCAEBGSA-N 2 0 321.428 3.563 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1nc(-c2ccccc2)cs1 ZINC000655806276 1013727984 /nfs/dbraw/zinc/72/79/84/1013727984.db2.gz TZUGARQWMLCFQW-OFQRWUPVSA-N 2 0 315.486 3.801 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000655806014 1013728103 /nfs/dbraw/zinc/72/81/03/1013728103.db2.gz WWYAGITZMCIKKL-ZBINZKHDSA-N 2 0 313.272 3.911 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H](c2ccccc2)C1 ZINC000655806260 1013728441 /nfs/dbraw/zinc/72/84/41/1013728441.db2.gz SYDPRERDHJQQPU-FLFBIERCSA-N 2 0 300.490 3.889 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1(c2ccccc2)CCCC1 ZINC000655806160 1013728655 /nfs/dbraw/zinc/72/86/55/1013728655.db2.gz ZYAWVJOEMBOIGP-LMMKCTJWSA-N 2 0 300.490 3.817 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000655805838 1013725345 /nfs/dbraw/zinc/72/53/45/1013725345.db2.gz UBVBICJWLKVVNI-BEVDRBHNSA-N 2 0 312.432 3.845 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000655826047 1013746197 /nfs/dbraw/zinc/74/61/97/1013746197.db2.gz DWIGZSPMHGKOOD-BETUJISGSA-N 2 0 320.383 3.655 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cc2c(cccc2O)s1)C1CC1 ZINC000894966083 1013756142 /nfs/dbraw/zinc/75/61/42/1013756142.db2.gz INXHDBGFCAONQG-UHFFFAOYSA-N 2 0 304.459 3.571 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000121534965 1013758710 /nfs/dbraw/zinc/75/87/10/1013758710.db2.gz GDVJXWHZRRDDKX-UZLBHIALSA-N 2 0 311.473 3.747 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000895033760 1013780041 /nfs/dbraw/zinc/78/00/41/1013780041.db2.gz GUQFCASKOKZHJW-UHFFFAOYSA-N 2 0 323.893 3.912 20 0 DHADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978601 1013788206 /nfs/dbraw/zinc/78/82/06/1013788206.db2.gz VNBFPLZERNVAPY-KFWWJZLASA-N 2 0 308.416 3.737 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000340439257 1013792049 /nfs/dbraw/zinc/79/20/49/1013792049.db2.gz IPGGMLBFXGXFGG-PKOBYXMFSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000655942665 1013838937 /nfs/dbraw/zinc/83/89/37/1013838937.db2.gz WXKXGRLSONURIC-CGTJXYLNSA-N 2 0 322.880 3.509 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cnn1C(C)(C)C ZINC000340473437 1013845418 /nfs/dbraw/zinc/84/54/18/1013845418.db2.gz CKFAIPXAAAQJLU-MRXNPFEDSA-N 2 0 320.525 3.863 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnn(C2CCCC2)c1 ZINC000340476454 1013858676 /nfs/dbraw/zinc/85/86/76/1013858676.db2.gz QGSWWFDVTDSNTB-QGZVFWFLSA-N 2 0 318.509 3.915 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683765547 1013968973 /nfs/dbraw/zinc/96/89/73/1013968973.db2.gz VJINXXYUGCGWNG-CALCHBBNSA-N 2 0 311.473 3.692 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001168298490 1032080164 /nfs/dbraw/zinc/08/01/64/1032080164.db2.gz XDXQDBNZUNQARQ-UHFFFAOYSA-N 2 0 318.358 3.807 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)ccc1F ZINC000317361438 1014082507 /nfs/dbraw/zinc/08/25/07/1014082507.db2.gz ZPUWKVZGQSWHMO-CABCVRRESA-N 2 0 308.441 3.607 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000315353283 1014102452 /nfs/dbraw/zinc/10/24/52/1014102452.db2.gz HLPBKKNAIKRFFG-SFHVURJKSA-N 2 0 304.478 3.576 20 0 DHADRP CC[N@H+](CCC[NH+]1CCCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC001167386239 1014104235 /nfs/dbraw/zinc/10/42/35/1014104235.db2.gz CDJRIBOSYDBEGK-GOSISDBHSA-N 2 0 318.505 3.824 20 0 DHADRP C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000683930527 1014120813 /nfs/dbraw/zinc/12/08/13/1014120813.db2.gz QQBRYSPHAGAUJN-DOTOQJQBSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000398052650 1014143327 /nfs/dbraw/zinc/14/33/27/1014143327.db2.gz YKGLHCLOBZTNGS-VGOFRKELSA-N 2 0 320.480 3.654 20 0 DHADRP COCCC1(C[NH2+]CCCCn2ccnc2C)CCCCC1 ZINC000189242424 1014170151 /nfs/dbraw/zinc/17/01/51/1014170151.db2.gz OCSOMVGMUKLADA-UHFFFAOYSA-N 2 0 307.482 3.548 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C[C@H](C)O1 ZINC000580521177 1014193600 /nfs/dbraw/zinc/19/36/00/1014193600.db2.gz FSYWPLBNTYURLL-SCAQPMJSSA-N 2 0 322.518 3.506 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001168298221 1032086733 /nfs/dbraw/zinc/08/67/33/1032086733.db2.gz GGFNSOQEPJJVOP-UHFFFAOYSA-N 2 0 306.881 3.834 20 0 DHADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CCCC1 ZINC001167426129 1014259928 /nfs/dbraw/zinc/25/99/28/1014259928.db2.gz UWYJWEOTGSRIOI-WSTZPKSXSA-N 2 0 322.537 3.778 20 0 DHADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CCCC1 ZINC001167426128 1014260553 /nfs/dbraw/zinc/26/05/53/1014260553.db2.gz UWYJWEOTGSRIOI-QWFCFKBJSA-N 2 0 322.537 3.778 20 0 DHADRP CCc1ccccc1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429576 1014280417 /nfs/dbraw/zinc/28/04/17/1014280417.db2.gz KQPHTZSALOZFNT-GOSISDBHSA-N 2 0 300.490 3.599 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000580708638 1014299345 /nfs/dbraw/zinc/29/93/45/1014299345.db2.gz COWMLYMCGCKRSJ-CWFSZBLJSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC(F)(F)CC1 ZINC000656279042 1014306361 /nfs/dbraw/zinc/30/63/61/1014306361.db2.gz VHCYUBRZLSDPED-CQSZACIVSA-N 2 0 323.431 3.854 20 0 DHADRP COC[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001168005994 1014412424 /nfs/dbraw/zinc/41/24/24/1014412424.db2.gz MCUVMAJWHIBJNF-HLIPFELVSA-N 2 0 318.505 3.689 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000580974597 1014497744 /nfs/dbraw/zinc/49/77/44/1014497744.db2.gz CCOMGKAGHIJESA-MRXNPFEDSA-N 2 0 320.452 3.533 20 0 DHADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665234507 1014505560 /nfs/dbraw/zinc/50/55/60/1014505560.db2.gz DZVKPBWAAQAVDO-GUYCJALGSA-N 2 0 315.436 3.660 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)c2ccccc21 ZINC000665238851 1014515441 /nfs/dbraw/zinc/51/54/41/1014515441.db2.gz FZXTWFGKBCVLJM-ICSRJNTNSA-N 2 0 303.409 3.512 20 0 DHADRP c1ccc2c(c1)C[C@@H]1[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000127931678 1014519852 /nfs/dbraw/zinc/51/98/52/1014519852.db2.gz XCEVICRILBAPSH-YPAWHYETSA-N 2 0 324.512 3.959 20 0 DHADRP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC2CCC2)cc1 ZINC000656410583 1014581453 /nfs/dbraw/zinc/58/14/53/1014581453.db2.gz XFLNZHOXIKWILI-BURNTYAHSA-N 2 0 310.485 3.629 20 0 DHADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665261452 1014598011 /nfs/dbraw/zinc/59/80/11/1014598011.db2.gz CSHLVFXQBCSDFQ-SBHAEUEKSA-N 2 0 320.436 3.519 20 0 DHADRP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000317511794 1014599543 /nfs/dbraw/zinc/59/95/43/1014599543.db2.gz NJCHZHYGSSRIPW-LSDHHAIUSA-N 2 0 315.848 3.605 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000581200857 1014610792 /nfs/dbraw/zinc/61/07/92/1014610792.db2.gz TURINAYMTOCSTB-VBNZEHGJSA-N 2 0 306.425 3.535 20 0 DHADRP C[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000665272909 1014628708 /nfs/dbraw/zinc/62/87/08/1014628708.db2.gz NHGSZIXITKVBRP-KOLCDFICSA-N 2 0 320.321 3.770 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000558258926 1014642130 /nfs/dbraw/zinc/64/21/30/1014642130.db2.gz SVHJJNHIFHZGOZ-MDZRGWNJSA-N 2 0 304.478 3.507 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(OC(F)F)cc1 ZINC000665279519 1014665922 /nfs/dbraw/zinc/66/59/22/1014665922.db2.gz FIAADVZZLIAHLW-CABCVRRESA-N 2 0 300.393 3.702 20 0 DHADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442650195 1014711993 /nfs/dbraw/zinc/71/19/93/1014711993.db2.gz ORZVCPLBGDWCOH-GDBMZVCRSA-N 2 0 314.395 3.883 20 0 DHADRP C[N@H+](CCCOc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754222 1014729659 /nfs/dbraw/zinc/72/96/59/1014729659.db2.gz HVCAWTKOTZLYLG-DFNIBXOVSA-N 2 0 324.468 3.824 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000262057292 1014770550 /nfs/dbraw/zinc/77/05/50/1014770550.db2.gz DNGIVRLIDHHSAH-HRCADAONSA-N 2 0 312.379 3.716 20 0 DHADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000521851874 1014814088 /nfs/dbraw/zinc/81/40/88/1014814088.db2.gz OYMOLMBSBFDWPZ-JXFKEZNVSA-N 2 0 316.489 3.780 20 0 DHADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)CCCC(C)(C)OC ZINC001279494223 1014909327 /nfs/dbraw/zinc/90/93/27/1014909327.db2.gz GRGRXRNTSHETMD-OOKSDGMUSA-N 2 0 310.526 3.823 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000443443186 1014915140 /nfs/dbraw/zinc/91/51/40/1014915140.db2.gz YAHKMXAQIXCLBH-CVEARBPZSA-N 2 0 309.457 3.566 20 0 DHADRP Cc1csc([C@@H](C)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000349671501 1014991663 /nfs/dbraw/zinc/99/16/63/1014991663.db2.gz WRSUFRDCWBMSPK-AWEZNQCLSA-N 2 0 321.534 3.942 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000656675513 1015051833 /nfs/dbraw/zinc/05/18/33/1015051833.db2.gz AZVIMPZYBFFFPA-QGZVFWFLSA-N 2 0 316.489 3.537 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000656678861 1015059278 /nfs/dbraw/zinc/05/92/78/1015059278.db2.gz VGWGIYIDEDWTTQ-FQEVSTJZSA-N 2 0 316.489 3.618 20 0 DHADRP CCC[C@H](C)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000341269281 1015117050 /nfs/dbraw/zinc/11/70/50/1015117050.db2.gz NLUXWNCMNXGEQV-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)CCC[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000341282710 1015133229 /nfs/dbraw/zinc/13/32/29/1015133229.db2.gz XVUUDYWKWPVAAC-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP c1nc(C2CCC2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785438 1015157575 /nfs/dbraw/zinc/15/75/75/1015157575.db2.gz HFOWIRPLCNNEMY-INIZCTEOSA-N 2 0 319.518 3.622 20 0 DHADRP FC(F)Oc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000052441481 1015163951 /nfs/dbraw/zinc/16/39/51/1015163951.db2.gz DJYJKULHVXNSPQ-UHFFFAOYSA-N 2 0 324.415 3.596 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000684372197 1015176663 /nfs/dbraw/zinc/17/66/63/1015176663.db2.gz NRGMQRXSAXCRET-RTBURBONSA-N 2 0 304.478 3.574 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000684390150 1015238331 /nfs/dbraw/zinc/23/83/31/1015238331.db2.gz SYPDUKBRNHGFEP-OALUTQOASA-N 2 0 304.478 3.574 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000474478098 1015383991 /nfs/dbraw/zinc/38/39/91/1015383991.db2.gz JZBCPQCXFAURFL-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001279520035 1015418259 /nfs/dbraw/zinc/41/82/59/1015418259.db2.gz AAELXCLYNXKHOJ-ALOPSCKCSA-N 2 0 321.534 3.973 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCCC(C)C)cc2)C1 ZINC000097444939 1015421038 /nfs/dbraw/zinc/42/10/38/1015421038.db2.gz AKMQXVPUGVYVFL-SFHVURJKSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039210 1015494761 /nfs/dbraw/zinc/49/47/61/1015494761.db2.gz CHDCZDQSUBUTOQ-PIKOESSRSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCCS1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000327715705 1015530737 /nfs/dbraw/zinc/53/07/37/1015530737.db2.gz CZSMMOSPVYFHFV-QXAKKESOSA-N 2 0 318.530 3.772 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000474724423 1015565200 /nfs/dbraw/zinc/56/52/00/1015565200.db2.gz WEYPJINYYYFFQF-WTGUMLROSA-N 2 0 324.553 3.928 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000453409033 1015584064 /nfs/dbraw/zinc/58/40/64/1015584064.db2.gz GZRWSBOZIAJZAC-NEWSRXKRSA-N 2 0 316.489 3.617 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000474818116 1015617487 /nfs/dbraw/zinc/61/74/87/1015617487.db2.gz PZBPPNVKHHYUQU-APWZRJJASA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933819395 1015678259 /nfs/dbraw/zinc/67/82/59/1015678259.db2.gz PCDHMKQNYFKMKF-KRWDZBQOSA-N 2 0 309.457 3.741 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(C2CC2)ccc1F ZINC000581997060 1015772953 /nfs/dbraw/zinc/77/29/53/1015772953.db2.gz LRLDDJLGBQMQIA-LBPRGKRZSA-N 2 0 313.420 3.716 20 0 DHADRP CC[N@H+](CCC1CCN(c2cccc(C)n2)CC1)CC(C)C ZINC000475042621 1015796388 /nfs/dbraw/zinc/79/63/88/1015796388.db2.gz YMJGEVISNMXODZ-UHFFFAOYSA-N 2 0 303.494 3.974 20 0 DHADRP CS[C@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000280943247 1015810466 /nfs/dbraw/zinc/81/04/66/1015810466.db2.gz IBFTZFHVDXFECR-FAEJEUNOSA-N 2 0 306.519 3.771 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000281113198 1015834042 /nfs/dbraw/zinc/83/40/42/1015834042.db2.gz ABZYMNPKZFHCFI-IEBWSBKVSA-N 2 0 315.505 3.879 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000396422887 1015964839 /nfs/dbraw/zinc/96/48/39/1015964839.db2.gz AGTVWRGFCGMMPY-NSHDSACASA-N 2 0 301.261 3.813 20 0 DHADRP FC(F)Oc1cccc(Cl)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666902435 1032138834 /nfs/dbraw/zinc/13/88/34/1032138834.db2.gz WROQFKWGASDXCU-NSHDSACASA-N 2 0 318.795 3.563 20 0 DHADRP CCC[NH+]1CCC([NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000130300860 1016109534 /nfs/dbraw/zinc/10/95/34/1016109534.db2.gz DBGNYCLZTLMLFO-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP C[C@H](NCCC[NH+](C)C)c1ccc(SCC(F)F)cc1 ZINC000151908175 1016283503 /nfs/dbraw/zinc/28/35/03/1016283503.db2.gz BYROGUCSODEJAU-LBPRGKRZSA-N 2 0 302.434 3.646 20 0 DHADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)CC1 ZINC000892162377 1016326008 /nfs/dbraw/zinc/32/60/08/1016326008.db2.gz XJXCDFAQIHLQDN-QGZVFWFLSA-N 2 0 313.445 3.697 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000684773945 1016427705 /nfs/dbraw/zinc/42/77/05/1016427705.db2.gz MQOMGSPXTMKBEJ-MZMPZRCHSA-N 2 0 306.881 3.906 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000346655432 1016496413 /nfs/dbraw/zinc/49/64/13/1016496413.db2.gz RPIWDAMOTLTCQI-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000346657928 1016497691 /nfs/dbraw/zinc/49/76/91/1016497691.db2.gz HIGKPCHSCVUJOJ-MRXNPFEDSA-N 2 0 320.868 3.535 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346666507 1016500179 /nfs/dbraw/zinc/50/01/79/1016500179.db2.gz YKFYBSVQBFXDDZ-JSGCOSHPSA-N 2 0 304.434 3.723 20 0 DHADRP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1Oc1cccnc1 ZINC000346694010 1016509353 /nfs/dbraw/zinc/50/93/53/1016509353.db2.gz RDLKVNDBBKYMTA-UHFFFAOYSA-N 2 0 313.445 3.599 20 0 DHADRP COc1cccc(C=C2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1 ZINC000892227661 1016520157 /nfs/dbraw/zinc/52/01/57/1016520157.db2.gz JNQIXIGEKSRFQT-UHFFFAOYSA-N 2 0 314.473 3.516 20 0 DHADRP COCCCC1(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCC1 ZINC000892234338 1016541026 /nfs/dbraw/zinc/54/10/26/1016541026.db2.gz DFSVTCHHZQDNCI-IEBWSBKVSA-N 2 0 320.521 3.532 20 0 DHADRP Fc1cccc(F)c1C[N@H+](CCCn1ccnc1)C1CCCC1 ZINC000342480050 1016572047 /nfs/dbraw/zinc/57/20/47/1016572047.db2.gz MFNSMMJPYDGBNT-UHFFFAOYSA-N 2 0 319.399 3.996 20 0 DHADRP CO[C@H](c1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)cc1)[C@@H](C)[NH3+] ZINC000629708316 1016584221 /nfs/dbraw/zinc/58/42/21/1016584221.db2.gz FAVSGHFDEOGARP-VFNWGFHPSA-N 2 0 324.468 3.983 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152400453 1016591705 /nfs/dbraw/zinc/59/17/05/1016591705.db2.gz IOJOEZZAJYTGMM-TZMCWYRMSA-N 2 0 307.507 3.710 20 0 DHADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C[C@@H]12 ZINC000346846666 1016592724 /nfs/dbraw/zinc/59/27/24/1016592724.db2.gz BQILXBNRXQYLQX-YSVLISHTSA-N 2 0 316.445 3.723 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346878717 1016621231 /nfs/dbraw/zinc/62/12/31/1016621231.db2.gz MCSHWBSLERUTRH-YJBOKZPZSA-N 2 0 302.462 3.537 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC1 ZINC000629732174 1016623715 /nfs/dbraw/zinc/62/37/15/1016623715.db2.gz MNMVAPNDMSLJAK-UHFFFAOYSA-N 2 0 322.452 3.602 20 0 DHADRP COc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(C)c1 ZINC000629732988 1016624216 /nfs/dbraw/zinc/62/42/16/1016624216.db2.gz WLPCQVVDVSWKHT-UHFFFAOYSA-N 2 0 310.441 3.594 20 0 DHADRP Fc1cncc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)C2CC2)c1 ZINC000281714299 1016678028 /nfs/dbraw/zinc/67/80/28/1016678028.db2.gz UFLRXWGDQGMAPS-LJQANCHMSA-N 2 0 319.468 3.918 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001168305708 1032149790 /nfs/dbraw/zinc/14/97/90/1032149790.db2.gz KZPPJXXTGARYIN-MQBCKMQZSA-N 2 0 307.869 3.649 20 0 DHADRP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[C@H](C)N1Cc1ccccc1 ZINC001168050656 1016762789 /nfs/dbraw/zinc/76/27/89/1016762789.db2.gz CDBQNMFQZHSQIZ-ZLKCZHQWSA-N 2 0 316.464 3.860 20 0 DHADRP COc1ccccc1C1([NH2+]C2CCC([NH+](C)C)CC2)CCC1 ZINC001168305594 1032150244 /nfs/dbraw/zinc/15/02/44/1032150244.db2.gz PBSMZMQKWXUOTB-UHFFFAOYSA-N 2 0 302.462 3.537 20 0 DHADRP Fc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281981737 1016849931 /nfs/dbraw/zinc/84/99/31/1016849931.db2.gz HRBYNOKPXSSFAU-MRXNPFEDSA-N 2 0 313.420 3.738 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCc2ccncc2)C1 ZINC000347289000 1016851126 /nfs/dbraw/zinc/85/11/26/1016851126.db2.gz SCRCNBCXABVIBX-AZUAARDMSA-N 2 0 315.505 3.601 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCc2ccncc2)C1 ZINC000347289002 1016851430 /nfs/dbraw/zinc/85/14/30/1016851430.db2.gz SCRCNBCXABVIBX-QUCCMNQESA-N 2 0 315.505 3.601 20 0 DHADRP Cc1nc(-c2ccccc2)oc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000639513545 1016856293 /nfs/dbraw/zinc/85/62/93/1016856293.db2.gz IMZJDWBLZHYCMT-UHFFFAOYSA-N 2 0 322.412 3.684 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185351037 1016871480 /nfs/dbraw/zinc/87/14/80/1016871480.db2.gz YFZYTHXDIHYLPJ-ZDUSSCGKSA-N 2 0 310.869 3.818 20 0 DHADRP C[N@@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)CC1(C)C ZINC000623384864 1017008397 /nfs/dbraw/zinc/00/83/97/1017008397.db2.gz OFIDFIRKFRTXDO-ZDUSSCGKSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](CNCc2csc(C(F)(F)F)c2)C1 ZINC000623384119 1017009149 /nfs/dbraw/zinc/00/91/49/1017009149.db2.gz POBCHINTIOURBA-LLVKDONJSA-N 2 0 306.397 3.587 20 0 DHADRP COc1ccc(C2([NH2+]C3CCC([NH+](C)C)CC3)CCC2)cc1 ZINC001168305937 1032152907 /nfs/dbraw/zinc/15/29/07/1032152907.db2.gz VKZGLWCNXVKNNF-UHFFFAOYSA-N 2 0 302.462 3.537 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C12CCCCC2 ZINC000623430756 1017041456 /nfs/dbraw/zinc/04/14/56/1017041456.db2.gz CVTLZVHFKRDKIZ-YESZJQIVSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000475191478 1017050913 /nfs/dbraw/zinc/05/09/13/1017050913.db2.gz JQXLQXWFWYBRTH-UYAOXDASSA-N 2 0 318.505 3.517 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444553 1017051336 /nfs/dbraw/zinc/05/13/36/1017051336.db2.gz KOCYSOSTJHQNSF-FUHWJXTLSA-N 2 0 315.505 3.810 20 0 DHADRP CC[C@@H]([NH2+]CCCNc1ccccn1)c1cc(F)ccc1F ZINC000361922372 1032155483 /nfs/dbraw/zinc/15/54/83/1032155483.db2.gz IIUQFCDRTXXMJO-MRXNPFEDSA-N 2 0 305.372 3.903 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000361967859 1032175977 /nfs/dbraw/zinc/17/59/77/1032175977.db2.gz NKQAGQYBYPHVRO-JENIJYKNSA-N 2 0 316.489 3.980 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CCCO2 ZINC000361969695 1032178005 /nfs/dbraw/zinc/17/80/05/1032178005.db2.gz CIMZMWDUZBTUTL-YQVWRLOYSA-N 2 0 316.489 3.980 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000294843639 1032178406 /nfs/dbraw/zinc/17/84/06/1032178406.db2.gz UFQQYHDYVKIOMP-MRXNPFEDSA-N 2 0 318.505 3.558 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657537761 1017231095 /nfs/dbraw/zinc/23/10/95/1017231095.db2.gz SEWLJXUZTMDGIW-MJGOQNOKSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000192952521 1017232195 /nfs/dbraw/zinc/23/21/95/1017232195.db2.gz XBZFQFKKTFUHRS-GOSISDBHSA-N 2 0 302.462 3.535 20 0 DHADRP Cc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000294864228 1032185187 /nfs/dbraw/zinc/18/51/87/1032185187.db2.gz WBDNXMYLGXKGHH-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000294999554 1032241670 /nfs/dbraw/zinc/24/16/70/1032241670.db2.gz LXQBBCMQFDVRLK-YHUYYLMFSA-N 2 0 304.865 3.802 20 0 DHADRP Cc1ccccc1O[C@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168322905 1032268312 /nfs/dbraw/zinc/26/83/12/1032268312.db2.gz IRBDEJDDGQLGRY-ACBHZAAOSA-N 2 0 316.489 3.711 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC)cc1 ZINC000362203301 1032270387 /nfs/dbraw/zinc/27/03/87/1032270387.db2.gz VCDYMXLSYAQAOH-AOIWGVFYSA-N 2 0 302.462 3.753 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000537615848 1032287817 /nfs/dbraw/zinc/28/78/17/1032287817.db2.gz QCLDAMHGTLZYNX-APWZRJJASA-N 2 0 304.478 3.638 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001168327554 1032288697 /nfs/dbraw/zinc/28/86/97/1032288697.db2.gz ONFLAXPTZJBDCH-MHJFOBGBSA-N 2 0 316.489 3.540 20 0 DHADRP C[NH+](C)C1CCC([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001168329717 1032312698 /nfs/dbraw/zinc/31/26/98/1032312698.db2.gz DPPZIAALEKYQPZ-UHFFFAOYSA-N 3 0 321.553 3.588 20 0 DHADRP C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000057993976 1032324751 /nfs/dbraw/zinc/32/47/51/1032324751.db2.gz UULDAMTVBNLWNE-CYBMUJFWSA-N 2 0 300.368 3.527 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000119955331 1032331794 /nfs/dbraw/zinc/33/17/94/1032331794.db2.gz XTNWNSUPXIAOLP-LSDHHAIUSA-N 2 0 306.450 3.576 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000119959197 1032332458 /nfs/dbraw/zinc/33/24/58/1032332458.db2.gz PUKUYVKPHWUWRE-HUUCEWRRSA-N 2 0 310.457 3.995 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000179634657 1017277228 /nfs/dbraw/zinc/27/72/28/1017277228.db2.gz BVDZFKIDPVYDMB-HNNXBMFYSA-N 2 0 300.471 3.799 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171335960 1032435703 /nfs/dbraw/zinc/43/57/03/1032435703.db2.gz CHNGFEXNYOZGAI-INIZCTEOSA-N 2 0 310.432 3.534 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000475208090 1017082638 /nfs/dbraw/zinc/08/26/38/1017082638.db2.gz IKRIWWKCFZBOGP-IRXDYDNUSA-N 2 0 318.505 3.899 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC1(C)C ZINC000623515023 1017085246 /nfs/dbraw/zinc/08/52/46/1017085246.db2.gz LLVFOUUUAUMVAI-MRXNPFEDSA-N 2 0 317.452 3.702 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)CC1(C)C ZINC000623521359 1017088396 /nfs/dbraw/zinc/08/83/96/1017088396.db2.gz QWEHVHZAQYEGAD-INIZCTEOSA-N 2 0 319.880 3.757 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000075007706 1017287791 /nfs/dbraw/zinc/28/77/91/1017287791.db2.gz SVXVQBOOBFDDPC-INIZCTEOSA-N 2 0 322.468 3.710 20 0 DHADRP CCO[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168060230 1017097900 /nfs/dbraw/zinc/09/79/00/1017097900.db2.gz VVKHZAQBTPYIHB-MBOZVWFJSA-N 2 0 316.489 3.539 20 0 DHADRP COc1cccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1F ZINC000192708508 1017298759 /nfs/dbraw/zinc/29/87/59/1017298759.db2.gz QEDGLFFIICTRKS-GOEBONIOSA-N 2 0 320.452 3.577 20 0 DHADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172579456 1033294906 /nfs/dbraw/zinc/29/49/06/1033294906.db2.gz WKYKHGITXIIZRA-DRZSPHRISA-N 2 0 316.823 3.799 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1)CC(C)(C)CC[NH3+] ZINC001171356262 1032514519 /nfs/dbraw/zinc/51/45/19/1032514519.db2.gz ZJJMKKARHBXCMB-CJNGLKHVSA-N 2 0 324.459 3.813 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000093693174 1032552596 /nfs/dbraw/zinc/55/25/96/1032552596.db2.gz QMLUSYMAEFUHRQ-LJQANCHMSA-N 2 0 323.484 3.912 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000122710777 1032569370 /nfs/dbraw/zinc/56/93/70/1032569370.db2.gz RQIFGGJLYDIBEI-INIZCTEOSA-N 2 0 304.478 3.776 20 0 DHADRP [NH3+]C[C@H]1COc2ccccc2N1c1cc[nH+]cc1-c1ccccc1 ZINC001171393275 1032576904 /nfs/dbraw/zinc/57/69/04/1032576904.db2.gz KACAOBMSHZXKFF-INIZCTEOSA-N 2 0 317.392 3.606 20 0 DHADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000424079670 1011894941 /nfs/dbraw/zinc/89/49/41/1011894941.db2.gz RMPSPWDKHWGAHE-RHSMWYFYSA-N 2 0 317.477 3.723 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000396473811 1011936440 /nfs/dbraw/zinc/93/64/40/1011936440.db2.gz ZRRZNMGHAIMZRL-HZPDHXFCSA-N 2 0 304.478 3.856 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C[C@H]2C1 ZINC000424256919 1011951176 /nfs/dbraw/zinc/95/11/76/1011951176.db2.gz ATRIVSMMHMZHDC-BVFILSHUSA-N 2 0 322.537 3.538 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424296809 1011963158 /nfs/dbraw/zinc/96/31/58/1011963158.db2.gz FZNKGDCUYHVIMW-AXGBLAMUSA-N 2 0 322.537 3.680 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC000424358687 1011997943 /nfs/dbraw/zinc/99/79/43/1011997943.db2.gz XOQWRGKXSHLICY-WUOIFLIFSA-N 2 0 320.521 3.577 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC000424358681 1011999168 /nfs/dbraw/zinc/99/91/68/1011999168.db2.gz XOQWRGKXSHLICY-DSJDWBEOSA-N 2 0 320.521 3.577 20 0 DHADRP Cc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc2cccnc12 ZINC000424382399 1012018878 /nfs/dbraw/zinc/01/88/78/1012018878.db2.gz SDDLNEPGLJRVCS-INIZCTEOSA-N 2 0 309.457 3.507 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2Cl)C[C@@H]1C ZINC000579780571 1012094305 /nfs/dbraw/zinc/09/43/05/1012094305.db2.gz HZHOKTDJRZJSOH-BBRMVZONSA-N 2 0 312.860 3.826 20 0 DHADRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001208109847 1012112765 /nfs/dbraw/zinc/11/27/65/1012112765.db2.gz SWGLSXINKKLEMK-INIZCTEOSA-N 2 0 306.881 3.861 20 0 DHADRP Clc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548102 1012118049 /nfs/dbraw/zinc/11/80/49/1012118049.db2.gz MKBFKWMPYVAJSU-SUMWQHHRSA-N 2 0 304.865 3.982 20 0 DHADRP Fc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1-c1cccs1 ZINC000666952214 1032603225 /nfs/dbraw/zinc/60/32/25/1032603225.db2.gz KOGNHUIYGVZNRZ-KRWDZBQOSA-N 2 0 316.445 3.786 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955397 1032612255 /nfs/dbraw/zinc/61/22/55/1032612255.db2.gz GJZJTGBIQSWTSH-HNNXBMFYSA-N 2 0 313.272 3.658 20 0 DHADRP CCC[NH+]1CCC(Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000153587309 1012279414 /nfs/dbraw/zinc/27/94/14/1012279414.db2.gz KLASUSYFCNUCTF-UHFFFAOYSA-N 2 0 315.505 3.611 20 0 DHADRP C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cn1 ZINC000092742848 1012455288 /nfs/dbraw/zinc/45/52/88/1012455288.db2.gz GJXOTJCQKHNOGE-HNNXBMFYSA-N 2 0 319.468 3.916 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001208606027 1012459312 /nfs/dbraw/zinc/45/93/12/1012459312.db2.gz DGMNDGCAKXUSJN-HNNXBMFYSA-N 2 0 306.881 3.861 20 0 DHADRP Cc1[nH+]c(N2CC3(CC[NH2+]CC3)c3ccccc32)cc2[nH]ccc21 ZINC001167071637 1012463206 /nfs/dbraw/zinc/46/32/06/1012463206.db2.gz UNAWVPZNMIKCSP-UHFFFAOYSA-N 2 0 318.424 3.644 20 0 DHADRP C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C1CC[NH+](C)CC1 ZINC000119352853 1012472615 /nfs/dbraw/zinc/47/26/15/1012472615.db2.gz BNNFKPWUOUYKSL-AUUYWEPGSA-N 2 0 304.453 3.987 20 0 DHADRP Cc1nc(CNc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[nH]c1C ZINC000514873626 1012478839 /nfs/dbraw/zinc/47/88/39/1012478839.db2.gz PTZASNIWSCRJTQ-AWEZNQCLSA-N 2 0 312.461 3.871 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)[C@@H](C)C1 ZINC000514956825 1012521842 /nfs/dbraw/zinc/52/18/42/1012521842.db2.gz ULUKYJDEWQBMHD-WMZOPIPTSA-N 2 0 310.526 3.539 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C2CC2)[C@@H](C)C1 ZINC000514956819 1012521999 /nfs/dbraw/zinc/52/19/99/1012521999.db2.gz ULUKYJDEWQBMHD-FUHWJXTLSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCSCC1 ZINC000436304835 1012715416 /nfs/dbraw/zinc/71/54/16/1012715416.db2.gz DZHAFTRKSBKJNN-YJBOKZPZSA-N 2 0 310.551 3.905 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000123720048 1032655303 /nfs/dbraw/zinc/65/53/03/1032655303.db2.gz WOCZTDSVUYLPSO-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP [NH3+]Cc1cccc2c1ccn2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961906 1012820684 /nfs/dbraw/zinc/82/06/84/1012820684.db2.gz QHTHVNJCFJUSKU-JWTNVVGKSA-N 2 0 309.457 3.678 20 0 DHADRP C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1 ZINC000037140852 1012835988 /nfs/dbraw/zinc/83/59/88/1012835988.db2.gz BGAAHLAIZONIBS-LBPRGKRZSA-N 2 0 323.278 3.727 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)[C@H]2CCC[C@H]21 ZINC000517046455 1012898116 /nfs/dbraw/zinc/89/81/16/1012898116.db2.gz VNFPCHYFYOIJTR-YZGWKJHDSA-N 2 0 311.473 3.563 20 0 DHADRP [NH3+]Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc12 ZINC001167962224 1012908469 /nfs/dbraw/zinc/90/84/69/1012908469.db2.gz VOTDFWIQMLBRQS-JWTNVVGKSA-N 2 0 309.457 3.678 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000517202715 1012932122 /nfs/dbraw/zinc/93/21/22/1012932122.db2.gz UXYQJXOYIQRPQN-CYBMUJFWSA-N 2 0 310.482 3.930 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475279791 1017115564 /nfs/dbraw/zinc/11/55/64/1017115564.db2.gz ZHQJQPUSIZDJJT-AABGKKOBSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]([NH2+]CCc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178144653 1017165445 /nfs/dbraw/zinc/16/54/45/1017165445.db2.gz NEYAEKHTSLQGJE-QGZVFWFLSA-N 2 0 312.457 3.520 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000178169170 1017165739 /nfs/dbraw/zinc/16/57/39/1017165739.db2.gz ONUCRDFUCAITKB-KEYYUXOJSA-N 2 0 310.482 3.626 20 0 DHADRP COC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC(C)CC1 ZINC000475421128 1017211333 /nfs/dbraw/zinc/21/13/33/1017211333.db2.gz ASHOLOZJBJILCG-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534112 1017213264 /nfs/dbraw/zinc/21/32/64/1017213264.db2.gz DZRZGRYRGRLQET-HKUYNNGSSA-N 2 0 323.484 3.828 20 0 DHADRP C/C(=C\c1ccccc1)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000180275475 1017408630 /nfs/dbraw/zinc/40/86/30/1017408630.db2.gz MWWQMXLVKWAWBJ-OBGWFSINSA-N 2 0 321.468 3.991 20 0 DHADRP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623821871 1017523129 /nfs/dbraw/zinc/52/31/29/1017523129.db2.gz JZTGYYKJZLSPBH-HZPDHXFCSA-N 2 0 312.379 3.508 20 0 DHADRP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623821869 1017524222 /nfs/dbraw/zinc/52/42/22/1017524222.db2.gz JZTGYYKJZLSPBH-CVEARBPZSA-N 2 0 312.379 3.508 20 0 DHADRP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000623866497 1017541669 /nfs/dbraw/zinc/54/16/69/1017541669.db2.gz YGUFETCAPWTJBP-IIYDPXPESA-N 2 0 308.828 3.683 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCCO1 ZINC000623854481 1017543528 /nfs/dbraw/zinc/54/35/28/1017543528.db2.gz AAGMZSHUPSPSHG-XLIONFOSSA-N 2 0 316.489 3.720 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125404451 1032706925 /nfs/dbraw/zinc/70/69/25/1032706925.db2.gz NTJPJSNNFDSVCE-HOTGVXAUSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657612978 1017573374 /nfs/dbraw/zinc/57/33/74/1017573374.db2.gz HOBDPGMNNCZWMA-FXAWDEMLSA-N 2 0 315.505 3.710 20 0 DHADRP C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444636464 1017594151 /nfs/dbraw/zinc/59/41/51/1017594151.db2.gz NKORDLHMFVGTEG-HXUWFJFHSA-N 2 0 300.490 3.960 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC000444646104 1017604494 /nfs/dbraw/zinc/60/44/94/1017604494.db2.gz YQKFQLVGFDTOQV-INIZCTEOSA-N 2 0 300.471 3.799 20 0 DHADRP Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000120032363 1017682598 /nfs/dbraw/zinc/68/25/98/1017682598.db2.gz JPEKNICYQVTJJI-HNNXBMFYSA-N 2 0 304.459 3.651 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121105 1017694850 /nfs/dbraw/zinc/69/48/50/1017694850.db2.gz OAHNKYOEVQAIDN-ZACQAIPSSA-N 2 0 304.478 3.509 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123457 1017696559 /nfs/dbraw/zinc/69/65/59/1017696559.db2.gz MGMPTXLGMWSGEF-HNAYVOBHSA-N 2 0 316.489 3.739 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000666977306 1032721274 /nfs/dbraw/zinc/72/12/74/1032721274.db2.gz GCYGOVYWOASYNG-HKUYNNGSSA-N 2 0 310.441 3.623 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000090946757 1017833912 /nfs/dbraw/zinc/83/39/12/1017833912.db2.gz PTBGDBKWDHCCCD-UWJYYQICSA-N 2 0 323.484 3.799 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)C1CC[NH+](C)CC1 ZINC000090956524 1017834385 /nfs/dbraw/zinc/83/43/85/1017834385.db2.gz GPCZEWKCWLIRMC-ZDUSSCGKSA-N 2 0 324.871 3.831 20 0 DHADRP C[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000182073853 1017857966 /nfs/dbraw/zinc/85/79/66/1017857966.db2.gz YSYAHORXEGJYSV-SFHVURJKSA-N 2 0 323.484 3.766 20 0 DHADRP C[N@H+](Cc1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000358367039 1017873943 /nfs/dbraw/zinc/87/39/43/1017873943.db2.gz IXGOMMFGGBDQCU-HXUWFJFHSA-N 2 0 324.468 3.840 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(CO)c1 ZINC000183216372 1018003378 /nfs/dbraw/zinc/00/33/78/1018003378.db2.gz AXCDMHIKFXASNE-QGZVFWFLSA-N 2 0 324.468 3.626 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC1(C)C ZINC000658069254 1018026661 /nfs/dbraw/zinc/02/66/61/1018026661.db2.gz DZIYZMFVFZRKMM-MOPGFXCFSA-N 2 0 322.537 3.682 20 0 DHADRP Oc1ccc2c(c1)CN(Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000625728388 1018030001 /nfs/dbraw/zinc/03/00/01/1018030001.db2.gz MUXWNVZIVGLPLJ-UHFFFAOYSA-N 2 0 322.452 3.894 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)cc1 ZINC000318699525 1018054397 /nfs/dbraw/zinc/05/43/97/1018054397.db2.gz QGWPOIULVPHLDV-MOPGFXCFSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185747597 1018127520 /nfs/dbraw/zinc/12/75/20/1018127520.db2.gz ZFAZSRXZKBXQLT-HKUYNNGSSA-N 2 0 300.490 3.862 20 0 DHADRP CC1(C)[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1(F)F ZINC000657736800 1018131930 /nfs/dbraw/zinc/13/19/30/1018131930.db2.gz FYXMGVPFGOHYMD-INIZCTEOSA-N 2 0 308.416 3.532 20 0 DHADRP COc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000380189338 1018133836 /nfs/dbraw/zinc/13/38/36/1018133836.db2.gz PRBCISHLEJVLFJ-XLIONFOSSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@H]([NH2+]CCc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123921806 1018138044 /nfs/dbraw/zinc/13/80/44/1018138044.db2.gz SGCLLDOPWIHOLS-RDJZCZTQSA-N 2 0 304.453 3.611 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000123993197 1018144299 /nfs/dbraw/zinc/14/42/99/1018144299.db2.gz MVACEHFKEDTGJS-MRXNPFEDSA-N 2 0 314.477 3.767 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(OC)cc1 ZINC000658357527 1018186002 /nfs/dbraw/zinc/18/60/02/1018186002.db2.gz UCJBFXGDDUXTNP-HXUWFJFHSA-N 2 0 316.489 3.858 20 0 DHADRP CC1(C)CCCN(CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000446845669 1018272417 /nfs/dbraw/zinc/27/24/17/1018272417.db2.gz PNCYRKKOSLWBGX-UHFFFAOYSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cncs1 ZINC000125469465 1018285847 /nfs/dbraw/zinc/28/58/47/1018285847.db2.gz PKIIJPGIBAJUQR-ZDUSSCGKSA-N 2 0 321.515 3.767 20 0 DHADRP FC(F)(F)C1CCC(C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446884870 1018289081 /nfs/dbraw/zinc/28/90/81/1018289081.db2.gz RWBUWUWTKPEHDB-UHFFFAOYSA-N 2 0 318.427 3.819 20 0 DHADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446885996 1018289808 /nfs/dbraw/zinc/28/98/08/1018289808.db2.gz ZMTRVXWPBMDHNV-PZJWPPBQSA-N 2 0 312.501 3.961 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446887704 1018290046 /nfs/dbraw/zinc/29/00/46/1018290046.db2.gz XKKPOJJEKUOCPZ-KRWDZBQOSA-N 2 0 300.490 3.780 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381987219 1018293120 /nfs/dbraw/zinc/29/31/20/1018293120.db2.gz XBHAZCRTLCXWBN-JQHSSLGASA-N 2 0 322.443 3.922 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(COC)o2)c1 ZINC000125674621 1018312669 /nfs/dbraw/zinc/31/26/69/1018312669.db2.gz BTLQVMGAMKFTBP-UHFFFAOYSA-N 2 0 316.445 3.558 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000323275419 1018344824 /nfs/dbraw/zinc/34/48/24/1018344824.db2.gz AAQHPZVNNVJNOM-DYESRHJHSA-N 2 0 308.469 3.748 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000764773418 1018373598 /nfs/dbraw/zinc/37/35/98/1018373598.db2.gz HZZCDECRYNILTN-HZPDHXFCSA-N 2 0 316.445 3.502 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000261630297 1018395680 /nfs/dbraw/zinc/39/56/80/1018395680.db2.gz BFPTVOJIDUYTEK-RRFJBIMHSA-N 2 0 312.910 3.844 20 0 DHADRP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(C)n1 ZINC000080230774 1018405651 /nfs/dbraw/zinc/40/56/51/1018405651.db2.gz CQFCGOJCFOAVOH-CRAIPNDOSA-N 2 0 310.445 3.558 20 0 DHADRP CCc1cccc(F)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000525976878 1018408991 /nfs/dbraw/zinc/40/89/91/1018408991.db2.gz CTYMUFUDYFHFQD-UHFFFAOYSA-N 2 0 306.469 3.940 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000447574149 1018422051 /nfs/dbraw/zinc/42/20/51/1018422051.db2.gz UQRMDUHFVKMFLN-INIZCTEOSA-N 2 0 316.489 3.999 20 0 DHADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447566427 1018426831 /nfs/dbraw/zinc/42/68/31/1018426831.db2.gz SXEQFFXEFFEKDY-FQEVSTJZSA-N 2 0 300.490 3.718 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)c(Cl)c1 ZINC000635011210 1018510919 /nfs/dbraw/zinc/51/09/19/1018510919.db2.gz PNYCREVHOOQYQR-GFCCVEGCSA-N 2 0 318.823 3.976 20 0 DHADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000657766890 1018525528 /nfs/dbraw/zinc/52/55/28/1018525528.db2.gz FPHXSEXDTMVNFZ-IBGZPJMESA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000427690480 1018539094 /nfs/dbraw/zinc/53/90/94/1018539094.db2.gz OMDLCMKSUOLSHX-VQTJNVASSA-N 2 0 302.506 3.964 20 0 DHADRP [NH3+]CC1(CC[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000650713905 1018548858 /nfs/dbraw/zinc/54/88/58/1018548858.db2.gz INRNKTSQAQBQKC-UHFFFAOYSA-N 2 0 301.261 3.645 20 0 DHADRP C[C@H]([NH2+]CC1CC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000527350085 1018554464 /nfs/dbraw/zinc/55/44/64/1018554464.db2.gz HNTJCSATLMMSMA-HNNXBMFYSA-N 2 0 304.478 3.714 20 0 DHADRP CCc1cccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000563712523 1018560662 /nfs/dbraw/zinc/56/06/62/1018560662.db2.gz DHYUHMGZPHBXKK-UHFFFAOYSA-N 2 0 300.421 3.740 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000675771138 1018586853 /nfs/dbraw/zinc/58/68/53/1018586853.db2.gz LLSPSJVVGAMEQV-HXUWFJFHSA-N 2 0 300.490 3.923 20 0 DHADRP CC(C)C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccncc1 ZINC000647300900 1018588872 /nfs/dbraw/zinc/58/88/72/1018588872.db2.gz IXOHLKVXICIFCW-SFHVURJKSA-N 2 0 303.494 3.880 20 0 DHADRP CC(C)CCOc1ccccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675801118 1018595253 /nfs/dbraw/zinc/59/52/53/1018595253.db2.gz WNBVBDOAMFJQHE-QGZVFWFLSA-N 2 0 318.505 3.931 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000675813130 1018599750 /nfs/dbraw/zinc/59/97/50/1018599750.db2.gz GIZQAKUMSJKZSA-XUVXKRRUSA-N 2 0 300.490 3.719 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000566629144 1018606669 /nfs/dbraw/zinc/60/66/69/1018606669.db2.gz ANEFTJDKOMVDKU-HNKHHVNMSA-N 2 0 312.379 3.811 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001171555954 1032775921 /nfs/dbraw/zinc/77/59/21/1032775921.db2.gz FPQPIBCDCZOTFY-LJQANCHMSA-N 2 0 300.490 3.708 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897593 1018619204 /nfs/dbraw/zinc/61/92/04/1018619204.db2.gz GRJKWRMDNORXBH-QAPCUYQASA-N 2 0 322.880 3.525 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCc2ccco2)CCN1Cc1ccccc1 ZINC000657783127 1018630670 /nfs/dbraw/zinc/63/06/70/1018630670.db2.gz QXLWDGAVTNHEMV-HKUYNNGSSA-N 2 0 312.457 3.855 20 0 DHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000650745440 1018640894 /nfs/dbraw/zinc/64/08/94/1018640894.db2.gz GVHCTBWLAMTSPO-SNVBAGLBSA-N 2 0 318.795 3.721 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000926523626 1018654349 /nfs/dbraw/zinc/65/43/49/1018654349.db2.gz DYZKPPRGFKZLGQ-PKOBYXMFSA-N 2 0 310.526 3.538 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(OC)cc1 ZINC000650752163 1018666480 /nfs/dbraw/zinc/66/64/80/1018666480.db2.gz KUAVCQURVVRCRG-SFHVURJKSA-N 2 0 302.393 3.534 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000650758255 1018694812 /nfs/dbraw/zinc/69/48/12/1018694812.db2.gz LWCKJGGXJPKHRZ-SFHVURJKSA-N 2 0 300.833 3.837 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762718 1018708555 /nfs/dbraw/zinc/70/85/55/1018708555.db2.gz IJUGNQUHQOCLBW-GFCCVEGCSA-N 2 0 300.899 3.702 20 0 DHADRP [NH3+]CC1CCC([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000650763908 1018713582 /nfs/dbraw/zinc/71/35/82/1018713582.db2.gz LYPOLSLHUQMEHL-UHFFFAOYSA-N 2 0 312.379 3.802 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763935 1018714462 /nfs/dbraw/zinc/71/44/62/1018714462.db2.gz MLRJONFRFBOOID-KGLIPLIRSA-N 2 0 317.502 3.768 20 0 DHADRP Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001171563869 1032783028 /nfs/dbraw/zinc/78/30/28/1032783028.db2.gz OFGMHSVZVIXCEP-MJGOQNOKSA-N 2 0 300.490 3.693 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000314493090 1018729974 /nfs/dbraw/zinc/72/99/74/1018729974.db2.gz BLMCGYWLIMUEQF-GOEBONIOSA-N 2 0 312.379 3.669 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000765404337 1018777743 /nfs/dbraw/zinc/77/77/43/1018777743.db2.gz DCQFRAVJBDFWGH-LJDSDSDDSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657811454 1018783174 /nfs/dbraw/zinc/78/31/74/1018783174.db2.gz CDZABMXFHWEZPB-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000765450147 1018790112 /nfs/dbraw/zinc/79/01/12/1018790112.db2.gz MDSADXULPSULMS-VXGBXAGGSA-N 2 0 302.434 3.992 20 0 DHADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000765476602 1018800809 /nfs/dbraw/zinc/80/08/09/1018800809.db2.gz YKEWWMOQQNODFF-HXUWFJFHSA-N 2 0 324.468 3.713 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000624267486 1018825570 /nfs/dbraw/zinc/82/55/70/1018825570.db2.gz OIUVPRUNGOGPFZ-ZJOUEHCJSA-N 2 0 321.468 3.711 20 0 DHADRP CCOC1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000657818888 1018870589 /nfs/dbraw/zinc/87/05/89/1018870589.db2.gz YNJKYQQIVLXXDS-UHFFFAOYSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(Cl)cc1Cl ZINC000151543380 1018900399 /nfs/dbraw/zinc/90/03/99/1018900399.db2.gz OCEVEMLAOGGFRG-UEKVPHQBSA-N 2 0 301.261 3.812 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCCc3ccncc32)CC1(C)C ZINC001171629443 1032793839 /nfs/dbraw/zinc/79/38/39/1032793839.db2.gz RGPUSQVHVUYGQS-KRWDZBQOSA-N 2 0 301.478 3.700 20 0 DHADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc2c1OCC2 ZINC000922985843 1018964550 /nfs/dbraw/zinc/96/45/50/1018964550.db2.gz LTMBPTYDQZBUSJ-MAZHCROVSA-N 2 0 320.864 3.552 20 0 DHADRP CCOc1c(Cl)cccc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993988 1032799138 /nfs/dbraw/zinc/79/91/38/1032799138.db2.gz ZVJYXAUGIKJLCY-AWEZNQCLSA-N 2 0 308.853 3.503 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686524 1018980930 /nfs/dbraw/zinc/98/09/30/1018980930.db2.gz YUXOXOICAYTZCN-INMHGKMJSA-N 2 0 320.908 3.765 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc3ncccc3c2)CC1(C)C ZINC001171620135 1032802091 /nfs/dbraw/zinc/80/20/91/1032802091.db2.gz UVJDGLWKSIMLFA-UHFFFAOYSA-N 2 0 311.473 3.976 20 0 DHADRP CN(CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171619782 1032803083 /nfs/dbraw/zinc/80/30/83/1032803083.db2.gz PYXLIDVZAYZGSU-UHFFFAOYSA-N 2 0 317.521 3.754 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168692684 1019060020 /nfs/dbraw/zinc/06/00/20/1019060020.db2.gz RWDCJPAUCYOVHC-GOEBONIOSA-N 2 0 306.881 3.661 20 0 DHADRP Cc1cccc(OCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171623025 1032806259 /nfs/dbraw/zinc/80/62/59/1032806259.db2.gz HVLPIFVHTYIVQB-UHFFFAOYSA-N 2 0 304.478 3.615 20 0 DHADRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc1OC(C)C ZINC000387374821 1019097522 /nfs/dbraw/zinc/09/75/22/1019097522.db2.gz XHVSNZZWEJUSLG-UHFFFAOYSA-N 2 0 322.493 3.692 20 0 DHADRP Cc1ccccc1CN1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657840475 1019104940 /nfs/dbraw/zinc/10/49/40/1019104940.db2.gz RFYDRNZWZAFKJU-UHFFFAOYSA-N 2 0 322.443 3.637 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995073 1032808199 /nfs/dbraw/zinc/80/81/99/1032808199.db2.gz CCNWDAGINOBPSU-QWHCGFSZSA-N 2 0 312.910 3.987 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2nc(C)c(C(C)(C)C)s2)CC1 ZINC000923294291 1019118243 /nfs/dbraw/zinc/11/82/43/1019118243.db2.gz HDFIHKFSWDPNPQ-UHFFFAOYSA-N 2 0 309.523 3.571 20 0 DHADRP FC(F)(F)CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CC1 ZINC000923319684 1019124841 /nfs/dbraw/zinc/12/48/41/1019124841.db2.gz ZDFMGEOHGICFJJ-GOOCMWNKSA-N 2 0 304.400 3.572 20 0 DHADRP [NH3+]CC[C@H]1CN(c2ccc([C@@H]3CCC[NH2+]C3)cc2)c2ccccc21 ZINC001168555654 1019128524 /nfs/dbraw/zinc/12/85/24/1019128524.db2.gz PRELHGUTXBZPOQ-MSOLQXFVSA-N 2 0 321.468 3.738 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C[C@@](C)(C[NH3+])C1 ZINC001168696015 1019135142 /nfs/dbraw/zinc/13/51/42/1019135142.db2.gz DSHRUIOJUZGZTO-YZVOILCLSA-N 2 0 320.908 3.941 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc2ccncc2s1 ZINC000657847728 1019150092 /nfs/dbraw/zinc/15/00/92/1019150092.db2.gz YQWMMFYUBYGLAB-ZDUSSCGKSA-N 2 0 315.486 3.821 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC[N@@H+]1C ZINC000624291260 1019163002 /nfs/dbraw/zinc/16/30/02/1019163002.db2.gz OPXQAEVHEYQAPM-DGCLKSJQSA-N 2 0 323.843 3.575 20 0 DHADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657851736 1019178302 /nfs/dbraw/zinc/17/83/02/1019178302.db2.gz QKKRIJKARPZDSA-LJQANCHMSA-N 2 0 318.530 3.774 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC000081578986 1019208560 /nfs/dbraw/zinc/20/85/60/1019208560.db2.gz KRUCIYBHRLPFFZ-SFHVURJKSA-N 2 0 304.478 3.509 20 0 DHADRP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449955 1019211423 /nfs/dbraw/zinc/21/14/23/1019211423.db2.gz RIFFVJVDBHESKT-IRXDYDNUSA-N 2 0 322.880 3.621 20 0 DHADRP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449954 1019212639 /nfs/dbraw/zinc/21/26/39/1019212639.db2.gz RIFFVJVDBHESKT-IAGOWNOFSA-N 2 0 322.880 3.621 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1F ZINC000657852037 1019231548 /nfs/dbraw/zinc/23/15/48/1019231548.db2.gz SHTATQJCPXNQTR-OAHLLOKOSA-N 2 0 319.449 3.695 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000347927138 1019324817 /nfs/dbraw/zinc/32/48/17/1019324817.db2.gz CBBDQHGQYAEXCI-FUHIMQAGSA-N 2 0 315.505 3.891 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321328734 1019335455 /nfs/dbraw/zinc/33/54/55/1019335455.db2.gz STCRATKZLPMBMS-FRFSOERESA-N 2 0 324.415 3.813 20 0 DHADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000166479168 1019373915 /nfs/dbraw/zinc/37/39/15/1019373915.db2.gz XCUKNJCAJVFLIH-LSDHHAIUSA-N 2 0 306.881 3.834 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161618338 1019468409 /nfs/dbraw/zinc/46/84/09/1019468409.db2.gz ZFELQRUVXSKXQX-QRVBRYPASA-N 2 0 304.453 3.609 20 0 DHADRP CCCC[NH+]1CCC(N(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641145 1032834791 /nfs/dbraw/zinc/83/47/91/1032834791.db2.gz NAYWOAYPCGYPJM-UHFFFAOYSA-N 2 0 323.569 3.834 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001171682863 1032835482 /nfs/dbraw/zinc/83/54/82/1032835482.db2.gz XNASKCYBIGBCKV-KRWDZBQOSA-N 2 0 300.490 3.875 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001171637912 1032837098 /nfs/dbraw/zinc/83/70/98/1032837098.db2.gz SIFMYIHVMDZOMV-GFCCVEGCSA-N 2 0 306.416 3.912 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cn2)c1 ZINC000092746253 1019542763 /nfs/dbraw/zinc/54/27/63/1019542763.db2.gz XRPVPRJNUXCXOR-AWEZNQCLSA-N 2 0 301.409 3.523 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000093844539 1019589360 /nfs/dbraw/zinc/58/93/60/1019589360.db2.gz JZMGWTBKZPGBSX-KRWDZBQOSA-N 2 0 303.494 3.502 20 0 DHADRP C[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657339236 1019733104 /nfs/dbraw/zinc/73/31/04/1019733104.db2.gz PQKOGCSYOSHPES-MRXNPFEDSA-N 2 0 306.413 3.551 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657336494 1019733324 /nfs/dbraw/zinc/73/33/24/1019733324.db2.gz UJWKNTDLPDDUOB-UHFFFAOYSA-N 2 0 320.440 3.643 20 0 DHADRP C([C@H]1CCCO1)N1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657360330 1019737824 /nfs/dbraw/zinc/73/78/24/1019737824.db2.gz CKJKIPXTYWKZTK-AFMYVXGZSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000647343615 1019764226 /nfs/dbraw/zinc/76/42/26/1019764226.db2.gz XXWKULPHJXYRBY-CVAIRZPRSA-N 2 0 312.432 3.822 20 0 DHADRP COCCC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000282258274 1019776354 /nfs/dbraw/zinc/77/63/54/1019776354.db2.gz JVGWJTDNLYFUJI-GOSISDBHSA-N 2 0 322.468 3.615 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1Cl ZINC000166777416 1019818915 /nfs/dbraw/zinc/81/89/15/1019818915.db2.gz JIWKFIZZIIXWLT-BZUAXINKSA-N 2 0 322.880 3.714 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000565227133 1019827909 /nfs/dbraw/zinc/82/79/09/1019827909.db2.gz RNUWRSSJJBIRLC-HUUCEWRRSA-N 2 0 312.379 3.597 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCCCCOc2ccccc2)C1 ZINC000685470740 1019856503 /nfs/dbraw/zinc/85/65/03/1019856503.db2.gz NOGXEVKXRDNRGT-UYAOXDASSA-N 2 0 316.489 3.652 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000708564397 1019881039 /nfs/dbraw/zinc/88/10/39/1019881039.db2.gz VEVGPSPJSLPRQY-BWPNAZKDSA-N 2 0 300.490 3.923 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)s2)[C@H](C)C1 ZINC000151941598 1019881713 /nfs/dbraw/zinc/88/17/13/1019881713.db2.gz WFWGHXJQPHIAEA-PVAVHDDUSA-N 2 0 324.534 3.844 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)CCN1Cc1ccccc1 ZINC000657901227 1019894332 /nfs/dbraw/zinc/89/43/32/1019894332.db2.gz PNRWOPDYURMQSH-NVXWUHKLSA-N 2 0 322.443 3.717 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000671749903 1019928653 /nfs/dbraw/zinc/92/86/53/1019928653.db2.gz IQFGOLILNUOQCR-XFIYOXNOSA-N 2 0 318.427 3.818 20 0 DHADRP Cc1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000685566722 1019953767 /nfs/dbraw/zinc/95/37/67/1019953767.db2.gz FUWWLNRIRRRZRY-OAHLLOKOSA-N 2 0 319.493 3.768 20 0 DHADRP CCC[C@H](C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000858381434 1032869680 /nfs/dbraw/zinc/86/96/80/1032869680.db2.gz PZFASINPWJUAGS-XEYPJELSSA-N 2 0 324.553 3.949 20 0 DHADRP Cc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813527 1020033561 /nfs/dbraw/zinc/03/35/61/1020033561.db2.gz QKJFKRBYFAJMIS-KRWDZBQOSA-N 2 0 300.490 3.638 20 0 DHADRP CCOC1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000657969685 1020047267 /nfs/dbraw/zinc/04/72/67/1020047267.db2.gz SZQWQIHZSOILDM-XNYRCJLNSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069531 1020128451 /nfs/dbraw/zinc/12/84/51/1020128451.db2.gz GQEVKHZLTWCMEX-MRXNPFEDSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1ccsc1[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069959 1020128601 /nfs/dbraw/zinc/12/86/01/1020128601.db2.gz SDEKEYMTRNOQMP-HNNXBMFYSA-N 2 0 322.518 3.598 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068251 1020129685 /nfs/dbraw/zinc/12/96/85/1020129685.db2.gz BWZYABAKWNZTTO-KRWDZBQOSA-N 2 0 308.510 3.602 20 0 DHADRP Cc1ccccc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309841403 1020133227 /nfs/dbraw/zinc/13/32/27/1020133227.db2.gz WFXSOFRUYSLNJA-OAQYLSRUSA-N 2 0 308.469 3.997 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)C1 ZINC000658095590 1020140556 /nfs/dbraw/zinc/14/05/56/1020140556.db2.gz JFZWNEPJHDHYMH-KURKYZTESA-N 2 0 315.505 3.879 20 0 DHADRP Cc1cc(F)ccc1C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658088583 1020149424 /nfs/dbraw/zinc/14/94/24/1020149424.db2.gz BFEDKDWFHHCROC-HNNXBMFYSA-N 2 0 304.453 3.529 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000658167414 1020200363 /nfs/dbraw/zinc/20/03/63/1020200363.db2.gz OUXBBJRJVWRNDD-SFHVURJKSA-N 2 0 323.484 3.953 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171783740 1032885858 /nfs/dbraw/zinc/88/58/58/1032885858.db2.gz VFQVQAYMSGJTGA-CGZBRXJRSA-N 2 0 304.453 3.536 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171783739 1032885928 /nfs/dbraw/zinc/88/59/28/1032885928.db2.gz VFQVQAYMSGJTGA-AQFXKWCLSA-N 2 0 304.453 3.536 20 0 DHADRP FC1(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000673611702 1020242881 /nfs/dbraw/zinc/24/28/81/1020242881.db2.gz HEFUOFIMIILGDC-UHFFFAOYSA-N 2 0 320.452 3.533 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658250119 1020255703 /nfs/dbraw/zinc/25/57/03/1020255703.db2.gz AXBXARYINCEGKN-DLBZAZTESA-N 2 0 308.510 3.575 20 0 DHADRP c1ccc(OC2CC2)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000347730226 1020256593 /nfs/dbraw/zinc/25/65/93/1020256593.db2.gz GRVNFEIYOPFCJY-UHFFFAOYSA-N 2 0 314.473 3.536 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658250801 1020259185 /nfs/dbraw/zinc/25/91/85/1020259185.db2.gz DBQZAYUPBDDFSY-QZTJIDSGSA-N 2 0 320.521 3.577 20 0 DHADRP COc1ccc([C@H](NCC[C@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000658235024 1020259381 /nfs/dbraw/zinc/25/93/81/1020259381.db2.gz CILDAGRBMVFGMK-TZIWHRDSSA-N 2 0 324.468 3.859 20 0 DHADRP COc1cc(C)ccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922845739 1020304460 /nfs/dbraw/zinc/30/44/60/1020304460.db2.gz SMEXWOYZMIYRHY-UHFFFAOYSA-N 2 0 302.462 3.500 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]C3CCC(C)([NH+]4CCC4)CC3)cc21 ZINC000922847295 1020306230 /nfs/dbraw/zinc/30/62/30/1020306230.db2.gz ZGYLNIXFMPOJKQ-UHFFFAOYSA-N 2 0 311.473 3.973 20 0 DHADRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(C)c1 ZINC000922845164 1020309327 /nfs/dbraw/zinc/30/93/27/1020309327.db2.gz CFGPMYOUOMJKRW-UHFFFAOYSA-N 2 0 302.462 3.500 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000658355029 1020320203 /nfs/dbraw/zinc/32/02/03/1020320203.db2.gz GVRWSBRATJGFSH-LJQANCHMSA-N 2 0 301.478 3.634 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421821512 1020322989 /nfs/dbraw/zinc/32/29/89/1020322989.db2.gz RVFKUMKDWNYKFQ-HKUYNNGSSA-N 2 0 315.505 3.573 20 0 DHADRP C[N@@H+]1CCCC[C@@H](CNCc2cnc(-c3ccccc3)s2)C1 ZINC000623655623 1020340485 /nfs/dbraw/zinc/34/04/85/1020340485.db2.gz AMLMDVVQKOTONN-HNNXBMFYSA-N 2 0 315.486 3.632 20 0 DHADRP CCC[C@H](C)CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000625117377 1020376794 /nfs/dbraw/zinc/37/67/94/1020376794.db2.gz DFLIZPVNVHTGOG-XUVXKRRUSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1csc(C(F)(F)F)c1 ZINC000926667015 1020547849 /nfs/dbraw/zinc/54/78/49/1020547849.db2.gz XNTMECVSQRAHDG-FOGDFJRCSA-N 2 0 306.397 3.758 20 0 DHADRP c1ccc(OCCCC[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000668783369 1020697580 /nfs/dbraw/zinc/69/75/80/1020697580.db2.gz NVHQHUKWBPACNW-UHFFFAOYSA-N 2 0 316.489 3.557 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000668783739 1020698486 /nfs/dbraw/zinc/69/84/86/1020698486.db2.gz UPICGDPTKMYRQF-SJORKVTESA-N 2 0 310.551 3.618 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171966058 1032936117 /nfs/dbraw/zinc/93/61/17/1032936117.db2.gz SGQCMDLWHKSGJY-FQEVSTJZSA-N 2 0 323.484 3.657 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCn2cccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171965636 1032933632 /nfs/dbraw/zinc/93/36/32/1032933632.db2.gz IOXAZOVJPAIJBK-IBGZPJMESA-N 2 0 311.473 3.521 20 0 DHADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000414065125 1020835403 /nfs/dbraw/zinc/83/54/03/1020835403.db2.gz FNGFMNJYZHKLPM-SJORKVTESA-N 2 0 308.510 3.575 20 0 DHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000414065123 1020836209 /nfs/dbraw/zinc/83/62/09/1020836209.db2.gz FNGFMNJYZHKLPM-IRXDYDNUSA-N 2 0 308.510 3.575 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2CN(Cc3ccccc3)C2)CC(C)(C)C1 ZINC000716280044 1020843830 /nfs/dbraw/zinc/84/38/30/1020843830.db2.gz MSBPXCCFNQLXOY-APWZRJJASA-N 2 0 300.490 3.923 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414072391 1020848053 /nfs/dbraw/zinc/84/80/53/1020848053.db2.gz MMKDIBVWQYNPHT-QGPMSJSTSA-N 2 0 306.881 3.908 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414079960 1020859544 /nfs/dbraw/zinc/85/95/44/1020859544.db2.gz SIIUDYBITYCWJF-INIZCTEOSA-N 2 0 304.478 3.776 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)CCC[NH+](C)C ZINC001171967767 1032938580 /nfs/dbraw/zinc/93/85/80/1032938580.db2.gz BIBCDZUFLXBZMB-CYBMUJFWSA-N 2 0 302.384 3.520 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000414123893 1020915454 /nfs/dbraw/zinc/91/54/54/1020915454.db2.gz BRUHCRNSZXMHGO-SJJHQCBESA-N 2 0 308.510 3.575 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000414132730 1020922350 /nfs/dbraw/zinc/92/23/50/1020922350.db2.gz ZVLLWZHDLBXJSD-DLBZAZTESA-N 2 0 304.478 3.775 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414168561 1020956633 /nfs/dbraw/zinc/95/66/33/1020956633.db2.gz AMHMHQGTTKDHDO-XLIONFOSSA-N 2 0 300.490 3.638 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000414169282 1020958457 /nfs/dbraw/zinc/95/84/57/1020958457.db2.gz BAMSPSQNDFWIEK-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000414173589 1020961492 /nfs/dbraw/zinc/96/14/92/1020961492.db2.gz FWZOBHSYGACZGM-MNOVXSKESA-N 2 0 321.412 3.544 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000414173588 1020962024 /nfs/dbraw/zinc/96/20/24/1020962024.db2.gz FWZOBHSYGACZGM-GHMZBOCLSA-N 2 0 321.412 3.544 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]CC[C@H]3CCC[N@H+](C)C3)oc21 ZINC000414194195 1020982798 /nfs/dbraw/zinc/98/27/98/1020982798.db2.gz ULVPCBNULFRUJN-LSDHHAIUSA-N 2 0 316.445 3.824 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000414231595 1021018294 /nfs/dbraw/zinc/01/82/94/1021018294.db2.gz HJGPSEQCKINLKP-KXBFYZLASA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000537948285 1032949318 /nfs/dbraw/zinc/94/93/18/1032949318.db2.gz FSWKRABPJLWGGJ-IEBWSBKVSA-N 2 0 320.546 3.876 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000892584059 1021036155 /nfs/dbraw/zinc/03/61/55/1021036155.db2.gz HBHIIEUFRDQYGY-MRXNPFEDSA-N 2 0 320.525 3.683 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)OCC3CC3)CC2)C1 ZINC000414269501 1021047740 /nfs/dbraw/zinc/04/77/40/1021047740.db2.gz OPBXFGHWLNPWNI-APWZRJJASA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000537946682 1032956267 /nfs/dbraw/zinc/95/62/67/1032956267.db2.gz PUHJREGDDVZVGG-BEFAXECRSA-N 2 0 304.453 3.771 20 0 DHADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(F)(F)F ZINC000668829460 1021160067 /nfs/dbraw/zinc/16/00/67/1021160067.db2.gz SQKCKRVWZNIFNQ-UHFFFAOYSA-N 2 0 315.383 3.619 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccnn1-c1ccccc1 ZINC000423296178 1021166295 /nfs/dbraw/zinc/16/62/95/1021166295.db2.gz YOIRCXBIESNSMF-JKSUJKDBSA-N 2 0 320.440 3.743 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC001171976503 1032959597 /nfs/dbraw/zinc/95/95/97/1032959597.db2.gz SDAHJYIMUYEKOV-ZWKOTPCHSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423358639 1021186846 /nfs/dbraw/zinc/18/68/46/1021186846.db2.gz CBMWUDHEDZIAII-SOUVJXGZSA-N 2 0 323.278 3.604 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000250895203 1021194387 /nfs/dbraw/zinc/19/43/87/1021194387.db2.gz ITKDTERLKZVPGH-MAZHCROVSA-N 2 0 323.278 3.727 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000423405705 1021197235 /nfs/dbraw/zinc/19/72/35/1021197235.db2.gz YIPYQOBWHGSERI-WCQGTBRESA-N 2 0 318.795 3.862 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423403914 1021197834 /nfs/dbraw/zinc/19/78/34/1021197834.db2.gz XKMOWRDONBHFQI-FDBUDWNGSA-N 2 0 316.489 3.822 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cccc(Br)c21 ZINC000423407303 1021197903 /nfs/dbraw/zinc/19/79/03/1021197903.db2.gz ZTNMGWTURHDFSB-YXMPFFBPSA-N 2 0 323.278 3.857 20 0 DHADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414400687 1021202294 /nfs/dbraw/zinc/20/22/94/1021202294.db2.gz VFSKPKWUBHXXBM-DZGCQCFKSA-N 2 0 314.395 3.928 20 0 DHADRP COC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171978331 1032967903 /nfs/dbraw/zinc/96/79/03/1032967903.db2.gz YBMGDWAIGJIETE-GOSISDBHSA-N 2 0 316.489 3.540 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090941072 1021255334 /nfs/dbraw/zinc/25/53/34/1021255334.db2.gz FBQAHQIPHNBCND-JKIFEVAISA-N 2 0 306.881 3.690 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC(C(F)(F)F)CC1 ZINC000423545136 1021271111 /nfs/dbraw/zinc/27/11/11/1021271111.db2.gz OULPMFMUZVKFSJ-JMDIOJQTSA-N 2 0 318.427 3.721 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000926796152 1021277280 /nfs/dbraw/zinc/27/72/80/1021277280.db2.gz IYFNHOZLCPOMIA-YAJUMTOWSA-N 2 0 307.869 3.575 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000624119496 1021346486 /nfs/dbraw/zinc/34/64/86/1021346486.db2.gz CZZUDAAWIOUZNS-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092856907 1021490889 /nfs/dbraw/zinc/49/08/89/1021490889.db2.gz QNEOGZBWYPQUOF-KRWDZBQOSA-N 2 0 309.457 3.957 20 0 DHADRP COC[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093337860 1021564961 /nfs/dbraw/zinc/56/49/61/1021564961.db2.gz FJGOOIXGCINVSB-LJQANCHMSA-N 2 0 318.505 3.503 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2C=CCC2)ccc1OC ZINC000850510941 1021568952 /nfs/dbraw/zinc/56/89/52/1021568952.db2.gz YBZFSUBJPUDDNG-QAPCUYQASA-N 2 0 302.462 3.906 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000070169308 1021577561 /nfs/dbraw/zinc/57/75/61/1021577561.db2.gz NQDMOVAQAFFMGZ-LBPRGKRZSA-N 2 0 318.408 3.859 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000415013303 1021610521 /nfs/dbraw/zinc/61/05/21/1021610521.db2.gz KKSFZJBZAMLEFJ-SNVBAGLBSA-N 2 0 319.674 3.710 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)CC[N@@H+]1C ZINC000556221360 1021619357 /nfs/dbraw/zinc/61/93/57/1021619357.db2.gz NFYXCDYOBDIMNO-VNQPRFMTSA-N 2 0 314.395 3.795 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cccc(F)c1)C2 ZINC001172126669 1032992442 /nfs/dbraw/zinc/99/24/42/1032992442.db2.gz XXFMHIGPOLSKCB-MANSERQUSA-N 2 0 302.437 3.978 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cnn(C2CCCC2)c1 ZINC000337447135 1033000916 /nfs/dbraw/zinc/00/09/16/1033000916.db2.gz GYHJAELYGGPLJS-OAHLLOKOSA-N 2 0 316.493 3.523 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000892948243 1021718563 /nfs/dbraw/zinc/71/85/63/1021718563.db2.gz OUSJSPSFOOOFQO-NRFANRHFSA-N 2 0 324.468 3.716 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCc1ccc(Cl)cc1)C2 ZINC001172103735 1033006780 /nfs/dbraw/zinc/00/67/80/1033006780.db2.gz XBIGFODQNGUYFC-NNZMDNLPSA-N 2 0 306.881 3.878 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cc(F)cc3F)C2 ZINC001172104933 1033007102 /nfs/dbraw/zinc/00/71/02/1033007102.db2.gz FAZGUUWBUHKIRK-ZUMXRPEOSA-N 2 0 306.400 3.557 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182736507 1021791302 /nfs/dbraw/zinc/79/13/02/1021791302.db2.gz WRSGIEDQVDTIKD-FQEVSTJZSA-N 2 0 318.505 3.554 20 0 DHADRP C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1cnn(C2CCCC2)c1 ZINC000337460171 1033008633 /nfs/dbraw/zinc/00/86/33/1033008633.db2.gz KDCOPKWNEMMNBD-INIZCTEOSA-N 2 0 318.509 3.771 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1cccc(F)c1)C2 ZINC001172111276 1033008911 /nfs/dbraw/zinc/00/89/11/1033008911.db2.gz PLDZLGGHVRKCNR-LDLYASANSA-N 2 0 318.480 3.999 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163200527 1021829977 /nfs/dbraw/zinc/82/99/77/1021829977.db2.gz HEYUIQSNNXFSQS-OSAQELSMSA-N 2 0 311.267 3.569 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1C(F)(F)F ZINC000538244210 1033013686 /nfs/dbraw/zinc/01/36/86/1033013686.db2.gz HZKUVROAVTWVHM-CHWSQXEVSA-N 2 0 300.368 3.840 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000556867862 1021911957 /nfs/dbraw/zinc/91/19/57/1021911957.db2.gz AXNYABORASJRST-SQNIBIBYSA-N 2 0 318.892 3.834 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1Cl ZINC000556879017 1021922991 /nfs/dbraw/zinc/92/29/91/1021922991.db2.gz CXEVKPGOHXVEDE-OIISXLGYSA-N 2 0 322.880 3.701 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1ccc(Cl)cc1 ZINC000556878296 1021923592 /nfs/dbraw/zinc/92/35/92/1021923592.db2.gz LJAVRUBRBAPBBK-VIBAHUMZSA-N 2 0 322.880 3.570 20 0 DHADRP COc1c(F)cccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115740 1033016711 /nfs/dbraw/zinc/01/67/11/1033016711.db2.gz ZTGWXKWXIYGOKU-XQLPTFJDSA-N 2 0 306.425 3.500 20 0 DHADRP FC(F)(F)c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000262452724 1021941927 /nfs/dbraw/zinc/94/19/27/1021941927.db2.gz HXPADZJYFYWWAH-CQSZACIVSA-N 2 0 312.379 3.669 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934500 1021957570 /nfs/dbraw/zinc/95/75/70/1021957570.db2.gz WFFVOPVIRJMDQK-KPFFTGBYSA-N 2 0 322.537 3.560 20 0 DHADRP CCCCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000155147506 1021993593 /nfs/dbraw/zinc/99/35/93/1021993593.db2.gz NOSNQRQCIIVTAB-ICSRJNTNSA-N 2 0 317.521 3.534 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172111490 1033020780 /nfs/dbraw/zinc/02/07/80/1033020780.db2.gz RQQBROVDODVOKL-DZJNRPSUSA-N 2 0 324.472 3.758 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CC[C@@H](OC)C2)CC1)CC(C)C ZINC000851892654 1022030079 /nfs/dbraw/zinc/03/00/79/1022030079.db2.gz PKJQJKJOHALIMF-RTBURBONSA-N 2 0 310.526 3.634 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000390641045 1022074028 /nfs/dbraw/zinc/07/40/28/1022074028.db2.gz PUPSXYNSUYZFIO-FQEVSTJZSA-N 2 0 300.490 3.816 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CSc2ccccc2C1 ZINC001172184607 1033028949 /nfs/dbraw/zinc/02/89/49/1033028949.db2.gz NZMSVISMICQHDJ-OAHLLOKOSA-N 2 0 304.503 3.684 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H](C)SC)ccc1OC ZINC000183378088 1022123603 /nfs/dbraw/zinc/12/36/03/1022123603.db2.gz NMIUMGDAIJEOGD-HUUCEWRRSA-N 2 0 324.534 3.939 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205994354 1022154533 /nfs/dbraw/zinc/15/45/33/1022154533.db2.gz LCTQNNOMGDANTN-DGCLKSJQSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cncc(F)c1 ZINC000766512748 1022162988 /nfs/dbraw/zinc/16/29/88/1022162988.db2.gz MIEFEQXXQGEJIS-RWBZWWBESA-N 2 0 305.441 3.668 20 0 DHADRP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659943326 1022228031 /nfs/dbraw/zinc/22/80/31/1022228031.db2.gz BGTMEDLTQUZITF-OALUTQOASA-N 2 0 308.510 3.532 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001169049440 1022228866 /nfs/dbraw/zinc/22/88/66/1022228866.db2.gz HRZXRUGLGRYWEH-VQTJNVASSA-N 2 0 302.506 3.965 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C[NH3+])c3cc(Cl)ccc31)C2 ZINC001169102288 1022247875 /nfs/dbraw/zinc/24/78/75/1022247875.db2.gz YYYCOCTWKHBRNN-QDMKHBRRSA-N 2 0 303.837 3.551 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccc(F)cc3)CCC1)C2 ZINC001169118585 1022258174 /nfs/dbraw/zinc/25/81/74/1022258174.db2.gz KYXILPJXBARGIJ-LDLYASANSA-N 2 0 316.464 3.753 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccc(Cl)c3)CC1)C2 ZINC001169116637 1022259264 /nfs/dbraw/zinc/25/92/64/1022259264.db2.gz RMPRETSLCRWUSP-BCDXTJNWSA-N 2 0 318.892 3.878 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C=Cc4ccccc43)CC1)C2 ZINC001169129045 1022261813 /nfs/dbraw/zinc/26/18/13/1022261813.db2.gz GRFUDDDDHZZZGQ-BWTSREIZSA-N 2 0 308.469 3.672 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1c1ccccc1)C2 ZINC001169111373 1022269582 /nfs/dbraw/zinc/26/95/82/1022269582.db2.gz PIFYUFDIIIHFIE-NTHNXFDUSA-N 2 0 310.485 3.784 20 0 DHADRP COc1cccc([C@H]2CCCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169141368 1022271388 /nfs/dbraw/zinc/27/13/88/1022271388.db2.gz QGLWTKJCACJFTD-AJYBTWMASA-N 2 0 314.473 3.847 20 0 DHADRP Cc1[nH]c2ccc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2[nH+]1 ZINC001169147167 1022277418 /nfs/dbraw/zinc/27/74/18/1022277418.db2.gz SQJDETSWRIQFEB-RDTXWAMCSA-N 2 0 300.450 3.827 20 0 DHADRP Cn1ccc2c1[nH+]ccc2N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169151243 1022281905 /nfs/dbraw/zinc/28/19/05/1022281905.db2.gz HKJGEBFAFZKKCT-ACJLOTCBSA-N 2 0 300.450 3.529 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@H]2CSc3ccccc3C2)CC1 ZINC001172209166 1033043838 /nfs/dbraw/zinc/04/38/38/1033043838.db2.gz ZLRMKLMAESEIGK-GOSISDBHSA-N 2 0 318.530 3.900 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2c3ccccc3-c3ccccc32)CC1 ZINC001169241484 1022321767 /nfs/dbraw/zinc/32/17/67/1022321767.db2.gz LQHXQVZNKASAIJ-UHFFFAOYSA-N 2 0 306.453 3.873 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660006488 1022335926 /nfs/dbraw/zinc/33/59/26/1022335926.db2.gz OTHWPUWPZROTJC-FUHWJXTLSA-N 2 0 308.510 3.530 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000163238813 1022345037 /nfs/dbraw/zinc/34/50/37/1022345037.db2.gz NRNZXJKSCYIPQD-JKSUJKDBSA-N 2 0 312.457 3.841 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)[C@H](C)C1 ZINC000155907990 1022426813 /nfs/dbraw/zinc/42/68/13/1022426813.db2.gz FSBGEHRDKWOMAD-APWZRJJASA-N 2 0 318.505 3.822 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)[C@H](C)C1 ZINC000155908113 1022427860 /nfs/dbraw/zinc/42/78/60/1022427860.db2.gz FSBGEHRDKWOMAD-VQIMIIECSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)c1cccnc1 ZINC000155978208 1022430788 /nfs/dbraw/zinc/43/07/88/1022430788.db2.gz IILMNRNSFIEUBA-PXNSSMCTSA-N 2 0 309.457 3.787 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000671098972 1022440557 /nfs/dbraw/zinc/44/05/57/1022440557.db2.gz ZABYKGYFBAQXNX-DLBZAZTESA-N 2 0 318.505 3.822 20 0 DHADRP c1ccc2c(c1)C[C@H]([NH2+]CCCCC[NH+]1CCCC1)CS2 ZINC001172197803 1033056262 /nfs/dbraw/zinc/05/62/62/1033056262.db2.gz QKNMXCPNRWTXQE-KRWDZBQOSA-N 2 0 304.503 3.559 20 0 DHADRP CC(C)CCOCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000615455167 1022481516 /nfs/dbraw/zinc/48/15/16/1022481516.db2.gz HNKSNNDTSHTZLV-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271833243 1022483975 /nfs/dbraw/zinc/48/39/75/1022483975.db2.gz FFHGSFRAZFYVOZ-INIZCTEOSA-N 2 0 302.462 3.634 20 0 DHADRP CCSCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272399708 1022501300 /nfs/dbraw/zinc/50/13/00/1022501300.db2.gz DNWHARYCTZWLQR-SJLPKXTDSA-N 2 0 306.519 3.630 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cnccc1/C=C/[NH+](C)C ZINC001169689564 1022501595 /nfs/dbraw/zinc/50/15/95/1022501595.db2.gz LDNXRTYDLNPPIR-ZPHJMFTNSA-N 2 0 322.456 3.854 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CSc2ccccc2C1)CC(C)(C)CC[NH3+] ZINC001172201129 1033059187 /nfs/dbraw/zinc/05/91/87/1033059187.db2.gz MILBXNWPTPMBCB-GDBMZVCRSA-N 2 0 306.519 3.694 20 0 DHADRP CSc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000641706495 1022509224 /nfs/dbraw/zinc/50/92/24/1022509224.db2.gz DDCJIUXMEBIJME-UHFFFAOYSA-N 2 0 316.470 3.887 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000274408170 1022566998 /nfs/dbraw/zinc/56/69/98/1022566998.db2.gz HKXRFECXVFUOKO-UHFFFAOYSA-N 2 0 316.420 3.663 20 0 DHADRP Cc1ccccc1SC[C@H](C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000859072853 1033062710 /nfs/dbraw/zinc/06/27/10/1033062710.db2.gz AZBTZEWWHGCXMJ-OAHLLOKOSA-N 2 0 306.519 3.749 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C)c(C)c1 ZINC001172247022 1033068090 /nfs/dbraw/zinc/06/80/90/1033068090.db2.gz AEJGMYSGEBLSFT-HXUWFJFHSA-N 2 0 318.505 3.845 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC)C1CCOCC1 ZINC000584695440 1022631768 /nfs/dbraw/zinc/63/17/68/1022631768.db2.gz CZSJXNNLSUJHMG-FHWLQOOXSA-N 2 0 310.526 3.682 20 0 DHADRP COCCCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158837821 1022669650 /nfs/dbraw/zinc/66/96/50/1022669650.db2.gz QNFXIDOYLKAOCI-GOSISDBHSA-N 2 0 310.526 3.780 20 0 DHADRP CCC(CC)[C@H](NC[C@H](O)C[N@H+](C)C(C)C)c1cccs1 ZINC000660190517 1022680357 /nfs/dbraw/zinc/68/03/57/1022680357.db2.gz WRVJHIFNWPMEOF-RDJZCZTQSA-N 2 0 312.523 3.516 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000767346344 1022694187 /nfs/dbraw/zinc/69/41/87/1022694187.db2.gz JHWUFDQLNNLHOK-DLBZAZTESA-N 2 0 322.880 3.668 20 0 DHADRP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)C ZINC000417383195 1022718327 /nfs/dbraw/zinc/71/83/27/1022718327.db2.gz WXBFVACBPCEGPZ-RLLQIKCJSA-N 2 0 318.505 3.548 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000584774414 1022731298 /nfs/dbraw/zinc/73/12/98/1022731298.db2.gz RIJROAJIRBPMMC-LBPRGKRZSA-N 2 0 302.434 3.694 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172332089 1033077793 /nfs/dbraw/zinc/07/77/93/1033077793.db2.gz CTFRDNNSTNEYDW-IRXDYDNUSA-N 2 0 312.542 3.928 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000132917415 1033082966 /nfs/dbraw/zinc/08/29/66/1033082966.db2.gz IFWKFQNYSSRTFR-IAGOWNOFSA-N 2 0 316.489 3.579 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621734502 1022842385 /nfs/dbraw/zinc/84/23/85/1022842385.db2.gz OOPSTOBHBSCYEL-FMKPAKJESA-N 2 0 300.437 3.664 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H]3CC3(F)F)CC2)C1 ZINC000621734931 1022848029 /nfs/dbraw/zinc/84/80/29/1022848029.db2.gz ZVSXXIFNTFTJBT-YCPHGPKFSA-N 2 0 300.437 3.664 20 0 DHADRP CCC[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893323970 1022877626 /nfs/dbraw/zinc/87/76/26/1022877626.db2.gz MKDOGHUXUYRDTQ-UHFFFAOYSA-N 2 0 308.416 3.675 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)CC[N@@H+]1C ZINC000159302024 1022897353 /nfs/dbraw/zinc/89/73/53/1022897353.db2.gz CZVVAQXJHOTVTF-YJBOKZPZSA-N 2 0 304.453 3.710 20 0 DHADRP FC(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925640016 1022923276 /nfs/dbraw/zinc/92/32/76/1022923276.db2.gz PZMDDPLMXWMIRV-SJORKVTESA-N 2 0 308.416 3.882 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000165301058 1022974981 /nfs/dbraw/zinc/97/49/81/1022974981.db2.gz MFPMQPIEVIPUMG-FUHWJXTLSA-N 2 0 314.498 3.963 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000165337631 1022977890 /nfs/dbraw/zinc/97/78/90/1022977890.db2.gz VWNGQQAMWKZPHU-HKUYNNGSSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000165340775 1022979573 /nfs/dbraw/zinc/97/95/73/1022979573.db2.gz BRSVLVDKFHOCEJ-UYAOXDASSA-N 2 0 300.490 3.575 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000859212767 1033100184 /nfs/dbraw/zinc/10/01/84/1033100184.db2.gz OSKAYRXBLYIHDW-OAHLLOKOSA-N 2 0 315.288 3.764 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000296050822 1023001511 /nfs/dbraw/zinc/00/15/11/1023001511.db2.gz VCYNFVRVWFLMKH-GVZPALNKSA-N 2 0 312.379 3.981 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(N2CCCCC2)c1 ZINC001167752917 1023038643 /nfs/dbraw/zinc/03/86/43/1023038643.db2.gz ISNGFAVDKSZEBH-KRWDZBQOSA-N 2 0 316.493 3.748 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCN([C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925685034 1023136096 /nfs/dbraw/zinc/13/60/96/1023136096.db2.gz CUGGZPVYKVMVKS-IRXDYDNUSA-N 2 0 323.569 3.725 20 0 DHADRP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCCCC2)CCN1C ZINC000769484210 1023152986 /nfs/dbraw/zinc/15/29/86/1023152986.db2.gz GIWHXAZKEKGQSA-PKOBYXMFSA-N 2 0 315.505 3.591 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000769873982 1023237760 /nfs/dbraw/zinc/23/77/60/1023237760.db2.gz RUCPBXJNGKUSGH-OAHLLOKOSA-N 2 0 321.509 3.954 20 0 DHADRP CC(C)OC1CC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000769996839 1023259202 /nfs/dbraw/zinc/25/92/02/1023259202.db2.gz URJKNRFRANELSW-UHFFFAOYSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001172337299 1033120781 /nfs/dbraw/zinc/12/07/81/1033120781.db2.gz PNHYTVHPRJZTII-IRXDYDNUSA-N 2 0 310.526 3.967 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000194836707 1023325874 /nfs/dbraw/zinc/32/58/74/1023325874.db2.gz LOYIQZBMAFQUBC-FQEVSTJZSA-N 2 0 324.468 3.924 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172341585 1033125168 /nfs/dbraw/zinc/12/51/68/1033125168.db2.gz HGBXCMAAPDZIQN-KSZLIROESA-N 2 0 306.494 3.677 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001172341097 1033126036 /nfs/dbraw/zinc/12/60/36/1033126036.db2.gz MMZLBPYNBZXWJT-SJORKVTESA-N 2 0 310.526 3.634 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc3cnccc3o2)c1 ZINC000651689356 1023467206 /nfs/dbraw/zinc/46/72/06/1023467206.db2.gz REFOCZURVAGUOE-UHFFFAOYSA-N 2 0 323.440 3.958 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)[C@@H](C)C1 ZINC000876764997 1033137993 /nfs/dbraw/zinc/13/79/93/1033137993.db2.gz ROWNIZQSSJYHAJ-WFASDCNBSA-N 2 0 321.852 3.643 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C[C@H]1C ZINC001172367279 1033146408 /nfs/dbraw/zinc/14/64/08/1033146408.db2.gz LKOSGEPMQAGYBW-JFIYKMOQSA-N 2 0 304.478 3.541 20 0 DHADRP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)cc1 ZINC001172366873 1033146472 /nfs/dbraw/zinc/14/64/72/1033146472.db2.gz IFNIQAIJBNLBFI-SOLBZPMBSA-N 2 0 316.489 3.770 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)C[C@H]1C ZINC000538738493 1033156089 /nfs/dbraw/zinc/15/60/89/1033156089.db2.gz YUZMNGXCVVTVBI-SJLPKXTDSA-N 2 0 304.478 3.617 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000652266587 1023723731 /nfs/dbraw/zinc/72/37/31/1023723731.db2.gz GVWAYPUTMXFMLA-DYVFJYSZSA-N 2 0 320.452 3.748 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)C[C@@H]1C ZINC000538738492 1033157087 /nfs/dbraw/zinc/15/70/87/1033157087.db2.gz YUZMNGXCVVTVBI-FUHWJXTLSA-N 2 0 304.478 3.617 20 0 DHADRP CCOCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172414479 1033159244 /nfs/dbraw/zinc/15/92/44/1033159244.db2.gz OSNRFNWHHBTDHT-AFYVEPGGSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)CCC[C@@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170072234 1023789093 /nfs/dbraw/zinc/78/90/93/1023789093.db2.gz ZNHXNFOBCZVTNF-KZNAEPCWSA-N 2 0 310.526 3.952 20 0 DHADRP CC[C@@](C)([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1nc(C)cs1 ZINC000652339636 1023799008 /nfs/dbraw/zinc/79/90/08/1023799008.db2.gz DVMLDQWFNOPDOF-GOSISDBHSA-N 2 0 315.486 3.512 20 0 DHADRP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347936 1023806304 /nfs/dbraw/zinc/80/63/04/1023806304.db2.gz PNZQOEDICSLUFG-FSZRXZPDSA-N 2 0 322.880 3.619 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172433323 1033168431 /nfs/dbraw/zinc/16/84/31/1033168431.db2.gz HNAZPJUTVYXTIV-SFHVURJKSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788488631 1023892777 /nfs/dbraw/zinc/89/27/77/1023892777.db2.gz RKLBJUUNPGBGBC-ZDUSSCGKSA-N 2 0 303.475 3.631 20 0 DHADRP CC[C@@H](CC(C)C)[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001172383466 1033170189 /nfs/dbraw/zinc/17/01/89/1033170189.db2.gz NHYMFKHVWNCIPT-HNNXBMFYSA-N 2 0 312.523 3.989 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529081 1023906671 /nfs/dbraw/zinc/90/66/71/1023906671.db2.gz QQILSDQXQZMIIQ-GDBMZVCRSA-N 2 0 321.896 3.824 20 0 DHADRP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206036380 1023959522 /nfs/dbraw/zinc/95/95/22/1023959522.db2.gz IZRPOTWKMYWBRV-ZIAGYGMSSA-N 2 0 310.869 3.546 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(O)c1 ZINC000194840313 1024016203 /nfs/dbraw/zinc/01/62/03/1024016203.db2.gz MHEJONBXNVPOLM-INIZCTEOSA-N 2 0 310.441 3.839 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc4ccccc34)CC[C@H]21 ZINC000538796559 1033179652 /nfs/dbraw/zinc/17/96/52/1033179652.db2.gz LGRYYXYUMPHBKW-RHSMWYFYSA-N 2 0 300.471 3.817 20 0 DHADRP COCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C)c1ccccc1 ZINC000662253107 1024033223 /nfs/dbraw/zinc/03/32/23/1024033223.db2.gz VNGDZIHRVQAVTF-QGZVFWFLSA-N 2 0 324.468 3.542 20 0 DHADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC000662273827 1024055311 /nfs/dbraw/zinc/05/53/11/1024055311.db2.gz PWEDOVHNMCSDFC-LSDHHAIUSA-N 2 0 322.880 3.560 20 0 DHADRP CC[C@H](CC(C)C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172400290 1033184857 /nfs/dbraw/zinc/18/48/57/1033184857.db2.gz IZJSETFPORCDIM-IAGOWNOFSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292269 1024075294 /nfs/dbraw/zinc/07/52/94/1024075294.db2.gz CSRBLNCPKMWASF-GOEBONIOSA-N 2 0 319.493 3.745 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)CC2 ZINC000662296323 1024082859 /nfs/dbraw/zinc/08/28/59/1024082859.db2.gz YRZSMIRABOAYEU-VQIMIIECSA-N 2 0 302.437 3.525 20 0 DHADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662325124 1024106878 /nfs/dbraw/zinc/10/68/78/1024106878.db2.gz IILWBYDLQJUJFE-OALUTQOASA-N 2 0 318.505 3.715 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)[C@@H]1CCC[NH3+] ZINC000662318175 1024107513 /nfs/dbraw/zinc/10/75/13/1024107513.db2.gz XEPRRTFZVROMJT-UKRRQHHQSA-N 2 0 303.475 3.636 20 0 DHADRP CCN1CCC([NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000268715273 1024146650 /nfs/dbraw/zinc/14/66/50/1024146650.db2.gz IOVFHXIRBPVXSW-LBPRGKRZSA-N 2 0 316.367 3.720 20 0 DHADRP FC(F)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663344189 1024168201 /nfs/dbraw/zinc/16/82/01/1024168201.db2.gz PBIJLLTXQAQEOP-MRXNPFEDSA-N 2 0 308.416 3.836 20 0 DHADRP Cc1nccn1CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000268848209 1024176924 /nfs/dbraw/zinc/17/69/24/1024176924.db2.gz JILFXFIHIXMFAO-OAHLLOKOSA-N 2 0 305.422 3.547 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3ccc(O)cc3)CC2)C1 ZINC000268841716 1024177555 /nfs/dbraw/zinc/17/75/55/1024177555.db2.gz ZRGNBIHAYUGVAQ-QFBILLFUSA-N 2 0 316.489 3.567 20 0 DHADRP CC(C)(C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663346962 1024179530 /nfs/dbraw/zinc/17/95/30/1024179530.db2.gz YTQDZEOTYWSUQD-GOSISDBHSA-N 2 0 300.490 3.676 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000268860931 1024181919 /nfs/dbraw/zinc/18/19/19/1024181919.db2.gz BWQHHZNCBRUDCV-MRXNPFEDSA-N 2 0 316.489 3.623 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000790081782 1024209675 /nfs/dbraw/zinc/20/96/75/1024209675.db2.gz RZYGUILZLUNLIS-NSHDSACASA-N 2 0 321.412 3.544 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790047900 1024212354 /nfs/dbraw/zinc/21/23/54/1024212354.db2.gz DREYYAUUUXUQIQ-HKUYNNGSSA-N 2 0 300.490 3.818 20 0 DHADRP CC(C)OCC[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436663 1033198195 /nfs/dbraw/zinc/19/81/95/1033198195.db2.gz GEUHAXSFUCSDON-IHPCNDPISA-N 2 0 318.505 3.962 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000531683518 1024270436 /nfs/dbraw/zinc/27/04/36/1024270436.db2.gz SHDYYBXGEDVXRB-ABSDTBQOSA-N 2 0 318.505 3.726 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000453060198 1024309666 /nfs/dbraw/zinc/30/96/66/1024309666.db2.gz JMGJBZHGMYBMOE-SFHVURJKSA-N 2 0 318.486 3.929 20 0 DHADRP C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccncn1 ZINC000453059715 1024311123 /nfs/dbraw/zinc/31/11/23/1024311123.db2.gz MYWHSGGYJCUQDO-SJORKVTESA-N 2 0 324.472 3.702 20 0 DHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC000663415203 1024327484 /nfs/dbraw/zinc/32/74/84/1024327484.db2.gz AXPSZUSKHXYYMC-HOCLYGCPSA-N 2 0 306.413 3.810 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2sccc21 ZINC000453108580 1024336271 /nfs/dbraw/zinc/33/62/71/1024336271.db2.gz LARYABBGKSFIOL-INMHGKMJSA-N 2 0 322.518 3.513 20 0 DHADRP c1cc(N2CCC(C[NH2+][C@@H](C3CC3)C3CCCC3)CC2)cc[nH+]1 ZINC000453138486 1024362869 /nfs/dbraw/zinc/36/28/69/1024362869.db2.gz ABFALDHKFIKRDY-HXUWFJFHSA-N 2 0 313.489 3.856 20 0 DHADRP ClC1(Cl)C[C@@H]1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000877020578 1033207919 /nfs/dbraw/zinc/20/79/19/1033207919.db2.gz YQOVMMBIYMETSJ-CQSZACIVSA-N 2 0 307.309 3.816 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000453192532 1024389644 /nfs/dbraw/zinc/38/96/44/1024389644.db2.gz GTUYMSMVWOHOMD-QGZVFWFLSA-N 2 0 303.494 3.504 20 0 DHADRP ClC1(Cl)C[C@H]1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000877020577 1033207442 /nfs/dbraw/zinc/20/74/42/1033207442.db2.gz YQOVMMBIYMETSJ-AWEZNQCLSA-N 2 0 307.309 3.816 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1N(C)C ZINC000663467786 1024414167 /nfs/dbraw/zinc/41/41/67/1024414167.db2.gz HZYASUPGIYVGSW-FUHWJXTLSA-N 2 0 315.505 3.525 20 0 DHADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000877031859 1033213240 /nfs/dbraw/zinc/21/32/40/1033213240.db2.gz WJSFJUQLUHQEDP-NLWGTHIKSA-N 2 0 320.521 3.744 20 0 DHADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467700 1024414949 /nfs/dbraw/zinc/41/49/49/1024414949.db2.gz HFNYNSRXACWJFA-UXHICEINSA-N 2 0 300.490 3.719 20 0 DHADRP Fc1ccc(F)c2c1CC[C@H]2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468211 1024418898 /nfs/dbraw/zinc/41/88/98/1024418898.db2.gz KJFHOVOCPDTEOW-RDTXWAMCSA-N 2 0 320.427 3.664 20 0 DHADRP FCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453250536 1024425444 /nfs/dbraw/zinc/42/54/44/1024425444.db2.gz ZKYSMXAWZGYNHS-IPMKNSEASA-N 2 0 304.453 3.769 20 0 DHADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1)C1CCCC1 ZINC000883441875 1024435866 /nfs/dbraw/zinc/43/58/66/1024435866.db2.gz ZIWYQTUCACTBLR-BHIYHBOVSA-N 2 0 320.521 3.708 20 0 DHADRP Cc1nc(-c2ccccc2)oc1C[N@H+](C)CCCCCC[NH3+] ZINC000883441662 1024436717 /nfs/dbraw/zinc/43/67/17/1024436717.db2.gz UYJFFNQXMMABQR-UHFFFAOYSA-N 2 0 301.434 3.601 20 0 DHADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000877031860 1033211757 /nfs/dbraw/zinc/21/17/57/1033211757.db2.gz WJSFJUQLUHQEDP-NSHGMRRFSA-N 2 0 320.521 3.744 20 0 DHADRP Cc1cccnc1CC[NH2+][C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000453304391 1024453448 /nfs/dbraw/zinc/45/34/48/1024453448.db2.gz GBFYYJBGTCBIDZ-WIYYLYMNSA-N 2 0 323.484 3.575 20 0 DHADRP CC[C@](C)(C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)OC ZINC000453307565 1024454827 /nfs/dbraw/zinc/45/48/27/1024454827.db2.gz URTRGIVOFPUHHM-SOAGJPPSSA-N 2 0 318.505 3.834 20 0 DHADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1cccc2ccccc21 ZINC000925781384 1024464756 /nfs/dbraw/zinc/46/47/56/1024464756.db2.gz YLKGXDZIFTWQNH-APWZRJJASA-N 2 0 300.446 3.634 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1c1ccccc1 ZINC000453358485 1024481207 /nfs/dbraw/zinc/48/12/07/1024481207.db2.gz OETYGNSTJLRXEA-LMCOJAPRSA-N 2 0 300.490 3.890 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000663502011 1024488970 /nfs/dbraw/zinc/48/89/70/1024488970.db2.gz CVWASSXSAZXFQZ-XJKSGUPXSA-N 2 0 314.420 3.572 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001167825560 1024491347 /nfs/dbraw/zinc/49/13/47/1024491347.db2.gz KAAOGNLKFQVCOJ-WOJBJXKFSA-N 2 0 323.569 3.837 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453399828 1024497727 /nfs/dbraw/zinc/49/77/27/1024497727.db2.gz LRLULZBNOIICLV-CWFSZBLJSA-N 2 0 316.489 3.651 20 0 DHADRP c1cnc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271394110 1024498009 /nfs/dbraw/zinc/49/80/09/1024498009.db2.gz UNRVQLPSVPVPRV-GHTZIAJQSA-N 2 0 321.468 3.684 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCSc2ccc(F)cc21)C1CC1 ZINC000453399271 1024499275 /nfs/dbraw/zinc/49/92/75/1024499275.db2.gz LFORGHRBMBTNAP-MRXNPFEDSA-N 2 0 308.466 3.827 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001167826558 1024501674 /nfs/dbraw/zinc/50/16/74/1024501674.db2.gz QDICASGANVARPP-ICSRJNTNSA-N 2 0 318.505 3.788 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(C)c1OC ZINC000453403753 1024502117 /nfs/dbraw/zinc/50/21/17/1024502117.db2.gz OSTPOLWJECDSIM-HNNXBMFYSA-N 2 0 320.477 3.537 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(F)c(F)c(F)c1 ZINC000453408203 1024503503 /nfs/dbraw/zinc/50/35/03/1024503503.db2.gz SNOSUIDSBQASAS-LLVKDONJSA-N 2 0 300.368 3.629 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1OC(F)F ZINC000453407079 1024504067 /nfs/dbraw/zinc/50/40/67/1024504067.db2.gz DEAZXWQRXUYOMN-ZDUSSCGKSA-N 2 0 312.404 3.813 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C3CCC3)CCC2)[C@@H](C)C1 ZINC000453390659 1024511015 /nfs/dbraw/zinc/51/10/15/1024511015.db2.gz HCEDAULYFUQYIW-HKUYNNGSSA-N 2 0 322.537 3.683 20 0 DHADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000925784416 1024512119 /nfs/dbraw/zinc/51/21/19/1024512119.db2.gz REZOQXKKESBWIN-DLBZAZTESA-N 2 0 308.416 3.752 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001167827437 1024512263 /nfs/dbraw/zinc/51/22/63/1024512263.db2.gz WBCMBMRNIADPRR-AZUAARDMSA-N 2 0 318.505 3.788 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643523170 1024520069 /nfs/dbraw/zinc/52/00/69/1024520069.db2.gz XARUBRODJHXHMC-ZBFHGGJFSA-N 2 0 308.853 3.594 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(OC(F)F)cc1 ZINC000453431412 1024520466 /nfs/dbraw/zinc/52/04/66/1024520466.db2.gz RKGMBFXMMNCRSG-CYBMUJFWSA-N 2 0 312.404 3.813 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000102422669 1024533453 /nfs/dbraw/zinc/53/34/53/1024533453.db2.gz WMKSVVKQQCVEKE-UHFFFAOYSA-N 2 0 314.473 3.564 20 0 DHADRP CCCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000314978148 1024533867 /nfs/dbraw/zinc/53/38/67/1024533867.db2.gz XCXGQTAQBUSKLY-SFHVURJKSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172467278 1033217735 /nfs/dbraw/zinc/21/77/35/1033217735.db2.gz LOXBWOBCAJZEEX-RTBURBONSA-N 2 0 322.537 3.848 20 0 DHADRP C[N@H+](CCCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C1CC1 ZINC000453594341 1024537785 /nfs/dbraw/zinc/53/77/85/1024537785.db2.gz IBZKLKKKMKFKCT-UHFFFAOYSA-N 2 0 308.416 3.675 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCC2 ZINC000643534701 1024541769 /nfs/dbraw/zinc/54/17/69/1024541769.db2.gz AHFADILXOZQISS-DLBZAZTESA-N 2 0 304.865 3.839 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000453590176 1024545891 /nfs/dbraw/zinc/54/58/91/1024545891.db2.gz AVIBXAQFBWLZHD-UHFFFAOYSA-N 2 0 318.358 3.809 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccccc1OC1CCCC1)C1CC1 ZINC000453590849 1024546662 /nfs/dbraw/zinc/54/66/62/1024546662.db2.gz BZQZMEWGHCGLFL-UHFFFAOYSA-N 2 0 316.489 3.972 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000532192696 1024573322 /nfs/dbraw/zinc/57/33/22/1024573322.db2.gz BJEPFWJGJOVRRJ-IXDOHACOSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000532204914 1024574947 /nfs/dbraw/zinc/57/49/47/1024574947.db2.gz LLVLJUUFFNNIMN-BBRMVZONSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000532215422 1024578140 /nfs/dbraw/zinc/57/81/40/1024578140.db2.gz LFEFKNWOJOITCH-KRWDZBQOSA-N 2 0 312.457 3.520 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001167834353 1024585163 /nfs/dbraw/zinc/58/51/63/1024585163.db2.gz IVJKPKZYBPQBPQ-GOSISDBHSA-N 2 0 323.569 3.836 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000532235527 1024587016 /nfs/dbraw/zinc/58/70/16/1024587016.db2.gz UGJCRKAPRCRTJQ-JTDSTZFVSA-N 2 0 302.506 3.845 20 0 DHADRP CCSCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244451 1024589809 /nfs/dbraw/zinc/58/98/09/1024589809.db2.gz NSVLTJMXQBMZCZ-OALUTQOASA-N 2 0 318.530 3.726 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925799724 1024602545 /nfs/dbraw/zinc/60/25/45/1024602545.db2.gz CQOPJNWUMGNXIY-ONQFOCNCSA-N 2 0 304.503 3.730 20 0 DHADRP Cc1nc2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2s1 ZINC000348865351 1024635679 /nfs/dbraw/zinc/63/56/79/1024635679.db2.gz DKZGCLCAXSTGNU-XYPWUTKMSA-N 2 0 315.486 3.662 20 0 DHADRP Cc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000792193260 1024645471 /nfs/dbraw/zinc/64/54/71/1024645471.db2.gz SPRVCRDMGYUUAX-UHFFFAOYSA-N 2 0 300.421 3.828 20 0 DHADRP Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000390914206 1024660962 /nfs/dbraw/zinc/66/09/62/1024660962.db2.gz ZXQMOYPRINYABQ-FQEVSTJZSA-N 2 0 323.484 3.780 20 0 DHADRP Cc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc2cccnc12 ZINC000349135070 1024678302 /nfs/dbraw/zinc/67/83/02/1024678302.db2.gz YBLQPCCZPSQNKE-FQEVSTJZSA-N 2 0 323.484 3.707 20 0 DHADRP CC[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CCO1 ZINC001170189967 1024686169 /nfs/dbraw/zinc/68/61/69/1024686169.db2.gz CNEBPBMCXJKLTE-IAGOWNOFSA-N 2 0 322.880 3.547 20 0 DHADRP CC[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CCO1 ZINC001170192259 1024686565 /nfs/dbraw/zinc/68/65/65/1024686565.db2.gz KCAFTVQPKYJFQT-CABCVRRESA-N 2 0 322.880 3.547 20 0 DHADRP CC[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001170198524 1024697324 /nfs/dbraw/zinc/69/73/24/1024697324.db2.gz XOBITIMZVHDEJW-SJORKVTESA-N 2 0 322.880 3.547 20 0 DHADRP CC[C@@H]1C[C@H]([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CCO1 ZINC001170240161 1024705017 /nfs/dbraw/zinc/70/50/17/1024705017.db2.gz OTDYECYLBWCSJH-WOJBJXKFSA-N 2 0 322.537 3.778 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666126280 1024711851 /nfs/dbraw/zinc/71/18/51/1024711851.db2.gz HEGBKAQWPRSHHN-HNNXBMFYSA-N 2 0 306.881 3.519 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000102535319 1024732071 /nfs/dbraw/zinc/73/20/71/1024732071.db2.gz YLNDQPXITANTCS-IBGZPJMESA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001168169157 1024761492 /nfs/dbraw/zinc/76/14/92/1024761492.db2.gz VUSPLPKLOFZUKM-ZDUSSCGKSA-N 2 0 313.832 3.995 20 0 DHADRP C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)C1CC[NH+](C)CC1 ZINC000666209261 1024786595 /nfs/dbraw/zinc/78/65/95/1024786595.db2.gz NHNNIRDLODFGDW-CQSZACIVSA-N 2 0 322.443 3.706 20 0 DHADRP Cc1[nH+]ccc(NCc2ccccc2C[NH+]2CCCC2)c1Cl ZINC000350312412 1024804207 /nfs/dbraw/zinc/80/42/07/1024804207.db2.gz QKICJXJFKOLOIF-UHFFFAOYSA-N 2 0 315.848 3.673 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(F)F)cc1 ZINC000666228216 1024813671 /nfs/dbraw/zinc/81/36/71/1024813671.db2.gz OSBOQFIMXLHAMR-HWWQOWPSSA-N 2 0 305.372 3.875 20 0 DHADRP c1ccc([C@@H]2C[C@H]([NH2+]CCc3ccncc3)CCN2C2CC2)cc1 ZINC000877089026 1033236576 /nfs/dbraw/zinc/23/65/76/1033236576.db2.gz FGFANJBRHWSWBC-CTNGQTDRSA-N 2 0 321.468 3.582 20 0 DHADRP CC(C)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000643463544 1024847448 /nfs/dbraw/zinc/84/74/48/1024847448.db2.gz CPKZOMBOWNAPLO-IPMKNSEASA-N 2 0 300.490 3.865 20 0 DHADRP CCCCCC[C@H](CCCC)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172514995 1033240508 /nfs/dbraw/zinc/24/05/08/1033240508.db2.gz WRUACCZGKHVLOM-IBGZPJMESA-N 2 0 311.558 3.872 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000925825606 1024859030 /nfs/dbraw/zinc/85/90/30/1024859030.db2.gz ARASZOZLZUTJKT-QWHCGFSZSA-N 2 0 301.409 3.708 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000319924741 1024898524 /nfs/dbraw/zinc/89/85/24/1024898524.db2.gz JQGLGPHQLXVBDB-DNVCBOLYSA-N 2 0 304.478 3.870 20 0 DHADRP Cc1nc(C)c([C@H](C)[N@H+](C)CCCCn2ccnc2C)s1 ZINC000162959402 1024938530 /nfs/dbraw/zinc/93/85/30/1024938530.db2.gz FQMIIWSIPDBBQC-ZDUSSCGKSA-N 2 0 306.479 3.738 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000119109875 1024947967 /nfs/dbraw/zinc/94/79/67/1024947967.db2.gz WQYSNEDOBUKPIZ-IIBYNOLFSA-N 2 0 324.468 3.965 20 0 DHADRP CC(C)CCOc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000320163562 1025008070 /nfs/dbraw/zinc/00/80/70/1025008070.db2.gz YAOUAVHZBMGGQQ-VQTJNVASSA-N 2 0 316.489 3.828 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000353404896 1025059007 /nfs/dbraw/zinc/05/90/07/1025059007.db2.gz NHVZDBVWLBQGDW-QMCVQRASSA-N 2 0 302.487 3.686 20 0 DHADRP CCS[C@H]1CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000353583533 1025143028 /nfs/dbraw/zinc/14/30/28/1025143028.db2.gz BQJVOTHACQATQE-SFHVURJKSA-N 2 0 315.486 3.980 20 0 DHADRP C[C@@H]([NH2+]CCC1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539064389 1033261926 /nfs/dbraw/zinc/26/19/26/1033261926.db2.gz BZVJOARNDWQVPC-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C)c1 ZINC000353603651 1025149568 /nfs/dbraw/zinc/14/95/68/1025149568.db2.gz HQOCRMWCWGECGL-IEBWSBKVSA-N 2 0 304.478 3.537 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000279735086 1025201792 /nfs/dbraw/zinc/20/17/92/1025201792.db2.gz ODICOMVWNHJVCK-WMLDXEAASA-N 2 0 304.478 3.661 20 0 DHADRP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400989523 1025221598 /nfs/dbraw/zinc/22/15/98/1025221598.db2.gz XIEGJWVZSVUADL-ANQUJSFKSA-N 2 0 302.462 3.579 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c3cccnc23)C[C@H]1C ZINC000353754224 1025238192 /nfs/dbraw/zinc/23/81/92/1025238192.db2.gz YZVLVDFWAFUIEM-ZBFHGGJFSA-N 2 0 315.436 3.679 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000040622752 1025242606 /nfs/dbraw/zinc/24/26/06/1025242606.db2.gz JTYYTJMBLJTCTC-MXWWQKGMSA-N 2 0 306.881 3.906 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000279797328 1025265802 /nfs/dbraw/zinc/26/58/02/1025265802.db2.gz VVBCWHMPOXNWRC-LNLFQRSKSA-N 2 0 306.494 3.863 20 0 DHADRP CCCCOC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000353975167 1025307934 /nfs/dbraw/zinc/30/79/34/1025307934.db2.gz UHVGUTMNRDKSMN-UHFFFAOYSA-N 2 0 313.445 3.653 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000236797255 1025323254 /nfs/dbraw/zinc/32/32/54/1025323254.db2.gz MLDIDLJCZLWVBW-ROUUACIJSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cc2cc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)ncc2[nH]1 ZINC001170454000 1025330236 /nfs/dbraw/zinc/33/02/36/1025330236.db2.gz RGPRPQLLZXEPEX-UHFFFAOYSA-N 2 0 300.450 3.935 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC(C)C)[C@@H](C)C1 ZINC000539122265 1033279500 /nfs/dbraw/zinc/27/95/00/1033279500.db2.gz WIYOJLVMNAJDJZ-ROUUACIJSA-N 2 0 312.542 3.785 20 0 DHADRP FC(F)(F)CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000097988857 1025385742 /nfs/dbraw/zinc/38/57/42/1025385742.db2.gz JKJQZFCSACWDBP-UHFFFAOYSA-N 2 0 300.368 3.583 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC1(Cl)Cl ZINC000859995597 1033280418 /nfs/dbraw/zinc/28/04/18/1033280418.db2.gz KUBSBUPBKNNSCM-OAHLLOKOSA-N 2 0 315.288 3.764 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H]3CC[C@H]([NH3+])C3)cs2)cs1 ZINC000925874944 1025395872 /nfs/dbraw/zinc/39/58/72/1025395872.db2.gz AAXWWACWKMLSAZ-QKCSRTOESA-N 2 0 321.515 3.958 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000885954384 1025417729 /nfs/dbraw/zinc/41/77/29/1025417729.db2.gz WPUVLBUSAPKYTP-QUCCMNQESA-N 2 0 322.537 3.968 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000124211879 1025419541 /nfs/dbraw/zinc/41/95/41/1025419541.db2.gz FHZAYHXVUORKRP-DLBZAZTESA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661319 1025421715 /nfs/dbraw/zinc/42/17/15/1025421715.db2.gz ZZWMIUIRKAYQMN-KDOFPFPSSA-N 2 0 324.415 3.767 20 0 DHADRP Clc1ccc2c(c1)CN(Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001204853947 1025427586 /nfs/dbraw/zinc/42/75/86/1025427586.db2.gz DAQUIAQHZLRGGX-UHFFFAOYSA-N 2 0 318.873 3.606 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000124742813 1025444028 /nfs/dbraw/zinc/44/40/28/1025444028.db2.gz JPIHCVSNPOVVKP-HKUYNNGSSA-N 2 0 302.462 3.707 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886041740 1025447739 /nfs/dbraw/zinc/44/77/39/1025447739.db2.gz QFBWUTXSWCAOQR-RTBURBONSA-N 2 0 322.537 3.826 20 0 DHADRP FC(F)Sc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261679629 1025463753 /nfs/dbraw/zinc/46/37/53/1025463753.db2.gz AFNROGHWTMQBGL-UHFFFAOYSA-N 2 0 312.429 3.577 20 0 DHADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261679133 1025463831 /nfs/dbraw/zinc/46/38/31/1025463831.db2.gz HVZRBHVIAPTABV-YZGWKJHDSA-N 2 0 311.473 3.611 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]CCCn2ccnc2)cc1 ZINC000144765666 1025467906 /nfs/dbraw/zinc/46/79/06/1025467906.db2.gz FAEMZOKQVAUDDS-MRXNPFEDSA-N 2 0 301.434 3.803 20 0 DHADRP CC(C)[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccnc1 ZINC000125623530 1025482953 /nfs/dbraw/zinc/48/29/53/1025482953.db2.gz VCEWTARQRNGMDY-UHFFFAOYSA-N 2 0 306.413 3.678 20 0 DHADRP C[N@H+](CCCCCCC[NH3+])Cc1csc(Br)c1 ZINC000042365961 1025487550 /nfs/dbraw/zinc/48/75/50/1025487550.db2.gz XWKQGLPRDIVULC-UHFFFAOYSA-N 2 0 319.312 3.852 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000125740416 1025490404 /nfs/dbraw/zinc/49/04/04/1025490404.db2.gz NKZSGUDNBOEKCI-UKRRQHHQSA-N 2 0 309.523 3.785 20 0 DHADRP C([NH2+][C@H]1CCOC2(CCCCC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC000886166307 1025542208 /nfs/dbraw/zinc/54/22/08/1025542208.db2.gz FHZLDHFEAPSSAX-IBGZPJMESA-N 2 0 320.521 3.580 20 0 DHADRP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(F)c3)CC2)n1 ZINC000128211993 1025572594 /nfs/dbraw/zinc/57/25/94/1025572594.db2.gz LXJAGURDXUDPMP-OAHLLOKOSA-N 2 0 313.420 3.849 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccns1 ZINC000860062299 1033292964 /nfs/dbraw/zinc/29/29/64/1033292964.db2.gz UONILBKNAMPULG-HNNXBMFYSA-N 2 0 315.486 3.980 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069381320 1025639971 /nfs/dbraw/zinc/63/99/71/1025639971.db2.gz JHKGCOVKEFJMOA-UKRRQHHQSA-N 2 0 306.416 3.962 20 0 DHADRP COc1cccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886491779 1025650559 /nfs/dbraw/zinc/65/05/59/1025650559.db2.gz QVYHHXSYNZGNMW-UHFFFAOYSA-N 2 0 302.462 3.582 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cccc(O)c1 ZINC000886524051 1025674290 /nfs/dbraw/zinc/67/42/90/1025674290.db2.gz BPWKYNTZZQNUCB-LSJNQWAISA-N 2 0 302.462 3.840 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc[nH]1 ZINC000886558974 1025705997 /nfs/dbraw/zinc/70/59/97/1025705997.db2.gz WXQDMEQMTASBDM-LULLPPNCSA-N 2 0 309.457 3.718 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(C)CCC(C)CC1 ZINC000355412681 1025714054 /nfs/dbraw/zinc/71/40/54/1025714054.db2.gz LUWNJMWTYAIVSX-UHFFFAOYSA-N 2 0 312.461 3.882 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@H](O)c3ccccc32)CC1 ZINC000886637612 1025753775 /nfs/dbraw/zinc/75/37/75/1025753775.db2.gz ASCQRIHJIWGHPK-DSOJJBLGSA-N 2 0 314.473 3.552 20 0 DHADRP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886646385 1025758176 /nfs/dbraw/zinc/75/81/76/1025758176.db2.gz HVMLQGDHLRWMON-VMXHOPILSA-N 2 0 316.514 3.523 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806125489 1025793113 /nfs/dbraw/zinc/79/31/13/1025793113.db2.gz ALZWFHXKFCJANI-HIFRSBDPSA-N 2 0 309.885 3.822 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000886720056 1025831071 /nfs/dbraw/zinc/83/10/71/1025831071.db2.gz QTMWOTMXJWKFAH-MRXNPFEDSA-N 2 0 308.510 3.530 20 0 DHADRP CC[NH+](CC)CC1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411174730 1025864483 /nfs/dbraw/zinc/86/44/83/1025864483.db2.gz OYEVZVCXNBCRLD-OALUTQOASA-N 2 0 304.453 3.735 20 0 DHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917014 1025922162 /nfs/dbraw/zinc/92/21/62/1025922162.db2.gz JMBCJCVISJVEEP-BCDXTJNWSA-N 2 0 318.892 3.940 20 0 DHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cncs1 ZINC000283047779 1025999026 /nfs/dbraw/zinc/99/90/26/1025999026.db2.gz RXCGEMVJDOZRGT-QGZVFWFLSA-N 2 0 315.486 3.533 20 0 DHADRP c1ccc2c(c1)CC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215695 1026039775 /nfs/dbraw/zinc/03/97/75/1026039775.db2.gz ZUMXSNRHJYELPO-HXUWFJFHSA-N 2 0 307.441 3.575 20 0 DHADRP COc1ccccc1C[N@H+]([C@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167918330 1026076092 /nfs/dbraw/zinc/07/60/92/1026076092.db2.gz SQPNCSJHVFKLLO-BSHDOZJQSA-N 2 0 314.473 3.566 20 0 DHADRP CCC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000356787735 1026168169 /nfs/dbraw/zinc/16/81/69/1026168169.db2.gz PMWZGBYGFUZNLG-SFHVURJKSA-N 2 0 304.478 3.858 20 0 DHADRP CCC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000356787733 1026169123 /nfs/dbraw/zinc/16/91/23/1026169123.db2.gz PMWZGBYGFUZNLG-GOSISDBHSA-N 2 0 304.478 3.858 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000356842631 1026187738 /nfs/dbraw/zinc/18/77/38/1026187738.db2.gz KYPKCJUCELTYRP-INIZCTEOSA-N 2 0 322.880 3.875 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000245763078 1026203607 /nfs/dbraw/zinc/20/36/07/1026203607.db2.gz QDUMJOOMASFQGJ-LAUBAEHRSA-N 2 0 323.484 3.911 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1O ZINC000290017483 1026282707 /nfs/dbraw/zinc/28/27/07/1026282707.db2.gz ZVXCJAIDGDZITD-INIZCTEOSA-N 2 0 320.477 3.564 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261760806 1026298119 /nfs/dbraw/zinc/29/81/19/1026298119.db2.gz CZHCEJAMMNLYSD-CWRNSKLLSA-N 2 0 312.379 3.573 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C)n2)CC1)CC1CC1 ZINC000357086663 1026309188 /nfs/dbraw/zinc/30/91/88/1026309188.db2.gz PCCKPWTXIJBXGD-UHFFFAOYSA-N 2 0 315.505 3.724 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894200131 1026343963 /nfs/dbraw/zinc/34/39/63/1026343963.db2.gz JVZHKQIMYCJIJJ-GFCCVEGCSA-N 2 0 323.893 3.771 20 0 DHADRP CCCCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000808675308 1026353971 /nfs/dbraw/zinc/35/39/71/1026353971.db2.gz CFNUBKIXOMAZMK-GOSISDBHSA-N 2 0 311.558 3.597 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000513334605 1026481345 /nfs/dbraw/zinc/48/13/45/1026481345.db2.gz ICJWNAILIKJKGG-VDGAXYAQSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000513488553 1026520875 /nfs/dbraw/zinc/52/08/75/1026520875.db2.gz XGCJGTUENMGUTE-AZUAARDMSA-N 2 0 323.484 3.780 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000280381939 1026642152 /nfs/dbraw/zinc/64/21/52/1026642152.db2.gz WFFWXKBTQRCFGP-LULLPPNCSA-N 2 0 302.437 3.678 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000513707748 1026754638 /nfs/dbraw/zinc/75/46/38/1026754638.db2.gz IIRLWONNXXVGHQ-IPMKNSEASA-N 2 0 316.489 3.651 20 0 DHADRP C[C@@H]1C[C@]1([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000419722049 1026760772 /nfs/dbraw/zinc/76/07/72/1026760772.db2.gz DBOZAPWYJXXTJJ-BVPBIZIASA-N 2 0 304.865 3.792 20 0 DHADRP COC1CCC([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000419787726 1026762771 /nfs/dbraw/zinc/76/27/71/1026762771.db2.gz XRIHQUIBOKYKDT-UHFFFAOYSA-N 2 0 318.505 3.692 20 0 DHADRP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420256968 1026792544 /nfs/dbraw/zinc/79/25/44/1026792544.db2.gz HZFNGRFYHOOQGU-BBRMVZONSA-N 2 0 315.848 3.693 20 0 DHADRP Cc1nc([C@H](C)N2CC[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420293937 1026795058 /nfs/dbraw/zinc/79/50/58/1026795058.db2.gz NTFXXCCWOAODJU-STQMWFEESA-N 2 0 319.836 3.645 20 0 DHADRP C[C@@H]1SCC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000420306603 1026799444 /nfs/dbraw/zinc/79/94/44/1026799444.db2.gz QMMKWAJSJZABST-JZXOWHBKSA-N 2 0 304.503 3.555 20 0 DHADRP Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420308013 1026799764 /nfs/dbraw/zinc/79/97/64/1026799764.db2.gz CHKLIVSCERIUBK-LPHOPBHVSA-N 2 0 324.472 3.522 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420316400 1026800026 /nfs/dbraw/zinc/80/00/26/1026800026.db2.gz YCGWBBKYLSKCRP-UHFFFAOYSA-N 2 0 304.437 3.832 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000420319214 1026802390 /nfs/dbraw/zinc/80/23/90/1026802390.db2.gz XNDQXAHUJQBGSF-CQSZACIVSA-N 2 0 310.869 3.688 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325143 1026804064 /nfs/dbraw/zinc/80/40/64/1026804064.db2.gz IHJSCTKEFAACOB-DEYYWGMASA-N 2 0 304.865 3.649 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000420317132 1026804429 /nfs/dbraw/zinc/80/44/29/1026804429.db2.gz NGQYCAXBQPIIFW-ICSRJNTNSA-N 2 0 310.441 3.575 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331402 1026807082 /nfs/dbraw/zinc/80/70/82/1026807082.db2.gz QSVXZOPPLHNWMW-FVQBIDKESA-N 2 0 324.415 3.671 20 0 DHADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420332084 1026807523 /nfs/dbraw/zinc/80/75/23/1026807523.db2.gz RHEVGQYYCHBAMF-JXFKEZNVSA-N 2 0 324.468 3.588 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367056 1026810153 /nfs/dbraw/zinc/81/01/53/1026810153.db2.gz GMMDDJSTZOOMED-GJZGRUSLSA-N 2 0 309.523 3.957 20 0 DHADRP C[NH2+]CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000420377549 1026810173 /nfs/dbraw/zinc/81/01/73/1026810173.db2.gz SLKIWIRFZMYGOY-RTWAWAEBSA-N 2 0 324.468 3.835 20 0 DHADRP Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc1C(F)(F)F ZINC000414458249 1026833172 /nfs/dbraw/zinc/83/31/72/1026833172.db2.gz KMMOZEFWUKJPNH-UHFFFAOYSA-N 2 0 314.395 3.978 20 0 DHADRP CCCC[C@H](CC)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975293 1026901793 /nfs/dbraw/zinc/90/17/93/1026901793.db2.gz FNXZXCUOCAOLSI-IBGZPJMESA-N 2 0 323.569 3.695 20 0 DHADRP C[C@@H]([NH2+]CCCC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000268932232 1026919797 /nfs/dbraw/zinc/91/97/97/1026919797.db2.gz MHVLAYDJBZZWBY-CYBMUJFWSA-N 2 0 318.383 3.620 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000710756962 1026950439 /nfs/dbraw/zinc/95/04/39/1026950439.db2.gz AGTIDZNGQIWZGH-ZDUSSCGKSA-N 2 0 313.283 3.961 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000421377667 1026969806 /nfs/dbraw/zinc/96/98/06/1026969806.db2.gz HRHATPMTIUERFR-JCHJZTRSSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000421387703 1026976203 /nfs/dbraw/zinc/97/62/03/1026976203.db2.gz PIWNGHDVMNGEHA-OALUTQOASA-N 2 0 318.505 3.692 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421823969 1027056091 /nfs/dbraw/zinc/05/60/91/1027056091.db2.gz GEZLQRBYQWIEKL-UONOGXRCSA-N 2 0 312.860 3.732 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000271756141 1027137081 /nfs/dbraw/zinc/13/70/81/1027137081.db2.gz DOOYTABOTLZYEG-RLLQIKCJSA-N 2 0 316.489 3.618 20 0 DHADRP c1[nH]nc(-c2ccccc2)c1CN1CCC([NH2+]C2CCCC2)CC1 ZINC000362376438 1027170147 /nfs/dbraw/zinc/17/01/47/1027170147.db2.gz NYWWJAQFOPJBKW-UHFFFAOYSA-N 2 0 324.472 3.573 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000562019789 1027184322 /nfs/dbraw/zinc/18/43/22/1027184322.db2.gz PUMYXAPJQWFQOT-VQTJNVASSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1)CC(C)(C)CC[NH3+] ZINC001170665621 1027190608 /nfs/dbraw/zinc/19/06/08/1027190608.db2.gz AGOJYZHQNPBXCC-BBRMVZONSA-N 2 0 324.459 3.813 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000572474078 1027206076 /nfs/dbraw/zinc/20/60/76/1027206076.db2.gz LFTDCKWNYKIUTI-SFHVURJKSA-N 2 0 317.864 3.608 20 0 DHADRP CCCOC1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCCC1 ZINC000572683101 1027220203 /nfs/dbraw/zinc/22/02/03/1027220203.db2.gz HHSXZBZKGWUCHE-UHFFFAOYSA-N 2 0 310.526 3.968 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924954219 1027281030 /nfs/dbraw/zinc/28/10/30/1027281030.db2.gz GAOFVAHJGVKHAZ-NRFANRHFSA-N 2 0 323.484 3.801 20 0 DHADRP CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC)cc1 ZINC000422718703 1027301860 /nfs/dbraw/zinc/30/18/60/1027301860.db2.gz XOKCLLJTUYTUPZ-SUTQANCOSA-N 2 0 302.462 3.799 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422725979 1027304850 /nfs/dbraw/zinc/30/48/50/1027304850.db2.gz CWUZJVYGCRMMTQ-XHDPSFHLSA-N 2 0 301.261 3.514 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000422739923 1027306265 /nfs/dbraw/zinc/30/62/65/1027306265.db2.gz ASRRMVQYGRZNRM-CMPLNLGQSA-N 2 0 305.372 3.539 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422743545 1027309184 /nfs/dbraw/zinc/30/91/84/1027309184.db2.gz RRHSFZUVDGKZBH-CABCVRRESA-N 2 0 323.550 3.884 20 0 DHADRP Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422749179 1027309881 /nfs/dbraw/zinc/30/98/81/1027309881.db2.gz XXEFDZYXNWEBGC-CRAIPNDOSA-N 2 0 312.461 3.600 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000422743003 1027311190 /nfs/dbraw/zinc/31/11/90/1027311190.db2.gz SSCODFHTILUPKR-ICSRJNTNSA-N 2 0 317.521 3.567 20 0 DHADRP C(C1CCCC1)[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000573622380 1027313118 /nfs/dbraw/zinc/31/31/18/1027313118.db2.gz RYPPCGXDNKVQIJ-UHFFFAOYSA-N 2 0 320.521 3.722 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(OC)cc1 ZINC000422769813 1027314111 /nfs/dbraw/zinc/31/41/11/1027314111.db2.gz UBRVIBPUMDXMGD-IFXJQAMLSA-N 2 0 313.445 3.659 20 0 DHADRP C[C@H]1CC[N@H+](CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000573653378 1027315499 /nfs/dbraw/zinc/31/54/99/1027315499.db2.gz LMZVPBUJFHXTDC-KRWDZBQOSA-N 2 0 323.569 3.597 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCSCc2ccccc2F)c2ccccc21 ZINC000422773659 1027315721 /nfs/dbraw/zinc/31/57/21/1027315721.db2.gz UMCMNMSWFRYCMB-MSOLQXFVSA-N 2 0 316.445 3.793 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)oc21 ZINC000422786015 1027322150 /nfs/dbraw/zinc/32/21/50/1027322150.db2.gz NYXXGTDPDYVFLT-IJEWVQPXSA-N 2 0 316.445 3.870 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798224 1027323152 /nfs/dbraw/zinc/32/31/52/1027323152.db2.gz QDVVCLBUGQGDAZ-TYILLQQXSA-N 2 0 318.411 3.616 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000422787549 1027323248 /nfs/dbraw/zinc/32/32/48/1027323248.db2.gz RNYDKMOPANCOOB-BEFAXECRSA-N 2 0 300.421 3.827 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000422784757 1027324951 /nfs/dbraw/zinc/32/49/51/1027324951.db2.gz OLIBFIBIOGEDPG-DLBZAZTESA-N 2 0 312.885 3.771 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798701 1027325509 /nfs/dbraw/zinc/32/55/09/1027325509.db2.gz SLEJNHBPYUONJQ-VXGBXAGGSA-N 2 0 319.399 3.581 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2)cs1 ZINC000422800910 1027326921 /nfs/dbraw/zinc/32/69/21/1027326921.db2.gz DFWAGJFIOGNPPY-AGIUHOORSA-N 2 0 303.475 3.895 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422806296 1027327698 /nfs/dbraw/zinc/32/76/98/1027327698.db2.gz HWMDZUHADKSWCR-BYCMXARLSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422812935 1027332519 /nfs/dbraw/zinc/33/25/19/1027332519.db2.gz YMSOUZCJFXAMPC-CABCVRRESA-N 2 0 316.420 3.620 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1OC(F)F ZINC000422832599 1027336174 /nfs/dbraw/zinc/33/61/74/1027336174.db2.gz LDGZEDKIXPIIEP-GXTWGEPZSA-N 2 0 300.393 3.846 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])ccc1OC(C)C ZINC000422814486 1027340357 /nfs/dbraw/zinc/34/03/57/1027340357.db2.gz VCSRHRJBWHYTFH-HUUCEWRRSA-N 2 0 308.466 3.651 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422858374 1027341858 /nfs/dbraw/zinc/34/18/58/1027341858.db2.gz ZWQQWPILZCGLIE-CQJMVSDSSA-N 2 0 318.427 3.865 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422865227 1027343799 /nfs/dbraw/zinc/34/37/99/1027343799.db2.gz OMYRNWWYKPYYSV-OKZBNKHCSA-N 2 0 322.493 3.699 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000422853502 1027344156 /nfs/dbraw/zinc/34/41/56/1027344156.db2.gz CCJJBSJQZOTZQJ-ZWKOTPCHSA-N 3 0 317.521 3.526 20 0 DHADRP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422857299 1027344648 /nfs/dbraw/zinc/34/46/48/1027344648.db2.gz GSFLJMYLBRRNBN-SJLPKXTDSA-N 2 0 304.478 3.904 20 0 DHADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422881149 1027345689 /nfs/dbraw/zinc/34/56/89/1027345689.db2.gz POYHOJUUPYIDLQ-OKZBNKHCSA-N 2 0 304.503 3.809 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422879100 1027345747 /nfs/dbraw/zinc/34/57/47/1027345747.db2.gz ULDRZASENJLQPL-CHWSQXEVSA-N 2 0 301.409 3.708 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422877882 1027345827 /nfs/dbraw/zinc/34/58/27/1027345827.db2.gz SFNIOGPIIASXQQ-SOLBZPMBSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422842785 1027346156 /nfs/dbraw/zinc/34/61/56/1027346156.db2.gz GKNCEGAAZYSFNY-OTWHNJEPSA-N 2 0 311.473 3.529 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422877881 1027346600 /nfs/dbraw/zinc/34/66/00/1027346600.db2.gz SFNIOGPIIASXQQ-RYRKJORJSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422879101 1027346913 /nfs/dbraw/zinc/34/69/13/1027346913.db2.gz ULDRZASENJLQPL-OLZOCXBDSA-N 2 0 301.409 3.708 20 0 DHADRP Fc1cccc(F)c1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000422844680 1027348127 /nfs/dbraw/zinc/34/81/27/1027348127.db2.gz MROIAOARPLDEHT-YIONKMFJSA-N 2 0 320.427 3.649 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422889478 1027348671 /nfs/dbraw/zinc/34/86/71/1027348671.db2.gz GDYQFGCBIZPMML-UTKZUKDTSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422885054 1027349814 /nfs/dbraw/zinc/34/98/14/1027349814.db2.gz TWPZNANUNNSJIF-DYESRHJHSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422908505 1027357662 /nfs/dbraw/zinc/35/76/62/1027357662.db2.gz MSKFZEZCTUIUCY-YESZJQIVSA-N 2 0 321.534 3.675 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422916158 1027359233 /nfs/dbraw/zinc/35/92/33/1027359233.db2.gz CMLCBWBZXPMCGB-SZVBFZGTSA-N 2 0 301.478 3.600 20 0 DHADRP C[C@H](CCCC[NH3+])Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422922189 1027361903 /nfs/dbraw/zinc/36/19/03/1027361903.db2.gz PUQOMKBPHIGDOQ-IAGOWNOFSA-N 2 0 303.494 3.990 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc2ccccc2o1 ZINC000422924236 1027362422 /nfs/dbraw/zinc/36/24/22/1027362422.db2.gz TWCNBYFAKSIVPC-DNVCBOLYSA-N 2 0 308.425 3.523 20 0 DHADRP COc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422937934 1027366762 /nfs/dbraw/zinc/36/67/62/1027366762.db2.gz DISRGHSGUFIZOL-HSALFYBXSA-N 2 0 316.489 3.528 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917607 1027367792 /nfs/dbraw/zinc/36/77/92/1027367792.db2.gz FFFWGHGXPYAWRZ-RSPOEFSDSA-N 2 0 316.489 3.663 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422940754 1027367902 /nfs/dbraw/zinc/36/79/02/1027367902.db2.gz UIPXHVOEGSHJLF-UYAOXDASSA-N 2 0 324.468 3.840 20 0 DHADRP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422940162 1027370455 /nfs/dbraw/zinc/37/04/55/1027370455.db2.gz SEHMWOZDKSDGNW-NJDAHSKKSA-N 2 0 308.469 3.893 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422921772 1027372044 /nfs/dbraw/zinc/37/20/44/1027372044.db2.gz QXQWHDOHDNQMDW-CHWSQXEVSA-N 2 0 301.409 3.708 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000422922110 1027372780 /nfs/dbraw/zinc/37/27/80/1027372780.db2.gz RZPWAVZIWUFDDN-CABZTGNLSA-N 2 0 303.233 3.534 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)Oc1ccccc1Cl ZINC000422918451 1027373964 /nfs/dbraw/zinc/37/39/64/1027373964.db2.gz IDHIUSVJLNBUGR-OAUYIBNBSA-N 2 0 316.832 3.842 20 0 DHADRP CC[C@H]([NH2+]C[C@H](C)CSc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422945720 1027374701 /nfs/dbraw/zinc/37/47/01/1027374701.db2.gz NUTIDVQIYVLNLU-JYJNAYRXSA-N 2 0 322.518 3.544 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422946427 1027375385 /nfs/dbraw/zinc/37/53/85/1027375385.db2.gz WSVZTBLZBPVSHM-DYESRHJHSA-N 2 0 324.468 3.743 20 0 DHADRP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422948984 1027376551 /nfs/dbraw/zinc/37/65/51/1027376551.db2.gz TZCHZHSWFHXQNE-NJDAHSKKSA-N 2 0 308.469 3.893 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000422952462 1027379765 /nfs/dbraw/zinc/37/97/65/1027379765.db2.gz CLTDWROSKVPROI-HLIUYOAVSA-N 2 0 315.486 3.978 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000422959285 1027379789 /nfs/dbraw/zinc/37/97/89/1027379789.db2.gz RJFPWFOTCHGUKB-KGLIPLIRSA-N 2 0 303.475 3.978 20 0 DHADRP C[C@H]([NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21)[C@@H]1CC[NH2+]C1 ZINC000422953197 1027380281 /nfs/dbraw/zinc/38/02/81/1027380281.db2.gz DOCFONJKLSRKGN-VPWXQRGCSA-N 2 0 322.452 3.765 20 0 DHADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422988355 1027382272 /nfs/dbraw/zinc/38/22/72/1027382272.db2.gz IUNJSKPLKUKOBV-XPKDYRNWSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422995106 1027382417 /nfs/dbraw/zinc/38/24/17/1027382417.db2.gz JHRVGKMSVQYEKQ-PXNSSMCTSA-N 2 0 308.469 3.557 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2OCc2ccccc2)c2ccccc21 ZINC000422994805 1027385039 /nfs/dbraw/zinc/38/50/39/1027385039.db2.gz WIJUFHWONRERFQ-IVAOSVALSA-N 2 0 322.452 3.859 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000423000025 1027387857 /nfs/dbraw/zinc/38/78/57/1027387857.db2.gz UKDDTLAGRIYUIN-HSALFYBXSA-N 2 0 312.501 3.910 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423019363 1027390323 /nfs/dbraw/zinc/39/03/23/1027390323.db2.gz VJSWVEJKQCKSTD-MNOVXSKESA-N 2 0 321.317 3.942 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423019043 1027390716 /nfs/dbraw/zinc/39/07/16/1027390716.db2.gz SYOGHMASEOHHOY-ZIAGYGMSSA-N 2 0 319.301 3.696 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423010534 1027391171 /nfs/dbraw/zinc/39/11/71/1027391171.db2.gz GTOAIGMEKZOKAD-GFCCVEGCSA-N 2 0 323.893 3.723 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000423023306 1027393048 /nfs/dbraw/zinc/39/30/48/1027393048.db2.gz JLKSPOXGDSGGLJ-ZQGRQUNCSA-N 2 0 309.457 3.823 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)[C@H](C)C1 ZINC001170685514 1027394347 /nfs/dbraw/zinc/39/43/47/1027394347.db2.gz OJESOFFCJPANNK-ACWOFJMJSA-N 2 0 322.443 3.531 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000423049455 1027395086 /nfs/dbraw/zinc/39/50/86/1027395086.db2.gz XRJUDVOOCLPCRJ-IUIKQTSFSA-N 2 0 312.379 3.539 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423021284 1027395099 /nfs/dbraw/zinc/39/50/99/1027395099.db2.gz DXRFHAJCQWJRPE-SJORKVTESA-N 2 0 312.457 3.524 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423021283 1027395747 /nfs/dbraw/zinc/39/57/47/1027395747.db2.gz DXRFHAJCQWJRPE-IRXDYDNUSA-N 2 0 312.457 3.524 20 0 DHADRP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423033740 1027398336 /nfs/dbraw/zinc/39/83/36/1027398336.db2.gz ZVZHUANYAZULRC-FHLIZLRMSA-N 2 0 318.892 3.882 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000423039177 1027399910 /nfs/dbraw/zinc/39/99/10/1027399910.db2.gz DVJRWUPCFXBVMD-DNOPENIRSA-N 2 0 302.437 3.869 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423055723 1027404046 /nfs/dbraw/zinc/40/40/46/1027404046.db2.gz WYCVOCYJEABKOB-CABCVRRESA-N 2 0 300.446 3.842 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000423060429 1027404571 /nfs/dbraw/zinc/40/45/71/1027404571.db2.gz IEYNILVUHBWKII-TZIWHRDSSA-N 2 0 324.468 3.684 20 0 DHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423074781 1027406792 /nfs/dbraw/zinc/40/67/92/1027406792.db2.gz VFXMHKNCIPASKZ-GDAAHCPNSA-N 2 0 314.473 3.719 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423054325 1027407794 /nfs/dbraw/zinc/40/77/94/1027407794.db2.gz UJZKMQKOKUPGJH-NSHDSACASA-N 2 0 324.266 3.538 20 0 DHADRP Fc1ccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1F ZINC000423053496 1027408529 /nfs/dbraw/zinc/40/85/29/1027408529.db2.gz SPSOWECCFLZATK-SJPCQFCGSA-N 2 0 320.427 3.502 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC(c2ccccc2)C1 ZINC000423115833 1027417862 /nfs/dbraw/zinc/41/78/62/1027417862.db2.gz OJSOWAFWNXWBMO-XPVQEHEOSA-N 2 0 308.469 3.728 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423101725 1027418126 /nfs/dbraw/zinc/41/81/26/1027418126.db2.gz IYUXNUBYXTZVRA-NHYWBVRUSA-N 2 0 316.367 3.753 20 0 DHADRP c1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2s1 ZINC000423123391 1027420630 /nfs/dbraw/zinc/42/06/30/1027420630.db2.gz MPKINTHQOPTTAG-BRWVUGGUSA-N 2 0 300.471 3.912 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423124283 1027422408 /nfs/dbraw/zinc/42/24/08/1027422408.db2.gz ODEFRPBGYWFCNQ-JYJNAYRXSA-N 2 0 314.395 3.515 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423124284 1027422431 /nfs/dbraw/zinc/42/24/31/1027422431.db2.gz ODEFRPBGYWFCNQ-XHSDSOJGSA-N 2 0 314.395 3.515 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000423122345 1027422570 /nfs/dbraw/zinc/42/25/70/1027422570.db2.gz KJTZZGWXCZXUMM-TTYHFUOFSA-N 2 0 308.425 3.641 20 0 DHADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000423103710 1027425093 /nfs/dbraw/zinc/42/50/93/1027425093.db2.gz XXEANTRTKGBDSC-DBVUQKKJSA-N 2 0 313.489 3.518 20 0 DHADRP c1cc2c(cccc2CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[nH]1 ZINC000423109145 1027425145 /nfs/dbraw/zinc/42/51/45/1027425145.db2.gz HBARCCYWKBVDJF-MISYRCLQSA-N 2 0 311.473 3.611 20 0 DHADRP CC[C@H](c1ccncc1)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000574797432 1027427154 /nfs/dbraw/zinc/42/71/54/1027427154.db2.gz ZFXFRAYDJHTEOL-LJQANCHMSA-N 2 0 321.428 3.554 20 0 DHADRP Cc1cc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1Cl ZINC000423141686 1027435588 /nfs/dbraw/zinc/43/55/88/1027435588.db2.gz RICBIEBCZXDWAV-KXBFYZLASA-N 2 0 316.876 3.739 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423186273 1027437471 /nfs/dbraw/zinc/43/74/71/1027437471.db2.gz OEOGQSPLXHXYNJ-VVHHDAOASA-N 2 0 308.425 3.533 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423186269 1027437824 /nfs/dbraw/zinc/43/78/24/1027437824.db2.gz OEOGQSPLXHXYNJ-DSYPUSFNSA-N 2 0 308.425 3.533 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423171073 1027438092 /nfs/dbraw/zinc/43/80/92/1027438092.db2.gz NIWCCDIISUCEFD-WMLDXEAASA-N 2 0 306.881 3.640 20 0 DHADRP COCCC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1 ZINC000423174612 1027442984 /nfs/dbraw/zinc/44/29/84/1027442984.db2.gz BJJOVFWLZTZTAQ-QGZVFWFLSA-N 2 0 308.441 3.545 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000574961530 1027443056 /nfs/dbraw/zinc/44/30/56/1027443056.db2.gz KHVDWRNQTKCBPQ-FDYSRKEFSA-N 2 0 300.490 3.892 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423208751 1027444426 /nfs/dbraw/zinc/44/44/26/1027444426.db2.gz DQENLLOHPVMXIG-FTRWYGJKSA-N 2 0 309.457 3.787 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000423206821 1027445529 /nfs/dbraw/zinc/44/55/29/1027445529.db2.gz CDALTFBPIIOXGO-JMLCCBQJSA-N 2 0 302.462 3.883 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CCS2 ZINC000423208743 1027446164 /nfs/dbraw/zinc/44/61/64/1027446164.db2.gz DOENYMDHBRBUHE-YQQAZPJKSA-N 2 0 304.503 3.818 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362929273 1027448390 /nfs/dbraw/zinc/44/83/90/1027448390.db2.gz BSHWYVUWUKSYDB-UHFFFAOYSA-N 2 0 303.425 3.517 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C(C)C)cc1 ZINC000575147305 1027458365 /nfs/dbraw/zinc/45/83/65/1027458365.db2.gz SFXQYEUXUYSXIN-ZHALLVOQSA-N 2 0 304.478 3.855 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423218484 1027461313 /nfs/dbraw/zinc/46/13/13/1027461313.db2.gz VRGAPBIRWOGUNG-XUJVJEKNSA-N 2 0 323.278 3.587 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423219088 1027462462 /nfs/dbraw/zinc/46/24/62/1027462462.db2.gz WBJJCFWECJQWSC-KXBFYZLASA-N 2 0 302.462 3.516 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423221897 1027462750 /nfs/dbraw/zinc/46/27/50/1027462750.db2.gz YPOBDRQGKZGATE-LZLYRXPVSA-N 2 0 304.478 3.904 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423218481 1027463052 /nfs/dbraw/zinc/46/30/52/1027463052.db2.gz VRGAPBIRWOGUNG-JMSVASOKSA-N 2 0 323.278 3.587 20 0 DHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423248660 1027474412 /nfs/dbraw/zinc/47/44/12/1027474412.db2.gz RVXFUAMWROSJSZ-AQNXPRMDSA-N 2 0 309.457 3.544 20 0 DHADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423253103 1027474505 /nfs/dbraw/zinc/47/45/05/1027474505.db2.gz VCNZGNMRNCBITC-VQIMIIECSA-N 2 0 304.478 3.762 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423249953 1027475568 /nfs/dbraw/zinc/47/55/68/1027475568.db2.gz PPRPYJAPEFZIJE-MGPUTAFESA-N 2 0 312.457 3.889 20 0 DHADRP COc1ccc2c(c1)[C@@H](N[C@@H](C[NH3+])C1CCCCC1)CCS2 ZINC000423260705 1027479872 /nfs/dbraw/zinc/47/98/72/1027479872.db2.gz IDVQCSIJABEZCJ-IRXDYDNUSA-N 2 0 320.502 3.729 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423284653 1027483260 /nfs/dbraw/zinc/48/32/60/1027483260.db2.gz YQNYFFBUIQFRLP-NHYWBVRUSA-N 2 0 300.368 3.602 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423284654 1027483398 /nfs/dbraw/zinc/48/33/98/1027483398.db2.gz YQNYFFBUIQFRLP-XHDPSFHLSA-N 2 0 300.368 3.602 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423293521 1027487005 /nfs/dbraw/zinc/48/70/05/1027487005.db2.gz ABRPCONSUZTHSH-BXUZGUMPSA-N 2 0 319.449 3.511 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423293528 1027487427 /nfs/dbraw/zinc/48/74/27/1027487427.db2.gz ABRPCONSUZTHSH-SMDDNHRTSA-N 2 0 319.449 3.511 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423268973 1027489624 /nfs/dbraw/zinc/48/96/24/1027489624.db2.gz GRSVPOSHPBVMJD-KCVJVMPHSA-N 2 0 304.478 3.536 20 0 DHADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423318489 1027499406 /nfs/dbraw/zinc/49/94/06/1027499406.db2.gz BUDHBDUXTHAJKI-LBPRGKRZSA-N 2 0 308.372 3.831 20 0 DHADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](C)C[NH3+])CCC3)cc1 ZINC000423296124 1027503102 /nfs/dbraw/zinc/50/31/02/1027503102.db2.gz GEURHPMRICMBOB-UKRRQHHQSA-N 2 0 315.486 3.680 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423331441 1027509179 /nfs/dbraw/zinc/50/91/79/1027509179.db2.gz OJGRWOAQJHLZQG-WFASDCNBSA-N 2 0 300.368 3.746 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423328871 1027511651 /nfs/dbraw/zinc/51/16/51/1027511651.db2.gz MIFXIRFVEREKER-LPHOPBHVSA-N 2 0 304.478 3.762 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)cc1 ZINC000423372251 1027518352 /nfs/dbraw/zinc/51/83/52/1027518352.db2.gz HAXWUUNJTLZOGS-CMKODMSKSA-N 2 0 310.441 3.644 20 0 DHADRP c1cncc([C@H]2CCC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC000423373544 1027518588 /nfs/dbraw/zinc/51/85/88/1027518588.db2.gz HREPXCFJPPCKCX-JXFKEZNVSA-N 2 0 307.441 3.501 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423362645 1027521323 /nfs/dbraw/zinc/52/13/23/1027521323.db2.gz BJTIYCJHKZRSIJ-LFVTVUPYSA-N 2 0 306.881 3.639 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC[NH2+]1 ZINC000423375874 1027523749 /nfs/dbraw/zinc/52/37/49/1027523749.db2.gz IYTDSTXXJYETBS-CDHQVMDDSA-N 2 0 312.432 3.840 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423365458 1027524109 /nfs/dbraw/zinc/52/41/09/1027524109.db2.gz BUDOOVHMWXKHDZ-GIUCASTKSA-N 2 0 316.489 3.693 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)c2ccccc2)c1 ZINC000423378697 1027526717 /nfs/dbraw/zinc/52/67/17/1027526717.db2.gz MPWZDWXUZDSMPP-PBEJRMEISA-N 2 0 324.468 3.709 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423376997 1027526981 /nfs/dbraw/zinc/52/69/81/1027526981.db2.gz VLBQGPMTXLSFLM-DYXWJJEUSA-N 2 0 324.468 3.839 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423391811 1027532114 /nfs/dbraw/zinc/53/21/14/1027532114.db2.gz LBKXXJAEHVDJAN-WCZJQEMASA-N 2 0 306.881 3.954 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CC[NH2+]1 ZINC000423385375 1027532287 /nfs/dbraw/zinc/53/22/87/1027532287.db2.gz QWGLVAAZBVBRQP-HSMVNMDESA-N 2 0 323.278 3.557 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2cccc(Br)c21 ZINC000423401779 1027534991 /nfs/dbraw/zinc/53/49/91/1027534991.db2.gz XJIPWEMOJJAHKW-BLTAXRJOSA-N 2 0 323.278 3.728 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(OC(F)F)c1 ZINC000423421335 1027537740 /nfs/dbraw/zinc/53/77/40/1027537740.db2.gz KFJQEHDZKGULHI-IHRRRGAJSA-N 2 0 312.404 3.704 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000423403113 1027538068 /nfs/dbraw/zinc/53/80/68/1027538068.db2.gz YEMHKBMVXJAZKD-UWVAXJGDSA-N 2 0 308.469 3.937 20 0 DHADRP COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000423424541 1027538676 /nfs/dbraw/zinc/53/86/76/1027538676.db2.gz FUTZBSSOQZUWPF-RYUDHWBXSA-N 2 0 314.857 3.525 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423427009 1027546392 /nfs/dbraw/zinc/54/63/92/1027546392.db2.gz QCBAAJMMERVEAA-BRWVUGGUSA-N 2 0 304.478 3.890 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H](C)CCCC[NH3+])CCCO2 ZINC000423432698 1027549209 /nfs/dbraw/zinc/54/92/09/1027549209.db2.gz MREQAUNVGNQJBU-CZUORRHYSA-N 2 0 310.869 3.969 20 0 DHADRP c1ccc(C([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423434881 1027550613 /nfs/dbraw/zinc/55/06/13/1027550613.db2.gz KQZMULNIMYPQSE-VQTJNVASSA-N 2 0 306.453 3.754 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423456504 1027553956 /nfs/dbraw/zinc/55/39/56/1027553956.db2.gz NUZKNGFKVXJLAO-NEPJUHHUSA-N 2 0 307.438 3.727 20 0 DHADRP Cc1cccc([C@@H]([NH2+][C@@H](C)CCC[NH3+])c2cccc(F)c2)c1 ZINC000423461726 1027555949 /nfs/dbraw/zinc/55/59/49/1027555949.db2.gz SZNXFSACOXRNCD-HNAYVOBHSA-N 2 0 300.421 3.941 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Br ZINC000423465398 1027556036 /nfs/dbraw/zinc/55/60/36/1027556036.db2.gz RQGJLRXCSIOTPG-XQQFMLRXSA-N 2 0 311.267 3.617 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000423467509 1027558592 /nfs/dbraw/zinc/55/85/92/1027558592.db2.gz JCWYYBPIAVNNPC-KZJGEROZSA-N 2 0 304.453 3.543 20 0 DHADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423478277 1027560735 /nfs/dbraw/zinc/56/07/35/1027560735.db2.gz KYZPBXLIEWWTAS-GDBMZVCRSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423476200 1027561641 /nfs/dbraw/zinc/56/16/41/1027561641.db2.gz IPINLEAXKPTKRD-ZBFHGGJFSA-N 2 0 315.486 3.993 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000423499642 1027564319 /nfs/dbraw/zinc/56/43/19/1027564319.db2.gz HUPWFPRYJOWMQU-XFJVYGCCSA-N 2 0 323.278 3.544 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000296189106 1027570210 /nfs/dbraw/zinc/57/02/10/1027570210.db2.gz YKEQQFJEAWDCTQ-GVDBMIGSSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423484915 1027570622 /nfs/dbraw/zinc/57/06/22/1027570622.db2.gz RHRIZZKAMSFIST-HNAYVOBHSA-N 2 0 311.473 3.976 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000296189109 1027570826 /nfs/dbraw/zinc/57/08/26/1027570826.db2.gz YKEQQFJEAWDCTQ-IXDOHACOSA-N 2 0 308.416 3.532 20 0 DHADRP Brc1cccc2c1CC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423486980 1027572263 /nfs/dbraw/zinc/57/22/63/1027572263.db2.gz TYGIDIIRHGIZTR-WBMJQRKESA-N 2 0 323.278 3.558 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423491042 1027575000 /nfs/dbraw/zinc/57/50/00/1027575000.db2.gz IYKMPSZNSTYUOG-CFVMTHIKSA-N 2 0 312.910 3.928 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423491103 1027575407 /nfs/dbraw/zinc/57/54/07/1027575407.db2.gz JEASGGHEWBKWTB-SGMGOOAPSA-N 2 0 314.445 3.822 20 0 DHADRP C[C@H](CCc1ccsc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423517227 1027578353 /nfs/dbraw/zinc/57/83/53/1027578353.db2.gz BHWGKVXKUFFQAK-OCUVBNDUSA-N 2 0 318.530 3.812 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC000296222896 1027578373 /nfs/dbraw/zinc/57/83/73/1027578373.db2.gz BYLDTKNITNCXLI-ZDUSSCGKSA-N 2 0 310.432 3.921 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423522120 1027580666 /nfs/dbraw/zinc/58/06/66/1027580666.db2.gz XKWHNXVTVPJINY-KCQAQPDRSA-N 2 0 301.459 3.588 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(F)cc(F)c32)CC1 ZINC000576198799 1027581478 /nfs/dbraw/zinc/58/14/78/1027581478.db2.gz XQYGKSFWOLYYGZ-INIZCTEOSA-N 2 0 324.415 3.500 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539016 1027582752 /nfs/dbraw/zinc/58/27/52/1027582752.db2.gz OHOHVDQRAMLRSB-GFCCVEGCSA-N 2 0 313.272 3.824 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(F)cc(F)c32)CC1 ZINC000576198800 1027582965 /nfs/dbraw/zinc/58/29/65/1027582965.db2.gz XQYGKSFWOLYYGZ-MRXNPFEDSA-N 2 0 324.415 3.500 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccsc2S1 ZINC000423542189 1027583969 /nfs/dbraw/zinc/58/39/69/1027583969.db2.gz LXKKDWSJKNDNQE-WHPHWUKISA-N 2 0 308.516 3.651 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423537569 1027584170 /nfs/dbraw/zinc/58/41/70/1027584170.db2.gz DEIOSKKHHCJCSN-CFAJVAMVSA-N 2 0 320.864 3.531 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000423547623 1027585625 /nfs/dbraw/zinc/58/56/25/1027585625.db2.gz QBTCLQDGNVWWSN-YLFCFFPRSA-N 2 0 324.468 3.887 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1OC ZINC000423551117 1027585927 /nfs/dbraw/zinc/58/59/27/1027585927.db2.gz TWBAMFLIQIGKOA-SHFYGJNESA-N 2 0 322.880 3.777 20 0 DHADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000423554529 1027586027 /nfs/dbraw/zinc/58/60/27/1027586027.db2.gz WRSHXNIPHZJWCI-MBDNFAEBSA-N 2 0 320.480 3.948 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546064 1027586234 /nfs/dbraw/zinc/58/62/34/1027586234.db2.gz YLHUAFFSQAWBEZ-IBGZPJMESA-N 2 0 309.457 3.753 20 0 DHADRP Cc1sccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000562768359 1027594663 /nfs/dbraw/zinc/59/46/63/1027594663.db2.gz KSSDLNVGINTOQR-SFHVURJKSA-N 2 0 314.498 3.711 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000576419399 1027612841 /nfs/dbraw/zinc/61/28/41/1027612841.db2.gz QRPOZAPHDVNXIK-KKSFZXQISA-N 2 0 324.468 3.965 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000363546420 1027670067 /nfs/dbraw/zinc/67/00/67/1027670067.db2.gz RMYGSFCLQPQIHA-YQVWRLOYSA-N 2 0 314.473 3.734 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000296794372 1027733865 /nfs/dbraw/zinc/73/38/65/1027733865.db2.gz SYGBMUKKBBZEKG-KRWDZBQOSA-N 2 0 318.505 3.658 20 0 DHADRP CCCCCOc1cc(CN2CC[C@H]([NH3+])C[C@H]2C)ccc1OC ZINC000577383840 1027761551 /nfs/dbraw/zinc/76/15/51/1027761551.db2.gz KIHUWITUKQIDDK-WBVHZDCISA-N 2 0 320.477 3.576 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+]CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001170714992 1027777112 /nfs/dbraw/zinc/77/71/12/1027777112.db2.gz CUYCUOSQVZKUAE-OWZKRDHZSA-N 2 0 312.501 3.923 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccn1 ZINC000527641335 1027799508 /nfs/dbraw/zinc/79/95/08/1027799508.db2.gz SXPLMVAGKTYAJP-QGZVFWFLSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527692070 1027830791 /nfs/dbraw/zinc/83/07/91/1027830791.db2.gz PJEYNIDQHOHNNJ-QAPCUYQASA-N 2 0 311.473 3.911 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000577600575 1027840924 /nfs/dbraw/zinc/84/09/24/1027840924.db2.gz OXKPCVYKXQRPTL-LIMHQNJXSA-N 2 0 316.489 3.552 20 0 DHADRP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527846581 1027905411 /nfs/dbraw/zinc/90/54/11/1027905411.db2.gz FUWIJSCLSYSDJF-LJQANCHMSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000365365367 1027932510 /nfs/dbraw/zinc/93/25/10/1027932510.db2.gz QNEBYLFLJASRMO-OAHLLOKOSA-N 2 0 313.445 3.676 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000934230276 1027938623 /nfs/dbraw/zinc/93/86/23/1027938623.db2.gz OTDFOLFUMCFECN-GOSISDBHSA-N 2 0 323.484 3.788 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH+]3CCC([NH3+])(Cc4cccc(F)c4)CC3)C[C@@H]21 ZINC001170738463 1028003957 /nfs/dbraw/zinc/00/39/57/1028003957.db2.gz MMCKWSLSMAFZPR-BCDXTJNWSA-N 2 0 316.464 3.596 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([N@H+]3C[C@H]4CN(Cc5cccs5)C[C@H]4C3)C[C@@H]21 ZINC001170746466 1028035803 /nfs/dbraw/zinc/03/58/03/1028035803.db2.gz NDZBQDYHNZUYPV-QYGHISBQSA-N 2 0 316.514 3.546 20 0 DHADRP CC1(C)CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000563440538 1028045702 /nfs/dbraw/zinc/04/57/02/1028045702.db2.gz MDGXBDZXHXXWPS-UHOSZYNNSA-N 2 0 322.537 3.703 20 0 DHADRP Cc1noc(C2CCC([NH2+]CCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC000366501543 1028088833 /nfs/dbraw/zinc/08/88/33/1028088833.db2.gz UFOVHYKNQPPFJR-UHFFFAOYSA-N 2 0 322.497 3.503 20 0 DHADRP CO[C@H]1CCC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367055830 1028126700 /nfs/dbraw/zinc/12/67/00/1028126700.db2.gz TYNXZQKKDFUKDN-GUMHCPJTSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000367063915 1028129646 /nfs/dbraw/zinc/12/96/46/1028129646.db2.gz APFQPSOMZRLKGQ-UWWQBHOKSA-N 2 0 324.896 3.736 20 0 DHADRP C[N@H+](CCC[NH2+]C1CC(c2ccccn2)C1)C1CCCCC1 ZINC000367302632 1028163042 /nfs/dbraw/zinc/16/30/42/1028163042.db2.gz VRIYCTDVGMCGEV-UHFFFAOYSA-N 2 0 301.478 3.572 20 0 DHADRP CC(C)C1CCC(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000578557028 1028180236 /nfs/dbraw/zinc/18/02/36/1028180236.db2.gz AJKOXCOXGVOWQK-ZCFHBRKKSA-N 2 0 322.537 3.632 20 0 DHADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000367686223 1028225678 /nfs/dbraw/zinc/22/56/78/1028225678.db2.gz LVBNMYLACUJARA-INIZCTEOSA-N 2 0 321.534 3.505 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ncc(C(C)(C)C)s3)C2)CC1 ZINC000367681929 1028225939 /nfs/dbraw/zinc/22/59/39/1028225939.db2.gz DYQPNAQKLGWENH-OAHLLOKOSA-N 2 0 321.534 3.604 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC(c2ccccn2)C1 ZINC000368019693 1028281523 /nfs/dbraw/zinc/28/15/23/1028281523.db2.gz SUKQTSWIDZHJNT-AOCRQIFASA-N 2 0 301.478 3.572 20 0 DHADRP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001138464305 1028304080 /nfs/dbraw/zinc/30/40/80/1028304080.db2.gz VDIIJHAUMBZHDP-RDTXWAMCSA-N 2 0 300.471 3.593 20 0 DHADRP CN1CC[C@@H](C[N@H+](C)[C@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cccnc1 ZINC000368262619 1028323747 /nfs/dbraw/zinc/32/37/47/1028323747.db2.gz ZLJCVMQNGKGVKJ-WOZUAGRISA-N 2 0 321.468 3.562 20 0 DHADRP C[NH+]1CCN(CCC[NH2+][C@H](CCC2CCCC2)C(C)(C)C)CC1 ZINC000564143564 1028324398 /nfs/dbraw/zinc/32/43/98/1028324398.db2.gz JUIZTIQIGOENAN-LJQANCHMSA-N 2 0 323.569 3.599 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000815107900 1028380082 /nfs/dbraw/zinc/38/00/82/1028380082.db2.gz OJOITEPTEVBVDY-UHFFFAOYSA-N 2 0 315.505 3.821 20 0 DHADRP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449168088 1028411247 /nfs/dbraw/zinc/41/12/47/1028411247.db2.gz LUSAKTKFVDJLHY-QGZVFWFLSA-N 2 0 312.542 3.662 20 0 DHADRP CC[C@H](CCO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449192375 1028430040 /nfs/dbraw/zinc/43/00/40/1028430040.db2.gz LOGQCQKERZUHLD-MRXNPFEDSA-N 2 0 312.542 3.664 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000369111784 1028446011 /nfs/dbraw/zinc/44/60/11/1028446011.db2.gz ITPHYPLYWCPEPR-YLJYHZDGSA-N 2 0 315.505 3.818 20 0 DHADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000369117871 1028448081 /nfs/dbraw/zinc/44/80/81/1028448081.db2.gz SFERJHIEGOVHGV-PKOBYXMFSA-N 2 0 313.489 3.572 20 0 DHADRP C[NH+](C)CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000579626720 1028452973 /nfs/dbraw/zinc/45/29/73/1028452973.db2.gz GVOXGEDFJDLROU-IBGZPJMESA-N 2 0 300.421 3.651 20 0 DHADRP c1ccc(OCCCCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000564656862 1028487133 /nfs/dbraw/zinc/48/71/33/1028487133.db2.gz WXZXNAMQBSLYFE-FQEVSTJZSA-N 2 0 316.489 3.700 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000564649650 1028487198 /nfs/dbraw/zinc/48/71/98/1028487198.db2.gz IZHZWJXNDGNAKU-CKEIUWERSA-N 2 0 300.450 3.524 20 0 DHADRP Cc1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000449240958 1028487975 /nfs/dbraw/zinc/48/79/75/1028487975.db2.gz QDYLRDRGLHDUNG-UHFFFAOYSA-N 2 0 315.486 3.800 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000564823892 1028507588 /nfs/dbraw/zinc/50/75/88/1028507588.db2.gz NGWWFECOYHIUOC-IAGOWNOFSA-N 2 0 318.367 3.565 20 0 DHADRP COc1cccc2c(C[N@@H+]3CCCC34CC[NH+](C)CC4)cccc12 ZINC000449263172 1028513613 /nfs/dbraw/zinc/51/36/13/1028513613.db2.gz HGMQICVZORAXDP-UHFFFAOYSA-N 2 0 324.468 3.909 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000449295769 1028518071 /nfs/dbraw/zinc/51/80/71/1028518071.db2.gz VCDJPJLNUNAZIK-OAHLLOKOSA-N 2 0 322.443 3.717 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCOC(F)F)CC1 ZINC000449307167 1028527169 /nfs/dbraw/zinc/52/71/69/1028527169.db2.gz ONENNEPDCRUZEY-UHFFFAOYSA-N 2 0 320.468 3.885 20 0 DHADRP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322964 1028534798 /nfs/dbraw/zinc/53/47/98/1028534798.db2.gz QUOICMBZVUYDPG-IAGOWNOFSA-N 2 0 324.553 3.928 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc2ccccc21 ZINC000449345500 1028559505 /nfs/dbraw/zinc/55/95/05/1028559505.db2.gz WDHIRBWPTBEMEK-NRFANRHFSA-N 2 0 324.468 3.766 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000565225791 1028560301 /nfs/dbraw/zinc/56/03/01/1028560301.db2.gz GYWVWQGLDLBKTM-BFYDXBDKSA-N 2 0 304.434 3.836 20 0 DHADRP CC(F)(F)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449348197 1028561872 /nfs/dbraw/zinc/56/18/72/1028561872.db2.gz BNJKUYPILCFBAN-RCCFBDPRSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000449354203 1028587386 /nfs/dbraw/zinc/58/73/86/1028587386.db2.gz LACNLBWFHCGJEN-PXNSSMCTSA-N 2 0 322.537 3.826 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC[C@H](C)F)ccc1OC ZINC000815645492 1028589768 /nfs/dbraw/zinc/58/97/68/1028589768.db2.gz HNHMWDWZKARDRS-GJZGRUSLSA-N 2 0 310.457 3.936 20 0 DHADRP Cc1ccc(NC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000370505855 1028610520 /nfs/dbraw/zinc/61/05/20/1028610520.db2.gz ZNAANJSHEIYAHH-HXUWFJFHSA-N 2 0 315.505 3.746 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000449402074 1028621170 /nfs/dbraw/zinc/62/11/70/1028621170.db2.gz JOPGKTVWJKATIP-CAMMJAKZSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCOCC1 ZINC001170801606 1028621389 /nfs/dbraw/zinc/62/13/89/1028621389.db2.gz YWHBRNCUHYMFJJ-VAMGGRTRSA-N 2 0 316.489 3.636 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000370620751 1028626874 /nfs/dbraw/zinc/62/68/74/1028626874.db2.gz WXPKBFTYCBGAIO-QINHECLXSA-N 2 0 309.457 3.567 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](C[C@H]2CCCCO2)CC1 ZINC000371109055 1028670474 /nfs/dbraw/zinc/67/04/74/1028670474.db2.gz UKRFJDALTKKVIF-VQTJNVASSA-N 2 0 316.489 3.542 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C[C@H]2CCCCO2)CC1 ZINC000371109057 1028671737 /nfs/dbraw/zinc/67/17/37/1028671737.db2.gz UKRFJDALTKKVIF-WOJBJXKFSA-N 2 0 316.489 3.542 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1CC[NH2+]CC1 ZINC000566088051 1028678145 /nfs/dbraw/zinc/67/81/45/1028678145.db2.gz RQKXYMAWGKRAAD-HNNXBMFYSA-N 2 0 313.489 3.813 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2ccccc21 ZINC000371299718 1028686435 /nfs/dbraw/zinc/68/64/35/1028686435.db2.gz JTWLPKKHKQDDFJ-NRSPTQNISA-N 2 0 324.468 3.523 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371686096 1028746201 /nfs/dbraw/zinc/74/62/01/1028746201.db2.gz RBTCIUVOJLLMPR-BHYGNILZSA-N 2 0 304.503 3.556 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000372054619 1028799101 /nfs/dbraw/zinc/79/91/01/1028799101.db2.gz ARYOPVGKLOAEIK-DZGCQCFKSA-N 2 0 306.416 3.962 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1OC(F)(F)F ZINC000567387003 1028884015 /nfs/dbraw/zinc/88/40/15/1028884015.db2.gz WRRFQIRLTNCQJF-LBPRGKRZSA-N 2 0 324.346 3.895 20 0 DHADRP Cc1ncccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000372806580 1028904345 /nfs/dbraw/zinc/90/43/45/1028904345.db2.gz VVDULNMRHMMSBH-UTKZUKDTSA-N 2 0 323.484 3.732 20 0 DHADRP CC(C)N1CCc2nc(C[NH2+][C@H](C)C3CCCC3)sc2C1 ZINC000449705575 1028928423 /nfs/dbraw/zinc/92/84/23/1028928423.db2.gz KVVYUAQTGDBCTR-CYBMUJFWSA-N 2 0 307.507 3.578 20 0 DHADRP CC1(c2ccc(F)cc2)CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000372993311 1028932949 /nfs/dbraw/zinc/93/29/49/1028932949.db2.gz QHEGKZSWBFNXTK-UHFFFAOYSA-N 2 0 316.464 3.710 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000816556052 1028943133 /nfs/dbraw/zinc/94/31/33/1028943133.db2.gz YNIDSNVNPBEMGR-IPJUCJBFSA-N 2 0 316.489 3.710 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000628228204 1028947965 /nfs/dbraw/zinc/94/79/65/1028947965.db2.gz HQCWCYDEADZAFK-JYBIWHBTSA-N 2 0 322.537 3.560 20 0 DHADRP Cc1ccc2ccnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000567750492 1028949067 /nfs/dbraw/zinc/94/90/67/1028949067.db2.gz ZKGXQUKSAFQKBT-YLJYHZDGSA-N 2 0 321.468 3.996 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449756587 1028978390 /nfs/dbraw/zinc/97/83/90/1028978390.db2.gz BMFGVTVYEYFVDG-MTFMMBMASA-N 2 0 322.537 3.967 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628308959 1028996131 /nfs/dbraw/zinc/99/61/31/1028996131.db2.gz UEGXLGGYSQLQEM-OAHLLOKOSA-N 2 0 314.395 3.569 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568131963 1029011848 /nfs/dbraw/zinc/01/18/48/1029011848.db2.gz ZWMJBWZANFPISJ-JYBIWHBTSA-N 2 0 300.490 3.889 20 0 DHADRP CC(C)(C)CC[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373480396 1029056388 /nfs/dbraw/zinc/05/63/88/1029056388.db2.gz BUAOHZHBXHCYJM-UHFFFAOYSA-N 2 0 306.416 3.818 20 0 DHADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCCOC1 ZINC000411285261 1029089287 /nfs/dbraw/zinc/08/92/87/1029089287.db2.gz ZQQILAHALTZNGH-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP Cc1ccc2ncc(CN3CCC[C@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000411290579 1029092117 /nfs/dbraw/zinc/09/21/17/1029092117.db2.gz JBLSLMZFFHPSNQ-FQEVSTJZSA-N 2 0 323.484 3.994 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000373642056 1029104700 /nfs/dbraw/zinc/10/47/00/1029104700.db2.gz CSIRTYXIZHGTHX-NVXWUHKLSA-N 2 0 304.453 3.924 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000373645974 1029105410 /nfs/dbraw/zinc/10/54/10/1029105410.db2.gz UYFPQWHNWXUPAI-FDQIELQPSA-N 2 0 304.453 3.780 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000373696610 1029116340 /nfs/dbraw/zinc/11/63/40/1029116340.db2.gz MKFGVNOBYXDJGT-UAFMIMERSA-N 2 0 322.537 3.826 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925496786 1029117712 /nfs/dbraw/zinc/11/77/12/1029117712.db2.gz CIJLUQKFFBTKNQ-QYZOEREBSA-N 2 0 316.489 3.650 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000373698986 1029117823 /nfs/dbraw/zinc/11/78/23/1029117823.db2.gz WKNREQNSSIDGSC-UAFMIMERSA-N 2 0 322.537 3.683 20 0 DHADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000411403131 1029122877 /nfs/dbraw/zinc/12/28/77/1029122877.db2.gz AREQKXPNYBAKJV-SFHVURJKSA-N 2 0 304.503 3.610 20 0 DHADRP CO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000411693719 1029184895 /nfs/dbraw/zinc/18/48/95/1029184895.db2.gz MFSBMRNGYKWLIF-XLIONFOSSA-N 2 0 316.489 3.672 20 0 DHADRP CO[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411698260 1029187833 /nfs/dbraw/zinc/18/78/33/1029187833.db2.gz UMANEPGDWDVUJK-PXNSSMCTSA-N 2 0 316.489 3.672 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000569199922 1029193750 /nfs/dbraw/zinc/19/37/50/1029193750.db2.gz ARCXAJZKJHPTQT-SMDDNHRTSA-N 2 0 321.877 3.681 20 0 DHADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000411800836 1029211833 /nfs/dbraw/zinc/21/18/33/1029211833.db2.gz NAKTWZUXGVYYSM-FXAWDEMLSA-N 2 0 316.489 3.529 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000817901786 1029272361 /nfs/dbraw/zinc/27/23/61/1029272361.db2.gz YTYQLSWZGZXGDS-PNGKTBNWSA-N 3 0 313.489 3.518 20 0 DHADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1cccc3[nH]ccc31)CC2)C1CC1 ZINC000374283715 1029272965 /nfs/dbraw/zinc/27/29/65/1029272965.db2.gz OUUJXEFFWFLKCN-QGZVFWFLSA-N 2 0 323.484 3.864 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817905767 1029273642 /nfs/dbraw/zinc/27/36/42/1029273642.db2.gz SUAQWYKSUSKYMN-PDWMJMLSSA-N 2 0 322.468 3.538 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817911609 1029275253 /nfs/dbraw/zinc/27/52/53/1029275253.db2.gz PZRBFGPHNCTSAS-GCKMJXCFSA-N 2 0 324.468 3.816 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000817913103 1029276713 /nfs/dbraw/zinc/27/67/13/1029276713.db2.gz DQHMJOTVYQRRIR-UXHICEINSA-N 2 0 315.505 3.767 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1nccc2ccccc21 ZINC000817947872 1029288597 /nfs/dbraw/zinc/28/85/97/1029288597.db2.gz DGNFGYWNGOOTHS-HNNXBMFYSA-N 2 0 305.425 3.587 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)c(Cl)c1 ZINC000817947707 1029288944 /nfs/dbraw/zinc/28/89/44/1029288944.db2.gz FYBIIXFCKILYHZ-LBPRGKRZSA-N 2 0 306.812 3.831 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817948157 1029290028 /nfs/dbraw/zinc/29/00/28/1029290028.db2.gz FNIXOPZXCIWYOE-WOJBJXKFSA-N 2 0 323.484 3.707 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817948153 1029290623 /nfs/dbraw/zinc/29/06/23/1029290623.db2.gz FNIXOPZXCIWYOE-UXHICEINSA-N 2 0 323.484 3.707 20 0 DHADRP Cc1cc([C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C2CC2)ccc1F ZINC000817949939 1029292962 /nfs/dbraw/zinc/29/29/62/1029292962.db2.gz UPDKPBCPNSDBNV-FQEVSTJZSA-N 2 0 312.432 3.876 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817960644 1029299927 /nfs/dbraw/zinc/29/99/27/1029299927.db2.gz OVZAAFHFNPLQOW-BHDSKKPTSA-N 2 0 316.276 3.744 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000817961697 1029301588 /nfs/dbraw/zinc/30/15/88/1029301588.db2.gz AGVLEIOAUKZNEX-KUHUBIRLSA-N 2 0 310.441 3.882 20 0 DHADRP C1CC([C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCOC2)C1 ZINC000925227127 1029310257 /nfs/dbraw/zinc/31/02/57/1029310257.db2.gz BJXWCBRMTQZCAQ-OAHAVBBTSA-N 2 0 320.521 3.578 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000570349671 1029354877 /nfs/dbraw/zinc/35/48/77/1029354877.db2.gz UPEZLFZUGIQETQ-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](COCc2ccccc2)C(C)C)CC1 ZINC000570358350 1029355822 /nfs/dbraw/zinc/35/58/22/1029355822.db2.gz KVMUEBZQPTVABB-HXUWFJFHSA-N 2 0 318.505 3.549 20 0 DHADRP FC(F)(F)c1sccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000529526745 1029356000 /nfs/dbraw/zinc/35/60/00/1029356000.db2.gz ZAPDOKQVURIKQS-UHFFFAOYSA-N 2 0 315.364 3.870 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)nc1 ZINC000629525491 1029357378 /nfs/dbraw/zinc/35/73/78/1029357378.db2.gz ZMRVYFQZCLJRHQ-IRXDYDNUSA-N 2 0 303.494 3.568 20 0 DHADRP Cc1ccc2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2c1 ZINC000629533318 1029360662 /nfs/dbraw/zinc/36/06/62/1029360662.db2.gz UEHHGPWIECCBAP-LJQANCHMSA-N 2 0 309.457 3.507 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629546097 1029363542 /nfs/dbraw/zinc/36/35/42/1029363542.db2.gz FRKBSBPJKQKTJZ-USBNGQNGSA-N 2 0 305.853 3.914 20 0 DHADRP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cc2c1 ZINC000629545796 1029364107 /nfs/dbraw/zinc/36/41/07/1029364107.db2.gz JBGMYARYLLCLIL-OXQOHEQNSA-N 2 0 311.473 3.883 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000629551597 1029367244 /nfs/dbraw/zinc/36/72/44/1029367244.db2.gz WERNXZJYPSTNFJ-BFHYXJOUSA-N 2 0 304.400 3.619 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529542616 1029384185 /nfs/dbraw/zinc/38/41/85/1029384185.db2.gz QNWNOGOCWHEQAE-UXLLHSPISA-N 2 0 322.443 3.920 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550714 1029406216 /nfs/dbraw/zinc/40/62/16/1029406216.db2.gz PKCFZNSTSXBOLJ-RHSMWYFYSA-N 2 0 308.416 3.674 20 0 DHADRP [NH3+]C[C@H]1CN(Cc2cccc(C3CC3)c2)CC[C@H]1C(F)(F)F ZINC000629653392 1029406405 /nfs/dbraw/zinc/40/64/05/1029406405.db2.gz GIVJOVIFZIYKKH-JKSUJKDBSA-N 2 0 312.379 3.523 20 0 DHADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629653355 1029407646 /nfs/dbraw/zinc/40/76/46/1029407646.db2.gz FFERJZYXFOCISD-MJBXVCDLSA-N 2 0 306.416 3.662 20 0 DHADRP C[NH+](C)CCOc1cccc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000629699783 1029430750 /nfs/dbraw/zinc/43/07/50/1029430750.db2.gz BKPSIYNIOZGUFH-UHFFFAOYSA-N 2 0 310.441 3.546 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)COCc1ccccc1 ZINC000389923407 1029436799 /nfs/dbraw/zinc/43/67/99/1029436799.db2.gz UETYWGFBUGAJAP-XPGWFJOJSA-N 2 0 310.441 3.574 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000818960354 1029437906 /nfs/dbraw/zinc/43/79/06/1029437906.db2.gz YKNVIZROCQHWOD-QAPCUYQASA-N 2 0 324.896 3.618 20 0 DHADRP CCN(C)CC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000571001501 1029443396 /nfs/dbraw/zinc/44/33/96/1029443396.db2.gz SBSSKHGOFDDTPR-RAXLEYEMSA-N 2 0 300.368 3.650 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000450449425 1029482747 /nfs/dbraw/zinc/48/27/47/1029482747.db2.gz BZKWQAANMSCYTO-KRWDZBQOSA-N 2 0 306.881 3.546 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450712861 1029625927 /nfs/dbraw/zinc/62/59/27/1029625927.db2.gz GHMLJNFKXFOTRM-UHFFFAOYSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820811784 1029768635 /nfs/dbraw/zinc/76/86/35/1029768635.db2.gz WDCUNDQZARJKGO-OXJNMPFZSA-N 2 0 312.457 3.523 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820810834 1029768912 /nfs/dbraw/zinc/76/89/12/1029768912.db2.gz GAEGLENKEZOMHB-OLZOCXBDSA-N 2 0 301.434 3.765 20 0 DHADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820816251 1029771383 /nfs/dbraw/zinc/77/13/83/1029771383.db2.gz ZBEUBBSSIPPZMR-RVKKMQEKSA-N 2 0 316.445 3.504 20 0 DHADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530218529 1029779984 /nfs/dbraw/zinc/77/99/84/1029779984.db2.gz GQTIDHIMRZCFFB-UYAOXDASSA-N 2 0 323.415 3.892 20 0 DHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000530218838 1029787118 /nfs/dbraw/zinc/78/71/18/1029787118.db2.gz XOUPLYSAUCWEHV-DJIMGWMZSA-N 2 0 304.865 3.850 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCc3cccc(F)c3C2)cc1 ZINC001170956819 1029794586 /nfs/dbraw/zinc/79/45/86/1029794586.db2.gz HXCUYKCYIDCFGM-GOSISDBHSA-N 2 0 312.432 3.534 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000392198472 1029814560 /nfs/dbraw/zinc/81/45/60/1029814560.db2.gz WHLFQWWCSZQDKR-UHFFFAOYSA-N 2 0 316.445 3.906 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865606499 1029935234 /nfs/dbraw/zinc/93/52/34/1029935234.db2.gz BCBQHVBFHBLZNK-UHFFFAOYSA-N 2 0 304.478 3.826 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246157279 1029945175 /nfs/dbraw/zinc/94/51/75/1029945175.db2.gz FQTXXEVZPGKYQW-ZIAGYGMSSA-N 2 0 301.261 3.656 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nccc3ccccc32)CC1 ZINC000865717017 1029986884 /nfs/dbraw/zinc/98/68/84/1029986884.db2.gz LDDVDSWABRRJQK-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP C[NH+](C)CCC1CCN(Cc2ccnc(Cl)c2Cl)CC1 ZINC000290358620 1030014227 /nfs/dbraw/zinc/01/42/27/1030014227.db2.gz GMIJMMRXOPUBNE-UHFFFAOYSA-N 2 0 316.276 3.552 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000865765477 1030014675 /nfs/dbraw/zinc/01/46/75/1030014675.db2.gz WQVZVVSCJBBWAP-OXHPOLQJSA-N 2 0 315.505 3.960 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000865765839 1030014929 /nfs/dbraw/zinc/01/49/29/1030014929.db2.gz OKGOFHCTONLANR-UHFFFAOYSA-N 2 0 312.404 3.641 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000865765403 1030015171 /nfs/dbraw/zinc/01/51/71/1030015171.db2.gz SYZREAFUMCLYJO-SNAWJCMRSA-N 2 0 308.416 3.831 20 0 DHADRP ClC1(Cl)C[C@@H]1CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000822634493 1030094129 /nfs/dbraw/zinc/09/41/29/1030094129.db2.gz HJEVVXWZRORABE-KBPBESRZSA-N 2 0 305.293 3.521 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000530953230 1030100858 /nfs/dbraw/zinc/10/08/58/1030100858.db2.gz SCALAKCFNTXIKI-IAGOWNOFSA-N 2 0 314.477 3.553 20 0 DHADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000290622176 1030128805 /nfs/dbraw/zinc/12/88/05/1030128805.db2.gz XHLXJKCWYHCZHJ-SUMWQHHRSA-N 2 0 317.864 3.660 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC001246213193 1030148805 /nfs/dbraw/zinc/14/88/05/1030148805.db2.gz TYHBRTNCXHQGJG-CYBMUJFWSA-N 2 0 312.910 3.800 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cnn(C2CCC2)c1 ZINC000924687066 1030160082 /nfs/dbraw/zinc/16/00/82/1030160082.db2.gz NQBFPVNPHCOZKA-SJORKVTESA-N 2 0 318.509 3.913 20 0 DHADRP Cc1ccc([C@H]([NH2+]CCCCn2ccnc2)c2ccccn2)cc1 ZINC000924730845 1030173620 /nfs/dbraw/zinc/17/36/20/1030173620.db2.gz HMENDXYHKXNRQG-FQEVSTJZSA-N 2 0 320.440 3.746 20 0 DHADRP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000866249746 1030180381 /nfs/dbraw/zinc/18/03/81/1030180381.db2.gz NCJJEQSAOSVLAV-LJQANCHMSA-N 2 0 302.437 3.810 20 0 DHADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000357787074 1030190141 /nfs/dbraw/zinc/19/01/41/1030190141.db2.gz YQUFMRIXZWJSLJ-FUHWJXTLSA-N 2 0 304.478 3.776 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)[C@@H](C)C1 ZINC000245917635 1030195221 /nfs/dbraw/zinc/19/52/21/1030195221.db2.gz FUHOWGYASSIPMY-LPHOPBHVSA-N 2 0 309.457 3.569 20 0 DHADRP C1CC([C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCCO2)C1 ZINC000866281416 1030201581 /nfs/dbraw/zinc/20/15/81/1030201581.db2.gz HUVNEELEROAACG-GHBBCFCZSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000924858053 1030211223 /nfs/dbraw/zinc/21/12/23/1030211223.db2.gz KXJFHBUYNFOJTN-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171010744 1030229908 /nfs/dbraw/zinc/22/99/08/1030229908.db2.gz CADZRCWIKAAMGR-MRXNPFEDSA-N 2 0 306.881 3.519 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc2ccccc21 ZINC000924963498 1030238330 /nfs/dbraw/zinc/23/83/30/1030238330.db2.gz JXPXBOXTTOHENZ-OAHLLOKOSA-N 2 0 312.457 3.841 20 0 DHADRP CC[N@@H+]1CC[C@@H](NCc2ccc(-c3csc(C)n3)o2)[C@@H](C)C1 ZINC000358015859 1030278087 /nfs/dbraw/zinc/27/80/87/1030278087.db2.gz FXMSOHBCLVWWST-SWLSCSKDSA-N 2 0 319.474 3.531 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000866402299 1030281297 /nfs/dbraw/zinc/28/12/97/1030281297.db2.gz JDSHIMCCVZRAEA-SOLBZPMBSA-N 2 0 310.551 3.762 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144591 1030283906 /nfs/dbraw/zinc/28/39/06/1030283906.db2.gz VAQPZPUFMSXKBH-SCVCMEIPSA-N 2 0 306.397 3.900 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467768 1030309251 /nfs/dbraw/zinc/30/92/51/1030309251.db2.gz PVGZUKWCXZGJGM-MRXNPFEDSA-N 2 0 303.494 3.805 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)cn1 ZINC000866467368 1030311044 /nfs/dbraw/zinc/31/10/44/1030311044.db2.gz GAPGUOXQYMWNHO-MRXNPFEDSA-N 2 0 306.498 3.625 20 0 DHADRP C1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C2(CCCCC2)O1 ZINC000925229500 1030311393 /nfs/dbraw/zinc/31/13/93/1030311393.db2.gz NGPHCCZRZSZNLS-ACBHZAAOSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866478027 1030314053 /nfs/dbraw/zinc/31/40/53/1030314053.db2.gz DJABGEXBMRRFIH-CRAIPNDOSA-N 2 0 322.518 3.563 20 0 DHADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925230990 1030315329 /nfs/dbraw/zinc/31/53/29/1030315329.db2.gz AHBDEMGFLUNHMB-QGZVFWFLSA-N 2 0 319.493 3.708 20 0 DHADRP Cc1cc2c(CC[NH2+]C3CC[NH+](C(C)C)CC3)c[nH]c2cc1F ZINC000866493272 1030325250 /nfs/dbraw/zinc/32/52/50/1030325250.db2.gz ZCBJTTSYVONMOU-UHFFFAOYSA-N 2 0 317.452 3.620 20 0 DHADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925306066 1030339925 /nfs/dbraw/zinc/33/99/25/1030339925.db2.gz FVETVOSWMKIHQV-OAHLLOKOSA-N 2 0 307.869 3.575 20 0 DHADRP CC(C)[NH+]1CCC(N[C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925304644 1030340336 /nfs/dbraw/zinc/34/03/36/1030340336.db2.gz XEUSUTBIPLZJDQ-MRXNPFEDSA-N 2 0 307.869 3.575 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c(F)c1 ZINC000866517009 1030342137 /nfs/dbraw/zinc/34/21/37/1030342137.db2.gz USJPKRMGGMNZMW-VNSJNIRKSA-N 2 0 308.441 3.748 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517330 1030342470 /nfs/dbraw/zinc/34/24/70/1030342470.db2.gz GXLKSCBKLIZTRT-BARLLCKDSA-N 2 0 304.478 3.615 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000866536392 1030355946 /nfs/dbraw/zinc/35/59/46/1030355946.db2.gz OZFSZFKEQAWBMU-CQJMVSDSSA-N 2 0 316.411 3.594 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCCC2 ZINC000151984012 1030371924 /nfs/dbraw/zinc/37/19/24/1030371924.db2.gz RAPLSSQJHILHLA-MOPGFXCFSA-N 2 0 320.521 3.721 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000925492427 1030374067 /nfs/dbraw/zinc/37/40/67/1030374067.db2.gz IPAAGLKWDFBYBS-IEBWSBKVSA-N 2 0 310.526 3.538 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000925498973 1030379176 /nfs/dbraw/zinc/37/91/76/1030379176.db2.gz UOMLEWCSQHLOJL-TZIWHRDSSA-N 2 0 323.484 3.725 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(-c2cccnc2)cc1 ZINC000925529374 1030386008 /nfs/dbraw/zinc/38/60/08/1030386008.db2.gz IZUNJWKLZJVYSC-GDIGMMSISA-N 2 0 307.441 3.669 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1 ZINC000925530795 1030387504 /nfs/dbraw/zinc/38/75/04/1030387504.db2.gz URUCQLQUEPTBEK-GOSISDBHSA-N 2 0 304.384 3.577 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1cccc2cccnc21)c1ccccc1 ZINC000925531972 1030390700 /nfs/dbraw/zinc/39/07/00/1030390700.db2.gz SYKSEWOCZRAAOW-FQEVSTJZSA-N 2 0 319.452 3.847 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925536709 1030393324 /nfs/dbraw/zinc/39/33/24/1030393324.db2.gz QPIYARMKYNPYTN-FXUDXRNXSA-N 2 0 318.427 3.865 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000925539163 1030394077 /nfs/dbraw/zinc/39/40/77/1030394077.db2.gz ZKGGQWPMDYLMDF-WIYYLYMNSA-N 2 0 323.484 3.583 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171032594 1030396756 /nfs/dbraw/zinc/39/67/56/1030396756.db2.gz GXTIDLAIXMDRJH-PREGVCBESA-N 2 0 320.908 3.907 20 0 DHADRP C(CCC[NH2+][C@@H]1CCOC2(CCC2)C1)CCC[NH+]1CCCC1 ZINC000823812514 1030397235 /nfs/dbraw/zinc/39/72/35/1030397235.db2.gz KUGQQZHGHSYDFJ-GOSISDBHSA-N 2 0 308.510 3.724 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000866608984 1030398601 /nfs/dbraw/zinc/39/86/01/1030398601.db2.gz PANPEVPOQCHBON-HXUWFJFHSA-N 2 0 315.505 3.647 20 0 DHADRP C[C@]1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1(Cl)Cl ZINC000925682262 1030453198 /nfs/dbraw/zinc/45/31/98/1030453198.db2.gz VQUZKXTTZJTJLT-UONOGXRCSA-N 2 0 301.261 3.640 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)[C@@H]1CCC[NH3+] ZINC000866669269 1030421477 /nfs/dbraw/zinc/42/14/77/1030421477.db2.gz WCGCDPBUAPFOJE-IAQYHMDHSA-N 2 0 316.276 3.728 20 0 DHADRP [NH3+][C@@H]1C[C@H](N[C@H](CC(F)(F)F)c2ccc(F)cc2)C12CCC2 ZINC000925628968 1030427571 /nfs/dbraw/zinc/42/75/71/1030427571.db2.gz IFJUJHAVROIDMH-MCIONIFRSA-N 2 0 316.342 3.679 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](CCCCCC[NH3+])CC1 ZINC000866717349 1030431428 /nfs/dbraw/zinc/43/14/28/1030431428.db2.gz CGNOQNFMGMMBRK-QGZVFWFLSA-N 2 0 304.478 3.784 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000925645871 1030431953 /nfs/dbraw/zinc/43/19/53/1030431953.db2.gz UHOHLHBTTRFSEL-ROUUACIJSA-N 2 0 314.404 3.719 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC(F)(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925652001 1030440028 /nfs/dbraw/zinc/44/00/28/1030440028.db2.gz ABRSWIYFHGHWPI-NBRJZWSHSA-N 2 0 322.855 3.786 20 0 DHADRP C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925653959 1030440170 /nfs/dbraw/zinc/44/01/70/1030440170.db2.gz CWTBWHQDKICSMF-SNRMKQJTSA-N 2 0 318.505 3.993 20 0 DHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925678408 1030451592 /nfs/dbraw/zinc/45/15/92/1030451592.db2.gz DSTIHOKVVGZWJY-JQHSSLGASA-N 2 0 316.514 3.634 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925686063 1030453896 /nfs/dbraw/zinc/45/38/96/1030453896.db2.gz QDELQCRDOTYYSS-HKUYNNGSSA-N 2 0 315.505 3.637 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC(F)(F)F ZINC000925700180 1030457311 /nfs/dbraw/zinc/45/73/11/1030457311.db2.gz ZYARTAHEKQRGCO-AEGPPILISA-N 2 0 306.416 3.723 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2cccnc2c1)c1ccccc1 ZINC000925726607 1030465426 /nfs/dbraw/zinc/46/54/26/1030465426.db2.gz UQISJDYHXUDCKU-IBGZPJMESA-N 2 0 305.425 3.805 20 0 DHADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925735593 1030469270 /nfs/dbraw/zinc/46/92/70/1030469270.db2.gz GWHAFZTVQSFREU-IPMKNSEASA-N 2 0 314.473 3.583 20 0 DHADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925738202 1030471268 /nfs/dbraw/zinc/47/12/68/1030471268.db2.gz WTJNCFWIDDAPGN-QKPAOTATSA-N 2 0 300.437 3.712 20 0 DHADRP CC(C)C[C@@H](c1cccs1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925749231 1030476725 /nfs/dbraw/zinc/47/67/25/1030476725.db2.gz VXNSGNWMQLMFLX-ZDUSSCGKSA-N 2 0 321.515 3.809 20 0 DHADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777768 1030492410 /nfs/dbraw/zinc/49/24/10/1030492410.db2.gz QHADNSVGZYFETD-HOCLYGCPSA-N 2 0 308.416 3.515 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1(c2ccccc2)CCCC1 ZINC000925777490 1030493089 /nfs/dbraw/zinc/49/30/89/1030493089.db2.gz PETLATKXZXXWOU-NVXWUHKLSA-N 2 0 322.443 3.721 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(SC(F)(F)F)c1 ZINC000925776924 1030493405 /nfs/dbraw/zinc/49/34/05/1030493405.db2.gz AZOIKOYISOSCET-NXEZZACHSA-N 2 0 304.381 3.557 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000558255162 1030501453 /nfs/dbraw/zinc/50/14/53/1030501453.db2.gz NAZLGCUAVJOGCS-HLIPFELVSA-N 2 0 318.505 3.897 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000824231234 1030501931 /nfs/dbraw/zinc/50/19/31/1030501931.db2.gz LSAAJGFEOZPXLA-KRWDZBQOSA-N 2 0 308.510 3.948 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)c(C)c2c1 ZINC000925802248 1030503546 /nfs/dbraw/zinc/50/35/46/1030503546.db2.gz ZLYBWXYXODBHEW-BPLDGKMQSA-N 2 0 316.445 3.646 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1 ZINC000925805994 1030503829 /nfs/dbraw/zinc/50/38/29/1030503829.db2.gz NMZODTVLFDCTDT-IBGZPJMESA-N 2 0 309.457 3.530 20 0 DHADRP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000925802884 1030503945 /nfs/dbraw/zinc/50/39/45/1030503945.db2.gz SMCQFSMLXAHUHA-MZUHEJBXSA-N 2 0 308.535 3.561 20 0 DHADRP c1ccc2ncc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000925830731 1030512612 /nfs/dbraw/zinc/51/26/12/1030512612.db2.gz GXILJWKLXMHNFP-HMXCVIKNSA-N 2 0 323.484 3.678 20 0 DHADRP Cc1nc2c(cccc2CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000925837782 1030514144 /nfs/dbraw/zinc/51/41/44/1030514144.db2.gz ISTMHBOVWROTQJ-SFHVURJKSA-N 2 0 323.440 3.749 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838548 1030514184 /nfs/dbraw/zinc/51/41/84/1030514184.db2.gz NETLXQVPLWGINA-VDHUWJSZSA-N 2 0 322.443 3.936 20 0 DHADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(-c2ccncc2)c1 ZINC000925841173 1030516473 /nfs/dbraw/zinc/51/64/73/1030516473.db2.gz HCTAAOPQZRBADM-MAODMQOUSA-N 2 0 321.468 3.931 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc3cccnc3o2)cc1 ZINC000824383748 1030544067 /nfs/dbraw/zinc/54/40/67/1030544067.db2.gz UPJBITCXQUTHCV-UHFFFAOYSA-N 2 0 309.413 3.521 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)CC[NH2+]C ZINC001246326547 1030555796 /nfs/dbraw/zinc/55/57/96/1030555796.db2.gz QBGWCAQKISHQHS-RISCZKNCSA-N 2 0 303.277 3.902 20 0 DHADRP CCC[N@H+](CCC[NH3+])[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063661 1030624228 /nfs/dbraw/zinc/62/42/28/1030624228.db2.gz OAQLKLIDBKCNHL-AWEZNQCLSA-N 2 0 315.288 3.912 20 0 DHADRP Cc1csc([C@H](C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926151210 1030634109 /nfs/dbraw/zinc/63/41/09/1030634109.db2.gz TUIMCJQCTDKAKD-UKRRQHHQSA-N 2 0 317.502 3.967 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000246886201 1030659462 /nfs/dbraw/zinc/65/94/62/1030659462.db2.gz FDZITZVDIXKDNE-AEFFLSMTSA-N 2 0 302.462 3.530 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000824914666 1030665482 /nfs/dbraw/zinc/66/54/82/1030665482.db2.gz WUYKUEQXDYXRIT-UHFFFAOYSA-N 2 0 304.265 3.598 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000926292349 1030689832 /nfs/dbraw/zinc/68/98/32/1030689832.db2.gz IZQAQEGHXXCCLN-INIZCTEOSA-N 2 0 323.484 3.873 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000247939838 1030709122 /nfs/dbraw/zinc/70/91/22/1030709122.db2.gz CXPBCTNTDICTJR-ROUUACIJSA-N 2 0 324.896 3.618 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000926371088 1030715789 /nfs/dbraw/zinc/71/57/89/1030715789.db2.gz IOBHXYCPJCYEQC-BCDXTJNWSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000248031204 1030716061 /nfs/dbraw/zinc/71/60/61/1030716061.db2.gz QLDFKHKIHTXEDE-GHTZIAJQSA-N 2 0 323.484 3.514 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CCC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000926371090 1030716853 /nfs/dbraw/zinc/71/68/53/1030716853.db2.gz IOBHXYCPJCYEQC-IAGOWNOFSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cccc(C(C)C)c1 ZINC000358994337 1030717871 /nfs/dbraw/zinc/71/78/71/1030717871.db2.gz QFLJHUIFSWVZQE-UHFFFAOYSA-N 2 0 320.440 3.989 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000359004113 1030721876 /nfs/dbraw/zinc/72/18/76/1030721876.db2.gz SSKBNFYBQDVGAM-GOEBONIOSA-N 2 0 308.416 3.532 20 0 DHADRP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000248399834 1030739458 /nfs/dbraw/zinc/73/94/58/1030739458.db2.gz KJFHYIJFKVSMJQ-SLFFLAALSA-N 2 0 310.441 3.670 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926436081 1030740256 /nfs/dbraw/zinc/74/02/56/1030740256.db2.gz CQWCIOBDJQVFJB-FTRWYGJKSA-N 2 0 312.457 3.521 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2coc3ccccc32)CC[NH+](C)CC1 ZINC000926449546 1030746270 /nfs/dbraw/zinc/74/62/70/1030746270.db2.gz VADQXRZZHUYKEA-CQSZACIVSA-N 2 0 318.486 3.911 20 0 DHADRP FCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926462256 1030750410 /nfs/dbraw/zinc/75/04/10/1030750410.db2.gz QKLOPTUDZLHSNJ-YQQQUEKLSA-N 2 0 304.453 3.911 20 0 DHADRP CC[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000926461131 1030750644 /nfs/dbraw/zinc/75/06/44/1030750644.db2.gz KVSHCXSMWDMOLA-RAFMOHDBSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248887253 1030774357 /nfs/dbraw/zinc/77/43/57/1030774357.db2.gz MNJUDTGFVOSZBU-APWZRJJASA-N 2 0 301.478 3.643 20 0 DHADRP Cc1cncc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962171 1030781058 /nfs/dbraw/zinc/78/10/58/1030781058.db2.gz RFVHYPLXRCNBQD-RXVVDRJESA-N 2 0 323.484 3.875 20 0 DHADRP Cc1ccc([C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2cccnc2)cc1 ZINC000926560601 1030799094 /nfs/dbraw/zinc/79/90/94/1030799094.db2.gz SQTGKHIYUKTVKV-NRFANRHFSA-N 2 0 323.484 3.943 20 0 DHADRP C[C@H]([NH2+]CCC1SCCS1)c1cccc(C[NH+](C)C)c1 ZINC000926723949 1030886042 /nfs/dbraw/zinc/88/60/42/1030886042.db2.gz GTRSEKCGJCZAQX-ZDUSSCGKSA-N 2 0 310.532 3.595 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171100181 1030935754 /nfs/dbraw/zinc/93/57/54/1030935754.db2.gz OVPGASUECQNMPC-SFHVURJKSA-N 2 0 306.881 3.519 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171100180 1030937109 /nfs/dbraw/zinc/93/71/09/1030937109.db2.gz OVPGASUECQNMPC-GOSISDBHSA-N 2 0 306.881 3.519 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171105141 1030964854 /nfs/dbraw/zinc/96/48/54/1030964854.db2.gz OUAPYQDENOOASS-IBGZPJMESA-N 2 0 320.908 3.907 20 0 DHADRP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000926883127 1030967557 /nfs/dbraw/zinc/96/75/57/1030967557.db2.gz KCMNRXIXALWNHW-MRXNPFEDSA-N 2 0 323.484 3.873 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000926889371 1030970835 /nfs/dbraw/zinc/97/08/35/1030970835.db2.gz PDOPCPFHAVDUMA-DDEIOVDASA-N 2 0 308.535 3.800 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107983 1030976033 /nfs/dbraw/zinc/97/60/33/1030976033.db2.gz FLVWSPYXDJBWKA-LJQANCHMSA-N 2 0 320.908 3.909 20 0 DHADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000844222167 1030997141 /nfs/dbraw/zinc/99/71/41/1030997141.db2.gz YILXRMVLDXNSDC-MRXNPFEDSA-N 2 0 315.461 3.916 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261538190 1031031523 /nfs/dbraw/zinc/03/15/23/1031031523.db2.gz PYDFCCBGTHGKAS-YLJYHZDGSA-N 2 0 324.468 3.825 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171115758 1031046201 /nfs/dbraw/zinc/04/62/01/1031046201.db2.gz FWEODNGNIXRDPQ-FPCQFERPSA-N 2 0 320.908 3.907 20 0 DHADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261758266 1031061686 /nfs/dbraw/zinc/06/16/86/1031061686.db2.gz LCGZJGHLHDZYSC-NHYWBVRUSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000261805617 1031067547 /nfs/dbraw/zinc/06/75/47/1031067547.db2.gz OKQJAFIZQSPUKO-KRWDZBQOSA-N 2 0 304.434 3.725 20 0 DHADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000162223014 1031067866 /nfs/dbraw/zinc/06/78/66/1031067866.db2.gz VFYHOMAGANLYAR-AUUYWEPGSA-N 2 0 315.461 3.628 20 0 DHADRP [NH3+]CC1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000262051703 1031092168 /nfs/dbraw/zinc/09/21/68/1031092168.db2.gz ZRSVTEGVLYLMIB-UHFFFAOYSA-N 2 0 306.759 3.530 20 0 DHADRP Cc1cc(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c(C)o1 ZINC000123333954 1031097968 /nfs/dbraw/zinc/09/79/68/1031097968.db2.gz SWIJZSDSJYBTLN-HNNXBMFYSA-N 2 0 313.445 3.607 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000359911565 1031191415 /nfs/dbraw/zinc/19/14/15/1031191415.db2.gz NXLONKABOUBSIF-BRWVUGGUSA-N 2 0 304.478 3.574 20 0 DHADRP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171132343 1031203064 /nfs/dbraw/zinc/20/30/64/1031203064.db2.gz BUUIMZHJCGTUPF-IBGZPJMESA-N 2 0 318.892 3.756 20 0 DHADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139688 1031253520 /nfs/dbraw/zinc/25/35/20/1031253520.db2.gz POFURIBDASQFEO-CQSZACIVSA-N 2 0 315.288 3.912 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1C ZINC000536682279 1031381760 /nfs/dbraw/zinc/38/17/60/1031381760.db2.gz BZPHDBFTMYTRLY-YJBOKZPZSA-N 2 0 316.489 3.705 20 0 DHADRP CC(C)CCn1cccc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000536696289 1031398192 /nfs/dbraw/zinc/39/81/92/1031398192.db2.gz SQPBJNQVFIRAHC-IBGZPJMESA-N 2 0 317.521 3.698 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844924358 1031404541 /nfs/dbraw/zinc/40/45/41/1031404541.db2.gz KMQCTEUXVHJOEK-QEJZJMRPSA-N 2 0 315.288 3.509 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872022786 1031406520 /nfs/dbraw/zinc/40/65/20/1031406520.db2.gz KYDAVUZAADMBDU-SQNIBIBYSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872024248 1031408198 /nfs/dbraw/zinc/40/81/98/1031408198.db2.gz ZQGHCRKWUZSSEQ-QZTJIDSGSA-N 2 0 308.510 3.580 20 0 DHADRP FC(F)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855389 1031420678 /nfs/dbraw/zinc/42/06/78/1031420678.db2.gz PLCURULUOFXEMM-AWEZNQCLSA-N 2 0 320.383 3.673 20 0 DHADRP CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000872037784 1031422375 /nfs/dbraw/zinc/42/23/75/1031422375.db2.gz IABXOIYAJCXHQK-RBUKOAKNSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000379648857 1031424882 /nfs/dbraw/zinc/42/48/82/1031424882.db2.gz NGJJTZSVSZNYPS-MAODMQOUSA-N 2 0 323.484 3.631 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872059427 1031452058 /nfs/dbraw/zinc/45/20/58/1031452058.db2.gz DPZBYPRXNIKMTC-RCCFBDPRSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536849152 1031456682 /nfs/dbraw/zinc/45/66/82/1031456682.db2.gz APTQHUDDCUQGRE-IIDMSEBBSA-N 2 0 324.896 3.817 20 0 DHADRP Cc1cc(C)cc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000536855404 1031456942 /nfs/dbraw/zinc/45/69/42/1031456942.db2.gz AFNUXUHUQKTUQT-CEXWTWQISA-N 2 0 318.505 3.843 20 0 DHADRP CCc1cccc(C[N@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)c1 ZINC001144322947 1031465232 /nfs/dbraw/zinc/46/52/32/1031465232.db2.gz JRHBMZKXARLSJA-BGYRXZFFSA-N 2 0 324.468 3.796 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C(C)C)cc1 ZINC000536949079 1031480449 /nfs/dbraw/zinc/48/04/49/1031480449.db2.gz LNEADWRKLZFDSU-VQIMIIECSA-N 2 0 304.478 3.714 20 0 DHADRP C[N@@H+]1CCCC12CC[NH+](CCCc1ccc(Cl)cc1)CC2 ZINC000536996549 1031483474 /nfs/dbraw/zinc/48/34/74/1031483474.db2.gz MXJNBEDPRKCKML-UHFFFAOYSA-N 2 0 306.881 3.833 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)(C)CC ZINC000872086930 1031483612 /nfs/dbraw/zinc/48/36/12/1031483612.db2.gz ZNRBKWCUAGYLNN-SFHVURJKSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C1CC[NH+](C)CC1 ZINC000872106403 1031496635 /nfs/dbraw/zinc/49/66/35/1031496635.db2.gz GCIXJUQKMINNNO-SNVBAGLBSA-N 2 0 306.397 3.587 20 0 DHADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156044 1031537586 /nfs/dbraw/zinc/53/75/86/1031537586.db2.gz DCDPFXQITHSGKS-GPMSIDNRSA-N 2 0 301.478 3.762 20 0 DHADRP CCC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000537203210 1031538027 /nfs/dbraw/zinc/53/80/27/1031538027.db2.gz QXYHZVGJQHVYLH-VAMGGRTRSA-N 2 0 300.490 3.986 20 0 DHADRP Cc1ccccc1-c1noc([C@H](C)[N@H+](C)CCCCCC[NH3+])n1 ZINC000872155674 1031538402 /nfs/dbraw/zinc/53/84/02/1031538402.db2.gz YHUOOPLGQJJWSF-HNNXBMFYSA-N 2 0 316.449 3.557 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CC3=CC[N@H+](C)CC3)c(C)c2c1 ZINC000537309256 1031565034 /nfs/dbraw/zinc/56/50/34/1031565034.db2.gz ZZLGRWOOWFMCPB-CQSZACIVSA-N 2 0 314.429 3.662 20 0 DHADRP Cc1cc(C)nc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000929753744 1031596811 /nfs/dbraw/zinc/59/68/11/1031596811.db2.gz FFSCRHOUQREYGO-HXUWFJFHSA-N 2 0 323.484 3.652 20 0 DHADRP Clc1nccc(C[NH2+]CCCCC[NH+]2CCCC2)c1Cl ZINC000293768310 1031612485 /nfs/dbraw/zinc/61/24/85/1031612485.db2.gz YHYACWUECQFYEK-UHFFFAOYSA-N 2 0 316.276 3.744 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000777843493 1031636858 /nfs/dbraw/zinc/63/68/58/1031636858.db2.gz TZMJTMCWYPIZFT-BBRMVZONSA-N 2 0 301.821 3.930 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cc(OC)ccc1F ZINC000293859714 1031660281 /nfs/dbraw/zinc/66/02/81/1031660281.db2.gz IGNLIWWNOJJMOL-UHFFFAOYSA-N 2 0 319.424 3.505 20 0 DHADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000360987731 1031661002 /nfs/dbraw/zinc/66/10/02/1031661002.db2.gz TVPKHEKIMFAERO-MRXNPFEDSA-N 2 0 306.498 3.517 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc2ncccc12 ZINC000873014795 1031693421 /nfs/dbraw/zinc/69/34/21/1031693421.db2.gz VULMJWNZLOYGLU-QGZVFWFLSA-N 2 0 311.473 3.979 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000361061656 1031702799 /nfs/dbraw/zinc/70/27/99/1031702799.db2.gz UJXRENRPKLOBDL-UZLBHIALSA-N 2 0 316.489 3.783 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000930145973 1031715642 /nfs/dbraw/zinc/71/56/42/1031715642.db2.gz OOOGGAOSASVVML-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000361153324 1031758222 /nfs/dbraw/zinc/75/82/22/1031758222.db2.gz JMHJMIRKUPGUHR-FQEVSTJZSA-N 2 0 316.489 3.784 20 0 DHADRP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)s1 ZINC000873205977 1031758560 /nfs/dbraw/zinc/75/85/60/1031758560.db2.gz YAQFQDMCGOPGTA-NSHDSACASA-N 2 0 321.515 3.660 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)C1CC[NH2+]CC1 ZINC000873223885 1031763029 /nfs/dbraw/zinc/76/30/29/1031763029.db2.gz UBVIJBLROKDGRK-ZDUSSCGKSA-N 2 0 302.393 3.563 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000873222232 1031764954 /nfs/dbraw/zinc/76/49/54/1031764954.db2.gz HTXQGARXWVVWAC-JTQLQIEISA-N 2 0 320.786 3.837 20 0 DHADRP C[C@@H](C[NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000873219630 1031765283 /nfs/dbraw/zinc/76/52/83/1031765283.db2.gz AXNXXIHNWBBQSV-QWHCGFSZSA-N 2 0 314.395 3.787 20 0 DHADRP c1cnc2ccc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)cc2c1 ZINC000873232914 1031767904 /nfs/dbraw/zinc/76/79/04/1031767904.db2.gz RDHBNIHALBBUKF-LJQANCHMSA-N 2 0 309.457 3.637 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cc2cccnc12 ZINC000873232557 1031768093 /nfs/dbraw/zinc/76/80/93/1031768093.db2.gz GTKQPEWPHZDBBU-IBGZPJMESA-N 2 0 323.484 3.945 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000873249685 1031771492 /nfs/dbraw/zinc/77/14/92/1031771492.db2.gz MPYQUDKPDRSHCT-MWNCTCPHSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000873249682 1031771699 /nfs/dbraw/zinc/77/16/99/1031771699.db2.gz MPYQUDKPDRSHCT-BJKJVOPESA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000873249667 1031772589 /nfs/dbraw/zinc/77/25/89/1031772589.db2.gz MMBPXYNLAJZRAK-DDUYRFODSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000873254575 1031773886 /nfs/dbraw/zinc/77/38/86/1031773886.db2.gz XEJUQNSCEONXCR-CFVMTHIKSA-N 2 0 313.470 3.514 20 0 DHADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253880 1031774049 /nfs/dbraw/zinc/77/40/49/1031774049.db2.gz GMPBVFPOIFCELK-ABSDTBQOSA-N 2 0 324.468 3.962 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCCc3ccc(Br)cc32)C1 ZINC000873255581 1031774474 /nfs/dbraw/zinc/77/44/74/1031774474.db2.gz HOTUHXIWXYUHAE-PJODQICGSA-N 2 0 323.278 3.544 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000873257270 1031776451 /nfs/dbraw/zinc/77/64/51/1031776451.db2.gz RSQHKDNVBRYYFP-WBIUFABUSA-N 2 0 312.429 3.706 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2ccccc2c1OC(F)F ZINC000873258800 1031777513 /nfs/dbraw/zinc/77/75/13/1031777513.db2.gz VGKPVTDNGDPBJC-OBJOEFQTSA-N 2 0 320.383 3.829 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H]3C[C@H]([NH3+])C3)cs2)cs1 ZINC000873257988 1031777897 /nfs/dbraw/zinc/77/78/97/1031777897.db2.gz WMDUHROXBJPNQT-IRUJWGPZSA-N 2 0 307.488 3.568 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2ccccc2c1OC(F)F ZINC000873257552 1031778028 /nfs/dbraw/zinc/77/80/28/1031778028.db2.gz VGKPVTDNGDPBJC-BZPMIXESSA-N 2 0 320.383 3.829 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259596 1031778063 /nfs/dbraw/zinc/77/80/63/1031778063.db2.gz HSYIJYUGHKNLGR-XYVMCAHJSA-N 2 0 302.462 3.657 20 0 DHADRP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873262884 1031780467 /nfs/dbraw/zinc/78/04/67/1031780467.db2.gz CVBZIXIYCNOCHD-TXCZRRACSA-N 2 0 304.503 3.980 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000873270279 1031782600 /nfs/dbraw/zinc/78/26/00/1031782600.db2.gz QWTHAAQGDYTESA-ZIAGYGMSSA-N 2 0 315.486 3.849 20 0 DHADRP COc1ccc(CN(CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000361268236 1031824047 /nfs/dbraw/zinc/82/40/47/1031824047.db2.gz UTJGGXLRRSSRMM-UHFFFAOYSA-N 2 0 302.462 3.536 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897967564 1031899107 /nfs/dbraw/zinc/89/91/07/1031899107.db2.gz STYQZKOKRBQZSY-LVCYWYKZSA-N 2 0 323.484 3.513 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897967563 1031899521 /nfs/dbraw/zinc/89/95/21/1031899521.db2.gz STYQZKOKRBQZSY-LQWHRVPQSA-N 2 0 323.484 3.513 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc3scnc3c2)CC1 ZINC001144737074 1031925055 /nfs/dbraw/zinc/92/50/55/1031925055.db2.gz MCSUHVUVFJDDKJ-UHFFFAOYSA-N 2 0 317.502 3.849 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000036907779 1031929446 /nfs/dbraw/zinc/92/94/46/1031929446.db2.gz MQVLRQWHJWHBNA-XHBSWPGZSA-N 2 0 315.288 3.854 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000846219859 1031932841 /nfs/dbraw/zinc/93/28/41/1031932841.db2.gz ZTCSDUXUQLUMEX-WOJBJXKFSA-N 2 0 318.505 3.874 20 0 DHADRP [NH3+]CCCCCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000846221836 1031934417 /nfs/dbraw/zinc/93/44/17/1031934417.db2.gz QVSJBHZHNNKVKW-UHFFFAOYSA-N 2 0 317.502 3.995 20 0 DHADRP CC[N@H+](CCCCCC[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000846221213 1031934617 /nfs/dbraw/zinc/93/46/17/1031934617.db2.gz INHBMCKESKFTSX-QUCCMNQESA-N 2 0 317.521 3.663 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Br)c1 ZINC000036919865 1031946736 /nfs/dbraw/zinc/94/67/36/1031946736.db2.gz PIKWJNQTLJFXEX-RJPYNODJSA-N 2 0 323.278 3.725 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898111192 1031950378 /nfs/dbraw/zinc/95/03/78/1031950378.db2.gz INFOHKNLCNIYRK-NEWSRXKRSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1ncccc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000898255490 1032003197 /nfs/dbraw/zinc/00/31/97/1032003197.db2.gz KEEGNFPFBDRFDR-JXFKEZNVSA-N 2 0 315.505 3.565 20 0 DHADRP CC[C@H]1CC[C@H](C2CCC(NC(=[NH2+])NCCCC[NH3+])CC2)CC1 ZINC001172588337 1033296221 /nfs/dbraw/zinc/29/62/21/1033296221.db2.gz PHWBHQWCUUMTSQ-MJYONLJCSA-N 2 0 322.541 3.614 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000877496818 1033324619 /nfs/dbraw/zinc/32/46/19/1033324619.db2.gz ZHDDWIUCXKFVDT-USXIJHARSA-N 2 0 308.416 3.532 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C[C@](C)(C[NH3+])C1 ZINC001172709755 1033343267 /nfs/dbraw/zinc/34/32/67/1033343267.db2.gz FFVBJRSKKNKEIB-AOIWGVFYSA-N 2 0 320.908 3.941 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709171 1033344284 /nfs/dbraw/zinc/34/42/84/1033344284.db2.gz UCJPBCLQTHBCIM-KHYOSLBOSA-N 2 0 320.908 3.765 20 0 DHADRP CC(C)(C[NH2+]C1CC(c2ccccc2F)C1)C[NH+]1CCCC1 ZINC000477938079 1033373504 /nfs/dbraw/zinc/37/35/04/1033373504.db2.gz BWQYQRFZZLSNTO-UHFFFAOYSA-N 2 0 304.453 3.783 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172827175 1033390949 /nfs/dbraw/zinc/39/09/49/1033390949.db2.gz AZIMSWNTMGIXME-VAMGGRTRSA-N 2 0 300.490 3.833 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH+]1C(C)(C)CC([NH3+])CC1(C)C)CC2 ZINC001172835963 1033398694 /nfs/dbraw/zinc/39/86/94/1033398694.db2.gz RCQWDIPQANFSBJ-GOSISDBHSA-N 2 0 300.490 3.833 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)CC2 ZINC001172838379 1033406780 /nfs/dbraw/zinc/40/67/80/1033406780.db2.gz OQZKMQDPQRMLDU-PXNSSMCTSA-N 2 0 300.490 3.693 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc(C(C)(C)C)s1)CC2 ZINC000877684087 1033410744 /nfs/dbraw/zinc/41/07/44/1033410744.db2.gz FXUXQZQXZSWYQJ-UHFFFAOYSA-N 2 0 321.534 3.748 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1C[NH3+] ZINC001172851511 1033421018 /nfs/dbraw/zinc/42/10/18/1033421018.db2.gz KAVHRSQVTKOMPG-GFCCVEGCSA-N 2 0 306.812 3.659 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCC[NH+](C)C ZINC001172863026 1033433470 /nfs/dbraw/zinc/43/34/70/1033433470.db2.gz LMAKEDHYSSXRKX-ZDUSSCGKSA-N 2 0 300.849 3.732 20 0 DHADRP Cc1cccc2c1[nH+]c(N)n2-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212687906 1033439615 /nfs/dbraw/zinc/43/96/15/1033439615.db2.gz TVYQAQJLJGTNRV-UHFFFAOYSA-N 2 0 320.440 3.725 20 0 DHADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2csc(C(F)(F)F)c2)C1 ZINC000924707018 1033490413 /nfs/dbraw/zinc/49/04/13/1033490413.db2.gz SPMVJWLZXBAKNW-QWRGUYRKSA-N 2 0 306.397 3.759 20 0 DHADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2csc(C(F)(F)F)c2)C1 ZINC000924707019 1033491383 /nfs/dbraw/zinc/49/13/83/1033491383.db2.gz SPMVJWLZXBAKNW-WDEREUQCSA-N 2 0 306.397 3.759 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173045342 1033509772 /nfs/dbraw/zinc/50/97/72/1033509772.db2.gz ULAUWGSIXUTTBJ-UHFFFAOYSA-N 2 0 320.521 3.709 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173045993 1033510016 /nfs/dbraw/zinc/51/00/16/1033510016.db2.gz NHXAYJJRPSPPCI-KRWDZBQOSA-N 2 0 308.510 3.567 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173044324 1033511195 /nfs/dbraw/zinc/51/11/95/1033511195.db2.gz BIEADEXTOJOINW-IZAXUBKRSA-N 2 0 322.537 3.968 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)C2CCC3(CCOCC3)CC2)CC1 ZINC001173049802 1033513531 /nfs/dbraw/zinc/51/35/31/1033513531.db2.gz HLPYGEGKCVJCEK-UHFFFAOYSA-N 2 0 322.537 3.778 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC001173103945 1033540856 /nfs/dbraw/zinc/54/08/56/1033540856.db2.gz XJVJCVGDPLJXJJ-GPJFCIFZSA-N 2 0 300.490 3.787 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC001173104337 1033543304 /nfs/dbraw/zinc/54/33/04/1033543304.db2.gz IBXVUYUWJXIBIP-UHFFFAOYSA-N 2 0 314.395 3.847 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)c2cc(C)ccn2)CC1 ZINC001173106092 1033543352 /nfs/dbraw/zinc/54/33/52/1033543352.db2.gz HIFJXLMBVFGVTQ-UHFFFAOYSA-N 2 0 317.521 3.910 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001173104409 1033543412 /nfs/dbraw/zinc/54/34/12/1033543412.db2.gz NRFRVRZWNADZMO-NIAPBTPMSA-N 3 0 323.569 3.773 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+]C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173107125 1033545243 /nfs/dbraw/zinc/54/52/43/1033545243.db2.gz KIZNQYMHBXKMSL-UHFFFAOYSA-N 3 0 323.569 3.882 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)Cc2cccnc2)CC1 ZINC001173109337 1033545291 /nfs/dbraw/zinc/54/52/91/1033545291.db2.gz COPGZJZIEJATQK-UHFFFAOYSA-N 2 0 317.521 3.893 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001173110008 1033545813 /nfs/dbraw/zinc/54/58/13/1033545813.db2.gz MRJVTCARZCXFAN-XSCHDIRWSA-N 2 0 324.406 3.719 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001173109174 1033545974 /nfs/dbraw/zinc/54/59/74/1033545974.db2.gz YTXDCRFFFHJSJF-NRXISQOPSA-N 2 0 306.416 3.709 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC001173107018 1033546053 /nfs/dbraw/zinc/54/60/53/1033546053.db2.gz UQOAOTNLHOYUOF-VIQWUECVSA-N 2 0 300.490 3.959 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001173113899 1033547827 /nfs/dbraw/zinc/54/78/27/1033547827.db2.gz OEUWDLLPZULJHW-MHJFOBGBSA-N 2 0 322.537 3.921 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001173111971 1033549034 /nfs/dbraw/zinc/54/90/34/1033549034.db2.gz OKDMGFXVGGCCML-TVPLGVNVSA-N 2 0 301.478 3.872 20 0 DHADRP COCCC1([NH3+])CC[NH+](C2CCC3(CCCCC3)CC2)CC1 ZINC001173115801 1033551735 /nfs/dbraw/zinc/55/17/35/1033551735.db2.gz BPYBPEUJKKMNCT-UHFFFAOYSA-N 2 0 308.510 3.709 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878159430 1033602167 /nfs/dbraw/zinc/60/21/67/1033602167.db2.gz LRXQSUWBYDUNEW-IHPCNDPISA-N 2 0 316.489 3.570 20 0 DHADRP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(OC)c3)CC2)C1 ZINC001173269005 1033638472 /nfs/dbraw/zinc/63/84/72/1033638472.db2.gz FNYVPCWRWWIQBD-AEFFLSMTSA-N 2 0 316.489 3.610 20 0 DHADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](C)CC(C)(C)C)CC2)CC1 ZINC000878274068 1033644179 /nfs/dbraw/zinc/64/41/79/1033644179.db2.gz IAGZRJSLBSGJMC-GOSISDBHSA-N 2 0 323.569 3.549 20 0 DHADRP CC[C@@H]1CC[C@@H]([N@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C1 ZINC001173279833 1033671195 /nfs/dbraw/zinc/67/11/95/1033671195.db2.gz ROWAKVOQUBFDOD-BRWVUGGUSA-N 2 0 308.510 3.577 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173347760 1033701933 /nfs/dbraw/zinc/70/19/33/1033701933.db2.gz GUMICNWHBCTEAV-LJQANCHMSA-N 2 0 322.537 3.970 20 0 DHADRP CC[N@@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001173368324 1033718067 /nfs/dbraw/zinc/71/80/67/1033718067.db2.gz OJUOOEJBJNMLEV-INIZCTEOSA-N 2 0 315.436 3.514 20 0 DHADRP Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667494642 1033763504 /nfs/dbraw/zinc/76/35/04/1033763504.db2.gz FZQPOERLVHXCOM-HXUWFJFHSA-N 2 0 318.424 3.913 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3ccncc3s2)CC1 ZINC000667494372 1033765944 /nfs/dbraw/zinc/76/59/44/1033765944.db2.gz XJKFIVHIKNUBIQ-UHFFFAOYSA-N 2 0 303.475 3.601 20 0 DHADRP Cc1cc2[nH]c(C[NH2+]C3CCC(C[NH+](C)C)CC3)cc2c(C)c1 ZINC000479459899 1033767840 /nfs/dbraw/zinc/76/78/40/1033767840.db2.gz XZISEFZLFAFYPS-UHFFFAOYSA-N 2 0 313.489 3.995 20 0 DHADRP CCCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000667518264 1033813095 /nfs/dbraw/zinc/81/30/95/1033813095.db2.gz VKLVLONPYDBOIS-QGZVFWFLSA-N 2 0 304.478 3.557 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173687426 1033831358 /nfs/dbraw/zinc/83/13/58/1033831358.db2.gz MKZLLEDOTCNNAB-OCDPCBSRSA-N 2 0 312.501 3.745 20 0 DHADRP COc1ccc2cc(C[N@H+](C)CCC3CC[NH2+]CC3)ccc2c1 ZINC000479686194 1033857699 /nfs/dbraw/zinc/85/76/99/1033857699.db2.gz KWCMHUYXFPNXGF-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554046627 1033936216 /nfs/dbraw/zinc/93/62/16/1033936216.db2.gz CPXNFLWLBWBJCH-ILACCBGSSA-N 2 0 312.501 3.921 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000174629512 1033949978 /nfs/dbraw/zinc/94/99/78/1033949978.db2.gz LXCCQYDKTJXFBA-IUODEOHRSA-N 2 0 300.368 3.525 20 0 DHADRP CC1([NH+]2CCCC2)CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000879203809 1033950325 /nfs/dbraw/zinc/95/03/25/1033950325.db2.gz WPRDKJHXFUAPCI-ZDUSSCGKSA-N 2 0 305.293 3.521 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000554088277 1033960993 /nfs/dbraw/zinc/96/09/93/1033960993.db2.gz IPPBGSIKQMQCGF-FUHWJXTLSA-N 2 0 304.453 3.769 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)C1 ZINC000554140044 1033985723 /nfs/dbraw/zinc/98/57/23/1033985723.db2.gz QONXJQXXCLKLIR-ADNDVJRGSA-N 2 0 318.427 3.960 20 0 DHADRP Cc1c[nH+]ccc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000480082007 1034063342 /nfs/dbraw/zinc/06/33/42/1034063342.db2.gz MRPZPVADPMVPAS-QGZVFWFLSA-N 2 0 301.478 3.871 20 0 DHADRP C[C@H]([NH2+]CCC1(F)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554372880 1034122982 /nfs/dbraw/zinc/12/29/82/1034122982.db2.gz AYNKWKRWYZCHFE-WMZOPIPTSA-N 2 0 304.453 3.769 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000480242432 1034148197 /nfs/dbraw/zinc/14/81/97/1034148197.db2.gz PXXRYSCMDFTTOJ-YRNRMSPPSA-N 2 0 316.489 3.574 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000480258718 1034149781 /nfs/dbraw/zinc/14/97/81/1034149781.db2.gz GUMMCZPEESWIKW-NRFANRHFSA-N 2 0 308.469 3.859 20 0 DHADRP C[NH2+]C[C@@H](O)c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)c1 ZINC000863689449 1034175300 /nfs/dbraw/zinc/17/53/00/1034175300.db2.gz AINJXSZCXBZVRK-HRAATJIYSA-N 2 0 324.468 3.591 20 0 DHADRP C[NH2+]C[C@H](O)c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)c1 ZINC000863689450 1034175583 /nfs/dbraw/zinc/17/55/83/1034175583.db2.gz AINJXSZCXBZVRK-IERDGZPVSA-N 2 0 324.468 3.591 20 0 DHADRP CC[NH+](CC)CCOc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000863691802 1034178943 /nfs/dbraw/zinc/17/89/43/1034178943.db2.gz LECJAUNKKYPDAF-UHFFFAOYSA-N 2 0 310.441 3.677 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178256318 1034222149 /nfs/dbraw/zinc/22/21/49/1034222149.db2.gz IBHCYQFYAQASSX-HZPDHXFCSA-N 2 0 316.489 3.651 20 0 DHADRP CCOc1ccccc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924741753 1034253788 /nfs/dbraw/zinc/25/37/88/1034253788.db2.gz OQFDHXOJSUAJLL-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP CCC1([NH+]2CCCCC2)CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000880257394 1034266963 /nfs/dbraw/zinc/26/69/63/1034266963.db2.gz XLYLUMJZKGIONV-LJQANCHMSA-N 2 0 321.553 3.591 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000480608286 1034340609 /nfs/dbraw/zinc/34/06/09/1034340609.db2.gz HADRKBPRRDIIEJ-LPHOPBHVSA-N 2 0 316.489 3.784 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000480613564 1034343663 /nfs/dbraw/zinc/34/36/63/1034343663.db2.gz RMOYBKFXTUCMTQ-MRXNPFEDSA-N 2 0 322.468 3.997 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000480603503 1034346920 /nfs/dbraw/zinc/34/69/20/1034346920.db2.gz WDZSPNJZVWKSPL-HKUYNNGSSA-N 2 0 322.537 3.921 20 0 DHADRP COc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000480622528 1034359197 /nfs/dbraw/zinc/35/91/97/1034359197.db2.gz YWDSYRKYQCUDKY-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(F)c1F ZINC000183216535 1034363973 /nfs/dbraw/zinc/36/39/73/1034363973.db2.gz YPKSCKZSJFTIOJ-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOC(C)(C)C)C2)s1 ZINC000554851196 1034375049 /nfs/dbraw/zinc/37/50/49/1034375049.db2.gz AZMNPRHLLRBFQP-INIZCTEOSA-N 2 0 324.534 3.625 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000480692523 1034396637 /nfs/dbraw/zinc/39/66/37/1034396637.db2.gz AWHJVGXVKIDZMY-KDOFPFPSSA-N 2 0 310.432 3.607 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000480734046 1034421003 /nfs/dbraw/zinc/42/10/03/1034421003.db2.gz CAGQESLEKJTWAH-MAUKXSAKSA-N 2 0 304.453 3.567 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000184262532 1034457390 /nfs/dbraw/zinc/45/73/90/1034457390.db2.gz FOYRKPKMPRPDNI-QGZVFWFLSA-N 2 0 309.457 3.837 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000184341722 1034465709 /nfs/dbraw/zinc/46/57/09/1034465709.db2.gz QWSOOHTVLBKQGO-ICSRJNTNSA-N 2 0 323.484 3.605 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000184498594 1034482811 /nfs/dbraw/zinc/48/28/11/1034482811.db2.gz YDHKYAYPTUTJNY-JKSUJKDBSA-N 2 0 317.477 3.560 20 0 DHADRP COCCCCC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184741604 1034499590 /nfs/dbraw/zinc/49/95/90/1034499590.db2.gz HRSAPRXWSQWVDE-UFRUDQCGSA-N 2 0 318.505 3.549 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000481032217 1034556207 /nfs/dbraw/zinc/55/62/07/1034556207.db2.gz DLXWKUSJZXMUMO-SPYBWZPUSA-N 2 0 304.453 3.771 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000481024493 1034558885 /nfs/dbraw/zinc/55/88/85/1034558885.db2.gz OUEIZHRNTDOOGS-QUCCMNQESA-N 2 0 300.490 3.638 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000555204819 1034561059 /nfs/dbraw/zinc/56/10/59/1034561059.db2.gz DVZYZSIDABDMRN-HXUWFJFHSA-N 2 0 309.457 3.774 20 0 DHADRP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000186470029 1034633546 /nfs/dbraw/zinc/63/35/46/1034633546.db2.gz INYXWTFPKVKYNX-YESZJQIVSA-N 2 0 304.503 3.692 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000186566858 1034643629 /nfs/dbraw/zinc/64/36/29/1034643629.db2.gz SIZAMPUNZBOACM-ZIAGYGMSSA-N 2 0 324.871 3.973 20 0 DHADRP FC(F)(F)c1c[nH+]ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000865451670 1034653163 /nfs/dbraw/zinc/65/31/63/1034653163.db2.gz WHHTUKHZSOIEKL-UHFFFAOYSA-N 2 0 313.367 3.555 20 0 DHADRP CCCC[C@@H](CC)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000555686137 1034866349 /nfs/dbraw/zinc/86/63/49/1034866349.db2.gz ASILMICFACLGBT-KAKFPZCNSA-N 2 0 310.526 3.776 20 0 DHADRP Clc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157393164 1034878483 /nfs/dbraw/zinc/87/84/83/1034878483.db2.gz LXQBBCMQFDVRLK-GYTBAZASSA-N 2 0 304.865 3.802 20 0 DHADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000481907548 1035033434 /nfs/dbraw/zinc/03/34/34/1035033434.db2.gz IJNRRAVWFJYSKA-SFHVURJKSA-N 2 0 300.490 3.673 20 0 DHADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000481907547 1035034842 /nfs/dbraw/zinc/03/48/42/1035034842.db2.gz IJNRRAVWFJYSKA-GOSISDBHSA-N 2 0 300.490 3.673 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000481954358 1035036385 /nfs/dbraw/zinc/03/63/85/1035036385.db2.gz PMIYMGKHRNEYLS-CQSZACIVSA-N 2 0 301.261 3.912 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@H](C)C1 ZINC000482003810 1035042243 /nfs/dbraw/zinc/04/22/43/1035042243.db2.gz VSFSBMGZQPECAS-UZLBHIALSA-N 2 0 313.489 3.947 20 0 DHADRP CCC[NH+](CCC)CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000482271596 1035075371 /nfs/dbraw/zinc/07/53/71/1035075371.db2.gz UCZFRZCGTCWARO-UHFFFAOYSA-N 2 0 323.569 3.885 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000482314676 1035083624 /nfs/dbraw/zinc/08/36/24/1035083624.db2.gz FFWCMJGUBRCNQR-ZRGWGRIASA-N 2 0 304.453 3.769 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C(C)C)cc1 ZINC000482341252 1035086576 /nfs/dbraw/zinc/08/65/76/1035086576.db2.gz DHJCAMKLJQJKRQ-FQEVSTJZSA-N 2 0 302.506 3.884 20 0 DHADRP Cc1ccc(C[C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000482707414 1035166648 /nfs/dbraw/zinc/16/66/48/1035166648.db2.gz SXQTYFROIOORJM-HXUWFJFHSA-N 2 0 300.490 3.878 20 0 DHADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000482864815 1035188224 /nfs/dbraw/zinc/18/82/24/1035188224.db2.gz BOIRWAVTXPAXBJ-RBUKOAKNSA-N 2 0 310.526 3.562 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(C)C ZINC000482946858 1035204264 /nfs/dbraw/zinc/20/42/64/1035204264.db2.gz KTGRPQSLODUEHE-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP Cc1ccc2[nH+]c(N)n(-c3cccc(C[NH+]4CCCC4)c3)c2c1 ZINC001176195403 1035217839 /nfs/dbraw/zinc/21/78/39/1035217839.db2.gz YMAFNQRTIBFQSR-UHFFFAOYSA-N 2 0 306.413 3.512 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2cc(C)ccc2C)C1 ZINC000483054898 1035219762 /nfs/dbraw/zinc/21/97/62/1035219762.db2.gz AAUBJHDEPINKEV-IBGZPJMESA-N 2 0 318.505 3.736 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000483186440 1035239964 /nfs/dbraw/zinc/23/99/64/1035239964.db2.gz QGSUDRNXDUENLD-ROUUACIJSA-N 2 0 304.478 3.639 20 0 DHADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCC(c4ccccc4)CC3)C[C@]2(C)C1 ZINC001176629242 1035303907 /nfs/dbraw/zinc/30/39/07/1035303907.db2.gz JEOOFJPATZZFTL-HXJFWZBSSA-N 2 0 312.501 3.844 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000484300798 1035329107 /nfs/dbraw/zinc/32/91/07/1035329107.db2.gz SNCMJJKRIUBKQA-CRAIPNDOSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1cccc(C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)c1 ZINC000484476211 1035344489 /nfs/dbraw/zinc/34/44/89/1035344489.db2.gz VAQMQPZKZHIQLW-ZCNNSNEGSA-N 2 0 300.490 3.779 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000484510813 1035350683 /nfs/dbraw/zinc/35/06/83/1035350683.db2.gz JXROJWLDUZWFHP-OXJNMPFZSA-N 2 0 312.457 3.539 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC001206296430 1035356668 /nfs/dbraw/zinc/35/66/68/1035356668.db2.gz SVLIAPCFQQEOQE-INIZCTEOSA-N 2 0 315.288 3.987 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001206297356 1035358463 /nfs/dbraw/zinc/35/84/63/1035358463.db2.gz XWKNPZXYDXKHBD-MRXNPFEDSA-N 2 0 314.395 3.699 20 0 DHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC(C)(C)C)CC1 ZINC001177231147 1035358476 /nfs/dbraw/zinc/35/84/76/1035358476.db2.gz CNAQYAUDDYZTLF-UHFFFAOYSA-N 2 0 317.521 3.744 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001177290903 1035360439 /nfs/dbraw/zinc/36/04/39/1035360439.db2.gz YOZGNFUKLOIDPV-GJZGRUSLSA-N 2 0 310.432 3.813 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1 ZINC001177736909 1035389936 /nfs/dbraw/zinc/38/99/36/1035389936.db2.gz FUYBTMPCSUHQEA-INIZCTEOSA-N 2 0 324.468 3.752 20 0 DHADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC001177784186 1035392021 /nfs/dbraw/zinc/39/20/21/1035392021.db2.gz KPSLIJNVOUKOHD-QFBILLFUSA-N 2 0 318.505 3.584 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)s2)[C@@H](C)C1 ZINC001177844467 1035395303 /nfs/dbraw/zinc/39/53/03/1035395303.db2.gz QZPSBOCMEKAMDA-YJBOKZPZSA-N 2 0 324.534 3.537 20 0 DHADRP CCC[N@H+](Cc1ccc(C(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC000904299490 1035396738 /nfs/dbraw/zinc/39/67/38/1035396738.db2.gz FSDHTOHUYJCTGK-UHFFFAOYSA-N 2 0 300.368 3.727 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904384317 1035409508 /nfs/dbraw/zinc/40/95/08/1035409508.db2.gz INWGHZWNHUPVHJ-YLJYHZDGSA-N 2 0 316.489 3.654 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904404829 1035410158 /nfs/dbraw/zinc/41/01/58/1035410158.db2.gz GCAIXZPNGJQBCR-QGZVFWFLSA-N 2 0 310.441 3.533 20 0 DHADRP [NH3+]CC[C@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000904411950 1035411100 /nfs/dbraw/zinc/41/11/00/1035411100.db2.gz YFACHBFBSNZMIX-ZDUSSCGKSA-N 2 0 320.383 3.612 20 0 DHADRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195134331 1035414947 /nfs/dbraw/zinc/41/49/47/1035414947.db2.gz HELYVRDYDUPAJR-HKUYNNGSSA-N 2 0 324.468 3.868 20 0 DHADRP C[NH+](C)CC1(C[NH2+]Cc2ccc(F)c3cccnc23)CCCC1 ZINC001178449199 1035427166 /nfs/dbraw/zinc/42/71/66/1035427166.db2.gz LIJSQJXXIYVYMX-UHFFFAOYSA-N 2 0 315.436 3.586 20 0 DHADRP C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2ccc(C[NH+](C)C)s2)cc1 ZINC000904859228 1035461388 /nfs/dbraw/zinc/46/13/88/1035461388.db2.gz NSYYSFATYJCGQR-SCLBCKFNSA-N 2 0 316.470 3.526 20 0 DHADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001179285081 1035471930 /nfs/dbraw/zinc/47/19/30/1035471930.db2.gz FVCCQCZQZTXIAM-KRWDZBQOSA-N 2 0 316.489 3.830 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c(C)c1 ZINC001204249059 1035484343 /nfs/dbraw/zinc/48/43/43/1035484343.db2.gz LQKWYQIIPAANBI-PXNSSMCTSA-N 2 0 318.505 3.946 20 0 DHADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001179830332 1035510250 /nfs/dbraw/zinc/51/02/50/1035510250.db2.gz OWMCWPXKEWUCJU-FUHWJXTLSA-N 2 0 318.505 3.653 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205617742 1035534011 /nfs/dbraw/zinc/53/40/11/1035534011.db2.gz NBBDUCRTCUYHBH-AAEUAGOBSA-N 2 0 318.358 3.651 20 0 DHADRP CCCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1C ZINC001179997486 1035558130 /nfs/dbraw/zinc/55/81/30/1035558130.db2.gz NTKOZOQGXAZKIA-GOSISDBHSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001168465865 1035576693 /nfs/dbraw/zinc/57/66/93/1035576693.db2.gz ZGCWPNBDMCYCQB-DLBZAZTESA-N 2 0 314.448 3.854 20 0 DHADRP C[C@H]1CC[N@H+](Cc2c(Cl)cc(O)cc2Cl)CC[C@H]1C[NH3+] ZINC001205627715 1035599736 /nfs/dbraw/zinc/59/97/36/1035599736.db2.gz RWQCSRLFLSMLFQ-QWRGUYRKSA-N 2 0 317.260 3.506 20 0 DHADRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cnn1C(C)C ZINC000191178371 1035667366 /nfs/dbraw/zinc/66/73/66/1035667366.db2.gz MJDYERNNKLMZLF-IRXDYDNUSA-N 2 0 320.525 3.935 20 0 DHADRP C[C@@H]1CC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)C1 ZINC000668486872 1035667455 /nfs/dbraw/zinc/66/74/55/1035667455.db2.gz SEHYXSGMDCWYAR-HOTGVXAUSA-N 2 0 301.478 3.712 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191266693 1035673785 /nfs/dbraw/zinc/67/37/85/1035673785.db2.gz WNUWJYRNWPTHFW-HNNXBMFYSA-N 2 0 320.525 3.719 20 0 DHADRP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccccn3)CC2)c1C1CC1 ZINC000668511034 1035726717 /nfs/dbraw/zinc/72/67/17/1035726717.db2.gz CCOVCSHUSQYWSW-UHFFFAOYSA-N 2 0 322.456 3.739 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000539494041 1035744057 /nfs/dbraw/zinc/74/40/57/1035744057.db2.gz VYULHQQATHCGJL-HKUYNNGSSA-N 2 0 302.462 3.610 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C12CCCCC2 ZINC000539497467 1035754737 /nfs/dbraw/zinc/75/47/37/1035754737.db2.gz XLCYPFDXRHFICT-GBESFXJTSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000539498612 1035758649 /nfs/dbraw/zinc/75/86/49/1035758649.db2.gz UXRYYFVURBUYRB-CWQOZTLDSA-N 2 0 322.537 3.536 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)[NH+]1CCCCC1 ZINC001180812435 1035768078 /nfs/dbraw/zinc/76/80/78/1035768078.db2.gz ZTVSRQPRKNGLMU-BRWVUGGUSA-N 2 0 310.526 3.823 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192930018 1035824858 /nfs/dbraw/zinc/82/48/58/1035824858.db2.gz LFYLHAPKIAHGDL-WWPOYFSUSA-N 2 0 324.443 3.951 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001194133001 1035837699 /nfs/dbraw/zinc/83/76/99/1035837699.db2.gz OFFKAFROYSQKOH-AQNXPRMDSA-N 2 0 300.490 3.986 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000540363050 1036049777 /nfs/dbraw/zinc/04/97/77/1036049777.db2.gz MSSVHFVNQYSAFX-AEFFLSMTSA-N 2 0 304.478 3.999 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000194919497 1036060976 /nfs/dbraw/zinc/06/09/76/1036060976.db2.gz MAMTXQIFDUVWJT-SFHVURJKSA-N 2 0 302.462 3.535 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168472935 1036101437 /nfs/dbraw/zinc/10/14/37/1036101437.db2.gz AHHBEYYFVQQWQB-ZYSHUDEJSA-N 2 0 306.469 3.999 20 0 DHADRP C(=C\c1ccncc1)\CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000494944438 1036132976 /nfs/dbraw/zinc/13/29/76/1036132976.db2.gz BJIUNEPZEYRUGU-MWGFUINXSA-N 2 0 313.489 3.683 20 0 DHADRP Clc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250194070 1036251836 /nfs/dbraw/zinc/25/18/36/1036251836.db2.gz LXQBBCMQFDVRLK-KNIAUWFNSA-N 2 0 304.865 3.802 20 0 DHADRP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000541282654 1036284566 /nfs/dbraw/zinc/28/45/66/1036284566.db2.gz PIJOWYIVBWZEPB-FPOVZHCZSA-N 2 0 312.501 3.876 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000613256917 1036353801 /nfs/dbraw/zinc/35/38/01/1036353801.db2.gz PGNYURGUULYUBY-MDZRGWNJSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)C[NH+]1CCCCC1 ZINC000486728350 1036381243 /nfs/dbraw/zinc/38/12/43/1036381243.db2.gz HYVKAKIBTWPPMF-CQSZACIVSA-N 2 0 303.425 3.519 20 0 DHADRP C[C@@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000541589438 1036381368 /nfs/dbraw/zinc/38/13/68/1036381368.db2.gz UCLWYDLVQCNNFW-LJQANCHMSA-N 2 0 302.506 3.967 20 0 DHADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001182545424 1036384174 /nfs/dbraw/zinc/38/41/74/1036384174.db2.gz WHHOXGHWJGQBPT-FYQPLNBISA-N 2 0 300.490 3.890 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]1CCSC1 ZINC000486939169 1036475984 /nfs/dbraw/zinc/47/59/84/1036475984.db2.gz JKFGGZJQOJUSFZ-IAGOWNOFSA-N 2 0 318.530 3.904 20 0 DHADRP C[C@@]1(C[NH3+])CCCCN(Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206550289 1036496402 /nfs/dbraw/zinc/49/64/02/1036496402.db2.gz ZMXPOFIBJIDQIZ-HNNXBMFYSA-N 2 0 318.358 3.795 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C/C=C/c2ccncc2)c1 ZINC000486989911 1036501535 /nfs/dbraw/zinc/50/15/35/1036501535.db2.gz NZZXCSOWCWBOIW-VMPITWQZSA-N 2 0 309.457 3.725 20 0 DHADRP CC(C)C1(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC001183355700 1036571651 /nfs/dbraw/zinc/57/16/51/1036571651.db2.gz RWOFYSDJCJEVCX-UHFFFAOYSA-N 2 0 300.490 3.676 20 0 DHADRP C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000495369601 1036579057 /nfs/dbraw/zinc/57/90/57/1036579057.db2.gz UKSYTEHNZQYZRI-VOCYLRNQSA-N 2 0 324.468 3.991 20 0 DHADRP CCC1([NH+](C)C)CC[NH+](CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001196683626 1036585558 /nfs/dbraw/zinc/58/55/58/1036585558.db2.gz GWCWUMXCVBWVLI-KRWDZBQOSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1ccc(CCC[NH2+]C[C@H]2CCN2C2CCCCCC2)cn1 ZINC001183379643 1036589051 /nfs/dbraw/zinc/58/90/51/1036589051.db2.gz QBOOROAQOPSMIR-HXUWFJFHSA-N 2 0 315.505 3.709 20 0 DHADRP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495410169 1036618026 /nfs/dbraw/zinc/61/80/26/1036618026.db2.gz UDTJSKXSTMTKKD-SXLOBPIMSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCN1c1cc[nH+]cc1 ZINC001183532604 1036623406 /nfs/dbraw/zinc/62/34/06/1036623406.db2.gz FGGQESWQYWWZTI-MRXNPFEDSA-N 2 0 307.441 3.670 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)CO2)CC1 ZINC001183532895 1036623531 /nfs/dbraw/zinc/62/35/31/1036623531.db2.gz HVGGQHKJIVHYGI-BHIYHBOVSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413362 1036626069 /nfs/dbraw/zinc/62/60/69/1036626069.db2.gz DUFPQQCGSHOYJX-KBAYOESNSA-N 2 0 322.537 3.965 20 0 DHADRP Cc1c(CN2CCC[C@@](C)([NH3+])CC2)cccc1C(F)(F)F ZINC001205280526 1036648713 /nfs/dbraw/zinc/64/87/13/1036648713.db2.gz BOPREPDMCCUNTH-OAHLLOKOSA-N 2 0 300.368 3.717 20 0 DHADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CC=CCC4)C[C@@H]3C2)cc1 ZINC001183886813 1036697368 /nfs/dbraw/zinc/69/73/68/1036697368.db2.gz WDOXMLFPBIHUEI-NJYVYQBISA-N 2 0 310.485 3.797 20 0 DHADRP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924827659 1036732508 /nfs/dbraw/zinc/73/25/08/1036732508.db2.gz CSRBXYCBIJIXEY-WOJBJXKFSA-N 2 0 318.505 3.678 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCCC(C)(C)O2)CC1 ZINC001184178118 1036750611 /nfs/dbraw/zinc/75/06/11/1036750611.db2.gz NHLBGTYUDKHIHB-QRQLOZEOSA-N 2 0 322.537 3.967 20 0 DHADRP CC[NH+](CC)CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC001184339702 1036818600 /nfs/dbraw/zinc/81/86/00/1036818600.db2.gz RTUCSZKEIXIPSG-BJLQDIEVSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@H](CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000668819662 1036831305 /nfs/dbraw/zinc/83/13/05/1036831305.db2.gz POBKJFITWIXMBQ-MJGOQNOKSA-N 2 0 300.490 3.892 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000492425397 1036870397 /nfs/dbraw/zinc/87/03/97/1036870397.db2.gz ROWHVHBQBDGMFE-OFQRWUPVSA-N 2 0 314.395 3.685 20 0 DHADRP Fc1ccc2cc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)[nH]c2c1 ZINC000488314030 1036960874 /nfs/dbraw/zinc/96/08/74/1036960874.db2.gz NXQHOCHGMARLQL-CQSZACIVSA-N 2 0 324.403 3.636 20 0 DHADRP CCCOc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000236875530 1036982739 /nfs/dbraw/zinc/98/27/39/1036982739.db2.gz ACKZQPDABYGWIQ-UHFFFAOYSA-N 2 0 304.478 3.874 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CCCCC2)C[C@H](C)O1 ZINC000237619749 1037019603 /nfs/dbraw/zinc/01/96/03/1037019603.db2.gz BZLKKSCUHSETKL-CALCHBBNSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000237674379 1037022099 /nfs/dbraw/zinc/02/20/99/1037022099.db2.gz HCZKCYKMQCLJTC-LSJNQWAISA-N 2 0 304.453 3.926 20 0 DHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccnc3cc(F)ccc32)C[C@@H](C)C1 ZINC000488719258 1037116605 /nfs/dbraw/zinc/11/66/05/1037116605.db2.gz NWWBGYCVUNXQTL-BIENJYKASA-N 2 0 313.420 3.540 20 0 DHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccnc3cc(F)ccc32)C[C@@H](C)C1 ZINC000488719260 1037116926 /nfs/dbraw/zinc/11/69/26/1037116926.db2.gz NWWBGYCVUNXQTL-PJIJBLCYSA-N 2 0 313.420 3.540 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000316592831 1037138375 /nfs/dbraw/zinc/13/83/75/1037138375.db2.gz FYMAZZWXARZYON-ROUUACIJSA-N 2 0 302.462 3.582 20 0 DHADRP ClC1(Cl)C[C@@H]1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000915714405 1037150928 /nfs/dbraw/zinc/15/09/28/1037150928.db2.gz CRMSCFDUZHGLIF-OAHLLOKOSA-N 2 0 319.320 3.768 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)CC1(C)C ZINC001198952129 1037168412 /nfs/dbraw/zinc/16/84/12/1037168412.db2.gz AUTSTUFIJJIRPA-AWEZNQCLSA-N 2 0 315.288 3.998 20 0 DHADRP c1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000309973775 1037197675 /nfs/dbraw/zinc/19/76/75/1037197675.db2.gz PLYQLKAAINSFOQ-ZWKOTPCHSA-N 2 0 312.482 3.702 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000322373401 1037202920 /nfs/dbraw/zinc/20/29/20/1037202920.db2.gz LGKGARLCIIVRPW-HOTGVXAUSA-N 2 0 304.437 3.973 20 0 DHADRP C[N@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1cccc(Cl)c1 ZINC001235663952 1037221377 /nfs/dbraw/zinc/22/13/77/1037221377.db2.gz OPBOTPFJHBFWBZ-UHFFFAOYSA-N 2 0 306.862 3.679 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3scnc3c2)C1 ZINC001199344813 1037240551 /nfs/dbraw/zinc/24/05/51/1037240551.db2.gz KPNUVZRGDPHRCD-HNNXBMFYSA-N 2 0 317.502 3.898 20 0 DHADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001199385001 1037254799 /nfs/dbraw/zinc/25/47/99/1037254799.db2.gz YMTPEECMWHIHLD-FXAWDEMLSA-N 2 0 316.489 3.709 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000178217321 1037301984 /nfs/dbraw/zinc/30/19/84/1037301984.db2.gz FBJQLFCVZHSWIX-GOSISDBHSA-N 2 0 318.505 3.967 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001168459081 1037429338 /nfs/dbraw/zinc/42/93/38/1037429338.db2.gz KFTFFTORGGHWAQ-DKSSEZFCSA-N 2 0 306.469 3.890 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000670266918 1037488580 /nfs/dbraw/zinc/48/85/80/1037488580.db2.gz HDTNDRPNXRTNLB-PKOBYXMFSA-N 2 0 302.506 3.823 20 0 DHADRP C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670268383 1037491256 /nfs/dbraw/zinc/49/12/56/1037491256.db2.gz ZTOQKACTJQJZJS-HZPDHXFCSA-N 2 0 303.494 3.879 20 0 DHADRP Cc1nc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)cc2s1 ZINC000494090640 1037635132 /nfs/dbraw/zinc/63/51/32/1037635132.db2.gz SMKNYRWZNBXZDP-INIZCTEOSA-N 2 0 317.502 3.815 20 0 DHADRP Cc1nc2ccc(C[NH2+]C3CCC(C[NH+](C)C)CC3)cc2s1 ZINC000494171941 1037660033 /nfs/dbraw/zinc/66/00/33/1037660033.db2.gz KBEXGVUYVSCBND-UHFFFAOYSA-N 2 0 317.502 3.815 20 0 DHADRP c1ccc(C[NH+]2CC3(C2)CC[NH+](C[C@@H]2CC=CCC2)CC3)cc1 ZINC001201421362 1037661814 /nfs/dbraw/zinc/66/18/14/1037661814.db2.gz AXJOAKUJSKTKPV-LJQANCHMSA-N 2 0 310.485 3.941 20 0 DHADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201410132 1037678437 /nfs/dbraw/zinc/67/84/37/1037678437.db2.gz HVTIFMTVMBLBGL-JBACZVJFSA-N 2 0 310.485 3.715 20 0 DHADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201410114 1037678670 /nfs/dbraw/zinc/67/86/70/1037678670.db2.gz HVTIFMTVMBLBGL-GIVPXCGWSA-N 2 0 310.485 3.715 20 0 DHADRP Fc1cccc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000182803515 1037679577 /nfs/dbraw/zinc/67/95/77/1037679577.db2.gz VBKBFVMMURTWFK-LJQANCHMSA-N 2 0 304.453 3.709 20 0 DHADRP CCc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001201474024 1037737848 /nfs/dbraw/zinc/73/78/48/1037737848.db2.gz AGNOIEVJDUCAQT-RTWAWAEBSA-N 2 0 319.452 3.799 20 0 DHADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCO1 ZINC000490587697 1037744007 /nfs/dbraw/zinc/74/40/07/1037744007.db2.gz JBDBDJUGWGBNIN-GGPKGHCWSA-N 2 0 322.537 3.778 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001201568125 1037782581 /nfs/dbraw/zinc/78/25/81/1037782581.db2.gz NRXYXJOHTNQPAL-MJGOQNOKSA-N 2 0 310.526 3.778 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001201604416 1037805473 /nfs/dbraw/zinc/80/54/73/1037805473.db2.gz WJBLZSQDYSZFPZ-JOCHJYFZSA-N 2 0 320.480 3.827 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCCc1ccccc1 ZINC001201673814 1037825774 /nfs/dbraw/zinc/82/57/74/1037825774.db2.gz PVBHSDCESCDXML-VQTJNVASSA-N 2 0 300.490 3.958 20 0 DHADRP CC(C)c1ccccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201658527 1037836816 /nfs/dbraw/zinc/83/68/16/1037836816.db2.gz DINWSMSLIZWCJS-UHFFFAOYSA-N 2 0 310.445 3.700 20 0 DHADRP c1ccc(CCC[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201663875 1037840816 /nfs/dbraw/zinc/84/08/16/1037840816.db2.gz NBDCOHMCFXJOES-VXKWHMMOSA-N 2 0 320.480 3.683 20 0 DHADRP CCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001201706173 1037847802 /nfs/dbraw/zinc/84/78/02/1037847802.db2.gz LCZHJAWULRSKGQ-MRXNPFEDSA-N 2 0 322.518 3.604 20 0 DHADRP C[C@@H](CCC1CC1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000186241115 1037881079 /nfs/dbraw/zinc/88/10/79/1037881079.db2.gz MCIVDULEWYKROL-KRWDZBQOSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000063274544 1037890292 /nfs/dbraw/zinc/89/02/92/1037890292.db2.gz MMLXAOGZMFLTPP-QGZVFWFLSA-N 2 0 312.457 3.695 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000124388763 1037897642 /nfs/dbraw/zinc/89/76/42/1037897642.db2.gz LEDJNWZSBQKCLU-OCCSQVGLSA-N 2 0 321.534 3.884 20 0 DHADRP CS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001201857826 1037906777 /nfs/dbraw/zinc/90/67/77/1037906777.db2.gz SZBIRXZMZLBFQA-MSOLQXFVSA-N 2 0 310.551 3.905 20 0 DHADRP COCCC1(C[NH2+]C2CC[NH+](CC(C)C)CC2)CCCCC1 ZINC000186881584 1037936527 /nfs/dbraw/zinc/93/65/27/1037936527.db2.gz BHZIKRBFFOLXPY-UHFFFAOYSA-N 2 0 310.526 3.683 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000571088577 1038078938 /nfs/dbraw/zinc/07/89/38/1038078938.db2.gz WCGNFJDOCLAVDW-INIZCTEOSA-N 2 0 302.418 3.611 20 0 DHADRP Clc1ccc(CC[NH2+]Cc2ccc(-n3ccnc3)cc2)s1 ZINC000126630283 1038081020 /nfs/dbraw/zinc/08/10/20/1038081020.db2.gz TVAZSSVRUBMMCY-UHFFFAOYSA-N 2 0 317.845 3.920 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000126682023 1038087668 /nfs/dbraw/zinc/08/76/68/1038087668.db2.gz KDEVJAJLDQBIMB-RHSMWYFYSA-N 2 0 322.880 3.794 20 0 DHADRP Fc1ccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000162974647 1038096899 /nfs/dbraw/zinc/09/68/99/1038096899.db2.gz IMXSNNGWMGVDRC-UHFFFAOYSA-N 2 0 322.443 3.894 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000189270830 1038127190 /nfs/dbraw/zinc/12/71/90/1038127190.db2.gz BEYQKVVHZNLIHP-TXPKVOOTSA-N 2 0 304.478 3.602 20 0 DHADRP CCCCCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000065996765 1038133057 /nfs/dbraw/zinc/13/30/57/1038133057.db2.gz ITEWKTHBROXHLK-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000571416881 1038141385 /nfs/dbraw/zinc/14/13/85/1038141385.db2.gz IPKOWAFCUIWBKV-BPQIPLTHSA-N 2 0 304.478 3.654 20 0 DHADRP CSC1(C[NH2+]Cc2cc3ccccc3s2)CC[NH+](C)CC1 ZINC000571604473 1038173449 /nfs/dbraw/zinc/17/34/49/1038173449.db2.gz BHPDAJOQLKVIPW-UHFFFAOYSA-N 2 0 320.527 3.818 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)OC)ccc1OC ZINC000775399920 1038356953 /nfs/dbraw/zinc/35/69/53/1038356953.db2.gz GXSQBQSEWQFMJN-HNNXBMFYSA-N 2 0 322.493 3.613 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC2)cc1C[NH+]1CCCCC1 ZINC000775408972 1038377538 /nfs/dbraw/zinc/37/75/38/1038377538.db2.gz YKXHZNRKPVQFBQ-HNNXBMFYSA-N 2 0 302.462 3.884 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCC2CC2)ccc1OC ZINC000775413251 1038391136 /nfs/dbraw/zinc/39/11/36/1038391136.db2.gz ZHPNBJWWTXXTII-HNNXBMFYSA-N 2 0 304.478 3.988 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC000589099104 1038426081 /nfs/dbraw/zinc/42/60/81/1038426081.db2.gz CSXZHZKAEXWOGC-OAHLLOKOSA-N 2 0 314.477 3.538 20 0 DHADRP COc1cccc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168387753 1038445622 /nfs/dbraw/zinc/44/56/22/1038445622.db2.gz SIUZYWHHFCRKQV-HXUWFJFHSA-N 2 0 314.473 3.707 20 0 DHADRP CSC1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC[NH+](C)CC1 ZINC000589349404 1038467224 /nfs/dbraw/zinc/46/72/24/1038467224.db2.gz LIUXCBGHDSJIJM-QGZVFWFLSA-N 2 0 322.493 3.694 20 0 DHADRP CSC1(C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC[NH+](C)CC1 ZINC000589348147 1038467500 /nfs/dbraw/zinc/46/75/00/1038467500.db2.gz ZJSBNTWXFOOREO-ZACQAIPSSA-N 2 0 312.567 3.864 20 0 DHADRP CSC1(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCC1 ZINC000589495008 1038485890 /nfs/dbraw/zinc/48/58/90/1038485890.db2.gz NHSNEZFTNDAUDO-UHFFFAOYSA-N 2 0 310.551 3.860 20 0 DHADRP C[N@H+](Cc1cccc2cccnc21)C1CC[NH+](CC2CC2)CC1 ZINC001168391959 1038504918 /nfs/dbraw/zinc/50/49/18/1038504918.db2.gz PHRLULZDCSUEMI-UHFFFAOYSA-N 2 0 309.457 3.541 20 0 DHADRP c1coc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001203290003 1038557511 /nfs/dbraw/zinc/55/75/11/1038557511.db2.gz SWIVRQDWNSDVBZ-RTBURBONSA-N 2 0 310.441 3.624 20 0 DHADRP C1=C[C@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCCC1 ZINC001192482642 1038673169 /nfs/dbraw/zinc/67/31/69/1038673169.db2.gz ZGFUNARKSAASKF-FQEVSTJZSA-N 2 0 320.521 3.700 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000590786990 1038705502 /nfs/dbraw/zinc/70/55/02/1038705502.db2.gz TYEXQABUNHJUPQ-UHFFFAOYSA-N 2 0 324.896 3.771 20 0 DHADRP CSC1(C[NH2+][C@H](c2ccccc2)C2CCC2)CC[NH+](C)CC1 ZINC000603428090 1038970474 /nfs/dbraw/zinc/97/04/74/1038970474.db2.gz JORHPFIXYGGSQG-GOSISDBHSA-N 2 0 318.530 3.945 20 0 DHADRP Fc1ccc2c(NCC[NH+]3Cc4ccccc4C3)cc[nH+]c2c1 ZINC000603493720 1039022764 /nfs/dbraw/zinc/02/27/64/1039022764.db2.gz DCMAGAQBLVGUCR-UHFFFAOYSA-N 2 0 307.372 3.802 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000603515637 1039036306 /nfs/dbraw/zinc/03/63/06/1039036306.db2.gz HDBBFZNXDVXSKT-JTDSTZFVSA-N 2 0 304.478 3.541 20 0 DHADRP CCC(CC)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000592461404 1039210126 /nfs/dbraw/zinc/21/01/26/1039210126.db2.gz LEBCSOXGIPTBOE-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415921 1039224547 /nfs/dbraw/zinc/22/45/47/1039224547.db2.gz SRPQRQPQIJUSLK-LJQANCHMSA-N 2 0 316.464 3.667 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415920 1039225950 /nfs/dbraw/zinc/22/59/50/1039225950.db2.gz SRPQRQPQIJUSLK-IBGZPJMESA-N 2 0 316.464 3.667 20 0 DHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000604415474 1039470099 /nfs/dbraw/zinc/47/00/99/1039470099.db2.gz QPOZNGICQJCCQQ-UHFFFAOYSA-N 2 0 304.409 3.826 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000087759178 1039643894 /nfs/dbraw/zinc/64/38/94/1039643894.db2.gz JCHIVAGZCBJHOY-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168421154 1039776425 /nfs/dbraw/zinc/77/64/25/1039776425.db2.gz ORFWNLQJGZKTPI-KXBFYZLASA-N 2 0 304.453 3.524 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000594986550 1039998449 /nfs/dbraw/zinc/99/84/49/1039998449.db2.gz FZNFBSJHINLRKB-UHFFFAOYSA-N 2 0 318.530 3.569 20 0 DHADRP CC(C)[C@@H](C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000606915260 1040038847 /nfs/dbraw/zinc/03/88/47/1040038847.db2.gz XDPCLNOXVAWHLA-KRWDZBQOSA-N 2 0 304.478 3.543 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000595098486 1040082224 /nfs/dbraw/zinc/08/22/24/1040082224.db2.gz GMQQJIUGVPBQKH-RDJZCZTQSA-N 2 0 310.551 3.905 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091317613 193038360 /nfs/dbraw/zinc/03/83/60/193038360.db2.gz XWDOLYYDLYZJOO-HXUWFJFHSA-N 2 0 316.489 3.537 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000045662716 183521961 /nfs/dbraw/zinc/52/19/61/183521961.db2.gz QBMFCBNPIZHNJK-GFCCVEGCSA-N 2 0 304.356 3.578 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626148 184179205 /nfs/dbraw/zinc/17/92/05/184179205.db2.gz YHERZZPBAXHARD-JMSVASOKSA-N 2 0 300.368 3.524 20 0 DHADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc2c(c1)COC2)[NH+]1CCCCC1 ZINC000273310457 130104733 /nfs/dbraw/zinc/10/47/33/130104733.db2.gz WMFDNFXRNOIFLQ-HOTGVXAUSA-N 2 0 302.462 3.632 20 0 DHADRP CC(C)OCCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759498 130258814 /nfs/dbraw/zinc/25/88/14/130258814.db2.gz JUKHISSZTOSNAV-AZUAARDMSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cn1 ZINC000274937679 130276336 /nfs/dbraw/zinc/27/63/36/130276336.db2.gz SGNAFLKACCMUHA-ZDUSSCGKSA-N 2 0 303.837 3.647 20 0 DHADRP Cc1[nH+]c2c(n1[C@H]1CCN(c3ccncc3Cl)C1)CCCC2 ZINC000275411123 130316439 /nfs/dbraw/zinc/31/64/39/130316439.db2.gz QQWGHRBMZFHIBY-ZDUSSCGKSA-N 2 0 316.836 3.570 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000275585132 130343934 /nfs/dbraw/zinc/34/39/34/130343934.db2.gz OAMPQWFVPAZEFK-APWZRJJASA-N 2 0 304.453 3.924 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000278185936 130669647 /nfs/dbraw/zinc/66/96/47/130669647.db2.gz BVGXSEXHJMIPSY-LJQANCHMSA-N 2 0 301.478 3.633 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCS2 ZINC000278580902 130703121 /nfs/dbraw/zinc/70/31/21/130703121.db2.gz YDJKNKCENFSGNZ-KRWDZBQOSA-N 2 0 320.477 3.827 20 0 DHADRP Cc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000284113334 131050188 /nfs/dbraw/zinc/05/01/88/131050188.db2.gz SRGATSGYAXHOFS-UHFFFAOYSA-N 2 0 324.468 3.758 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCCCCO)CC1 ZINC000285206032 131147104 /nfs/dbraw/zinc/14/71/04/131147104.db2.gz OHOOXEHAZAISEB-UHFFFAOYSA-N 2 0 318.505 3.572 20 0 DHADRP CC[N@H+](Cc1cnc(C)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289424562 131385599 /nfs/dbraw/zinc/38/55/99/131385599.db2.gz JRLRWRVARUOQGM-UHFFFAOYSA-N 2 0 303.475 3.535 20 0 DHADRP CC[N@H+](Cc1ccc(COC)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289463187 131388048 /nfs/dbraw/zinc/38/80/48/131388048.db2.gz OOVYRNNSKYKTSG-UHFFFAOYSA-N 2 0 316.445 3.510 20 0 DHADRP c1cc(C[NH+]2CCCCC2)cc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000297279881 132007094 /nfs/dbraw/zinc/00/70/94/132007094.db2.gz AAHKECAGFLCERV-UHFFFAOYSA-N 2 0 313.489 3.711 20 0 DHADRP CCC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000297439984 132015401 /nfs/dbraw/zinc/01/54/01/132015401.db2.gz WBIKTHMBVOWCGU-IYWMVGAKSA-N 2 0 316.489 3.587 20 0 DHADRP c1ccc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000297481229 132017983 /nfs/dbraw/zinc/01/79/83/132017983.db2.gz SGUSPOWXLKKWEV-NRFANRHFSA-N 2 0 321.468 3.834 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000297490255 132018934 /nfs/dbraw/zinc/01/89/34/132018934.db2.gz KLEFKBSVUKSETN-CABCVRRESA-N 2 0 309.413 3.625 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000120149516 132139419 /nfs/dbraw/zinc/13/94/19/132139419.db2.gz VLXIWPKMCRFPTQ-JKSUJKDBSA-N 2 0 319.493 3.806 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000044516950 132160549 /nfs/dbraw/zinc/16/05/49/132160549.db2.gz KPSOUGWCLHRWOI-UHFFFAOYSA-N 2 0 300.471 3.847 20 0 DHADRP COc1ccc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc2c1 ZINC000131829188 196202408 /nfs/dbraw/zinc/20/24/08/196202408.db2.gz VMGWRRWZCHRFMG-IHWFROFDSA-N 2 0 324.468 3.953 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000570649472 332791084 /nfs/dbraw/zinc/79/10/84/332791084.db2.gz ORMOIEQNVGFGFL-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000530626620 331613285 /nfs/dbraw/zinc/61/32/85/331613285.db2.gz PZQATIRBKVTNCN-UHFFFAOYSA-N 2 0 312.860 3.685 20 0 DHADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261701176 331783086 /nfs/dbraw/zinc/78/30/86/331783086.db2.gz JYRFUEWAYKSTEW-GBESFXJTSA-N 2 0 309.457 3.635 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cncs1 ZINC000128693481 332014695 /nfs/dbraw/zinc/01/46/95/332014695.db2.gz ZCNSVLFABXPOJK-AWEZNQCLSA-N 2 0 303.475 3.836 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312393 332023576 /nfs/dbraw/zinc/02/35/76/332023576.db2.gz SXPRKBLOASUITC-PKOBYXMFSA-N 2 0 318.530 3.975 20 0 DHADRP CC(C)Oc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131776209 332033524 /nfs/dbraw/zinc/03/35/24/332033524.db2.gz CJSXEZMIIRGMQD-AYHJJNSGSA-N 2 0 302.462 3.579 20 0 DHADRP CSC1(C[NH2+][C@H]2CCCC23CCCCC3)CC[NH+](C)CC1 ZINC000449338503 332051477 /nfs/dbraw/zinc/05/14/77/332051477.db2.gz SCFXIZABMZFCMN-INIZCTEOSA-N 2 0 310.551 3.906 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000091957350 332097079 /nfs/dbraw/zinc/09/70/79/332097079.db2.gz WBJJZAHUGYODCK-VBNZEHGJSA-N 2 0 323.278 3.727 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000093597107 332140642 /nfs/dbraw/zinc/14/06/42/332140642.db2.gz SMKSOQJWDYSLFH-SFHVURJKSA-N 2 0 324.468 3.766 20 0 DHADRP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000317786711 332190646 /nfs/dbraw/zinc/19/06/46/332190646.db2.gz AVNCKSAZEIILBO-IEBWSBKVSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000566222445 332255944 /nfs/dbraw/zinc/25/59/44/332255944.db2.gz YCKSREIXEXJHDR-USXIJHARSA-N 2 0 308.441 3.558 20 0 DHADRP CC(C)c1ccc(OC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000566230332 332264482 /nfs/dbraw/zinc/26/44/82/332264482.db2.gz DPXQAXLJGMDOTC-QGZVFWFLSA-N 2 0 316.489 3.653 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000566245010 332276711 /nfs/dbraw/zinc/27/67/11/332276711.db2.gz HNPDPONADIWHQE-KRWDZBQOSA-N 2 0 320.383 3.988 20 0 DHADRP CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000559752332 332279046 /nfs/dbraw/zinc/27/90/46/332279046.db2.gz FXLWEEBJUSFKQD-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)C[C@@H]1c1ccccc1 ZINC000559855867 332285710 /nfs/dbraw/zinc/28/57/10/332285710.db2.gz PWXBGKRJNVMHPM-WSTZPKSXSA-N 2 0 322.452 3.588 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000560021359 332302533 /nfs/dbraw/zinc/30/25/33/332302533.db2.gz FTAAZCWWNILVKZ-KBPBESRZSA-N 2 0 312.860 3.874 20 0 DHADRP C[NH2+]CCC1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000577849958 332309244 /nfs/dbraw/zinc/30/92/44/332309244.db2.gz OCFIHSYDHQPKNE-UHFFFAOYSA-N 2 0 312.860 3.733 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccncc2C)CC1)CC(C)C ZINC000560146026 332314705 /nfs/dbraw/zinc/31/47/05/332314705.db2.gz KXHCKKMMEBSLKO-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449499617 332315003 /nfs/dbraw/zinc/31/50/03/332315003.db2.gz UBHXMQXKCJNOSW-AWEZNQCLSA-N 2 0 300.437 3.809 20 0 DHADRP C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990492 332340828 /nfs/dbraw/zinc/34/08/28/332340828.db2.gz WJJJBMCPIUHDJM-YIYPIFLZSA-N 2 0 312.910 3.825 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000560527906 332351701 /nfs/dbraw/zinc/35/17/01/332351701.db2.gz GOWFOVJUESSEDP-RYQLBKOJSA-N 2 0 306.519 3.984 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000560528442 332352027 /nfs/dbraw/zinc/35/20/27/332352027.db2.gz FXYDPJFOEWNWLR-JCGIZDLHSA-N 2 0 304.453 3.566 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560571111 332362235 /nfs/dbraw/zinc/36/22/35/332362235.db2.gz FEFNLXHBMOBPLY-CPUCHLNUSA-N 2 0 319.880 3.613 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCCCOc3ccccc3)C2)C1 ZINC000560594357 332366701 /nfs/dbraw/zinc/36/67/01/332366701.db2.gz HAXBQDPBGHLTKP-HXUWFJFHSA-N 2 0 316.489 3.653 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@]1(C)CCCO1 ZINC000428455170 332428148 /nfs/dbraw/zinc/42/81/48/332428148.db2.gz SGBMEWSSQQQXRG-MKCYZYCBSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cnccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000562519533 332601249 /nfs/dbraw/zinc/60/12/49/332601249.db2.gz DKYJTQAZKLBGBS-UHFFFAOYSA-N 2 0 309.457 3.666 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000171980127 332664112 /nfs/dbraw/zinc/66/41/12/332664112.db2.gz CIPMLPGLGKRVIZ-KRWDZBQOSA-N 2 0 309.457 3.644 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]CCC3CC[NH+](C)CC3)oc21 ZINC000181698969 333031147 /nfs/dbraw/zinc/03/11/47/333031147.db2.gz CBHMBRGDBIIPCJ-CQSZACIVSA-N 2 0 316.445 3.824 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529539278 335122380 /nfs/dbraw/zinc/12/23/80/335122380.db2.gz DNABQPXEACXAPZ-CQSZACIVSA-N 2 0 302.453 3.768 20 0 DHADRP C[C@@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000177357966 333127907 /nfs/dbraw/zinc/12/79/07/333127907.db2.gz JCPMWBQINUDCDP-HKUYNNGSSA-N 2 0 309.457 3.597 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000582026434 333172061 /nfs/dbraw/zinc/17/20/61/333172061.db2.gz HWVISKQKXADFNX-WSTZPKSXSA-N 2 0 323.569 3.740 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000319082041 333254494 /nfs/dbraw/zinc/25/44/94/333254494.db2.gz PKPLEWKWCNEQEK-UHFFFAOYSA-N 2 0 318.358 3.666 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000310763132 333258473 /nfs/dbraw/zinc/25/84/73/333258473.db2.gz NAQSVFJJNLBBHF-IUODEOHRSA-N 2 0 313.283 3.688 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000319412233 333299081 /nfs/dbraw/zinc/29/90/81/333299081.db2.gz HBILLDOLPPSAJI-HHUCQEJWSA-N 2 0 300.490 3.889 20 0 DHADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390697527 333315805 /nfs/dbraw/zinc/31/58/05/333315805.db2.gz AORFFJQEIQQVMG-ZHALLVOQSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390697525 333315987 /nfs/dbraw/zinc/31/59/87/333315987.db2.gz AORFFJQEIQQVMG-KVPLUYHFSA-N 2 0 300.490 3.923 20 0 DHADRP COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000183942444 333328063 /nfs/dbraw/zinc/32/80/63/333328063.db2.gz JGIWUZVPYFHEET-HNNXBMFYSA-N 2 0 301.434 3.586 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000531382199 333347837 /nfs/dbraw/zinc/34/78/37/333347837.db2.gz FZOAEWWNUDTHKO-UHFFFAOYSA-N 2 0 324.896 3.915 20 0 DHADRP Cc1cccn2c(C[NH2+]C[C@@H]3SCCc4ccccc43)cnc12 ZINC000531390087 333348716 /nfs/dbraw/zinc/34/87/16/333348716.db2.gz POSAGEGFSCDKIS-SFHVURJKSA-N 2 0 323.465 3.763 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488428828 333376450 /nfs/dbraw/zinc/37/64/50/333376450.db2.gz LOWCJGYJCAMXEM-ZWKOTPCHSA-N 2 0 312.567 3.864 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCSc2ccccc2)CC1 ZINC000522775697 333389026 /nfs/dbraw/zinc/38/90/26/333389026.db2.gz XGQQCUDQJNFGBJ-UHFFFAOYSA-N 2 0 306.519 3.833 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000563095898 333389494 /nfs/dbraw/zinc/38/94/94/333389494.db2.gz VKAIZBFGHPIKSN-UHFFFAOYSA-N 2 0 302.453 3.864 20 0 DHADRP C[NH2+]C[C@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000563131687 333395288 /nfs/dbraw/zinc/39/52/88/333395288.db2.gz FAWFHSLDVIRLDP-OAHLLOKOSA-N 2 0 314.395 3.569 20 0 DHADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000563131686 333395495 /nfs/dbraw/zinc/39/54/95/333395495.db2.gz FAWFHSLDVIRLDP-HNNXBMFYSA-N 2 0 314.395 3.569 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000063158835 333445874 /nfs/dbraw/zinc/44/58/74/333445874.db2.gz RWINXFLPHOCJIQ-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000571416895 333787876 /nfs/dbraw/zinc/78/78/76/333787876.db2.gz IPKOWAFCUIWBKV-NJAFHUGGSA-N 2 0 304.478 3.654 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000414058075 333888569 /nfs/dbraw/zinc/88/85/69/333888569.db2.gz GUSLBVTTWWSQQM-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414117888 333906196 /nfs/dbraw/zinc/90/61/96/333906196.db2.gz SYOVZJAKUAVAFY-MRXNPFEDSA-N 2 0 304.478 3.776 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414193845 333912029 /nfs/dbraw/zinc/91/20/29/333912029.db2.gz VAUIBKJIMRXRHJ-FQEVSTJZSA-N 2 0 323.440 3.665 20 0 DHADRP [NH3+]C[C@H]1CC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414660231 334060195 /nfs/dbraw/zinc/06/01/95/334060195.db2.gz UVNMKNDSIQJYDE-WWPOYFSUSA-N 2 0 322.452 3.559 20 0 DHADRP C[NH2+]C[C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414666960 334062357 /nfs/dbraw/zinc/06/23/57/334062357.db2.gz GXFMTCPBYJENJZ-NRFANRHFSA-N 2 0 322.496 3.629 20 0 DHADRP C[NH2+]C[C@@H]1CCN(Cc2ccc(OCc3ccc(C)cc3)cc2)C1 ZINC000414672310 334065031 /nfs/dbraw/zinc/06/50/31/334065031.db2.gz NTUWDONCJWIKLY-FQEVSTJZSA-N 2 0 324.468 3.615 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC000414755056 334085645 /nfs/dbraw/zinc/08/56/45/334085645.db2.gz OOQXVHDYDMWARC-LBTNJELSSA-N 2 0 308.416 3.880 20 0 DHADRP C[C@H]1C[C@H](C[NH+]2CCC(c3c(F)cccc3F)CC2)CC[NH2+]1 ZINC000414755777 334085830 /nfs/dbraw/zinc/08/58/30/334085830.db2.gz PQVMBWZJBRBQON-UONOGXRCSA-N 2 0 308.416 3.532 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414777299 334092074 /nfs/dbraw/zinc/09/20/74/334092074.db2.gz HZEPQUYNELCWHA-RYUDHWBXSA-N 2 0 318.408 3.588 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778985 334092573 /nfs/dbraw/zinc/09/25/73/334092573.db2.gz JYEXKBKGQNOFCM-CABCVRRESA-N 2 0 300.471 3.723 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414778540 334092862 /nfs/dbraw/zinc/09/28/62/334092862.db2.gz IZIXSLIINZNWNA-RTWAWAEBSA-N 2 0 321.468 3.570 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414782730 334093999 /nfs/dbraw/zinc/09/39/99/334093999.db2.gz OTRFKDDPCKXJRS-CABCVRRESA-N 2 0 312.379 3.527 20 0 DHADRP CCN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414790159 334097644 /nfs/dbraw/zinc/09/76/44/334097644.db2.gz PCXZZJBXSOROBU-UHFFFAOYSA-N 2 0 309.457 3.686 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801227 334101721 /nfs/dbraw/zinc/10/17/21/334101721.db2.gz IZYLBTXDFOPFTL-KBPBESRZSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801347 334102048 /nfs/dbraw/zinc/10/20/48/334102048.db2.gz TZMPJLPKXFHZRG-XHSDSOJGSA-N 2 0 314.395 3.914 20 0 DHADRP CCC([NH3+])(CC)C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414806059 334103602 /nfs/dbraw/zinc/10/36/02/334103602.db2.gz HALRVDRZGMFEFP-GFCCVEGCSA-N 2 0 302.384 3.916 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414807824 334104166 /nfs/dbraw/zinc/10/41/66/334104166.db2.gz ROQODUCLQGWHFE-AAEUAGOBSA-N 2 0 318.795 3.549 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000414809993 334104761 /nfs/dbraw/zinc/10/47/61/334104761.db2.gz NEPSVPALXBXWLD-GFCCVEGCSA-N 2 0 306.356 3.598 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000414810223 334105253 /nfs/dbraw/zinc/10/52/53/334105253.db2.gz HOTFBZYKKVYACU-GLQYFDAESA-N 2 0 300.368 3.917 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000414817284 334106979 /nfs/dbraw/zinc/10/69/79/334106979.db2.gz RWVHKVXPZUJAMP-HNNXBMFYSA-N 2 0 310.441 3.785 20 0 DHADRP Clc1ccc(OC2CCCC2)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414830372 334110483 /nfs/dbraw/zinc/11/04/83/334110483.db2.gz LYASZJKUHFEGHA-AWEZNQCLSA-N 2 0 322.880 3.751 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848897 334121750 /nfs/dbraw/zinc/12/17/50/334121750.db2.gz XOZKTSLQOJWRBO-RCBQFDQVSA-N 2 0 314.395 3.787 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414849531 334121962 /nfs/dbraw/zinc/12/19/62/334121962.db2.gz XSKOAUGBZPDLRY-ZDUSSCGKSA-N 2 0 314.395 3.888 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000281373749 334125599 /nfs/dbraw/zinc/12/55/99/334125599.db2.gz WTGHCPNJLZVKTD-IAGOWNOFSA-N 2 0 303.494 3.594 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414854977 334128135 /nfs/dbraw/zinc/12/81/35/334128135.db2.gz MMBPGYITWCADGQ-IPYPFGDCSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])CCCCCC3)CC2)C1 ZINC000414864580 334134874 /nfs/dbraw/zinc/13/48/74/334134874.db2.gz ZOIXAOKBWFDORT-PKOBYXMFSA-N 2 0 321.553 3.671 20 0 DHADRP [NH3+]C1(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCC1 ZINC000414871586 334142740 /nfs/dbraw/zinc/14/27/40/334142740.db2.gz DIMKMKZWQNVXMG-UHFFFAOYSA-N 2 0 308.469 3.559 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1OC ZINC000286248156 334152475 /nfs/dbraw/zinc/15/24/75/334152475.db2.gz UGTFFVBSHUBCGV-HRCADAONSA-N 2 0 320.477 3.536 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000414935906 334198036 /nfs/dbraw/zinc/19/80/36/334198036.db2.gz GHRZMAWZQZCXNN-LIRRHRJNSA-N 2 0 314.404 3.706 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414945827 334204904 /nfs/dbraw/zinc/20/49/04/334204904.db2.gz SFHWUYCYMUBFLR-MLGOLLRUSA-N 2 0 315.288 3.904 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946006 334205195 /nfs/dbraw/zinc/20/51/95/334205195.db2.gz JDOCXQVVKUDOHT-WOPDTQHZSA-N 2 0 301.261 3.655 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414945066 334205304 /nfs/dbraw/zinc/20/53/04/334205304.db2.gz HUBPHSGVJMQZLA-CRAIPNDOSA-N 2 0 310.441 3.592 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000414949013 334206945 /nfs/dbraw/zinc/20/69/45/334206945.db2.gz ZIBBXRMAGAJSGW-KXBFYZLASA-N 2 0 312.482 3.925 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414957021 334208890 /nfs/dbraw/zinc/20/88/90/334208890.db2.gz BESWKHQPZBZSJE-CJNGLKHVSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414961278 334212724 /nfs/dbraw/zinc/21/27/24/334212724.db2.gz YSETWARPLBBATL-FXAWDEMLSA-N 2 0 308.469 3.571 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)o1 ZINC000414962281 334213069 /nfs/dbraw/zinc/21/30/69/334213069.db2.gz CBCRUBNYERNGPU-CQSZACIVSA-N 2 0 302.393 3.708 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000414970573 334218237 /nfs/dbraw/zinc/21/82/37/334218237.db2.gz VDIFPUCVQYQJJC-OXJNMPFZSA-N 2 0 309.457 3.502 20 0 DHADRP C[C@@H](CC[NH2+]C[C@]1(C)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415086291 334273315 /nfs/dbraw/zinc/27/33/15/334273315.db2.gz JKSHVUWSACYESP-BBRMVZONSA-N 2 0 314.395 3.788 20 0 DHADRP Fc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(Cl)c1Cl ZINC000414972758 334220492 /nfs/dbraw/zinc/22/04/92/334220492.db2.gz YDELLAXTFSLBPB-LLVKDONJSA-N 2 0 305.224 3.754 20 0 DHADRP COc1cc(Cl)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414975960 334222500 /nfs/dbraw/zinc/22/25/00/334222500.db2.gz PBEADCSTYCIDQP-LBPRGKRZSA-N 2 0 317.260 3.624 20 0 DHADRP Clc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c2ncccc12 ZINC000414976401 334222588 /nfs/dbraw/zinc/22/25/88/334222588.db2.gz PUZBBYBCPZBPSN-CQSZACIVSA-N 2 0 303.837 3.510 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000187798073 334273686 /nfs/dbraw/zinc/27/36/86/334273686.db2.gz QNUBYUWMSVHVCR-SFTDATJTSA-N 2 0 312.501 3.961 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+]C[C@@H]([NH3+])CC(C)C)s2)cs1 ZINC000415085033 334274006 /nfs/dbraw/zinc/27/40/06/334274006.db2.gz HQKLRLOJHKEBDP-ZDUSSCGKSA-N 2 0 323.531 3.686 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414992456 334231078 /nfs/dbraw/zinc/23/10/78/334231078.db2.gz KMRDOVCBWSAJIB-DOMZBBRYSA-N 2 0 319.449 3.556 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000414995975 334234828 /nfs/dbraw/zinc/23/48/28/334234828.db2.gz GACWBDGDTQOWKB-YOEHRIQHSA-N 2 0 322.880 3.736 20 0 DHADRP COc1cc(Cl)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414996216 334235214 /nfs/dbraw/zinc/23/52/14/334235214.db2.gz GGYDWLXGYOGUSN-ZYHUDNBSSA-N 2 0 317.260 3.609 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414996953 334235325 /nfs/dbraw/zinc/23/53/25/334235325.db2.gz PAXDAQVGSJGHLO-GWCFXTLKSA-N 2 0 317.260 3.609 20 0 DHADRP C[C@H]1C[C@H](C[NH2+]CCOc2ccccc2-c2ccccc2)CC[NH2+]1 ZINC000415086542 334275018 /nfs/dbraw/zinc/27/50/18/334275018.db2.gz RULAZTPZOOJUET-ZWKOTPCHSA-N 2 0 324.468 3.710 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000415004968 334245601 /nfs/dbraw/zinc/24/56/01/334245601.db2.gz YNMOYFKMIASMSO-AZUAARDMSA-N 2 0 324.468 3.873 20 0 DHADRP CC(C)C[C@H]([NH3+])CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415086868 334275316 /nfs/dbraw/zinc/27/53/16/334275316.db2.gz SAUAXCKWEBLBSD-UONOGXRCSA-N 2 0 306.347 3.782 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415009337 334253360 /nfs/dbraw/zinc/25/33/60/334253360.db2.gz TXIOCQUGSPQOCR-FRRDWIJNSA-N 2 0 300.899 3.830 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000415014867 334258695 /nfs/dbraw/zinc/25/86/95/334258695.db2.gz NHMGCNVOWRCJHS-SNVBAGLBSA-N 2 0 306.784 3.549 20 0 DHADRP COc1ccc(Oc2ccc(C[NH2+][C@@H](C)CCC[NH3+])cc2)cc1 ZINC000415023529 334259488 /nfs/dbraw/zinc/25/94/88/334259488.db2.gz NCOVJXITPARLIJ-HNNXBMFYSA-N 2 0 314.429 3.705 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000415025362 334259756 /nfs/dbraw/zinc/25/97/56/334259756.db2.gz QSMYHOUTVLFGQS-HNNXBMFYSA-N 2 0 316.420 3.622 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000415026226 334259830 /nfs/dbraw/zinc/25/98/30/334259830.db2.gz SXQDSJWPYOYQDY-HNNXBMFYSA-N 2 0 316.420 3.622 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415035107 334260472 /nfs/dbraw/zinc/26/04/72/334260472.db2.gz KNJZTKYKXCQOAI-DNVCBOLYSA-N 2 0 310.441 3.579 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415035111 334260556 /nfs/dbraw/zinc/26/05/56/334260556.db2.gz KNJZTKYKXCQOAI-KXBFYZLASA-N 2 0 310.441 3.579 20 0 DHADRP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000415046520 334261170 /nfs/dbraw/zinc/26/11/70/334261170.db2.gz CQMKGOINACCFJE-KRWDZBQOSA-N 2 0 318.848 3.918 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000415044449 334261294 /nfs/dbraw/zinc/26/12/94/334261294.db2.gz SPTQJTAWAGGNBH-FSSWDIPSSA-N 2 0 322.496 3.948 20 0 DHADRP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000415048103 334261518 /nfs/dbraw/zinc/26/15/18/334261518.db2.gz FOZMQAYRHARZJA-DNVCBOLYSA-N 2 0 300.421 3.999 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415054514 334261619 /nfs/dbraw/zinc/26/16/19/334261619.db2.gz NQEUKSJYYCWAPJ-HNAYVOBHSA-N 2 0 300.421 3.827 20 0 DHADRP CCc1ccccc1[C@H](N)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415067494 334262696 /nfs/dbraw/zinc/26/26/96/334262696.db2.gz PPJASQSIYFNOQY-QGZVFWFLSA-N 2 0 320.383 3.640 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1nc(C(F)(F)F)cs1 ZINC000415077825 334270157 /nfs/dbraw/zinc/27/01/57/334270157.db2.gz FNLUSCIRSSIFQW-WDEREUQCSA-N 2 0 321.412 3.562 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000415079058 334270522 /nfs/dbraw/zinc/27/05/22/334270522.db2.gz HKYBOIIPSWWJIS-QZTJIDSGSA-N 2 0 308.469 3.796 20 0 DHADRP c1ccc(COCc2ccccc2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000415090035 334279926 /nfs/dbraw/zinc/27/99/26/334279926.db2.gz ZQPQKXLXMIMHCG-NRFANRHFSA-N 2 0 324.468 3.635 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415092639 334280327 /nfs/dbraw/zinc/28/03/27/334280327.db2.gz UBGDLKOBGBROHF-OQUILHJVSA-N 2 0 310.869 3.536 20 0 DHADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415093626 334280661 /nfs/dbraw/zinc/28/06/61/334280661.db2.gz CHYFDYCODDIHRG-DOMZBBRYSA-N 2 0 302.384 3.772 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+]C3CCC([NH3+])CC3)s2)cc1 ZINC000415102071 334282517 /nfs/dbraw/zinc/28/25/17/334282517.db2.gz JECOMPNHZFTAHX-UHFFFAOYSA-N 2 0 316.470 3.783 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000531939580 334298965 /nfs/dbraw/zinc/29/89/65/334298965.db2.gz MWHNFZCCYUPBRV-SFHVURJKSA-N 2 0 318.505 3.963 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531956310 334307943 /nfs/dbraw/zinc/30/79/43/334307943.db2.gz UYSMBANTPQVTQH-SOLBZPMBSA-N 2 0 304.478 3.856 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CCCC[NH+](C)C)c(C)c2c1 ZINC000531962763 334320685 /nfs/dbraw/zinc/32/06/85/334320685.db2.gz LATSDQLPPJEHTM-CQSZACIVSA-N 2 0 304.434 3.742 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CCCC[NH+](C)C)c(C)c2c1 ZINC000531962762 334320692 /nfs/dbraw/zinc/32/06/92/334320692.db2.gz LATSDQLPPJEHTM-AWEZNQCLSA-N 2 0 304.434 3.742 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000049553523 334349917 /nfs/dbraw/zinc/34/99/17/334349917.db2.gz MXSGBQKARIAXGG-NWDGAFQWSA-N 2 0 304.356 3.576 20 0 DHADRP CSC1(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC[NH+](C)CC1 ZINC000353658303 334427609 /nfs/dbraw/zinc/42/76/09/334427609.db2.gz KZXJTVXCBZANKZ-ZDUSSCGKSA-N 2 0 320.493 3.617 20 0 DHADRP C(C[NH+]1CCCC1)OC1CC[NH+](CCC2CCCCC2)CC1 ZINC000342681617 334560523 /nfs/dbraw/zinc/56/05/23/334560523.db2.gz WSNBAEGPSKAUKI-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344115425 335218402 /nfs/dbraw/zinc/21/84/02/335218402.db2.gz XJPPICXVJJGWJC-DNVCBOLYSA-N 2 0 304.453 3.913 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000344298545 335238252 /nfs/dbraw/zinc/23/82/52/335238252.db2.gz BVHFXOVMIBMMIY-GOSISDBHSA-N 2 0 304.865 3.959 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CCCO2 ZINC000344308444 335239506 /nfs/dbraw/zinc/23/95/06/335239506.db2.gz YODXVVJMHXCXBJ-QGZVFWFLSA-N 2 0 320.864 3.714 20 0 DHADRP c1cn(-c2csc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)c2)cn1 ZINC000344357256 335244051 /nfs/dbraw/zinc/24/40/51/335244051.db2.gz NIOWGVNVXSRJCK-CQSZACIVSA-N 2 0 317.458 3.515 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000346129850 335379398 /nfs/dbraw/zinc/37/93/98/335379398.db2.gz IBPOGWSVDLQEIR-AWEZNQCLSA-N 2 0 312.442 3.830 20 0 DHADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000346166955 335384392 /nfs/dbraw/zinc/38/43/92/335384392.db2.gz JGVXVFWCNQMAAP-UHFFFAOYSA-N 2 0 306.413 3.598 20 0 DHADRP FC(F)(F)C1=CC[N@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346230465 335386466 /nfs/dbraw/zinc/38/64/66/335386466.db2.gz WGBPCIRLBKRWTK-UHFFFAOYSA-N 2 0 313.348 3.628 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000346464447 335409904 /nfs/dbraw/zinc/40/99/04/335409904.db2.gz QEEQVUMGPDLWRA-XLIONFOSSA-N 2 0 316.489 3.576 20 0 DHADRP COC1CC([NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000347214257 335480355 /nfs/dbraw/zinc/48/03/55/335480355.db2.gz XEGQOKDOIGQNAQ-UHFFFAOYSA-N 2 0 324.468 3.682 20 0 DHADRP c1ccc2c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)ccnc2c1 ZINC000535780710 335764712 /nfs/dbraw/zinc/76/47/12/335764712.db2.gz RVGNKCJXMGXSBW-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000519717262 335890148 /nfs/dbraw/zinc/89/01/48/335890148.db2.gz WWGMJCIGBSWZJJ-ZACQAIPSSA-N 2 0 300.471 3.891 20 0 DHADRP CCOc1ccccc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520205011 335938600 /nfs/dbraw/zinc/93/86/00/335938600.db2.gz OVLHZXXIRDNMDN-QZTJIDSGSA-N 2 0 318.505 3.933 20 0 DHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000520632431 335997810 /nfs/dbraw/zinc/99/78/10/335997810.db2.gz VLWSRIRBODVYOT-MOPGFXCFSA-N 2 0 318.505 3.584 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000351470545 336036299 /nfs/dbraw/zinc/03/62/99/336036299.db2.gz CWMKJRXGYHIDOU-LJQANCHMSA-N 2 0 303.494 3.621 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000333342014 336202090 /nfs/dbraw/zinc/20/20/90/336202090.db2.gz YHTIGSRUVJJYOR-OWSLCNJRSA-N 2 0 301.478 3.523 20 0 DHADRP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352437630 336218617 /nfs/dbraw/zinc/21/86/17/336218617.db2.gz CZOCHDGIDBYXGB-QMMLZNLJSA-N 2 0 321.468 3.597 20 0 DHADRP C[C@H](c1ccccn1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352441074 336218974 /nfs/dbraw/zinc/21/89/74/336218974.db2.gz SIWPYNRYUXRVHE-RLLQIKCJSA-N 2 0 321.468 3.597 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCOc2ccccc2)C[C@@H]1C ZINC000526123919 336220406 /nfs/dbraw/zinc/22/04/06/336220406.db2.gz HJWIPGMQUBJOJF-ZWKOTPCHSA-N 2 0 304.478 3.650 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000352503778 336222085 /nfs/dbraw/zinc/22/20/85/336222085.db2.gz JYSYRZDDNNXTBE-KRWDZBQOSA-N 2 0 311.429 3.577 20 0 DHADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000352503779 336222120 /nfs/dbraw/zinc/22/21/20/336222120.db2.gz JYSYRZDDNNXTBE-QGZVFWFLSA-N 2 0 311.429 3.577 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000352555989 336224409 /nfs/dbraw/zinc/22/44/09/336224409.db2.gz UKQSNMFKVVXSLY-QGZVFWFLSA-N 2 0 307.457 3.774 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc3occc3c2)cc1F ZINC000352786016 336236556 /nfs/dbraw/zinc/23/65/56/336236556.db2.gz IGRXNNUWXPIABY-UHFFFAOYSA-N 2 0 312.388 3.923 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000532454268 336248242 /nfs/dbraw/zinc/24/82/42/336248242.db2.gz DNAKFJBSJHFYOJ-HXUWFJFHSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000532450890 336249937 /nfs/dbraw/zinc/24/99/37/336249937.db2.gz JNMFITAGHMOPRQ-UZLBHIALSA-N 2 0 312.457 3.631 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CCCC1 ZINC000532487293 336251775 /nfs/dbraw/zinc/25/17/75/336251775.db2.gz UIVNVNACINCOHH-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000580363605 336260249 /nfs/dbraw/zinc/26/02/49/336260249.db2.gz GFRXXENDZVMQMS-GUDVDZBRSA-N 2 0 315.505 3.736 20 0 DHADRP CSc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000352829256 336267214 /nfs/dbraw/zinc/26/72/14/336267214.db2.gz GDEOHBUWJGVKCB-UHFFFAOYSA-N 2 0 324.490 3.961 20 0 DHADRP Fc1ccc([C@H]2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000526992354 336278189 /nfs/dbraw/zinc/27/81/89/336278189.db2.gz QEDLGUYAPRXRTK-PXNSSMCTSA-N 2 0 316.464 3.926 20 0 DHADRP CCc1nocc1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000352855780 336280899 /nfs/dbraw/zinc/28/08/99/336280899.db2.gz ZWYSFSFLLBCPOI-UHFFFAOYSA-N 2 0 307.482 3.571 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192921345 336284289 /nfs/dbraw/zinc/28/42/89/336284289.db2.gz QKZMUEKPUMEHSO-IEBWSBKVSA-N 2 0 312.457 3.712 20 0 DHADRP c1cc2c(cccc2C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000192932586 336285157 /nfs/dbraw/zinc/28/51/57/336285157.db2.gz KZKMNJVVKHCCRJ-GOSISDBHSA-N 2 0 319.452 3.780 20 0 DHADRP c1ccc(C(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000192947210 336285658 /nfs/dbraw/zinc/28/56/58/336285658.db2.gz BEEGBAAWSOZHLS-GOSISDBHSA-N 2 0 320.480 3.892 20 0 DHADRP Cc1ccnc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000301664686 336321704 /nfs/dbraw/zinc/32/17/04/336321704.db2.gz VZMPWIMAHJRIFF-PBHICJAKSA-N 2 0 301.459 3.947 20 0 DHADRP CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C1 ZINC000301688199 336323464 /nfs/dbraw/zinc/32/34/64/336323464.db2.gz VLJLGUMIBKGWSB-OAHLLOKOSA-N 2 0 301.409 3.603 20 0 DHADRP CCc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000301775040 336329080 /nfs/dbraw/zinc/32/90/80/336329080.db2.gz GCHLEJIBQQGHHE-BEFAXECRSA-N 2 0 309.457 3.718 20 0 DHADRP Cc1cc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc[nH+]1 ZINC000302367632 336357646 /nfs/dbraw/zinc/35/76/46/336357646.db2.gz BJNOONKWOHEWEZ-KRWDZBQOSA-N 2 0 301.478 3.871 20 0 DHADRP CN1CC[C@H](Nc2ccncc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000302802385 336369901 /nfs/dbraw/zinc/36/99/01/336369901.db2.gz DACPTYZTCCQVGM-HOTGVXAUSA-N 2 0 323.774 3.871 20 0 DHADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000353024285 336380407 /nfs/dbraw/zinc/38/04/07/336380407.db2.gz ZQRMRXHCFUZHSE-YJBOKZPZSA-N 2 0 304.503 3.514 20 0 DHADRP c1c2ccccc2oc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000514586246 336384072 /nfs/dbraw/zinc/38/40/72/336384072.db2.gz QAAWBFOEABKVJJ-UHFFFAOYSA-N 2 0 307.397 3.586 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000571679555 336394979 /nfs/dbraw/zinc/39/49/79/336394979.db2.gz SUZGGTUBJHPWPW-INIZCTEOSA-N 2 0 320.452 3.533 20 0 DHADRP CSC1(C[NH2+][C@H]2CCCc3sccc32)CC[NH+](C)CC1 ZINC000353639226 336430887 /nfs/dbraw/zinc/43/08/87/336430887.db2.gz CSZWSCDGWWNXDI-AWEZNQCLSA-N 2 0 310.532 3.543 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC[NH+](C)CC1 ZINC000353663283 336432770 /nfs/dbraw/zinc/43/27/70/336432770.db2.gz UIZGXFWBKSDYEW-OAHLLOKOSA-N 2 0 322.518 3.710 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000355782969 336522123 /nfs/dbraw/zinc/52/21/23/336522123.db2.gz YCHVIOKKVPPZQW-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP CSC1(CNc2cc[nH+]c3cc(F)ccc23)CC[NH+](C)CC1 ZINC000357572391 336591120 /nfs/dbraw/zinc/59/11/20/336591120.db2.gz UUJCABJUQFYKTH-UHFFFAOYSA-N 2 0 319.449 3.613 20 0 DHADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000357787071 336598403 /nfs/dbraw/zinc/59/84/03/336598403.db2.gz YQUFMRIXZWJSLJ-AEFFLSMTSA-N 2 0 304.478 3.776 20 0 DHADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000304950018 337008378 /nfs/dbraw/zinc/00/83/78/337008378.db2.gz GDZXOBLDHMHHSG-IOMROCGXSA-N 2 0 324.468 3.535 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC(C)(C)O2)[C@H]1c1ccccc1 ZINC000375453118 337011376 /nfs/dbraw/zinc/01/13/76/337011376.db2.gz BELTXDDNWDJCHT-GUDVDZBRSA-N 2 0 316.489 3.617 20 0 DHADRP Cc1cc(N2CCC[C@H](c3nccn3C)C2)c2cc(F)ccc2[nH+]1 ZINC000375947749 337024099 /nfs/dbraw/zinc/02/40/99/337024099.db2.gz MIZRWRRLOFUCEU-AWEZNQCLSA-N 2 0 324.403 3.800 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000377586688 337055588 /nfs/dbraw/zinc/05/55/88/337055588.db2.gz YRSZEUJYLPMOBH-RTBURBONSA-N 2 0 316.489 3.759 20 0 DHADRP Cc1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000377690472 337058653 /nfs/dbraw/zinc/05/86/53/337058653.db2.gz COLISIOBQLTWJP-UHFFFAOYSA-N 2 0 301.459 3.552 20 0 DHADRP Cc1cc([C@@H](C)NC2CC[NH+](Cc3cccc(C)c3)CC2)no1 ZINC000377822025 337061963 /nfs/dbraw/zinc/06/19/63/337061963.db2.gz UWSDYUUMRBZFGK-MRXNPFEDSA-N 2 0 313.445 3.607 20 0 DHADRP Cc1nc([C@H](C)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cs1 ZINC000378513559 337074842 /nfs/dbraw/zinc/07/48/42/337074842.db2.gz BUIOZXWEFATREF-FDQGKXFDSA-N 2 0 315.486 3.795 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217514696 337079506 /nfs/dbraw/zinc/07/95/06/337079506.db2.gz NDCFVIAZHMDCFT-SWLSCSKDSA-N 2 0 311.267 3.571 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000193803796 337080255 /nfs/dbraw/zinc/08/02/55/337080255.db2.gz OCGRITVLCONGRH-DOTOQJQBSA-N 2 0 310.551 3.905 20 0 DHADRP c1csc(CCC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000360056297 337084528 /nfs/dbraw/zinc/08/45/28/337084528.db2.gz GJJWSLMQNNGWMQ-UHFFFAOYSA-N 2 0 321.534 3.710 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000582551441 337104216 /nfs/dbraw/zinc/10/42/16/337104216.db2.gz TYBMBEXXWAHKDJ-HXUWFJFHSA-N 2 0 309.457 3.774 20 0 DHADRP CC(C)c1nccc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000172809409 337131190 /nfs/dbraw/zinc/13/11/90/337131190.db2.gz YDJJGKKZBZXDHT-GOSISDBHSA-N 2 0 324.472 3.558 20 0 DHADRP CSCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000173490744 337135555 /nfs/dbraw/zinc/13/55/55/337135555.db2.gz GCMQVIHFBUCWDM-WMZOPIPTSA-N 2 0 306.519 3.724 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000181517957 337182775 /nfs/dbraw/zinc/18/27/75/337182775.db2.gz YGWIPRCGXGDBPH-XJKSGUPXSA-N 2 0 309.523 3.779 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000182748756 337189602 /nfs/dbraw/zinc/18/96/02/337189602.db2.gz STOKZRLUEFHKBH-UHFFFAOYSA-N 2 0 309.523 3.786 20 0 DHADRP C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000469807424 337192049 /nfs/dbraw/zinc/19/20/49/337192049.db2.gz HWTPTDJLMHBUOW-HOTGVXAUSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H](c1cnccn1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000184621331 337199474 /nfs/dbraw/zinc/19/94/74/337199474.db2.gz NDXSJZGJIDDWBS-SJORKVTESA-N 2 0 316.493 3.514 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000582938475 337219882 /nfs/dbraw/zinc/21/98/82/337219882.db2.gz VVEJVJKMYZGQMV-INIZCTEOSA-N 2 0 324.896 3.773 20 0 DHADRP CC(C)CSCCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000582978629 337222340 /nfs/dbraw/zinc/22/23/40/337222340.db2.gz OAYIDMQMVZJPPV-ZWKOTPCHSA-N 2 0 306.519 3.801 20 0 DHADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000583018690 337225489 /nfs/dbraw/zinc/22/54/89/337225489.db2.gz CLHKIUVGWXQGAB-LJQANCHMSA-N 2 0 304.478 3.762 20 0 DHADRP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000583172034 337252081 /nfs/dbraw/zinc/25/20/81/337252081.db2.gz QQJGKROWNJJTBK-HXUWFJFHSA-N 2 0 315.505 3.709 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000186688109 337258539 /nfs/dbraw/zinc/25/85/39/337258539.db2.gz GKWYXKVUBZCDEG-UHFFFAOYSA-N 2 0 303.494 3.642 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CCSCC1 ZINC000186949626 337260623 /nfs/dbraw/zinc/26/06/23/337260623.db2.gz LWQVOXBWETVBTN-INIZCTEOSA-N 2 0 318.530 3.904 20 0 DHADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000186949283 337260664 /nfs/dbraw/zinc/26/06/64/337260664.db2.gz HWGKLTRWONVFPF-MRXNPFEDSA-N 2 0 306.519 3.630 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccsc1 ZINC000187726645 337269592 /nfs/dbraw/zinc/26/95/92/337269592.db2.gz BQWDWQFQVJMPTH-YJBOKZPZSA-N 2 0 322.518 3.680 20 0 DHADRP CC(C)OC1CC([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000189540153 337280208 /nfs/dbraw/zinc/28/02/08/337280208.db2.gz UAOHKHKYGAEBOU-USSHROBNSA-N 2 0 322.518 3.677 20 0 DHADRP c1ccc(C[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000321644159 337281118 /nfs/dbraw/zinc/28/11/18/337281118.db2.gz WUUXIQOSNUPDBQ-TZIWHRDSSA-N 2 0 306.453 3.797 20 0 DHADRP CC[C@@H](NCCC[NH+](CC)CC)c1nc(C(F)(F)F)cs1 ZINC000189932758 337283898 /nfs/dbraw/zinc/28/38/98/337283898.db2.gz OYOODNGVOPRLCB-LLVKDONJSA-N 2 0 323.428 3.935 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1nc(-c2ccccc2)cs1 ZINC000583290379 337307288 /nfs/dbraw/zinc/30/72/88/337307288.db2.gz UDZHZPZCPDVQAM-RHSMWYFYSA-N 2 0 315.486 3.582 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1)CC(C)C ZINC000583756343 337330278 /nfs/dbraw/zinc/33/02/78/337330278.db2.gz ZQDBKUFJPXGJLJ-VQTJNVASSA-N 2 0 324.553 3.618 20 0 DHADRP C[N@H+](CCC[NH2+][C@H]1CCCc2ccc(O)cc21)Cc1ccccc1 ZINC000310049220 337388431 /nfs/dbraw/zinc/38/84/31/337388431.db2.gz KQOBNMNJGPPEOG-NRFANRHFSA-N 2 0 324.468 3.881 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000123682315 337400479 /nfs/dbraw/zinc/40/04/79/337400479.db2.gz HLYFLUGTWVAOSK-QGZVFWFLSA-N 2 0 300.471 3.977 20 0 DHADRP C[NH2+]C[C@H]1CCCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)C1 ZINC000420125369 337496013 /nfs/dbraw/zinc/49/60/13/337496013.db2.gz PPLFGOHDOGFSDO-CQSZACIVSA-N 2 0 317.864 3.941 20 0 DHADRP Cc1ccc(C)c(OC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420300566 337498913 /nfs/dbraw/zinc/49/89/13/337498913.db2.gz IBIIDTYRZWRNTL-SFHVURJKSA-N 2 0 316.489 3.536 20 0 DHADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000420374586 337500236 /nfs/dbraw/zinc/50/02/36/337500236.db2.gz ODZRTADXTBFGFQ-HNNXBMFYSA-N 2 0 312.404 3.718 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420391903 337500459 /nfs/dbraw/zinc/50/04/59/337500459.db2.gz BFWXDWRINWZFFA-WBMJQRKESA-N 2 0 312.379 3.746 20 0 DHADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247934393 337561750 /nfs/dbraw/zinc/56/17/50/337561750.db2.gz CIMQDZYADWKEJF-HNBVOPMISA-N 2 0 322.537 3.538 20 0 DHADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162541130 337635286 /nfs/dbraw/zinc/63/52/86/337635286.db2.gz NLGGWSUUHFJJHA-OAQYLSRUSA-N 2 0 324.468 3.713 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(Br)cc1 ZINC000574989856 337669379 /nfs/dbraw/zinc/66/93/79/337669379.db2.gz XFPSUAVDBCUFMN-LBPRGKRZSA-N 2 0 319.246 3.759 20 0 DHADRP Cc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C1CC1 ZINC000422712382 337683745 /nfs/dbraw/zinc/68/37/45/337683745.db2.gz NXVJDAKOIATQAE-QRWLVFNGSA-N 2 0 309.457 3.959 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422728505 337684376 /nfs/dbraw/zinc/68/43/76/337684376.db2.gz JEJCLDDXAGFJER-GFCCVEGCSA-N 2 0 300.849 3.864 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422737461 337684602 /nfs/dbraw/zinc/68/46/02/337684602.db2.gz IHPJMTSJSBFFDD-GOSISDBHSA-N 3 0 317.521 3.526 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422739952 337684734 /nfs/dbraw/zinc/68/47/34/337684734.db2.gz AWEZKFFLFTYVMU-QKYXUNIQSA-N 2 0 308.425 3.593 20 0 DHADRP Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422749180 337685014 /nfs/dbraw/zinc/68/50/14/337685014.db2.gz XXEFDZYXNWEBGC-MAUKXSAKSA-N 2 0 312.461 3.600 20 0 DHADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)cc1F ZINC000422759893 337685366 /nfs/dbraw/zinc/68/53/66/337685366.db2.gz KJVCIQCFHZTMMK-XIKOKIGWSA-N 2 0 319.399 3.929 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779379 337686125 /nfs/dbraw/zinc/68/61/25/337686125.db2.gz IKPKDDNRGXQPCK-OTWHNJEPSA-N 2 0 311.473 3.529 20 0 DHADRP COc1cc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)ccc1OC(C)C ZINC000422803022 337687407 /nfs/dbraw/zinc/68/74/07/337687407.db2.gz CGTVJEIIEFEPRJ-UQPPLGOBSA-N 2 0 320.477 3.651 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000422805588 337687538 /nfs/dbraw/zinc/68/75/38/337687538.db2.gz MELGZTDGPRBYAN-XIKARTHZSA-N 2 0 300.368 3.874 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422810828 337687594 /nfs/dbraw/zinc/68/75/94/337687594.db2.gz NYLBKXKGXLLWNA-XNRPHZJLSA-N 2 0 314.395 3.916 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000422825782 337688234 /nfs/dbraw/zinc/68/82/34/337688234.db2.gz KHNZRIKRMPRDRL-MKTAYPAQSA-N 2 0 324.415 3.773 20 0 DHADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000422825202 337688237 /nfs/dbraw/zinc/68/82/37/337688237.db2.gz PGPQRHXUJXSHNP-WOJBJXKFSA-N 2 0 313.489 3.518 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000422829483 337688315 /nfs/dbraw/zinc/68/83/15/337688315.db2.gz UOZQHADECHXTBL-RDTXWAMCSA-N 2 0 316.470 3.641 20 0 DHADRP CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422840524 337688597 /nfs/dbraw/zinc/68/85/97/337688597.db2.gz TWCHLABJPRDURB-SGMGOOAPSA-N 2 0 318.383 3.578 20 0 DHADRP Fc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCCC2)c1 ZINC000422874111 337689544 /nfs/dbraw/zinc/68/95/44/337689544.db2.gz MXVYBUMDLABGAN-ZZJWQFMZSA-N 2 0 302.437 3.930 20 0 DHADRP CC1(C)CCCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422873694 337689555 /nfs/dbraw/zinc/68/95/55/337689555.db2.gz LTIRLZNOAGQNKJ-QRFRQXIXSA-N 2 0 314.473 3.801 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422878154 337689673 /nfs/dbraw/zinc/68/96/73/337689673.db2.gz SODJJZTWIZRBRM-GBESFXJTSA-N 2 0 316.489 3.793 20 0 DHADRP CCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422891038 337690307 /nfs/dbraw/zinc/69/03/07/337690307.db2.gz ULNFEFUIACAEDK-PXNSSMCTSA-N 2 0 314.473 3.802 20 0 DHADRP c1ccc(SC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)cc1 ZINC000422906352 337690728 /nfs/dbraw/zinc/69/07/28/337690728.db2.gz JSDXHKYYFQIHFR-SJPCQFCGSA-N 2 0 316.514 3.964 20 0 DHADRP CC[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1cccc(Cl)c1 ZINC000422929918 337691951 /nfs/dbraw/zinc/69/19/51/337691951.db2.gz RWOIPFAMCDMNNG-BCLQGDPASA-N 2 0 310.869 3.605 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@H](C)CCC[NH3+])c2ccccc2)cc1 ZINC000422940140 337692724 /nfs/dbraw/zinc/69/27/24/337692724.db2.gz ISWOURBLMXNOLH-OXQOHEQNSA-N 2 0 312.457 3.892 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000422953242 337694635 /nfs/dbraw/zinc/69/46/35/337694635.db2.gz FAKATSQYEUEJTQ-PPUFBPAQSA-N 2 0 323.278 3.544 20 0 DHADRP c1ccc(-c2cccc3c2OCC[C@@H]3[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422954143 337694704 /nfs/dbraw/zinc/69/47/04/337694704.db2.gz HPBPTIQGFOKQAK-PXNSSMCTSA-N 2 0 322.452 3.909 20 0 DHADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423026065 337696221 /nfs/dbraw/zinc/69/62/21/337696221.db2.gz MXXJGFYMWDQKPL-HSALFYBXSA-N 2 0 315.505 3.779 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000423049458 337697111 /nfs/dbraw/zinc/69/71/11/337697111.db2.gz XRJUDVOOCLPCRJ-XZJROXQQSA-N 2 0 312.379 3.539 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423053773 337697373 /nfs/dbraw/zinc/69/73/73/337697373.db2.gz SXEZRECQLMKAOZ-HUUCEWRRSA-N 2 0 316.420 3.620 20 0 DHADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423092132 337698980 /nfs/dbraw/zinc/69/89/80/337698980.db2.gz ARRDMUDZFPJTAI-DQIJQRSUSA-N 2 0 316.464 3.972 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423101726 337699636 /nfs/dbraw/zinc/69/96/36/337699636.db2.gz IYUXNUBYXTZVRA-XHDPSFHLSA-N 2 0 316.367 3.753 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423105706 337699720 /nfs/dbraw/zinc/69/97/20/337699720.db2.gz ZJSDTNMYZHBOLL-DABHTEOTSA-N 2 0 316.464 3.972 20 0 DHADRP Fc1ccc(C2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Cl ZINC000423106902 337699729 /nfs/dbraw/zinc/69/97/29/337699729.db2.gz RPRHSMIHFMPAGB-OTHKPKEBSA-N 2 0 308.828 3.598 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423109400 337699977 /nfs/dbraw/zinc/69/99/77/337699977.db2.gz SJFSGPPTMJWYGX-QWRGUYRKSA-N 2 0 309.866 3.679 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423122262 337700480 /nfs/dbraw/zinc/70/04/80/337700480.db2.gz BZFXNFAZEOEAGK-XFUTXVRSSA-N 2 0 302.437 3.582 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000423164203 337702107 /nfs/dbraw/zinc/70/21/07/337702107.db2.gz SIDQYCPQSLBYER-KANFNMMFSA-N 2 0 316.489 3.842 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423167910 337702242 /nfs/dbraw/zinc/70/22/42/337702242.db2.gz GASDMLGKOMOEOP-JSNMRZPZSA-N 2 0 323.484 3.939 20 0 DHADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423166476 337702251 /nfs/dbraw/zinc/70/22/51/337702251.db2.gz ZIAIXRHRPXPMMN-HBXLWWENSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423204396 337703823 /nfs/dbraw/zinc/70/38/23/337703823.db2.gz AMXFHEIFAKFIEO-MQLXINIDSA-N 2 0 312.910 3.871 20 0 DHADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423205227 337703916 /nfs/dbraw/zinc/70/39/16/337703916.db2.gz DYZHIOATUFXDAY-SJORKVTESA-N 2 0 304.478 3.762 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423212429 337704404 /nfs/dbraw/zinc/70/44/04/337704404.db2.gz LVXONLKTKFJZJL-KYJSFNMBSA-N 2 0 306.881 3.955 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423210916 337704428 /nfs/dbraw/zinc/70/44/28/337704428.db2.gz GRXSZQQSQBFSTN-FENNVVPDSA-N 2 0 316.489 3.822 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423212480 337704447 /nfs/dbraw/zinc/70/44/47/337704447.db2.gz LZPVFCRNLOTAQY-HOTGVXAUSA-N 2 0 313.489 3.813 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246059 337707018 /nfs/dbraw/zinc/70/70/18/337707018.db2.gz JTEJUFTVOZRBHB-ZFWWWQNUSA-N 2 0 312.910 3.800 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423251364 337707383 /nfs/dbraw/zinc/70/73/83/337707383.db2.gz RWEQRGWRZCGXMC-WIYYLYMNSA-N 2 0 324.468 3.568 20 0 DHADRP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254838 337707683 /nfs/dbraw/zinc/70/76/83/337707683.db2.gz ZRVZVDUMSWISAL-BBRMVZONSA-N 2 0 300.471 3.868 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423255512 337707688 /nfs/dbraw/zinc/70/76/88/337707688.db2.gz AHCKLZHUWYPQQN-KYJSFNMBSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423256764 337707740 /nfs/dbraw/zinc/70/77/40/337707740.db2.gz FXHWPJCTBZIXKJ-DOTOQJQBSA-N 2 0 304.503 3.820 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCS2 ZINC000423261017 337707868 /nfs/dbraw/zinc/70/78/68/337707868.db2.gz RHEMZYBOMVNJCC-DOMZBBRYSA-N 2 0 310.894 3.856 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423261019 337707909 /nfs/dbraw/zinc/70/79/09/337707909.db2.gz RHEMZYBOMVNJCC-SWLSCSKDSA-N 2 0 310.894 3.856 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000423263616 337707956 /nfs/dbraw/zinc/70/79/56/337707956.db2.gz BEMZEISXKCRWQH-HBNTYKKESA-N 2 0 317.296 3.679 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423264799 337708260 /nfs/dbraw/zinc/70/82/60/337708260.db2.gz ZCGBXBCTKQASHH-HOTGVXAUSA-N 2 0 312.457 3.889 20 0 DHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cnn1C(C)(C)C ZINC000423291923 337710105 /nfs/dbraw/zinc/71/01/05/337710105.db2.gz KOMXEMSRORBBNI-ZIAGYGMSSA-N 2 0 314.477 3.817 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423293599 337710570 /nfs/dbraw/zinc/71/05/70/337710570.db2.gz AGJAAGPUBDTDOH-OLZOCXBDSA-N 2 0 303.475 3.672 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423303965 337711336 /nfs/dbraw/zinc/71/13/36/337711336.db2.gz XVEIJPFUFIRWSF-IAGOWNOFSA-N 2 0 304.478 3.537 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH3+])c1ccc(Br)cc1Cl ZINC000423315507 337711706 /nfs/dbraw/zinc/71/17/06/337711706.db2.gz AVEPIXMNTBQKJB-CYBMUJFWSA-N 2 0 319.674 3.882 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423321502 337711850 /nfs/dbraw/zinc/71/18/50/337711850.db2.gz GFUUOVPLCFQWSM-INIZCTEOSA-N 2 0 304.478 3.762 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCS2 ZINC000423351615 337713486 /nfs/dbraw/zinc/71/34/86/337713486.db2.gz ZJEQUZLDHFTRGJ-WMZOPIPTSA-N 2 0 304.503 3.820 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1OC(F)F ZINC000423358530 337714188 /nfs/dbraw/zinc/71/41/88/337714188.db2.gz NUPABCSIVJSGCN-GFCCVEGCSA-N 2 0 318.367 3.742 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423362646 337714544 /nfs/dbraw/zinc/71/45/44/337714544.db2.gz BJTIYCJHKZRSIJ-WCZJQEMASA-N 2 0 306.881 3.639 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000423366280 337714846 /nfs/dbraw/zinc/71/48/46/337714846.db2.gz CJRLDJJKPNIIMW-MBGYTDRXSA-N 2 0 320.452 3.591 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423401485 337715736 /nfs/dbraw/zinc/71/57/36/337715736.db2.gz QXJQZXGSMZYPSA-UWIFEVILSA-N 2 0 306.881 3.954 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424167 337717006 /nfs/dbraw/zinc/71/70/06/337717006.db2.gz MQQYCXUXBQVMAA-BPLDGKMQSA-N 2 0 309.523 3.991 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427062 337717070 /nfs/dbraw/zinc/71/70/70/337717070.db2.gz FOWIGBBJHWEDAR-YESZJQIVSA-N 2 0 320.864 3.531 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423376998 337717345 /nfs/dbraw/zinc/71/73/45/337717345.db2.gz VLBQGPMTXLSFLM-SBHAEUEKSA-N 2 0 324.468 3.839 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000423382855 337717589 /nfs/dbraw/zinc/71/75/89/337717589.db2.gz OSZCVBNHOIJISC-SIUPPRGNSA-N 2 0 306.881 3.781 20 0 DHADRP COCC1(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)CC[NH2+]CC1 ZINC000423389871 337718191 /nfs/dbraw/zinc/71/81/91/337718191.db2.gz LYRHEEZODRFCCZ-KRWDZBQOSA-N 2 0 318.505 3.552 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423392197 337718308 /nfs/dbraw/zinc/71/83/08/337718308.db2.gz LJFBFAIUQXBACM-ZOBUZTSGSA-N 2 0 320.477 3.523 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000423394346 337718611 /nfs/dbraw/zinc/71/86/11/337718611.db2.gz RHWSDQWIEJACEX-QJPTWQEYSA-N 2 0 302.340 3.506 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423433127 337718855 /nfs/dbraw/zinc/71/88/55/337718855.db2.gz WQEPUTRSKMBJLZ-YVSFHVDLSA-N 2 0 304.478 3.542 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C(C)C)cc1 ZINC000423436082 337719069 /nfs/dbraw/zinc/71/90/69/337719069.db2.gz ZGMWMGRCIQNGBO-GPMSIDNRSA-N 2 0 304.478 3.747 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1-c1cc(C)ccc1C ZINC000423455084 337720317 /nfs/dbraw/zinc/72/03/17/337720317.db2.gz MDWYNTJFVDUGJM-CVEARBPZSA-N 2 0 314.477 3.576 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000423459302 337720496 /nfs/dbraw/zinc/72/04/96/337720496.db2.gz LJFZZGLTBABIAA-RWMBFGLXSA-N 2 0 300.368 3.874 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423468140 337720897 /nfs/dbraw/zinc/72/08/97/337720897.db2.gz JLGZHVRROVFLIT-XYJFISCASA-N 2 0 302.462 3.624 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423469578 337721004 /nfs/dbraw/zinc/72/10/04/337721004.db2.gz CPCAJOFZNYDQOO-RDTXWAMCSA-N 2 0 302.462 3.539 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473350 337721324 /nfs/dbraw/zinc/72/13/24/337721324.db2.gz YEIMJWVGCLJBBH-OHDUNHEQSA-N 2 0 304.865 3.897 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423474239 337721411 /nfs/dbraw/zinc/72/14/11/337721411.db2.gz YYYDNCAOGYBSDG-IHRRRGAJSA-N 2 0 312.404 3.765 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423474277 337721471 /nfs/dbraw/zinc/72/14/71/337721471.db2.gz ZCIYTFPHLBIZCB-DLLQETOTSA-N 2 0 318.892 3.767 20 0 DHADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423490673 337722449 /nfs/dbraw/zinc/72/24/49/337722449.db2.gz XYBMMVUFKAYQLH-HIFRSBDPSA-N 2 0 312.404 3.861 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423491043 337722716 /nfs/dbraw/zinc/72/27/16/337722716.db2.gz IYKMPSZNSTYUOG-NWANDNLSSA-N 2 0 312.910 3.928 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000423493243 337722728 /nfs/dbraw/zinc/72/27/28/337722728.db2.gz PSDACKWUYUTGMJ-DNMXQMFDSA-N 2 0 320.452 3.578 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423493917 337722809 /nfs/dbraw/zinc/72/28/09/337722809.db2.gz RIYDWAAHZITDIV-XPKDYRNWSA-N 2 0 308.853 3.579 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423497310 337722978 /nfs/dbraw/zinc/72/29/78/337722978.db2.gz YRRXJKGLBMOXDN-AYBZRNKSSA-N 2 0 304.478 3.890 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000423496202 337722995 /nfs/dbraw/zinc/72/29/95/337722995.db2.gz FZJQJTMGUHSKAB-YNEHKIRRSA-N 2 0 319.449 3.727 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)sc1Br ZINC000423506104 337723672 /nfs/dbraw/zinc/72/36/72/337723672.db2.gz MDMVMLFPYYQLHW-HBNTYKKESA-N 2 0 317.296 3.597 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423506389 337723674 /nfs/dbraw/zinc/72/36/74/337723674.db2.gz IPZMRMNGMMZKJQ-AHRSYUTCSA-N 2 0 312.457 3.832 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)c2cccc(F)c2)c1 ZINC000423509260 337723776 /nfs/dbraw/zinc/72/37/76/337723776.db2.gz ONLYJGMTPNWWGE-BEVDRBHNSA-N 2 0 312.432 3.941 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)C2CC3CC(C2)CC1C3 ZINC000423531761 337724571 /nfs/dbraw/zinc/72/45/71/337724571.db2.gz UAXGQBOMRDVJBS-PRLDQDABSA-N 2 0 308.485 3.648 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000423533503 337724694 /nfs/dbraw/zinc/72/46/94/337724694.db2.gz XQNYKQKUZFDQMN-FUHWJXTLSA-N 2 0 320.452 3.592 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C(C)C)cc1 ZINC000423537187 337724975 /nfs/dbraw/zinc/72/49/75/337724975.db2.gz CBQXLSFGMQVKHH-NMLBUPMWSA-N 2 0 300.490 3.540 20 0 DHADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423538555 337725101 /nfs/dbraw/zinc/72/51/01/337725101.db2.gz NBWHKONVHDCDOC-MSOLQXFVSA-N 2 0 304.865 3.876 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538360 337725135 /nfs/dbraw/zinc/72/51/35/337725135.db2.gz MMGFRFWBBIAERA-FUHWJXTLSA-N 2 0 304.865 3.876 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537797 337725153 /nfs/dbraw/zinc/72/51/53/337725153.db2.gz LAHPPVRLVKQURR-GOSISDBHSA-N 2 0 304.503 3.703 20 0 DHADRP Clc1ccc([C@H]2CC[C@H]([NH2+]CCC3=CC[NH2+]CC3)C2)cc1 ZINC000423546057 337725354 /nfs/dbraw/zinc/72/53/54/337725354.db2.gz YJWUGNFYJVFNNR-WMZOPIPTSA-N 2 0 304.865 3.876 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)c1 ZINC000423571905 337725660 /nfs/dbraw/zinc/72/56/60/337725660.db2.gz XYIMNGRHBVTRRY-MRXNPFEDSA-N 2 0 312.379 3.888 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527693872 337760422 /nfs/dbraw/zinc/76/04/22/337760422.db2.gz YKFGJUFBRLCEPM-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000119936644 337867349 /nfs/dbraw/zinc/86/73/49/337867349.db2.gz YWDXDGCTITYMIB-UHFFFAOYSA-N 2 0 316.489 3.610 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000121986736 337904961 /nfs/dbraw/zinc/90/49/61/337904961.db2.gz TZQZFAYIXQYOFQ-XYJFISCASA-N 2 0 310.526 3.823 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[NH+]1CCCC1 ZINC000537295935 337929052 /nfs/dbraw/zinc/92/90/52/337929052.db2.gz OENSEHFYIABTFM-FCGDIQPGSA-N 2 0 322.537 3.680 20 0 DHADRP Fc1ccc(CC[NH2+]CCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000516266521 338009255 /nfs/dbraw/zinc/00/92/55/338009255.db2.gz OOFGLNKPXITWKI-UHFFFAOYSA-N 2 0 312.860 3.877 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000426303281 338025676 /nfs/dbraw/zinc/02/56/76/338025676.db2.gz LZKBFAKWIOIZCY-PKOBYXMFSA-N 2 0 302.506 3.901 20 0 DHADRP CCCc1csc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000426422613 338031842 /nfs/dbraw/zinc/03/18/42/338031842.db2.gz VSFTYBAKAIREOP-RHSMWYFYSA-N 2 0 319.518 3.544 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428871113 338063747 /nfs/dbraw/zinc/06/37/47/338063747.db2.gz ZXBZQBOTPSEMQT-UHFFFAOYSA-N 2 0 321.465 3.647 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000429245686 338074499 /nfs/dbraw/zinc/07/44/99/338074499.db2.gz KYLGGYWOBHAIBQ-MSOLQXFVSA-N 2 0 321.509 3.753 20 0 DHADRP COC1(C[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCC1 ZINC000429516993 338082872 /nfs/dbraw/zinc/08/28/72/338082872.db2.gz FSELXXDFQITPRP-BZSNNMDCSA-N 2 0 310.526 3.682 20 0 DHADRP COC1(C[C@H](C)[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)CCC1 ZINC000429525173 338082920 /nfs/dbraw/zinc/08/29/20/338082920.db2.gz AKDVQHVGQOVDHK-JENIJYKNSA-N 2 0 316.489 3.759 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)CC1 ZINC000429530732 338083051 /nfs/dbraw/zinc/08/30/51/338083051.db2.gz UASYLVHPJNHCSR-INIZCTEOSA-N 2 0 310.869 3.525 20 0 DHADRP COC1(C[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000429528072 338083085 /nfs/dbraw/zinc/08/30/85/338083085.db2.gz NWCTZBARPZOJNQ-ROUUACIJSA-N 2 0 318.505 3.834 20 0 DHADRP C[NH+](C)[C@H]1CCCN(CCSc2ccc(Cl)cc2)CC1 ZINC000429542058 338083501 /nfs/dbraw/zinc/08/35/01/338083501.db2.gz XGEWQCHBCLWCPS-HNNXBMFYSA-N 2 0 312.910 3.848 20 0 DHADRP C[N@@H+]1CC[C@]2(CCN(Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000430143475 338098973 /nfs/dbraw/zinc/09/89/73/338098973.db2.gz AOCRSHWJMZVKNF-FQEVSTJZSA-N 2 0 314.473 3.536 20 0 DHADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000430718091 338112207 /nfs/dbraw/zinc/11/22/07/338112207.db2.gz BJJSKRLNHGMAIL-KRFUXDQASA-N 2 0 322.537 3.559 20 0 DHADRP c1cc(-c2ccccc2)sc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430950852 338119323 /nfs/dbraw/zinc/11/93/23/338119323.db2.gz JGYQVHHPSOGKAM-UHFFFAOYSA-N 2 0 312.482 3.991 20 0 DHADRP C[C@H](CCSc1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000431609024 338134530 /nfs/dbraw/zinc/13/45/30/338134530.db2.gz WNGWFFUZRUBRNO-MRXNPFEDSA-N 2 0 306.519 3.831 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432744066 338165621 /nfs/dbraw/zinc/16/56/21/338165621.db2.gz DACHJEPUKCTFMZ-UHFFFAOYSA-N 2 0 320.424 3.931 20 0 DHADRP C[C@@H](C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746614 338224728 /nfs/dbraw/zinc/22/47/28/338224728.db2.gz NZQQJOHMCVOORG-YYWHXJBOSA-N 2 0 323.484 3.810 20 0 DHADRP CCC[C@H](C)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433544 338240056 /nfs/dbraw/zinc/24/00/56/338240056.db2.gz OJFBZGWCTDSPSG-GJZGRUSLSA-N 2 0 307.507 3.523 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436272361 338264777 /nfs/dbraw/zinc/26/47/77/338264777.db2.gz GUGPDPJHTAMUJS-UYAOXDASSA-N 2 0 300.490 3.862 20 0 DHADRP C[NH+](C)CC1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000437582226 338314431 /nfs/dbraw/zinc/31/44/31/338314431.db2.gz NAHYIOFGKSWQRA-PMACEKPBSA-N 2 0 300.490 3.770 20 0 DHADRP C[NH+](C)CC1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000437582228 338314584 /nfs/dbraw/zinc/31/45/84/338314584.db2.gz NAHYIOFGKSWQRA-UXHICEINSA-N 2 0 300.490 3.770 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccc(F)cc1 ZINC000437800298 338322001 /nfs/dbraw/zinc/32/20/01/338322001.db2.gz XCSYLIMWJBXGBH-HZPDHXFCSA-N 2 0 315.436 3.617 20 0 DHADRP CC(C)[C@H](C[NH2+]CCCCOc1ccccc1)[NH+]1CCCC1 ZINC000438083805 338330432 /nfs/dbraw/zinc/33/04/32/338330432.db2.gz WYUCVPVUYKHIHW-IBGZPJMESA-N 2 0 304.478 3.556 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nc(C)ccc3c2)C[C@H]1C ZINC000438094951 338331204 /nfs/dbraw/zinc/33/12/04/338331204.db2.gz GXTSJIOBDUEGCW-APWZRJJASA-N 2 0 311.473 3.848 20 0 DHADRP c1cc(C[NH2+]CC[C@@H]2CCOC2)cc(C[NH+]2CCCCCC2)c1 ZINC000438209768 338336761 /nfs/dbraw/zinc/33/67/61/338336761.db2.gz SYYCXGVKMDPXHI-GOSISDBHSA-N 2 0 316.489 3.579 20 0 DHADRP CCC(C)(C)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000441475559 338414994 /nfs/dbraw/zinc/41/49/94/338414994.db2.gz QLGBJGNUWKPJQT-IRXDYDNUSA-N 2 0 310.526 3.634 20 0 DHADRP CCc1oc2ccccc2c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887846 338539535 /nfs/dbraw/zinc/53/95/35/338539535.db2.gz ZDXYJDIDKBFMDF-UHFFFAOYSA-N 2 0 312.457 3.959 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)Cc2ccoc2)cc1 ZINC000449059626 338589173 /nfs/dbraw/zinc/58/91/73/338589173.db2.gz CDBVQWWAZACJMV-MRXNPFEDSA-N 2 0 300.446 3.842 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(CCO)CCC2)CC1 ZINC000449185140 338600356 /nfs/dbraw/zinc/60/03/56/338600356.db2.gz IVADACUGBXNHGR-UHFFFAOYSA-N 2 0 324.553 3.808 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000449327182 338613133 /nfs/dbraw/zinc/61/31/33/338613133.db2.gz APJCAMTUKGFMHF-QGZVFWFLSA-N 2 0 318.480 3.954 20 0 DHADRP Cn1cncc1CC[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000459412643 339027802 /nfs/dbraw/zinc/02/78/02/339027802.db2.gz PSTMFDFGUZCQAS-QWGSZXSUSA-N 2 0 315.486 3.982 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000459429284 339028565 /nfs/dbraw/zinc/02/85/65/339028565.db2.gz CLKCPSZFTBWPMC-OAHLLOKOSA-N 2 0 313.420 3.849 20 0 DHADRP CC1(C)CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459563407 339036030 /nfs/dbraw/zinc/03/60/30/339036030.db2.gz QFCMZPKGMDOUCP-MRXNPFEDSA-N 2 0 301.478 3.856 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459656713 339040785 /nfs/dbraw/zinc/04/07/85/339040785.db2.gz GKUIZUVSZZGCRB-ZDUSSCGKSA-N 2 0 315.367 3.723 20 0 DHADRP FC(F)(F)C1CCC(C[NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000459659888 339041198 /nfs/dbraw/zinc/04/11/98/339041198.db2.gz NDNOLYWXKKIVCU-UHFFFAOYSA-N 2 0 311.351 3.793 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000459662449 339041385 /nfs/dbraw/zinc/04/13/85/339041385.db2.gz AOIFJAQDLSKMPM-CZUORRHYSA-N 2 0 310.844 3.797 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000459725083 339044602 /nfs/dbraw/zinc/04/46/02/339044602.db2.gz AZAPILODNMQRBZ-MUYFXNHWSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000459728647 339044752 /nfs/dbraw/zinc/04/47/52/339044752.db2.gz IPYMUQYMGNOZMS-ZDUSSCGKSA-N 2 0 306.837 3.908 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000459730517 339044917 /nfs/dbraw/zinc/04/49/17/339044917.db2.gz KMCMCFRPLOVJNE-INIZCTEOSA-N 2 0 314.429 3.893 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000459733164 339045023 /nfs/dbraw/zinc/04/50/23/339045023.db2.gz GKWHLJNQCMNEOG-UQHVZDHRSA-N 2 0 308.416 3.532 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000459734961 339045163 /nfs/dbraw/zinc/04/51/63/339045163.db2.gz PBIMHOWARZINQF-OAHLLOKOSA-N 2 0 315.486 3.632 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459784622 339048380 /nfs/dbraw/zinc/04/83/80/339048380.db2.gz OCNLGKGUHALZNQ-OTWHNJEPSA-N 2 0 315.505 3.738 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000462110415 339072367 /nfs/dbraw/zinc/07/23/67/339072367.db2.gz IGESLWAKPOZVBQ-HIFRSBDPSA-N 2 0 306.416 3.819 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000462119468 339072416 /nfs/dbraw/zinc/07/24/16/339072416.db2.gz YQRQPZAEYDIYAF-KBPBESRZSA-N 2 0 306.416 3.819 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000462686253 339084166 /nfs/dbraw/zinc/08/41/66/339084166.db2.gz PZAHSMGVHBHASY-FUHWJXTLSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[NH+](C)C ZINC000462893779 339096442 /nfs/dbraw/zinc/09/64/42/339096442.db2.gz MHBGREZMHJTSST-HNNXBMFYSA-N 2 0 301.478 3.765 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000463025051 339101145 /nfs/dbraw/zinc/10/11/45/339101145.db2.gz NRLSSDVXMVPAAI-KURKYZTESA-N 2 0 310.526 3.536 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267603 339112577 /nfs/dbraw/zinc/11/25/77/339112577.db2.gz PUXFKCQHOQJJLC-SQWLQELKSA-N 2 0 314.395 3.828 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467305962 339230788 /nfs/dbraw/zinc/23/07/88/339230788.db2.gz VXZLWGUEKOILKF-MSOLQXFVSA-N 2 0 303.494 3.738 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000467354056 339233553 /nfs/dbraw/zinc/23/35/53/339233553.db2.gz FOBKCRGHIZXLKM-QGZVFWFLSA-N 2 0 320.452 3.533 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000467444549 339238990 /nfs/dbraw/zinc/23/89/90/339238990.db2.gz HPVSMZYDXDHCJB-XYJFISCASA-N 2 0 304.478 3.714 20 0 DHADRP CC[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000467551471 339242079 /nfs/dbraw/zinc/24/20/79/339242079.db2.gz BPTFSUORWVKLOO-LJQANCHMSA-N 2 0 318.505 3.646 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000468028025 339251545 /nfs/dbraw/zinc/25/15/45/339251545.db2.gz UZTGINNHIBEEGN-QWHCGFSZSA-N 2 0 318.383 3.619 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000468027181 339251570 /nfs/dbraw/zinc/25/15/70/339251570.db2.gz RSPDXIFIOTVNQV-PMUMKWKESA-N 2 0 300.446 3.602 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000468032923 339251811 /nfs/dbraw/zinc/25/18/11/339251811.db2.gz DNQSCASTUTZFOF-OLZOCXBDSA-N 2 0 318.383 3.619 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000469004426 339277350 /nfs/dbraw/zinc/27/73/50/339277350.db2.gz LXCBVPATZLTHBD-MLGOLLRUSA-N 2 0 315.288 3.856 20 0 DHADRP COC(C)(C)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469761374 339298113 /nfs/dbraw/zinc/29/81/13/339298113.db2.gz SYODOADNCSXXCI-IRXDYDNUSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469803123 339301275 /nfs/dbraw/zinc/30/12/75/339301275.db2.gz ZDXGGVWHGBSWBR-WFASDCNBSA-N 2 0 312.860 3.687 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OC3CCCC3)C[C@H]21 ZINC000469871987 339303377 /nfs/dbraw/zinc/30/33/77/339303377.db2.gz JHYHYIAWYGIZNZ-KFKAGJAMSA-N 2 0 314.473 3.567 20 0 DHADRP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469880604 339303634 /nfs/dbraw/zinc/30/36/34/339303634.db2.gz NXKOKZVTIROTPZ-VQIMIIECSA-N 2 0 302.462 3.612 20 0 DHADRP CC(C)([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000469982563 339306794 /nfs/dbraw/zinc/30/67/94/339306794.db2.gz CVJAYRGONAIWQJ-NSHDSACASA-N 2 0 301.261 3.818 20 0 DHADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000470003275 339308017 /nfs/dbraw/zinc/30/80/17/339308017.db2.gz PGQIHMCCNCHPGX-LBPRGKRZSA-N 2 0 306.862 3.849 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccc(Cl)cc2)C1 ZINC000471025729 339334729 /nfs/dbraw/zinc/33/47/29/339334729.db2.gz OTNBRSIMNLVQJB-QGZVFWFLSA-N 2 0 308.897 3.936 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2c1C ZINC000472051889 339361024 /nfs/dbraw/zinc/36/10/24/339361024.db2.gz IOEOWXDYYHCPTC-UHFFFAOYSA-N 2 0 311.473 3.749 20 0 DHADRP Cc1cccnc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472339294 339370176 /nfs/dbraw/zinc/37/01/76/339370176.db2.gz LNXCQGFDPJMCKF-CTNGQTDRSA-N 2 0 323.484 3.562 20 0 DHADRP C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472446658 339372088 /nfs/dbraw/zinc/37/20/88/339372088.db2.gz AMHFTTPTLWVJJA-PXNSSMCTSA-N 2 0 300.490 3.671 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CSc2ccccc2)C1 ZINC000472575623 339374206 /nfs/dbraw/zinc/37/42/06/339374206.db2.gz UZCPZJXLEGNBDM-QZTJIDSGSA-N 2 0 318.530 3.975 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000474052846 339399404 /nfs/dbraw/zinc/39/94/04/339399404.db2.gz NMNRQYVPUAENFK-CEXWTWQISA-N 2 0 310.526 3.683 20 0 DHADRP C(CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)CC[NH+]1CCCCC1 ZINC000474054811 339399489 /nfs/dbraw/zinc/39/94/89/339399489.db2.gz JTOGGEZLGRMYBY-HSALFYBXSA-N 2 0 322.537 3.828 20 0 DHADRP O[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000474956489 339433318 /nfs/dbraw/zinc/43/33/18/339433318.db2.gz UHGBWOFFSISTBH-HXUWFJFHSA-N 2 0 322.537 3.516 20 0 DHADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000474956488 339433408 /nfs/dbraw/zinc/43/34/08/339433408.db2.gz UHGBWOFFSISTBH-FQEVSTJZSA-N 2 0 322.537 3.516 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481245732 339599033 /nfs/dbraw/zinc/59/90/33/339599033.db2.gz KFYHBPXEUCELSN-DLBZAZTESA-N 2 0 302.462 3.634 20 0 DHADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000481548856 339606435 /nfs/dbraw/zinc/60/64/35/339606435.db2.gz VZOBOPIKDIPFAA-FQEVSTJZSA-N 2 0 318.505 3.693 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C1CC1 ZINC000481713922 339610804 /nfs/dbraw/zinc/61/08/04/339610804.db2.gz FEZCCLLNMZBCIX-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(C)C)CC1 ZINC000482557263 339636002 /nfs/dbraw/zinc/63/60/02/339636002.db2.gz KAJRUPZYLHCEGC-HOTGVXAUSA-N 2 0 321.484 3.663 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CC1(C)C ZINC000487266782 339748016 /nfs/dbraw/zinc/74/80/16/339748016.db2.gz JBWBQBQQIGQVLC-YJBOKZPZSA-N 2 0 304.478 3.541 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000494906846 339964342 /nfs/dbraw/zinc/96/43/42/339964342.db2.gz FSZDIKVSOIPJNC-JXXFODFXSA-N 2 0 316.489 3.541 20 0 DHADRP CC(C)OC[C@H](C)[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000500445672 340058873 /nfs/dbraw/zinc/05/88/73/340058873.db2.gz JFKHHUNHTXSSMC-PKOBYXMFSA-N 2 0 306.494 3.546 20 0 DHADRP C[N@H+](C/C=C/c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501069343 340073715 /nfs/dbraw/zinc/07/37/15/340073715.db2.gz PDUARAQJOBHHPW-VMPITWQZSA-N 2 0 321.468 3.943 20 0 DHADRP COc1cccc(CCC[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000501770056 340088144 /nfs/dbraw/zinc/08/81/44/340088144.db2.gz LVRNBEUBIATHGN-UHFFFAOYSA-N 2 0 318.505 3.682 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000501776539 340088551 /nfs/dbraw/zinc/08/85/51/340088551.db2.gz OPSJPMAVPHRNRT-UHFFFAOYSA-N 2 0 324.509 3.972 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000502447242 340103841 /nfs/dbraw/zinc/10/38/41/340103841.db2.gz SLRZDDAQYYDJKC-IHPCNDPISA-N 2 0 318.505 3.692 20 0 DHADRP COc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H](C)C2CC2)cc1 ZINC000502719488 340112073 /nfs/dbraw/zinc/11/20/73/340112073.db2.gz BWTSYUNOFSPCGF-QFBILLFUSA-N 2 0 316.489 3.780 20 0 DHADRP CC[C@H](C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000503004777 340118478 /nfs/dbraw/zinc/11/84/78/340118478.db2.gz KTQUNTGUOCBOIN-GUDVDZBRSA-N 2 0 318.505 3.659 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503015889 340118739 /nfs/dbraw/zinc/11/87/39/340118739.db2.gz QZUODZVNXWSMGV-VQTJNVASSA-N 2 0 324.468 3.520 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)ccc1F ZINC000503035597 340119270 /nfs/dbraw/zinc/11/92/70/340119270.db2.gz OGNUDFDFHXFKTD-PKOBYXMFSA-N 2 0 312.432 3.781 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000503046310 340119625 /nfs/dbraw/zinc/11/96/25/340119625.db2.gz CTNGTJGDKGKTFQ-VQTJNVASSA-N 2 0 300.490 3.892 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CCN1CCC(=Cc2ccccc2F)CC1 ZINC000503080321 340120494 /nfs/dbraw/zinc/12/04/94/340120494.db2.gz KKTXCSWNEIMXSX-GOSISDBHSA-N 2 0 302.437 3.789 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000401039813 340161035 /nfs/dbraw/zinc/16/10/35/340161035.db2.gz DEMLPBJNBMRSFB-ATVPRXPUSA-N 2 0 312.379 3.744 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000506868909 340203009 /nfs/dbraw/zinc/20/30/09/340203009.db2.gz WESFMIZWAKNCCV-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP CCCCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000506932480 340203942 /nfs/dbraw/zinc/20/39/42/340203942.db2.gz SVVXFAAMOUHHFS-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506945031 340204006 /nfs/dbraw/zinc/20/40/06/340204006.db2.gz NDZLZAJMYAZEIV-UHFFFAOYSA-N 2 0 316.420 3.859 20 0 DHADRP CC(C)[C@H](C)[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000507191958 340212340 /nfs/dbraw/zinc/21/23/40/340212340.db2.gz QNSBEEFSBQJAMU-KRWDZBQOSA-N 2 0 317.521 3.693 20 0 DHADRP C1=C(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000507462615 340220689 /nfs/dbraw/zinc/22/06/89/340220689.db2.gz PIPZRXQEMMBWFT-NJDAHSKKSA-N 2 0 310.485 3.987 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507476140 340221600 /nfs/dbraw/zinc/22/16/00/340221600.db2.gz ISTYQPAYNVRTMJ-IBGZPJMESA-N 2 0 302.506 3.965 20 0 DHADRP CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507520025 340224039 /nfs/dbraw/zinc/22/40/39/340224039.db2.gz MMBRNOUGMNTIDD-AKHDSKFASA-N 2 0 318.530 3.628 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000508544009 340246231 /nfs/dbraw/zinc/24/62/31/340246231.db2.gz KMHPXWZGWSYOLU-SFHVURJKSA-N 2 0 308.469 3.702 20 0 DHADRP CC(C)COCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698939 340250856 /nfs/dbraw/zinc/25/08/56/340250856.db2.gz PQZHJMCCSVZVFC-UYAOXDASSA-N 2 0 318.505 3.549 20 0 DHADRP CC(C)COCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698936 340250910 /nfs/dbraw/zinc/25/09/10/340250910.db2.gz PQZHJMCCSVZVFC-ICSRJNTNSA-N 2 0 318.505 3.549 20 0 DHADRP CCOC1CC(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000509369279 340267491 /nfs/dbraw/zinc/26/74/91/340267491.db2.gz CBXDEPUVSAKFDW-QHGAOEGBSA-N 2 0 322.537 3.778 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000510013320 340285475 /nfs/dbraw/zinc/28/54/75/340285475.db2.gz JFEACBWZFKVEIO-XCMFGDQWSA-N 2 0 316.489 3.558 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000510364355 340297009 /nfs/dbraw/zinc/29/70/09/340297009.db2.gz WBNBUQLZDAIVAL-OXQOHEQNSA-N 2 0 316.464 3.867 20 0 DHADRP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000303041106 340297617 /nfs/dbraw/zinc/29/76/17/340297617.db2.gz SIJMQWJJOMUGIE-FQEVSTJZSA-N 2 0 300.490 3.939 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000510396995 340297830 /nfs/dbraw/zinc/29/78/30/340297830.db2.gz OOXSDKFBWFWSMJ-BEFAXECRSA-N 2 0 304.453 3.867 20 0 DHADRP COCC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC000510960635 340316312 /nfs/dbraw/zinc/31/63/12/340316312.db2.gz RRYAYOROKZCMHZ-OALUTQOASA-N 2 0 318.505 3.692 20 0 DHADRP COCC[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979610 340316934 /nfs/dbraw/zinc/31/69/34/340316934.db2.gz VTMQAKSCQSUXAG-UHOSZYNNSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000511019452 340318388 /nfs/dbraw/zinc/31/83/88/340318388.db2.gz SNWABXILZKHFHZ-AHRSYUTCSA-N 2 0 322.537 3.560 20 0 DHADRP CSc1ccccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000511153882 340322570 /nfs/dbraw/zinc/32/25/70/340322570.db2.gz HPUCCXHUKSSUTJ-MRXNPFEDSA-N 2 0 304.503 3.716 20 0 DHADRP CC(C)(C[NH2+]C/C=C\c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000511794470 340338554 /nfs/dbraw/zinc/33/85/54/340338554.db2.gz FOXQVYHVBSNWIJ-WAYWQWQTSA-N 2 0 308.416 3.690 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512036956 340346357 /nfs/dbraw/zinc/34/63/57/340346357.db2.gz NGQRLHJORAHBCE-MAVJXHJTSA-N 2 0 322.443 3.936 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000512101245 340348535 /nfs/dbraw/zinc/34/85/35/340348535.db2.gz SHHUAQMBZNYPGV-IHWYPQMZSA-N 2 0 306.400 3.585 20 0 DHADRP c1coc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512652786 340371046 /nfs/dbraw/zinc/37/10/46/340371046.db2.gz BMBHMCCCYAXUSI-SESVDKBCSA-N 2 0 324.468 3.712 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CC=CCC4)[C@H]3C2)cc1 ZINC000512672694 340372474 /nfs/dbraw/zinc/37/24/74/340372474.db2.gz LUGCTFGNGQITLU-XSDIEEQYSA-N 2 0 310.485 3.985 20 0 DHADRP CC[C@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173947493 340378386 /nfs/dbraw/zinc/37/83/86/340378386.db2.gz KSRRHOADOIMPJN-HXUWFJFHSA-N 2 0 316.489 3.715 20 0 DHADRP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000306173392 340393993 /nfs/dbraw/zinc/39/39/93/340393993.db2.gz GCAXPHAUIZIJED-NHCUHLMSSA-N 2 0 306.453 3.641 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000517202716 340465394 /nfs/dbraw/zinc/46/53/94/340465394.db2.gz UXYQJXOYIQRPQN-ZDUSSCGKSA-N 2 0 310.482 3.930 20 0 DHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000191569280 340555804 /nfs/dbraw/zinc/55/58/04/340555804.db2.gz UUAMPLAPNJPBSW-RBUKOAKNSA-N 2 0 323.569 3.597 20 0 DHADRP C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)CC[NH+]1CCCCC1 ZINC000194040017 340588390 /nfs/dbraw/zinc/58/83/90/340588390.db2.gz LGFYLZZUDVXKJM-GUDVDZBRSA-N 2 0 320.521 3.580 20 0 DHADRP CCC(CC)(CCO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305198066 340647825 /nfs/dbraw/zinc/64/78/25/340647825.db2.gz ZRUSRQKCNNWGOU-UHFFFAOYSA-N 2 0 310.526 3.562 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215817 340782834 /nfs/dbraw/zinc/78/28/34/340782834.db2.gz JISDNEIPYNNMDW-KRWDZBQOSA-N 2 0 321.553 3.540 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000537967511 340794133 /nfs/dbraw/zinc/79/41/33/340794133.db2.gz MBRILPCAZWKUIP-JFIYKMOQSA-N 2 0 304.478 3.856 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000564201175 340808623 /nfs/dbraw/zinc/80/86/23/340808623.db2.gz XFIVSRQPXNVONZ-WOJBJXKFSA-N 2 0 316.489 3.699 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000538100078 340809304 /nfs/dbraw/zinc/80/93/04/340809304.db2.gz AZEVSZOIEKEPRG-IBGZPJMESA-N 2 0 304.453 3.988 20 0 DHADRP CCCC[C@@H](CC)CC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000538851000 340857852 /nfs/dbraw/zinc/85/78/52/340857852.db2.gz ONRPXLSATSNKPR-GOSISDBHSA-N 2 0 323.569 3.741 20 0 DHADRP Cc1ccc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000542278918 341003319 /nfs/dbraw/zinc/00/33/19/341003319.db2.gz XBUVWPFJUMDUGG-FQEVSTJZSA-N 2 0 300.490 3.735 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000542318023 341004491 /nfs/dbraw/zinc/00/44/91/341004491.db2.gz MHTNPMKJIRTTRH-FZKQIMNGSA-N 2 0 322.412 3.582 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000543092888 341031545 /nfs/dbraw/zinc/03/15/45/341031545.db2.gz HBSMWVRVTMHDJF-QFBILLFUSA-N 2 0 318.480 3.811 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000543092889 341031562 /nfs/dbraw/zinc/03/15/62/341031562.db2.gz HBSMWVRVTMHDJF-VQIMIIECSA-N 2 0 318.480 3.811 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H]3CCO[C@@H](C)C3)CC2)C1 ZINC000543410031 341042637 /nfs/dbraw/zinc/04/26/37/341042637.db2.gz IPBOXMJCERPXKC-RMJJICAUSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000543446148 341045055 /nfs/dbraw/zinc/04/50/55/341045055.db2.gz CNPCMDBASPWAFJ-ICSRJNTNSA-N 2 0 302.506 3.823 20 0 DHADRP CC[N@@H+]1CC[C@@H](NCc2ccccc2OCC(C)C)[C@H](C)C1 ZINC000130806589 341046108 /nfs/dbraw/zinc/04/61/08/341046108.db2.gz VZYQRJYXYBCVIG-SJLPKXTDSA-N 2 0 304.478 3.541 20 0 DHADRP CN(C/C=C\c1ccc(F)cc1F)CC[C@@H]1CCCC[N@@H+]1C ZINC000543632338 341052231 /nfs/dbraw/zinc/05/22/31/341052231.db2.gz UCFPSIOUMDGXMB-OSJSJHBBSA-N 2 0 308.416 3.784 20 0 DHADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000544610997 341088857 /nfs/dbraw/zinc/08/88/57/341088857.db2.gz IMVNVEMVWGLPQN-VBSBHUPXSA-N 2 0 322.537 3.776 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)[C@H](C)C1 ZINC000132096283 341116183 /nfs/dbraw/zinc/11/61/83/341116183.db2.gz MUSSDAAKBGNPED-CRAIPNDOSA-N 2 0 304.453 3.567 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000546230025 341158321 /nfs/dbraw/zinc/15/83/21/341158321.db2.gz NHNLNEQVYYEAFK-LJQANCHMSA-N 2 0 323.569 3.693 20 0 DHADRP CC(C)C1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000236587294 341188232 /nfs/dbraw/zinc/18/82/32/341188232.db2.gz DQSZABWRSIQYSJ-YYZRRKBYSA-N 2 0 310.526 3.680 20 0 DHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000564314781 341201615 /nfs/dbraw/zinc/20/16/15/341201615.db2.gz GAWQITJUFMLZGG-PMACEKPBSA-N 2 0 322.537 3.704 20 0 DHADRP CN1CCC([NH2+]Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000237169787 341208450 /nfs/dbraw/zinc/20/84/50/341208450.db2.gz OSLIESYCCIAOJK-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000564318720 341210101 /nfs/dbraw/zinc/21/01/01/341210101.db2.gz ALVGEHYLJBXQNJ-DJJJIMSYSA-N 2 0 313.420 3.716 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000547393438 341210804 /nfs/dbraw/zinc/21/08/04/341210804.db2.gz XEAIRUFNCIBKMW-UHFFFAOYSA-N 2 0 300.490 3.959 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cncs2)CC1)CC(C)C ZINC000564321275 341214816 /nfs/dbraw/zinc/21/48/16/341214816.db2.gz TXTBCTWUGLOSAV-UHFFFAOYSA-N 2 0 309.523 3.723 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)CN1Cc1ccccc1 ZINC000237716733 341218722 /nfs/dbraw/zinc/21/87/22/341218722.db2.gz ZNEYEMBAOVMUOG-LPHOPBHVSA-N 2 0 319.452 3.921 20 0 DHADRP Clc1ccccc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134936020 341226931 /nfs/dbraw/zinc/22/69/31/341226931.db2.gz AWJFSYLWWMNPOH-VQIMIIECSA-N 2 0 318.892 3.831 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CC=CC3)C2)c1C ZINC000548791234 341275712 /nfs/dbraw/zinc/27/57/12/341275712.db2.gz AQFJKHVWYSRUHU-INIZCTEOSA-N 2 0 307.441 3.556 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261539899 341282149 /nfs/dbraw/zinc/28/21/49/341282149.db2.gz DHLZCPCPUDBTOZ-RBUKOAKNSA-N 2 0 310.441 3.625 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000549613309 341299074 /nfs/dbraw/zinc/29/90/74/341299074.db2.gz DHZSICBVDMJVNR-XUVXKRRUSA-N 2 0 322.537 3.559 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCSCc3ccccc3)CC[C@H]21 ZINC000245588637 341303948 /nfs/dbraw/zinc/30/39/48/341303948.db2.gz NWWOHUJTNQOUOR-RTBURBONSA-N 2 0 318.530 3.726 20 0 DHADRP C[N@@H+]1CCC[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839939 341304660 /nfs/dbraw/zinc/30/46/60/341304660.db2.gz DGOMEGAUBNZXKX-INIZCTEOSA-N 2 0 313.272 3.911 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000245761434 341313898 /nfs/dbraw/zinc/31/38/98/341313898.db2.gz IOCSSOFLPHYVKJ-XJKSGUPXSA-N 2 0 310.869 3.511 20 0 DHADRP CN(C)c1cccc(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000550643844 341320179 /nfs/dbraw/zinc/32/01/79/341320179.db2.gz FZCUQGKUFFEJRX-FPOVZHCZSA-N 2 0 323.484 3.678 20 0 DHADRP CN(C)c1cccc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000550643845 341320202 /nfs/dbraw/zinc/32/02/02/341320202.db2.gz FZCUQGKUFFEJRX-PZJWPPBQSA-N 2 0 323.484 3.678 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H](C)C1 ZINC000550847339 341324252 /nfs/dbraw/zinc/32/42/52/341324252.db2.gz LWJMLDDPYIKPMX-IRXDYDNUSA-N 2 0 312.542 3.785 20 0 DHADRP COc1ccc2ccccc2c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246117001 341327440 /nfs/dbraw/zinc/32/74/40/341327440.db2.gz KBYLXZRJIWXBJU-FXAWDEMLSA-N 2 0 324.468 3.765 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCCCC23CCCC3)CC[NH+](C)CC1 ZINC000551197340 341333868 /nfs/dbraw/zinc/33/38/68/341333868.db2.gz MORWJNMUDKYDFS-MRXNPFEDSA-N 2 0 310.551 3.906 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CC)CC2)[C@@H](C)C1 ZINC000551212123 341334028 /nfs/dbraw/zinc/33/40/28/341334028.db2.gz SFTZZIOEIQJYTJ-VJANTYMQSA-N 2 0 310.526 3.682 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246896173 341358329 /nfs/dbraw/zinc/35/83/29/341358329.db2.gz FBHGLGNMEZZDME-FCEWJHQRSA-N 2 0 302.462 3.535 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)[C@@H](C)C1 ZINC000246906872 341358555 /nfs/dbraw/zinc/35/85/55/341358555.db2.gz FSBGEHRDKWOMAD-QFBILLFUSA-N 2 0 318.505 3.822 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000246956580 341358994 /nfs/dbraw/zinc/35/89/94/341358994.db2.gz IPAZFQAAFHKDOA-LPHOPBHVSA-N 2 0 318.530 3.727 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247014233 341359925 /nfs/dbraw/zinc/35/99/25/341359925.db2.gz LJMNHFRCMSUMSH-RRFJBIMHSA-N 2 0 317.502 3.720 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(C(C)C)nc2C)C1 ZINC000247059725 341360583 /nfs/dbraw/zinc/36/05/83/341360583.db2.gz NSJUERSNGLDFBU-HIFRSBDPSA-N 2 0 309.523 3.957 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000247172352 341361822 /nfs/dbraw/zinc/36/18/22/341361822.db2.gz YQXZRFADFILNRW-YOEHRIQHSA-N 2 0 306.881 3.692 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000247245622 341362755 /nfs/dbraw/zinc/36/27/55/341362755.db2.gz UBTDJURMYJCJHB-BBRMVZONSA-N 2 0 314.395 3.868 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248040353 341372559 /nfs/dbraw/zinc/37/25/59/341372559.db2.gz SSYRIQKRPTTYKX-XJKSGUPXSA-N 2 0 312.910 3.752 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000552252331 341381563 /nfs/dbraw/zinc/38/15/63/341381563.db2.gz IXHSMJSATNOYEV-UHFFFAOYSA-N 2 0 301.261 3.956 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248572398 341380241 /nfs/dbraw/zinc/38/02/41/341380241.db2.gz MXXHQSONDPMOQF-KZNAEPCWSA-N 2 0 308.510 3.530 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000552270774 341382619 /nfs/dbraw/zinc/38/26/19/341382619.db2.gz BYEYZGMBCIOKRB-AQNXPRMDSA-N 2 0 318.505 3.659 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000552270777 341382633 /nfs/dbraw/zinc/38/26/33/341382633.db2.gz BYEYZGMBCIOKRB-ZCNNSNEGSA-N 2 0 318.505 3.659 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552357729 341388904 /nfs/dbraw/zinc/38/89/04/341388904.db2.gz OJELFNFEBHNAMF-NRFANRHFSA-N 2 0 324.468 3.766 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000249145986 341394606 /nfs/dbraw/zinc/39/46/06/341394606.db2.gz WVYNWQJSJBCMJV-UXHICEINSA-N 2 0 312.501 3.863 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000249381140 341396857 /nfs/dbraw/zinc/39/68/57/341396857.db2.gz RHHLMWHVYRADMP-CVEARBPZSA-N 2 0 312.457 3.841 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215646 341402691 /nfs/dbraw/zinc/40/26/91/341402691.db2.gz CIQNGTJFRDCJMM-IERDGZPVSA-N 2 0 321.468 3.821 20 0 DHADRP C[C@@H]([NH2+]CC1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000552893958 341408120 /nfs/dbraw/zinc/40/81/20/341408120.db2.gz BFNGDXVREINUTL-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000554050300 341441839 /nfs/dbraw/zinc/44/18/39/341441839.db2.gz IGMVAXDVNNRVNA-QZTJIDSGSA-N 2 0 304.478 3.541 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC3 ZINC000565833402 341539755 /nfs/dbraw/zinc/53/97/55/341539755.db2.gz BIINFOOKTLYQMS-QGZVFWFLSA-N 2 0 319.452 3.582 20 0 DHADRP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)ccc1F ZINC000154446709 341589329 /nfs/dbraw/zinc/58/93/29/341589329.db2.gz DQUOLJGQCSPPGI-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000577648510 341927275 /nfs/dbraw/zinc/92/72/75/341927275.db2.gz UPNBIQHWBJSTHQ-WOJBJXKFSA-N 2 0 323.569 3.621 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000178041157 341941967 /nfs/dbraw/zinc/94/19/67/341941967.db2.gz ISDFNPZJDFOPKA-KURKYZTESA-N 2 0 304.478 3.535 20 0 DHADRP CC(C)[NH2+]C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000191301096 519719050 /nfs/dbraw/zinc/71/90/50/519719050.db2.gz ZFFYYMHMIZELTH-UHFFFAOYSA-N 2 0 304.478 3.698 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000365074367 519722788 /nfs/dbraw/zinc/72/27/88/519722788.db2.gz VYKBLOGTQSKZTO-FUMNGEBKSA-N 2 0 322.537 3.539 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000337327325 519770608 /nfs/dbraw/zinc/77/06/08/519770608.db2.gz DDCQIJRQSRCBOE-VOBGVNJCSA-N 2 0 316.489 3.585 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941428 519799149 /nfs/dbraw/zinc/79/91/49/519799149.db2.gz SZFIGZMWXGUUOO-SCLBCKFNSA-N 2 0 308.416 3.736 20 0 DHADRP CC1(C)CC[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC000336860537 520400264 /nfs/dbraw/zinc/40/02/64/520400264.db2.gz RYOMGQAVLNTJAW-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP CCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000236788649 520724886 /nfs/dbraw/zinc/72/48/86/520724886.db2.gz KVRAZWYBDMQNKR-QGZVFWFLSA-N 2 0 317.477 3.517 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]CCC2CC[NH+](CC)CC2)s1 ZINC000121650945 522232230 /nfs/dbraw/zinc/23/22/30/522232230.db2.gz DISMDIADRUYIDW-ZDUSSCGKSA-N 2 0 309.523 3.787 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159175527 523301806 /nfs/dbraw/zinc/30/18/06/523301806.db2.gz SSVNBMSUFWFMLS-JXFKEZNVSA-N 2 0 316.489 3.716 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cccn2C)cc1 ZINC000161651540 524114636 /nfs/dbraw/zinc/11/46/36/524114636.db2.gz VUVAIISDPZBFGM-QGZVFWFLSA-N 2 0 311.473 3.689 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000158178297 524924502 /nfs/dbraw/zinc/92/45/02/524924502.db2.gz OSQQCWHQQFXHRQ-XHDPSFHLSA-N 2 0 301.261 3.608 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162576247 525417414 /nfs/dbraw/zinc/41/74/14/525417414.db2.gz LWFQSHQBQIUANR-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccs1 ZINC000162556892 525535048 /nfs/dbraw/zinc/53/50/48/525535048.db2.gz NPLJVGQIEWDDCK-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435665 526075032 /nfs/dbraw/zinc/07/50/32/526075032.db2.gz AZRPDOSZBMAWKP-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000363826004 526217455 /nfs/dbraw/zinc/21/74/55/526217455.db2.gz QAWMTEWASOHDJP-WSTZPKSXSA-N 2 0 323.484 3.951 20 0 DHADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CCCCC[NH+]3CCCC3)C2)c1 ZINC000339504975 526548156 /nfs/dbraw/zinc/54/81/56/526548156.db2.gz NAYXUWRVHPJUCM-UYAOXDASSA-N 2 0 315.505 3.964 20 0 DHADRP FC(F)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000365113204 527698524 /nfs/dbraw/zinc/69/85/24/527698524.db2.gz VEHWRYRDPALPTC-UHFFFAOYSA-N 2 0 308.416 3.932 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000044532506 1013100296 /nfs/dbraw/zinc/10/02/96/1013100296.db2.gz BZKOFAXJHGDFPP-HNNXBMFYSA-N 2 0 300.471 3.847 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCc2ccccc2O)cc1 ZINC000154962713 1013115065 /nfs/dbraw/zinc/11/50/65/1013115065.db2.gz RYORWCMVDQCUPH-HNNXBMFYSA-N 2 0 321.424 3.780 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCCOc2ccc(Cl)cc2)CC1 ZINC001168295010 1032067012 /nfs/dbraw/zinc/06/70/12/1032067012.db2.gz ONIODEQXMJDUMU-UHFFFAOYSA-N 2 0 310.869 3.571 20 0 DHADRP CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000561778984 1032070174 /nfs/dbraw/zinc/07/01/74/1032070174.db2.gz LOIUVDOMWHFRPB-QKLQHJQFSA-N 2 0 318.505 3.558 20 0 DHADRP Cc1csc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167964367 1013209441 /nfs/dbraw/zinc/20/94/41/1013209441.db2.gz PRZAEXOXSLFBRD-OHRKKDJYSA-N 2 0 305.491 3.508 20 0 DHADRP c1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167965711 1013274253 /nfs/dbraw/zinc/27/42/53/1013274253.db2.gz LTKLSOWJRZHJGC-WVVQBRDUSA-N 2 0 310.485 3.539 20 0 DHADRP CC[NH+](CC)CCCN(C)Cc1cccc(Br)c1 ZINC001167139146 1013279523 /nfs/dbraw/zinc/27/95/23/1013279523.db2.gz WQGFYNWATIFKQW-UHFFFAOYSA-N 2 0 313.283 3.613 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000120591122 1013303115 /nfs/dbraw/zinc/30/31/15/1013303115.db2.gz LLMBCPGRPGJZCT-OLZOCXBDSA-N 2 0 312.404 3.669 20 0 DHADRP c1cc2c(cccc2C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204741861 1013308192 /nfs/dbraw/zinc/30/81/92/1013308192.db2.gz DEBUDAHJVDRMCQ-UHFFFAOYSA-N 2 0 300.471 3.867 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cc(C)ccc1OC ZINC000093403329 1013317613 /nfs/dbraw/zinc/31/76/13/1013317613.db2.gz KXLUTFNJNDHGLY-WMZOPIPTSA-N 2 0 304.478 3.776 20 0 DHADRP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001203388429 1013329217 /nfs/dbraw/zinc/32/92/17/1013329217.db2.gz UWFIMXFYOBIXRL-OAHLLOKOSA-N 2 0 302.805 3.697 20 0 DHADRP Cc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167967024 1013338128 /nfs/dbraw/zinc/33/81/28/1013338128.db2.gz AECODIJXCUCGTF-IHWFROFDSA-N 2 0 310.485 3.979 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCc3ccc(F)cc32)ccc1F ZINC000120924996 1013405851 /nfs/dbraw/zinc/40/58/51/1013405851.db2.gz BSKHVPJBRVUDBP-LJQANCHMSA-N 2 0 316.395 3.804 20 0 DHADRP c1cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2o1 ZINC001167974317 1013410419 /nfs/dbraw/zinc/41/04/19/1013410419.db2.gz VTQMIKRXFJBYCG-YQQQUEKLSA-N 2 0 310.441 3.928 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000315380653 1013496300 /nfs/dbraw/zinc/49/63/00/1013496300.db2.gz DITXACQAXZTLOT-HOTGVXAUSA-N 2 0 304.478 3.855 20 0 DHADRP C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369288 1013523516 /nfs/dbraw/zinc/52/35/16/1013523516.db2.gz GRULIZJTFOSFLP-IRXDYDNUSA-N 2 0 316.489 3.716 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000519640651 1013585890 /nfs/dbraw/zinc/58/58/90/1013585890.db2.gz GTICMZCTGZNXLL-GOSISDBHSA-N 2 0 302.462 3.613 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CC2Cc3ccccc3C2)C1 ZINC000519791850 1013603849 /nfs/dbraw/zinc/60/38/49/1013603849.db2.gz KNTLMLRDYSAHEA-QGZVFWFLSA-N 2 0 300.490 3.503 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000519778295 1013604503 /nfs/dbraw/zinc/60/45/03/1013604503.db2.gz YMYHWSPUZWUBFV-QGZVFWFLSA-N 2 0 324.468 3.841 20 0 DHADRP CC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655689222 1013640560 /nfs/dbraw/zinc/64/05/60/1013640560.db2.gz YYHDCYPDELMLBX-ZWKOTPCHSA-N 2 0 322.880 3.634 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000188169138 1013648765 /nfs/dbraw/zinc/64/87/65/1013648765.db2.gz YBHWQOMSPLWBTG-VQTJNVASSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CS1 ZINC000655703612 1013654812 /nfs/dbraw/zinc/65/48/12/1013654812.db2.gz IZTWSENLWREUFC-OAGGEKHMSA-N 2 0 324.559 3.834 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CS1 ZINC000655703190 1013654991 /nfs/dbraw/zinc/65/49/91/1013654991.db2.gz NFYSLURWHADYTA-BHIYHBOVSA-N 2 0 318.530 3.772 20 0 DHADRP C[N@H+](Cc1ccccc1C[NH2+]C1CSC1)C1CCCCC1 ZINC000679840232 1013701670 /nfs/dbraw/zinc/70/16/70/1013701670.db2.gz AXLPWDQSFOPPNO-UHFFFAOYSA-N 2 0 304.503 3.656 20 0 DHADRP C1CC1[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655788375 1013712049 /nfs/dbraw/zinc/71/20/49/1013712049.db2.gz IBEIZIQCGIDKOS-WOJBJXKFSA-N 2 0 320.521 3.721 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000655804309 1013728239 /nfs/dbraw/zinc/72/82/39/1013728239.db2.gz TXMWVRQPOMSPCQ-UWIFEVILSA-N 2 0 306.881 3.906 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)c2ccccc21 ZINC000655804356 1013728461 /nfs/dbraw/zinc/72/84/61/1013728461.db2.gz WHMYOBKVUIOLEF-KFWWJZLASA-N 2 0 300.421 3.970 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1(c2ccccc2)CCCC1 ZINC000655806158 1013728626 /nfs/dbraw/zinc/72/86/26/1013728626.db2.gz ZYAWVJOEMBOIGP-JENIJYKNSA-N 2 0 300.490 3.817 20 0 DHADRP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000315601661 1013761156 /nfs/dbraw/zinc/76/11/56/1013761156.db2.gz UBMQGCNSSJHZIK-HOTGVXAUSA-N 2 0 304.478 3.855 20 0 DHADRP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000315601663 1013763671 /nfs/dbraw/zinc/76/36/71/1013763671.db2.gz UBMQGCNSSJHZIK-JKSUJKDBSA-N 2 0 304.478 3.855 20 0 DHADRP C1CCC(OC2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000655851567 1013776643 /nfs/dbraw/zinc/77/66/43/1013776643.db2.gz XXHOGLYJZATMPV-QUDVFMAMSA-N 2 0 320.521 3.863 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000340439256 1013791776 /nfs/dbraw/zinc/79/17/76/1013791776.db2.gz IPGGMLBFXGXFGG-MJGOQNOKSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000340471049 1013837480 /nfs/dbraw/zinc/83/74/80/1013837480.db2.gz BAPSITLIGARUNU-UZLBHIALSA-N 2 0 316.489 3.871 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@]1(C)CCCO1 ZINC000340476897 1013858685 /nfs/dbraw/zinc/85/86/85/1013858685.db2.gz VAEQPYMDFPWYIO-PXNSSMCTSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CS1 ZINC000639215953 1013900295 /nfs/dbraw/zinc/90/02/95/1013900295.db2.gz MRYFSWHKXPWBDS-VXGBXAGGSA-N 2 0 307.850 3.509 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189006854 1013904036 /nfs/dbraw/zinc/90/40/36/1013904036.db2.gz AITBLNMRVHQBCT-QUCCMNQESA-N 2 0 300.490 3.860 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000049159516 1013907397 /nfs/dbraw/zinc/90/73/97/1013907397.db2.gz KGERMLGHTBWSOT-AWEZNQCLSA-N 2 0 301.459 3.771 20 0 DHADRP F[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340525587 1013916845 /nfs/dbraw/zinc/91/68/45/1013916845.db2.gz WRZVNFWMQGANOV-JEQQUTEPSA-N 2 0 302.437 3.662 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2cnccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000683774781 1013984832 /nfs/dbraw/zinc/98/48/32/1013984832.db2.gz MJDLNHYFTFZHNQ-OXJNMPFZSA-N 2 0 323.484 3.977 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2cnccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000683774785 1013985099 /nfs/dbraw/zinc/98/50/99/1013985099.db2.gz MJDLNHYFTFZHNQ-UZLBHIALSA-N 2 0 323.484 3.977 20 0 DHADRP C[C@@H]1C[C@H](N[C@H]2CC3(CCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000361748394 1032078394 /nfs/dbraw/zinc/07/83/94/1032078394.db2.gz AWYVDZFFEQSTGP-INMHGKMJSA-N 2 0 300.446 3.505 20 0 DHADRP CC[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000580109230 1014032336 /nfs/dbraw/zinc/03/23/36/1014032336.db2.gz MESKXFCCQRHEBC-UYAOXDASSA-N 2 0 316.489 3.685 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683825813 1014044950 /nfs/dbraw/zinc/04/49/50/1014044950.db2.gz YNRNUBOTQIJKEX-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000656193174 1014102028 /nfs/dbraw/zinc/10/20/28/1014102028.db2.gz WULPGBZGMDTTEP-NHCUHLMSSA-N 2 0 324.468 3.763 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000125452231 1014115149 /nfs/dbraw/zinc/11/51/49/1014115149.db2.gz DMVWXYMWPAJVQZ-AWEZNQCLSA-N 2 0 318.461 3.938 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000153782319 1014118872 /nfs/dbraw/zinc/11/88/72/1014118872.db2.gz YOHQRYCQNQBBTN-QUCCMNQESA-N 2 0 316.489 3.618 20 0 DHADRP Cc1cc(F)ccc1-c1ccc(CN2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000125504058 1014120993 /nfs/dbraw/zinc/12/09/93/1014120993.db2.gz YGDFETZJHHCSHX-HNNXBMFYSA-N 2 0 316.420 3.778 20 0 DHADRP Cc1cc(F)ccc1-c1ccc(CN2CC[C@H](C[NH+](C)C)C2)o1 ZINC000125503749 1014121023 /nfs/dbraw/zinc/12/10/23/1014121023.db2.gz YGDFETZJHHCSHX-OAHLLOKOSA-N 2 0 316.420 3.778 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000423428029 1027546022 /nfs/dbraw/zinc/54/60/22/1027546022.db2.gz IWNZTWDODIVBOC-GHMZBOCLSA-N 2 0 317.246 3.756 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc2)cc1 ZINC000580551298 1014216010 /nfs/dbraw/zinc/21/60/10/1014216010.db2.gz IVLQZKRXMOFWHJ-HXUWFJFHSA-N 2 0 324.468 3.745 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C[C@H](C)O1 ZINC001167424370 1014254631 /nfs/dbraw/zinc/25/46/31/1014254631.db2.gz HSKWCKQQXXLHCD-UHZRXMQZSA-N 2 0 322.537 3.776 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000580708641 1014298778 /nfs/dbraw/zinc/29/87/78/1014298778.db2.gz COWMLYMCGCKRSJ-YSSFQJQWSA-N 2 0 309.457 3.917 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000427599902 1014358103 /nfs/dbraw/zinc/35/81/03/1014358103.db2.gz QPOKBKCRFIHUPN-HXUWFJFHSA-N 2 0 302.506 3.964 20 0 DHADRP CC(C)[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1nc2ccccc2[nH]1 ZINC000154381412 1014376456 /nfs/dbraw/zinc/37/64/56/1014376456.db2.gz BNKJKUNODVFNSM-RDTXWAMCSA-N 2 0 314.477 3.580 20 0 DHADRP C[C@@H]1CC([NH2+]C2CC(F)(F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007752 1014438299 /nfs/dbraw/zinc/43/82/99/1014438299.db2.gz UHNFCDWCPMLIPK-ZIAGYGMSSA-N 2 0 308.416 3.815 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427839489 1014536593 /nfs/dbraw/zinc/53/65/93/1014536593.db2.gz DYTYBTYMGGZPMO-GJYPPUQNSA-N 2 0 306.469 3.857 20 0 DHADRP Cc1c(Cl)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)nc2ccccc12 ZINC000262029691 1014546462 /nfs/dbraw/zinc/54/64/62/1014546462.db2.gz YOGQTHSSADEWLA-ZIAGYGMSSA-N 2 0 317.864 3.756 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000427954950 1014558673 /nfs/dbraw/zinc/55/86/73/1014558673.db2.gz CNCQTLSQLYOSLU-NXHRZFHOSA-N 2 0 308.510 3.577 20 0 DHADRP CSCCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011095 1014572169 /nfs/dbraw/zinc/57/21/69/1014572169.db2.gz MNBQDENPZXTMOS-HOTGVXAUSA-N 2 0 306.519 3.771 20 0 DHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC2CCC2)cc1 ZINC000656410582 1014580494 /nfs/dbraw/zinc/58/04/94/1014580494.db2.gz XFLNZHOXIKWILI-BQJUDKOJSA-N 2 0 310.485 3.629 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)O2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012537 1014608152 /nfs/dbraw/zinc/60/81/52/1014608152.db2.gz BUVSLGNWULBOMJ-NBMJBFSESA-N 2 0 316.489 3.585 20 0 DHADRP C[C@H]1CC([NH2+]C2CCSCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012596 1014615108 /nfs/dbraw/zinc/61/51/08/1014615108.db2.gz CODWWQJMAHZSQH-HOTGVXAUSA-N 2 0 318.530 3.913 20 0 DHADRP COc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976604 1014615699 /nfs/dbraw/zinc/61/56/99/1014615699.db2.gz FJWLCIGMMDDRPZ-UHFFFAOYSA-N 2 0 312.457 3.825 20 0 DHADRP CCCC[C@@H](C)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000581216088 1014617711 /nfs/dbraw/zinc/61/77/11/1014617711.db2.gz YGGCOEWXHPENEM-MOPGFXCFSA-N 2 0 323.569 3.741 20 0 DHADRP Clc1ccc2c(c1)[C@@H](NCC13CC(C1)C[NH2+]3)CCCS2 ZINC000665277897 1014652772 /nfs/dbraw/zinc/65/27/72/1014652772.db2.gz ORKYCHPUCQXVFM-WMEQCIOUSA-N 2 0 308.878 3.609 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000581261699 1014657678 /nfs/dbraw/zinc/65/76/78/1014657678.db2.gz NJMIIJJDGDHHME-INIZCTEOSA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC1CCC1)[C@H](C)c1ccccc1 ZINC001167454422 1014704712 /nfs/dbraw/zinc/70/47/12/1014704712.db2.gz WABPZEZMJWQVOO-YLJYHZDGSA-N 2 0 318.505 3.551 20 0 DHADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000442807406 1014732964 /nfs/dbraw/zinc/73/29/64/1014732964.db2.gz DWZHABNFNLEAPG-BVBHFADKSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C(C)C ZINC000442794310 1014736113 /nfs/dbraw/zinc/73/61/13/1014736113.db2.gz RUPDHAOMPCQQPR-MRXNPFEDSA-N 2 0 313.489 3.734 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H](CCCO)c2ccccc2)CC1 ZINC000925121427 1014785721 /nfs/dbraw/zinc/78/57/21/1014785721.db2.gz DPUSCQJEDHAHRW-HXUWFJFHSA-N 2 0 318.505 3.600 20 0 DHADRP CS[C@@H](C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001279485102 1014786961 /nfs/dbraw/zinc/78/69/61/1014786961.db2.gz AIBCHLSCXUSHGG-RYQLBKOJSA-N 2 0 321.534 3.681 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(-c2ccncc2)c1 ZINC000349406448 1014787372 /nfs/dbraw/zinc/78/73/72/1014787372.db2.gz LMQRQSQQFVPBPR-UHFFFAOYSA-N 2 0 311.473 3.912 20 0 DHADRP COc1ccccc1/C=C/C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521818289 1014808811 /nfs/dbraw/zinc/80/88/11/1014808811.db2.gz FLFANWLKMORVBX-ULJNDFNZSA-N 2 0 316.489 3.666 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000124029489 1014820838 /nfs/dbraw/zinc/82/08/38/1014820838.db2.gz DMKDQUWYCDBLHQ-HXUWFJFHSA-N 2 0 312.457 3.868 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2ccccc2n1 ZINC000390303914 1014860711 /nfs/dbraw/zinc/86/07/11/1014860711.db2.gz DLHWJVSJRKSESG-VQIMIIECSA-N 2 0 309.457 3.507 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000474063185 1014938891 /nfs/dbraw/zinc/93/88/91/1014938891.db2.gz GOYOGLMWDSHFRX-CLCXKQKWSA-N 2 0 314.473 3.634 20 0 DHADRP CCO[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001167467578 1014960635 /nfs/dbraw/zinc/96/06/35/1014960635.db2.gz LQZRCXVIQIUTJZ-HXUWFJFHSA-N 2 0 316.489 3.673 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)ccc2c1 ZINC000581575548 1015005732 /nfs/dbraw/zinc/00/57/32/1015005732.db2.gz VJEUKIGCHYZTCQ-CTNGQTDRSA-N 2 0 324.468 3.765 20 0 DHADRP CC(C)[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000474106219 1015024768 /nfs/dbraw/zinc/02/47/68/1015024768.db2.gz MVSNGLKBEHBKOB-HXUWFJFHSA-N 2 0 300.490 3.986 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCSCC(C)C)CC1 ZINC000443635626 1015048855 /nfs/dbraw/zinc/04/88/55/1015048855.db2.gz ZACVSVDJSBNBPZ-UHFFFAOYSA-N 2 0 300.556 3.820 20 0 DHADRP C[N@@H+]1CCC2(C1)CC[NH+](CCC(C)(C)c1ccccc1)CC2 ZINC001279507988 1015048845 /nfs/dbraw/zinc/04/88/45/1015048845.db2.gz CVNKPWPOILGTNP-UHFFFAOYSA-N 2 0 300.490 3.772 20 0 DHADRP CCCc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000443677653 1015106045 /nfs/dbraw/zinc/10/60/45/1015106045.db2.gz YNGWZDPXMANNIG-DLBZAZTESA-N 2 0 309.457 3.648 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(N)c1 ZINC000656787775 1015162979 /nfs/dbraw/zinc/16/29/79/1015162979.db2.gz UUSNQWWTBPABBG-UHFFFAOYSA-N 2 0 311.473 3.517 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC3([NH3+])CCCC3)CC2)cc1 ZINC000656789773 1015163321 /nfs/dbraw/zinc/16/33/21/1015163321.db2.gz XYPLXGAVOFUSMO-UHFFFAOYSA-N 2 0 302.462 3.583 20 0 DHADRP [NH3+]C1(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCCC1 ZINC000656789129 1015163464 /nfs/dbraw/zinc/16/34/64/1015163464.db2.gz KERANYUYSATBAS-UHFFFAOYSA-N 2 0 308.469 3.702 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccccc1CC(F)(F)F)C1CC1 ZINC000631155687 1015188502 /nfs/dbraw/zinc/18/85/02/1015188502.db2.gz QZLPDNSYIOBNLY-UHFFFAOYSA-N 2 0 314.395 3.755 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000629519180 1015235377 /nfs/dbraw/zinc/23/53/77/1015235377.db2.gz QSAOGACBSDMCHD-KRWDZBQOSA-N 2 0 303.494 3.731 20 0 DHADRP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)c1 ZINC000581726612 1015276883 /nfs/dbraw/zinc/27/68/83/1015276883.db2.gz VEXKFILHDDAJGW-HUUCEWRRSA-N 2 0 316.445 3.596 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000581752780 1015297008 /nfs/dbraw/zinc/29/70/08/1015297008.db2.gz STQCMJMILXKDLI-UHFFFAOYSA-N 2 0 300.446 3.987 20 0 DHADRP C[NH+](C)CC[C@@H](Nc1cc[nH+]c2cc(F)ccc12)c1cccnc1 ZINC000895892466 1015349337 /nfs/dbraw/zinc/34/93/37/1015349337.db2.gz QHAQKTIGLAFPAQ-QGZVFWFLSA-N 2 0 324.403 3.874 20 0 DHADRP C[NH+](C)CCOc1ccc(C[N@H+](CC2CC2)CC2CCC2)cc1 ZINC000684428755 1015363550 /nfs/dbraw/zinc/36/35/50/1015363550.db2.gz DQYQGNPEVNBFDS-UHFFFAOYSA-N 2 0 316.489 3.639 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474462960 1015380007 /nfs/dbraw/zinc/38/00/07/1015380007.db2.gz WUHQVHMARWHNRN-WOJBJXKFSA-N 2 0 323.569 3.599 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474607049 1015484833 /nfs/dbraw/zinc/48/48/33/1015484833.db2.gz OAXVIAZQXWXOHN-HKUYNNGSSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1cccnc1CCC[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000453308005 1015550828 /nfs/dbraw/zinc/55/08/28/1015550828.db2.gz MLPJIGCGQXFQPP-CTNGQTDRSA-N 2 0 323.484 3.748 20 0 DHADRP C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCO1 ZINC001168042037 1015621521 /nfs/dbraw/zinc/62/15/21/1015621521.db2.gz YBCQKSQVTRLEHX-WWNBULGVSA-N 2 0 316.489 3.585 20 0 DHADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC000645492543 1015624213 /nfs/dbraw/zinc/62/42/13/1015624213.db2.gz AXBCVDCKVZWBHV-GOSISDBHSA-N 2 0 306.881 3.663 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000341716326 1015695255 /nfs/dbraw/zinc/69/52/55/1015695255.db2.gz WZMVFZAFFNAIND-LJQANCHMSA-N 2 0 304.453 3.915 20 0 DHADRP COCCCC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000684558027 1015736624 /nfs/dbraw/zinc/73/66/24/1015736624.db2.gz UZMRYTTYLIBIGL-XLIONFOSSA-N 2 0 318.505 3.864 20 0 DHADRP Cc1ccc([C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000684557812 1015737388 /nfs/dbraw/zinc/73/73/88/1015737388.db2.gz JDXQZHVATBMXRC-LAUBAEHRSA-N 2 0 323.484 3.799 20 0 DHADRP C[N@@H+](Cc1ccc(C(F)F)c(F)c1)CC1CC[NH+](C)CC1 ZINC000891934085 1015766693 /nfs/dbraw/zinc/76/66/93/1015766693.db2.gz QGBXGSXMRQVEGR-UHFFFAOYSA-N 2 0 300.368 3.537 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccccc2)c2ccc(O)cc2)CC1 ZINC001168304255 1032129074 /nfs/dbraw/zinc/12/90/74/1032129074.db2.gz RBQNBSBZTAHNSM-GRERDSQWSA-N 2 0 324.468 3.944 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC000657182754 1015971058 /nfs/dbraw/zinc/97/10/58/1015971058.db2.gz NRDLDAGQURSHQW-CQSZACIVSA-N 2 0 317.864 3.710 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000151036345 1016015352 /nfs/dbraw/zinc/01/53/52/1016015352.db2.gz HJXSMLVEEFCZIY-JSGCOSHPSA-N 2 0 319.836 3.519 20 0 DHADRP COc1ccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000132242270 1016075197 /nfs/dbraw/zinc/07/51/97/1016075197.db2.gz OUBMUDRVAROVQV-UHFFFAOYSA-N 2 0 316.489 3.624 20 0 DHADRP FC(F)Oc1cccc(Cl)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666902434 1032140001 /nfs/dbraw/zinc/14/00/01/1032140001.db2.gz WROQFKWGASDXCU-LLVKDONJSA-N 2 0 318.795 3.563 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC000178500576 1017178886 /nfs/dbraw/zinc/17/88/86/1017178886.db2.gz XTHFEDAYWGBCND-MJGOQNOKSA-N 2 0 310.526 3.683 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657311985 1016294727 /nfs/dbraw/zinc/29/47/27/1016294727.db2.gz ARGDCBHNPBLQOM-UHFFFAOYSA-N 2 0 314.395 3.706 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657312512 1016300943 /nfs/dbraw/zinc/30/09/43/1016300943.db2.gz KBNGIISWLYRXNX-HUUCEWRRSA-N 2 0 317.502 3.754 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000582018874 1016302705 /nfs/dbraw/zinc/30/27/05/1016302705.db2.gz IPSABVYWGSEHHF-RCDYEMGKSA-N 2 0 304.478 3.650 20 0 DHADRP C[C@H](C[NH2+]Cc1cc2ccncc2s1)C[NH+]1CCCCC1 ZINC000657316573 1016319944 /nfs/dbraw/zinc/31/99/44/1016319944.db2.gz HVKORQCIWDZFTC-CQSZACIVSA-N 2 0 303.475 3.508 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000657335221 1016360263 /nfs/dbraw/zinc/36/02/63/1016360263.db2.gz NNSZUMOJIGNFET-KRWDZBQOSA-N 2 0 304.478 3.604 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000346463640 1016409175 /nfs/dbraw/zinc/40/91/75/1016409175.db2.gz QEEQVUMGPDLWRA-FXAWDEMLSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCCO1 ZINC000346500164 1016422074 /nfs/dbraw/zinc/42/20/74/1016422074.db2.gz UEOPALLTQGSPSR-PXNSSMCTSA-N 2 0 316.489 3.576 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC[C@@H]2CCCO2)CC1)CC(C)C ZINC000346543434 1016447787 /nfs/dbraw/zinc/44/77/87/1016447787.db2.gz FNMQIOBTQPSGBL-IBGZPJMESA-N 2 0 310.526 3.636 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000629515010 1033970397 /nfs/dbraw/zinc/97/03/97/1033970397.db2.gz OUAXRGUQVSZKKW-UARNIUSMSA-N 2 0 311.267 3.568 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000346635407 1016493560 /nfs/dbraw/zinc/49/35/60/1016493560.db2.gz GXNGGZOCCKYDGD-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP CCOc1ccc(C[NH2+]CCC2CC[NH+](CC)CC2)c(C)c1 ZINC000657376594 1016533894 /nfs/dbraw/zinc/53/38/94/1016533894.db2.gz MRRTXXQFLDWSJV-UHFFFAOYSA-N 2 0 304.478 3.605 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000171129984 1016536342 /nfs/dbraw/zinc/53/63/42/1016536342.db2.gz QQYPPKYYNKGZAQ-LBPRGKRZSA-N 2 0 303.475 3.672 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152376853 1016574564 /nfs/dbraw/zinc/57/45/64/1016574564.db2.gz HCMBQCIZDYVTGR-GUYCJALGSA-N 2 0 320.864 3.628 20 0 DHADRP C[NH+]1CCC(C[NH2+]C(c2cccs2)c2cccs2)CC1 ZINC000044516713 1016612254 /nfs/dbraw/zinc/61/22/54/1016612254.db2.gz DOWZJAGYCBVKEK-UHFFFAOYSA-N 2 0 306.500 3.830 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207287052 1016619304 /nfs/dbraw/zinc/61/93/04/1016619304.db2.gz WXAOMHHQJALITH-SFHVURJKSA-N 2 0 304.478 3.810 20 0 DHADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000347096907 1016729300 /nfs/dbraw/zinc/72/93/00/1016729300.db2.gz IMIPCXODZMDBBC-CYBMUJFWSA-N 2 0 304.434 3.725 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000347161654 1016766830 /nfs/dbraw/zinc/76/68/30/1016766830.db2.gz HFSPRGYFSVPBNF-UHFFFAOYSA-N 2 0 319.474 3.533 20 0 DHADRP COCCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC000281899017 1016790164 /nfs/dbraw/zinc/79/01/64/1016790164.db2.gz HSTHQNZRSOKTOP-SFHVURJKSA-N 2 0 310.457 3.613 20 0 DHADRP CC[C@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[NH+](CC)CC ZINC000347232441 1016798578 /nfs/dbraw/zinc/79/85/78/1016798578.db2.gz MQXAOQDAPACYOR-GOSISDBHSA-N 2 0 319.493 3.587 20 0 DHADRP C[C@@H]1CC(F)(F)CC[NH+]1C/C=C\C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980187 1016851361 /nfs/dbraw/zinc/85/13/61/1016851361.db2.gz HOGHGMOXSUKMJH-LQOBQMSGSA-N 2 0 322.390 3.782 20 0 DHADRP Clc1ccc(CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000671300565 1016893578 /nfs/dbraw/zinc/89/35/78/1016893578.db2.gz DJHNMPDEZUYGJD-KBPBESRZSA-N 2 0 312.910 3.941 20 0 DHADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671302478 1016902829 /nfs/dbraw/zinc/90/28/29/1016902829.db2.gz OMFDRHJOSHQSSW-INIZCTEOSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]1CC(N2CCC[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053096 1016916567 /nfs/dbraw/zinc/91/65/67/1016916567.db2.gz MSVBCHWZPHQNJB-NUJGCVRESA-N 2 0 304.453 3.862 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CCC2 ZINC000657471680 1016948546 /nfs/dbraw/zinc/94/85/46/1016948546.db2.gz CTQGJMJLYBQMHB-HXUWFJFHSA-N 2 0 318.424 3.743 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccc(F)cc2)CC1(C)C ZINC000623338351 1016967520 /nfs/dbraw/zinc/96/75/20/1016967520.db2.gz WFBJSBAOUUWRHF-HNNXBMFYSA-N 2 0 310.482 3.770 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000379968388 1016977498 /nfs/dbraw/zinc/97/74/98/1016977498.db2.gz MJKCDGPVVWIXEC-VQTJNVASSA-N 2 0 324.468 3.668 20 0 DHADRP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623358893 1016986562 /nfs/dbraw/zinc/98/65/62/1016986562.db2.gz XSVNXCZBFIWJRY-WBVHZDCISA-N 2 0 304.478 3.997 20 0 DHADRP Cc1ccc(Cl)c(CC[NH2+]C2CCC([NH+](C)C)CC2)c1F ZINC001168306039 1032152831 /nfs/dbraw/zinc/15/28/31/1032152831.db2.gz YECMOFZXUPQOKU-UHFFFAOYSA-N 2 0 312.860 3.792 20 0 DHADRP Fc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000380075410 1017017771 /nfs/dbraw/zinc/01/77/71/1017017771.db2.gz CWEXMVOZTWICJE-UXHICEINSA-N 2 0 324.443 3.780 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)c2ccccc21 ZINC000152798386 1017014260 /nfs/dbraw/zinc/01/42/60/1017014260.db2.gz ANIQDUWIMPLKRJ-BEFAXECRSA-N 2 0 309.457 3.990 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185563673 1017014498 /nfs/dbraw/zinc/01/44/98/1017014498.db2.gz AFMXMRSFSCDLAI-CYBMUJFWSA-N 2 0 310.869 3.818 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2c(C)cccc2C)C[C@H]1C ZINC001167589887 1017040979 /nfs/dbraw/zinc/04/09/79/1017040979.db2.gz JPOZMWFXNWHTRT-MOPGFXCFSA-N 2 0 318.505 3.877 20 0 DHADRP COc1ccc([C@@H](C)CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623430092 1017041361 /nfs/dbraw/zinc/04/13/61/1017041361.db2.gz ARHNYRPKXYTIJL-DOTOQJQBSA-N 2 0 304.478 3.651 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCC(F)(F)CC1 ZINC000475191028 1017059616 /nfs/dbraw/zinc/05/96/16/1017059616.db2.gz IEIHQXCFTBJJAR-ZDUSSCGKSA-N 2 0 300.437 3.664 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000361972743 1032178788 /nfs/dbraw/zinc/17/87/88/1032178788.db2.gz TZZWGKZZVLBWOF-LMMKCTJWSA-N 2 0 304.478 3.999 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000282001473 1017227302 /nfs/dbraw/zinc/22/73/02/1017227302.db2.gz DALNDDNNDOMBDZ-OAHLLOKOSA-N 2 0 313.445 3.859 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001168315512 1032225378 /nfs/dbraw/zinc/22/53/78/1032225378.db2.gz XJQFDQPRJWPLGD-UHFFFAOYSA-N 2 0 312.501 3.839 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000118958155 1032255706 /nfs/dbraw/zinc/25/57/06/1032255706.db2.gz WJCUWGFYMLZQCA-PBHICJAKSA-N 2 0 308.897 3.839 20 0 DHADRP FC(F)(F)c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cs1 ZINC000623509041 1017074729 /nfs/dbraw/zinc/07/47/29/1017074729.db2.gz QRNFIPKXBJFYHY-UHFFFAOYSA-N 2 0 318.408 3.731 20 0 DHADRP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC)cc1 ZINC000362203304 1032268895 /nfs/dbraw/zinc/26/88/95/1032268895.db2.gz VCDYMXLSYAQAOH-LNLFQRSKSA-N 2 0 302.462 3.753 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001168324371 1032271770 /nfs/dbraw/zinc/27/17/70/1032271770.db2.gz MXQRKFHCXUVGHA-UHFFFAOYSA-N 2 0 323.278 3.638 20 0 DHADRP CC(C)OC(=O)CC[C@@H](C)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172749392 1033339035 /nfs/dbraw/zinc/33/90/35/1033339035.db2.gz ANLLGKVTTSEJKT-JFIYKMOQSA-N 2 0 324.509 3.621 20 0 DHADRP [NH3+]CCc1cc2ccccc2n1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001171305693 1032310729 /nfs/dbraw/zinc/31/07/29/1032310729.db2.gz VHJDADOUIMRLPV-LJQANCHMSA-N 2 0 305.425 3.556 20 0 DHADRP C[N@@H+]1CC[C@@H](c2ccc(-n3c(CC[NH3+])cc4ccccc43)cc2)C1 ZINC001171310799 1032315929 /nfs/dbraw/zinc/31/59/29/1032315929.db2.gz FHANYUCVYLODTC-GOSISDBHSA-N 2 0 319.452 3.551 20 0 DHADRP CC[C@H]1C[C@H](N(C)Cc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246989519 1032345126 /nfs/dbraw/zinc/34/51/26/1032345126.db2.gz SZBRJGITZWWJDX-LSDHHAIUSA-N 2 0 301.261 3.956 20 0 DHADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120886403 1032393881 /nfs/dbraw/zinc/39/38/81/1032393881.db2.gz MEKDYDNFSSLEGQ-VBKZILBWSA-N 2 0 312.432 3.910 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340082 1032449576 /nfs/dbraw/zinc/44/95/76/1032449576.db2.gz HQBNBULWDJOXNC-HNNXBMFYSA-N 2 0 322.443 3.802 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348098257 1032460592 /nfs/dbraw/zinc/46/05/92/1032460592.db2.gz AEJLMHZSGOXFOC-LSDHHAIUSA-N 2 0 323.456 3.535 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348098601 1032461302 /nfs/dbraw/zinc/46/13/02/1032461302.db2.gz UHBMVMUQJHSSKP-HLIPFELVSA-N 2 0 312.457 3.711 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1csc(C(F)(F)F)c1)C1CC1 ZINC000623544781 1017096116 /nfs/dbraw/zinc/09/61/16/1017096116.db2.gz KXOVRYSEZCFKTR-UHFFFAOYSA-N 2 0 306.397 3.731 20 0 DHADRP CSC1(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000390768228 1032507000 /nfs/dbraw/zinc/50/70/00/1032507000.db2.gz HAAWITBZLFBSRB-SFHVURJKSA-N 2 0 318.530 3.774 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171361409 1032516232 /nfs/dbraw/zinc/51/62/32/1032516232.db2.gz XQCCMYBLXABHQD-RHSMWYFYSA-N 2 0 322.443 3.663 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000122322888 1032534073 /nfs/dbraw/zinc/53/40/73/1032534073.db2.gz RHQFZGSHSYHJIS-VQIMIIECSA-N 2 0 316.489 3.955 20 0 DHADRP Cc1ncccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000093844588 1032560025 /nfs/dbraw/zinc/56/00/25/1032560025.db2.gz HZOJOSDJRLIZIQ-KRWDZBQOSA-N 2 0 315.505 3.867 20 0 DHADRP [NH3+]C[C@@H]1COc2ccccc2N1c1cc[nH+]cc1-c1ccccc1 ZINC001171393279 1032577555 /nfs/dbraw/zinc/57/75/55/1032577555.db2.gz KACAOBMSHZXKFF-MRXNPFEDSA-N 2 0 317.392 3.606 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3c(F)cccc3C2)c1 ZINC001171398397 1032584865 /nfs/dbraw/zinc/58/48/65/1032584865.db2.gz XRIADOGNBWSDLB-SFHVURJKSA-N 2 0 312.432 3.534 20 0 DHADRP CC(C)CCc1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424300545 1011963767 /nfs/dbraw/zinc/96/37/67/1011963767.db2.gz WQZNLSMBZKLNDY-HNNXBMFYSA-N 2 0 321.534 3.696 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3CC[NH+](CCC(C)C)CC3)C[C@H]2C1 ZINC000424324450 1011979019 /nfs/dbraw/zinc/97/90/19/1011979019.db2.gz WSTBMYDDUYOYPI-AVCFWEGKSA-N 2 0 322.537 3.538 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475279913 1017103816 /nfs/dbraw/zinc/10/38/16/1017103816.db2.gz ZHQJQPUSIZDJJT-HSALFYBXSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccccn3)c1)CC[NH2+]CC2 ZINC000424384819 1012017682 /nfs/dbraw/zinc/01/76/82/1012017682.db2.gz VRQUNBBAOGPLOZ-QGZVFWFLSA-N 2 0 321.468 3.713 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc3cc(F)ccc3o1)CC[NH2+]CC2 ZINC000424384749 1012018509 /nfs/dbraw/zinc/01/85/09/1012018509.db2.gz VMXUXUUAZOXBBN-CYBMUJFWSA-N 2 0 302.393 3.536 20 0 DHADRP CCc1ccccc1[C@H](N)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000643543641 1012049470 /nfs/dbraw/zinc/04/94/70/1012049470.db2.gz RXLSDEGULBNRID-YFVAEKQCSA-N 2 0 323.484 3.960 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(OC(F)F)c1 ZINC000643546457 1012097017 /nfs/dbraw/zinc/09/70/17/1012097017.db2.gz PCVKLNISXBNSJV-OCCSQVGLSA-N 2 0 310.388 3.613 20 0 DHADRP c1ccc(CC(Cc2ccccc2)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953893 1032603484 /nfs/dbraw/zinc/60/34/84/1032603484.db2.gz KKLZIZFJBLNFGP-OAQYLSRUSA-N 2 0 320.480 3.572 20 0 DHADRP CC[N@@H+]1CC[C@H](CN[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000124157742 1012216902 /nfs/dbraw/zinc/21/69/02/1012216902.db2.gz ZCDZPNZCLNFRBT-UZLBHIALSA-N 2 0 312.432 3.847 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000666955530 1032612260 /nfs/dbraw/zinc/61/22/60/1032612260.db2.gz WUCTXIGLMHBQPL-WFASDCNBSA-N 2 0 312.379 3.541 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171415264 1032616472 /nfs/dbraw/zinc/61/64/72/1032616472.db2.gz ZXHDNECDMIWOEO-BZSNNMDCSA-N 2 0 316.464 3.665 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCSC(C)C)CC1 ZINC000514240332 1012308666 /nfs/dbraw/zinc/30/86/66/1012308666.db2.gz AJSORSDYHVZUHP-UHFFFAOYSA-N 2 0 300.556 3.962 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000281295270 1012329815 /nfs/dbraw/zinc/32/98/15/1012329815.db2.gz QSMLNDJXLDLBQY-QZTJIDSGSA-N 2 0 303.494 3.736 20 0 DHADRP Fc1cccc2c1CC[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001171412460 1032618792 /nfs/dbraw/zinc/61/87/92/1032618792.db2.gz XIJBFTROCNDRBM-QGZVFWFLSA-N 2 0 316.464 3.537 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001172849163 1033421711 /nfs/dbraw/zinc/42/17/11/1033421711.db2.gz JZEKAVUXPOCTRG-MCIONIFRSA-N 2 0 312.860 3.873 20 0 DHADRP C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000514824906 1012450571 /nfs/dbraw/zinc/45/05/71/1012450571.db2.gz CFQXBIDITLEFKJ-BPUTZDHNSA-N 2 0 314.395 3.700 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000514839715 1012457234 /nfs/dbraw/zinc/45/72/34/1012457234.db2.gz GFITUCYMDXSPGF-HNNXBMFYSA-N 2 0 300.446 3.685 20 0 DHADRP Cc1ccc(C)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167958704 1012468167 /nfs/dbraw/zinc/46/81/67/1012468167.db2.gz IWSYQZHTGSSGNM-SEJPIABJSA-N 2 0 312.501 3.841 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000425376721 1012511061 /nfs/dbraw/zinc/51/10/61/1012511061.db2.gz FQBPDMWOGJARNA-GUDVDZBRSA-N 2 0 318.530 3.772 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)[C@H](C)C1 ZINC000514956818 1012521164 /nfs/dbraw/zinc/52/11/64/1012521164.db2.gz ULUKYJDEWQBMHD-AEFFLSMTSA-N 2 0 310.526 3.539 20 0 DHADRP c1ccc(OCCCCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000515176158 1012574866 /nfs/dbraw/zinc/57/48/66/1012574866.db2.gz AGTRPEFSETWNAG-LJQANCHMSA-N 2 0 316.489 3.557 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000515251209 1012586487 /nfs/dbraw/zinc/58/64/87/1012586487.db2.gz CVYQFWLIXGYLHC-HKUYNNGSSA-N 2 0 310.526 3.636 20 0 DHADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1C ZINC001167960754 1012739605 /nfs/dbraw/zinc/73/96/05/1012739605.db2.gz BMYNUUPFDODZAJ-SEJPIABJSA-N 2 0 312.501 3.841 20 0 DHADRP CCC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000601279402 1012793565 /nfs/dbraw/zinc/79/35/65/1012793565.db2.gz FNOMQWFVMKXDLF-MRXNPFEDSA-N 2 0 321.534 3.648 20 0 DHADRP C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cccc(Br)c1 ZINC000037141002 1012836418 /nfs/dbraw/zinc/83/64/18/1012836418.db2.gz JWXSYZMTEYDXSS-LBPRGKRZSA-N 2 0 323.278 3.727 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000516877774 1012854362 /nfs/dbraw/zinc/85/43/62/1012854362.db2.gz LZNDKGGKMJUWMF-RTWAWAEBSA-N 2 0 324.468 3.763 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCCC1 ZINC000425921460 1012955144 /nfs/dbraw/zinc/95/51/44/1012955144.db2.gz LPXWCAUYYLOQTE-HNAYVOBHSA-N 2 0 304.478 3.714 20 0 DHADRP Fc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000537696322 1032675876 /nfs/dbraw/zinc/67/58/76/1032675876.db2.gz GYSSHABFSGTNKA-RDTXWAMCSA-N 2 0 322.855 3.928 20 0 DHADRP Cc1ccccc1-c1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000425981769 1013042177 /nfs/dbraw/zinc/04/21/77/1013042177.db2.gz OMEOVMFULCYIAS-BGYRXZFFSA-N 2 0 306.453 3.655 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCOc3c4ccccc4ccc32)CC1 ZINC000366691966 1013044230 /nfs/dbraw/zinc/04/42/30/1013044230.db2.gz CLFBAUTZUNMPQF-HXUWFJFHSA-N 2 0 322.452 3.905 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178041135 1017152348 /nfs/dbraw/zinc/15/23/48/1017152348.db2.gz ISDFNPZJDFOPKA-KSZLIROESA-N 2 0 304.478 3.535 20 0 DHADRP C[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064655 1017215967 /nfs/dbraw/zinc/21/59/67/1017215967.db2.gz RAZWXSWOYASTPU-XNLSJYNFSA-N 2 0 316.464 3.575 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000076004038 1017359883 /nfs/dbraw/zinc/35/98/83/1017359883.db2.gz WVIMCBOVJWCKIV-INIZCTEOSA-N 2 0 313.445 3.505 20 0 DHADRP CC(C)c1ccc(CC[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475555101 1017426431 /nfs/dbraw/zinc/42/64/31/1017426431.db2.gz KKQCOKUHCSVSBI-UHFFFAOYSA-N 2 0 300.490 3.959 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000475575975 1017452496 /nfs/dbraw/zinc/45/24/96/1017452496.db2.gz UIPLNOINWOFKHY-ZUJMUWTESA-N 2 0 304.400 3.714 20 0 DHADRP CSCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716679643 1032702300 /nfs/dbraw/zinc/70/23/00/1032702300.db2.gz FHTJVZVVZVIWEL-OTWHNJEPSA-N 2 0 318.530 3.772 20 0 DHADRP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000623825656 1017523015 /nfs/dbraw/zinc/52/30/15/1017523015.db2.gz IACXXXHMQNRSRM-CYBMUJFWSA-N 2 0 304.400 3.573 20 0 DHADRP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073662 1017531285 /nfs/dbraw/zinc/53/12/85/1017531285.db2.gz CTTKCIRLACJIBW-AOIWGVFYSA-N 2 0 316.489 3.999 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)CN1C1CC1 ZINC000623834418 1017531490 /nfs/dbraw/zinc/53/14/90/1017531490.db2.gz XQBDVXMXLWLNND-GXTWGEPZSA-N 2 0 317.864 3.579 20 0 DHADRP c1ccc(SC2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339068622 1017532814 /nfs/dbraw/zinc/53/28/14/1017532814.db2.gz RVDDNQVUVXLEKJ-CVEARBPZSA-N 2 0 302.487 3.528 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)C1 ZINC000657613518 1017571465 /nfs/dbraw/zinc/57/14/65/1017571465.db2.gz MHTUPSRGKDSOSQ-YRWFTTLQSA-N 2 0 315.505 3.708 20 0 DHADRP Cc1cccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C(C)C)c1 ZINC000623891048 1017572012 /nfs/dbraw/zinc/57/20/12/1017572012.db2.gz BRKIKWWETNWHOG-WOJBJXKFSA-N 2 0 318.505 3.519 20 0 DHADRP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000444570774 1017576067 /nfs/dbraw/zinc/57/60/67/1017576067.db2.gz OYNZFJSICKHHBR-LJQANCHMSA-N 2 0 300.490 3.988 20 0 DHADRP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444609211 1017588781 /nfs/dbraw/zinc/58/87/81/1017588781.db2.gz ASKZHLRLIYHQCX-CRAIPNDOSA-N 2 0 324.896 3.882 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000353643589 1017613240 /nfs/dbraw/zinc/61/32/40/1017613240.db2.gz ADWMTUJBQCJXBZ-VMBOVVBDSA-N 2 0 306.425 3.502 20 0 DHADRP C[C@@H](NC[C@H](C)C[NH+](C)C)c1ccc(F)cc1C(F)(F)F ZINC000623987756 1017616379 /nfs/dbraw/zinc/61/63/79/1017616379.db2.gz NOJMZBOXYUJCLU-WDEREUQCSA-N 2 0 306.347 3.693 20 0 DHADRP C[NH+](C)Cc1cc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1Cl ZINC000623978452 1017620236 /nfs/dbraw/zinc/62/02/36/1017620236.db2.gz ULIMQACRSFTFCR-OAHLLOKOSA-N 2 0 309.885 3.686 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)[C@@H](C)C1 ZINC000624146036 1017708595 /nfs/dbraw/zinc/70/85/95/1017708595.db2.gz PDDADVLSWXAOPS-VJANTYMQSA-N 2 0 310.526 3.680 20 0 DHADRP Cn1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000125925060 1032728820 /nfs/dbraw/zinc/72/88/20/1032728820.db2.gz JTNSGMYUUFASOR-UHFFFAOYSA-N 2 0 323.440 3.540 20 0 DHADRP Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)c2cc(F)ccc2[nH+]1 ZINC000445599884 1017925876 /nfs/dbraw/zinc/92/58/76/1017925876.db2.gz JNDSLVRIJIGLCY-UHFFFAOYSA-N 2 0 313.420 3.747 20 0 DHADRP CCc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445757140 1017967106 /nfs/dbraw/zinc/96/71/06/1017967106.db2.gz GKSGITGDWNQDRH-APWZRJJASA-N 2 0 300.490 3.992 20 0 DHADRP COc1ccc(Cl)cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000841029857 1018011941 /nfs/dbraw/zinc/01/19/41/1018011941.db2.gz SVVIJEIXABAQGC-LBPRGKRZSA-N 2 0 304.821 3.658 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000183606775 1018031532 /nfs/dbraw/zinc/03/15/32/1018031532.db2.gz BLGKXPLVEFDSEN-UFYCRDLUSA-N 2 0 323.569 3.693 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000153837020 1018040455 /nfs/dbraw/zinc/04/04/55/1018040455.db2.gz ADYSEPOSYGMCRJ-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP Cc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000154003399 1018093435 /nfs/dbraw/zinc/09/34/35/1018093435.db2.gz BHXJBTOCWKUKBS-GOSISDBHSA-N 2 0 315.505 3.867 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2ccnc3ccccc23)CC1 ZINC000658127288 1018111047 /nfs/dbraw/zinc/11/10/47/1018111047.db2.gz MFASRNDKHMESTK-UHFFFAOYSA-N 2 0 311.473 3.630 20 0 DHADRP C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185747562 1018129005 /nfs/dbraw/zinc/12/90/05/1018129005.db2.gz ZFAZSRXZKBXQLT-PKOBYXMFSA-N 2 0 300.490 3.862 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171473447 1032744843 /nfs/dbraw/zinc/74/48/43/1032744843.db2.gz UGHIKAJEQGUJPY-BRWVUGGUSA-N 2 0 322.443 3.802 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657738683 1018150712 /nfs/dbraw/zinc/15/07/12/1018150712.db2.gz NANOXNBLMGUNED-HYVNUMGLSA-N 2 0 322.443 3.920 20 0 DHADRP CSc1ccc(Cl)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001238674499 1018157818 /nfs/dbraw/zinc/15/78/18/1018157818.db2.gz UEYODSVCHSBTLZ-UHFFFAOYSA-N 2 0 312.910 3.836 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000124221475 1018163662 /nfs/dbraw/zinc/16/36/62/1018163662.db2.gz QXHMUIOCFDDGMU-KRWDZBQOSA-N 2 0 316.489 3.579 20 0 DHADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261821750 1018193030 /nfs/dbraw/zinc/19/30/30/1018193030.db2.gz ARQPXKJOMBIQEX-QWHCGFSZSA-N 2 0 316.367 3.707 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000658163881 1018196589 /nfs/dbraw/zinc/19/65/89/1018196589.db2.gz LPMWWNQFAKZYMU-FQEVSTJZSA-N 2 0 315.505 3.852 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](COCc2ccccc2)C(C)C)CC1 ZINC000446753633 1018235071 /nfs/dbraw/zinc/23/50/71/1018235071.db2.gz TVUXXHXGZJPCNV-HXUWFJFHSA-N 2 0 318.505 3.692 20 0 DHADRP COC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC000446755228 1018236711 /nfs/dbraw/zinc/23/67/11/1018236711.db2.gz ZCFOJZWAFLWWBK-SCTDSRPQSA-N 2 0 310.526 3.539 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000446754552 1018238277 /nfs/dbraw/zinc/23/82/77/1018238277.db2.gz XAACAVWRAYWQIO-HXUWFJFHSA-N 2 0 316.489 3.577 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000263674293 1032751754 /nfs/dbraw/zinc/75/17/54/1032751754.db2.gz CMVXHJMBRNQBAD-UHFFFAOYSA-N 2 0 309.885 3.679 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446816803 1018254117 /nfs/dbraw/zinc/25/41/17/1018254117.db2.gz DYKQKPQODLPRAN-BXWFABGCSA-N 2 0 322.468 3.756 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2c1C ZINC000446883602 1018286851 /nfs/dbraw/zinc/28/68/51/1018286851.db2.gz IFIYKEMJBSKBIX-UHFFFAOYSA-N 2 0 311.473 3.749 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658221729 1018295206 /nfs/dbraw/zinc/29/52/06/1018295206.db2.gz UKBJJZABCBVZQF-DJIMGWMZSA-N 2 0 308.416 3.532 20 0 DHADRP CCN(CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000155855685 1018362841 /nfs/dbraw/zinc/36/28/41/1018362841.db2.gz WCXRSHCIIJOCBH-KGLIPLIRSA-N 2 0 317.502 3.862 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000764773724 1018373929 /nfs/dbraw/zinc/37/39/29/1018373929.db2.gz IXOLBVVABRDYCH-CVEARBPZSA-N 2 0 316.445 3.502 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)ccc2c1 ZINC000858090002 1032764267 /nfs/dbraw/zinc/76/42/67/1032764267.db2.gz HRGJGJKHAYVULY-GOSISDBHSA-N 2 0 312.457 3.811 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000383808187 1018438091 /nfs/dbraw/zinc/43/80/91/1018438091.db2.gz PFMKUTNHGMVHNW-WOJBJXKFSA-N 2 0 324.468 3.668 20 0 DHADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080339073 1018451260 /nfs/dbraw/zinc/45/12/60/1018451260.db2.gz WJUGKZITVVJDRZ-XLIONFOSSA-N 2 0 324.468 3.838 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000447816429 1018477239 /nfs/dbraw/zinc/47/72/39/1018477239.db2.gz KRDXJIBWCIEDTM-CQSZACIVSA-N 2 0 312.860 3.733 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000447822528 1018478975 /nfs/dbraw/zinc/47/89/75/1018478975.db2.gz QDDFCYQZJGPYJM-TZIWHRDSSA-N 2 0 322.496 3.944 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635007417 1018507725 /nfs/dbraw/zinc/50/77/25/1018507725.db2.gz DBDFUVPZBUNEGJ-SFHVURJKSA-N 2 0 310.466 3.659 20 0 DHADRP [NH3+]CCCCCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000843342443 1018516018 /nfs/dbraw/zinc/51/60/18/1018516018.db2.gz QXNNBJLIROBJCV-HNNXBMFYSA-N 2 0 311.267 3.545 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@@H]1CC[NH3+] ZINC000650710923 1018531914 /nfs/dbraw/zinc/53/19/14/1018531914.db2.gz DALYQCHZIGRZDE-OXJNMPFZSA-N 2 0 309.457 3.698 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@H]1CC[NH3+] ZINC000650711248 1018539185 /nfs/dbraw/zinc/53/91/85/1018539185.db2.gz NCZFNXWEUBDJQX-PBHICJAKSA-N 2 0 315.486 3.759 20 0 DHADRP Cc1nc2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2s1 ZINC000650712078 1018540066 /nfs/dbraw/zinc/54/00/66/1018540066.db2.gz PTAZKIWLDJUFAO-WBMJQRKESA-N 2 0 303.475 3.554 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650713097 1018546936 /nfs/dbraw/zinc/54/69/36/1018546936.db2.gz FUUQYMDUDBFVLV-MOPGFXCFSA-N 2 0 316.489 3.829 20 0 DHADRP C[C@@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000527365626 1018556308 /nfs/dbraw/zinc/55/63/08/1018556308.db2.gz KMCLFVACTYCQDS-JKSUJKDBSA-N 2 0 306.881 3.861 20 0 DHADRP C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647299433 1018568350 /nfs/dbraw/zinc/56/83/50/1018568350.db2.gz GUFVAIXUVMGQIF-UONOGXRCSA-N 2 0 300.437 3.807 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000675786962 1018591274 /nfs/dbraw/zinc/59/12/74/1018591274.db2.gz NOKFTCPIKCCPND-ICSRJNTNSA-N 2 0 300.490 3.923 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001171556060 1032774992 /nfs/dbraw/zinc/77/49/92/1032774992.db2.gz AEYNZKUVLOCPFM-LJQANCHMSA-N 2 0 312.501 3.849 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccncc1 ZINC000675927523 1018627991 /nfs/dbraw/zinc/62/79/91/1018627991.db2.gz HOJTWMULWZBJHL-SQGPQFPESA-N 2 0 315.505 3.818 20 0 DHADRP c1cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2s1 ZINC000650740836 1018628398 /nfs/dbraw/zinc/62/83/98/1018628398.db2.gz SGXHLYOCUJCYAM-YESZJQIVSA-N 2 0 300.471 3.912 20 0 DHADRP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675933875 1018632249 /nfs/dbraw/zinc/63/22/49/1018632249.db2.gz UNXMBAHLIXEQOV-IAGOWNOFSA-N 2 0 318.505 3.992 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746909 1018646883 /nfs/dbraw/zinc/64/68/83/1018646883.db2.gz NITCKPSVDGZCFF-OAHLLOKOSA-N 2 0 313.489 3.943 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000705344996 1018647808 /nfs/dbraw/zinc/64/78/08/1018647808.db2.gz XICGQIRPKYJLCL-WOJBJXKFSA-N 2 0 300.490 3.923 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CC1CC[NH+](CC(C)C)CC1)C2 ZINC001171558075 1032777422 /nfs/dbraw/zinc/77/74/22/1032777422.db2.gz CKAJUQYWCQWNAO-HXUWFJFHSA-N 2 0 314.517 3.810 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(OC)cc1 ZINC000650752162 1018665857 /nfs/dbraw/zinc/66/58/57/1018665857.db2.gz KUAVCQURVVRCRG-GOSISDBHSA-N 2 0 302.393 3.534 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753057 1018669102 /nfs/dbraw/zinc/66/91/02/1018669102.db2.gz FUPHKQZUGLBSMU-BUXKBTBVSA-N 2 0 316.395 3.837 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c(F)c1 ZINC000650753921 1018677229 /nfs/dbraw/zinc/67/72/29/1018677229.db2.gz YKGWMHBQTLGFLQ-KRWDZBQOSA-N 2 0 304.796 3.715 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c(F)c1 ZINC000650754604 1018679248 /nfs/dbraw/zinc/67/92/48/1018679248.db2.gz MKNSXHUWJVLPKY-SFHVURJKSA-N 2 0 302.368 3.591 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c(F)c1 ZINC000650754271 1018682234 /nfs/dbraw/zinc/68/22/34/1018682234.db2.gz FESWTQAERVEJFD-LJQANCHMSA-N 2 0 323.415 3.933 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000650756561 1018686440 /nfs/dbraw/zinc/68/64/40/1018686440.db2.gz DRCKSXDPNQSTAH-IBGZPJMESA-N 2 0 310.441 3.582 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000650757558 1018690743 /nfs/dbraw/zinc/69/07/43/1018690743.db2.gz ZWVURCVQVXETMH-IBGZPJMESA-N 2 0 312.482 3.526 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762583 1018707697 /nfs/dbraw/zinc/70/76/97/1018707697.db2.gz FESPTPAUDCKDGU-FUHWJXTLSA-N 2 0 306.881 3.955 20 0 DHADRP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762584 1018707850 /nfs/dbraw/zinc/70/78/50/1018707850.db2.gz FESPTPAUDCKDGU-SJLPKXTDSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000650763645 1018711535 /nfs/dbraw/zinc/71/15/35/1018711535.db2.gz GJZCUGOLVLWMAM-INIZCTEOSA-N 2 0 309.457 3.789 20 0 DHADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC001118057600 1018715030 /nfs/dbraw/zinc/71/50/30/1018715030.db2.gz FDBVSXNRWILZKI-STQMWFEESA-N 2 0 303.475 3.767 20 0 DHADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000676414299 1018725940 /nfs/dbraw/zinc/72/59/40/1018725940.db2.gz SOJSHZGEAMKXGG-FQEVSTJZSA-N 2 0 310.441 3.574 20 0 DHADRP Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001171563870 1032783269 /nfs/dbraw/zinc/78/32/69/1032783269.db2.gz OFGMHSVZVIXCEP-PKOBYXMFSA-N 2 0 300.490 3.693 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])C2 ZINC001171561627 1032783382 /nfs/dbraw/zinc/78/33/82/1032783382.db2.gz ZXUGZGTZXFUTPX-MAUKXSAKSA-N 2 0 302.506 3.843 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000642626905 1018734909 /nfs/dbraw/zinc/73/49/09/1018734909.db2.gz HGCQHCSINNCHTP-SFHVURJKSA-N 2 0 316.489 3.853 20 0 DHADRP Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001171563867 1032783588 /nfs/dbraw/zinc/78/35/88/1032783588.db2.gz OFGMHSVZVIXCEP-HKUYNNGSSA-N 2 0 300.490 3.693 20 0 DHADRP c1cncc(-c2cccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000278492079 1018744871 /nfs/dbraw/zinc/74/48/71/1018744871.db2.gz LJZRUNYZKJDWHT-UHFFFAOYSA-N 2 0 321.468 3.713 20 0 DHADRP C[C@@H]1C[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCO1 ZINC000420934085 1018758259 /nfs/dbraw/zinc/75/82/59/1018758259.db2.gz JLNLRHMSKDXLBB-ZHALLVOQSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001171561115 1032784908 /nfs/dbraw/zinc/78/49/08/1032784908.db2.gz WTSIGKDEWYNBPO-LJQANCHMSA-N 2 0 312.501 3.706 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000676571790 1018774287 /nfs/dbraw/zinc/77/42/87/1018774287.db2.gz HDLIDRGQITVKPE-UXHICEINSA-N 2 0 316.489 3.720 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH3+])(c3ccccc3)CC1)C2 ZINC001171559320 1032781550 /nfs/dbraw/zinc/78/15/50/1032781550.db2.gz ZYHSGBQZXBPKKI-HXUWFJFHSA-N 2 0 320.480 3.802 20 0 DHADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657811465 1018782799 /nfs/dbraw/zinc/78/27/99/1018782799.db2.gz CLWQBZXZGBRBNX-RDTXWAMCSA-N 2 0 302.462 3.615 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657815670 1018822112 /nfs/dbraw/zinc/82/21/12/1018822112.db2.gz JEFTVOQDPXFXAW-CABCVRRESA-N 2 0 303.450 3.989 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)CCO1 ZINC000315348779 1018835905 /nfs/dbraw/zinc/83/59/05/1018835905.db2.gz GVSQCHQWKUNHOC-MOPGFXCFSA-N 2 0 304.478 3.576 20 0 DHADRP COc1ccc2c(N[C@H](C)C(C)(C)C[NH+](C)C)cc[nH+]c2c1 ZINC000765510270 1018841354 /nfs/dbraw/zinc/84/13/54/1018841354.db2.gz SQAMFPZAEOSGMB-CYBMUJFWSA-N 2 0 301.434 3.632 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993766 1032791264 /nfs/dbraw/zinc/79/12/64/1032791264.db2.gz HVCTYPJIQYKJAL-HNNXBMFYSA-N 2 0 312.379 3.778 20 0 DHADRP C[C@@H](NCCC[NH+](C)C)c1ccc(Br)c(Cl)c1 ZINC000657819705 1018868598 /nfs/dbraw/zinc/86/85/98/1018868598.db2.gz XWJBHCRIXBVWKO-SNVBAGLBSA-N 2 0 319.674 3.705 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000657824828 1018926758 /nfs/dbraw/zinc/92/67/58/1018926758.db2.gz AINUYOYYWFJRFJ-UHFFFAOYSA-N 2 0 310.432 3.706 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)C2(OC)CCC2)cc1 ZINC000657827127 1018939984 /nfs/dbraw/zinc/93/99/84/1018939984.db2.gz LXMWILWSXDWCNH-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP [NH3+]CCC[N@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CCCCC1 ZINC001168685400 1018974321 /nfs/dbraw/zinc/97/43/21/1018974321.db2.gz PKGSPCKYGXSYQD-MRXNPFEDSA-N 2 0 306.881 3.791 20 0 DHADRP [NH3+]CC[C@@H]1CN(c2ccc(C3([NH3+])CCC3)cc2)c2ccccc21 ZINC001168548149 1018992573 /nfs/dbraw/zinc/99/25/73/1018992573.db2.gz DGBRUWQCOLWALY-OAHLLOKOSA-N 2 0 307.441 3.609 20 0 DHADRP C[NH+](C)[C@@H](CNC1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171619290 1032801527 /nfs/dbraw/zinc/80/15/27/1032801527.db2.gz IKFOWWMLBUZJBP-SFHVURJKSA-N 2 0 317.521 3.530 20 0 DHADRP C[NH+]1C(C)(C)CC([N@H+](CCC[NH3+])C2CCCCC2)CC1(C)C ZINC001171619860 1032801861 /nfs/dbraw/zinc/80/18/61/1032801861.db2.gz SSUXPTFPNNXPQP-UHFFFAOYSA-N 3 0 309.542 3.621 20 0 DHADRP Cc1ccccc1OCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171618707 1032803831 /nfs/dbraw/zinc/80/38/31/1032803831.db2.gz AKIOOJZBNXICHX-UHFFFAOYSA-N 2 0 304.478 3.615 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624527 1032805883 /nfs/dbraw/zinc/80/58/83/1032805883.db2.gz VGFCVKWHXDJUEU-DLBZAZTESA-N 2 0 304.453 3.923 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624119 1032806202 /nfs/dbraw/zinc/80/62/02/1032806202.db2.gz NDUUNMOBKALREI-HNNXBMFYSA-N 2 0 318.505 3.954 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCCc3ncccc32)CC1(C)C ZINC001171623162 1032807475 /nfs/dbraw/zinc/80/74/75/1032807475.db2.gz MPMGUJDHPKOJHZ-KRWDZBQOSA-N 2 0 301.478 3.700 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000708511464 1019098716 /nfs/dbraw/zinc/09/87/16/1019098716.db2.gz OGZRDASMRPATFX-NEWSRXKRSA-N 2 0 318.530 3.630 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1(C)C ZINC001171622923 1032807638 /nfs/dbraw/zinc/80/76/38/1032807638.db2.gz CVAMDGQCSWYJKF-YWZLYKJASA-N 3 0 323.569 3.771 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000347916589 1019108329 /nfs/dbraw/zinc/10/83/29/1019108329.db2.gz FKPAOGSYBBBVFT-MRXNPFEDSA-N 2 0 314.477 3.562 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1(C)C ZINC001171624111 1032807969 /nfs/dbraw/zinc/80/79/69/1032807969.db2.gz MYYBJLKEKJJCRS-UHFFFAOYSA-N 2 0 310.526 3.964 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995305 1032808010 /nfs/dbraw/zinc/80/80/10/1032808010.db2.gz JXSVJMBSFHPUIA-BZSNNMDCSA-N 2 0 302.437 3.726 20 0 DHADRP COCCc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171626068 1032808081 /nfs/dbraw/zinc/80/80/81/1032808081.db2.gz VAVIJDVNCJRQPE-UHFFFAOYSA-N 2 0 318.505 3.617 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995074 1032808862 /nfs/dbraw/zinc/80/88/62/1032808862.db2.gz CCNWDAGINOBPSU-STQMWFEESA-N 2 0 312.910 3.987 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Br)cc1 ZINC000635004732 1019123811 /nfs/dbraw/zinc/12/38/11/1019123811.db2.gz DVNKLLNHVIVPHR-HUBLWGQQSA-N 2 0 311.267 3.617 20 0 DHADRP O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCC[NH2+]C1CC1)c1cccs1 ZINC000923315159 1019123855 /nfs/dbraw/zinc/12/38/55/1019123855.db2.gz QLXBHZRXAKMGTD-IRXDYDNUSA-N 2 0 322.518 3.558 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657843116 1019128890 /nfs/dbraw/zinc/12/88/90/1019128890.db2.gz FACGVYANTZIALI-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000923377141 1019154964 /nfs/dbraw/zinc/15/49/64/1019154964.db2.gz RSPUGOBLIDJJDF-WYQXTGKHSA-N 2 0 324.415 3.859 20 0 DHADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449222 1019209269 /nfs/dbraw/zinc/20/92/69/1019209269.db2.gz LRWDDSSWSVDREF-WMZOPIPTSA-N 2 0 324.468 3.731 20 0 DHADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000923480503 1019231138 /nfs/dbraw/zinc/23/11/38/1019231138.db2.gz HVVFSJQYHFUCDF-LLVKDONJSA-N 2 0 324.255 3.712 20 0 DHADRP Cc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708538849 1019254539 /nfs/dbraw/zinc/25/45/39/1019254539.db2.gz IGEOKYILPHQRAA-NQIIRXRSSA-N 2 0 308.469 3.853 20 0 DHADRP CC[N@H+](Cc1c(C)nsc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063945 1019279594 /nfs/dbraw/zinc/27/95/94/1019279594.db2.gz WERFLVKYDKMXPG-UHFFFAOYSA-N 2 0 317.502 3.844 20 0 DHADRP CCc1ccc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)nc1 ZINC000626063745 1019282439 /nfs/dbraw/zinc/28/24/39/1019282439.db2.gz OUWQCZPETCQSME-UHFFFAOYSA-N 2 0 311.473 3.728 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000671742938 1019283458 /nfs/dbraw/zinc/28/34/58/1019283458.db2.gz ROLKUUKVYGMQOT-GBESFXJTSA-N 2 0 300.490 3.817 20 0 DHADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090218293 1019384191 /nfs/dbraw/zinc/38/41/91/1019384191.db2.gz NIIOQUMNZYDOSD-PXNSSMCTSA-N 2 0 322.537 3.824 20 0 DHADRP CCOCCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090722991 1019413673 /nfs/dbraw/zinc/41/36/73/1019413673.db2.gz JDDFAUKZEJKAAS-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCCSCC3)CC2)c1 ZINC000657861400 1019420886 /nfs/dbraw/zinc/42/08/86/1019420886.db2.gz RIKXZAZRNIZWPH-MRXNPFEDSA-N 2 0 324.559 3.835 20 0 DHADRP CC(C)[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000091286826 1019457013 /nfs/dbraw/zinc/45/70/13/1019457013.db2.gz YGYSCGDWCWFMNB-ZIFCJYIRSA-N 2 0 303.494 3.736 20 0 DHADRP CC(C)[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000091286828 1019457372 /nfs/dbraw/zinc/45/73/72/1019457372.db2.gz YGYSCGDWCWFMNB-ZHALLVOQSA-N 2 0 303.494 3.736 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cn2)c1 ZINC000092741815 1019533671 /nfs/dbraw/zinc/53/36/71/1019533671.db2.gz XRUAVVAWXHWIBH-OAHLLOKOSA-N 2 0 315.436 3.912 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494980675 1019570500 /nfs/dbraw/zinc/57/05/00/1019570500.db2.gz PALPOACYGCXELB-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000093770392 1019584962 /nfs/dbraw/zinc/58/49/62/1019584962.db2.gz VIGFZZCTAHKETK-GOSISDBHSA-N 2 0 309.457 3.522 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C(F)F ZINC000657868506 1019593241 /nfs/dbraw/zinc/59/32/41/1019593241.db2.gz UUSSWMXRDOHBLZ-DOTOQJQBSA-N 2 0 324.459 3.820 20 0 DHADRP c1cc(C[NH+]2CCC(Nc3ccc4c[nH+]ccc4c3)CC2)ccn1 ZINC000149203710 1019691508 /nfs/dbraw/zinc/69/15/08/1019691508.db2.gz WUWPJSVVHIPIIT-UHFFFAOYSA-N 2 0 318.424 3.706 20 0 DHADRP C[C@H]1C[C@H](n2ccc3cc(C[NH3+])ccc32)C[N@@H+]1Cc1ccccc1 ZINC001171726864 1032848543 /nfs/dbraw/zinc/84/85/43/1032848543.db2.gz LDANOJZPGXLLOE-JXFKEZNVSA-N 2 0 319.452 3.936 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000727465897 1019716303 /nfs/dbraw/zinc/71/63/03/1019716303.db2.gz OMQVHGKLUMYNAE-QGZVFWFLSA-N 2 0 311.473 3.979 20 0 DHADRP CCCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000061003171 1019731718 /nfs/dbraw/zinc/73/17/18/1019731718.db2.gz OTMQVYMWQNKXLY-UHFFFAOYSA-N 2 0 304.478 3.874 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC[C@H](C)c2ccc(OC)cc2)CC1 ZINC000166053962 1019772722 /nfs/dbraw/zinc/77/27/22/1019772722.db2.gz ZCWPILKQCPIREI-INIZCTEOSA-N 2 0 304.478 3.653 20 0 DHADRP Cc1occc1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902358257 1019826459 /nfs/dbraw/zinc/82/64/59/1019826459.db2.gz CEJWWLZWVNFXEO-KRWDZBQOSA-N 2 0 308.372 3.826 20 0 DHADRP CCCC[C@@H](CC)CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457471 1019835312 /nfs/dbraw/zinc/83/53/12/1019835312.db2.gz COJJUWHOJUKYLA-QUCCMNQESA-N 2 0 323.569 3.693 20 0 DHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C(F)F ZINC000657909467 1019931442 /nfs/dbraw/zinc/93/14/42/1019931442.db2.gz MLNIJTABHMJPQU-ZDUSSCGKSA-N 2 0 311.420 3.567 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000152525637 1032863284 /nfs/dbraw/zinc/86/32/84/1032863284.db2.gz UTZYDNXHAMUBHH-INIZCTEOSA-N 2 0 304.478 3.541 20 0 DHADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000685629503 1019988570 /nfs/dbraw/zinc/98/85/70/1019988570.db2.gz ULOMUNCJKAEALY-INDWDQIESA-N 2 0 301.821 3.614 20 0 DHADRP C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000158197234 1019999074 /nfs/dbraw/zinc/99/90/74/1019999074.db2.gz QPZIHSQLZVCFMQ-LBPRGKRZSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000158197398 1019999141 /nfs/dbraw/zinc/99/91/41/1019999141.db2.gz QPZIHSQLZVCFMQ-GFCCVEGCSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000657813681 1020035832 /nfs/dbraw/zinc/03/58/32/1020035832.db2.gz XMOJIHWFKANQSB-HNNXBMFYSA-N 2 0 304.453 3.641 20 0 DHADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cnc1Cl ZINC000922505026 1020104156 /nfs/dbraw/zinc/10/41/56/1020104156.db2.gz PUNOEPFGBBOYBL-UHFFFAOYSA-N 2 0 321.896 3.930 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000922506111 1020107288 /nfs/dbraw/zinc/10/72/88/1020107288.db2.gz YORCPBANRHZKIM-UHFFFAOYSA-N 2 0 323.431 3.906 20 0 DHADRP CC[C@H](C)C[C@H](CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069694 1020128346 /nfs/dbraw/zinc/12/83/46/1020128346.db2.gz QLHBWBLKAIUWEQ-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731678911 1020136341 /nfs/dbraw/zinc/13/63/41/1020136341.db2.gz RVSLPPWYVOLSJE-KRWDZBQOSA-N 2 0 316.489 3.610 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166068 1020198502 /nfs/dbraw/zinc/19/85/02/1020198502.db2.gz MGWTUILTCMPOIW-PMACEKPBSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165224 1020198619 /nfs/dbraw/zinc/19/86/19/1020198619.db2.gz QGXWFEHCHLQZLL-XLIONFOSSA-N 2 0 315.505 3.852 20 0 DHADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166373 1020199730 /nfs/dbraw/zinc/19/97/30/1020199730.db2.gz UQXGSCURZPBZAF-OALUTQOASA-N 2 0 315.505 3.708 20 0 DHADRP Cc1ccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)cc1F ZINC000390576281 1020209246 /nfs/dbraw/zinc/20/92/46/1020209246.db2.gz WKBLFRMYNVEIPG-LJQANCHMSA-N 2 0 312.432 3.888 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000658217993 1020244391 /nfs/dbraw/zinc/24/43/91/1020244391.db2.gz IGNRXUGCFYGQKC-BMFZPTHFSA-N 2 0 300.437 3.664 20 0 DHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658250803 1020258347 /nfs/dbraw/zinc/25/83/47/1020258347.db2.gz DBQZAYUPBDDFSY-ROUUACIJSA-N 2 0 320.521 3.577 20 0 DHADRP Clc1cc(Cl)cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166338141 1020259167 /nfs/dbraw/zinc/25/91/67/1020259167.db2.gz QCQLIVYBLPSWPX-HZPDHXFCSA-N 2 0 313.272 3.752 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658255125 1020271083 /nfs/dbraw/zinc/27/10/83/1020271083.db2.gz SIYWGLKZLIMMMN-GQGLESIBSA-N 2 0 308.510 3.575 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3C(C)(C)C3(F)F)CC2)C1 ZINC000658283931 1020282514 /nfs/dbraw/zinc/28/25/14/1020282514.db2.gz XHNBFWGNHLTSLW-FVQBIDKESA-N 2 0 314.464 3.910 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCS1 ZINC000922838345 1020294878 /nfs/dbraw/zinc/29/48/78/1020294878.db2.gz LMIUBSXREIFPGM-OGWHTMIXSA-N 2 0 318.530 3.913 20 0 DHADRP CC(C)c1cnc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922846131 1020304827 /nfs/dbraw/zinc/30/48/27/1020304827.db2.gz VGXBLKABLYPZLF-UHFFFAOYSA-N 2 0 307.507 3.763 20 0 DHADRP CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1F ZINC000922846211 1020304985 /nfs/dbraw/zinc/30/49/85/1020304985.db2.gz XNEONUDQZQLTAS-UHFFFAOYSA-N 2 0 320.452 3.721 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000922846943 1020305694 /nfs/dbraw/zinc/30/56/94/1020305694.db2.gz HVFOZOUHKWZOIU-UHFFFAOYSA-N 2 0 305.491 3.517 20 0 DHADRP COCCC1(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCCCC1 ZINC000922844609 1020306330 /nfs/dbraw/zinc/30/63/30/1020306330.db2.gz GSKGRBVZTRDJJI-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000922848288 1020307969 /nfs/dbraw/zinc/30/79/69/1020307969.db2.gz QDPTZTRWIPSJDN-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP C[C@@H]1[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000658354587 1020320419 /nfs/dbraw/zinc/32/04/19/1020320419.db2.gz DQVGKIOTWMSPMH-NDXORKPFSA-N 2 0 312.501 3.890 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC000658357709 1020322196 /nfs/dbraw/zinc/32/21/96/1020322196.db2.gz VUCGBRSPXSNRHI-ZDUSSCGKSA-N 2 0 308.416 3.737 20 0 DHADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356496 1020322621 /nfs/dbraw/zinc/32/26/21/1020322621.db2.gz ONDFAIJDXHUETG-FQEVSTJZSA-N 2 0 313.489 3.645 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356524 1020322839 /nfs/dbraw/zinc/32/28/39/1020322839.db2.gz OPLHODCITJZJGF-MRXNPFEDSA-N 2 0 318.480 3.858 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655825586 1020404377 /nfs/dbraw/zinc/40/43/77/1020404377.db2.gz ILLQRBPRXFPQJD-HDICACEKSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)c1nccs1 ZINC000340352952 1020405126 /nfs/dbraw/zinc/40/51/26/1020405126.db2.gz COEJZADTWXVTSQ-OIISXLGYSA-N 2 0 315.486 3.672 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000655848886 1020420984 /nfs/dbraw/zinc/42/09/84/1020420984.db2.gz LAGPGKUOPSOTBK-RRQGHBQHSA-N 2 0 324.415 3.956 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348053712 1020486622 /nfs/dbraw/zinc/48/66/22/1020486622.db2.gz HZNPUMHPNPHLOB-YZLZLFLDSA-N 2 0 316.489 3.574 20 0 DHADRP CCN1CCC([NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000159317971 1020548781 /nfs/dbraw/zinc/54/87/81/1020548781.db2.gz FTFLDRZBZDOLBK-HNNXBMFYSA-N 2 0 310.894 3.951 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cnc3ccccc3c2)ccc1F ZINC000734509424 1020617185 /nfs/dbraw/zinc/61/71/85/1020617185.db2.gz PYSKCKDGBUYOQV-UHFFFAOYSA-N 2 0 323.415 3.725 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205985633 1020700557 /nfs/dbraw/zinc/70/05/57/1020700557.db2.gz ZCHZEQUQDMPVPJ-OLZOCXBDSA-N 2 0 300.368 3.512 20 0 DHADRP CCN1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957880 1032923912 /nfs/dbraw/zinc/92/39/12/1032923912.db2.gz GFJLHQCUYWZXRY-CJNGLKHVSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C(C)(C)CC[NH+](C)C ZINC001171961350 1032928794 /nfs/dbraw/zinc/92/87/94/1032928794.db2.gz WHJZLCWNVUBMCV-ZDUSSCGKSA-N 2 0 316.411 3.956 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001171960444 1032930058 /nfs/dbraw/zinc/93/00/58/1032930058.db2.gz ZOQRNUOYVADPAV-BBRMVZONSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001171958554 1032926360 /nfs/dbraw/zinc/92/63/60/1032926360.db2.gz BJNXGLHBQFCFGY-CZUORRHYSA-N 2 0 314.395 3.710 20 0 DHADRP Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171964808 1032934414 /nfs/dbraw/zinc/93/44/14/1032934414.db2.gz HSYBBZQVMVMTIJ-HXUWFJFHSA-N 2 0 323.484 3.923 20 0 DHADRP CC[C@H](Cc1ccccc1)[NH2+]CC1CN(Cc2ccccc2)C1 ZINC000716276275 1020843658 /nfs/dbraw/zinc/84/36/58/1020843658.db2.gz BSIOPYPJRJJIQT-OAQYLSRUSA-N 2 0 308.469 3.729 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000414076402 1020855675 /nfs/dbraw/zinc/85/56/75/1020855675.db2.gz OQWFPSIWIBVKQX-RZQQEMMASA-N 2 0 316.489 3.541 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000613259817 1020874354 /nfs/dbraw/zinc/87/43/54/1020874354.db2.gz GRVRTNFEJLIVJH-MJGOQNOKSA-N 2 0 304.478 3.685 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414106426 1020893938 /nfs/dbraw/zinc/89/39/38/1020893938.db2.gz QWMCUGFMLZAAAY-SJLPKXTDSA-N 2 0 304.865 3.828 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000414123889 1020915652 /nfs/dbraw/zinc/91/56/52/1020915652.db2.gz BRUHCRNSZXMHGO-BHUNQDJPSA-N 2 0 308.510 3.575 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCO2 ZINC000178097373 1020932853 /nfs/dbraw/zinc/93/28/53/1020932853.db2.gz OEUGJODCEJMALD-SJORKVTESA-N 2 0 316.489 3.927 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000414171321 1020959258 /nfs/dbraw/zinc/95/92/58/1020959258.db2.gz DGXWTPFUKNSUMM-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414191853 1020979222 /nfs/dbraw/zinc/97/92/22/1020979222.db2.gz RZSUILPMTIRPIZ-LNKGRISISA-N 2 0 316.489 3.509 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]CC[C@H]3CCC[N@H+](C)C3)oc21 ZINC000414194193 1020982243 /nfs/dbraw/zinc/98/22/43/1020982243.db2.gz ULVPCBNULFRUJN-HUUCEWRRSA-N 2 0 316.445 3.824 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414200287 1020988160 /nfs/dbraw/zinc/98/81/60/1020988160.db2.gz XRONJTIYBAEADI-ZIAGYGMSSA-N 2 0 310.869 3.731 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000613491062 1020998272 /nfs/dbraw/zinc/99/82/72/1020998272.db2.gz DFBWMBXPRLFYQQ-UHFFFAOYSA-N 2 0 318.505 3.818 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411221 1021027882 /nfs/dbraw/zinc/02/78/82/1021027882.db2.gz HMLIAKPADGCDSB-LJQANCHMSA-N 2 0 324.553 3.928 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)OCC3CC3)CC2)C1 ZINC000414269502 1021048013 /nfs/dbraw/zinc/04/80/13/1021048013.db2.gz OPBXFGHWLNPWNI-LPHOPBHVSA-N 2 0 322.537 3.824 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000414308959 1021080338 /nfs/dbraw/zinc/08/03/38/1021080338.db2.gz QWZVHUWJSRRCOU-XYJFISCASA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000537951065 1032952803 /nfs/dbraw/zinc/95/28/03/1032952803.db2.gz XTRDBYQOBSYOMY-TZIWHRDSSA-N 2 0 314.517 3.965 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000647544156 1021149607 /nfs/dbraw/zinc/14/96/07/1021149607.db2.gz XJTFNXRRFAIJKP-JKSUJKDBSA-N 2 0 322.880 3.560 20 0 DHADRP COCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171970955 1032957867 /nfs/dbraw/zinc/95/78/67/1032957867.db2.gz GPSKLZDFCAIAAW-SFHVURJKSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)[C@@H]1CCC[NH2+]C1 ZINC000423221625 1021163430 /nfs/dbraw/zinc/16/34/30/1021163430.db2.gz XEAZQKGCJIHEPY-YWPYICTPSA-N 2 0 310.894 3.855 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000537979342 1032959361 /nfs/dbraw/zinc/95/93/61/1032959361.db2.gz CDBVJCKEMPTYPE-GOEBONIOSA-N 2 0 321.534 3.663 20 0 DHADRP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423358636 1021187239 /nfs/dbraw/zinc/18/72/39/1021187239.db2.gz CBMWUDHEDZIAII-QLFBSQMISA-N 2 0 323.278 3.604 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000423383056 1021193650 /nfs/dbraw/zinc/19/36/50/1021193650.db2.gz KIGMSSYKNRUVRL-BBWFWOEESA-N 2 0 320.477 3.795 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000537987738 1032961752 /nfs/dbraw/zinc/96/17/52/1032961752.db2.gz PTQUCJAGERIOGP-IUODEOHRSA-N 2 0 312.860 3.687 20 0 DHADRP C[N@H+](CCCSCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000090550401 1021234177 /nfs/dbraw/zinc/23/41/77/1021234177.db2.gz YLNUYWJRXVZKHI-SFHVURJKSA-N 2 0 306.519 3.584 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC000090585564 1021234438 /nfs/dbraw/zinc/23/44/38/1021234438.db2.gz XDHVZVHODUJLCG-JKSUJKDBSA-N 2 0 322.468 3.853 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCCO1 ZINC001171978492 1032967094 /nfs/dbraw/zinc/96/70/94/1032967094.db2.gz YKWWOKZGIDHCRD-WDSOQIARSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000377063287 1021252504 /nfs/dbraw/zinc/25/25/04/1021252504.db2.gz WBBWALYAFDBFEU-PXNSSMCTSA-N 2 0 309.457 3.644 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@H](C)C1 ZINC000090940970 1021256636 /nfs/dbraw/zinc/25/66/36/1021256636.db2.gz OLLCPWCEAFRYGU-RHSMWYFYSA-N 2 0 306.881 3.692 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000091367780 1021279938 /nfs/dbraw/zinc/27/99/38/1021279938.db2.gz NAPKGBZFALKERV-YQVWRLOYSA-N 2 0 302.462 3.609 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc(C[NH+](C)C)c1 ZINC000926795962 1021280425 /nfs/dbraw/zinc/28/04/25/1021280425.db2.gz CQELMJRERBCUPA-QFBILLFUSA-N 2 0 316.489 3.606 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743399068 1021285329 /nfs/dbraw/zinc/28/53/29/1021285329.db2.gz KBZLIELRVLRYCJ-HNNXBMFYSA-N 2 0 315.486 3.602 20 0 DHADRP CCC[N@H+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]1CC[NH2+]C1 ZINC001236828335 1021327818 /nfs/dbraw/zinc/32/78/18/1021327818.db2.gz IIFDATXZMVMJEQ-ZWKOTPCHSA-N 2 0 312.542 3.929 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000166149556 1021389024 /nfs/dbraw/zinc/38/90/24/1021389024.db2.gz JEYPXAAJMKUYFQ-OALUTQOASA-N 2 0 320.521 3.721 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000624120572 1021391085 /nfs/dbraw/zinc/39/10/85/1021391085.db2.gz BTPFQHHCLKGFTE-UONOGXRCSA-N 2 0 310.869 3.731 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1F ZINC000624120569 1021393250 /nfs/dbraw/zinc/39/32/50/1021393250.db2.gz BRWCCZRTOPAQDW-ZIAGYGMSSA-N 2 0 310.482 3.930 20 0 DHADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924650779 1032976226 /nfs/dbraw/zinc/97/62/26/1032976226.db2.gz WXFZIKRLHJJBPT-ZJUUUORDSA-N 2 0 303.353 3.703 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC[NH+](C)CC1 ZINC000589348140 1021428333 /nfs/dbraw/zinc/42/83/33/1021428333.db2.gz ZJSBNTWXFOOREO-BRWVUGGUSA-N 2 0 312.567 3.864 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000538059161 1032980847 /nfs/dbraw/zinc/98/08/47/1032980847.db2.gz NTVIBXNHXDDEEG-BEFAXECRSA-N 2 0 304.453 3.988 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC4CC(C4)C2)C3)cc1 ZINC001172083257 1032981497 /nfs/dbraw/zinc/98/14/97/1032981497.db2.gz PDTJXFZPHXYCOF-ZHLPAPNQSA-N 2 0 310.485 3.914 20 0 DHADRP C[NH+](C)CC(C)(C)CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000129417812 1021483802 /nfs/dbraw/zinc/48/38/02/1021483802.db2.gz WEIZKZYDXACQGT-UHFFFAOYSA-N 2 0 306.347 3.522 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000572546969 1021499731 /nfs/dbraw/zinc/49/97/31/1021499731.db2.gz UFNUVJYXYNNAAF-RDTXWAMCSA-N 2 0 306.881 3.593 20 0 DHADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000556094551 1021520332 /nfs/dbraw/zinc/52/03/32/1021520332.db2.gz VZSQNRYXEZSEGO-MJGOQNOKSA-N 2 0 320.521 3.580 20 0 DHADRP CSCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090678 1032986215 /nfs/dbraw/zinc/98/62/15/1032986215.db2.gz VYUCTJOHTOCKHB-BWTSREIZSA-N 2 0 318.530 3.867 20 0 DHADRP c1ccn(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172062264 1032987582 /nfs/dbraw/zinc/98/75/82/1032987582.db2.gz LMVREYFPUWKFKX-WKCHPHFGSA-N 2 0 323.484 3.663 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100205 1032989755 /nfs/dbraw/zinc/98/97/55/1032989755.db2.gz AZBNTFADICQLAW-NNZMDNLPSA-N 2 0 302.462 3.579 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000129886470 1021579868 /nfs/dbraw/zinc/57/98/68/1021579868.db2.gz WWXTWOMBTDWLDH-VQIMIIECSA-N 2 0 303.494 3.671 20 0 DHADRP C[C@@H]1CCCC[NH+]1Cc1cncc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000556192477 1021599815 /nfs/dbraw/zinc/59/98/15/1021599815.db2.gz BLONXECEVCZRGF-IAGOWNOFSA-N 2 0 301.478 3.830 20 0 DHADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643057894 1021608246 /nfs/dbraw/zinc/60/82/46/1021608246.db2.gz WFIGNUOFZPUGSC-WMZOPIPTSA-N 2 0 302.462 3.612 20 0 DHADRP Nc1cc(NC2CC[NH+](C3CCCCC3)CC2)c(Cl)c[nH+]1 ZINC000892778313 1021613125 /nfs/dbraw/zinc/61/31/25/1021613125.db2.gz JSSGPMUQRRWLDX-UHFFFAOYSA-N 2 0 308.857 3.526 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)ccc1Br ZINC000415014226 1021613289 /nfs/dbraw/zinc/61/32/89/1021613289.db2.gz LSDOGXITFNOSIK-JTQLQIEISA-N 2 0 319.674 3.710 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2cc3ccccc3s2)CC1 ZINC000556232618 1021619226 /nfs/dbraw/zinc/61/92/26/1021619226.db2.gz KETFRWJOHUDZIO-UHFFFAOYSA-N 2 0 302.487 3.906 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccnc(Cl)c1 ZINC000850585394 1021625277 /nfs/dbraw/zinc/62/52/77/1021625277.db2.gz XTPCOSSCPHRYHR-CYBMUJFWSA-N 2 0 307.869 3.508 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000556258571 1021639610 /nfs/dbraw/zinc/63/96/10/1021639610.db2.gz BFOSBVKHTYZTIQ-KSZLIROESA-N 2 0 310.526 3.539 20 0 DHADRP C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000037209690 1021662262 /nfs/dbraw/zinc/66/22/62/1021662262.db2.gz POGLUJHENYGKFK-LBPRGKRZSA-N 2 0 315.288 3.856 20 0 DHADRP CC[N@H+](C)C[C@H]1CCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000093770092 1021676098 /nfs/dbraw/zinc/67/60/98/1021676098.db2.gz UTAHCCCTCQATDA-GOSISDBHSA-N 2 0 316.489 3.782 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125845347 1032999701 /nfs/dbraw/zinc/99/97/01/1032999701.db2.gz WFXWNFRPWOSFEL-SJORKVTESA-N 2 0 304.478 3.856 20 0 DHADRP CCCOc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172106267 1033002443 /nfs/dbraw/zinc/00/24/43/1033002443.db2.gz ONERJDIIOXXPFL-BCDXTJNWSA-N 2 0 302.462 3.580 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000556585355 1021782511 /nfs/dbraw/zinc/78/25/11/1021782511.db2.gz KOHLOLMWKZJPFD-INIZCTEOSA-N 2 0 302.462 3.778 20 0 DHADRP C[NH2+]C1CCC([N@H+](C)Cc2c(F)cc(F)cc2Cl)CC1 ZINC001236214471 1021834410 /nfs/dbraw/zinc/83/44/10/1021834410.db2.gz FUFCQMUYEAVFGG-UHFFFAOYSA-N 2 0 302.796 3.581 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109194 1033010884 /nfs/dbraw/zinc/01/08/84/1033010884.db2.gz HSXHCHUZTUSOKS-SFNKJDCFSA-N 2 0 313.489 3.610 20 0 DHADRP CC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000394417957 1021895331 /nfs/dbraw/zinc/89/53/31/1021895331.db2.gz DWRPFPSYIQUEAR-PZJWPPBQSA-N 2 0 324.468 3.825 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000556869613 1021910712 /nfs/dbraw/zinc/91/07/12/1021910712.db2.gz AHPKAUNCGNXVIB-GUDVDZBRSA-N 2 0 300.490 3.735 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(OC(C)C)c1 ZINC000556868951 1021912166 /nfs/dbraw/zinc/91/21/66/1021912166.db2.gz YWTJXFLKBDBUFQ-GUDVDZBRSA-N 2 0 316.489 3.745 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1ccc(Cl)cc1 ZINC000556871330 1021912342 /nfs/dbraw/zinc/91/23/42/1021912342.db2.gz LJAVRUBRBAPBBK-PILAGYSTSA-N 2 0 322.880 3.570 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)C1 ZINC000556934496 1021956039 /nfs/dbraw/zinc/95/60/39/1021956039.db2.gz WEBGOUWSUIDEAV-NJYVYQBISA-N 2 0 312.501 3.915 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ccccn3)cc1)C2 ZINC001172112463 1033019312 /nfs/dbraw/zinc/01/93/12/1033019312.db2.gz XEDKPYSVZKNCKI-OWZKRDHZSA-N 2 0 321.468 3.854 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3F)CC1)C2 ZINC001172112532 1033019534 /nfs/dbraw/zinc/01/95/34/1033019534.db2.gz XDXOBSIDPBAYMS-NNZMDNLPSA-N 2 0 316.464 3.753 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000659877459 1022031073 /nfs/dbraw/zinc/03/10/73/1022031073.db2.gz RRBRNXXJSPGXHH-UHFFFAOYSA-N 2 0 317.502 3.849 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000386958380 1022056779 /nfs/dbraw/zinc/05/67/79/1022056779.db2.gz UKQQEOIWFUSYFY-INIZCTEOSA-N 2 0 303.494 3.671 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000387211222 1022057390 /nfs/dbraw/zinc/05/73/90/1022057390.db2.gz KWMRHDOUMUNVAV-CHWSQXEVSA-N 2 0 312.404 3.669 20 0 DHADRP C[C@@]1(C[NH2+]Cc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000379764522 1022063670 /nfs/dbraw/zinc/06/36/70/1022063670.db2.gz GYSNUMLDQFSZHC-NRFANRHFSA-N 2 0 319.452 3.560 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205995982 1022203591 /nfs/dbraw/zinc/20/35/91/1022203591.db2.gz SRXRPEDAIXCGAJ-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CCC[C@@H]1C[NH3+] ZINC001205996610 1022222654 /nfs/dbraw/zinc/22/26/54/1022222654.db2.gz XVBDGXFZILGABA-VXGBXAGGSA-N 2 0 301.261 3.800 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(Cl)c(Cl)c1)C2 ZINC001169093206 1022244342 /nfs/dbraw/zinc/24/43/42/1022244342.db2.gz GCCLNJIEYNSBBW-BTTYYORXSA-N 2 0 313.272 3.751 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CCC1)C2 ZINC001169100536 1022247656 /nfs/dbraw/zinc/24/76/56/1022247656.db2.gz KRLZHAYKDWVJJC-YYAJDYIMSA-N 2 0 302.437 3.882 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000766585714 1022253589 /nfs/dbraw/zinc/25/35/89/1022253589.db2.gz RIUBEXLDSWNDSZ-MAUKXSAKSA-N 2 0 314.473 3.753 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3c1cccc3Cl)C2 ZINC001169119805 1022259065 /nfs/dbraw/zinc/25/90/65/1022259065.db2.gz WJWNEKQKFQDBNE-FICVDOATSA-N 2 0 317.864 3.594 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccc(F)c3)CCC1)C2 ZINC001169118542 1022259375 /nfs/dbraw/zinc/25/93/75/1022259375.db2.gz JVIGKTIJHIWWJM-REPLKXPHSA-N 2 0 316.464 3.753 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1C(F)(F)F ZINC001169108047 1022267716 /nfs/dbraw/zinc/26/77/16/1022267716.db2.gz NMAYRKYYJVVPPM-FQUUOJAGSA-N 2 0 312.379 3.981 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]13C[C@H]4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC001169109487 1022268132 /nfs/dbraw/zinc/26/81/32/1022268132.db2.gz JEFIVFTZRAEXBA-QXZMZNFUSA-N 2 0 302.506 3.950 20 0 DHADRP C[N@H+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169141442 1022271624 /nfs/dbraw/zinc/27/16/24/1022271624.db2.gz QLINJXXBRSKHCV-MUJYYYPQSA-N 2 0 323.278 3.506 20 0 DHADRP Cc1[nH]c2ccc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2[nH+]1 ZINC001169147163 1022276568 /nfs/dbraw/zinc/27/65/68/1022276568.db2.gz SQJDETSWRIQFEB-KDOFPFPSSA-N 2 0 300.450 3.827 20 0 DHADRP C[NH+](C)/C=C/c1ccncc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169147209 1022276803 /nfs/dbraw/zinc/27/68/03/1022276803.db2.gz QAHFKFUUDAORFK-DDOBUIPCSA-N 2 0 316.493 3.570 20 0 DHADRP Cn1ccc2c1[nH+]ccc2N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169151246 1022282980 /nfs/dbraw/zinc/28/29/80/1022282980.db2.gz HKJGEBFAFZKKCT-UGSOOPFHSA-N 2 0 300.450 3.529 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CCc2nsc3ccccc32)CC1 ZINC000659983627 1022293938 /nfs/dbraw/zinc/29/39/38/1022293938.db2.gz RLLAUUVEFMBRTD-UHFFFAOYSA-N 2 0 317.502 3.645 20 0 DHADRP C[C@H]1C[N@H+](Cc2c(Cl)cc(O)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206003980 1022297715 /nfs/dbraw/zinc/29/77/15/1022297715.db2.gz OIZKWXWWURAQIO-QWRGUYRKSA-N 2 0 317.260 3.506 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172195779 1033054688 /nfs/dbraw/zinc/05/46/88/1033054688.db2.gz BPIPPZXDWRBMOX-GOSISDBHSA-N 2 0 318.530 3.661 20 0 DHADRP c1[nH]nc2c1[C@H]([NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000367629832 1022419396 /nfs/dbraw/zinc/41/93/96/1022419396.db2.gz BNVADWNOSDZFGC-LJQANCHMSA-N 2 0 324.472 3.563 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000651403755 1022432992 /nfs/dbraw/zinc/43/29/92/1022432992.db2.gz XKACTLFXLCEMMV-SNPRPXQTSA-N 2 0 306.416 3.818 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CC3=CC[N@H+](C)CC3)ccc2c1 ZINC000271825539 1022484795 /nfs/dbraw/zinc/48/47/95/1022484795.db2.gz CYYDWDFBGWRZOD-HNNXBMFYSA-N 2 0 310.441 3.761 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000156876006 1022503375 /nfs/dbraw/zinc/50/33/75/1022503375.db2.gz YAUGYUOAILXJGD-SWLSCSKDSA-N 2 0 315.288 3.998 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000272574518 1022508433 /nfs/dbraw/zinc/50/84/33/1022508433.db2.gz PQJCZUADEDPOOE-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP C[NH+](C)CCC(C)(C)Nc1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001169717653 1022517913 /nfs/dbraw/zinc/51/79/13/1022517913.db2.gz HIONZXTUGFFSEY-UHFFFAOYSA-N 2 0 307.457 3.564 20 0 DHADRP c1ccc(SCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157204986 1022532527 /nfs/dbraw/zinc/53/25/27/1022532527.db2.gz SKLYKVMVWLJTGD-KRWDZBQOSA-N 2 0 304.503 3.729 20 0 DHADRP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206023625 1022570024 /nfs/dbraw/zinc/57/00/24/1022570024.db2.gz FXTQWMOFMVGHSR-STQMWFEESA-N 2 0 312.910 3.869 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(F)cc1 ZINC001172246220 1033066564 /nfs/dbraw/zinc/06/65/64/1033066564.db2.gz HUIGZWOXDLZSHY-IBGZPJMESA-N 2 0 322.468 3.757 20 0 DHADRP COCCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000364025359 1022593551 /nfs/dbraw/zinc/59/35/51/1022593551.db2.gz QSCWJGZPAOTWGC-AYHJJNSGSA-N 2 0 308.510 3.578 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000584683952 1022618096 /nfs/dbraw/zinc/61/80/96/1022618096.db2.gz LQSCMHOUPAODGM-RNIPGJKVSA-N 2 0 310.526 3.559 20 0 DHADRP Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168358935 1033068125 /nfs/dbraw/zinc/06/81/25/1033068125.db2.gz YLXMUUUGSHIZDL-QGZVFWFLSA-N 2 0 316.489 3.535 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccnc3ccccc23)CC1 ZINC001204087518 1033072049 /nfs/dbraw/zinc/07/20/49/1033072049.db2.gz PXTISSBTAKVCBL-UHFFFAOYSA-N 2 0 311.473 3.787 20 0 DHADRP CCc1nocc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000660202693 1022705412 /nfs/dbraw/zinc/70/54/12/1022705412.db2.gz GLZYPFMAKAXYHD-ZDUSSCGKSA-N 2 0 310.401 3.582 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417861863 1022872834 /nfs/dbraw/zinc/87/28/34/1022872834.db2.gz AXFCIUZEIFIRPJ-HOJAQTOUSA-N 2 0 300.490 3.892 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417862622 1022874480 /nfs/dbraw/zinc/87/44/80/1022874480.db2.gz CTNGTJGDKGKTFQ-PMACEKPBSA-N 2 0 300.490 3.892 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCCO2 ZINC000768094206 1022878920 /nfs/dbraw/zinc/87/89/20/1022878920.db2.gz URAFDEZPFPTTHK-FHWLQOOXSA-N 2 0 314.473 3.679 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)NC1CC[NH+](CC)CC1 ZINC000159285605 1022895458 /nfs/dbraw/zinc/89/54/58/1022895458.db2.gz GJELTEJKRTXWHO-CYBMUJFWSA-N 2 0 310.869 3.874 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414908370 1022904010 /nfs/dbraw/zinc/90/40/10/1022904010.db2.gz BGVFNFUYSKTPDX-MNOVXSKESA-N 2 0 306.759 3.718 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(Cl)c(C)c2)CC1 ZINC000768304077 1022943298 /nfs/dbraw/zinc/94/32/98/1022943298.db2.gz RZQSAWIEBVLOCG-UHFFFAOYSA-N 2 0 323.912 3.987 20 0 DHADRP FC1(F)CC(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000293798022 1022971123 /nfs/dbraw/zinc/97/11/23/1022971123.db2.gz UTZBCNSOKGBVEA-RCCFBDPRSA-N 2 0 320.427 3.532 20 0 DHADRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000310081730 1022999351 /nfs/dbraw/zinc/99/93/51/1022999351.db2.gz JUIDOAJLBBAYDN-SFHVURJKSA-N 2 0 322.456 3.535 20 0 DHADRP CC[N@@H+]1CC[C@H](NCc2ccc(F)cc2CSC)[C@H](C)C1 ZINC000167113247 1023031343 /nfs/dbraw/zinc/03/13/43/1023031343.db2.gz YGDCTWNWNVRMHE-DYVFJYSZSA-N 2 0 310.482 3.509 20 0 DHADRP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000649418251 1023038889 /nfs/dbraw/zinc/03/88/89/1023038889.db2.gz QDDJDZNUPLDVJP-HUUCEWRRSA-N 2 0 321.534 3.652 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001167754591 1023048873 /nfs/dbraw/zinc/04/88/73/1023048873.db2.gz ZNBOCBAHTAAADG-QFBILLFUSA-N 2 0 301.478 3.788 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCSCC1 ZINC000249870981 1023064736 /nfs/dbraw/zinc/06/47/36/1023064736.db2.gz GEQYQWFORAWPRC-ZOBUZTSGSA-N 2 0 310.551 3.761 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249978020 1023065879 /nfs/dbraw/zinc/06/58/79/1023065879.db2.gz YHLALKJDDVPFLL-YSIASYRMSA-N 2 0 300.490 3.770 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000249976247 1023066893 /nfs/dbraw/zinc/06/68/93/1023066893.db2.gz YEBUHHQDCSPDPX-AYWYSENESA-N 2 0 312.501 3.913 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000769329259 1023124886 /nfs/dbraw/zinc/12/48/86/1023124886.db2.gz KQHXQWSMJASXDZ-PMACEKPBSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCCCC2)CCN1C ZINC000769484207 1023152434 /nfs/dbraw/zinc/15/24/34/1023152434.db2.gz GIWHXAZKEKGQSA-HKUYNNGSSA-N 2 0 315.505 3.591 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000367683841 1023181132 /nfs/dbraw/zinc/18/11/32/1023181132.db2.gz DUDGGKMZTKLORH-IQZDNPOKSA-N 2 0 316.514 3.523 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001172332528 1033117157 /nfs/dbraw/zinc/11/71/57/1033117157.db2.gz IKVMWJXKEUSLHU-IRXDYDNUSA-N 2 0 304.478 3.530 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001172337297 1033120210 /nfs/dbraw/zinc/12/02/10/1033120210.db2.gz PNHYTVHPRJZTII-DLBZAZTESA-N 2 0 310.526 3.967 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000337654103 1033122657 /nfs/dbraw/zinc/12/26/57/1033122657.db2.gz DIVCWRCJLYJPEH-GOSISDBHSA-N 2 0 316.395 3.804 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccccc1Cl)C2 ZINC000660662687 1023368462 /nfs/dbraw/zinc/36/84/62/1023368462.db2.gz LCUIJRLVFSAAFY-SFHVURJKSA-N 2 0 306.881 3.690 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925719206 1023416736 /nfs/dbraw/zinc/41/67/36/1023416736.db2.gz MBNJJBLKFYMXPC-HUUCEWRRSA-N 2 0 302.453 3.816 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172349360 1033131344 /nfs/dbraw/zinc/13/13/44/1033131344.db2.gz LSLBVAYNZYGXLP-GBESFXJTSA-N 2 0 322.537 3.990 20 0 DHADRP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000651728621 1023501812 /nfs/dbraw/zinc/50/18/12/1023501812.db2.gz DZQIVOCYJBUVRU-KRWDZBQOSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)C[C@@H]1C ZINC001172367143 1033147005 /nfs/dbraw/zinc/14/70/05/1033147005.db2.gz RDHYTGALTBFCOO-HBFSDRIKSA-N 2 0 322.537 3.636 20 0 DHADRP C[NH+](C)CC1CCN(c2ccc(NCC3(C)CC3)cc2)CC1 ZINC000785497621 1023583959 /nfs/dbraw/zinc/58/39/59/1023583959.db2.gz UTFUHMFPWXQYKE-UHFFFAOYSA-N 2 0 301.478 3.677 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C[C@H]1C ZINC001172365555 1033143886 /nfs/dbraw/zinc/14/38/86/1033143886.db2.gz ABKDMIUEIBPXES-MDZRGWNJSA-N 2 0 318.480 3.986 20 0 DHADRP CC[N@H+](CCC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C1CCCCC1 ZINC000651910271 1023631174 /nfs/dbraw/zinc/63/11/74/1023631174.db2.gz NLXSLROKPOBJJY-XGPVDZAGSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1C ZINC001172368343 1033149098 /nfs/dbraw/zinc/14/90/98/1033149098.db2.gz OAFHLAZXUWPCOE-FUHIMQAGSA-N 2 0 322.537 3.539 20 0 DHADRP COc1cccc([C@]2(C)CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000661707884 1023697209 /nfs/dbraw/zinc/69/72/09/1023697209.db2.gz AHAIKEMSDJBZFK-UYAOXDASSA-N 2 0 316.489 3.533 20 0 DHADRP CCOCC[C@H](C)[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172421935 1033160407 /nfs/dbraw/zinc/16/04/07/1033160407.db2.gz QRVYGNIBZUUFCU-IHPCNDPISA-N 2 0 318.505 3.882 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCCn2ccnc2C)s1 ZINC000164590886 1023799452 /nfs/dbraw/zinc/79/94/52/1023799452.db2.gz DOXUWJVBGMJYDX-GFCCVEGCSA-N 2 0 306.479 3.650 20 0 DHADRP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1c1ccccc1 ZINC000788022451 1023846913 /nfs/dbraw/zinc/84/69/13/1023846913.db2.gz NYYURJKZGRLOHX-QUCCMNQESA-N 2 0 300.490 3.844 20 0 DHADRP c1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccnc2c1 ZINC000538750152 1033168253 /nfs/dbraw/zinc/16/82/53/1033168253.db2.gz GNADWJJZBNVJDI-KRWDZBQOSA-N 2 0 309.457 3.543 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(C)c2O)[C@@H](C)C1 ZINC000245653937 1023891195 /nfs/dbraw/zinc/89/11/95/1023891195.db2.gz IGIYHBKOPTZBFS-XJKSGUPXSA-N 2 0 310.869 3.516 20 0 DHADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172384274 1033170077 /nfs/dbraw/zinc/17/00/77/1033170077.db2.gz VHLKDMLSWQESNY-RVKKMQEKSA-N 2 0 301.478 3.773 20 0 DHADRP Cc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCC2)cc1C ZINC000788606281 1023912752 /nfs/dbraw/zinc/91/27/52/1023912752.db2.gz FVMSFMBQHLMRLG-IHWFROFDSA-N 2 0 312.501 3.940 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000658358573 1023943034 /nfs/dbraw/zinc/94/30/34/1023943034.db2.gz WMPCGOWBLFWNOJ-CQSZACIVSA-N 2 0 320.452 3.607 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001172434891 1033176505 /nfs/dbraw/zinc/17/65/05/1033176505.db2.gz VQDHZVGIOVBZKO-QUCCMNQESA-N 2 0 318.505 3.692 20 0 DHADRP C[N@H+](CCC[NH3+])[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408354 1023985337 /nfs/dbraw/zinc/98/53/37/1023985337.db2.gz ZYMYPHHVLNUSFE-HUUCEWRRSA-N 2 0 300.368 3.622 20 0 DHADRP CC[C@H](CC(C)C)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172393918 1033178312 /nfs/dbraw/zinc/17/83/12/1033178312.db2.gz AXVGHJGZUVQNKB-GUDVDZBRSA-N 2 0 303.494 3.978 20 0 DHADRP Fc1cccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)c1 ZINC000662250233 1024030051 /nfs/dbraw/zinc/03/00/51/1024030051.db2.gz BLKBZXOLYJKBGH-UHFFFAOYSA-N 2 0 310.416 3.636 20 0 DHADRP c1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCS2)cc1 ZINC000662255498 1024039357 /nfs/dbraw/zinc/03/93/57/1024039357.db2.gz QCOWWJWXBDQINW-HXUWFJFHSA-N 2 0 324.493 3.622 20 0 DHADRP CC[C@H](CC(C)C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172400293 1033184419 /nfs/dbraw/zinc/18/44/19/1033184419.db2.gz IZJSETFPORCDIM-SJORKVTESA-N 2 0 310.526 3.823 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000662284727 1024065510 /nfs/dbraw/zinc/06/55/10/1024065510.db2.gz OYMIDDUJPBVILC-ZCNNSNEGSA-N 2 0 316.489 3.671 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC([C@@H]3CCC[NH2+]C3)CC1)CC2 ZINC000662291813 1024075215 /nfs/dbraw/zinc/07/52/15/1024075215.db2.gz KTGOQCJKDWQQJC-VQIMIIECSA-N 2 0 302.437 3.525 20 0 DHADRP c1ccc2sc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000662295699 1024077497 /nfs/dbraw/zinc/07/74/97/1024077497.db2.gz WMDHEJSZGZPFHB-OAHLLOKOSA-N 2 0 315.486 3.508 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876934462 1033186932 /nfs/dbraw/zinc/18/69/32/1033186932.db2.gz HSXPNOAQMRJTOF-MJBXVCDLSA-N 2 0 307.309 3.528 20 0 DHADRP CC[C@H](CC(C)C)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172401454 1033187263 /nfs/dbraw/zinc/18/72/63/1033187263.db2.gz PGIIMKPWPDWDQW-GUDVDZBRSA-N 2 0 303.494 3.978 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876934459 1033187581 /nfs/dbraw/zinc/18/75/81/1033187581.db2.gz HSXPNOAQMRJTOF-HZSPNIEDSA-N 2 0 307.309 3.528 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1CC[NH+](C)CC1 ZINC000130104220 1024131596 /nfs/dbraw/zinc/13/15/96/1024131596.db2.gz MCCBUMMPPMBHKU-GFCCVEGCSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1CC[NH+](C)CC1 ZINC000130104044 1024132091 /nfs/dbraw/zinc/13/20/91/1024132091.db2.gz MCCBUMMPPMBHKU-LBPRGKRZSA-N 2 0 315.288 3.856 20 0 DHADRP COc1ccccc1C[N@H+]([C@H]1CC[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170118290 1024165065 /nfs/dbraw/zinc/16/50/65/1024165065.db2.gz REOUTAZWYFYXGZ-WNHJNPCNSA-N 2 0 316.489 3.956 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c2ccccc12 ZINC000268809864 1024166974 /nfs/dbraw/zinc/16/69/74/1024166974.db2.gz ARELGLUFYKHSGC-OAHLLOKOSA-N 2 0 300.446 3.841 20 0 DHADRP c1c2ccncc2sc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343845 1024172270 /nfs/dbraw/zinc/17/22/70/1024172270.db2.gz GXBSRSKRJQKQBA-HNNXBMFYSA-N 2 0 315.486 3.508 20 0 DHADRP Cc1ccc2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000663343960 1024172709 /nfs/dbraw/zinc/17/27/09/1024172709.db2.gz KWOBLGIVRUPHMZ-QGZVFWFLSA-N 2 0 311.473 3.688 20 0 DHADRP Fc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000663345893 1024175274 /nfs/dbraw/zinc/17/52/74/1024175274.db2.gz NWQSCGIGQIGREO-AWEZNQCLSA-N 2 0 310.844 3.691 20 0 DHADRP c1nc(C2CCC2)sc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345050 1024175701 /nfs/dbraw/zinc/17/57/01/1024175701.db2.gz GGPFVCISOQIQHV-OAHLLOKOSA-N 2 0 319.518 3.622 20 0 DHADRP COCc1c(C)cc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000882941302 1024179126 /nfs/dbraw/zinc/17/91/26/1024179126.db2.gz NRUJQPVDWKLJHM-GOSISDBHSA-N 2 0 318.505 3.578 20 0 DHADRP Cc1cc(N2CCC(C)([NH+]3CCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000882964289 1024189810 /nfs/dbraw/zinc/18/98/10/1024189810.db2.gz YOASKOHSMWGPOO-UHFFFAOYSA-N 2 0 313.420 3.747 20 0 DHADRP c1ccc2c(c1)CC[C@H]2C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000790057164 1024214854 /nfs/dbraw/zinc/21/48/54/1024214854.db2.gz XRZOYZBWHQMSKJ-IBGZPJMESA-N 2 0 300.490 3.962 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc2c(c1)COC2 ZINC000269057041 1024232437 /nfs/dbraw/zinc/23/24/37/1024232437.db2.gz JHEVQIWFDVTLKX-HNNXBMFYSA-N 2 0 314.473 3.774 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000269067869 1024235855 /nfs/dbraw/zinc/23/58/55/1024235855.db2.gz ZFXRSBMZQZTXOC-NSHDSACASA-N 2 0 320.811 3.934 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000453071410 1024300118 /nfs/dbraw/zinc/30/01/18/1024300118.db2.gz MJMHQKYLFYSOIP-QGZVFWFLSA-N 2 0 311.473 3.644 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000453071409 1024300330 /nfs/dbraw/zinc/30/03/30/1024300330.db2.gz MJMHQKYLFYSOIP-KRWDZBQOSA-N 2 0 311.473 3.644 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC4(CC4)C3)CC2)ccn1 ZINC000883234878 1024306634 /nfs/dbraw/zinc/30/66/34/1024306634.db2.gz ODXUQBYHBXNWDO-LJQANCHMSA-N 2 0 313.489 3.606 20 0 DHADRP Clc1cccc([C@@H]2C[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168359679 1033203008 /nfs/dbraw/zinc/20/30/08/1033203008.db2.gz FFSGQZZELWZPOL-ROUUACIJSA-N 2 0 304.865 3.660 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccsc2)[C@H](C)C1 ZINC000453127130 1024356340 /nfs/dbraw/zinc/35/63/40/1024356340.db2.gz QWUFJRVLKUJHBH-NXHRZFHOSA-N 2 0 324.534 3.926 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c2nccn21 ZINC000453166930 1024378735 /nfs/dbraw/zinc/37/87/35/1024378735.db2.gz HSPCATDQPCYCBL-AQEOSJORSA-N 2 0 316.493 3.522 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000270407102 1024385815 /nfs/dbraw/zinc/38/58/15/1024385815.db2.gz BBHPQLXGMBLBRG-QGZVFWFLSA-N 2 0 318.505 3.588 20 0 DHADRP c1ccc2c(c1)CCC([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663465825 1024402786 /nfs/dbraw/zinc/40/27/86/1024402786.db2.gz LQXUBLQUVBGYSD-GOSISDBHSA-N 2 0 312.501 3.646 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000663468001 1024404449 /nfs/dbraw/zinc/40/44/49/1024404449.db2.gz JNVHNSOYENFWCY-YLJYHZDGSA-N 2 0 316.489 3.858 20 0 DHADRP Fc1ccccc1C1CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663466530 1024412012 /nfs/dbraw/zinc/41/20/12/1024412012.db2.gz VCWIGNVLLRXCMQ-AOCRQIFASA-N 2 0 316.464 3.783 20 0 DHADRP CC(C)C1([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000453235523 1024416473 /nfs/dbraw/zinc/41/64/73/1024416473.db2.gz XTDVYZWWFOKGRU-KRWDZBQOSA-N 2 0 300.490 3.860 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453237055 1024419038 /nfs/dbraw/zinc/41/90/38/1024419038.db2.gz MARSDSIBCPUVQX-HWRPDCHHSA-N 2 0 316.464 3.910 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663469915 1024422063 /nfs/dbraw/zinc/42/20/63/1024422063.db2.gz RRGXWWQDROTOGU-GDBMZVCRSA-N 2 0 320.452 3.607 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883424460 1024434130 /nfs/dbraw/zinc/43/41/30/1024434130.db2.gz TWQWECCLYQQZON-DGDSNLKDSA-N 2 0 314.473 3.641 20 0 DHADRP C[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424455 1024434241 /nfs/dbraw/zinc/43/42/41/1024434241.db2.gz SQYMZTBMSVKDEI-WSCSCYJOSA-N 2 0 314.473 3.512 20 0 DHADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000883424442 1024434356 /nfs/dbraw/zinc/43/43/56/1024434356.db2.gz SIZQOKNNQPGLNP-UXHICEINSA-N 2 0 316.489 3.618 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883462607 1024440090 /nfs/dbraw/zinc/44/00/90/1024440090.db2.gz VJXSFKZRKBOAOA-FVJLSDCUSA-N 2 0 322.452 3.672 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883462606 1024440983 /nfs/dbraw/zinc/44/09/83/1024440983.db2.gz VJXSFKZRKBOAOA-FIKGOQFSSA-N 2 0 322.452 3.672 20 0 DHADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000877031858 1033211890 /nfs/dbraw/zinc/21/18/90/1033211890.db2.gz WJSFJUQLUHQEDP-GGPKGHCWSA-N 2 0 320.521 3.744 20 0 DHADRP Cc1cccnc1CC[NH2+][C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000453304388 1024453345 /nfs/dbraw/zinc/45/33/45/1024453345.db2.gz GBFYYJBGTCBIDZ-NQIIRXRSSA-N 2 0 323.484 3.575 20 0 DHADRP CCOC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167823324 1024465189 /nfs/dbraw/zinc/46/51/89/1024465189.db2.gz KQEZKMJBSVDCOF-OTWHNJEPSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@H]1C[C@@H]([NH+]2CCC(Cc3c(F)cccc3F)CC2)CCN1C ZINC000453341241 1024468849 /nfs/dbraw/zinc/46/88/49/1024468849.db2.gz COTHIHRNFHPLDI-HOCLYGCPSA-N 2 0 322.443 3.702 20 0 DHADRP Cc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1Oc1cccnc1 ZINC000663498106 1024487407 /nfs/dbraw/zinc/48/74/07/1024487407.db2.gz LJFCPBUFIUDJDV-GOSISDBHSA-N 2 0 313.445 3.645 20 0 DHADRP COc1ccc([C@H]([NH2+]CCCC[N@H+](C)C2CC2)C(C)C)cc1 ZINC000453399813 1024497087 /nfs/dbraw/zinc/49/70/87/1024497087.db2.gz LOHFMRUDSWKCCT-LJQANCHMSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000453398261 1024498345 /nfs/dbraw/zinc/49/83/45/1024498345.db2.gz KKWUZHHZVJNXHJ-FQEVSTJZSA-N 2 0 300.490 3.780 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C1CC1 ZINC000453401120 1024499589 /nfs/dbraw/zinc/49/95/89/1024499589.db2.gz MQMBLMVLTQNXIW-PXNSSMCTSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@H]1CC[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)O1 ZINC000453413354 1024506655 /nfs/dbraw/zinc/50/66/55/1024506655.db2.gz RQYDUMZPSQBGJZ-CMTQZCSUSA-N 2 0 316.489 3.587 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000453415029 1024507988 /nfs/dbraw/zinc/50/79/88/1024507988.db2.gz WYXGSMHXTTVDDU-ICSRJNTNSA-N 2 0 300.490 3.961 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001167827209 1024508344 /nfs/dbraw/zinc/50/83/44/1024508344.db2.gz USCVHESIFGTZLM-QFBILLFUSA-N 2 0 322.468 3.789 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000453421369 1024518176 /nfs/dbraw/zinc/51/81/76/1024518176.db2.gz LYTNTITXZMMOCP-LMMKCTJWSA-N 2 0 322.537 3.824 20 0 DHADRP CCCOc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000314294311 1024520563 /nfs/dbraw/zinc/52/05/63/1024520563.db2.gz CYINPOGNDAPMDE-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cccc(-c2ccncc2)c1)C1CC1 ZINC000453593518 1024535316 /nfs/dbraw/zinc/53/53/16/1024535316.db2.gz GNFOHGQJBYTXJK-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000643534000 1024538503 /nfs/dbraw/zinc/53/85/03/1024538503.db2.gz JGGFSVUKXQHRLF-CABCVRRESA-N 2 0 323.278 3.632 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000532166410 1024567846 /nfs/dbraw/zinc/56/78/46/1024567846.db2.gz XQUGQMLBYLGLMS-QGZVFWFLSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000925798538 1024586527 /nfs/dbraw/zinc/58/65/27/1024586527.db2.gz LLESZSWQVQYWFL-IJEWVQPXSA-N 2 0 315.486 3.706 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1cn2ccc(C)cc2n1 ZINC001167835245 1024613258 /nfs/dbraw/zinc/61/32/58/1024613258.db2.gz PPPNLPSRAJCQRU-QGZVFWFLSA-N 2 0 316.493 3.585 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001167840949 1024654300 /nfs/dbraw/zinc/65/43/00/1024654300.db2.gz INTZYXIEUZEKPU-MJGOQNOKSA-N 2 0 318.505 3.995 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168152482 1024665055 /nfs/dbraw/zinc/66/50/55/1024665055.db2.gz VLNLWKMIDIVJCC-HNNXBMFYSA-N 2 0 308.897 3.981 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc(CO)c1 ZINC000760165213 1024683533 /nfs/dbraw/zinc/68/35/33/1024683533.db2.gz AXYYEYQIUONCHM-DZIBYMRMSA-N 2 0 316.489 3.627 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000349199015 1024686639 /nfs/dbraw/zinc/68/66/39/1024686639.db2.gz XKZGAWUXAJZFFP-UHFFFAOYSA-N 2 0 315.461 3.675 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666100169 1024693741 /nfs/dbraw/zinc/69/37/41/1024693741.db2.gz NZCGZLOGDIXZRG-MRXNPFEDSA-N 2 0 306.881 3.660 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001170195289 1024696525 /nfs/dbraw/zinc/69/65/25/1024696525.db2.gz SUGGQZOCYVOVQH-PMACEKPBSA-N 2 0 300.490 3.915 20 0 DHADRP CC[C@H]1C[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197542 1024697733 /nfs/dbraw/zinc/69/77/33/1024697733.db2.gz XMCINVRFWYOLTD-WTGUMLROSA-N 2 0 316.489 3.716 20 0 DHADRP C[C@H](Cc1ccccc1Cl)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001170250244 1024723931 /nfs/dbraw/zinc/72/39/31/1024723931.db2.gz INUGADBLCVNBCA-MRXNPFEDSA-N 2 0 308.897 3.983 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349631971 1024733816 /nfs/dbraw/zinc/73/38/16/1024733816.db2.gz PNBDUSIKTGYKKM-STQMWFEESA-N 2 0 315.914 3.644 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666172107 1024749360 /nfs/dbraw/zinc/74/93/60/1024749360.db2.gz BQOUNJXOTQAPCG-GDBMZVCRSA-N 2 0 306.881 3.519 20 0 DHADRP C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)C1CC[NH+](C)CC1 ZINC000666209260 1024785656 /nfs/dbraw/zinc/78/56/56/1024785656.db2.gz NHNNIRDLODFGDW-AWEZNQCLSA-N 2 0 322.443 3.706 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000350515693 1024822180 /nfs/dbraw/zinc/82/21/80/1024822180.db2.gz TUWZSNKCXYKPHF-FPOVZHCZSA-N 2 0 323.484 3.562 20 0 DHADRP CC(C)(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000643463546 1024846567 /nfs/dbraw/zinc/84/65/67/1024846567.db2.gz CPKZOMBOWNAPLO-QRVBRYPASA-N 2 0 300.490 3.865 20 0 DHADRP CC(C)(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000643463543 1024847323 /nfs/dbraw/zinc/84/73/23/1024847323.db2.gz CPKZOMBOWNAPLO-GUDVDZBRSA-N 2 0 300.490 3.865 20 0 DHADRP C[C@H](CC[NH+](C)C)N[C@H](C)c1cc(Br)cs1 ZINC000226394453 1024884689 /nfs/dbraw/zinc/88/46/89/1024884689.db2.gz DBDBBARMTUWSFZ-NXEZZACHSA-N 2 0 305.285 3.501 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000119121171 1024949076 /nfs/dbraw/zinc/94/90/76/1024949076.db2.gz AMKYTJYXRKBFQP-HRAATJIYSA-N 2 0 324.468 3.965 20 0 DHADRP Fc1ccc([C@@H](C[C@@H]2CCCO2)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000353387968 1025049717 /nfs/dbraw/zinc/04/97/17/1025049717.db2.gz PBRFHADABHQZLL-RBUKOAKNSA-N 2 0 320.452 3.511 20 0 DHADRP c1sc2ccccc2c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197329 1025057752 /nfs/dbraw/zinc/05/77/52/1025057752.db2.gz LEVSVNJEJJBNFQ-KRWDZBQOSA-N 2 0 300.471 3.865 20 0 DHADRP C[C@H](NCC1(C[NH+](C)C)CCCC1)c1cnn(C2CCCC2)c1 ZINC000337456496 1025074942 /nfs/dbraw/zinc/07/49/42/1025074942.db2.gz JGOKVKYPIUVWCW-INIZCTEOSA-N 2 0 318.509 3.771 20 0 DHADRP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353451691 1025076208 /nfs/dbraw/zinc/07/62/08/1025076208.db2.gz WWMKGGFYWYHACA-AWEZNQCLSA-N 2 0 304.356 3.578 20 0 DHADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCC[NH+](C)C ZINC001172564010 1033257595 /nfs/dbraw/zinc/25/75/95/1033257595.db2.gz ASTUAZHLTIEHRU-GFCCVEGCSA-N 2 0 318.839 3.871 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000400938493 1025175516 /nfs/dbraw/zinc/17/55/16/1025175516.db2.gz LBQAJBYVLXJCMY-GZBFAFLISA-N 2 0 313.272 3.514 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000539069358 1033265779 /nfs/dbraw/zinc/26/57/79/1033265779.db2.gz YXYLUZLIOXHGFV-GDBMZVCRSA-N 2 0 310.869 3.571 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924682757 1033266234 /nfs/dbraw/zinc/26/62/34/1033266234.db2.gz DKSXCMIIZNFWEL-KVPLUYHFSA-N 2 0 322.537 3.539 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c3cccnc23)[C@@H](C)C1 ZINC000353747372 1025226710 /nfs/dbraw/zinc/22/67/10/1025226710.db2.gz ADONIFXCBBDCGD-KBXCAEBGSA-N 2 0 315.436 3.536 20 0 DHADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000666611896 1025247448 /nfs/dbraw/zinc/24/74/48/1025247448.db2.gz PBXUGDVRTYGMEB-JSGCOSHPSA-N 2 0 300.368 3.525 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CCC1 ZINC000353945798 1025302635 /nfs/dbraw/zinc/30/26/35/1025302635.db2.gz RSPFSXQHPXXNDZ-BRWVUGGUSA-N 2 0 316.489 3.574 20 0 DHADRP CC1CCC([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CC1 ZINC001168205695 1025320882 /nfs/dbraw/zinc/32/08/82/1025320882.db2.gz JQHHZUVYVCTXTQ-UHFFFAOYSA-N 2 0 304.453 3.740 20 0 DHADRP Cc1nc2c(c(NC3CC(C)(C)[NH+](C)C(C)(C)C3)n1)CCCC2 ZINC001170453510 1025328360 /nfs/dbraw/zinc/32/83/60/1025328360.db2.gz LBCWPWHTJKPIFX-UHFFFAOYSA-N 2 0 316.493 3.727 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000124356246 1025336283 /nfs/dbraw/zinc/33/62/83/1025336283.db2.gz YTLCTUKTUJAXJT-QWHCGFSZSA-N 2 0 312.379 3.840 20 0 DHADRP COCCC1([NH3+])CC[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172545681 1033277852 /nfs/dbraw/zinc/27/78/52/1033277852.db2.gz LWQXYCDAQBEMIB-MOPGFXCFSA-N 2 0 316.489 3.543 20 0 DHADRP CCC[C@H](O)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000927018849 1033278296 /nfs/dbraw/zinc/27/82/96/1033278296.db2.gz PGOCBUBXUWVXOL-MHJFOBGBSA-N 2 0 318.505 3.570 20 0 DHADRP CCC[C@@H](O)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000927018850 1033278431 /nfs/dbraw/zinc/27/84/31/1033278431.db2.gz PGOCBUBXUWVXOL-SOAGJPPSSA-N 2 0 318.505 3.570 20 0 DHADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000877314981 1033280501 /nfs/dbraw/zinc/28/05/01/1033280501.db2.gz GYEFPGZIPKBHSQ-XFQAVAEZSA-N 2 0 318.442 3.564 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000885905116 1025402192 /nfs/dbraw/zinc/40/21/92/1025402192.db2.gz IBZFFLDRALFBLW-PMACEKPBSA-N 2 0 316.489 3.720 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000885948789 1025415452 /nfs/dbraw/zinc/41/54/52/1025415452.db2.gz FPXYASCEFFDTDO-PMACEKPBSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885969539 1025423934 /nfs/dbraw/zinc/42/39/34/1025423934.db2.gz VRCVJSFTQBZZRC-ZWKOTPCHSA-N 2 0 308.510 3.578 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000886043531 1025449593 /nfs/dbraw/zinc/44/95/93/1025449593.db2.gz DNBMNFOYHBZFBS-YNIZLOQISA-N 2 0 322.537 3.967 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C)OCc2ccccc2)[C@H](C)C1 ZINC000354670648 1025478069 /nfs/dbraw/zinc/47/80/69/1025478069.db2.gz LXXSSKHQLIXNLX-HBFSDRIKSA-N 2 0 318.505 3.644 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924685805 1033292617 /nfs/dbraw/zinc/29/26/17/1033292617.db2.gz QIIJCDNOUDYZDQ-LBVWLFBPSA-N 2 0 322.537 3.682 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000893940155 1025613193 /nfs/dbraw/zinc/61/31/93/1025613193.db2.gz JWUSQJDMFMERON-UHFFFAOYSA-N 2 0 323.893 3.723 20 0 DHADRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000886487862 1025647147 /nfs/dbraw/zinc/64/71/47/1025647147.db2.gz YBGNIJHXMIRUPO-UHFFFAOYSA-N 2 0 302.462 3.582 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccnc32)c1 ZINC000886515640 1025668153 /nfs/dbraw/zinc/66/81/53/1025668153.db2.gz UPOCSNNSGGFNPW-IBGZPJMESA-N 2 0 309.457 3.699 20 0 DHADRP CCC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCOCC1 ZINC000886534996 1025682978 /nfs/dbraw/zinc/68/29/78/1025682978.db2.gz SJCLPZSSTCEQPQ-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886543095 1025689374 /nfs/dbraw/zinc/68/93/74/1025689374.db2.gz KPMLULKIRSVAGA-UHFFFAOYSA-N 3 0 321.553 3.636 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000886639386 1025752743 /nfs/dbraw/zinc/75/27/43/1025752743.db2.gz CBRCCPAISHYTHE-WLYUNCDWSA-N 2 0 319.320 3.957 20 0 DHADRP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000886617477 1025745144 /nfs/dbraw/zinc/74/51/44/1025745144.db2.gz PILXQLAFMCXLKL-GJZGRUSLSA-N 2 0 304.400 3.527 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000886625156 1025746431 /nfs/dbraw/zinc/74/64/31/1025746431.db2.gz KASUGNPKBAMCGY-WLYUNCDWSA-N 2 0 306.416 3.962 20 0 DHADRP CC(C)OC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000886649723 1025759225 /nfs/dbraw/zinc/75/92/25/1025759225.db2.gz HDWABKHPDNTEFU-UHFFFAOYSA-N 2 0 308.510 3.721 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000262331212 1025763682 /nfs/dbraw/zinc/76/36/82/1025763682.db2.gz SKYKFRHDDXPGJF-QFBILLFUSA-N 2 0 304.478 3.624 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)C(C)(C)C ZINC000806140959 1025799580 /nfs/dbraw/zinc/79/95/80/1025799580.db2.gz OGRISHXPYIPDDZ-ZFWWWQNUSA-N 2 0 309.885 3.678 20 0 DHADRP CC(C)OCCC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001170502204 1025841905 /nfs/dbraw/zinc/84/19/05/1025841905.db2.gz XSHMQUYAQFVZCL-UHFFFAOYSA-N 2 0 318.505 3.919 20 0 DHADRP c1cnc2c(c1)cccc2C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000054317115 1025856151 /nfs/dbraw/zinc/85/61/51/1025856151.db2.gz BIGSYIKPUNLPNA-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP CN(Cc1ccc(F)cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262337169 1025857831 /nfs/dbraw/zinc/85/78/31/1025857831.db2.gz TYKVWFMWMHNSRG-PBWFPOADSA-N 2 0 316.342 3.559 20 0 DHADRP Cc1ccc2ncc(CN(C)C3CC[NH+](C(C)C)CC3)cc2c1 ZINC000411223179 1025882560 /nfs/dbraw/zinc/88/25/60/1025882560.db2.gz HTGSWFHAAFKJSN-UHFFFAOYSA-N 2 0 311.473 3.848 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000645146294 1025941633 /nfs/dbraw/zinc/94/16/33/1025941633.db2.gz NIXBYULYRMRYIW-UHFFFAOYSA-N 2 0 310.869 3.647 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215767 1026037751 /nfs/dbraw/zinc/03/77/51/1026037751.db2.gz MZYVWLLRXMNKDI-OAHLLOKOSA-N 2 0 321.534 3.808 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cncc(F)c1 ZINC000090775253 1026084927 /nfs/dbraw/zinc/08/49/27/1026084927.db2.gz UKHZNOARIDVBIN-MNNVXMFVSA-N 2 0 319.468 3.914 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000289809715 1026184003 /nfs/dbraw/zinc/18/40/03/1026184003.db2.gz PIEDVQNEQXMNRY-HOTGVXAUSA-N 2 0 320.477 3.564 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356842558 1026188522 /nfs/dbraw/zinc/18/85/22/1026188522.db2.gz KUKZNHMGFMSZEI-CYBMUJFWSA-N 2 0 309.523 3.957 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCOc2ccccc2)CC1 ZINC000052209438 1026260572 /nfs/dbraw/zinc/26/05/72/1026260572.db2.gz TWSGPGHVDDREBJ-UHFFFAOYSA-N 2 0 304.478 3.509 20 0 DHADRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167925600 1026281217 /nfs/dbraw/zinc/28/12/17/1026281217.db2.gz CQNNRMNQSAIFTD-VUHPKUFZSA-N 2 0 314.473 3.755 20 0 DHADRP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647796714 1026320687 /nfs/dbraw/zinc/32/06/87/1026320687.db2.gz KZAVLJQJJODAPZ-DMHIMHRUSA-N 2 0 304.865 3.564 20 0 DHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647796991 1026321649 /nfs/dbraw/zinc/32/16/49/1026321649.db2.gz TYUGPWDLWCNJAL-DMHIMHRUSA-N 2 0 304.865 3.564 20 0 DHADRP Cc1ncoc1CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000894179297 1026328450 /nfs/dbraw/zinc/32/84/50/1026328450.db2.gz PFZPAWLDFDCLCN-OAHLLOKOSA-N 2 0 313.445 3.505 20 0 DHADRP CCCCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C(C)(C)C ZINC000808676281 1026354342 /nfs/dbraw/zinc/35/43/42/1026354342.db2.gz JXRMURDXAGKWGM-ROUUACIJSA-N 2 0 311.558 3.597 20 0 DHADRP CC(C)C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000808733958 1026384779 /nfs/dbraw/zinc/38/47/79/1026384779.db2.gz GMYDZGDWHSSBIV-QGZVFWFLSA-N 2 0 308.510 3.578 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC(=O)C(C)C)CC1)CC(C)C ZINC000808743041 1026390342 /nfs/dbraw/zinc/39/03/42/1026390342.db2.gz PCYTWMBQMILLFH-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP Clc1[nH]c2ccccc2c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734727 1026436153 /nfs/dbraw/zinc/43/61/53/1026436153.db2.gz CXILPZYENMDENR-UHFFFAOYSA-N 2 0 317.864 3.787 20 0 DHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cncs2)C[N@@H+]1Cc1ccccc1 ZINC000513544698 1026537763 /nfs/dbraw/zinc/53/77/63/1026537763.db2.gz LOBSKGSOCQEWQY-DOTOQJQBSA-N 2 0 315.486 3.533 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000513665367 1026559610 /nfs/dbraw/zinc/55/96/10/1026559610.db2.gz DWKDDXYYCQXCMO-CEXWTWQISA-N 2 0 316.464 3.611 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CCOc3ccccc32)cc1 ZINC000809739129 1026611347 /nfs/dbraw/zinc/61/13/47/1026611347.db2.gz YFUQLIRGAFPSEB-IBGZPJMESA-N 2 0 324.468 3.746 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647884063 1026647770 /nfs/dbraw/zinc/64/77/70/1026647770.db2.gz BDTXKXOLLYYHLB-GOSISDBHSA-N 2 0 302.462 3.612 20 0 DHADRP COc1ccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)cc1 ZINC000513697185 1026667776 /nfs/dbraw/zinc/66/77/76/1026667776.db2.gz KQVVLDQVAPFHOH-FAFZWHIHSA-N 2 0 302.462 3.609 20 0 DHADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000513698274 1026671262 /nfs/dbraw/zinc/67/12/62/1026671262.db2.gz YOWGZZJHJKKNJH-BBWFWOEESA-N 2 0 304.503 3.679 20 0 DHADRP Cc1ccccc1[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000647886618 1026681113 /nfs/dbraw/zinc/68/11/13/1026681113.db2.gz CFPOWSKUUBMACO-FXAWDEMLSA-N 2 0 316.489 3.537 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000810252384 1026729239 /nfs/dbraw/zinc/72/92/39/1026729239.db2.gz OBMODBDIFJWXBE-HNNXBMFYSA-N 2 0 322.518 3.563 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000420293840 1026794519 /nfs/dbraw/zinc/79/45/19/1026794519.db2.gz ANYZMVXBYXOHLE-CTNGQTDRSA-N 2 0 324.468 3.869 20 0 DHADRP Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000420254661 1026794709 /nfs/dbraw/zinc/79/47/09/1026794709.db2.gz GOENSJMPAMWUNT-UONOGXRCSA-N 2 0 315.848 3.551 20 0 DHADRP c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000420296346 1026795200 /nfs/dbraw/zinc/79/52/00/1026795200.db2.gz BMEWTYUHJBBTMK-UWJYYQICSA-N 2 0 306.453 3.634 20 0 DHADRP Brc1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420298319 1026797000 /nfs/dbraw/zinc/79/70/00/1026797000.db2.gz DXRQVHCCBCXDBH-XJKSGUPXSA-N 2 0 323.278 3.586 20 0 DHADRP Brc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420318856 1026802799 /nfs/dbraw/zinc/80/27/99/1026802799.db2.gz PAKBWFBRJPKZRX-XJKSGUPXSA-N 2 0 323.278 3.586 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000420319968 1026803831 /nfs/dbraw/zinc/80/38/31/1026803831.db2.gz PSVZASNVOGAKOO-MRXNPFEDSA-N 2 0 318.848 3.523 20 0 DHADRP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340525 1026804217 /nfs/dbraw/zinc/80/42/17/1026804217.db2.gz SHDMPXRUEPFQEL-QZTJIDSGSA-N 2 0 308.416 3.880 20 0 DHADRP FC(F)(F)c1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420318295 1026804263 /nfs/dbraw/zinc/80/42/63/1026804263.db2.gz OJRIDRPDNJSKQE-CYBMUJFWSA-N 2 0 312.379 3.669 20 0 DHADRP FCCCCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321285 1026804846 /nfs/dbraw/zinc/80/48/46/1026804846.db2.gz ZWJWBOGNCCNLAO-MRXNPFEDSA-N 2 0 310.482 3.832 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331406 1026807473 /nfs/dbraw/zinc/80/74/73/1026807473.db2.gz QSVXZOPPLHNWMW-VNQPRFMTSA-N 2 0 324.415 3.671 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000420372568 1026809713 /nfs/dbraw/zinc/80/97/13/1026809713.db2.gz YHFGOMIILLCOCI-LJQANCHMSA-N 2 0 312.457 3.586 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000420364508 1026810133 /nfs/dbraw/zinc/81/01/33/1026810133.db2.gz CXENCIYJKLJTTN-UKRRQHHQSA-N 2 0 312.404 3.718 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388893 1026811893 /nfs/dbraw/zinc/81/18/93/1026811893.db2.gz XIAXAYNPXLCPND-NRFANRHFSA-N 2 0 304.437 3.832 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000420421230 1026814178 /nfs/dbraw/zinc/81/41/78/1026814178.db2.gz YOCXATJJLJYLAE-STQMWFEESA-N 2 0 316.367 3.626 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420413947 1026814326 /nfs/dbraw/zinc/81/43/26/1026814326.db2.gz UCZXTRKWGGXHRE-HIFRSBDPSA-N 2 0 300.368 3.541 20 0 DHADRP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)CC1CC[NH+](C)CC1 ZINC000513737171 1026918480 /nfs/dbraw/zinc/91/84/80/1026918480.db2.gz WFYZDXLPMCRZRI-UHFFFAOYSA-N 2 0 316.489 3.564 20 0 DHADRP COc1cccc2c(C[NH2+]C3CCC([NH+](C)C)CC3)cccc12 ZINC000421369785 1026966096 /nfs/dbraw/zinc/96/60/96/1026966096.db2.gz HQDIHLSNMDGCEA-UHFFFAOYSA-N 2 0 312.457 3.811 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)CCCCC1 ZINC000421823031 1027056008 /nfs/dbraw/zinc/05/60/08/1027056008.db2.gz YMHSZEJJDXINEE-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1Cl ZINC000421822405 1027056636 /nfs/dbraw/zinc/05/66/36/1027056636.db2.gz WTYIUCQOJJNOHA-GJZGRUSLSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000421822440 1027056705 /nfs/dbraw/zinc/05/67/05/1027056705.db2.gz XACISUISHGPREK-WQVCFCJDSA-N 2 0 310.844 3.627 20 0 DHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000421848604 1027077038 /nfs/dbraw/zinc/07/70/38/1027077038.db2.gz AQDAGHPIIZICLC-CYBMUJFWSA-N 2 0 322.880 3.874 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CCS2 ZINC000421893689 1027083083 /nfs/dbraw/zinc/08/30/83/1027083083.db2.gz ZUMKZHNWJBZKQZ-KVULBXGLSA-N 2 0 320.502 3.695 20 0 DHADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000271715030 1027123945 /nfs/dbraw/zinc/12/39/45/1027123945.db2.gz PAGZDVBVTXLIOV-IBGZPJMESA-N 2 0 302.437 3.810 20 0 DHADRP CC[NH+]1CCC([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000271740472 1027131599 /nfs/dbraw/zinc/13/15/99/1027131599.db2.gz VDXIYBMBPZXXGN-HXUWFJFHSA-N 2 0 316.489 3.545 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cs1 ZINC000295220423 1027151451 /nfs/dbraw/zinc/15/14/51/1027151451.db2.gz QYAQEPKEHNGPGL-UHFFFAOYSA-N 2 0 318.486 3.677 20 0 DHADRP CC(C)C[N@@H+](Cc1coc(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000931561805 1027168041 /nfs/dbraw/zinc/16/80/41/1027168041.db2.gz MKMXEGKCYWJNFT-UHFFFAOYSA-N 2 0 321.509 3.772 20 0 DHADRP COC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000562017549 1027181575 /nfs/dbraw/zinc/18/15/75/1027181575.db2.gz GSUUFIBMPJUHOE-NSHGMRRFSA-N 2 0 318.505 3.722 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000572653378 1027220366 /nfs/dbraw/zinc/22/03/66/1027220366.db2.gz KERACKDKPXATLV-PBHICJAKSA-N 2 0 322.468 3.922 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000572678330 1027221121 /nfs/dbraw/zinc/22/11/21/1027221121.db2.gz NMQDBLXANUPLHV-MJGOQNOKSA-N 2 0 318.505 3.549 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000562089470 1027231024 /nfs/dbraw/zinc/23/10/24/1027231024.db2.gz ANUHEDXMGPCGRH-GGPKGHCWSA-N 2 0 323.569 3.740 20 0 DHADRP CCC1(CC)CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000362507184 1027252434 /nfs/dbraw/zinc/25/24/34/1027252434.db2.gz VHAPBNIFWGUTQF-UHFFFAOYSA-N 2 0 312.461 3.978 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000362526568 1027265304 /nfs/dbraw/zinc/26/53/04/1027265304.db2.gz SLNZVFWQZZMBQN-UHFFFAOYSA-N 2 0 306.812 3.831 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000573335036 1027282289 /nfs/dbraw/zinc/28/22/89/1027282289.db2.gz DPWMJFJGRLXORN-RHSMWYFYSA-N 2 0 314.404 3.930 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000573335037 1027283572 /nfs/dbraw/zinc/28/35/72/1027283572.db2.gz DPWMJFJGRLXORN-WMLDXEAASA-N 2 0 314.404 3.930 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(-c3ccsc3)s2)C[C@H]1C[NH3+] ZINC000422561111 1027285245 /nfs/dbraw/zinc/28/52/45/1027285245.db2.gz JBHMJSPUBHCZKQ-MBNYWOFBSA-N 2 0 321.515 3.677 20 0 DHADRP c1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422698935 1027295970 /nfs/dbraw/zinc/29/59/70/1027295970.db2.gz BVEWFAADFZKMCU-MISYRCLQSA-N 2 0 309.457 3.635 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422703027 1027296776 /nfs/dbraw/zinc/29/67/76/1027296776.db2.gz GQDAWUGTUXMVHB-GBESFXJTSA-N 2 0 300.490 3.783 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCCCc1ccccc1 ZINC000422708760 1027297667 /nfs/dbraw/zinc/29/76/67/1027297667.db2.gz YDJZYQBXUHFFPE-INIZCTEOSA-N 2 0 311.473 3.912 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000422710899 1027297737 /nfs/dbraw/zinc/29/77/37/1027297737.db2.gz LVXVREXGVZCXME-CWFSZBLJSA-N 2 0 309.457 3.836 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704914 1027297827 /nfs/dbraw/zinc/29/78/27/1027297827.db2.gz QNTWRFKYHIKALA-HBXLWWENSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422730516 1027300440 /nfs/dbraw/zinc/30/04/40/1027300440.db2.gz JXSCNSGZSFYAEB-IRXDYDNUSA-N 2 0 317.521 3.667 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000422732125 1027300543 /nfs/dbraw/zinc/30/05/43/1027300543.db2.gz OWZWCQPJDHXYRJ-UHFFFAOYSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422737907 1027305590 /nfs/dbraw/zinc/30/55/90/1027305590.db2.gz HVTRCDKZWIPDFK-QTXGHNMQSA-N 2 0 316.489 3.624 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCSCc1cccc2ccccc21 ZINC000422758564 1027306893 /nfs/dbraw/zinc/30/68/93/1027306893.db2.gz KKSTUQBHCOREEJ-CABCVRRESA-N 2 0 302.487 3.788 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422743546 1027310418 /nfs/dbraw/zinc/31/04/18/1027310418.db2.gz RRHSFZUVDGKZBH-GJZGRUSLSA-N 2 0 323.550 3.884 20 0 DHADRP Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422749182 1027312034 /nfs/dbraw/zinc/31/20/34/1027312034.db2.gz XXEFDZYXNWEBGC-YJBOKZPZSA-N 2 0 312.461 3.600 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422743547 1027312269 /nfs/dbraw/zinc/31/22/69/1027312269.db2.gz RRHSFZUVDGKZBH-HUUCEWRRSA-N 2 0 323.550 3.884 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422774250 1027313329 /nfs/dbraw/zinc/31/33/29/1027313329.db2.gz WGCUBEWWJQVGKF-QRVBRYPASA-N 2 0 318.530 3.739 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422754734 1027313725 /nfs/dbraw/zinc/31/37/25/1027313725.db2.gz GDFHEUFBRGMONL-BEFAXECRSA-N 2 0 314.448 3.651 20 0 DHADRP CCC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422767383 1027315044 /nfs/dbraw/zinc/31/50/44/1027315044.db2.gz MWOXEROQZDDQST-ADXGEFSYSA-N 2 0 322.537 3.728 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422775852 1027317736 /nfs/dbraw/zinc/31/77/36/1027317736.db2.gz BMPHTXRIZMEYOP-NMLACTOBSA-N 2 0 316.489 3.699 20 0 DHADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422779437 1027320248 /nfs/dbraw/zinc/32/02/48/1027320248.db2.gz ISMANSMAFYPVBZ-RYQLBKOJSA-N 2 0 306.881 3.783 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422776071 1027320303 /nfs/dbraw/zinc/32/03/03/1027320303.db2.gz CBYDCGUHPVQLFS-GBESFXJTSA-N 2 0 300.490 3.783 20 0 DHADRP c1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422764934 1027321751 /nfs/dbraw/zinc/32/17/51/1027321751.db2.gz VOQAPXBNRILOCD-RCCFBDPRSA-N 2 0 304.503 3.679 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422784439 1027323501 /nfs/dbraw/zinc/32/35/01/1027323501.db2.gz MBHNBAVWUOTMHN-SJORKVTESA-N 2 0 315.486 3.602 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000422801069 1027326698 /nfs/dbraw/zinc/32/66/98/1027326698.db2.gz BCGZXHSZBJQMFP-OBJOEFQTSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422803479 1027328175 /nfs/dbraw/zinc/32/81/75/1027328175.db2.gz IWJOBVQYANCVKW-SCWSEQNSSA-N 2 0 308.469 3.655 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422812147 1027330903 /nfs/dbraw/zinc/33/09/03/1027330903.db2.gz PZUDNTUMOZLXQT-VHSXEESVSA-N 2 0 309.401 3.720 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422833194 1027333354 /nfs/dbraw/zinc/33/33/54/1027333354.db2.gz VXNPCVSILSMKKC-HSALFYBXSA-N 2 0 316.489 3.874 20 0 DHADRP CCO[C@H](CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])C1CCCC1 ZINC000422817431 1027337408 /nfs/dbraw/zinc/33/74/08/1027337408.db2.gz CYPJHGYRHPXNSD-NSISKUIASA-N 2 0 318.505 3.520 20 0 DHADRP Cc1ccc(SC2(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])CCCC2)cc1 ZINC000422837997 1027337662 /nfs/dbraw/zinc/33/76/62/1027337662.db2.gz NLKXHZCNINOJJK-DLBZAZTESA-N 2 0 304.503 3.869 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccccc1F ZINC000422848784 1027338586 /nfs/dbraw/zinc/33/85/86/1027338586.db2.gz KKUXLUAFTTVSOI-DNVCBOLYSA-N 2 0 314.448 3.651 20 0 DHADRP COc1ccccc1[C@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422818124 1027340611 /nfs/dbraw/zinc/34/06/11/1027340611.db2.gz FROVQYIYAYLWJD-ONYGOOLBSA-N 2 0 302.462 3.655 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCCCC1)C1C[NH2+]C1 ZINC000422865110 1027341994 /nfs/dbraw/zinc/34/19/94/1027341994.db2.gz XGBLGKYHPAHGIV-AWEZNQCLSA-N 2 0 306.881 3.739 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422885685 1027351873 /nfs/dbraw/zinc/35/18/73/1027351873.db2.gz UXTMMQCOJPJRHL-ZWKOTPCHSA-N 3 0 317.521 3.668 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1cc(F)ccc1F ZINC000422917300 1027359159 /nfs/dbraw/zinc/35/91/59/1027359159.db2.gz FWFSBHDGLOFNBM-KZULUSFZSA-N 2 0 319.399 3.929 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1Oc2ccccc2[C@H]1C ZINC000422922255 1027362805 /nfs/dbraw/zinc/36/28/05/1027362805.db2.gz SIPSWSXQTHQWQV-VBHADHFHSA-N 2 0 308.425 3.674 20 0 DHADRP C[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C)C1C[NH2+]C1 ZINC000422922828 1027362935 /nfs/dbraw/zinc/36/29/35/1027362935.db2.gz QUPLNMKRMZKFJB-XHDPSFHLSA-N 2 0 314.395 3.990 20 0 DHADRP Cc1sc(C[NH2+][C@H](C)CCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422940558 1027370386 /nfs/dbraw/zinc/37/03/86/1027370386.db2.gz GZZCHOGWBCUJJK-LLVKDONJSA-N 2 0 323.893 3.989 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422943144 1027370405 /nfs/dbraw/zinc/37/04/05/1027370405.db2.gz KFDSVMQXAUDSBZ-OAGGEKHMSA-N 2 0 322.518 3.544 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422948253 1027374970 /nfs/dbraw/zinc/37/49/70/1027374970.db2.gz QZTYDJSKGVYVAE-UONOGXRCSA-N 2 0 301.261 3.786 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170684038 1027379153 /nfs/dbraw/zinc/37/91/53/1027379153.db2.gz CAMZRXBJQQEMDC-RHSMWYFYSA-N 2 0 322.443 3.663 20 0 DHADRP Cc1cccc(COc2ccc([C@H](C)[NH2+]C3CC[NH2+]CC3)cc2)c1 ZINC000422951848 1027380064 /nfs/dbraw/zinc/38/00/64/1027380064.db2.gz AJUAPNYWWBMBIM-KRWDZBQOSA-N 2 0 324.468 3.977 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nc(-c2ccccc2)cs1 ZINC000422959286 1027380497 /nfs/dbraw/zinc/38/04/97/1027380497.db2.gz RJFPWFOTCHGUKB-UONOGXRCSA-N 2 0 303.475 3.978 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000422993582 1027383547 /nfs/dbraw/zinc/38/35/47/1027383547.db2.gz RPCIQLQWRRPLLR-RTBURBONSA-N 2 0 310.416 3.883 20 0 DHADRP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000422994964 1027383673 /nfs/dbraw/zinc/38/36/73/1027383673.db2.gz JAGLXBYZMBHJNB-SESVDKBCSA-N 2 0 321.468 3.759 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423015686 1027390766 /nfs/dbraw/zinc/39/07/66/1027390766.db2.gz AMTKLYWOWKZAOE-KBXCAEBGSA-N 2 0 317.864 3.736 20 0 DHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423011737 1027390872 /nfs/dbraw/zinc/39/08/72/1027390872.db2.gz BLBGJFISCBXFQQ-TUCQFJRYSA-N 2 0 314.404 3.636 20 0 DHADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423013893 1027391335 /nfs/dbraw/zinc/39/13/35/1027391335.db2.gz NSRHMHUMCMHNHH-VHKYSDTDSA-N 2 0 310.441 3.608 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423015835 1027391406 /nfs/dbraw/zinc/39/14/06/1027391406.db2.gz LJPLWZRJZYCLLZ-LLVKDONJSA-N 2 0 321.317 3.944 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000423046590 1027393718 /nfs/dbraw/zinc/39/37/18/1027393718.db2.gz UCPAMQGEPURTAQ-WAPOTWQKSA-N 2 0 322.537 3.871 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423034448 1027396676 /nfs/dbraw/zinc/39/66/76/1027396676.db2.gz QCQJJJODQMVQAY-CRAIPNDOSA-N 2 0 307.441 3.512 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423041027 1027400628 /nfs/dbraw/zinc/40/06/28/1027400628.db2.gz IIVDXLXGVJYLGN-YRXWBPOGSA-N 2 0 321.553 3.540 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423054938 1027400685 /nfs/dbraw/zinc/40/06/85/1027400685.db2.gz VRECQOWHINVFKI-DOMZBBRYSA-N 2 0 312.860 3.734 20 0 DHADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423056496 1027403469 /nfs/dbraw/zinc/40/34/69/1027403469.db2.gz GATAENZVZRZQFB-UQVNRYHBSA-N 2 0 312.501 3.908 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423066814 1027404503 /nfs/dbraw/zinc/40/45/03/1027404503.db2.gz YBFQXDQGFPQUCU-CVEARBPZSA-N 2 0 310.844 3.760 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423054493 1027407408 /nfs/dbraw/zinc/40/74/08/1027407408.db2.gz URDUGWSLILWSKG-OALUTQOASA-N 2 0 316.489 3.623 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000423076872 1027410713 /nfs/dbraw/zinc/41/07/13/1027410713.db2.gz SADBJPKKFHJHJD-ICBNADEASA-N 2 0 322.537 3.586 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423079522 1027411985 /nfs/dbraw/zinc/41/19/85/1027411985.db2.gz AMFLRHWXXSAGQC-KBPBESRZSA-N 2 0 313.272 3.885 20 0 DHADRP c1cnc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000423084791 1027412008 /nfs/dbraw/zinc/41/20/08/1027412008.db2.gz IXZMWMJLAJIIRG-DFQSSKMNSA-N 2 0 309.457 3.635 20 0 DHADRP COCCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423099236 1027414321 /nfs/dbraw/zinc/41/43/21/1027414321.db2.gz FFSZIEOLXHWVFK-IJEWVQPXSA-N 2 0 312.885 3.566 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423075831 1027418441 /nfs/dbraw/zinc/41/84/41/1027418441.db2.gz PLSYPQRHCNTKNM-OKDNKWQNSA-N 2 0 322.880 3.618 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423124214 1027421834 /nfs/dbraw/zinc/42/18/34/1027421834.db2.gz MGKSXSXWZJILAM-LKFCYVNXSA-N 2 0 322.321 3.591 20 0 DHADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423129584 1027422399 /nfs/dbraw/zinc/42/23/99/1027422399.db2.gz FMRMWQRVDVOQJJ-MDYRTPRTSA-N 2 0 314.473 3.658 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423148331 1027431309 /nfs/dbraw/zinc/43/13/09/1027431309.db2.gz VDJXGYFMBBAXDE-DJJJIMSYSA-N 2 0 313.420 3.716 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)C2)c1 ZINC000423153227 1027431466 /nfs/dbraw/zinc/43/14/66/1027431466.db2.gz GZJVRADNTWQWOM-PBGAUENZSA-N 2 0 308.425 3.676 20 0 DHADRP Fc1cccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1F ZINC000423154044 1027431510 /nfs/dbraw/zinc/43/15/10/1027431510.db2.gz INYKDLIYQXCQMT-SJPCQFCGSA-N 2 0 320.427 3.502 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423149837 1027432173 /nfs/dbraw/zinc/43/21/73/1027432173.db2.gz XXVSNPJWYPOTTA-RHSMWYFYSA-N 2 0 309.457 3.619 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423137208 1027434102 /nfs/dbraw/zinc/43/41/02/1027434102.db2.gz ZXKYWRHDOPTRCU-SECBINFHSA-N 2 0 310.310 3.591 20 0 DHADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423134185 1027434922 /nfs/dbraw/zinc/43/49/22/1027434922.db2.gz DLYRZKOGSIKKLG-NXHRZFHOSA-N 2 0 306.881 3.701 20 0 DHADRP C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423135900 1027435411 /nfs/dbraw/zinc/43/54/11/1027435411.db2.gz ONSBMJQXBJIBIF-IMJJTQAJSA-N 2 0 314.395 3.843 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(Br)c1Cl ZINC000423172855 1027437005 /nfs/dbraw/zinc/43/70/05/1027437005.db2.gz VQYSKRYOCJDLCS-SNVBAGLBSA-N 2 0 319.674 3.710 20 0 DHADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423179179 1027441306 /nfs/dbraw/zinc/44/13/06/1027441306.db2.gz HIDGIUHZRNTFSZ-KRWDZBQOSA-N 2 0 324.468 3.977 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000423208752 1027445513 /nfs/dbraw/zinc/44/55/13/1027445513.db2.gz DQENLLOHPVMXIG-RZQQEMMASA-N 2 0 309.457 3.787 20 0 DHADRP Fc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423207089 1027445615 /nfs/dbraw/zinc/44/56/15/1027445615.db2.gz GOWJQIWPTOLWNO-OXQOHEQNSA-N 2 0 312.432 3.699 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423208737 1027446761 /nfs/dbraw/zinc/44/67/61/1027446761.db2.gz DOENYMDHBRBUHE-BFYDXBDKSA-N 2 0 304.503 3.818 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423212431 1027449718 /nfs/dbraw/zinc/44/97/18/1027449718.db2.gz LVXONLKTKFJZJL-QGPMSJSTSA-N 2 0 306.881 3.955 20 0 DHADRP COCCC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(F)cc1 ZINC000423201443 1027451633 /nfs/dbraw/zinc/45/16/33/1027451633.db2.gz ORPLSKWMWSYNPZ-GOSISDBHSA-N 2 0 322.468 3.935 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423196133 1027451694 /nfs/dbraw/zinc/45/16/94/1027451694.db2.gz ZAEYMTXBDNWXDX-HYJFEMIMSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423197786 1027453218 /nfs/dbraw/zinc/45/32/18/1027453218.db2.gz BEASUQMKOGKDPP-INIZCTEOSA-N 2 0 312.461 3.575 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423202262 1027455354 /nfs/dbraw/zinc/45/53/54/1027455354.db2.gz QMMBCFKSSXUVEI-LSDHHAIUSA-N 2 0 300.368 3.541 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423214333 1027460125 /nfs/dbraw/zinc/46/01/25/1027460125.db2.gz OQFFBVJTOORMST-ZIAGYGMSSA-N 2 0 310.869 3.777 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423221241 1027462717 /nfs/dbraw/zinc/46/27/17/1027462717.db2.gz ZLZPPWRPMRJKOE-YWZLYKJASA-N 2 0 312.457 3.889 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423223865 1027466335 /nfs/dbraw/zinc/46/63/35/1027466335.db2.gz HNLMVVHDBSWWHZ-LNSITVRQSA-N 2 0 300.368 3.668 20 0 DHADRP c1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C2CC2)nc1 ZINC000932379854 1027470129 /nfs/dbraw/zinc/47/01/29/1027470129.db2.gz SPOBWMJFZKEEAB-IBGZPJMESA-N 2 0 301.478 3.779 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423246835 1027474744 /nfs/dbraw/zinc/47/47/44/1027474744.db2.gz KIDXWPYSHWYBDL-ROUUACIJSA-N 2 0 324.468 3.916 20 0 DHADRP COc1ccc2c(c1)[C@H](N[C@H](C[NH3+])C1CCCCC1)CCS2 ZINC000423260704 1027477467 /nfs/dbraw/zinc/47/74/67/1027477467.db2.gz IDVQCSIJABEZCJ-IAGOWNOFSA-N 2 0 320.502 3.729 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423285003 1027483312 /nfs/dbraw/zinc/48/33/12/1027483312.db2.gz ZEWCPGZJWOYXEI-KGLIPLIRSA-N 2 0 317.502 3.933 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423285000 1027483724 /nfs/dbraw/zinc/48/37/24/1027483724.db2.gz ZEWCPGZJWOYXEI-KBPBESRZSA-N 2 0 317.502 3.933 20 0 DHADRP Cc1c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cnn1C(C)(C)C ZINC000423291921 1027485604 /nfs/dbraw/zinc/48/56/04/1027485604.db2.gz KOMXEMSRORBBNI-KGLIPLIRSA-N 2 0 314.477 3.817 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(F)cn1 ZINC000423292228 1027486268 /nfs/dbraw/zinc/48/62/68/1027486268.db2.gz MAGKUMOXFNZOAH-FZKQIMNGSA-N 2 0 301.409 3.727 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000423293408 1027486470 /nfs/dbraw/zinc/48/64/70/1027486470.db2.gz RHBJUOLPQSWKQR-PIGZYNQJSA-N 2 0 302.368 3.762 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)c1 ZINC000423345845 1027508539 /nfs/dbraw/zinc/50/85/39/1027508539.db2.gz GGMZQGMUWSLHOT-AEFFLSMTSA-N 2 0 304.865 3.876 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423327719 1027509416 /nfs/dbraw/zinc/50/94/16/1027509416.db2.gz LSDNMFPXCAGLCS-CQSZACIVSA-N 2 0 315.486 3.850 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)s1 ZINC000423332048 1027510684 /nfs/dbraw/zinc/51/06/84/1027510684.db2.gz OTWZRSZPLBJZLW-GXFFZTMASA-N 2 0 317.296 3.551 20 0 DHADRP [NH3+][C@H](C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000423326197 1027511630 /nfs/dbraw/zinc/51/16/30/1027511630.db2.gz QTJHVGARVWHFND-CWRNSKLLSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423325420 1027511855 /nfs/dbraw/zinc/51/18/55/1027511855.db2.gz JSEXZCXAMPRFOX-DEYYWGMASA-N 2 0 317.502 3.768 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCC[NH3+] ZINC000423337545 1027513745 /nfs/dbraw/zinc/51/37/45/1027513745.db2.gz RCGXRMRJMRJGNC-NSHDSACASA-N 2 0 307.438 3.647 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OCC ZINC000423355275 1027519483 /nfs/dbraw/zinc/51/94/83/1027519483.db2.gz FDFUJCNTOPUOPA-SJORKVTESA-N 2 0 320.477 3.667 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423368982 1027523093 /nfs/dbraw/zinc/52/30/93/1027523093.db2.gz DPJVTVMTTFBPJW-YLJYHZDGSA-N 2 0 321.468 3.809 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(OC(F)F)c1 ZINC000423367953 1027524410 /nfs/dbraw/zinc/52/44/10/1027524410.db2.gz ZFUGAXQSPUHXDS-LBPRGKRZSA-N 2 0 318.367 3.742 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC[NH2+]1 ZINC000423393972 1027534442 /nfs/dbraw/zinc/53/44/42/1027534442.db2.gz ZCDAUXSTJNYFFN-DJSGYFEHSA-N 2 0 323.278 3.557 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423401185 1027534696 /nfs/dbraw/zinc/53/46/96/1027534696.db2.gz VWADOHLNCFZQRH-CYZMBNFOSA-N 2 0 302.340 3.506 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423396743 1027535141 /nfs/dbraw/zinc/53/51/41/1027535141.db2.gz SKZCLMAWNXAMCN-OAQYLSRUSA-N 2 0 324.468 3.621 20 0 DHADRP COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000423424539 1027536702 /nfs/dbraw/zinc/53/67/02/1027536702.db2.gz FUTZBSSOQZUWPF-NWDGAFQWSA-N 2 0 314.857 3.525 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423424782 1027536990 /nfs/dbraw/zinc/53/69/90/1027536990.db2.gz DAIHMJJNIYUWJM-VBNZEHGJSA-N 2 0 324.415 3.635 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423404192 1027537385 /nfs/dbraw/zinc/53/73/85/1027537385.db2.gz ZAISQAQYLRULDF-BPLDGKMQSA-N 2 0 312.910 3.941 20 0 DHADRP Cc1cc([C@@H]([NH2+][C@@H](C)CCCC[NH3+])c2cccnc2)ccc1F ZINC000423419095 1027537828 /nfs/dbraw/zinc/53/78/28/1027537828.db2.gz AJTZFHIWSLDTEC-HNAYVOBHSA-N 2 0 315.436 3.726 20 0 DHADRP COc1cc(OC)c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000423424532 1027538168 /nfs/dbraw/zinc/53/81/68/1027538168.db2.gz FUTZBSSOQZUWPF-NEPJUHHUSA-N 2 0 314.857 3.525 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423422722 1027538643 /nfs/dbraw/zinc/53/86/43/1027538643.db2.gz DIQXWIWXVJNOOU-XHDPSFHLSA-N 2 0 316.367 3.680 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCCC[NH3+])CCCS2 ZINC000423420609 1027538686 /nfs/dbraw/zinc/53/86/86/1027538686.db2.gz BPVFXHSNKMDPLL-CJNGLKHVSA-N 2 0 308.491 3.729 20 0 DHADRP COCC1(C[NH2+][C@@H](c2cccs2)C2CCCC2)CC[NH2+]CC1 ZINC000423413187 1027540676 /nfs/dbraw/zinc/54/06/76/1027540676.db2.gz YMKRQQJHYGUAIY-QGZVFWFLSA-N 2 0 322.518 3.585 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OC(F)F)cc1 ZINC000423427999 1027546052 /nfs/dbraw/zinc/54/60/52/1027546052.db2.gz RBCHTGVKXOHWLO-MGPQQGTHSA-N 2 0 312.404 3.704 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423453578 1027546624 /nfs/dbraw/zinc/54/66/24/1027546624.db2.gz ARXQVZUVVYCCRS-OUCADQQQSA-N 2 0 316.367 3.753 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423428761 1027547433 /nfs/dbraw/zinc/54/74/33/1027547433.db2.gz GTIDKGPKKYDACY-IPMKNSEASA-N 2 0 318.530 3.781 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436132 1027550209 /nfs/dbraw/zinc/55/02/09/1027550209.db2.gz ZLJCHEBXEVTGHX-MGPQQGTHSA-N 2 0 310.869 3.764 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423430025 1027550334 /nfs/dbraw/zinc/55/03/34/1027550334.db2.gz HQAKWOPHUVFDFN-GQWLDOHISA-N 2 0 321.468 3.787 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423482586 1027555093 /nfs/dbraw/zinc/55/50/93/1027555093.db2.gz YELUDBVFHAGIFY-DZKIICNBSA-N 2 0 315.486 3.978 20 0 DHADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423469992 1027558087 /nfs/dbraw/zinc/55/80/87/1027558087.db2.gz ZCPCIMPYXQDKQY-KBPBESRZSA-N 2 0 317.502 3.820 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000423468706 1027558776 /nfs/dbraw/zinc/55/87/76/1027558776.db2.gz URKMJUNTIBNSKR-SLEUVZQESA-N 2 0 300.368 3.874 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423469730 1027559137 /nfs/dbraw/zinc/55/91/37/1027559137.db2.gz KKOTZRZXNRKAJX-GRDNDAEWSA-N 2 0 322.880 3.969 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000423472088 1027559303 /nfs/dbraw/zinc/55/93/03/1027559303.db2.gz XGTXVYLZZHANCD-UXIGCNINSA-N 2 0 310.894 3.984 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423478655 1027561626 /nfs/dbraw/zinc/56/16/26/1027561626.db2.gz UIEABHDSVXKUTM-UNEWFSDZSA-N 2 0 322.880 3.969 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccccc2)cc1 ZINC000423502811 1027563176 /nfs/dbraw/zinc/56/31/76/1027563176.db2.gz KFKQDDYNDMCBFR-MOXGXCLJSA-N 2 0 310.441 3.502 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000423497134 1027563260 /nfs/dbraw/zinc/56/32/60/1027563260.db2.gz GCOLDBYXPJEBED-BBRMVZONSA-N 2 0 303.475 3.891 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423486991 1027570066 /nfs/dbraw/zinc/57/00/66/1027570066.db2.gz TYHVOHMCUVOCOZ-SQNIBIBYSA-N 2 0 301.478 3.538 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423487969 1027572052 /nfs/dbraw/zinc/57/20/52/1027572052.db2.gz VBKONSAJQGUHTF-JSGCOSHPSA-N 2 0 309.523 3.932 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000423495176 1027574480 /nfs/dbraw/zinc/57/44/80/1027574480.db2.gz FAGPRWBIHFSZMZ-RLCCDNCMSA-N 2 0 312.379 3.874 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccccc2)c1 ZINC000423493412 1027575319 /nfs/dbraw/zinc/57/53/19/1027575319.db2.gz PZFJWQBHFGVHQU-LMNJBCLMSA-N 2 0 324.468 3.696 20 0 DHADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423556143 1027580302 /nfs/dbraw/zinc/58/03/02/1027580302.db2.gz MNEULFNAQLBCFW-INIZCTEOSA-N 2 0 310.388 3.639 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000423519497 1027580534 /nfs/dbraw/zinc/58/05/34/1027580534.db2.gz PUXWJFZAGLSDRK-WOJBJXKFSA-N 2 0 310.441 3.839 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc2)c1 ZINC000423521606 1027581599 /nfs/dbraw/zinc/58/15/99/1027581599.db2.gz GHCSPOXPOFYFIG-OAQYLSRUSA-N 2 0 324.468 3.711 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423543309 1027582911 /nfs/dbraw/zinc/58/29/11/1027582911.db2.gz UXIUXJJGOXCUMW-UHFFFAOYSA-N 3 0 321.553 3.565 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423537341 1027583341 /nfs/dbraw/zinc/58/33/41/1027583341.db2.gz JXALACGHTGVORA-KBPBESRZSA-N 2 0 315.486 3.688 20 0 DHADRP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539198 1027583458 /nfs/dbraw/zinc/58/34/58/1027583458.db2.gz HVWLBDINHIRPIR-YHUYYLMFSA-N 2 0 304.503 3.837 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539382 1027583957 /nfs/dbraw/zinc/58/39/57/1027583957.db2.gz IESPZPUSDOUQEV-HRCADAONSA-N 2 0 304.437 3.734 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423543071 1027583991 /nfs/dbraw/zinc/58/39/91/1027583991.db2.gz MTWBRQWBGWRMGZ-CXUGXGMPSA-N 2 0 320.864 3.531 20 0 DHADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423549705 1027586938 /nfs/dbraw/zinc/58/69/38/1027586938.db2.gz IBAMTWBYNIFJFW-INIZCTEOSA-N 2 0 323.278 3.800 20 0 DHADRP CCSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423552460 1027587095 /nfs/dbraw/zinc/58/70/95/1027587095.db2.gz UYZXMBYJQPOVOS-QSPRXWTASA-N 2 0 304.503 3.837 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000576279812 1027595577 /nfs/dbraw/zinc/59/55/77/1027595577.db2.gz HKZOSEIDHMGMMT-CQSZACIVSA-N 2 0 300.471 3.588 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2cccs2)cc1 ZINC000576544430 1027630790 /nfs/dbraw/zinc/63/07/90/1027630790.db2.gz AVSUYTSTABUIIM-OAHLLOKOSA-N 2 0 318.486 3.644 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000577073344 1027700480 /nfs/dbraw/zinc/70/04/80/1027700480.db2.gz OOPVFNASLCGYRN-CHWSQXEVSA-N 2 0 304.434 3.866 20 0 DHADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000577107339 1027708306 /nfs/dbraw/zinc/70/83/06/1027708306.db2.gz KTWSVSPABPWHEO-GOSISDBHSA-N 2 0 320.546 3.733 20 0 DHADRP C[C@@H]1C[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094501 1027756358 /nfs/dbraw/zinc/75/63/58/1027756358.db2.gz UXKLGBXVQQCXKX-NXWXRZEISA-N 2 0 308.510 3.706 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)ccn1 ZINC000527638544 1027799015 /nfs/dbraw/zinc/79/90/15/1027799015.db2.gz KPUNBLJZUCKMTB-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527692064 1027830217 /nfs/dbraw/zinc/83/02/17/1027830217.db2.gz PJEYNIDQHOHNNJ-MAUKXSAKSA-N 2 0 311.473 3.911 20 0 DHADRP Cc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000527792494 1027886399 /nfs/dbraw/zinc/88/63/99/1027886399.db2.gz AAFOWTXZOUXODI-HXUWFJFHSA-N 2 0 321.468 3.677 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000527806865 1027895324 /nfs/dbraw/zinc/89/53/24/1027895324.db2.gz FXPNOXHJDLRLQL-UMVBOHGHSA-N 2 0 304.400 3.714 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CC12CC2 ZINC000527853184 1027919208 /nfs/dbraw/zinc/91/92/08/1027919208.db2.gz FEPRYHRDKABXPJ-YQQAZPJKSA-N 2 0 304.503 3.738 20 0 DHADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000577759186 1027922000 /nfs/dbraw/zinc/92/20/00/1027922000.db2.gz OEILRJGTUHXSBL-QZTJIDSGSA-N 2 0 306.519 3.984 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OCC ZINC000527931702 1027989769 /nfs/dbraw/zinc/98/97/69/1027989769.db2.gz NCLSJVWWEQDCSV-YTQUADARSA-N 2 0 310.526 3.824 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccn2)cc1 ZINC000578083207 1028042481 /nfs/dbraw/zinc/04/24/81/1028042481.db2.gz OXDUWZDZUFCIBL-GGPKGHCWSA-N 2 0 309.457 3.533 20 0 DHADRP C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578109293 1028054056 /nfs/dbraw/zinc/05/40/56/1028054056.db2.gz DSBWKDFISCUPMP-JXFKEZNVSA-N 2 0 312.501 3.644 20 0 DHADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@H]4C[C@@H]5[C@H](C4)C5(C)C)C[C@H]3C2)cc1 ZINC001170752423 1028105042 /nfs/dbraw/zinc/10/50/42/1028105042.db2.gz IVAJLQXVSNLVHV-SSSFQFABSA-N 2 0 324.512 3.793 20 0 DHADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CCCC[NH+]3CCCC3)C2)c1 ZINC000367058280 1028130882 /nfs/dbraw/zinc/13/08/82/1028130882.db2.gz RRTYRPOKBHRMAT-PKOBYXMFSA-N 2 0 301.478 3.573 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000367063914 1028130945 /nfs/dbraw/zinc/13/09/45/1028130945.db2.gz APFQPSOMZRLKGQ-QGPMSJSTSA-N 2 0 324.896 3.736 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000367087669 1028135603 /nfs/dbraw/zinc/13/56/03/1028135603.db2.gz YSCRWKCFTVFNKG-OAHAVBBTSA-N 2 0 322.537 3.824 20 0 DHADRP C[N@H+](Cc1ccc(Cl)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367111002 1028141521 /nfs/dbraw/zinc/14/15/21/1028141521.db2.gz QJYQQSIDQARFBA-UHFFFAOYSA-N 2 0 315.848 3.836 20 0 DHADRP CSC1(C[NH2+]Cc2cccc3ccccc32)CC[NH+](C)CC1 ZINC000578472612 1028161920 /nfs/dbraw/zinc/16/19/20/1028161920.db2.gz HGIHFVXYVFEWDZ-UHFFFAOYSA-N 2 0 314.498 3.757 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578508092 1028169648 /nfs/dbraw/zinc/16/96/48/1028169648.db2.gz SGLBKMYXJZDNGO-ZDUSSCGKSA-N 2 0 304.384 3.534 20 0 DHADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000578506334 1028169973 /nfs/dbraw/zinc/16/99/73/1028169973.db2.gz CWPLZEDHNMLWSB-AWEZNQCLSA-N 2 0 315.288 3.857 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000563730891 1028181048 /nfs/dbraw/zinc/18/10/48/1028181048.db2.gz KCSUBPIEMZAUMA-UONOGXRCSA-N 2 0 308.416 3.636 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCF)[C@@H]1c1ccccc1 ZINC000367760528 1028235189 /nfs/dbraw/zinc/23/51/89/1028235189.db2.gz ZMKDODXOTQUJJK-OWYHZJEWSA-N 2 0 304.453 3.797 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)c2cc(F)cc(F)c2)C[C@H]1C ZINC000449031146 1028270507 /nfs/dbraw/zinc/27/05/07/1028270507.db2.gz UMNZYPJTWOGBHQ-IYOUNJFTSA-N 2 0 310.432 3.873 20 0 DHADRP COc1cccc2c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cccc12 ZINC000449044364 1028306534 /nfs/dbraw/zinc/30/65/34/1028306534.db2.gz DIZQBJPHACDUNV-PXNSSMCTSA-N 2 0 324.468 3.765 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000579058294 1028311065 /nfs/dbraw/zinc/31/10/65/1028311065.db2.gz ZRHAKMKKXSGXAO-QZTJIDSGSA-N 2 0 300.490 3.818 20 0 DHADRP c1cc2cccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2o1 ZINC000449047667 1028310978 /nfs/dbraw/zinc/31/09/78/1028310978.db2.gz OCEWCIKLWGHZFY-LPHOPBHVSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449082400 1028347524 /nfs/dbraw/zinc/34/75/24/1028347524.db2.gz NBFSCQLTLHLORO-KRWDZBQOSA-N 2 0 318.509 3.600 20 0 DHADRP C1CC([NH+]2CCC([NH2+]C3CCC(OC4CCCC4)CC3)CC2)C1 ZINC000449095972 1028347811 /nfs/dbraw/zinc/34/78/11/1028347811.db2.gz DAEAMKWGLFBBTD-UHFFFAOYSA-N 2 0 320.521 3.863 20 0 DHADRP C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2(C1)CCOCC2 ZINC000368524483 1028364762 /nfs/dbraw/zinc/36/47/62/1028364762.db2.gz BDKOEWJNEWFRKH-LJQANCHMSA-N 2 0 320.521 3.722 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc3ccoc32)cc1 ZINC000449090818 1028365315 /nfs/dbraw/zinc/36/53/15/1028365315.db2.gz OPEZLNAPBBEGFC-UHFFFAOYSA-N 2 0 324.424 3.663 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449094927 1028368912 /nfs/dbraw/zinc/36/89/12/1028368912.db2.gz VAXDROZMVRCBMJ-MUYFXNHWSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000449134262 1028390274 /nfs/dbraw/zinc/39/02/74/1028390274.db2.gz HWASJQCYZHREPY-INIZCTEOSA-N 2 0 323.569 3.738 20 0 DHADRP CC[C@H](C)[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449139993 1028394133 /nfs/dbraw/zinc/39/41/33/1028394133.db2.gz BPFJVUWCNSERGG-DOTOQJQBSA-N 2 0 312.542 3.662 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000449172771 1028415591 /nfs/dbraw/zinc/41/55/91/1028415591.db2.gz DIYRPTJMQCMIBH-QGZVFWFLSA-N 2 0 300.490 3.862 20 0 DHADRP COCC1CCC([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000449179514 1028432216 /nfs/dbraw/zinc/43/22/16/1028432216.db2.gz WAZOMADHXVOSCS-UHFFFAOYSA-N 2 0 310.526 3.539 20 0 DHADRP CCC[C@@H](Cc1ccccc1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000564433333 1028443087 /nfs/dbraw/zinc/44/30/87/1028443087.db2.gz CFAVDAOEDKRILT-SFHVURJKSA-N 2 0 320.546 3.815 20 0 DHADRP c1cncc([C@H]2CCC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000369112484 1028446163 /nfs/dbraw/zinc/44/61/63/1028446163.db2.gz LYWSLUYYSYEAOK-PXNSSMCTSA-N 2 0 313.489 3.572 20 0 DHADRP CSCC1CCC([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000449211529 1028446530 /nfs/dbraw/zinc/44/65/30/1028446530.db2.gz YFHRXOUDHZGUCZ-UHFFFAOYSA-N 2 0 324.509 3.899 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449217212 1028460642 /nfs/dbraw/zinc/46/06/42/1028460642.db2.gz XRCIHZQNULRTAY-WBVHZDCISA-N 2 0 310.526 3.823 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449220433 1028460750 /nfs/dbraw/zinc/46/07/50/1028460750.db2.gz QEXHIRBKBTYTBB-MRXNPFEDSA-N 2 0 306.498 3.598 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000579662685 1028462381 /nfs/dbraw/zinc/46/23/81/1028462381.db2.gz WCFKSMYQTVFTJU-GOSISDBHSA-N 2 0 302.462 3.530 20 0 DHADRP [NH3+]CCCCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000188136707 1028495450 /nfs/dbraw/zinc/49/54/50/1028495450.db2.gz LHSYHYKOHZYHLP-UHFFFAOYSA-N 2 0 317.477 3.520 20 0 DHADRP COc1cc2ccccc2cc1C[N@H+](C)CCCn1ccnc1C ZINC000449326348 1028533927 /nfs/dbraw/zinc/53/39/27/1028533927.db2.gz UWIOTBOSGSPFHB-UHFFFAOYSA-N 2 0 323.440 3.875 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000449338318 1028574554 /nfs/dbraw/zinc/57/45/54/1028574554.db2.gz VEYYACCVFKQAPD-HNNXBMFYSA-N 2 0 322.443 3.717 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000449354204 1028587313 /nfs/dbraw/zinc/58/73/13/1028587313.db2.gz LACNLBWFHCGJEN-XLIONFOSSA-N 2 0 322.537 3.826 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449353955 1028587511 /nfs/dbraw/zinc/58/75/11/1028587511.db2.gz IQLHBMJCFPKRRZ-KZNAEPCWSA-N 2 0 322.443 3.922 20 0 DHADRP FC(F)(F)CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000370951343 1028655606 /nfs/dbraw/zinc/65/56/06/1028655606.db2.gz WPKMOTBYDVBLDS-UKRRQHHQSA-N 2 0 304.400 3.668 20 0 DHADRP FC(F)(F)CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000370951342 1028656744 /nfs/dbraw/zinc/65/67/44/1028656744.db2.gz WPKMOTBYDVBLDS-DZGCQCFKSA-N 2 0 304.400 3.668 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000371109054 1028671299 /nfs/dbraw/zinc/67/12/99/1028671299.db2.gz UKRFJDALTKKVIF-UXHICEINSA-N 2 0 316.489 3.542 20 0 DHADRP [NH3+]C[C@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000566226152 1028692047 /nfs/dbraw/zinc/69/20/47/1028692047.db2.gz HYCCRHDUVNALLK-OAHLLOKOSA-N 2 0 314.395 3.699 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000371397117 1028701700 /nfs/dbraw/zinc/70/17/00/1028701700.db2.gz MRVANSMVHBSLQT-RNQOJCNYSA-N 2 0 322.537 3.823 20 0 DHADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000566986511 1028816023 /nfs/dbraw/zinc/81/60/23/1028816023.db2.gz GECJQLSTVXAUCK-FJIDUMEYSA-N 2 0 316.514 3.666 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000372971799 1028927979 /nfs/dbraw/zinc/92/79/79/1028927979.db2.gz ARHHADCHANIKTG-RFQIPJPRSA-N 2 0 312.910 3.825 20 0 DHADRP C[NH+]1CCC(CC[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628214045 1028943566 /nfs/dbraw/zinc/94/35/66/1028943566.db2.gz ISIIXPQFVUIHLP-UHFFFAOYSA-N 2 0 314.395 3.569 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000568249336 1029032489 /nfs/dbraw/zinc/03/24/89/1029032489.db2.gz NRMMCZQIHKBGEW-ZWKOTPCHSA-N 2 0 314.498 3.933 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628425925 1029051095 /nfs/dbraw/zinc/05/10/95/1029051095.db2.gz ZJAFJPVCJSEUBN-HNNXBMFYSA-N 2 0 314.395 3.569 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2CCCc2cncn2C)cc1 ZINC000568410415 1029062529 /nfs/dbraw/zinc/06/25/29/1029062529.db2.gz LVDYDJIZUYINFN-LJQANCHMSA-N 2 0 313.445 3.589 20 0 DHADRP Cc1nc2c(s1)CCC[C@H]2C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000373540693 1029075818 /nfs/dbraw/zinc/07/58/18/1029075818.db2.gz ZQSJKMYJAWOUQA-AWEZNQCLSA-N 2 0 321.534 3.724 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000817416232 1029155093 /nfs/dbraw/zinc/15/50/93/1029155093.db2.gz TWNNIRZNMLOSOO-UHFFFAOYSA-N 2 0 314.445 3.964 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCCO1 ZINC000411670326 1029181320 /nfs/dbraw/zinc/18/13/20/1029181320.db2.gz GIGNUWATHRKYOG-HXUWFJFHSA-N 2 0 316.489 3.673 20 0 DHADRP CC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCCO1 ZINC000411670325 1029182075 /nfs/dbraw/zinc/18/20/75/1029182075.db2.gz GIGNUWATHRKYOG-FQEVSTJZSA-N 2 0 316.489 3.673 20 0 DHADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569223183 1029196037 /nfs/dbraw/zinc/19/60/37/1029196037.db2.gz SXLKRESSEYVHMV-OAHLLOKOSA-N 2 0 322.880 3.560 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000569768686 1029259848 /nfs/dbraw/zinc/25/98/48/1029259848.db2.gz AIRIBLQEULKQFR-ZPCZRFHTSA-N 2 0 324.512 3.957 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCCCCCC1 ZINC000817894004 1029269981 /nfs/dbraw/zinc/26/99/81/1029269981.db2.gz WGKDAQORDNXDPJ-UYAOXDASSA-N 2 0 314.473 3.945 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900118 1029274007 /nfs/dbraw/zinc/27/40/07/1029274007.db2.gz LPYLKIDLXDFSMU-LHQJTOJGSA-N 3 0 321.553 3.684 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000817919977 1029275215 /nfs/dbraw/zinc/27/52/15/1029275215.db2.gz XVAANDNFTMFHFM-HFAKWTLXSA-N 2 0 319.276 3.522 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000817922524 1029275442 /nfs/dbraw/zinc/27/54/42/1029275442.db2.gz XPNGFHMGHJTXFL-LJIGWXMPSA-N 2 0 319.518 3.729 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(C)ccc1OC ZINC000817947652 1029287677 /nfs/dbraw/zinc/28/76/77/1029287677.db2.gz DWKQBOTXUAQEGD-IBGZPJMESA-N 2 0 312.457 3.746 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000817949182 1029291264 /nfs/dbraw/zinc/29/12/64/1029291264.db2.gz NGSIEFLUGHGBHF-GOSISDBHSA-N 2 0 300.833 3.618 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2ccsc2S1 ZINC000817948471 1029291980 /nfs/dbraw/zinc/29/19/80/1029291980.db2.gz KMULPFGOVVNLEK-BLLLJJGKSA-N 2 0 318.511 3.965 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817954372 1029295097 /nfs/dbraw/zinc/29/50/97/1029295097.db2.gz CDWJWKNRDGEUSN-VXGBXAGGSA-N 2 0 300.418 3.652 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817953525 1029295394 /nfs/dbraw/zinc/29/53/94/1029295394.db2.gz NCETZTKWOJUOPR-JTQLQIEISA-N 2 0 304.265 3.614 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817966768 1029304041 /nfs/dbraw/zinc/30/40/41/1029304041.db2.gz VFXOMFOMASFIMP-ZUZCIYMTSA-N 2 0 316.276 3.616 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000817931461 1029305210 /nfs/dbraw/zinc/30/52/10/1029305210.db2.gz KEMRDIHXZWYWSN-APDVGNCJSA-N 2 0 324.468 3.568 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1C ZINC000817969504 1029308659 /nfs/dbraw/zinc/30/86/59/1029308659.db2.gz VJZZKRRIGXJFIJ-OAHLLOKOSA-N 2 0 310.441 3.766 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000817978490 1029317796 /nfs/dbraw/zinc/31/77/96/1029317796.db2.gz BTBJCVBKPZTKBB-QQBUNOSOSA-N 2 0 302.437 3.567 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)CCO2 ZINC000817982670 1029319702 /nfs/dbraw/zinc/31/97/02/1029319702.db2.gz VIJPVUPWLMJRBF-BEFAXECRSA-N 2 0 310.441 3.752 20 0 DHADRP C[C@H]([NH2+]CC/C=C/c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000629514133 1029352531 /nfs/dbraw/zinc/35/25/31/1029352531.db2.gz KYIDREBZYFTDAV-LAMPOTCGSA-N 2 0 323.278 3.583 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629525712 1029357505 /nfs/dbraw/zinc/35/75/05/1029357505.db2.gz ZTERIJXURVAEMY-MRXNPFEDSA-N 2 0 310.869 3.525 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000629531276 1029358570 /nfs/dbraw/zinc/35/85/70/1029358570.db2.gz GKJZTSBEJVSZCC-WKWVNEEDSA-N 2 0 322.537 3.871 20 0 DHADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccccc2F)s1 ZINC000629536301 1029361212 /nfs/dbraw/zinc/36/12/12/1029361212.db2.gz GLRBMXNEZOXRQD-ZDUSSCGKSA-N 2 0 322.449 3.570 20 0 DHADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000629541974 1029363989 /nfs/dbraw/zinc/36/39/89/1029363989.db2.gz VPEJMDKQIFUVKF-OAHLLOKOSA-N 2 0 322.518 3.737 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629553926 1029368808 /nfs/dbraw/zinc/36/88/08/1029368808.db2.gz DTBINKJOQRQWSJ-CABCVRRESA-N 2 0 300.368 3.541 20 0 DHADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560124 1029369111 /nfs/dbraw/zinc/36/91/11/1029369111.db2.gz CXGARVLERKGAEL-MGPQQGTHSA-N 2 0 306.416 3.662 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCC([NH+]4CCCCC4)CC3)C[C@H]2C1 ZINC000818332144 1029369469 /nfs/dbraw/zinc/36/94/69/1029369469.db2.gz KTPNWZCKBBEOMB-SCKIUVBQSA-N 2 0 320.521 3.577 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629565883 1029371760 /nfs/dbraw/zinc/37/17/60/1029371760.db2.gz XXMCENNNBKAQFR-NVXWUHKLSA-N 2 0 322.374 3.799 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529542622 1029382853 /nfs/dbraw/zinc/38/28/53/1029382853.db2.gz QNWNOGOCWHEQAE-ZOBUZTSGSA-N 2 0 322.443 3.920 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)[C@H](C)C1 ZINC001170913658 1029423314 /nfs/dbraw/zinc/42/33/14/1029423314.db2.gz HKGRJOQGRIBGIZ-SIXWZSSISA-N 2 0 320.908 3.906 20 0 DHADRP Cc1nccn1CCCN(C)Cc1c(F)ccc(F)c1Cl ZINC000529568060 1029427751 /nfs/dbraw/zinc/42/77/51/1029427751.db2.gz PXXWMIZFBFNVEV-UHFFFAOYSA-N 2 0 313.779 3.645 20 0 DHADRP CC[N@H+](CCC1CCN([C@H](C)c2csnn2)CC1)CC(C)C ZINC000450643596 1029586700 /nfs/dbraw/zinc/58/67/00/1029586700.db2.gz BLVGBIKJOGVUGY-OAHLLOKOSA-N 2 0 324.538 3.679 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724328 1029635360 /nfs/dbraw/zinc/63/53/60/1029635360.db2.gz GFKJZAJGVVKAGM-SOUVJXGZSA-N 2 0 300.437 3.664 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820806988 1029769331 /nfs/dbraw/zinc/76/93/31/1029769331.db2.gz WSPZBXGGBHTOOU-CTXDPNEZSA-N 2 0 321.468 3.525 20 0 DHADRP c1ccc(COc2ccc(CN[C@H]3CC[NH2+]C34CCC4)cc2)cc1 ZINC000530179656 1029774289 /nfs/dbraw/zinc/77/42/89/1029774289.db2.gz ZSFSRHBGBRBLIP-FQEVSTJZSA-N 2 0 322.452 3.640 20 0 DHADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820830214 1029777377 /nfs/dbraw/zinc/77/73/77/1029777377.db2.gz PUVOGFGLWNYOLL-KGLIPLIRSA-N 2 0 315.461 3.807 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c2ccccc21 ZINC000530211592 1029783909 /nfs/dbraw/zinc/78/39/09/1029783909.db2.gz MQKNYNUARVBOQR-ZSXDVEMLSA-N 2 0 310.828 3.713 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925233423 1029823018 /nfs/dbraw/zinc/82/30/18/1029823018.db2.gz VPLQFBPRGZAEIW-WOJBJXKFSA-N 2 0 322.537 3.539 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246158064 1029936290 /nfs/dbraw/zinc/93/62/90/1029936290.db2.gz FOCUTSWMFDREER-NSHDSACASA-N 2 0 301.261 3.656 20 0 DHADRP CC(C)(C)c1csc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000865636265 1029954492 /nfs/dbraw/zinc/95/44/92/1029954492.db2.gz UINJLIJVABBYAZ-UHFFFAOYSA-N 2 0 321.534 3.652 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000468382889 1029982831 /nfs/dbraw/zinc/98/28/31/1029982831.db2.gz LFVACQJBQGEVQL-QGZVFWFLSA-N 2 0 300.490 3.923 20 0 DHADRP CC(C)c1cnc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)s1 ZINC000865717091 1029985609 /nfs/dbraw/zinc/98/56/09/1029985609.db2.gz NZWWRIYXJFOWEQ-UHFFFAOYSA-N 2 0 309.523 3.867 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(C)c1O ZINC000290395340 1030031767 /nfs/dbraw/zinc/03/17/67/1030031767.db2.gz OWPSKVVXGNHFSR-SJLPKXTDSA-N 2 0 316.489 3.752 20 0 DHADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000290447234 1030053753 /nfs/dbraw/zinc/05/37/53/1030053753.db2.gz MCWQAICEPCHALY-JXFKEZNVSA-N 2 0 309.457 3.521 20 0 DHADRP ClC1(Cl)C[C@H]1CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000822634494 1030094377 /nfs/dbraw/zinc/09/43/77/1030094377.db2.gz HJEVVXWZRORABE-KGLIPLIRSA-N 2 0 305.293 3.521 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170995987 1030126813 /nfs/dbraw/zinc/12/68/13/1030126813.db2.gz HSGAWRBCYWCBLF-SFHVURJKSA-N 2 0 318.480 3.735 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)c1 ZINC000924607122 1030138208 /nfs/dbraw/zinc/13/82/08/1030138208.db2.gz HNSGNNBWYCRRMX-QGZVFWFLSA-N 2 0 315.848 3.574 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccns1 ZINC000924657745 1030150985 /nfs/dbraw/zinc/15/09/85/1030150985.db2.gz NNGUXGUZILWKSO-CQSZACIVSA-N 2 0 303.475 3.834 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000924651725 1030151526 /nfs/dbraw/zinc/15/15/26/1030151526.db2.gz ZZSRFUAESBUXEX-HZPDHXFCSA-N 2 0 324.468 3.983 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnn(C2CCC2)c1 ZINC000924686054 1030156717 /nfs/dbraw/zinc/15/67/17/1030156717.db2.gz KFGMGTFOBPLIJL-IRXDYDNUSA-N 2 0 318.509 3.771 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924698197 1030162514 /nfs/dbraw/zinc/16/25/14/1030162514.db2.gz XXUHQRBGVGQMLE-CGTJXYLNSA-N 2 0 318.530 3.946 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924698198 1030163930 /nfs/dbraw/zinc/16/39/30/1030163930.db2.gz XXUHQRBGVGQMLE-JQHSSLGASA-N 2 0 318.530 3.946 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000924958830 1030233874 /nfs/dbraw/zinc/23/38/74/1030233874.db2.gz MKYQCEWBVRSAAW-AYHJJNSGSA-N 2 0 304.503 3.655 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924953945 1030233927 /nfs/dbraw/zinc/23/39/27/1030233927.db2.gz GEJBVBMRZIRZRX-INIZCTEOSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924963827 1030236751 /nfs/dbraw/zinc/23/67/51/1030236751.db2.gz MGDXEEONWHEGEZ-SNVBAGLBSA-N 2 0 306.397 3.759 20 0 DHADRP CC[NH+](CC)Cc1ccccc1-n1c(N)[nH+]c2ccc(C)cc21 ZINC001211986899 1030247903 /nfs/dbraw/zinc/24/79/03/1030247903.db2.gz ZBEZIJFVCSOHHR-UHFFFAOYSA-N 2 0 308.429 3.758 20 0 DHADRP Cc1ccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000533288718 1030250019 /nfs/dbraw/zinc/25/00/19/1030250019.db2.gz XHMFJFCKSINOIH-SFHVURJKSA-N 2 0 318.530 3.813 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866372403 1030262336 /nfs/dbraw/zinc/26/23/36/1030262336.db2.gz FVDLYFZXLKXXDV-STQMWFEESA-N 2 0 321.852 3.864 20 0 DHADRP CC1CCC(O)(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000357997441 1030272529 /nfs/dbraw/zinc/27/25/29/1030272529.db2.gz CZPRYALOZOYNBU-FUFFSDJGSA-N 2 0 322.537 3.514 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171019528 1030300457 /nfs/dbraw/zinc/30/04/57/1030300457.db2.gz XRPDRFYBIPHRKQ-ZBFHGGJFSA-N 2 0 306.881 3.519 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000866470323 1030310532 /nfs/dbraw/zinc/31/05/32/1030310532.db2.gz VLAOLEWUNFAVSG-OAHLLOKOSA-N 2 0 315.461 3.989 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000866470108 1030310851 /nfs/dbraw/zinc/31/08/51/1030310851.db2.gz RPHFUDUUNRYPNN-AWEZNQCLSA-N 2 0 309.885 3.896 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000866470513 1030311003 /nfs/dbraw/zinc/31/10/03/1030311003.db2.gz YBSDKJUTXBLVAI-GOSISDBHSA-N 2 0 301.478 3.559 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866478028 1030311724 /nfs/dbraw/zinc/31/17/24/1030311724.db2.gz DJABGEXBMRRFIH-MAUKXSAKSA-N 2 0 322.518 3.563 20 0 DHADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC(C)(C)C[NH3+] ZINC001246252955 1030332947 /nfs/dbraw/zinc/33/29/47/1030332947.db2.gz YGDPDXALWWVONK-JTQLQIEISA-N 2 0 304.812 3.514 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246147390 1030334331 /nfs/dbraw/zinc/33/43/31/1030334331.db2.gz BRUOYYRSOIDVSS-IAGOWNOFSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000925296413 1030336017 /nfs/dbraw/zinc/33/60/17/1030336017.db2.gz XPYYBVOBAPFMDT-ZYSHUDEJSA-N 2 0 304.478 3.602 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000866518154 1030341821 /nfs/dbraw/zinc/34/18/21/1030341821.db2.gz TXSYZFFGFYZAGA-UHFFFAOYSA-N 2 0 304.453 3.924 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)CCC2 ZINC000866516392 1030342780 /nfs/dbraw/zinc/34/27/80/1030342780.db2.gz QYCRZFMMKHLUMK-TXKKKEFDSA-N 2 0 321.534 3.935 20 0 DHADRP OCCCCCCCCCCCC[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246272744 1030380953 /nfs/dbraw/zinc/38/09/53/1030380953.db2.gz NNLBYSQTEWFZIC-SFHVURJKSA-N 2 0 310.526 3.611 20 0 DHADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3c[nH+]cn3C)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001171032780 1030397593 /nfs/dbraw/zinc/39/75/93/1030397593.db2.gz WSEQPDICQDXKCW-KKFZBWNWSA-N 2 0 318.509 3.790 20 0 DHADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171033220 1030398098 /nfs/dbraw/zinc/39/80/98/1030398098.db2.gz LIIWPJLCICOSJS-OAGGEKHMSA-N 2 0 306.881 3.660 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000291214474 1030405347 /nfs/dbraw/zinc/40/53/47/1030405347.db2.gz OKLFGRVQTFRWLL-UHFFFAOYSA-N 2 0 316.420 3.576 20 0 DHADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925571998 1030410042 /nfs/dbraw/zinc/41/00/42/1030410042.db2.gz HRINBVKHNXPCAY-LSTHTHJFSA-N 2 0 312.457 3.568 20 0 DHADRP CC(C)(C[NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CCCCO1 ZINC000925582362 1030411084 /nfs/dbraw/zinc/41/10/84/1030411084.db2.gz ZFHBPMYSRNGYAC-QZTJIDSGSA-N 2 0 304.478 3.652 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)CC1 ZINC000925607417 1030420059 /nfs/dbraw/zinc/42/00/59/1030420059.db2.gz PJWYPCYSLCXSEH-TXQGORRRSA-N 3 0 321.553 3.525 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000925622218 1030424545 /nfs/dbraw/zinc/42/45/45/1030424545.db2.gz LXEIOJBVQGRVSY-VQTJNVASSA-N 2 0 324.468 3.570 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925635613 1030429417 /nfs/dbraw/zinc/42/94/17/1030429417.db2.gz STPUKDOAHHFJOJ-IIBYNOLFSA-N 2 0 323.484 3.586 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925637496 1030430203 /nfs/dbraw/zinc/43/02/03/1030430203.db2.gz MMQZFVLJAVIBOL-MRXNPFEDSA-N 2 0 322.374 3.716 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925655074 1030441228 /nfs/dbraw/zinc/44/12/28/1030441228.db2.gz JDCBFIKLJNYHJU-POEZBYADSA-N 2 0 304.865 3.705 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](c3ccccc3Cl)C1)[NH2+]2 ZINC000925677042 1030450909 /nfs/dbraw/zinc/45/09/09/1030450909.db2.gz VKKKCUSVXCXOQQ-MCKLEBTQSA-N 2 0 304.865 3.705 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccccc1 ZINC000925721828 1030464505 /nfs/dbraw/zinc/46/45/05/1030464505.db2.gz GXDCNMKXGBBCGM-MOPGFXCFSA-N 2 0 316.489 3.796 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]CCC2CC[NH+](CC)CC2)c1 ZINC000121723496 1030468993 /nfs/dbraw/zinc/46/89/93/1030468993.db2.gz HVZXIHJZHVUWIX-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925735592 1030469886 /nfs/dbraw/zinc/46/98/86/1030469886.db2.gz GWHAFZTVQSFREU-GUDVDZBRSA-N 2 0 314.473 3.583 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1noc2ccc(F)cc12)c1ccccc1 ZINC000925733322 1030469999 /nfs/dbraw/zinc/46/99/99/1030469999.db2.gz JZKISHHDDQVOLQ-MRXNPFEDSA-N 2 0 313.376 3.537 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)C[C@@H](O)c2ccccc2)CC1 ZINC000925292755 1030470621 /nfs/dbraw/zinc/47/06/21/1030470621.db2.gz NNFRKTUHPVERKS-YLJYHZDGSA-N 2 0 318.505 3.599 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000925760797 1030484426 /nfs/dbraw/zinc/48/44/26/1030484426.db2.gz SCZNZZXKKCJHKA-ZWKOTPCHSA-N 2 0 320.452 3.639 20 0 DHADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246307238 1030485335 /nfs/dbraw/zinc/48/53/35/1030485335.db2.gz DLXMFDUPZCJLHV-OCCSQVGLSA-N 2 0 300.899 3.784 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc2c(s1)CCCC2 ZINC000925780369 1030494660 /nfs/dbraw/zinc/49/46/60/1030494660.db2.gz FDCKFSMJIDBISV-WCQYABFASA-N 2 0 314.445 3.522 20 0 DHADRP FC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000558257530 1030503303 /nfs/dbraw/zinc/50/33/03/1030503303.db2.gz QWJLPWFCYDXCKB-CEXWTWQISA-N 2 0 316.464 3.769 20 0 DHADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000925807872 1030506448 /nfs/dbraw/zinc/50/64/48/1030506448.db2.gz KYXNLBBWTYVCMN-CQSZACIVSA-N 2 0 309.885 3.946 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000925822986 1030509852 /nfs/dbraw/zinc/50/98/52/1030509852.db2.gz NFKRSVRQFVKQRA-IJAXVFOYSA-N 3 0 313.489 3.518 20 0 DHADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccn4)C3)CC2)cc1 ZINC000291463010 1030512671 /nfs/dbraw/zinc/51/26/71/1030512671.db2.gz NTTMIWRPZMMXMW-UHFFFAOYSA-N 2 0 321.468 3.570 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000925882024 1030532373 /nfs/dbraw/zinc/53/23/73/1030532373.db2.gz IUYLTSHXWFDCGZ-PEYYIBSZSA-N 2 0 323.278 3.544 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000925886237 1030533615 /nfs/dbraw/zinc/53/36/15/1030533615.db2.gz DTKBUXONSJOSOM-JCGIZDLHSA-N 2 0 322.443 3.849 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)s1 ZINC000925889165 1030536856 /nfs/dbraw/zinc/53/68/56/1030536856.db2.gz ZPQWCBYODJMNQO-KYJSFNMBSA-N 2 0 300.471 3.766 20 0 DHADRP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887588 1030537019 /nfs/dbraw/zinc/53/70/19/1030537019.db2.gz HKIODTKAJSJXJN-UIFIKXQLSA-N 2 0 308.469 3.575 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000925887710 1030537497 /nfs/dbraw/zinc/53/74/97/1030537497.db2.gz KSRXCOCYILQYKF-POAQFYNOSA-N 2 0 324.493 3.872 20 0 DHADRP [NH3+]CCCCCCCCCCC[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246332151 1030576040 /nfs/dbraw/zinc/57/60/40/1030576040.db2.gz DZNNGAUVILNVQN-SFHVURJKSA-N 3 0 309.542 3.720 20 0 DHADRP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246568808 1030636666 /nfs/dbraw/zinc/63/66/66/1030636666.db2.gz BDPIIXOMTBPGKO-KGLIPLIRSA-N 2 0 319.399 3.714 20 0 DHADRP COc1cc2c(NC[C@H](C)C[NH+]3CCCC3)cc[nH+]c2cc1F ZINC000358948710 1030690761 /nfs/dbraw/zinc/69/07/61/1030690761.db2.gz IQGUMESLJLDRIU-ZDUSSCGKSA-N 2 0 317.408 3.526 20 0 DHADRP C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926372397 1030717327 /nfs/dbraw/zinc/71/73/27/1030717327.db2.gz QGKXYCWPTBSJLU-BRWVUGGUSA-N 2 0 318.505 3.993 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccsc2)[C@@H](C)C1 ZINC000248200424 1030723290 /nfs/dbraw/zinc/72/32/90/1030723290.db2.gz YMQYOAMJACKXHL-ZOBUZTSGSA-N 2 0 310.507 3.536 20 0 DHADRP Clc1cccc2c1[C@H]([NH2+]CCCCC[NH+]1CCCC1)COC2 ZINC000926488147 1030761154 /nfs/dbraw/zinc/76/11/54/1030761154.db2.gz UXNZRWKPNSQXNY-QGZVFWFLSA-N 2 0 322.880 3.767 20 0 DHADRP c1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCC2)C2CCC2)nc1 ZINC000926488033 1030762039 /nfs/dbraw/zinc/76/20/39/1030762039.db2.gz SKGZRLAWZKBFJP-IBGZPJMESA-N 2 0 301.478 3.779 20 0 DHADRP C[C@H]([NH2+]CCCC1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000926495930 1030767962 /nfs/dbraw/zinc/76/79/62/1030767962.db2.gz XVIWSQCCJFWUDM-INIZCTEOSA-N 2 0 304.478 3.606 20 0 DHADRP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C1CCCC1 ZINC000926572056 1030801554 /nfs/dbraw/zinc/80/15/54/1030801554.db2.gz CVXYHAVOUYJZHH-IPQPSQTFSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573576 1030806249 /nfs/dbraw/zinc/80/62/49/1030806249.db2.gz NTUNMFKHUSUWMO-CVEARBPZSA-N 2 0 313.445 3.724 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000558800573 1030817301 /nfs/dbraw/zinc/81/73/01/1030817301.db2.gz VWZKGHUXQURRAC-MRXNPFEDSA-N 2 0 308.466 3.684 20 0 DHADRP C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000926647547 1030839757 /nfs/dbraw/zinc/83/97/57/1030839757.db2.gz FCNSRUBYEIUNAP-FOIQADDNSA-N 2 0 316.489 3.604 20 0 DHADRP C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000926647548 1030840431 /nfs/dbraw/zinc/84/04/31/1030840431.db2.gz FCNSRUBYEIUNAP-MGPUTAFESA-N 2 0 316.489 3.604 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc2ccccc21 ZINC000926666273 1030851924 /nfs/dbraw/zinc/85/19/24/1030851924.db2.gz RLTRUPWGVGTBEG-RLFYNMQTSA-N 2 0 312.457 3.839 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000658354960 1030868018 /nfs/dbraw/zinc/86/80/18/1030868018.db2.gz GOPLPLFKAUQHOR-CYBMUJFWSA-N 2 0 321.534 3.787 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc2ccccc2[nH]1 ZINC000926733985 1030891271 /nfs/dbraw/zinc/89/12/71/1030891271.db2.gz YOOSWNCABZETPR-OAHLLOKOSA-N 2 0 311.473 3.941 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OC(F)F)c1 ZINC000161608419 1030930912 /nfs/dbraw/zinc/93/09/12/1030930912.db2.gz BEOZNVPWRWWDEI-NWANDNLSSA-N 2 0 310.388 3.565 20 0 DHADRP C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926894146 1030973694 /nfs/dbraw/zinc/97/36/94/1030973694.db2.gz KDMSEOXFMAOVBW-YWZLYKJASA-N 2 0 309.457 3.945 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000927036987 1031045388 /nfs/dbraw/zinc/04/53/88/1031045388.db2.gz LEWPEHBBYVGXCR-TZQQIIETSA-N 2 0 323.484 3.632 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(C)n1 ZINC000927036834 1031046308 /nfs/dbraw/zinc/04/63/08/1031046308.db2.gz GWKJXVNPSKUOIV-LRYGQEGESA-N 2 0 301.478 3.756 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(O)ccc1F ZINC000927036881 1031046740 /nfs/dbraw/zinc/04/67/40/1031046740.db2.gz KEWWNAGXNPYPMR-VNSJNIRKSA-N 2 0 306.425 3.589 20 0 DHADRP Cc1c([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cnn1C(C)C ZINC000927036908 1031047054 /nfs/dbraw/zinc/04/70/54/1031047054.db2.gz KQHGQVLGTXBCOD-LSJNQWAISA-N 2 0 318.509 3.830 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038411 1031047103 /nfs/dbraw/zinc/04/71/03/1031047103.db2.gz QLFMNOOAINAFPG-CBCUQQMYSA-N 2 0 308.491 3.814 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038873 1031047141 /nfs/dbraw/zinc/04/71/41/1031047141.db2.gz RMZZMQQKTPQBRQ-OTBHMBEGSA-N 2 0 316.489 3.759 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000927040166 1031048064 /nfs/dbraw/zinc/04/80/64/1031048064.db2.gz YTINYIPAEKEGLC-LSJNQWAISA-N 2 0 302.462 3.753 20 0 DHADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261758263 1031059358 /nfs/dbraw/zinc/05/93/58/1031059358.db2.gz LCGZJGHLHDZYSC-ABAIWWIYSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261758264 1031059940 /nfs/dbraw/zinc/05/99/40/1031059940.db2.gz LCGZJGHLHDZYSC-IAQYHMDHSA-N 2 0 301.261 3.986 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000261774150 1031061883 /nfs/dbraw/zinc/06/18/83/1031061883.db2.gz DZFKPJMOMDJDOO-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000262115744 1031097634 /nfs/dbraw/zinc/09/76/34/1031097634.db2.gz WWMOAHYCCXFCQE-GOSISDBHSA-N 2 0 316.445 3.740 20 0 DHADRP Fc1ccccc1CC[N@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000262287547 1031110148 /nfs/dbraw/zinc/11/01/48/1031110148.db2.gz VNWHGVJFCSIYJS-UHFFFAOYSA-N 2 0 304.453 3.612 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000123478849 1031134926 /nfs/dbraw/zinc/13/49/26/1031134926.db2.gz AIGBYNDIGLYFIB-ROUUACIJSA-N 2 0 308.510 3.577 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000359936302 1031206929 /nfs/dbraw/zinc/20/69/29/1031206929.db2.gz RCNRRXCSGOPPTP-FXAWDEMLSA-N 2 0 318.505 3.679 20 0 DHADRP CC[C@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000359941537 1031207240 /nfs/dbraw/zinc/20/72/40/1031207240.db2.gz KOUMYTHTRSRNRO-VQIMIIECSA-N 2 0 304.478 3.576 20 0 DHADRP CCc1nc(C(C)C)ccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000292897173 1031240185 /nfs/dbraw/zinc/24/01/85/1031240185.db2.gz VSVAOYVVYFNXRI-NVXWUHKLSA-N 2 0 303.494 3.682 20 0 DHADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139240 1031240999 /nfs/dbraw/zinc/24/09/99/1031240999.db2.gz KCONQPOVLIUVKE-KGLIPLIRSA-N 2 0 313.272 3.535 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC001246540901 1031245999 /nfs/dbraw/zinc/24/59/99/1031245999.db2.gz XGTBRAJDQURZKQ-NSHDSACASA-N 2 0 301.261 3.595 20 0 DHADRP CCC[N@H+](CCC[NH3+])[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139687 1031253983 /nfs/dbraw/zinc/25/39/83/1031253983.db2.gz POFURIBDASQFEO-AWEZNQCLSA-N 2 0 315.288 3.912 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000455638920 1031256611 /nfs/dbraw/zinc/25/66/11/1031256611.db2.gz LTZCLCPGAYLXQI-SFHVURJKSA-N 2 0 314.498 3.930 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CCCOc2cc(C)ccc21)N1CCCC1 ZINC000360079910 1031266030 /nfs/dbraw/zinc/26/60/30/1031266030.db2.gz VAJDGEVCYXYWHU-AEFFLSMTSA-N 2 0 302.462 3.673 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)[C@@H](C)C1 ZINC000536660309 1031369638 /nfs/dbraw/zinc/36/96/38/1031369638.db2.gz DVIXDZVFJILFCS-MAUKXSAKSA-N 2 0 316.489 3.562 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCCOC1 ZINC000872017523 1031398813 /nfs/dbraw/zinc/39/88/13/1031398813.db2.gz BCPHYUQPEGDFDN-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc2c(c1)CCCO2 ZINC000844925042 1031404562 /nfs/dbraw/zinc/40/45/62/1031404562.db2.gz PCFDWBIELRXBHZ-HXUWFJFHSA-N 2 0 324.468 3.972 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872022783 1031405270 /nfs/dbraw/zinc/40/52/70/1031405270.db2.gz KYDAVUZAADMBDU-FGTMMUONSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(O)c1F ZINC000872023833 1031408460 /nfs/dbraw/zinc/40/84/60/1031408460.db2.gz VYZUFVUFLOWAPZ-GJZGRUSLSA-N 2 0 308.441 3.837 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872027083 1031412103 /nfs/dbraw/zinc/41/21/03/1031412103.db2.gz BUBMVQRNUCJPJE-UYAOXDASSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000560339826 1031421108 /nfs/dbraw/zinc/42/11/08/1031421108.db2.gz ICJSMPLLNDJLSQ-UHFFFAOYSA-N 2 0 324.509 3.970 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(OC)c1 ZINC000360433553 1031424393 /nfs/dbraw/zinc/42/43/93/1031424393.db2.gz LPQBXYYAORRZBJ-IBGZPJMESA-N 2 0 302.462 3.610 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872041312 1031426224 /nfs/dbraw/zinc/42/62/24/1031426224.db2.gz HHSUJEKWQJYPBD-IBGZPJMESA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc(O)c1F ZINC000872042341 1031427517 /nfs/dbraw/zinc/42/75/17/1031427517.db2.gz NRDWIMHGRMYOHP-FHERZECASA-N 2 0 320.452 3.979 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000536847661 1031454712 /nfs/dbraw/zinc/45/47/12/1031454712.db2.gz VYGPIMMFTWSHKK-SLFFLAALSA-N 2 0 322.537 3.703 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000536848243 1031454803 /nfs/dbraw/zinc/45/48/03/1031454803.db2.gz XBMMZJFEXCSCNS-BHIYHBOVSA-N 2 0 320.521 3.721 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCOC1 ZINC000872069309 1031465509 /nfs/dbraw/zinc/46/55/09/1031465509.db2.gz OSUQALACHJSAHQ-UHOSZYNNSA-N 2 0 308.510 3.578 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCCSC)CC1)CC(C)C ZINC000536888249 1031468477 /nfs/dbraw/zinc/46/84/77/1031468477.db2.gz YGUIFRQANSDKQJ-UHFFFAOYSA-N 2 0 300.556 3.820 20 0 DHADRP Clc1ccccc1SCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360548644 1031469900 /nfs/dbraw/zinc/46/99/00/1031469900.db2.gz VBAWOCJPLWGEON-INIZCTEOSA-N 2 0 310.894 3.508 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423252080 1031509239 /nfs/dbraw/zinc/50/92/39/1031509239.db2.gz TVIODQWQYVYBDH-MAUKXSAKSA-N 2 0 302.462 3.613 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCC(C)(F)F)C2)CC1 ZINC000929422089 1031518686 /nfs/dbraw/zinc/51/86/86/1031518686.db2.gz OUTKFTCQKOTNFE-INIZCTEOSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Br)cs1 ZINC000423429043 1031524068 /nfs/dbraw/zinc/52/40/68/1031524068.db2.gz JYEBCDNYEIGLKS-NXEZZACHSA-N 2 0 305.285 3.679 20 0 DHADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156077 1031535343 /nfs/dbraw/zinc/53/53/43/1031535343.db2.gz DKAABZHRPVNJCH-ZMSDIMECSA-N 2 0 305.466 3.664 20 0 DHADRP Cc1ccc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nc1 ZINC000872156939 1031538212 /nfs/dbraw/zinc/53/82/12/1031538212.db2.gz MMEKNMXWLNPPER-APWZRJJASA-N 2 0 301.478 3.510 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000537204440 1031538792 /nfs/dbraw/zinc/53/87/92/1031538792.db2.gz PHZKCRXNBQCONY-ICSRJNTNSA-N 2 0 316.489 3.638 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1)C1CCCC1 ZINC000872157522 1031541203 /nfs/dbraw/zinc/54/12/03/1031541203.db2.gz PFVHGIBIFMSFAO-KBXCAEBGSA-N 2 0 317.477 3.672 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857890 1031542844 /nfs/dbraw/zinc/54/28/44/1031542844.db2.gz OIUDFATVLYFSHU-CZUORRHYSA-N 2 0 314.395 3.758 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C ZINC000360772881 1031555535 /nfs/dbraw/zinc/55/55/35/1031555535.db2.gz OOKFNZKZTHWHFV-UXLLHSPISA-N 2 0 312.461 3.738 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000537406426 1031593130 /nfs/dbraw/zinc/59/31/30/1031593130.db2.gz IBEDXFRRIJTXQA-CADBVGFASA-N 2 0 310.526 3.680 20 0 DHADRP FC1(F)[C@@H](C[NH+]2CCC(c3ncc[nH]3)CC2)[C@@H]1c1ccccc1 ZINC000929804713 1031614721 /nfs/dbraw/zinc/61/47/21/1031614721.db2.gz XSKOKVXZQSOYCD-HOTGVXAUSA-N 2 0 317.383 3.638 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cccc3ncccc23)CC1 ZINC000873014819 1031692789 /nfs/dbraw/zinc/69/27/89/1031692789.db2.gz WFOGERQQVJEWBQ-UHFFFAOYSA-N 2 0 311.473 3.837 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)nc1 ZINC000399752393 1031706009 /nfs/dbraw/zinc/70/60/09/1031706009.db2.gz NTILDUYQCOWORG-WIYYLYMNSA-N 2 0 323.484 3.575 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2[nH]c(C)nc2C)CC1)CC(C)C ZINC000930179729 1031722282 /nfs/dbraw/zinc/72/22/82/1031722282.db2.gz OTWSJZPJWQUAIO-UHFFFAOYSA-N 2 0 320.525 3.607 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2cncs2)CC1 ZINC000361154014 1031759466 /nfs/dbraw/zinc/75/94/66/1031759466.db2.gz NJPCPXBMYHUPOS-QGZVFWFLSA-N 2 0 315.486 3.630 20 0 DHADRP Cc1cccc2c1CCC[C@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213070 1031761389 /nfs/dbraw/zinc/76/13/89/1031761389.db2.gz WIBPDJQOXOJFBJ-GOSISDBHSA-N 2 0 312.482 3.869 20 0 DHADRP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C)c1cccc(O)c1 ZINC000873207443 1031762050 /nfs/dbraw/zinc/76/20/50/1031762050.db2.gz CAEGJFSZXUAMFB-ZDUSSCGKSA-N 2 0 316.470 3.683 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)C3CC[NH2+]CC3)s2)cc1 ZINC000873222563 1031763789 /nfs/dbraw/zinc/76/37/89/1031763789.db2.gz ZSVGWAXUOJXNNJ-AWEZNQCLSA-N 2 0 315.486 3.596 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000873234383 1031768376 /nfs/dbraw/zinc/76/83/76/1031768376.db2.gz BUJPPEGHTULPMP-LSDHHAIUSA-N 2 0 312.379 3.543 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000873252203 1031774523 /nfs/dbraw/zinc/77/45/23/1031774523.db2.gz QAZTVPGKUULXQS-KYNGSXCRSA-N 2 0 316.395 3.576 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1OCc1ccccc1 ZINC000873255596 1031774347 /nfs/dbraw/zinc/77/43/47/1031774347.db2.gz IAJCAQBKGSWEJC-NXHRZFHOSA-N 2 0 310.441 3.654 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254473 1031775458 /nfs/dbraw/zinc/77/54/58/1031775458.db2.gz UNBCPUMUCLPVPN-IXDOHACOSA-N 2 0 300.471 3.667 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000873252613 1031775721 /nfs/dbraw/zinc/77/57/21/1031775721.db2.gz TYBOKTOFCKJJLT-BJKJVOPESA-N 2 0 312.379 3.668 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000873265001 1031778367 /nfs/dbraw/zinc/77/83/67/1031778367.db2.gz SDSNXFWJVPPIRE-RJZRQDKASA-N 2 0 308.466 3.729 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)C1CC[NH2+]CC1 ZINC000873267746 1031781413 /nfs/dbraw/zinc/78/14/13/1031781413.db2.gz IWHCXFGNHMDLKF-WBMJQRKESA-N 2 0 308.853 3.531 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000873268646 1031782529 /nfs/dbraw/zinc/78/25/29/1031782529.db2.gz YFGUGAPNYWYCLA-MGPQQGTHSA-N 2 0 317.502 3.766 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)C1CC[NH2+]CC1 ZINC000873271582 1031784427 /nfs/dbraw/zinc/78/44/27/1031784427.db2.gz IWHCXFGNHMDLKF-BLLLJJGKSA-N 2 0 308.853 3.531 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000873291852 1031791885 /nfs/dbraw/zinc/79/18/85/1031791885.db2.gz YMUWEXHPNSWIAR-IRXDYDNUSA-N 2 0 322.880 3.539 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000873291849 1031793710 /nfs/dbraw/zinc/79/37/10/1031793710.db2.gz YMUWEXHPNSWIAR-DLBZAZTESA-N 2 0 322.880 3.539 20 0 DHADRP c1ccc2c(c1)CCC[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000897709755 1031796818 /nfs/dbraw/zinc/79/68/18/1031796818.db2.gz SKPGAMIIQUVDDH-HXUWFJFHSA-N 2 0 321.468 3.588 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000361331285 1031868802 /nfs/dbraw/zinc/86/88/02/1031868802.db2.gz NKBNDGLQOBFKPZ-KRWDZBQOSA-N 2 0 319.468 3.576 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172660918 1033311005 /nfs/dbraw/zinc/31/10/05/1033311005.db2.gz LVDQSDANIURIFI-UHFFFAOYSA-N 2 0 310.526 3.919 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](C1CC(C)(C)OC(C)(C)C1)CC2 ZINC001172659846 1033311729 /nfs/dbraw/zinc/31/17/29/1033311729.db2.gz MJFZTKBSJBPXLZ-UHFFFAOYSA-N 2 0 308.510 3.530 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000643523182 1033351105 /nfs/dbraw/zinc/35/11/05/1033351105.db2.gz XERRLLSDXOYZHP-SJORKVTESA-N 2 0 320.477 3.667 20 0 DHADRP c1ccc(CC2CCC([NH2+]CC34CC[NH+](CC3)CC4)CC2)cc1 ZINC001172819635 1033379672 /nfs/dbraw/zinc/37/96/72/1033379672.db2.gz IVZMVZCQNIOMAP-UHFFFAOYSA-N 2 0 312.501 3.863 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818695 1033381479 /nfs/dbraw/zinc/38/14/79/1033381479.db2.gz PZLSWZWDUDCCSW-MHJFOBGBSA-N 2 0 300.490 3.862 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CCCC1CC[NH+](C)CC1)CC2 ZINC001172830896 1033392154 /nfs/dbraw/zinc/39/21/54/1033392154.db2.gz LANIICMDSJBINE-FQEVSTJZSA-N 2 0 300.490 3.564 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1F ZINC000927036733 1033404018 /nfs/dbraw/zinc/40/40/18/1033404018.db2.gz FNEJCZPDRKXOOY-ICXUMSERSA-N 2 0 320.452 3.892 20 0 DHADRP [NH3+][C@H]1CCc2c(c3ccccc3n2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168360592 1033406512 /nfs/dbraw/zinc/40/65/12/1033406512.db2.gz TZTSQTAYXMQREI-INIZCTEOSA-N 2 0 323.484 3.504 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(C(C)(C)C)cs1)CC2 ZINC000877684645 1033410137 /nfs/dbraw/zinc/41/01/37/1033410137.db2.gz ZOCHFCUHTYHYFY-UHFFFAOYSA-N 2 0 321.534 3.748 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CC2 ZINC001172841574 1033413275 /nfs/dbraw/zinc/41/32/75/1033413275.db2.gz HRFAATDWORZEHJ-FQEVSTJZSA-N 2 0 300.490 3.562 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172846567 1033418197 /nfs/dbraw/zinc/41/81/97/1033418197.db2.gz VFZRXPUVWNHBIB-ZDUSSCGKSA-N 2 0 312.860 3.732 20 0 DHADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711434 1033420751 /nfs/dbraw/zinc/42/07/51/1033420751.db2.gz JBQPYSKNCMDNGP-LKJMTOHESA-N 2 0 318.442 3.562 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCCCC[NH3+] ZINC001172858255 1033426053 /nfs/dbraw/zinc/42/60/53/1033426053.db2.gz FETBILWVDIUDPT-ZDUSSCGKSA-N 2 0 300.849 3.909 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC001172871908 1033442760 /nfs/dbraw/zinc/44/27/60/1033442760.db2.gz RFQIKVKXOWUSGW-CQSZACIVSA-N 2 0 312.910 3.896 20 0 DHADRP Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000478284917 1033445047 /nfs/dbraw/zinc/44/50/47/1033445047.db2.gz JPEZVHQAKDIFQM-KRWDZBQOSA-N 2 0 315.486 3.759 20 0 DHADRP COc1cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)[nH+]cc1C ZINC001212689818 1033462596 /nfs/dbraw/zinc/46/25/96/1033462596.db2.gz LKRNGTFQMOIIQD-UHFFFAOYSA-N 2 0 311.429 3.951 20 0 DHADRP CC(C)COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000552635988 1033465027 /nfs/dbraw/zinc/46/50/27/1033465027.db2.gz ABHMMGQFTVDNTC-SFHVURJKSA-N 2 0 304.478 3.541 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535769 1033472689 /nfs/dbraw/zinc/47/26/89/1033472689.db2.gz IYPSBYQQZSMQQY-CRAIPNDOSA-N 2 0 302.462 3.658 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C(c1ccccc1)c1ccccc1 ZINC000643536802 1033472933 /nfs/dbraw/zinc/47/29/33/1033472933.db2.gz WOFCQRVINOEVHP-YLJYHZDGSA-N 2 0 320.480 3.939 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000877834800 1033478874 /nfs/dbraw/zinc/47/88/74/1033478874.db2.gz ZMRZNRCOWXZFKR-UKRRQHHQSA-N 2 0 300.437 3.807 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(C)CC(F)(F)C3)CC2)C1 ZINC000877833551 1033479167 /nfs/dbraw/zinc/47/91/67/1033479167.db2.gz IHALABJGPVTYGA-DZGCQCFKSA-N 2 0 300.437 3.807 20 0 DHADRP Cc1csc2sc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c(C)c12 ZINC001206185006 1033485272 /nfs/dbraw/zinc/48/52/72/1033485272.db2.gz KKWCLVDCJAQGAE-NEPJUHHUSA-N 2 0 312.479 3.841 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040955 1033508060 /nfs/dbraw/zinc/50/80/60/1033508060.db2.gz QSQNVMBTPUUKKZ-QGZVFWFLSA-N 2 0 308.510 3.580 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173045551 1033510443 /nfs/dbraw/zinc/51/04/43/1033510443.db2.gz ZNUDZGVUGOEXBJ-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)C2CCC3(CCOCC3)CC2)CC1 ZINC001173043992 1033510837 /nfs/dbraw/zinc/51/08/37/1033510837.db2.gz KRIUCFIQNWRCIJ-IYARVYRRSA-N 2 0 320.521 3.708 20 0 DHADRP CCCOC1CCC([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001173094393 1033524426 /nfs/dbraw/zinc/52/44/26/1033524426.db2.gz JLWDZGODVDYJIJ-QHGAOEGBSA-N 2 0 318.505 3.821 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001173103278 1033539833 /nfs/dbraw/zinc/53/98/33/1033539833.db2.gz HBZTVRYZTBOVFX-DAWZGUTISA-N 2 0 324.896 3.616 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC001173101001 1033539860 /nfs/dbraw/zinc/53/98/60/1033539860.db2.gz BDDGBZPLDZHJQY-ZLPCBKJTSA-N 2 0 304.478 3.999 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCOc2ccc(F)cc2)CC1 ZINC001173102711 1033540513 /nfs/dbraw/zinc/54/05/13/1033540513.db2.gz BEKGDJHIPHMMFC-UHFFFAOYSA-N 2 0 322.468 3.837 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)CCc2ccc(O)cc2)CC1 ZINC001173104109 1033543003 /nfs/dbraw/zinc/54/30/03/1033543003.db2.gz JHXJYMBAKKZUAC-IPJUCJBFSA-N 2 0 318.505 3.956 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCOc2cccc(Cl)c2)CC1 ZINC001173105796 1033543093 /nfs/dbraw/zinc/54/30/93/1033543093.db2.gz UMOQKSFWJNVYDM-UHFFFAOYSA-N 2 0 324.896 3.961 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCOc2ccc(Cl)cc2)CC1 ZINC001173105347 1033543426 /nfs/dbraw/zinc/54/34/26/1033543426.db2.gz QXBVLBCXWPJRIJ-UHFFFAOYSA-N 2 0 324.896 3.961 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001173107544 1033544919 /nfs/dbraw/zinc/54/49/19/1033544919.db2.gz WOVKUPHKVXGCRE-UHFFFAOYSA-N 3 0 323.569 3.740 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[C@H]([NH+](CC)CC)CC2)CC1 ZINC001173108565 1033546016 /nfs/dbraw/zinc/54/60/16/1033546016.db2.gz NHUZVLIYFZHCMW-OFVLBHHSSA-N 3 0 323.569 3.882 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2([C@@H]3CCOC(C)(C)C3)CC2)CC1 ZINC001173108209 1033546251 /nfs/dbraw/zinc/54/62/51/1033546251.db2.gz GEKFYQKKJOZMFR-WWDZGPRUSA-N 2 0 322.537 3.967 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CC1 ZINC001173107086 1033546369 /nfs/dbraw/zinc/54/63/69/1033546369.db2.gz JSOLAINRMMUDKT-AOCRQIFASA-N 3 0 311.558 3.630 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)Cc2cccc3c2OCO3)CC1 ZINC001173117684 1033551630 /nfs/dbraw/zinc/55/16/30/1033551630.db2.gz SCYPZSKEGFDRPG-UHFFFAOYSA-N 2 0 318.461 3.500 20 0 DHADRP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CCc2ncsc2C1 ZINC001173127075 1033559082 /nfs/dbraw/zinc/55/90/82/1033559082.db2.gz UMBXFJKULHGLGY-INIZCTEOSA-N 2 0 323.550 3.882 20 0 DHADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173201940 1033593260 /nfs/dbraw/zinc/59/32/60/1033593260.db2.gz KQPFSHZQFUSOLR-APYVEAEZSA-N 2 0 316.489 3.839 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C(C)C)CC2)cc1 ZINC001173234694 1033608506 /nfs/dbraw/zinc/60/85/06/1033608506.db2.gz DGVQUCWMEFXHFV-KRWDZBQOSA-N 2 0 302.506 3.890 20 0 DHADRP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(OC)cc3)CC2)C1 ZINC001173268172 1033638359 /nfs/dbraw/zinc/63/83/59/1033638359.db2.gz AKVZRRPANAPZDH-WMZOPIPTSA-N 2 0 316.489 3.610 20 0 DHADRP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001173270627 1033641189 /nfs/dbraw/zinc/64/11/89/1033641189.db2.gz OGLMIOCEFWIBSU-QAPCUYQASA-N 2 0 304.453 3.740 20 0 DHADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286036 1033649944 /nfs/dbraw/zinc/64/99/44/1033649944.db2.gz JIZLZAZINJGGFT-ZMSDIMECSA-N 2 0 312.448 3.761 20 0 DHADRP CCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000667493967 1033766697 /nfs/dbraw/zinc/76/66/97/1033766697.db2.gz JKADQYIDYMEDLW-UHFFFAOYSA-N 2 0 304.478 3.698 20 0 DHADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000479460235 1033767203 /nfs/dbraw/zinc/76/72/03/1033767203.db2.gz XYAVXFYENVDNML-XLIONFOSSA-N 2 0 313.489 3.880 20 0 DHADRP Cc1cc2[nH]c(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)cc2c(C)c1 ZINC000479566985 1033818826 /nfs/dbraw/zinc/81/88/26/1033818826.db2.gz FBNYEIDXBZGIIY-QGZVFWFLSA-N 2 0 313.489 3.995 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173688550 1033834181 /nfs/dbraw/zinc/83/41/81/1033834181.db2.gz HEFJYFFMAZQDNV-SCCNAQOGSA-N 2 0 312.501 3.887 20 0 DHADRP C[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205985160 1033935346 /nfs/dbraw/zinc/93/53/46/1033935346.db2.gz WGPYICGHEVDZGO-VXGBXAGGSA-N 2 0 301.261 3.800 20 0 DHADRP C[N@H+]1Cc2c(Nc3cc[nH+]cc3)cccc2[C@@H](c2ccccc2)C1 ZINC001173884843 1033968616 /nfs/dbraw/zinc/96/86/16/1033968616.db2.gz ULCQTYHSQLRUQO-LJQANCHMSA-N 2 0 315.420 3.824 20 0 DHADRP CC(C)C[N@@H+](Cc1ncccc1Cl)CC1CC[NH+](C)CC1 ZINC000879703321 1034091432 /nfs/dbraw/zinc/09/14/32/1034091432.db2.gz ICXPKYCNWOSTGK-UHFFFAOYSA-N 2 0 309.885 3.535 20 0 DHADRP CC(C)C[N@@H+](Cc1ncc(C(C)(C)C)o1)CC1CC[NH+](C)CC1 ZINC000879702606 1034092162 /nfs/dbraw/zinc/09/21/62/1034092162.db2.gz RRSXROCYBZOVGN-UHFFFAOYSA-N 2 0 321.509 3.772 20 0 DHADRP Cc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC001174044997 1034100068 /nfs/dbraw/zinc/10/00/68/1034100068.db2.gz QFKUSPJEYMJDPM-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP Fc1ccc(C2CCC([NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000863482886 1034108544 /nfs/dbraw/zinc/10/85/44/1034108544.db2.gz MPKOJARBQBZHAG-VJFUWPCTSA-N 2 0 302.437 3.726 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000480174729 1034114506 /nfs/dbraw/zinc/11/45/06/1034114506.db2.gz BBFBMFWPGZZBEY-ILXRZTDVSA-N 2 0 324.431 3.587 20 0 DHADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(SC(F)F)cc1 ZINC000863543176 1034124187 /nfs/dbraw/zinc/12/41/87/1034124187.db2.gz LNSQODOUSOVZEV-DDTOSNHZSA-N 2 0 300.418 3.792 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000863553968 1034127045 /nfs/dbraw/zinc/12/70/45/1034127045.db2.gz NYFHEMKINUGNPI-UHFFFAOYSA-N 2 0 300.368 3.583 20 0 DHADRP C[C@@H](c1ccccn1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000177106680 1034134009 /nfs/dbraw/zinc/13/40/09/1034134009.db2.gz RCVGSZRZXAABGC-SFHVURJKSA-N 2 0 323.484 3.987 20 0 DHADRP CCCC[C@@H](COC)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000480273738 1034163200 /nfs/dbraw/zinc/16/32/00/1034163200.db2.gz KOGYUEYTANSQAH-IBGZPJMESA-N 2 0 304.478 3.577 20 0 DHADRP FC[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880235165 1034259583 /nfs/dbraw/zinc/25/95/83/1034259583.db2.gz KQGBRIGMNWEPNY-CALCHBBNSA-N 2 0 302.453 3.520 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000480601028 1034332803 /nfs/dbraw/zinc/33/28/03/1034332803.db2.gz NDBHDCQZBQCLRR-PXNSSMCTSA-N 2 0 318.505 3.822 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000480628778 1034350542 /nfs/dbraw/zinc/35/05/42/1034350542.db2.gz ZMMBYHRPXZMFRR-OXQOHEQNSA-N 2 0 316.489 3.927 20 0 DHADRP CSC1(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000554862738 1034372859 /nfs/dbraw/zinc/37/28/59/1034372859.db2.gz QGGRZQCUOGHNJH-SJLPKXTDSA-N 2 0 318.530 3.772 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000064845443 1034379085 /nfs/dbraw/zinc/37/90/85/1034379085.db2.gz YKLJMPWTCPQGHA-UHFFFAOYSA-N 2 0 300.421 3.746 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480698858 1034410031 /nfs/dbraw/zinc/41/00/31/1034410031.db2.gz NPPJNXAILRXMAL-GLJUWKHASA-N 2 0 310.432 3.606 20 0 DHADRP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccnc1 ZINC000186142371 1034604472 /nfs/dbraw/zinc/60/44/72/1034604472.db2.gz DAGLARQGTHEEMD-PKOBYXMFSA-N 2 0 303.494 3.880 20 0 DHADRP Cc1ccccc1CC(C)(C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365719 1034725255 /nfs/dbraw/zinc/72/52/55/1034725255.db2.gz VAIDIUQIOSHOLB-UHFFFAOYSA-N 2 0 300.490 3.780 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000481541188 1034873085 /nfs/dbraw/zinc/87/30/85/1034873085.db2.gz AAVWOYRUEGCRMM-APWZRJJASA-N 2 0 318.480 3.957 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000481943092 1035034884 /nfs/dbraw/zinc/03/48/84/1035034884.db2.gz FBTZLVAWRGYYLM-ABAIWWIYSA-N 2 0 316.367 3.502 20 0 DHADRP Cc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CCCC2)c1 ZINC000481931321 1035035859 /nfs/dbraw/zinc/03/58/59/1035035859.db2.gz IIBFKGHWFAYGIS-MJGOQNOKSA-N 2 0 300.490 3.737 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000629533984 1035044959 /nfs/dbraw/zinc/04/49/59/1035044959.db2.gz HBLHXOUPYLGVBX-JXFKEZNVSA-N 2 0 315.505 3.731 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000482117270 1035057120 /nfs/dbraw/zinc/05/71/20/1035057120.db2.gz CJABSFDGFASKLN-DLBZAZTESA-N 2 0 324.534 3.611 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OCC)cc2)CC1 ZINC000482504361 1035122904 /nfs/dbraw/zinc/12/29/04/1035122904.db2.gz DQYRKPLFWBOJIJ-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CC3CC[NH+](C)CC3)c(C)c2c1 ZINC000482538111 1035132089 /nfs/dbraw/zinc/13/20/89/1035132089.db2.gz OZLZHAPXAFRLAN-AWEZNQCLSA-N 2 0 316.445 3.742 20 0 DHADRP CCOc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000668169342 1035202806 /nfs/dbraw/zinc/20/28/06/1035202806.db2.gz OPEFWKUZVHWHID-IBGZPJMESA-N 2 0 316.489 3.557 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(C)C ZINC000482946859 1035203689 /nfs/dbraw/zinc/20/36/89/1035203689.db2.gz KTGRPQSLODUEHE-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000483180155 1035236998 /nfs/dbraw/zinc/23/69/98/1035236998.db2.gz URWJGQHBTLZHTQ-UHFFFAOYSA-N 2 0 300.899 3.955 20 0 DHADRP CCCOc1ccc(C(C)(C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000483277956 1035251001 /nfs/dbraw/zinc/25/10/01/1035251001.db2.gz ASRPREFOGIPWFM-KRWDZBQOSA-N 2 0 304.478 3.784 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)C[C@@H]1C ZINC000483282562 1035252193 /nfs/dbraw/zinc/25/21/93/1035252193.db2.gz PNPOKGBJUYOVCA-LPHOPBHVSA-N 2 0 316.489 3.780 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483504872 1035274224 /nfs/dbraw/zinc/27/42/24/1035274224.db2.gz LZZRMPHWPJAAIU-RTWAWAEBSA-N 2 0 308.469 3.798 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903067774 1035279346 /nfs/dbraw/zinc/27/93/46/1035279346.db2.gz XIGXIUINDSCMHR-JLYLLQBASA-N 2 0 314.473 3.721 20 0 DHADRP CC(C)[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cnn(C)c1 ZINC000903255227 1035294857 /nfs/dbraw/zinc/29/48/57/1035294857.db2.gz ZNQBXFUNFXTXNA-XBMUEBEBSA-N 2 0 318.509 3.504 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000483738309 1035295075 /nfs/dbraw/zinc/29/50/75/1035295075.db2.gz AACXAGRDACLRKY-IHRRRGAJSA-N 2 0 312.404 3.730 20 0 DHADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cncs1 ZINC000163231617 1035300210 /nfs/dbraw/zinc/30/02/10/1035300210.db2.gz PUJPLCKJYDXMCR-YQQAZPJKSA-N 2 0 315.486 3.847 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000484471787 1035337410 /nfs/dbraw/zinc/33/74/10/1035337410.db2.gz INTJDMDJZWHGIS-BLLLJJGKSA-N 2 0 315.288 3.856 20 0 DHADRP C[N@@H+]1C[C@]23C[NH+](CCOC4CCCCCC4)C[C@@]2(C1)CCCC3 ZINC001177007593 1035342717 /nfs/dbraw/zinc/34/27/17/1035342717.db2.gz AHSMWDZIGDUKMB-BGYRXZFFSA-N 2 0 320.521 3.534 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC001177127759 1035349750 /nfs/dbraw/zinc/34/97/50/1035349750.db2.gz MPODYQPLJOGWBM-QAPCUYQASA-N 2 0 306.519 3.902 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(CC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC001177328443 1035363576 /nfs/dbraw/zinc/36/35/76/1035363576.db2.gz NQAKKHJNDSEEEH-AWEZNQCLSA-N 2 0 314.395 3.613 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC001177742381 1035390448 /nfs/dbraw/zinc/39/04/48/1035390448.db2.gz HXLPQJDIONMBCL-SFHVURJKSA-N 2 0 318.505 3.994 20 0 DHADRP [NH3+]CC1CC([NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000904360245 1035403498 /nfs/dbraw/zinc/40/34/98/1035403498.db2.gz JTYZCSKVVNXTGD-ZTUNLMCQSA-N 2 0 300.833 3.756 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000904364215 1035407419 /nfs/dbraw/zinc/40/74/19/1035407419.db2.gz IPGPPVSRTFJNAR-XFBWCDHKSA-N 2 0 323.278 3.617 20 0 DHADRP CC(C)([NH3+])c1ccc(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000904477355 1035418223 /nfs/dbraw/zinc/41/82/23/1035418223.db2.gz UQUVNYLCZOAHOK-RBUKOAKNSA-N 2 0 309.457 3.786 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001178584896 1035435702 /nfs/dbraw/zinc/43/57/02/1035435702.db2.gz QREBZQZYESDDDJ-QXAKKESOSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@H]1SCC[C@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001179086882 1035464943 /nfs/dbraw/zinc/46/49/43/1035464943.db2.gz WIGQUYVETDELLW-NVXWUHKLSA-N 2 0 306.519 3.628 20 0 DHADRP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001179259106 1035470938 /nfs/dbraw/zinc/47/09/38/1035470938.db2.gz QPNZWIUIMFMGBI-MRXNPFEDSA-N 2 0 306.881 3.860 20 0 DHADRP Cc1ccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000485312964 1035539467 /nfs/dbraw/zinc/53/94/67/1035539467.db2.gz DADUCQGOVSWSTJ-HKUYNNGSSA-N 2 0 318.530 3.812 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC001179909121 1035546773 /nfs/dbraw/zinc/54/67/73/1035546773.db2.gz DUVREWGCFXFZIS-KSSFIOAISA-N 2 0 310.432 3.560 20 0 DHADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000195436244 1035568666 /nfs/dbraw/zinc/56/86/66/1035568666.db2.gz SSVMKIVGJOSZRD-UHFFFAOYSA-N 2 0 302.849 4.000 20 0 DHADRP CC(C)OCCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189957239 1035584194 /nfs/dbraw/zinc/58/41/94/1035584194.db2.gz QBVLQKSWUSEJPI-ROUUACIJSA-N 2 0 318.505 3.548 20 0 DHADRP CC[C@H](C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1)c1ccccc1 ZINC001180081971 1035586011 /nfs/dbraw/zinc/58/60/11/1035586011.db2.gz PBZBLCTVTAPGPW-QUCCMNQESA-N 2 0 318.505 3.613 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191102287 1035659159 /nfs/dbraw/zinc/65/91/59/1035659159.db2.gz LOBDZFJHMPAEIZ-HOTGVXAUSA-N 2 0 308.514 3.934 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C2CCC2)CC1 ZINC000668493546 1035668548 /nfs/dbraw/zinc/66/85/48/1035668548.db2.gz ROTYNLHBLTWSQO-UHFFFAOYSA-N 2 0 310.445 3.588 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001204268226 1035673378 /nfs/dbraw/zinc/67/33/78/1035673378.db2.gz GXSJWYGGICLAPB-IRXDYDNUSA-N 2 0 304.478 3.638 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC001204269792 1035686491 /nfs/dbraw/zinc/68/64/91/1035686491.db2.gz JWTYWXLSQJMFTH-UYAOXDASSA-N 2 0 316.489 3.782 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000191498044 1035693830 /nfs/dbraw/zinc/69/38/30/1035693830.db2.gz OKZYULUGWVBSGM-LJQANCHMSA-N 2 0 323.569 3.551 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001180801819 1035768848 /nfs/dbraw/zinc/76/88/48/1035768848.db2.gz KOUVKTFKPACCPJ-PXNSSMCTSA-N 2 0 318.505 3.558 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)CC1 ZINC001180839795 1035769401 /nfs/dbraw/zinc/76/94/01/1035769401.db2.gz ZTZSTYJRWVRESE-OXJNMPFZSA-N 2 0 316.489 3.810 20 0 DHADRP COc1ccsc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000539852745 1035909564 /nfs/dbraw/zinc/90/95/64/1035909564.db2.gz NNGMQIBXATZGGM-UHFFFAOYSA-N 2 0 322.518 3.845 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000540177628 1036001165 /nfs/dbraw/zinc/00/11/65/1036001165.db2.gz PXNXMEGBWBFZTF-SOLBZPMBSA-N 2 0 318.505 3.681 20 0 DHADRP Cc1nc2ccc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cc2s1 ZINC000494843586 1036079577 /nfs/dbraw/zinc/07/95/77/1036079577.db2.gz AOIDHDXVMKFSMO-UHFFFAOYSA-N 2 0 317.502 3.816 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000495077570 1036226413 /nfs/dbraw/zinc/22/64/13/1036226413.db2.gz FFEWCLPUGZVRRO-UHFFFAOYSA-N 2 0 300.899 3.955 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000541201208 1036257133 /nfs/dbraw/zinc/25/71/33/1036257133.db2.gz WATDXLCYPIGARG-QGZVFWFLSA-N 2 0 318.480 3.955 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC(OC(C)(C)C)C2)cc1 ZINC000491317454 1036319644 /nfs/dbraw/zinc/31/96/44/1036319644.db2.gz SPIUBBXQXKUMJQ-UHFFFAOYSA-N 2 0 318.505 3.964 20 0 DHADRP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000613259814 1036353074 /nfs/dbraw/zinc/35/30/74/1036353074.db2.gz GRVRTNFEJLIVJH-HKUYNNGSSA-N 2 0 304.478 3.685 20 0 DHADRP CCCC[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486725287 1036371197 /nfs/dbraw/zinc/37/11/97/1036371197.db2.gz WWNXNKLUQZXPFD-UHFFFAOYSA-N 2 0 303.425 3.661 20 0 DHADRP COc1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000541633811 1036388810 /nfs/dbraw/zinc/38/88/10/1036388810.db2.gz WBUXTSAFAONISX-RBUKOAKNSA-N 2 0 318.505 3.726 20 0 DHADRP CC1CCN([C@@H](C[NH2+]C[C@@H]2CCSC2)c2ccccc2)CC1 ZINC000486961994 1036490170 /nfs/dbraw/zinc/49/01/70/1036490170.db2.gz XKJUZOVWTGUNFO-HKUYNNGSSA-N 2 0 318.530 3.802 20 0 DHADRP C[C@@]1(C[NH3+])CCCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC001206550041 1036496015 /nfs/dbraw/zinc/49/60/15/1036496015.db2.gz UAZCCADPUZTVCH-HNNXBMFYSA-N 2 0 301.261 3.944 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCSCc2ccc(C)cc2)CC1 ZINC000122491700 1036500442 /nfs/dbraw/zinc/50/04/42/1036500442.db2.gz HERODCXTGDEEQK-UHFFFAOYSA-N 2 0 306.519 3.692 20 0 DHADRP CCCC[N@H+](CC[C@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544809 1036566157 /nfs/dbraw/zinc/56/61/57/1036566157.db2.gz IULLZAPZLNHLSC-INIZCTEOSA-N 2 0 310.526 3.824 20 0 DHADRP COc1cc(Cl)ccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001196790478 1036610754 /nfs/dbraw/zinc/61/07/54/1036610754.db2.gz USKFNLYMEHQTIS-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc4ccccc43)C[C@@H]2C1 ZINC001196789873 1036612164 /nfs/dbraw/zinc/61/21/64/1036612164.db2.gz PEICGVOJDHXDHU-WBVHZDCISA-N 2 0 314.860 3.877 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCN1c1cc[nH+]cc1 ZINC001183532603 1036623203 /nfs/dbraw/zinc/62/32/03/1036623203.db2.gz FGGQESWQYWWZTI-INIZCTEOSA-N 2 0 307.441 3.670 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH2+][C@H](C)c1ccsc1)c1ccsc1 ZINC000669937103 1036626283 /nfs/dbraw/zinc/62/62/83/1036626283.db2.gz HRYKJJVATNXURL-ZIAGYGMSSA-N 2 0 324.515 3.828 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495426142 1036630208 /nfs/dbraw/zinc/63/02/08/1036630208.db2.gz JUAMAWOCHFHKKI-IJEWVQPXSA-N 2 0 314.395 3.828 20 0 DHADRP CC[N@H+](CCNc1ccnc2ccsc21)CCC(F)(F)F ZINC000491831741 1036651399 /nfs/dbraw/zinc/65/13/99/1036651399.db2.gz KSWJOXDBVBQJLA-UHFFFAOYSA-N 2 0 317.380 3.983 20 0 DHADRP Fc1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1F ZINC000629548636 1036652184 /nfs/dbraw/zinc/65/21/84/1036652184.db2.gz HWCNAJIQIWDAEP-GDBMZVCRSA-N 2 0 308.416 3.534 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280731 1036655945 /nfs/dbraw/zinc/65/59/45/1036655945.db2.gz HHYBGVZXQXDLKW-HNNXBMFYSA-N 2 0 300.368 3.717 20 0 DHADRP C[C@H]([NH2+]C/C=C/c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487566656 1036686652 /nfs/dbraw/zinc/68/66/52/1036686652.db2.gz WQPCUSJSIDOXCZ-NLOMCHEHSA-N 2 0 321.468 3.595 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](CCc2cc(C)cc(C)c2)CC1 ZINC001183866033 1036699131 /nfs/dbraw/zinc/69/91/31/1036699131.db2.gz WWNHYIFJUKWBMG-UHFFFAOYSA-N 2 0 300.490 3.796 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134894 1036747973 /nfs/dbraw/zinc/74/79/73/1036747973.db2.gz JMEPLTJCZVPXTJ-AEFFLSMTSA-N 2 0 300.490 3.674 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC001197368837 1036766985 /nfs/dbraw/zinc/76/69/85/1036766985.db2.gz NEVTXPBIXXYGPL-KRWDZBQOSA-N 2 0 317.436 3.946 20 0 DHADRP c1ccc(C[C@H]2C[C@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001184338268 1036816536 /nfs/dbraw/zinc/81/65/36/1036816536.db2.gz MBOHFBYYFIXQDD-OALUTQOASA-N 2 0 321.468 3.519 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000668818988 1036834204 /nfs/dbraw/zinc/83/42/04/1036834204.db2.gz MFLWVILAAIQPPL-HOCLYGCPSA-N 2 0 322.443 3.780 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000236766440 1036977500 /nfs/dbraw/zinc/97/75/00/1036977500.db2.gz CNFMUVNWJXWUBV-UHFFFAOYSA-N 2 0 304.453 3.926 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CS1 ZINC000488408518 1036993490 /nfs/dbraw/zinc/99/34/90/1036993490.db2.gz PMLYRNFAEMOQFN-MOPGFXCFSA-N 2 0 318.530 3.902 20 0 DHADRP COCc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1 ZINC000237212470 1036998380 /nfs/dbraw/zinc/99/83/80/1036998380.db2.gz VYCAGMKKIYGHCT-UHFFFAOYSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000237551626 1037018950 /nfs/dbraw/zinc/01/89/50/1037018950.db2.gz MMLXAOGZMFLTPP-KRWDZBQOSA-N 2 0 312.457 3.695 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488446243 1037028244 /nfs/dbraw/zinc/02/82/44/1037028244.db2.gz JXHSTUCKGJBLAE-WMZOPIPTSA-N 2 0 310.551 3.903 20 0 DHADRP FC(F)(F)c1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000237878404 1037030531 /nfs/dbraw/zinc/03/05/31/1037030531.db2.gz GXIFXZQMIMJJCD-UHFFFAOYSA-N 2 0 312.379 3.669 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488451563 1037033850 /nfs/dbraw/zinc/03/38/50/1037033850.db2.gz VMIUNMYWDGNXDD-ZACQAIPSSA-N 2 0 312.567 3.864 20 0 DHADRP Cc1ccc(N(C)c2ccc(CN(C)[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001235341664 1037050702 /nfs/dbraw/zinc/05/07/02/1037050702.db2.gz CNWAVFLJVIXCSN-NRFANRHFSA-N 2 0 323.484 3.947 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CS1 ZINC000488587182 1037082984 /nfs/dbraw/zinc/08/29/84/1037082984.db2.gz YAORRBPWPRNPEG-CVYDXHPNSA-N 2 0 310.551 3.759 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000570249169 1037136410 /nfs/dbraw/zinc/13/64/10/1037136410.db2.gz VNPPPAAJNQLRLM-YZGWKJHDSA-N 2 0 300.490 3.817 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000488775734 1037137312 /nfs/dbraw/zinc/13/73/12/1037137312.db2.gz LZIZUVAZZYSMIH-FQEVSTJZSA-N 2 0 309.457 3.638 20 0 DHADRP Cc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1F ZINC000309848425 1037189266 /nfs/dbraw/zinc/18/92/66/1037189266.db2.gz WDOSKAKCYHDZEM-UHFFFAOYSA-N 2 0 300.421 3.746 20 0 DHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC001199171097 1037210313 /nfs/dbraw/zinc/21/03/13/1037210313.db2.gz UZZMIQXXCHVMJU-QZTJIDSGSA-N 2 0 323.569 3.597 20 0 DHADRP Cc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1F ZINC001199320134 1037244849 /nfs/dbraw/zinc/24/48/49/1037244849.db2.gz INHLXEBKLMNMNO-HZPDHXFCSA-N 2 0 306.469 3.982 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCC=CO2)CC1)CC1CC1 ZINC000774943174 1037249066 /nfs/dbraw/zinc/24/90/66/1037249066.db2.gz VWXJKMJCXKGAQG-IBGZPJMESA-N 2 0 306.494 3.513 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000194059036 1037353769 /nfs/dbraw/zinc/35/37/69/1037353769.db2.gz OJICFAUTFHDJCT-SFHVURJKSA-N 2 0 308.469 3.750 20 0 DHADRP C[NH+](CCC[N@@H+](C)CCc1cccs1)CCc1cccs1 ZINC000489328259 1037366383 /nfs/dbraw/zinc/36/63/83/1037366383.db2.gz NSNOLOSSSVAPIF-UHFFFAOYSA-N 2 0 322.543 3.849 20 0 DHADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001205901552 1037441484 /nfs/dbraw/zinc/44/14/84/1037441484.db2.gz DDZVBAKENWPZMQ-WCQYABFASA-N 2 0 318.408 3.858 20 0 DHADRP CC[C@H]1C[C@@H](C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC001200879340 1037455773 /nfs/dbraw/zinc/45/57/73/1037455773.db2.gz FXYJVGMTSOHCBG-RGVPCPSESA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]1C[C@H](C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC001200879341 1037456730 /nfs/dbraw/zinc/45/67/30/1037456730.db2.gz FXYJVGMTSOHCBG-UGXKVIGPSA-N 2 0 308.510 3.578 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000493888568 1037582390 /nfs/dbraw/zinc/58/23/90/1037582390.db2.gz OAXBYRLGNJXEIT-BJLQDIEVSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493883637 1037582908 /nfs/dbraw/zinc/58/29/08/1037582908.db2.gz QMXQBJLIOQQMOA-NCXUSEDFSA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)SCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398046535 1037587646 /nfs/dbraw/zinc/58/76/46/1037587646.db2.gz VZLZSQCSLHEJHD-AEFFLSMTSA-N 2 0 306.519 3.628 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000493925451 1037597602 /nfs/dbraw/zinc/59/76/02/1037597602.db2.gz LITGCZKSRPYZLW-HKUYNNGSSA-N 2 0 306.494 3.861 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000490081122 1037605294 /nfs/dbraw/zinc/60/52/94/1037605294.db2.gz RYDREAXLHUTJNS-UHFFFAOYSA-N 2 0 324.459 3.951 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000490126021 1037618436 /nfs/dbraw/zinc/61/84/36/1037618436.db2.gz LPGNFNKVIVKLCD-UHFFFAOYSA-N 2 0 310.432 3.561 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000490178270 1037630747 /nfs/dbraw/zinc/63/07/47/1037630747.db2.gz KWQWNUOUQVDGOD-DOTOQJQBSA-N 2 0 307.457 3.916 20 0 DHADRP Cc1nc2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2s1 ZINC000494105029 1037646336 /nfs/dbraw/zinc/64/63/36/1037646336.db2.gz GOHCDYVYXIEIKH-MQVJKMGUSA-N 2 0 315.486 3.710 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000776164311 1037649339 /nfs/dbraw/zinc/64/93/39/1037649339.db2.gz YVXPRFCSEFZKTK-FOIPXRHGSA-N 2 0 308.510 3.577 20 0 DHADRP COCC(C)(C)C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000494177752 1037661512 /nfs/dbraw/zinc/66/15/12/1037661512.db2.gz ZOXAUUVNIHGCDV-IEBWSBKVSA-N 2 0 318.505 3.549 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCc2scnc2C)CC1 ZINC000182792824 1037679978 /nfs/dbraw/zinc/67/99/78/1037679978.db2.gz SBBAQIPRPPQGIL-UHFFFAOYSA-N 2 0 323.550 3.828 20 0 DHADRP COc1ccccc1[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183184940 1037686762 /nfs/dbraw/zinc/68/67/62/1037686762.db2.gz ZGWBNZLWQZEKSZ-YESZJQIVSA-N 2 0 316.489 3.999 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183726728 1037703655 /nfs/dbraw/zinc/70/36/55/1037703655.db2.gz ZQLCTYGSVGJFFC-WUCCLRPBSA-N 2 0 306.416 3.818 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCCC3)c1 ZINC000490593260 1037747237 /nfs/dbraw/zinc/74/72/37/1037747237.db2.gz NATVCFGURVKWAH-UHFFFAOYSA-N 2 0 308.469 3.917 20 0 DHADRP CCC[C@@H](C)C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001201551840 1037756269 /nfs/dbraw/zinc/75/62/69/1037756269.db2.gz FPALJQULSKYUTJ-QGZVFWFLSA-N 2 0 300.490 3.945 20 0 DHADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201520542 1037763674 /nfs/dbraw/zinc/76/36/74/1037763674.db2.gz CRDFVPXUKSPQMB-DFQSSKMNSA-N 2 0 300.490 3.877 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC001201557921 1037778038 /nfs/dbraw/zinc/77/80/38/1037778038.db2.gz OSBQXOSYGIRXCR-QZTJIDSGSA-N 2 0 316.489 3.510 20 0 DHADRP COCCC1(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC000185226524 1037788046 /nfs/dbraw/zinc/78/80/46/1037788046.db2.gz HDKHTKFMSUCQBV-UHFFFAOYSA-N 2 0 318.505 3.825 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001201604419 1037804526 /nfs/dbraw/zinc/80/45/26/1037804526.db2.gz WJBLZSQDYSZFPZ-QFIPXVFZSA-N 2 0 320.480 3.827 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606206 1037804888 /nfs/dbraw/zinc/80/48/88/1037804888.db2.gz OYIPNUMKDIPPFE-YADHBBJMSA-N 2 0 320.480 3.683 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000037644642 1037835501 /nfs/dbraw/zinc/83/55/01/1037835501.db2.gz WJTSDFUVUGDDML-JSGCOSHPSA-N 2 0 309.523 3.741 20 0 DHADRP CCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201750897 1037875157 /nfs/dbraw/zinc/87/51/57/1037875157.db2.gz OYURWAYHZVLESD-MRXNPFEDSA-N 2 0 306.498 3.680 20 0 DHADRP COc1ccc(CNCC2(C[NH+](C)C)CCCC2)cc1Cl ZINC001201928449 1037926592 /nfs/dbraw/zinc/92/65/92/1037926592.db2.gz AIEZXYZZBUMNQG-UHFFFAOYSA-N 2 0 310.869 3.560 20 0 DHADRP CC(C)[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000125521965 1037941169 /nfs/dbraw/zinc/94/11/69/1037941169.db2.gz VYRJYYHICNPDPS-SFHVURJKSA-N 2 0 306.519 3.984 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125983891 1038010631 /nfs/dbraw/zinc/01/06/31/1038010631.db2.gz OYYQJCIPPATWIS-IRXDYDNUSA-N 2 0 304.478 3.856 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCC(C)C)cc2)CC1 ZINC000066152283 1038141799 /nfs/dbraw/zinc/14/17/99/1038141799.db2.gz YPFVOZUPTAUXDR-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP COc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168380428 1038191975 /nfs/dbraw/zinc/19/19/75/1038191975.db2.gz SKYOOUWPVJOMCR-FQEVSTJZSA-N 2 0 314.473 3.707 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000571937030 1038280093 /nfs/dbraw/zinc/28/00/93/1038280093.db2.gz KQGVHEOVKYJHBT-LJQANCHMSA-N 2 0 302.437 3.789 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC001190349554 1038303506 /nfs/dbraw/zinc/30/35/06/1038303506.db2.gz XRUAUVIIXZJKHG-UHFFFAOYSA-N 2 0 324.459 3.951 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CC=CC2)ccc1OC ZINC000775401682 1038358652 /nfs/dbraw/zinc/35/86/52/1038358652.db2.gz RDKCXPKBRBFGFB-HNNXBMFYSA-N 2 0 302.462 3.906 20 0 DHADRP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001191070940 1038430681 /nfs/dbraw/zinc/43/06/81/1038430681.db2.gz QWCCLBGYBFGHLG-ICSRJNTNSA-N 2 0 316.489 3.572 20 0 DHADRP C[C@H](COCc1ccccc1)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001191260065 1038470066 /nfs/dbraw/zinc/47/00/66/1038470066.db2.gz ZCHUFOFJALHWSK-ICSRJNTNSA-N 2 0 318.505 3.646 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000589641393 1038527602 /nfs/dbraw/zinc/52/76/02/1038527602.db2.gz LSFNJNPGSOLROM-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP CC[N@H+](CCOc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999420 1038561925 /nfs/dbraw/zinc/56/19/25/1038561925.db2.gz HCHYHZOPXYLAKB-UHFFFAOYSA-N 2 0 312.457 3.649 20 0 DHADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629653212 1038612314 /nfs/dbraw/zinc/61/23/14/1038612314.db2.gz CZDLDJGHXJVWKO-LXTVHRRPSA-N 2 0 306.416 3.662 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC001192261985 1038615315 /nfs/dbraw/zinc/61/53/15/1038615315.db2.gz OKCNLGHWDWADNH-MRXNPFEDSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399423 1038625686 /nfs/dbraw/zinc/62/56/86/1038625686.db2.gz AWGVNBJZDYNRSL-JXXFODFXSA-N 2 0 318.480 3.641 20 0 DHADRP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603076 1038678672 /nfs/dbraw/zinc/67/86/72/1038678672.db2.gz NPUCHFUUUDKGTI-BZSNNMDCSA-N 2 0 312.542 3.915 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1C[NH3+] ZINC001205604636 1038692971 /nfs/dbraw/zinc/69/29/71/1038692971.db2.gz VVJGCKPKIUEGFK-NWDGAFQWSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205604668 1038693935 /nfs/dbraw/zinc/69/39/35/1038693935.db2.gz VZEXHDTXZHHKRF-GXTWGEPZSA-N 2 0 315.288 3.843 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000573167454 1038828910 /nfs/dbraw/zinc/82/89/10/1038828910.db2.gz IGKYDSRDPYNEDZ-BLMTVLTRSA-N 2 0 300.490 3.812 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1CC[NH+](C)CC1 ZINC000573254518 1038887977 /nfs/dbraw/zinc/88/79/77/1038887977.db2.gz KKYDRVRAPAADRH-KAMYIIQDSA-N 2 0 324.415 3.623 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413998 1038912807 /nfs/dbraw/zinc/91/28/07/1038912807.db2.gz BKXHDKOVBZFIQO-HXUWFJFHSA-N 2 0 318.480 3.785 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419580 1039001977 /nfs/dbraw/zinc/00/19/77/1039001977.db2.gz LWGPYWPVHSLXCD-BFHKSVSOSA-N 2 0 306.519 3.950 20 0 DHADRP CC(C)(C)OCCC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694708 1039128650 /nfs/dbraw/zinc/12/86/50/1039128650.db2.gz DSIDCTXAPMOPSB-MRXNPFEDSA-N 2 0 319.493 3.604 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000592463546 1039211209 /nfs/dbraw/zinc/21/12/09/1039211209.db2.gz YZAWBLBTZWPCHH-OAQYLSRUSA-N 2 0 324.468 3.713 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000574726891 1039771214 /nfs/dbraw/zinc/77/12/14/1039771214.db2.gz SPVBUHAUFVJSJB-ICSRJNTNSA-N 2 0 316.489 3.638 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168405669 1039913104 /nfs/dbraw/zinc/91/31/04/1039913104.db2.gz TVLAFNCIQNBBKV-KXBFYZLASA-N 2 0 304.453 3.537 20 0 DHADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CSCCF)c1 ZINC000595010534 1040018904 /nfs/dbraw/zinc/01/89/04/1040018904.db2.gz XRRBLQZOTZSXTN-HNNXBMFYSA-N 2 0 312.498 3.708 20 0 DHADRP c1ccc2cc(CC[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000606903219 1040033402 /nfs/dbraw/zinc/03/34/02/1040033402.db2.gz ZPXZKAGHIWTKFV-LJQANCHMSA-N 2 0 308.469 3.800 20 0 DHADRP CC(C)[C@H](C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000606915261 1040037824 /nfs/dbraw/zinc/03/78/24/1040037824.db2.gz XDPCLNOXVAWHLA-QGZVFWFLSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000574887043 1040057235 /nfs/dbraw/zinc/05/72/35/1040057235.db2.gz HVWDUPYTPMNACS-LALPHHSUSA-N 2 0 300.368 3.621 20 0 DHADRP CCSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000595100319 1040063246 /nfs/dbraw/zinc/06/32/46/1040063246.db2.gz RLDHORYWKXCRGT-AEFFLSMTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@]1(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCCS1 ZINC000397636206 1040398845 /nfs/dbraw/zinc/39/88/45/1040398845.db2.gz QBHQMJLJDZKBNF-LJQANCHMSA-N 2 0 318.530 3.774 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000534347212 1040814032 /nfs/dbraw/zinc/81/40/32/1040814032.db2.gz AZAACRKHXAFDRR-QAPCUYQASA-N 2 0 304.478 3.955 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC000019905746 182163080 /nfs/dbraw/zinc/16/30/80/182163080.db2.gz NPOKKOJSPVJZPX-GFCCVEGCSA-N 2 0 313.283 3.688 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000019985533 182173844 /nfs/dbraw/zinc/17/38/44/182173844.db2.gz KJABWMSOFKXOKG-UHFFFAOYSA-N 2 0 315.288 3.998 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626150 184179331 /nfs/dbraw/zinc/17/93/31/184179331.db2.gz YHERZZPBAXHARD-LALPHHSUSA-N 2 0 300.368 3.524 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000272309275 130018605 /nfs/dbraw/zinc/01/86/05/130018605.db2.gz FQTLEYBTVKICBB-KXBFYZLASA-N 2 0 302.437 3.693 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCCSC2)C3)cc1 ZINC000272409334 130027729 /nfs/dbraw/zinc/02/77/29/130027729.db2.gz KXXOJEKKSSEGMJ-OKYOBFRVSA-N 2 0 316.514 3.667 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000279741887 130760829 /nfs/dbraw/zinc/76/08/29/130760829.db2.gz PADUPXHRCXQKPJ-UZLBHIALSA-N 2 0 312.457 3.614 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000284998231 131130265 /nfs/dbraw/zinc/13/02/65/131130265.db2.gz GTMFDADJWKBCBH-OXHPOLQJSA-N 2 0 316.489 3.587 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197759 131146716 /nfs/dbraw/zinc/14/67/16/131146716.db2.gz WKWTVEBHYOMVJD-CRAIPNDOSA-N 2 0 313.445 3.504 20 0 DHADRP FC(F)(F)c1cccc([C@H]2CCC[N@H+](CCn3ccnc3)C2)c1 ZINC000285513670 131175496 /nfs/dbraw/zinc/17/54/96/131175496.db2.gz GECRJWNKJRQAMH-HNNXBMFYSA-N 2 0 323.362 3.782 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000286292718 131228831 /nfs/dbraw/zinc/22/88/31/131228831.db2.gz WHBSOKYWJWPDRB-YLJYHZDGSA-N 2 0 316.489 3.537 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC000340476257 131854015 /nfs/dbraw/zinc/85/40/15/131854015.db2.gz HQXQFUVAQZDHQE-IBGZPJMESA-N 2 0 302.462 3.538 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(F)c1 ZINC000340595980 132051525 /nfs/dbraw/zinc/05/15/25/132051525.db2.gz GZDPXODXWXXGLK-UHFFFAOYSA-N 2 0 300.421 3.909 20 0 DHADRP c1cc2c(o1)CCC[C@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000121722078 132157867 /nfs/dbraw/zinc/15/78/67/132157867.db2.gz GJMPEZCULAODKK-HXUWFJFHSA-N 2 0 324.468 3.954 20 0 DHADRP c1cn(CCC[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)cn1 ZINC000343317452 335072357 /nfs/dbraw/zinc/07/23/57/335072357.db2.gz VLUYUDIHUQYBLX-HXUWFJFHSA-N 2 0 309.457 3.643 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)C[NH+](C)C ZINC000391742474 335087451 /nfs/dbraw/zinc/08/74/51/335087451.db2.gz SJVDPAWZJVZIJH-MSOLQXFVSA-N 2 0 310.485 3.994 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000570708641 332804329 /nfs/dbraw/zinc/80/43/29/332804329.db2.gz KBWSNBZQQHEPBI-GOSISDBHSA-N 2 0 317.864 3.608 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000570912767 332840543 /nfs/dbraw/zinc/84/05/43/332840543.db2.gz XOHSJKXUIKEYKA-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000174001981 332841650 /nfs/dbraw/zinc/84/16/50/332841650.db2.gz IVTIZQGVRXLRHY-QGZVFWFLSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000556872996 331745787 /nfs/dbraw/zinc/74/57/87/331745787.db2.gz SXAFTJJHCRIBJL-COXVUDFISA-N 2 0 310.432 3.748 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000565638660 331751692 /nfs/dbraw/zinc/75/16/92/331751692.db2.gz QAHMNPNQQKVBRF-NSISKUIASA-N 2 0 318.505 3.817 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000566088481 331957660 /nfs/dbraw/zinc/95/76/60/331957660.db2.gz TWSHXEDOFZCTPE-ZDUSSCGKSA-N 2 0 302.384 3.614 20 0 DHADRP [NH3+][C@@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ccccc21 ZINC000261764033 332001359 /nfs/dbraw/zinc/00/13/59/332001359.db2.gz WAJHJCATJGPIFW-NJYVYQBISA-N 2 0 321.468 3.558 20 0 DHADRP CC(C)COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000518272832 332004396 /nfs/dbraw/zinc/00/43/96/332004396.db2.gz XFMDLTSWWMFHFL-KRWDZBQOSA-N 2 0 304.478 3.543 20 0 DHADRP COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000518278878 332005872 /nfs/dbraw/zinc/00/58/72/332005872.db2.gz KAOHXAYPYYXEKH-OAQYLSRUSA-N 2 0 324.468 3.554 20 0 DHADRP C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000584251252 332014008 /nfs/dbraw/zinc/01/40/08/332014008.db2.gz FYNPDZIJZZQLNT-ZWKOTPCHSA-N 2 0 321.553 3.636 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000569495470 332104751 /nfs/dbraw/zinc/10/47/51/332104751.db2.gz LEMBMKGBFYOSIF-UHFFFAOYSA-N 2 0 314.395 3.972 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000566245011 332276699 /nfs/dbraw/zinc/27/66/99/332276699.db2.gz HNPDPONADIWHQE-QGZVFWFLSA-N 2 0 320.383 3.988 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000559767116 332280403 /nfs/dbraw/zinc/28/04/03/332280403.db2.gz PYGGSYDYQKNCNZ-CABCVRRESA-N 2 0 300.421 3.971 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)C[C@H]1c1ccccc1 ZINC000559855865 332285740 /nfs/dbraw/zinc/28/57/40/332285740.db2.gz PWXBGKRJNVMHPM-HBFSDRIKSA-N 2 0 322.452 3.588 20 0 DHADRP CN1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000559855910 332285778 /nfs/dbraw/zinc/28/57/78/332285778.db2.gz RFOUGADOKIJXGF-GRAKBVBRSA-N 2 0 312.379 3.752 20 0 DHADRP CCOC1(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000559892774 332290018 /nfs/dbraw/zinc/29/00/18/332290018.db2.gz ZDRFRKDZTMNPGE-RTBURBONSA-N 2 0 316.489 3.761 20 0 DHADRP C[C@@H]1C[C@H](N(C)Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000529527901 335099911 /nfs/dbraw/zinc/09/99/11/335099911.db2.gz GNNYKIRBQHYRJF-ZYHUDNBSSA-N 2 0 306.397 3.681 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000560144930 332314533 /nfs/dbraw/zinc/31/45/33/332314533.db2.gz CTNFODVMFPWTSA-MUYFXNHWSA-N 2 0 308.510 3.577 20 0 DHADRP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449499627 332314958 /nfs/dbraw/zinc/31/49/58/332314958.db2.gz UBHXMQXKCJNOSW-CQSZACIVSA-N 2 0 300.437 3.809 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)[C@H]2CCC[C@@H]21 ZINC000560524618 332350492 /nfs/dbraw/zinc/35/04/92/332350492.db2.gz ILAXGHPRSCMYOS-SQNIBIBYSA-N 2 0 318.892 3.834 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000560536348 332354520 /nfs/dbraw/zinc/35/45/20/332354520.db2.gz BWTDSXNEJUENSI-NNGSBXSVSA-N 2 0 322.443 3.892 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000387555169 332358823 /nfs/dbraw/zinc/35/88/23/332358823.db2.gz RJMGXXHVUIXGNC-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000387555168 332358881 /nfs/dbraw/zinc/35/88/81/332358881.db2.gz RJMGXXHVUIXGNC-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCCCOc3ccccc3)C2)C1 ZINC000560594356 332366782 /nfs/dbraw/zinc/36/67/82/332366782.db2.gz HAXBQDPBGHLTKP-FQEVSTJZSA-N 2 0 316.489 3.653 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCC(F)(F)F)CN(Cc2ccccc2)C1 ZINC000468555729 335110859 /nfs/dbraw/zinc/11/08/59/335110859.db2.gz RRPPIIJAAPZCNW-ZBFHGGJFSA-N 2 0 314.395 3.829 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000562068305 332541323 /nfs/dbraw/zinc/54/13/23/332541323.db2.gz RPXYYKAWMUKWGK-UHFFFAOYSA-N 2 0 320.424 3.979 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000427954948 332571355 /nfs/dbraw/zinc/57/13/55/332571355.db2.gz CNCQTLSQLYOSLU-KBAYOESNSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000427954946 332571364 /nfs/dbraw/zinc/57/13/64/332571364.db2.gz CNCQTLSQLYOSLU-BPQIPLTHSA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)C(C)C)cc1 ZINC000514084216 332986752 /nfs/dbraw/zinc/98/67/52/332986752.db2.gz OTUWZGMJGSEPSS-FAFZWHIHSA-N 2 0 304.478 3.855 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000188124800 333037726 /nfs/dbraw/zinc/03/77/26/333037726.db2.gz YMXASEKHQUIXEX-HOCLYGCPSA-N 2 0 320.502 3.909 20 0 DHADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000182498643 335120197 /nfs/dbraw/zinc/12/01/97/335120197.db2.gz MEDUXWOXJCJFRE-LJQANCHMSA-N 2 0 316.489 3.578 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580312389 333097856 /nfs/dbraw/zinc/09/78/56/333097856.db2.gz LWUWJPVHOJSZLJ-LBPRGKRZSA-N 2 0 303.475 3.884 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000068634078 333129767 /nfs/dbraw/zinc/12/97/67/333129767.db2.gz KOBFOVVJGISCSN-WLYUNCDWSA-N 2 0 306.416 3.962 20 0 DHADRP CC1CC[NH+](CCC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000068634221 333130617 /nfs/dbraw/zinc/13/06/17/333130617.db2.gz ALTQELRBYRYJBX-UHFFFAOYSA-N 2 0 306.416 3.819 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000178447244 333138858 /nfs/dbraw/zinc/13/88/58/333138858.db2.gz BKQAPKUMDXTXIY-KRWDZBQOSA-N 2 0 304.478 3.577 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)C1 ZINC000572662878 333169547 /nfs/dbraw/zinc/16/95/47/333169547.db2.gz YMRSWQIRRWXTBG-WSTZPKSXSA-N 2 0 310.441 3.666 20 0 DHADRP COc1ccc2cc(C[NH2+]C3CCC([NH+](C)C)CC3)ccc2c1 ZINC000514090248 333310974 /nfs/dbraw/zinc/31/09/74/333310974.db2.gz UBMDRANAEXXILX-UHFFFAOYSA-N 2 0 312.457 3.811 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc3ccccc23)C[C@@H]1C ZINC000531378886 333347309 /nfs/dbraw/zinc/34/73/09/333347309.db2.gz LTZVLLHCHRFQBM-FUHWJXTLSA-N 2 0 311.473 3.848 20 0 DHADRP Cc1ncccc1C[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000184534798 333361781 /nfs/dbraw/zinc/36/17/81/333361781.db2.gz FQKITRHRKNTUJA-FQEVSTJZSA-N 2 0 311.473 3.636 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1Br ZINC000563154262 333398061 /nfs/dbraw/zinc/39/80/61/333398061.db2.gz VBVBFXBAOQJZSB-GFCCVEGCSA-N 2 0 319.246 3.759 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000125355734 333508332 /nfs/dbraw/zinc/50/83/32/333508332.db2.gz UAHVNIPHZNFCDH-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411422023 333669890 /nfs/dbraw/zinc/66/98/90/333669890.db2.gz IZGYQIPUZMOBLO-RBUKOAKNSA-N 2 0 304.453 3.735 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000411470073 333677914 /nfs/dbraw/zinc/67/79/14/333677914.db2.gz HZHULFMMNAQKAP-QGZVFWFLSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411716815 333703347 /nfs/dbraw/zinc/70/33/47/333703347.db2.gz HHBCOGGIAYQKQH-CRAIPNDOSA-N 2 0 304.503 3.514 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000414315701 333938323 /nfs/dbraw/zinc/93/83/23/333938323.db2.gz SIQPOIXSRURHCR-USWSCHJFSA-N 2 0 322.537 3.824 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1C ZINC000273025912 334042141 /nfs/dbraw/zinc/04/21/41/334042141.db2.gz DLBXEOZUGVAFFY-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414647709 334054308 /nfs/dbraw/zinc/05/43/08/334054308.db2.gz ABOTUASJWCRECT-AWEZNQCLSA-N 2 0 318.367 3.538 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414659209 334059129 /nfs/dbraw/zinc/05/91/29/334059129.db2.gz SIXNWWYQCXDYBA-UONOGXRCSA-N 2 0 314.395 3.740 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657632 334059594 /nfs/dbraw/zinc/05/95/94/334059594.db2.gz HVYOIIHOHFBGEV-GCJKJVERSA-N 2 0 322.496 3.757 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000414662866 334060917 /nfs/dbraw/zinc/06/09/17/334060917.db2.gz RLFAFYPKNOVFNA-OXJNMPFZSA-N 2 0 324.468 3.840 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000414666289 334062071 /nfs/dbraw/zinc/06/20/71/334062071.db2.gz GDRXAEYYXGPDOF-QWHCGFSZSA-N 2 0 314.395 3.868 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000414670468 334064797 /nfs/dbraw/zinc/06/47/97/334064797.db2.gz LBGMXGOTBPHVTH-INIZCTEOSA-N 2 0 324.468 3.921 20 0 DHADRP CC1CCC(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CC1 ZINC000414720197 334073997 /nfs/dbraw/zinc/07/39/97/334073997.db2.gz XNAYKURTDOPEBI-QLOJAFMTSA-N 2 0 315.505 3.852 20 0 DHADRP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCC[C@@H]1C ZINC000414729264 334074772 /nfs/dbraw/zinc/07/47/72/334074772.db2.gz QNPUJMZZPPGLIA-USXIJHARSA-N 2 0 321.534 3.689 20 0 DHADRP C[C@@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414731106 334075304 /nfs/dbraw/zinc/07/53/04/334075304.db2.gz FDXUGRVMASILEK-BBRMVZONSA-N 2 0 314.395 3.883 20 0 DHADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCc2cccnc21 ZINC000414756418 334085987 /nfs/dbraw/zinc/08/59/87/334085987.db2.gz QSTFYMCIKUEMLB-JFIYKMOQSA-N 2 0 301.478 3.559 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)CC[NH2+]1 ZINC000414760103 334086831 /nfs/dbraw/zinc/08/68/31/334086831.db2.gz XUBJLWBXMXAODJ-HLLBOEOZSA-N 2 0 313.445 3.743 20 0 DHADRP Clc1scc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1Cl ZINC000414777887 334092446 /nfs/dbraw/zinc/09/24/46/334092446.db2.gz IOHUUTSYZOBBDG-WDEREUQCSA-N 2 0 319.301 3.876 20 0 DHADRP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414781193 334093584 /nfs/dbraw/zinc/09/35/84/334093584.db2.gz MRKMJCWPXVEMCI-HUUCEWRRSA-N 2 0 312.379 3.527 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ccccc12 ZINC000414786683 334096426 /nfs/dbraw/zinc/09/64/26/334096426.db2.gz USQFGLCMTVUELD-IRXDYDNUSA-N 2 0 324.468 3.670 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786724 334096459 /nfs/dbraw/zinc/09/64/59/334096459.db2.gz UTIVJBVCGKMVNN-DLBZAZTESA-N 2 0 304.503 3.620 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000414809888 334104774 /nfs/dbraw/zinc/10/47/74/334104774.db2.gz UUAQQIJQZBRVLJ-ZXQWHALDSA-N 2 0 316.489 3.829 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000414811261 334105869 /nfs/dbraw/zinc/10/58/69/334105869.db2.gz PNXBMJDZFXSASC-GFCCVEGCSA-N 2 0 319.246 3.759 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CCc2ccccc2F)cc1 ZINC000414812047 334106036 /nfs/dbraw/zinc/10/60/36/334106036.db2.gz KFXJKQNUZXBPBD-HUUCEWRRSA-N 2 0 300.421 3.956 20 0 DHADRP C(C[NH2+]C1CCCCCC1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414816684 334107363 /nfs/dbraw/zinc/10/73/63/334107363.db2.gz XTBDNOPFOMTLOG-UHFFFAOYSA-N 2 0 308.510 3.628 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414822469 334108323 /nfs/dbraw/zinc/10/83/23/334108323.db2.gz ADPQTZOMGPBZLI-YLJYHZDGSA-N 2 0 324.468 3.743 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414827962 334109987 /nfs/dbraw/zinc/10/99/87/334109987.db2.gz LHTFXPBACVISNX-VDGAXYAQSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414848086 334120350 /nfs/dbraw/zinc/12/03/50/334120350.db2.gz VSSUAIXQHBEUGJ-CYBMUJFWSA-N 2 0 314.395 3.888 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414848305 334120780 /nfs/dbraw/zinc/12/07/80/334120780.db2.gz GLCBKELVNCZNQK-QFBILLFUSA-N 2 0 324.468 3.840 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000281373745 334125693 /nfs/dbraw/zinc/12/56/93/334125693.db2.gz WTGHCPNJLZVKTD-DLBZAZTESA-N 2 0 303.494 3.594 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414854443 334127965 /nfs/dbraw/zinc/12/79/65/334127965.db2.gz LVHCUCZQWJJKRO-SJLPKXTDSA-N 2 0 304.478 3.589 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862180 334133040 /nfs/dbraw/zinc/13/30/40/334133040.db2.gz VCSWEQIYUPAHQD-GJZGRUSLSA-N 2 0 300.368 3.541 20 0 DHADRP CC[NH2+]Cc1cccc(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000414873785 334144139 /nfs/dbraw/zinc/14/41/39/334144139.db2.gz XSEUIBAXXWSGQR-WOJBJXKFSA-N 2 0 309.457 3.701 20 0 DHADRP Fc1ccccc1CCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000366836005 335178958 /nfs/dbraw/zinc/17/89/58/335178958.db2.gz CTOMJJABAZVUOM-UHFFFAOYSA-N 2 0 304.453 3.755 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414901547 334165478 /nfs/dbraw/zinc/16/54/78/334165478.db2.gz GDJNWIJWEHZANN-XJKSGUPXSA-N 2 0 314.395 3.616 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414908629 334171529 /nfs/dbraw/zinc/17/15/29/334171529.db2.gz QKQVAIIOKHZPCV-GJZGRUSLSA-N 2 0 300.368 3.670 20 0 DHADRP CC(C)O[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000292805368 334192606 /nfs/dbraw/zinc/19/26/06/334192606.db2.gz LAZNJKVNYHBTPU-RBUKOAKNSA-N 2 0 304.478 3.569 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000414932176 334195267 /nfs/dbraw/zinc/19/52/67/334195267.db2.gz VMQUTVQFHLJLDD-NEPJUHHUSA-N 2 0 301.261 3.786 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415083990 334272325 /nfs/dbraw/zinc/27/23/25/334272325.db2.gz ONHJQMFJHDTJRT-VXGBXAGGSA-N 2 0 301.261 3.829 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414946369 334205306 /nfs/dbraw/zinc/20/53/06/334205306.db2.gz TWQSXPMKJLRCMQ-IAQYHMDHSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414954314 334207914 /nfs/dbraw/zinc/20/79/14/334207914.db2.gz SNSQKZZEGITUTL-BVYCBKJFSA-N 2 0 322.496 3.961 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC[NH2+]1 ZINC000414955764 334208255 /nfs/dbraw/zinc/20/82/55/334208255.db2.gz UOGRZDLIKDXPKY-IUODEOHRSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414957184 334208721 /nfs/dbraw/zinc/20/87/21/334208721.db2.gz NWSWUUJOYCSYLA-WBMJQRKESA-N 2 0 304.434 3.642 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000187468866 334209188 /nfs/dbraw/zinc/20/91/88/334209188.db2.gz LSVVMIVIUDMGGW-QUCCMNQESA-N 2 0 316.489 3.652 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)s2)cc1 ZINC000414959014 334211108 /nfs/dbraw/zinc/21/11/08/334211108.db2.gz WWHKZSLKTOYEPT-GOEBONIOSA-N 2 0 300.471 3.954 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000340474999 334211953 /nfs/dbraw/zinc/21/19/53/334211953.db2.gz VCBZQNXQWSNZHM-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP COc1ccccc1SC[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415082126 334272897 /nfs/dbraw/zinc/27/28/97/334272897.db2.gz NVPQWTQCNAQVCA-FHERZECASA-N 2 0 322.518 3.531 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969167 334217985 /nfs/dbraw/zinc/21/79/85/334217985.db2.gz SISKHRAQMKWUSZ-HNNXBMFYSA-N 2 0 300.368 3.636 20 0 DHADRP Cc1cc(N)cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000414972018 334219822 /nfs/dbraw/zinc/21/98/22/334219822.db2.gz XFMNRMXWPXNNAH-JXFKEZNVSA-N 2 0 315.505 3.710 20 0 DHADRP Fc1ccc(-c2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000414976821 334222819 /nfs/dbraw/zinc/22/28/19/334222819.db2.gz QKEJFFIOJXDUKE-OAHLLOKOSA-N 2 0 319.449 3.571 20 0 DHADRP FC(F)Oc1ccc(Cl)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414983304 334227041 /nfs/dbraw/zinc/22/70/41/334227041.db2.gz ZJIBPNLHCBJVFZ-CYBMUJFWSA-N 2 0 318.795 3.563 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415085490 334274126 /nfs/dbraw/zinc/27/41/26/334274126.db2.gz IHQOCXNHGDTHHI-CJNGLKHVSA-N 2 0 314.395 3.931 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000414995107 334233979 /nfs/dbraw/zinc/23/39/79/334233979.db2.gz NBNGWTMMEVMKBK-NVXWUHKLSA-N 2 0 302.462 3.615 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000414995957 334234777 /nfs/dbraw/zinc/23/47/77/334234777.db2.gz GACWBDGDTQOWKB-PBHICJAKSA-N 2 0 322.880 3.736 20 0 DHADRP C[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000296830044 334237113 /nfs/dbraw/zinc/23/71/13/334237113.db2.gz NSKAHOWSVPMXJY-ZDUSSCGKSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)s2)cc1 ZINC000414999321 334238000 /nfs/dbraw/zinc/23/80/00/334238000.db2.gz RRARCTKCTDJHQZ-GOEBONIOSA-N 2 0 315.486 3.726 20 0 DHADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415010714 334257209 /nfs/dbraw/zinc/25/72/09/334257209.db2.gz GPNZJYBKEZKRBA-HOTGVXAUSA-N 2 0 319.493 3.634 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000415014866 334258685 /nfs/dbraw/zinc/25/86/85/334258685.db2.gz NHMGCNVOWRCJHS-JTQLQIEISA-N 2 0 306.784 3.549 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000415018461 334258971 /nfs/dbraw/zinc/25/89/71/334258971.db2.gz CCRGRKVWPIYNMK-MGCOHNPYSA-N 2 0 307.290 3.910 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000415018422 334259097 /nfs/dbraw/zinc/25/90/97/334259097.db2.gz BUSQMPQATIIGOQ-BRWVUGGUSA-N 2 0 310.432 3.608 20 0 DHADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000415052449 334259119 /nfs/dbraw/zinc/25/91/19/334259119.db2.gz LHBNMQTWWBHTBN-FPOVZHCZSA-N 2 0 324.468 3.622 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415019802 334259334 /nfs/dbraw/zinc/25/93/34/334259334.db2.gz WKLZCRNBAYLLQG-INIZCTEOSA-N 2 0 312.457 3.969 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000415026066 334259918 /nfs/dbraw/zinc/25/99/18/334259918.db2.gz RUVQWUIUVLMRIF-LNMJFAINSA-N 2 0 304.453 3.817 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415031106 334260272 /nfs/dbraw/zinc/26/02/72/334260272.db2.gz GJKFRQUPCJKLSE-LPHOPBHVSA-N 2 0 324.468 3.888 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000415031897 334260290 /nfs/dbraw/zinc/26/02/90/334260290.db2.gz HJXIITVVYJZOFH-JSGCOSHPSA-N 2 0 320.383 3.658 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415032829 334260304 /nfs/dbraw/zinc/26/03/04/334260304.db2.gz IKFOZFAWAGNQFV-JOYOIKCWSA-N 2 0 306.759 3.576 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000415031895 334260324 /nfs/dbraw/zinc/26/03/24/334260324.db2.gz HJXIITVVYJZOFH-GXTWGEPZSA-N 2 0 320.383 3.658 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415032825 334260371 /nfs/dbraw/zinc/26/03/71/334260371.db2.gz IKFOZFAWAGNQFV-BXKDBHETSA-N 2 0 306.759 3.576 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415056982 334261724 /nfs/dbraw/zinc/26/17/24/334261724.db2.gz STSQCKGTLXKORJ-NHCUHLMSSA-N 2 0 321.468 3.713 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2cccnc12 ZINC000415058696 334262092 /nfs/dbraw/zinc/26/20/92/334262092.db2.gz WAQSABXFNQTXTA-OALUTQOASA-N 2 0 309.457 3.507 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000415070770 334264533 /nfs/dbraw/zinc/26/45/33/334264533.db2.gz YSHCYEFTSUDXNI-GFCCVEGCSA-N 2 0 308.372 3.658 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000415076348 334268670 /nfs/dbraw/zinc/26/86/70/334268670.db2.gz AVMYZEIXTNCROD-UHFFFAOYSA-N 2 0 302.462 3.615 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000415076335 334268809 /nfs/dbraw/zinc/26/88/09/334268809.db2.gz AUTRBEMTWSLJPI-CBGDNZLLSA-N 2 0 324.468 3.762 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000415076459 334269057 /nfs/dbraw/zinc/26/90/57/334269057.db2.gz CJHMKBCWEVDGCA-ZJPYXAASSA-N 2 0 310.526 3.728 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000415079124 334270327 /nfs/dbraw/zinc/27/03/27/334270327.db2.gz HPPHABUPQDAUJC-GBESFXJTSA-N 2 0 300.490 3.766 20 0 DHADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415088899 334279759 /nfs/dbraw/zinc/27/97/59/334279759.db2.gz YESCDCLDNNSMQO-GUDVDZBRSA-N 2 0 316.489 3.583 20 0 DHADRP c1ccc(C[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000415113688 334282218 /nfs/dbraw/zinc/28/22/18/334282218.db2.gz FDZNYHSOASPABU-SFTDATJTSA-N 2 0 308.469 3.745 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000415125602 334283446 /nfs/dbraw/zinc/28/34/46/334283446.db2.gz OMOINEQMMFCOII-TZIWHRDSSA-N 2 0 324.468 3.558 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415115484 334283527 /nfs/dbraw/zinc/28/35/27/334283527.db2.gz YLUGCBLTKCFPRC-FFGOWVMKSA-N 2 0 316.489 3.665 20 0 DHADRP CCOc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000415121689 334284388 /nfs/dbraw/zinc/28/43/88/334284388.db2.gz ZEZYLJUEWYMQQS-NRFANRHFSA-N 2 0 324.468 3.764 20 0 DHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000415134827 334284553 /nfs/dbraw/zinc/28/45/53/334284553.db2.gz WFTIXBDLUVDNIF-SFTDATJTSA-N 2 0 324.468 3.558 20 0 DHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000415129309 334285364 /nfs/dbraw/zinc/28/53/64/334285364.db2.gz UIOLKIFDMFYYIB-LEWJYISDSA-N 2 0 324.468 3.558 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000049553524 334350032 /nfs/dbraw/zinc/35/00/32/334350032.db2.gz MXSGBQKARIAXGG-VXGBXAGGSA-N 2 0 304.356 3.576 20 0 DHADRP CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000531979698 334351271 /nfs/dbraw/zinc/35/12/71/334351271.db2.gz FGNHEQHBERIRIW-PXNSSMCTSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CC1(C)C ZINC000341252775 334425435 /nfs/dbraw/zinc/42/54/35/334425435.db2.gz FSLJETNSPAOWEB-DNVCBOLYSA-N 2 0 316.489 3.684 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000341700048 334471465 /nfs/dbraw/zinc/47/14/65/334471465.db2.gz SPVPDNHTRLBTHC-LJQANCHMSA-N 2 0 304.453 3.915 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812181 334579449 /nfs/dbraw/zinc/57/94/49/334579449.db2.gz YZZCWXQCIBHCFE-JXFKEZNVSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000425944012 334787858 /nfs/dbraw/zinc/78/78/58/334787858.db2.gz UYLGNVCEAPSZHA-KBPBESRZSA-N 2 0 316.411 3.814 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)CC(C)C ZINC000417385961 334788453 /nfs/dbraw/zinc/78/84/53/334788453.db2.gz YGUXKJSTYZMXCG-NEWSRXKRSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425955493 334820562 /nfs/dbraw/zinc/82/05/62/334820562.db2.gz RWSFZPGKJRFOOP-CZUORRHYSA-N 2 0 300.437 3.664 20 0 DHADRP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cn1 ZINC000343643252 335184253 /nfs/dbraw/zinc/18/42/53/335184253.db2.gz USUXNBKUEZMZIE-KCUHQSDYSA-N 2 0 316.489 3.584 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000344089559 335216973 /nfs/dbraw/zinc/21/69/73/335216973.db2.gz DCHZEEKTDXZLDW-RBUKOAKNSA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000344157252 335222835 /nfs/dbraw/zinc/22/28/35/335222835.db2.gz ZZBVKNLAXZXQBW-OKZBNKHCSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000344202490 335224877 /nfs/dbraw/zinc/22/48/77/335224877.db2.gz ZOPJQQHQIKUKFH-XYJFISCASA-N 2 0 310.445 3.634 20 0 DHADRP COC1CCC(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000344607719 335263530 /nfs/dbraw/zinc/26/35/30/335263530.db2.gz XBQDZWDZEGTWHB-AILXTGBUSA-N 2 0 316.489 3.617 20 0 DHADRP C([C@@H]1CCC2(CCCCC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000190973180 335355424 /nfs/dbraw/zinc/35/54/24/335355424.db2.gz BZUJMCBVDDJUOL-OALUTQOASA-N 2 0 320.521 3.819 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000346184282 335378936 /nfs/dbraw/zinc/37/89/36/335378936.db2.gz SZPSYCHSEXCJIE-UHFFFAOYSA-N 2 0 306.413 3.516 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000346185801 335378942 /nfs/dbraw/zinc/37/89/42/335378942.db2.gz SIRLJHLRYJZVMD-QFBILLFUSA-N 2 0 310.445 3.730 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c3ncccc3c2)C[C@H]1C ZINC000346161184 335383678 /nfs/dbraw/zinc/38/36/78/335383678.db2.gz DUXRQDSMBLSQGH-APWZRJJASA-N 2 0 311.473 3.848 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccccc1)C(C)C ZINC000346165732 335384474 /nfs/dbraw/zinc/38/44/74/335384474.db2.gz DZTKVJVDKOASCR-UHFFFAOYSA-N 2 0 320.440 3.986 20 0 DHADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346221075 335385519 /nfs/dbraw/zinc/38/55/19/335385519.db2.gz NROFTQBLYBOTLV-DNVCBOLYSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000346197307 335389158 /nfs/dbraw/zinc/38/91/58/335389158.db2.gz FENAHBUNQFYPMZ-UHFFFAOYSA-N 2 0 318.424 3.740 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCCO1 ZINC000346486862 335412156 /nfs/dbraw/zinc/41/21/56/335412156.db2.gz OPUYTVZPEUDLQC-XLIONFOSSA-N 2 0 316.489 3.720 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000346689142 335429617 /nfs/dbraw/zinc/42/96/17/335429617.db2.gz PJFRTXYHBPYAJH-UHFFFAOYSA-N 2 0 320.383 3.612 20 0 DHADRP C[C@@H]([NH2+]CC1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000532188637 335912720 /nfs/dbraw/zinc/91/27/20/335912720.db2.gz VCULVEDSZPMOOB-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000192437403 336032433 /nfs/dbraw/zinc/03/24/33/336032433.db2.gz HQZZFBMUTOBLBA-AEFFLSMTSA-N 2 0 318.505 3.653 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000583661432 336035778 /nfs/dbraw/zinc/03/57/78/336035778.db2.gz NSNBMXISENANKB-RCAFFNEUSA-N 2 0 320.427 3.642 20 0 DHADRP C[C@H](F)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000351716962 336062056 /nfs/dbraw/zinc/06/20/56/336062056.db2.gz BYQNMXAXRUZRSW-KRWDZBQOSA-N 2 0 304.453 3.723 20 0 DHADRP Clc1cccc(Cl)c1[C@H]([NH2+]CCn1ccnc1)C1CC1 ZINC000351983893 336185607 /nfs/dbraw/zinc/18/56/07/336185607.db2.gz VHJDBEHWVYGUNX-OAHLLOKOSA-N 2 0 310.228 3.931 20 0 DHADRP C[C@@H](NCc1ncc(CN(C)C)s1)c1cc2ccccc2o1 ZINC000352250910 336206878 /nfs/dbraw/zinc/20/68/78/336206878.db2.gz MKKDXCWVVUEWAE-GFCCVEGCSA-N 2 0 315.442 3.802 20 0 DHADRP [NH3+]CC[C@H]1CCCCN1Cc1csc(-c2cccs2)n1 ZINC000352512343 336222395 /nfs/dbraw/zinc/22/23/95/336222395.db2.gz WUZRRTDAYITUSE-CYBMUJFWSA-N 2 0 307.488 3.575 20 0 DHADRP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000352769448 336234201 /nfs/dbraw/zinc/23/42/01/336234201.db2.gz NFUGAGQNZSAQGM-DYESRHJHSA-N 2 0 323.484 3.644 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000532523046 336252958 /nfs/dbraw/zinc/25/29/58/336252958.db2.gz UEZPIGLJZVKREK-INIZCTEOSA-N 2 0 304.478 3.776 20 0 DHADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000325195885 336281011 /nfs/dbraw/zinc/28/10/11/336281011.db2.gz CESSUNCZCZKVJQ-UHFFFAOYSA-N 2 0 324.468 3.683 20 0 DHADRP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192921750 336284348 /nfs/dbraw/zinc/28/43/48/336284348.db2.gz JQLHJPXDRLTSOK-FQEVSTJZSA-N 2 0 324.468 3.697 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000192950469 336285728 /nfs/dbraw/zinc/28/57/28/336285728.db2.gz RQVCBCRRHGPHDQ-MRXNPFEDSA-N 2 0 304.478 3.999 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000514099805 336303811 /nfs/dbraw/zinc/30/38/11/336303811.db2.gz QZBFFSIEOQLVSU-IJXRJRJASA-N 2 0 316.489 3.617 20 0 DHADRP Cc1cc2ccccc2nc1N1CCC[C@H](Cc2nccn2C)C1 ZINC000301708438 336324779 /nfs/dbraw/zinc/32/47/79/336324779.db2.gz HAZDLWYAYVLASZ-MRXNPFEDSA-N 2 0 320.440 3.736 20 0 DHADRP CCc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2[nH+]1 ZINC000301996530 336342151 /nfs/dbraw/zinc/34/21/51/336342151.db2.gz TWRILYMWGXWLFF-KRWDZBQOSA-N 2 0 309.457 3.862 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ccccn4)[C@H]3C2)cc1 ZINC000302067695 336346673 /nfs/dbraw/zinc/34/66/73/336346673.db2.gz WTFFKXUBRXTMDM-GBESFXJTSA-N 2 0 307.441 3.794 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ccccn4)[C@@H]3C2)cc1 ZINC000302067696 336346700 /nfs/dbraw/zinc/34/67/00/336346700.db2.gz WTFFKXUBRXTMDM-IPMKNSEASA-N 2 0 307.441 3.794 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000302089452 336347916 /nfs/dbraw/zinc/34/79/16/336347916.db2.gz ORXGTXJORVTGIC-QGZVFWFLSA-N 2 0 309.457 3.916 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000302220314 336354563 /nfs/dbraw/zinc/35/45/63/336354563.db2.gz MADYMJGWAALWIA-UZLBHIALSA-N 2 0 321.468 3.996 20 0 DHADRP FC1(F)CCC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000514116139 336367486 /nfs/dbraw/zinc/36/74/86/336367486.db2.gz XXLCRNUIFPMLBN-ZMSDIMECSA-N 2 0 312.448 3.761 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000514603401 336385708 /nfs/dbraw/zinc/38/57/08/336385708.db2.gz LUZUPNRZZDNXGN-BBCKOWNQSA-N 2 0 310.416 3.513 20 0 DHADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000514633825 336386982 /nfs/dbraw/zinc/38/69/82/336386982.db2.gz OKYMETAVQYGXMH-IBGZPJMESA-N 2 0 316.489 3.638 20 0 DHADRP CSc1ccccc1[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353630798 336430223 /nfs/dbraw/zinc/43/02/23/336430223.db2.gz NXMBYWUUGIQIOD-AWEZNQCLSA-N 2 0 324.559 3.887 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCCc3sccc32)CC[NH+](C)CC1 ZINC000353639229 336430816 /nfs/dbraw/zinc/43/08/16/336430816.db2.gz CSZWSCDGWWNXDI-CQSZACIVSA-N 2 0 310.532 3.543 20 0 DHADRP CSc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000358032456 336607522 /nfs/dbraw/zinc/60/75/22/336607522.db2.gz JMSJCCAYCZWFHE-UHFFFAOYSA-N 2 0 304.503 3.716 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000359842871 336689412 /nfs/dbraw/zinc/68/94/12/336689412.db2.gz IYLQUAMKXVZETL-INIZCTEOSA-N 2 0 307.482 3.878 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000360026135 336698225 /nfs/dbraw/zinc/69/82/25/336698225.db2.gz XMWDUTFCBPXPPS-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360842070 336724135 /nfs/dbraw/zinc/72/41/35/336724135.db2.gz VBOHLWBHJLLGIK-LJQANCHMSA-N 2 0 301.478 3.634 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000361100182 336738431 /nfs/dbraw/zinc/73/84/31/336738431.db2.gz XVHXTQLQJPYXPR-KFWWJZLASA-N 2 0 309.523 3.860 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000361921339 336778079 /nfs/dbraw/zinc/77/80/79/336778079.db2.gz BCNQJMKUQZTWHK-GPMSIDNRSA-N 2 0 304.478 3.571 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000371351285 336901361 /nfs/dbraw/zinc/90/13/61/336901361.db2.gz FLDTYLSXQXSYTB-SFHVURJKSA-N 2 0 323.484 3.687 20 0 DHADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000375689534 337016595 /nfs/dbraw/zinc/01/65/95/337016595.db2.gz IESOZQSVBLIAHB-BJLQDIEVSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000122755649 337023411 /nfs/dbraw/zinc/02/34/11/337023411.db2.gz AXGFCPGNFQCLHB-GOSISDBHSA-N 2 0 302.462 3.612 20 0 DHADRP COC1(C[C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)CCC1 ZINC000376098538 337026952 /nfs/dbraw/zinc/02/69/52/337026952.db2.gz QDJKAEXPGLEZEA-MRXNPFEDSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3occc32)[C@H]1c1ccccc1 ZINC000377356752 337051110 /nfs/dbraw/zinc/05/11/10/337051110.db2.gz CPOJXEAFWUOJQV-YVWKXTFCSA-N 2 0 310.441 3.940 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(C)c1O ZINC000377617240 337056442 /nfs/dbraw/zinc/05/64/42/337056442.db2.gz AFXOJKBPKZEJPP-VQTJNVASSA-N 2 0 324.468 3.792 20 0 DHADRP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377693952 337058806 /nfs/dbraw/zinc/05/88/06/337058806.db2.gz DNZDERZPLQVAPR-NEPXVJNWSA-N 2 0 303.494 3.879 20 0 DHADRP COc1ccc([C@H](C)C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000378439949 337072826 /nfs/dbraw/zinc/07/28/26/337072826.db2.gz XJPUMGUXMCTCLA-MRXNPFEDSA-N 2 0 316.489 3.795 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000584358889 337102419 /nfs/dbraw/zinc/10/24/19/337102419.db2.gz JXXGSACUONFLHD-RDJZCZTQSA-N 2 0 312.457 3.939 20 0 DHADRP Cc1ccsc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036843 337159959 /nfs/dbraw/zinc/15/99/59/337159959.db2.gz NWZPCMBSFAYVDN-XHSDSOJGSA-N 2 0 310.507 3.597 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178413241 337164478 /nfs/dbraw/zinc/16/44/78/337164478.db2.gz QZQDSXPVGDKQON-CABCVRRESA-N 2 0 317.502 3.864 20 0 DHADRP CCn1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000181665195 337183660 /nfs/dbraw/zinc/18/36/60/337183660.db2.gz SATDDAOSCIIOOU-IPJUCJBFSA-N 2 0 318.509 3.597 20 0 DHADRP C[C@H](CCC1CC1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000469807425 337193810 /nfs/dbraw/zinc/19/38/10/337193810.db2.gz HWTPTDJLMHBUOW-HZPDHXFCSA-N 2 0 304.478 3.856 20 0 DHADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000321110659 337198985 /nfs/dbraw/zinc/19/89/85/337198985.db2.gz YTENCPNAOGSOGF-UHFFFAOYSA-N 2 0 309.457 3.618 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000583136650 337243483 /nfs/dbraw/zinc/24/34/83/337243483.db2.gz IXLSLTCLQPCJKV-GUYCJALGSA-N 2 0 312.860 3.684 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000583136651 337243514 /nfs/dbraw/zinc/24/35/14/337243514.db2.gz IXLSLTCLQPCJKV-SUMWQHHRSA-N 2 0 312.860 3.684 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccsc1 ZINC000187726698 337269555 /nfs/dbraw/zinc/26/95/55/337269555.db2.gz BQWDWQFQVJMPTH-CRAIPNDOSA-N 2 0 322.518 3.680 20 0 DHADRP CC(C)OC1CC([NH2+]C2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000189536688 337280147 /nfs/dbraw/zinc/28/01/47/337280147.db2.gz NZZZIMSEXPGVLX-PBPGXSGUSA-N 2 0 316.489 3.758 20 0 DHADRP CSC1(C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC[NH+](C)CC1 ZINC000583233287 337281536 /nfs/dbraw/zinc/28/15/36/337281536.db2.gz CCLYJXBDOVLLCO-YJBOKZPZSA-N 2 0 318.530 3.645 20 0 DHADRP COCCC1(C[NH+]2CCC(n3ccnc3)CC2)CCCCC1 ZINC000189826837 337283264 /nfs/dbraw/zinc/28/32/64/337283264.db2.gz SFHPCLGBRXGRAS-UHFFFAOYSA-N 2 0 305.466 3.507 20 0 DHADRP C[NH+](C)Cc1cccc(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121754732 337396599 /nfs/dbraw/zinc/39/65/99/337396599.db2.gz ABRLXUZERPIFGN-UHFFFAOYSA-N 2 0 323.484 3.825 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH+](C)CC1)CCCO2 ZINC000125383139 337411195 /nfs/dbraw/zinc/41/11/95/337411195.db2.gz CXEPKDZYIJGBOX-GOSISDBHSA-N 2 0 302.462 3.530 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+]C(C3CC3)C3CC3)CC2)c1 ZINC000125459259 337411946 /nfs/dbraw/zinc/41/19/46/337411946.db2.gz MJFFQDCKRQSSOM-UHFFFAOYSA-N 2 0 304.503 3.738 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000126366833 337416413 /nfs/dbraw/zinc/41/64/13/337416413.db2.gz RZINABVMUZMTMJ-MRXNPFEDSA-N 2 0 312.404 3.671 20 0 DHADRP Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420182251 337496270 /nfs/dbraw/zinc/49/62/70/337496270.db2.gz GEJAUEFXAWKHBJ-NHYWBVRUSA-N 2 0 303.837 3.679 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000420363539 337499837 /nfs/dbraw/zinc/49/98/37/337499837.db2.gz PLEADJXQVLTRFK-UHFFFAOYSA-N 2 0 303.494 3.603 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000420403555 337500749 /nfs/dbraw/zinc/50/07/49/337500749.db2.gz LDFXSHIWELILPT-LBPRGKRZSA-N 2 0 316.367 3.626 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000065996761 337517476 /nfs/dbraw/zinc/51/74/76/337517476.db2.gz ZTHAUDXZXCGSSD-UHFFFAOYSA-N 2 0 324.468 3.697 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000421373926 337528332 /nfs/dbraw/zinc/52/83/32/337528332.db2.gz OBVVAGNBTCIOAE-UHFFFAOYSA-N 2 0 309.457 3.711 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422699909 337683512 /nfs/dbraw/zinc/68/35/12/337683512.db2.gz FJZQRIMMIAVFFY-ZDUSSCGKSA-N 2 0 314.395 3.844 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000422703882 337683607 /nfs/dbraw/zinc/68/36/07/337683607.db2.gz JEDWIKFYRLKYPG-YOEHRIQHSA-N 2 0 310.457 3.726 20 0 DHADRP FC(F)(F)c1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422708445 337683684 /nfs/dbraw/zinc/68/36/84/337683684.db2.gz XPSLFKIEXQXEAX-XYPWUTKMSA-N 2 0 324.390 3.610 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724515 337684117 /nfs/dbraw/zinc/68/41/17/337684117.db2.gz VWSUUVNUDKXBPG-GDBMZVCRSA-N 2 0 314.395 3.745 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422754748 337685262 /nfs/dbraw/zinc/68/52/62/337685262.db2.gz GDFHEUFBRGMONL-KXBFYZLASA-N 2 0 314.448 3.651 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422771815 337685779 /nfs/dbraw/zinc/68/57/79/337685779.db2.gz RNNFIVCEYAPUKG-KSZLIROESA-N 2 0 304.503 3.597 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422791349 337686808 /nfs/dbraw/zinc/68/68/08/337686808.db2.gz UWCDQLPHEWGPPS-XMTFNYHQSA-N 2 0 322.880 3.538 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]C3CCC([NH3+])CC3)oc21 ZINC000422791838 337686824 /nfs/dbraw/zinc/68/68/24/337686824.db2.gz VHYNOSKQVHFKLO-LRVUVFPRSA-N 2 0 302.418 3.752 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422804193 337687291 /nfs/dbraw/zinc/68/72/91/337687291.db2.gz DUYMJJXREMVBQY-RZQQEMMASA-N 2 0 309.457 3.787 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422811673 337687625 /nfs/dbraw/zinc/68/76/25/337687625.db2.gz VBIUAZIFLOGVAS-ZRNYENFQSA-N 2 0 316.489 3.570 20 0 DHADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000422817350 337688027 /nfs/dbraw/zinc/68/80/27/337688027.db2.gz CXTMBNOWINAARP-IYWMVGAKSA-N 2 0 322.537 3.872 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2cccnc2)cc1 ZINC000422817255 337688091 /nfs/dbraw/zinc/68/80/91/337688091.db2.gz CRBIFRQWUZBDAB-VCZJPHHKSA-N 2 0 307.441 3.682 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000422826627 337688173 /nfs/dbraw/zinc/68/81/73/337688173.db2.gz RDPKWWZFHSDCHI-ZJUUUORDSA-N 2 0 305.285 3.679 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422883488 337689910 /nfs/dbraw/zinc/68/99/10/337689910.db2.gz CIBADGFUUUIWNO-GUYCJALGSA-N 2 0 303.837 3.541 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422890591 337690180 /nfs/dbraw/zinc/69/01/80/337690180.db2.gz SMKHZKGGLLRCJF-AZUAARDMSA-N 2 0 312.457 3.716 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000422890776 337690188 /nfs/dbraw/zinc/69/01/88/337690188.db2.gz JEMMEZSFAFENTH-HPUBIQBYSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422904670 337690505 /nfs/dbraw/zinc/69/05/05/337690505.db2.gz HITJZYCOJJTNPH-CYBMUJFWSA-N 2 0 300.833 3.705 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422910296 337690883 /nfs/dbraw/zinc/69/08/83/337690883.db2.gz QGDWCQWYZJRYJL-DOMZBBRYSA-N 2 0 314.395 3.700 20 0 DHADRP CC(C)CC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422928333 337691956 /nfs/dbraw/zinc/69/19/56/337691956.db2.gz KBENPCBDBMQXPC-PXNSSMCTSA-N 2 0 314.473 3.658 20 0 DHADRP CC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422930860 337692153 /nfs/dbraw/zinc/69/21/53/337692153.db2.gz WIFAAYVNUHJZLI-FXAWDEMLSA-N 2 0 314.473 3.802 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1csc2ccccc12 ZINC000422935617 337692401 /nfs/dbraw/zinc/69/24/01/337692401.db2.gz LFEUBIPCBWHJRO-KXBFYZLASA-N 2 0 324.493 3.992 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422939507 337692504 /nfs/dbraw/zinc/69/25/04/337692504.db2.gz FXBFPSBEKQWSEX-PMPSAXMXSA-N 2 0 322.518 3.531 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000422937946 337692544 /nfs/dbraw/zinc/69/25/44/337692544.db2.gz KDHOIMHZTMTZLF-GFCCVEGCSA-N 2 0 311.267 3.545 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000422940475 337692669 /nfs/dbraw/zinc/69/26/69/337692669.db2.gz SULGPWXKYVHKEL-RLFYNMQTSA-N 2 0 316.420 3.661 20 0 DHADRP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422994510 337693951 /nfs/dbraw/zinc/69/39/51/337693951.db2.gz HXWVNNBKAFAIIE-BISRIHTFSA-N 2 0 314.473 3.558 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000422950170 337694434 /nfs/dbraw/zinc/69/44/34/337694434.db2.gz XGBFJOXKHQHFCK-XIKOKIGWSA-N 2 0 315.848 3.840 20 0 DHADRP C[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423057053 337697509 /nfs/dbraw/zinc/69/75/09/337697509.db2.gz GRRNYCHQAHPORM-YWPYICTPSA-N 2 0 300.368 3.539 20 0 DHADRP Cc1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423056559 337697559 /nfs/dbraw/zinc/69/75/59/337697559.db2.gz YKHTYTQGBYHUQI-LBPRGKRZSA-N 2 0 309.413 3.754 20 0 DHADRP Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000423060294 337697739 /nfs/dbraw/zinc/69/77/39/337697739.db2.gz OBULKWRDZYGJGQ-ZEWNOJEFSA-N 2 0 323.484 3.721 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423080682 337698528 /nfs/dbraw/zinc/69/85/28/337698528.db2.gz ZVOMUMDISXSOGH-HSALFYBXSA-N 2 0 315.505 3.909 20 0 DHADRP c1cnc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000423084792 337698837 /nfs/dbraw/zinc/69/88/37/337698837.db2.gz IXZMWMJLAJIIRG-MISYRCLQSA-N 2 0 309.457 3.635 20 0 DHADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092135 337698953 /nfs/dbraw/zinc/69/89/53/337698953.db2.gz ARRDMUDZFPJTAI-YOJMASELSA-N 2 0 316.464 3.972 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095114 337699242 /nfs/dbraw/zinc/69/92/42/337699242.db2.gz DHQPTUTVDUIUQJ-VBRUCIBASA-N 2 0 310.844 3.832 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098674 337699328 /nfs/dbraw/zinc/69/93/28/337699328.db2.gz DFBTYMJKEKHRGM-DOMZBBRYSA-N 2 0 321.877 3.681 20 0 DHADRP COCCC[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423108015 337699981 /nfs/dbraw/zinc/69/99/81/337699981.db2.gz QLOIDINTFKSPDD-UWWQBHOKSA-N 2 0 324.896 3.580 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423122261 337700493 /nfs/dbraw/zinc/70/04/93/337700493.db2.gz BZFXNFAZEOEAGK-WSIUPNEHSA-N 2 0 302.437 3.582 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423125785 337700542 /nfs/dbraw/zinc/70/05/42/337700542.db2.gz AFXQFIONHJWATB-MNOVXSKESA-N 2 0 317.246 3.756 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423142443 337701319 /nfs/dbraw/zinc/70/13/19/337701319.db2.gz VFRJOIPIZPMWTR-DLBZAZTESA-N 2 0 303.494 3.568 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423164632 337702121 /nfs/dbraw/zinc/70/21/21/337702121.db2.gz XGZIMLBYIBROBU-DIECRNLCSA-N 2 0 311.267 3.569 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423167911 337702287 /nfs/dbraw/zinc/70/22/87/337702287.db2.gz GASDMLGKOMOEOP-VHKYSDTDSA-N 2 0 323.484 3.939 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc2O1 ZINC000423166447 337702308 /nfs/dbraw/zinc/70/23/08/337702308.db2.gz ZFQSTJPHCWITRK-UWAKZDDMSA-N 2 0 314.473 3.799 20 0 DHADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423198404 337703493 /nfs/dbraw/zinc/70/34/93/337703493.db2.gz FTFIIGUSFKMLEX-LLVKDONJSA-N 2 0 306.397 3.601 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCS2 ZINC000423220917 337705376 /nfs/dbraw/zinc/70/53/76/337705376.db2.gz YWHGGBMYELMSKA-IUODEOHRSA-N 2 0 310.894 3.856 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423223373 337705564 /nfs/dbraw/zinc/70/55/64/337705564.db2.gz GFLHKUJYJOTVTM-WDEREUQCSA-N 2 0 307.438 3.646 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1csc(-c2ccccc2)n1 ZINC000423238501 337706512 /nfs/dbraw/zinc/70/65/12/337706512.db2.gz VGEUYYFKTJYGQM-LRVUVFPRSA-N 2 0 301.459 3.731 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000423246450 337707056 /nfs/dbraw/zinc/70/70/56/337707056.db2.gz KBWOWTWSHFSUAQ-UONOGXRCSA-N 2 0 310.869 3.777 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)cs1 ZINC000423254555 337707563 /nfs/dbraw/zinc/70/75/63/337707563.db2.gz YLSKGHBYNGNHNC-YPMHNXCESA-N 2 0 321.515 3.830 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423257346 337707670 /nfs/dbraw/zinc/70/76/70/337707670.db2.gz IYBAAATXODQMNG-OCCSQVGLSA-N 2 0 309.523 3.789 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000423262123 337707975 /nfs/dbraw/zinc/70/79/75/337707975.db2.gz ULGHMHSXRKCQLH-QWRGUYRKSA-N 2 0 317.296 3.551 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423264771 337708267 /nfs/dbraw/zinc/70/82/67/337708267.db2.gz YZFRKIIHDHDDOK-CJNGLKHVSA-N 2 0 310.869 3.779 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423273557 337708882 /nfs/dbraw/zinc/70/88/82/337708882.db2.gz LCOVEWSVUFPTKI-KDOFPFPSSA-N 2 0 306.881 3.640 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423280570 337709274 /nfs/dbraw/zinc/70/92/74/337709274.db2.gz UREGCIYKLPRAIJ-HIFRSBDPSA-N 2 0 315.486 3.633 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423290832 337709909 /nfs/dbraw/zinc/70/99/09/337709909.db2.gz FPTNREMQGUBERI-OWCLPIDISA-N 2 0 312.457 3.997 20 0 DHADRP Cc1c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cnn1C(C)C ZINC000423296168 337710900 /nfs/dbraw/zinc/71/09/00/337710900.db2.gz YMPJCFBKNWNWAU-KGLIPLIRSA-N 2 0 300.450 3.643 20 0 DHADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CCCC[NH3+] ZINC000423324550 337711895 /nfs/dbraw/zinc/71/18/95/337711895.db2.gz KMHWKGVHGQJKNO-QGZVFWFLSA-N 2 0 304.478 3.835 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423324050 337711992 /nfs/dbraw/zinc/71/19/92/337711992.db2.gz HUZIFKBHAMVHLR-OAHLLOKOSA-N 2 0 316.420 3.794 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423354288 337713836 /nfs/dbraw/zinc/71/38/36/337713836.db2.gz NETAHWJZRBFXCM-WBVHZDCISA-N 2 0 324.390 3.851 20 0 DHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423359664 337714311 /nfs/dbraw/zinc/71/43/11/337714311.db2.gz VDTCEBAYRXRHFD-LBPRGKRZSA-N 2 0 317.433 3.520 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423400448 337715599 /nfs/dbraw/zinc/71/55/99/337715599.db2.gz VJLDIURLFMLTKQ-AWEZNQCLSA-N 2 0 306.409 3.757 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423400356 337715654 /nfs/dbraw/zinc/71/56/54/337715654.db2.gz QGNYGMMPQPVOLX-OIVLGSRBSA-N 2 0 316.489 3.550 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423401187 337715714 /nfs/dbraw/zinc/71/57/14/337715714.db2.gz VWADOHLNCFZQRH-UHTWSYAYSA-N 2 0 302.340 3.506 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423405838 337715931 /nfs/dbraw/zinc/71/59/31/337715931.db2.gz UBLZCEGIYITBAK-XJKCOSOUSA-N 2 0 314.395 3.614 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424180 337716997 /nfs/dbraw/zinc/71/69/97/337716997.db2.gz MQQYCXUXBQVMAA-QEJZJMRPSA-N 2 0 309.523 3.991 20 0 DHADRP COCC1(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)CC[NH2+]CC1 ZINC000423377408 337717330 /nfs/dbraw/zinc/71/73/30/337717330.db2.gz BQLVIPJPOZMBIG-MRXNPFEDSA-N 2 0 318.505 3.651 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000423382852 337717594 /nfs/dbraw/zinc/71/75/94/337717594.db2.gz OSZCVBNHOIJISC-MOIQIXESSA-N 2 0 306.881 3.781 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CCCO2 ZINC000423383795 337717906 /nfs/dbraw/zinc/71/79/06/337717906.db2.gz FGTHOVIEATZQQO-JCGIZDLHSA-N 2 0 302.462 3.611 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423385501 337717964 /nfs/dbraw/zinc/71/79/64/337717964.db2.gz QVDRDXLRURXXGR-BQFCYCMXSA-N 2 0 304.478 3.903 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000423436940 337719126 /nfs/dbraw/zinc/71/91/26/337719126.db2.gz QCSNYTHOUKJUFF-XJKSGUPXSA-N 2 0 310.869 3.969 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCC1 ZINC000423466669 337720893 /nfs/dbraw/zinc/72/08/93/337720893.db2.gz ITKGOVFZYGWLPQ-UHOSZYNNSA-N 2 0 304.453 3.687 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2c1 ZINC000423467406 337720898 /nfs/dbraw/zinc/72/08/98/337720898.db2.gz IVESWBGDKDEGGJ-RRFJBIMHSA-N 2 0 316.445 3.918 20 0 DHADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423471428 337721332 /nfs/dbraw/zinc/72/13/32/337721332.db2.gz FEZGVMXSQNASOG-IEBWSBKVSA-N 2 0 314.473 3.511 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423487817 337722291 /nfs/dbraw/zinc/72/22/91/337722291.db2.gz CYLHMQNYMLEEFR-YDHLFZDLSA-N 2 0 301.459 3.588 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423488772 337722599 /nfs/dbraw/zinc/72/25/99/337722599.db2.gz VRKSDGVSLGVUJC-ZIAGYGMSSA-N 2 0 312.404 3.779 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCCO2 ZINC000423492125 337722685 /nfs/dbraw/zinc/72/26/85/337722685.db2.gz LVQGWUHNOJXRNJ-XJKCOSOUSA-N 2 0 308.853 3.579 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000423493632 337722814 /nfs/dbraw/zinc/72/28/14/337722814.db2.gz QLMAVOQACOODEZ-SIXWZSSISA-N 2 0 302.462 3.644 20 0 DHADRP CC(C)[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccnc1 ZINC000423530619 337724582 /nfs/dbraw/zinc/72/45/82/337724582.db2.gz RLRBYBVCJCFISV-VSDHMQNDSA-N 2 0 313.489 3.522 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423537570 337724981 /nfs/dbraw/zinc/72/49/81/337724981.db2.gz DEIOSKKHHCJCSN-OEUWWYETSA-N 2 0 320.864 3.531 20 0 DHADRP Fc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423539682 337725142 /nfs/dbraw/zinc/72/51/42/337725142.db2.gz PBIGXRDQUDHHGI-IBGZPJMESA-N 2 0 302.437 3.956 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000423545309 337725275 /nfs/dbraw/zinc/72/52/75/337725275.db2.gz PDUNTDFIPRIJAU-DILOTOHQSA-N 2 0 324.468 3.887 20 0 DHADRP Cc1cc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)ccc1F ZINC000423545303 337725301 /nfs/dbraw/zinc/72/53/01/337725301.db2.gz PDOLTRBXIMQPJD-IMBTUZDBSA-N 2 0 302.437 3.563 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423544518 337725347 /nfs/dbraw/zinc/72/53/47/337725347.db2.gz OIHWKHQCIPPCLC-IATRGZMQSA-N 2 0 322.905 3.855 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1C(F)(F)F ZINC000423550214 337725383 /nfs/dbraw/zinc/72/53/83/337725383.db2.gz SPJCNVJIMYQJLC-XDQVBPFNSA-N 2 0 312.379 3.744 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423550194 337725415 /nfs/dbraw/zinc/72/54/15/337725415.db2.gz SOSXZEHELFRZGG-KNCOVGOOSA-N 2 0 322.880 3.777 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000536848259 337744272 /nfs/dbraw/zinc/74/42/72/337744272.db2.gz XBMMZJFEXCSCNS-NZSAHSFTSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000536848262 337744388 /nfs/dbraw/zinc/74/43/88/337744388.db2.gz XBMMZJFEXCSCNS-QRQLOZEOSA-N 2 0 320.521 3.721 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC000424265708 337813526 /nfs/dbraw/zinc/81/35/26/337813526.db2.gz KGPVISSBYWVRFH-YHDCXSKOSA-N 2 0 322.537 3.680 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000537306277 337929999 /nfs/dbraw/zinc/92/99/99/337929999.db2.gz JCHHYGJCAIXOOO-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000514930448 337974256 /nfs/dbraw/zinc/97/42/56/337974256.db2.gz FEMWLYYFVUKIIA-JTQLQIEISA-N 2 0 305.285 3.549 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000516498772 338013893 /nfs/dbraw/zinc/01/38/93/338013893.db2.gz OARUWHFLSALFKC-CQSZACIVSA-N 2 0 310.432 3.607 20 0 DHADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C[NH+](C)C ZINC000425939167 338019177 /nfs/dbraw/zinc/01/91/77/338019177.db2.gz SEOCWIYMNZXRHH-FVCCEPFGSA-N 2 0 300.899 3.681 20 0 DHADRP COC1(C[C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCC1 ZINC000429434453 338080961 /nfs/dbraw/zinc/08/09/61/338080961.db2.gz RVWHGULXTIWNGY-KRWDZBQOSA-N 2 0 318.505 3.964 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000429801055 338090247 /nfs/dbraw/zinc/09/02/47/338090247.db2.gz GBLKVUCJCLQEJZ-GUYCJALGSA-N 2 0 312.860 3.684 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430018894 338093540 /nfs/dbraw/zinc/09/35/40/338093540.db2.gz LUQLMAXDCXXKTN-UHFFFAOYSA-N 2 0 322.880 3.560 20 0 DHADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115039 338097473 /nfs/dbraw/zinc/09/74/73/338097473.db2.gz UMEFTRMKRHFUPO-IBGZPJMESA-N 2 0 312.413 3.600 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000430956346 338119455 /nfs/dbraw/zinc/11/94/55/338119455.db2.gz KIDHBMRDJJKYBS-LBPRGKRZSA-N 2 0 319.449 3.508 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015004 338120629 /nfs/dbraw/zinc/12/06/29/338120629.db2.gz QXPWLVYBGVRLNU-CYBMUJFWSA-N 2 0 312.379 3.842 20 0 DHADRP c1cc(C[N@H+](Cc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432666754 338161908 /nfs/dbraw/zinc/16/19/08/338161908.db2.gz KJQMWPAVPFFFIS-GOSISDBHSA-N 2 0 312.482 3.892 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC2CCOCC2)CC1 ZINC000432814124 338168769 /nfs/dbraw/zinc/16/87/69/338168769.db2.gz RPWZDLWWVBMUST-SFHVURJKSA-N 2 0 322.537 3.780 20 0 DHADRP COc1cc(C[NH+]2CCC[C@@H]2C)cc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000432832527 338169876 /nfs/dbraw/zinc/16/98/76/338169876.db2.gz OWJYCCPRVIIXEG-HOTGVXAUSA-N 2 0 302.462 3.664 20 0 DHADRP CCc1ccc([C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000433062664 338179489 /nfs/dbraw/zinc/17/94/89/338179489.db2.gz VAPXICVZGVPWIJ-UXHICEINSA-N 2 0 300.490 3.913 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000433097677 338181579 /nfs/dbraw/zinc/18/15/79/338181579.db2.gz ORBYZEXKNLLTCC-WBVHZDCISA-N 2 0 310.551 3.905 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000433155971 338183334 /nfs/dbraw/zinc/18/33/34/338183334.db2.gz GYUNZHQXSRUBLP-IYBDPMFKSA-N 2 0 316.489 3.574 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433302671 338190464 /nfs/dbraw/zinc/19/04/64/338190464.db2.gz JOUBQBJDHLXOKJ-LLVKDONJSA-N 2 0 323.428 3.762 20 0 DHADRP COc1cc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1F ZINC000152630382 338209214 /nfs/dbraw/zinc/20/92/14/338209214.db2.gz HCMLOIZOPLHWBP-LBPRGKRZSA-N 2 0 308.441 3.794 20 0 DHADRP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000153000675 338215370 /nfs/dbraw/zinc/21/53/70/338215370.db2.gz NRVADDNBQIXBRW-ZFWWWQNUSA-N 2 0 300.368 3.582 20 0 DHADRP CC[N@H+](Cc1cnc(-c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435393135 338238870 /nfs/dbraw/zinc/23/88/70/338238870.db2.gz ZEYYOGUQMGYEQG-INIZCTEOSA-N 2 0 315.486 3.774 20 0 DHADRP c1csc(C[N@@H+](CC2CCCCC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435420069 338239625 /nfs/dbraw/zinc/23/96/25/338239625.db2.gz BBAIEWXVRHCGBV-MRXNPFEDSA-N 2 0 319.518 3.668 20 0 DHADRP COCCCCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684302 338245132 /nfs/dbraw/zinc/24/51/32/338245132.db2.gz USOBRLZWDYSYAI-QGZVFWFLSA-N 2 0 322.518 3.509 20 0 DHADRP CCCCOCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693306 338245496 /nfs/dbraw/zinc/24/54/96/338245496.db2.gz IRVRUPRYWAOYOK-KRWDZBQOSA-N 2 0 322.518 3.509 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436233871 338262699 /nfs/dbraw/zinc/26/26/99/338262699.db2.gz VGJMTTCYKFRHLX-CQSZACIVSA-N 2 0 303.425 3.517 20 0 DHADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436293821 338266815 /nfs/dbraw/zinc/26/68/15/338266815.db2.gz DUQLZMQZRWOWBB-INDMIFKZSA-N 2 0 308.510 3.577 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000437799286 338322113 /nfs/dbraw/zinc/32/21/13/338322113.db2.gz LVUVPYCNJQWLIG-AZUAARDMSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130946 338333775 /nfs/dbraw/zinc/33/37/75/338333775.db2.gz VLHMADZCKSJSAP-IRXDYDNUSA-N 2 0 304.453 3.737 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000438357807 338341218 /nfs/dbraw/zinc/34/12/18/338341218.db2.gz NWDNLCNOSVHBSO-UHFFFAOYSA-N 2 0 310.445 3.732 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000446887973 338539526 /nfs/dbraw/zinc/53/95/26/338539526.db2.gz AZZZCPIPHDEEGL-HNNXBMFYSA-N 2 0 320.502 3.910 20 0 DHADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446889313 338539773 /nfs/dbraw/zinc/53/97/73/338539773.db2.gz VIXRKZXDWSNXAL-PZJWPPBQSA-N 2 0 312.501 3.862 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558880 338556821 /nfs/dbraw/zinc/55/68/21/338556821.db2.gz QNWCUETVADGJBV-HXUWFJFHSA-N 2 0 318.480 3.857 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CCC2)o1 ZINC000447567778 338557544 /nfs/dbraw/zinc/55/75/44/338557544.db2.gz FCRYMLGYKTUPCS-LJQANCHMSA-N 2 0 302.462 3.893 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449170977 338599022 /nfs/dbraw/zinc/59/90/22/338599022.db2.gz JVTVRFCXOOEVNQ-DHADLLTHSA-N 2 0 308.510 3.719 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000449189882 338600760 /nfs/dbraw/zinc/60/07/60/338600760.db2.gz VKHGIBYFUYARCB-APWZRJJASA-N 2 0 318.530 3.567 20 0 DHADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449250803 338606866 /nfs/dbraw/zinc/60/68/66/338606866.db2.gz PZDSEIKDBDKGCU-IWAYRVGRSA-N 2 0 310.526 3.582 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000449262053 338607898 /nfs/dbraw/zinc/60/78/98/338607898.db2.gz BBONKCXCRZKUSO-UWVAXJGDSA-N 2 0 300.490 3.860 20 0 DHADRP CCn1ccnc1[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000453184446 338804075 /nfs/dbraw/zinc/80/40/75/338804075.db2.gz ZXKRKPAYDZHAIA-WWDZGPRUSA-N 2 0 318.509 3.597 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000194988143 338815680 /nfs/dbraw/zinc/81/56/80/338815680.db2.gz XXUSOIXRPULNNZ-NRFANRHFSA-N 2 0 324.468 3.716 20 0 DHADRP CCC[NH+]1CCC([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000453387050 338836164 /nfs/dbraw/zinc/83/61/64/338836164.db2.gz VUMBYRPYZAUNAS-UHFFFAOYSA-N 2 0 306.881 3.879 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000459333774 339022609 /nfs/dbraw/zinc/02/26/09/339022609.db2.gz CCJSYNRPIDZJOD-MRXNPFEDSA-N 2 0 300.437 3.620 20 0 DHADRP Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c(C[NH+](C)C)c1 ZINC000459357007 339024162 /nfs/dbraw/zinc/02/41/62/339024162.db2.gz JIFWUTLTYVRGJQ-UHFFFAOYSA-N 2 0 324.472 3.533 20 0 DHADRP CC(C)OC1CC([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000459358430 339024375 /nfs/dbraw/zinc/02/43/75/339024375.db2.gz FUWKBDUZRGREOI-QHGAOEGBSA-N 2 0 322.537 3.919 20 0 DHADRP c1ccc2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC000459388138 339026441 /nfs/dbraw/zinc/02/64/41/339026441.db2.gz NVZJTBNMUJQODW-UHFFFAOYSA-N 2 0 317.436 3.993 20 0 DHADRP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459466976 339030958 /nfs/dbraw/zinc/03/09/58/339030958.db2.gz QCSNKFDMIDJOHV-HRAATJIYSA-N 2 0 321.468 3.964 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000459561112 339035940 /nfs/dbraw/zinc/03/59/40/339035940.db2.gz MHEOVFFWQRZMLM-IXDOHACOSA-N 2 0 301.478 3.855 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459577759 339037023 /nfs/dbraw/zinc/03/70/23/339037023.db2.gz WJTFBONWBHXBQQ-IAGOWNOFSA-N 2 0 301.478 3.856 20 0 DHADRP Fc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000459660365 339041296 /nfs/dbraw/zinc/04/12/96/339041296.db2.gz NVKINMHABHMGBW-RTBURBONSA-N 2 0 309.388 3.899 20 0 DHADRP COC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000459667547 339041714 /nfs/dbraw/zinc/04/17/14/339041714.db2.gz AVRGPMLQNBTXLX-JCJXWUGKSA-N 2 0 308.510 3.577 20 0 DHADRP COC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000459667548 339041845 /nfs/dbraw/zinc/04/18/45/339041845.db2.gz AVRGPMLQNBTXLX-MEWCUZTCSA-N 2 0 308.510 3.577 20 0 DHADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000459724942 339044514 /nfs/dbraw/zinc/04/45/14/339044514.db2.gz ATPOXQLJPHUNGC-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP Clc1cccc(CC2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000459725341 339044541 /nfs/dbraw/zinc/04/45/41/339044541.db2.gz ZTRFSZXISHDILK-QZTJIDSGSA-N 2 0 318.892 3.879 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000459725972 339044560 /nfs/dbraw/zinc/04/45/60/339044560.db2.gz FUJYMTGLKGWBQQ-MUYFXNHWSA-N 2 0 316.489 3.740 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000459730077 339044864 /nfs/dbraw/zinc/04/48/64/339044864.db2.gz JTPZEVJIAINGGT-ZDUSSCGKSA-N 2 0 321.515 3.693 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000459734275 339045221 /nfs/dbraw/zinc/04/52/21/339045221.db2.gz OJROWNBYRCMLNU-ZDUSSCGKSA-N 2 0 321.515 3.693 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000459740454 339045472 /nfs/dbraw/zinc/04/54/72/339045472.db2.gz UIRBBXDANTVHIK-GFCCVEGCSA-N 2 0 318.358 3.666 20 0 DHADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000459741581 339045527 /nfs/dbraw/zinc/04/55/27/339045527.db2.gz APOAKXKLFUFKDK-CVEARBPZSA-N 2 0 310.526 3.821 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)s2)o1 ZINC000459742409 339045602 /nfs/dbraw/zinc/04/56/02/339045602.db2.gz WDQAIVGQHIDKGQ-CQSZACIVSA-N 2 0 319.474 3.533 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C12CCC2 ZINC000459782654 339048353 /nfs/dbraw/zinc/04/83/53/339048353.db2.gz MTPNEEDCSXDCDC-WZGPROSRSA-N 2 0 320.521 3.577 20 0 DHADRP Cc1nccn1CC[N@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460966510 339056094 /nfs/dbraw/zinc/05/60/94/339056094.db2.gz IMKZOBQOPPXPMU-IBGZPJMESA-N 2 0 311.473 3.880 20 0 DHADRP c1ccc([C@@H](C[NH+]2CCCC2)Nc2cc[nH+]c3ccccc23)cc1 ZINC000461446288 339064053 /nfs/dbraw/zinc/06/40/53/339064053.db2.gz SYAZBSLLHBNARL-OAQYLSRUSA-N 2 0 317.436 3.906 20 0 DHADRP COc1ccc(F)cc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000462786350 339088606 /nfs/dbraw/zinc/08/86/06/339088606.db2.gz XQGHNFDHHBLQFL-UHFFFAOYSA-N 2 0 322.468 3.682 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000462787496 339088676 /nfs/dbraw/zinc/08/86/76/339088676.db2.gz KGSDYGJVRKARLF-UJMXGEILSA-N 2 0 322.537 3.539 20 0 DHADRP COc1ccc(F)cc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000462798361 339089584 /nfs/dbraw/zinc/08/95/84/339089584.db2.gz KNOQBVCPIKUCHN-HZPDHXFCSA-N 2 0 322.468 3.682 20 0 DHADRP Cc1cc(Cl)ccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000463738505 339125262 /nfs/dbraw/zinc/12/52/62/339125262.db2.gz WVZQACICMMNAKJ-IYBDPMFKSA-N 2 0 324.896 3.627 20 0 DHADRP C(CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)CC[NH+]1CCCCC1 ZINC000464076806 339133320 /nfs/dbraw/zinc/13/33/20/339133320.db2.gz PTZJQCKJHIPMLJ-VAMGGRTRSA-N 2 0 322.537 3.828 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000467342504 339232572 /nfs/dbraw/zinc/23/25/72/339232572.db2.gz KJELDYGQWJJVJU-CYBMUJFWSA-N 2 0 314.395 3.568 20 0 DHADRP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c2ccccc12 ZINC000467519148 339240919 /nfs/dbraw/zinc/24/09/19/339240919.db2.gz QBKBWNOGBZUSPG-UHFFFAOYSA-N 2 0 312.457 3.766 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000468910233 339274428 /nfs/dbraw/zinc/27/44/28/339274428.db2.gz HAYALEFSKBWEDU-QZTJIDSGSA-N 2 0 318.480 3.955 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)[C@@H](C)C1 ZINC000468934471 339275181 /nfs/dbraw/zinc/27/51/81/339275181.db2.gz KIVVSZFDUAEHCS-QFBILLFUSA-N 2 0 318.480 3.957 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000469165480 339281885 /nfs/dbraw/zinc/28/18/85/339281885.db2.gz XEVSXBZITXSACV-OLZOCXBDSA-N 2 0 318.383 3.619 20 0 DHADRP COC(C)(C)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000469727598 339296988 /nfs/dbraw/zinc/29/69/88/339296988.db2.gz GFZWUKYIKFOPFZ-QGZVFWFLSA-N 2 0 310.526 3.778 20 0 DHADRP COC(C)(C)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000469732055 339297029 /nfs/dbraw/zinc/29/70/29/339297029.db2.gz XWUVZHSRKLHUMT-HKUYNNGSSA-N 2 0 318.505 3.786 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000469982145 339306785 /nfs/dbraw/zinc/30/67/85/339306785.db2.gz MUGYVWPJJVQQHC-UXHICEINSA-N 2 0 300.490 3.769 20 0 DHADRP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@@H](C[NH2+]C)C3)ccc21 ZINC000470010378 339308454 /nfs/dbraw/zinc/30/84/54/339308454.db2.gz WQZJWDNRLXZOQF-KRWDZBQOSA-N 2 0 321.468 3.856 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000472267211 339368210 /nfs/dbraw/zinc/36/82/10/339368210.db2.gz CLVPEDWZYGIIEO-YJBOKZPZSA-N 2 0 324.896 3.834 20 0 DHADRP Cc1cccnc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472339303 339370065 /nfs/dbraw/zinc/37/00/65/339370065.db2.gz LNXCQGFDPJMCKF-PZJWPPBQSA-N 2 0 323.484 3.562 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000472562046 339373937 /nfs/dbraw/zinc/37/39/37/339373937.db2.gz GOEJUCOZPPNHBJ-PKOBYXMFSA-N 2 0 304.453 3.565 20 0 DHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000473061831 339380951 /nfs/dbraw/zinc/38/09/51/339380951.db2.gz ZSHDKAHFAAAGGY-QYZOEREBSA-N 2 0 323.569 3.597 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000474033258 339397999 /nfs/dbraw/zinc/39/79/99/339397999.db2.gz NXCMGAQDDBKEEE-SFHVURJKSA-N 2 0 304.478 3.738 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C(C)C ZINC000474041430 339398539 /nfs/dbraw/zinc/39/85/39/339398539.db2.gz ZBNVVLAGRFVEIM-CEXWTWQISA-N 2 0 310.526 3.680 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479467090 339536636 /nfs/dbraw/zinc/53/66/36/339536636.db2.gz UJJGSRCNIDIWCK-UHFFFAOYSA-N 2 0 313.489 3.996 20 0 DHADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000479585277 339542510 /nfs/dbraw/zinc/54/25/10/339542510.db2.gz DIWJIRUILADDBE-UHFFFAOYSA-N 2 0 314.477 3.697 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479864093 339551293 /nfs/dbraw/zinc/55/12/93/339551293.db2.gz HKNYSZCNDQXWKK-TXPKVOOTSA-N 2 0 304.478 3.856 20 0 DHADRP CC(C)=CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000480308573 339568457 /nfs/dbraw/zinc/56/84/57/339568457.db2.gz MUHBGSKXHOAQCK-UHFFFAOYSA-N 2 0 321.896 3.538 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1F ZINC000480617462 339579906 /nfs/dbraw/zinc/57/99/06/339579906.db2.gz RBVWWCWPYDTLEY-MRXNPFEDSA-N 2 0 322.468 3.997 20 0 DHADRP CC(C)(C[NH2+]C/C=C\c1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000480931067 339591130 /nfs/dbraw/zinc/59/11/30/339591130.db2.gz JUNXVWWQCLXMJV-WAYWQWQTSA-N 2 0 308.416 3.690 20 0 DHADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481714340 339610667 /nfs/dbraw/zinc/61/06/67/339610667.db2.gz FZWKVNRBPMJEQR-IBGZPJMESA-N 2 0 304.478 3.577 20 0 DHADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000482501310 339633615 /nfs/dbraw/zinc/63/36/15/339633615.db2.gz BPTXJUCGVJHDNI-ICSRJNTNSA-N 2 0 323.569 3.599 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000483730131 339672997 /nfs/dbraw/zinc/67/29/97/339672997.db2.gz NNKQCJLPFBYNCZ-FQEVSTJZSA-N 2 0 300.490 3.719 20 0 DHADRP Cc1[nH+]ccc(NC2CC[NH+](CC3CCCC3)CC2)c1Cl ZINC000486553291 339729100 /nfs/dbraw/zinc/72/91/00/339729100.db2.gz XMFONOFBCQBAAC-UHFFFAOYSA-N 2 0 307.869 3.532 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC000488418238 339780720 /nfs/dbraw/zinc/78/07/20/339780720.db2.gz SNWTWOVAKDULEG-QLFBSQMISA-N 2 0 300.556 3.863 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)ccc1F ZINC000488471300 339784478 /nfs/dbraw/zinc/78/44/78/339784478.db2.gz VXTHJJHOZIVQBJ-NVXWUHKLSA-N 2 0 324.509 3.897 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+](C)C)CCCO2 ZINC000489575364 339813175 /nfs/dbraw/zinc/81/31/75/339813175.db2.gz VSVPODUYUCEFCR-SFHVURJKSA-N 2 0 304.478 3.955 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)CN1C1CC1 ZINC000499671784 340042564 /nfs/dbraw/zinc/04/25/64/340042564.db2.gz QMFJKFUKQSMWOS-DGCLKSJQSA-N 2 0 313.272 3.751 20 0 DHADRP CCC[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000500646071 340064478 /nfs/dbraw/zinc/06/44/78/340064478.db2.gz DXJKBNQBTBUEGA-KURKYZTESA-N 2 0 303.494 3.880 20 0 DHADRP C[N@H+](CCCc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063732 340073464 /nfs/dbraw/zinc/07/34/64/340073464.db2.gz QSGOYNCUQIQRJL-UHFFFAOYSA-N 2 0 323.484 3.863 20 0 DHADRP CCCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000501091904 340074211 /nfs/dbraw/zinc/07/42/11/340074211.db2.gz IJAHALSJOCAGKR-UHFFFAOYSA-N 2 0 323.569 3.837 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000501416399 340080410 /nfs/dbraw/zinc/08/04/10/340080410.db2.gz DOWRCFNHCSSTCW-QZTJIDSGSA-N 2 0 318.505 3.822 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000501416401 340080563 /nfs/dbraw/zinc/08/05/63/340080563.db2.gz DOWRCFNHCSSTCW-ZWKOTPCHSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501770909 340088134 /nfs/dbraw/zinc/08/81/34/340088134.db2.gz QXONNGCSAKNPQM-HKUYNNGSSA-N 2 0 310.526 3.636 20 0 DHADRP CCC(CC)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCCC1 ZINC000502265805 340098060 /nfs/dbraw/zinc/09/80/60/340098060.db2.gz CIAFSYRZKWMERH-MOPGFXCFSA-N 2 0 322.537 3.826 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000502267717 340098233 /nfs/dbraw/zinc/09/82/33/340098233.db2.gz JLSCORDWBHTFDL-RLLQIKCJSA-N 2 0 316.489 3.685 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000502480982 340105545 /nfs/dbraw/zinc/10/55/45/340105545.db2.gz JOBAOSBEHSATKZ-RBUKOAKNSA-N 2 0 310.526 3.539 20 0 DHADRP C[N@@H+]1CCC[C@H]1CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073003 340120248 /nfs/dbraw/zinc/12/02/48/340120248.db2.gz FRCMUASFKHNQSL-SFHVURJKSA-N 2 0 310.441 3.789 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)CCO1 ZINC000503556104 340130309 /nfs/dbraw/zinc/13/03/09/340130309.db2.gz BGITWCLDPQEEIK-MKXGPGLRSA-N 2 0 310.526 3.682 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000504900023 340155271 /nfs/dbraw/zinc/15/52/71/340155271.db2.gz PZLOFGJNGBDITA-HOTGVXAUSA-N 2 0 322.468 3.997 20 0 DHADRP c1ccc(C([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000401059355 340161708 /nfs/dbraw/zinc/16/17/08/340161708.db2.gz IYRWOFMSHMQTHY-HSALFYBXSA-N 2 0 306.453 3.754 20 0 DHADRP CCCN(C)[C@@H](C[NH2+][C@@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609177 340197520 /nfs/dbraw/zinc/19/75/20/340197520.db2.gz BSSWUKYIUAPMSC-YOEHRIQHSA-N 2 0 312.885 3.738 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000506858332 340202890 /nfs/dbraw/zinc/20/28/90/340202890.db2.gz AOZAWJNTPAKAQZ-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000506869319 340203070 /nfs/dbraw/zinc/20/30/70/340203070.db2.gz YSIKBBAMDKATFL-NTMALXAHSA-N 2 0 316.489 3.762 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000506877108 340203084 /nfs/dbraw/zinc/20/30/84/340203084.db2.gz UGXJXHKBNSBFFD-AATRIKPKSA-N 2 0 304.453 3.893 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000507467136 340220958 /nfs/dbraw/zinc/22/09/58/340220958.db2.gz FASAILKKDRXBFI-MRXNPFEDSA-N 2 0 311.473 3.947 20 0 DHADRP FCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509375883 340267761 /nfs/dbraw/zinc/26/77/61/340267761.db2.gz XZDKLJTYQLVFSN-RBUKOAKNSA-N 2 0 304.453 3.723 20 0 DHADRP Cc1ncsc1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000509642209 340275307 /nfs/dbraw/zinc/27/53/07/340275307.db2.gz JOGJBADPGKXQHI-QGZVFWFLSA-N 2 0 321.534 3.582 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000510364353 340297048 /nfs/dbraw/zinc/29/70/48/340297048.db2.gz WBNBUQLZDAIVAL-JXFKEZNVSA-N 2 0 316.464 3.867 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393957 340297930 /nfs/dbraw/zinc/29/79/30/340297930.db2.gz HMQFTGNEXNRDMU-ATZDWAIDSA-N 2 0 302.437 3.619 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510669029 340305776 /nfs/dbraw/zinc/30/57/76/340305776.db2.gz KNAOHQSPIZJWJD-UXHICEINSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)CC3CCCC3)CC2)C1 ZINC000511036041 340318868 /nfs/dbraw/zinc/31/88/68/340318868.db2.gz ZOYLUUZXNXQFIV-NSISKUIASA-N 2 0 322.537 3.560 20 0 DHADRP COc1ccsc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512194956 340351785 /nfs/dbraw/zinc/35/17/85/340351785.db2.gz MKQJQIOPQOCDND-HZPDHXFCSA-N 2 0 322.518 3.843 20 0 DHADRP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+][C@H]2CC=CCC2)cc1 ZINC000512672686 340372342 /nfs/dbraw/zinc/37/23/42/340372342.db2.gz LUGCTFGNGQITLU-IVAOSVALSA-N 2 0 310.485 3.985 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000513207652 340397185 /nfs/dbraw/zinc/39/71/85/340397185.db2.gz CWLXIYUYQGLDEY-HKUYNNGSSA-N 2 0 322.537 3.704 20 0 DHADRP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513221008 340398036 /nfs/dbraw/zinc/39/80/36/340398036.db2.gz ASGSMFAAONUSFG-INIZCTEOSA-N 2 0 316.489 3.710 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000513334100 340402854 /nfs/dbraw/zinc/40/28/54/340402854.db2.gz DWPWOXDPUAKRDS-OYGLOCFBSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000513753103 340423370 /nfs/dbraw/zinc/42/33/70/340423370.db2.gz AFBLIDGUMKYABK-IYXRBSQSSA-N 2 0 312.404 3.811 20 0 DHADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000521833930 340535557 /nfs/dbraw/zinc/53/55/57/340535557.db2.gz IHPCXHPLLVWLAA-SDXDJHTJSA-N 2 0 324.468 3.820 20 0 DHADRP FC(F)Oc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193078488 340572132 /nfs/dbraw/zinc/57/21/32/340572132.db2.gz UFZWESCLBYAVCC-UHFFFAOYSA-N 2 0 324.415 3.596 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000227329584 340597957 /nfs/dbraw/zinc/59/79/57/340597957.db2.gz MSEVGFPOXISFBE-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CCc1ccc(CC[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000522447953 340601666 /nfs/dbraw/zinc/60/16/66/340601666.db2.gz HVCQLYINAUNXFK-UHFFFAOYSA-N 2 0 302.506 3.845 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530244689 340783547 /nfs/dbraw/zinc/78/35/47/340783547.db2.gz MRJUMWZWVOFBFK-MLHJIOFPSA-N 2 0 304.865 3.838 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125447720 340804253 /nfs/dbraw/zinc/80/42/53/340804253.db2.gz KFTDUFRNZCWXFA-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000541003529 340955561 /nfs/dbraw/zinc/95/55/61/340955561.db2.gz MVZPOIGKSOZJGO-QAPCUYQASA-N 2 0 304.478 3.763 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(s1)CCCC2 ZINC000130168831 341004209 /nfs/dbraw/zinc/00/42/09/341004209.db2.gz IAAJMFNEVPUGDD-NUEKZKHPSA-N 2 0 304.503 3.904 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC[C@@H]2CCCCO2)CC1)CC1CC1 ZINC000543442098 341044822 /nfs/dbraw/zinc/04/48/22/341044822.db2.gz YHVRHILBEXUDKM-FQEVSTJZSA-N 2 0 322.537 3.780 20 0 DHADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)Cc1ccccc1 ZINC000543447394 341045173 /nfs/dbraw/zinc/04/51/73/341045173.db2.gz HPLBQQGLRZCWCT-RBUKOAKNSA-N 2 0 302.506 3.967 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000130821982 341047868 /nfs/dbraw/zinc/04/78/68/341047868.db2.gz XBZNZLVHMKUPLU-UHFFFAOYSA-N 2 0 323.440 3.746 20 0 DHADRP C[C@@H](CC1CCCCC1)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000543632223 341052372 /nfs/dbraw/zinc/05/23/72/341052372.db2.gz YBXQPINUZLDMLC-KRWDZBQOSA-N 2 0 310.526 3.636 20 0 DHADRP c1ccc2c(c1)CC[C@H](C[NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC000543842185 341061350 /nfs/dbraw/zinc/06/13/50/341061350.db2.gz BGGPSYSMGPFQLK-SFHVURJKSA-N 2 0 312.501 3.742 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132103298 341116472 /nfs/dbraw/zinc/11/64/72/341116472.db2.gz HEWUHTJKLUMNPW-VKJFTORMSA-N 2 0 304.453 3.566 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000546227451 341157955 /nfs/dbraw/zinc/15/79/55/341157955.db2.gz XURZFWAAVCGQCZ-SFHVURJKSA-N 2 0 310.526 3.780 20 0 DHADRP FC(F)Oc1ccccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835846 341185332 /nfs/dbraw/zinc/18/53/32/341185332.db2.gz FVUCKXITUQUHRN-OAHLLOKOSA-N 2 0 324.415 3.596 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000134173335 341208418 /nfs/dbraw/zinc/20/84/18/341208418.db2.gz IRGXZWJLYJSTFR-UHFFFAOYSA-N 2 0 321.534 3.964 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000547396778 341210854 /nfs/dbraw/zinc/21/08/54/341210854.db2.gz OXXZLAHCXWMVLB-DZGCQCFKSA-N 2 0 314.395 3.568 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261539895 341282162 /nfs/dbraw/zinc/28/21/62/341282162.db2.gz DHLZCPCPUDBTOZ-MOPGFXCFSA-N 2 0 310.441 3.625 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000549141788 341287053 /nfs/dbraw/zinc/28/70/53/341287053.db2.gz KPXOUTCHWSLNBY-QGZVFWFLSA-N 2 0 309.457 3.774 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000549229156 341289241 /nfs/dbraw/zinc/28/92/41/341289241.db2.gz ROCLGJQNGAZNKS-VDGAXYAQSA-N 2 0 300.490 3.890 20 0 DHADRP CC(C)CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000549542129 341296936 /nfs/dbraw/zinc/29/69/36/341296936.db2.gz COZOZBCTJZPHCS-LMMKCTJWSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000549542130 341296972 /nfs/dbraw/zinc/29/69/72/341296972.db2.gz COZOZBCTJZPHCS-LNLFQRSKSA-N 2 0 310.526 3.680 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC000245509341 341298411 /nfs/dbraw/zinc/29/84/11/341298411.db2.gz UJNNPCSTSJMDIZ-CABCVRRESA-N 2 0 308.441 3.605 20 0 DHADRP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000549709711 341301042 /nfs/dbraw/zinc/30/10/42/341301042.db2.gz OWIUOYBROQJOKC-UHFFFAOYSA-N 2 0 302.849 4.000 20 0 DHADRP CC(C)COc1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000549821824 341304121 /nfs/dbraw/zinc/30/41/21/341304121.db2.gz GKDLEIYSAZMBOY-UHFFFAOYSA-N 2 0 318.505 3.885 20 0 DHADRP CC(C)OCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245765717 341314024 /nfs/dbraw/zinc/31/40/24/341314024.db2.gz WIZUSXAXAKJCCJ-OWZKRDHZSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275047 341314127 /nfs/dbraw/zinc/31/41/27/341314127.db2.gz OKTNYHNWNZSYTQ-WYURAEBNSA-N 2 0 313.272 3.637 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(C(F)(F)F)c2)C1 ZINC000550574267 341318727 /nfs/dbraw/zinc/31/87/27/341318727.db2.gz XTMIKBXBNRZARP-HOCLYGCPSA-N 2 0 312.379 3.622 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CCO1 ZINC000550789213 341322966 /nfs/dbraw/zinc/32/29/66/341322966.db2.gz VUUFLTSSQVUEPH-JYBIWHBTSA-N 2 0 316.489 3.617 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000550818340 341323520 /nfs/dbraw/zinc/32/35/20/341323520.db2.gz LEMVHNMMLVXZAC-IHPCNDPISA-N 2 0 317.521 3.532 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c(F)c1 ZINC000550882186 341325261 /nfs/dbraw/zinc/32/52/61/341325261.db2.gz JVSNVNWKOKNZIC-HNNXBMFYSA-N 2 0 308.441 3.751 20 0 DHADRP COc1ccc2ccccc2c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246117021 341327395 /nfs/dbraw/zinc/32/73/95/341327395.db2.gz KBYLXZRJIWXBJU-YLJYHZDGSA-N 2 0 324.468 3.765 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246162442 341330584 /nfs/dbraw/zinc/33/05/84/341330584.db2.gz LXCCQYDKTJXFBA-WFASDCNBSA-N 2 0 300.368 3.525 20 0 DHADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C[C@@H](C)O1 ZINC000551063017 341330661 /nfs/dbraw/zinc/33/06/61/341330661.db2.gz HKFYVNZSHOBVNJ-QWFCFKBJSA-N 2 0 320.521 3.697 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000551265705 341336105 /nfs/dbraw/zinc/33/61/05/341336105.db2.gz YRMTYADLXRGKKP-GDAAHCPNSA-N 2 0 304.453 3.625 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2(SC)CC2)CC1)CC1CC1 ZINC000564377769 341338110 /nfs/dbraw/zinc/33/81/10/341338110.db2.gz JEPBQTLQWCJDEW-UHFFFAOYSA-N 2 0 310.551 3.716 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000246439844 341348871 /nfs/dbraw/zinc/34/88/71/341348871.db2.gz OMSJOCFEYGPDNJ-WNHJNPCNSA-N 2 0 310.526 3.559 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261551713 341353382 /nfs/dbraw/zinc/35/33/82/341353382.db2.gz QVZDHBSFGFVLJM-OALUTQOASA-N 2 0 310.441 3.625 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000246956545 341359054 /nfs/dbraw/zinc/35/90/54/341359054.db2.gz IPAZFQAAFHKDOA-APWZRJJASA-N 2 0 318.530 3.727 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000246956917 341359063 /nfs/dbraw/zinc/35/90/63/341359063.db2.gz IQBIENKKSZQWOP-HUUCEWRRSA-N 2 0 308.441 3.605 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000247223260 341362452 /nfs/dbraw/zinc/36/24/52/341362452.db2.gz WOOCNMOPMGGXJZ-LMCOJAPRSA-N 2 0 316.489 3.535 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247223272 341362467 /nfs/dbraw/zinc/36/24/67/341362467.db2.gz WOOCNMOPMGGXJZ-NBYUQASBSA-N 2 0 316.489 3.535 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000552049455 341365022 /nfs/dbraw/zinc/36/50/22/341365022.db2.gz WBMAXRCAGWXRBB-QEJZJMRPSA-N 2 0 313.272 3.956 20 0 DHADRP CC1=CC[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000552116079 341370750 /nfs/dbraw/zinc/37/07/50/341370750.db2.gz NZOPNNGDCMHUMF-SFHVURJKSA-N 2 0 302.462 3.606 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000248006706 341372108 /nfs/dbraw/zinc/37/21/08/341372108.db2.gz KVNJUKOVUPEOPN-RHSMWYFYSA-N 2 0 324.921 3.848 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000248142541 341373894 /nfs/dbraw/zinc/37/38/94/341373894.db2.gz PVDJHTPQOWVRTA-AZUAARDMSA-N 2 0 324.468 3.635 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC1CC[NH+](C)CC1 ZINC000552252490 341381517 /nfs/dbraw/zinc/38/15/17/341381517.db2.gz PCYVXZPMOCVQDJ-CQSZACIVSA-N 2 0 310.432 3.607 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000249140989 341394497 /nfs/dbraw/zinc/39/44/97/341394497.db2.gz QDYNADIJCRNXBC-RRCSTGOVSA-N 2 0 314.395 3.651 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000249144410 341394668 /nfs/dbraw/zinc/39/46/68/341394668.db2.gz SRXFNZMLYHERSC-BPUTZDHNSA-N 2 0 314.395 3.652 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC000552536863 341397846 /nfs/dbraw/zinc/39/78/46/341397846.db2.gz XLPMXMYCSUBVMS-PKOBYXMFSA-N 2 0 310.526 3.683 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000555226684 341477667 /nfs/dbraw/zinc/47/76/67/341477667.db2.gz FLGIYKAHHJANTR-UXPWSPDFSA-N 2 0 300.490 3.890 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000555611874 341486933 /nfs/dbraw/zinc/48/69/33/341486933.db2.gz FNTUGVVSLLOCOE-HUUCEWRRSA-N 2 0 306.416 3.963 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000262365719 341520290 /nfs/dbraw/zinc/52/02/90/341520290.db2.gz WYDYIBZBISHSSF-UHFFFAOYSA-N 2 0 319.474 3.533 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000565732026 341536446 /nfs/dbraw/zinc/53/64/46/341536446.db2.gz DHRWHOYQNFDKPV-GOSISDBHSA-N 2 0 318.509 3.743 20 0 DHADRP CCO[C@@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000155687771 341611378 /nfs/dbraw/zinc/61/13/78/341611378.db2.gz ZSJZVGSCGXCWNX-IBGZPJMESA-N 2 0 310.526 3.824 20 0 DHADRP CCO[C@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000155687879 341611428 /nfs/dbraw/zinc/61/14/28/341611428.db2.gz ZSJZVGSCGXCWNX-LJQANCHMSA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000567662303 341625392 /nfs/dbraw/zinc/62/53/92/341625392.db2.gz BZQFEAMBOXHJHX-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)c2cccc(Br)c21 ZINC000572951344 341710786 /nfs/dbraw/zinc/71/07/86/341710786.db2.gz FYUVKIBJKWCCIS-ABAIWWIYSA-N 2 0 323.278 3.587 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000574816950 341769837 /nfs/dbraw/zinc/76/98/37/341769837.db2.gz XZOXUWAXBAFXMS-GOSISDBHSA-N 2 0 306.881 3.593 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C)cc2Cl)CC[NH+](C)CC1 ZINC000577114398 341887106 /nfs/dbraw/zinc/88/71/06/341887106.db2.gz HQVLGCBDJOCDMU-UHFFFAOYSA-N 2 0 312.910 3.565 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000337329232 519770753 /nfs/dbraw/zinc/77/07/53/519770753.db2.gz FRKFVPIJTIAABZ-QGZVFWFLSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000337327324 519772726 /nfs/dbraw/zinc/77/27/26/519772726.db2.gz DDCQIJRQSRCBOE-OHSMVPPVSA-N 2 0 316.489 3.585 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941408 519820799 /nfs/dbraw/zinc/82/07/99/519820799.db2.gz SZFIGZMWXGUUOO-UGSOOPFHSA-N 2 0 308.416 3.736 20 0 DHADRP CC[NH+](CC)Cc1ccc(NC2CC[NH+](C(C)C)CC2)cc1 ZINC000191584824 520752958 /nfs/dbraw/zinc/75/29/58/520752958.db2.gz ORLLSDDKJVTBKH-UHFFFAOYSA-N 2 0 303.494 3.813 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337340751 521008544 /nfs/dbraw/zinc/00/85/44/521008544.db2.gz PRUSWGSSVHNDOC-QUCCMNQESA-N 2 0 315.505 3.819 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000365051600 521645040 /nfs/dbraw/zinc/64/50/40/521645040.db2.gz GAZZORHKXKSXIX-OQUMVOOASA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000163309038 521711398 /nfs/dbraw/zinc/71/13/98/521711398.db2.gz DQIYUTKUQWSUAG-STQMWFEESA-N 2 0 316.367 3.578 20 0 DHADRP CCc1cccc2c(CC[NH2+]C3CC[NH+](C(C)C)CC3)c[nH]c21 ZINC000161817145 521792371 /nfs/dbraw/zinc/79/23/71/521792371.db2.gz MXLJJWYTEBKUMB-UHFFFAOYSA-N 2 0 313.489 3.735 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)c1 ZINC000190728571 521923504 /nfs/dbraw/zinc/92/35/04/521923504.db2.gz FZPJEBYGGZDEED-UHFFFAOYSA-N 2 0 324.468 3.827 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337343675 522050102 /nfs/dbraw/zinc/05/01/02/522050102.db2.gz SKSVVZVEQXXIFI-DSLXNQLJSA-N 2 0 301.478 3.570 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCCC1 ZINC000337264886 524048076 /nfs/dbraw/zinc/04/80/76/524048076.db2.gz STOKZOJUDRTQMQ-MJGOQNOKSA-N 2 0 315.505 3.819 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[NH+]1CCCCC1 ZINC000337270814 524196147 /nfs/dbraw/zinc/19/61/47/524196147.db2.gz ZZAYZURQXVBZRN-WSTZPKSXSA-N 2 0 315.505 3.962 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1 ZINC000130315614 524807941 /nfs/dbraw/zinc/80/79/41/524807941.db2.gz YKQFTJCDQCTQNA-SLEUVZQESA-N 2 0 308.516 3.747 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226331945 524859663 /nfs/dbraw/zinc/85/96/63/524859663.db2.gz KCZVPSFPMRDSSZ-OBJOEFQTSA-N 2 0 300.368 3.826 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000162523853 524876070 /nfs/dbraw/zinc/87/60/70/524876070.db2.gz XDPVXSVLDMDGOL-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP C[C@H]([NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000156773168 525299984 /nfs/dbraw/zinc/29/99/84/525299984.db2.gz NHMAGWVIZNLNQQ-YQMJFVBQSA-N 2 0 323.484 3.889 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccn1 ZINC000158890469 525426127 /nfs/dbraw/zinc/42/61/27/525426127.db2.gz QZGZRDYVUKQQNQ-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP CSC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180146760 525692459 /nfs/dbraw/zinc/69/24/59/525692459.db2.gz XGMFESZGHSNUGF-MIGBEJBISA-N 2 0 304.503 3.523 20 0 DHADRP C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325302 526064242 /nfs/dbraw/zinc/06/42/42/526064242.db2.gz YTJFZQUQWXIAOQ-STQMWFEESA-N 2 0 311.267 3.571 20 0 DHADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CCCCC[NH+]3CCCC3)C2)c1 ZINC000339504969 526550571 /nfs/dbraw/zinc/55/05/71/526550571.db2.gz NAYXUWRVHPJUCM-AZUAARDMSA-N 2 0 315.505 3.964 20 0 DHADRP C[N@H+](Cc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285547678 536464247 /nfs/dbraw/zinc/46/42/47/536464247.db2.gz QLINJXXBRSKHCV-XYPWUTKMSA-N 2 0 323.278 3.506 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC000158574170 527306421 /nfs/dbraw/zinc/30/64/21/527306421.db2.gz KKBRRFFBBRLAJZ-HRCADAONSA-N 2 0 318.509 3.502 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000284586505 534945427 /nfs/dbraw/zinc/94/54/27/534945427.db2.gz ZMFORDMIVSEAQW-WOUAJJJCSA-N 2 0 316.489 3.509 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000281040367 536547144 /nfs/dbraw/zinc/54/71/44/536547144.db2.gz ZHXWVWWSKSXYAW-HXUWFJFHSA-N 2 0 318.505 3.517 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(C)c1 ZINC000286041367 535894954 /nfs/dbraw/zinc/89/49/54/535894954.db2.gz KNWLZEZQJYWILX-IBGZPJMESA-N 2 0 304.478 3.537 20 0 DHADRP CC[NH+](CC)C1CCN(c2[nH+]ccc3cc(OC)ccc32)CC1 ZINC001165053177 722001256 /nfs/dbraw/zinc/00/12/56/722001256.db2.gz KEOJRMCDKIZCCC-UHFFFAOYSA-N 2 0 313.445 3.554 20 0 DHADRP CCCOC1CCC([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001173090142 1033520439 /nfs/dbraw/zinc/52/04/39/1033520439.db2.gz STOWOJFDPGPXDA-AFNJWWOFSA-N 2 0 310.526 3.858 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180448193 1013091268 /nfs/dbraw/zinc/09/12/68/1013091268.db2.gz HNJGNAFFJRMBGM-OAQYLSRUSA-N 2 0 323.484 3.883 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000518164273 1013139860 /nfs/dbraw/zinc/13/98/60/1013139860.db2.gz IBHHVWGTYYTXPF-CYBMUJFWSA-N 2 0 302.384 3.616 20 0 DHADRP CCC[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000037538864 1013182329 /nfs/dbraw/zinc/18/23/29/1013182329.db2.gz CNQNGBSSJFTCDS-UHFFFAOYSA-N 2 0 300.368 3.669 20 0 DHADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048074 1013195713 /nfs/dbraw/zinc/19/57/13/1013195713.db2.gz DWXMXTWDCRYYGZ-MRXNPFEDSA-N 2 0 305.466 3.606 20 0 DHADRP Cc1cc(F)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964453 1013215304 /nfs/dbraw/zinc/21/53/04/1013215304.db2.gz QLBMOJJMNRBOSB-YQQQUEKLSA-N 2 0 316.464 3.938 20 0 DHADRP Cc1ccccc1[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccncc1 ZINC001168290803 1032071264 /nfs/dbraw/zinc/07/12/64/1032071264.db2.gz ZHEVCCUHCCXEHI-GZNCHQMQSA-N 2 0 323.484 3.942 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000518959604 1013250653 /nfs/dbraw/zinc/25/06/53/1013250653.db2.gz AZLKTFLDHDBUBJ-OAHLLOKOSA-N 2 0 300.368 3.746 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]CCCc2ccc(F)c(F)c2)CC1 ZINC001206857574 1013312115 /nfs/dbraw/zinc/31/21/15/1013312115.db2.gz UWYQAUYJMOIVHR-UHFFFAOYSA-N 2 0 324.459 3.998 20 0 DHADRP Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001203388428 1013329699 /nfs/dbraw/zinc/32/96/99/1013329699.db2.gz UWFIMXFYOBIXRL-HNNXBMFYSA-N 2 0 302.805 3.697 20 0 DHADRP Fc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C1CC1 ZINC001204742402 1013345499 /nfs/dbraw/zinc/34/54/99/1013345499.db2.gz MYLCTVNOBPUTGF-UHFFFAOYSA-N 2 0 302.437 3.669 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000398122718 1013359385 /nfs/dbraw/zinc/35/93/85/1013359385.db2.gz HIUKNIVVMFAUCV-QRQLOZEOSA-N 2 0 318.530 3.772 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3s1)C2 ZINC001279402567 1013360887 /nfs/dbraw/zinc/36/08/87/1013360887.db2.gz HELVPCWYUFBBKN-SFHVURJKSA-N 2 0 300.471 3.819 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124351651 1013427709 /nfs/dbraw/zinc/42/77/09/1013427709.db2.gz YFYMBTDVQYAAAA-SJORKVTESA-N 2 0 316.489 3.856 20 0 DHADRP c1ccc2c(c1)CC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167977351 1013456509 /nfs/dbraw/zinc/45/65/09/1013456509.db2.gz BJBKKUASEOWCBO-UMQXSMKFSA-N 2 0 310.485 3.711 20 0 DHADRP C[C@@H]1SCC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC000340372233 1013524447 /nfs/dbraw/zinc/52/44/47/1013524447.db2.gz WLRUNVNIGNSZDS-RYQLBKOJSA-N 2 0 304.503 3.649 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000124389143 1013591470 /nfs/dbraw/zinc/59/14/70/1013591470.db2.gz LEDJNWZSBQKCLU-TZMCWYRMSA-N 2 0 321.534 3.884 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccnc1Cl ZINC000247228435 1013626165 /nfs/dbraw/zinc/62/61/65/1013626165.db2.gz YCYHUUVNJLQDST-LSDHHAIUSA-N 2 0 309.885 3.898 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000655700602 1013650905 /nfs/dbraw/zinc/65/09/05/1013650905.db2.gz JHVORDYQLMREJA-YJBOKZPZSA-N 2 0 306.519 3.901 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000655700601 1013651458 /nfs/dbraw/zinc/65/14/58/1013651458.db2.gz JHVORDYQLMREJA-QAPCUYQASA-N 2 0 306.519 3.901 20 0 DHADRP CCCc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000655703589 1013654601 /nfs/dbraw/zinc/65/46/01/1013654601.db2.gz IRAQDGVYPGUOFE-UZLBHIALSA-N 2 0 316.489 3.543 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[C@@H](C)SC3)CC2)CC1 ZINC000655737342 1013674797 /nfs/dbraw/zinc/67/47/97/1013674797.db2.gz LYKQHXWWPPHDMQ-RZZCCWGQSA-N 2 0 310.551 3.903 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655757630 1013693896 /nfs/dbraw/zinc/69/38/96/1013693896.db2.gz VQCGOOSWDNOBRR-QWFCFKBJSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000655804310 1013728110 /nfs/dbraw/zinc/72/81/10/1013728110.db2.gz TXMWVRQPOMSPCQ-WCZJQEMASA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000655806170 1013728351 /nfs/dbraw/zinc/72/83/51/1013728351.db2.gz QGTWQVQVUZACGJ-OSAQELSMSA-N 2 0 310.894 3.807 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000655805893 1013728548 /nfs/dbraw/zinc/72/85/48/1013728548.db2.gz UJLLLVCISUEOPY-TYPHKJRUSA-N 2 0 308.469 3.900 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000121591968 1013723688 /nfs/dbraw/zinc/72/36/88/1013723688.db2.gz COLHLSLVUFHQCH-LPHOPBHVSA-N 2 0 324.468 3.618 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1nc(-c2ccccc2)cs1 ZINC000655806275 1013727739 /nfs/dbraw/zinc/72/77/39/1013727739.db2.gz TZUGARQWMLCFQW-FMKPAKJESA-N 2 0 315.486 3.801 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417318972 1013737733 /nfs/dbraw/zinc/73/77/33/1013737733.db2.gz ZXBUSVXVFPWYAC-WCXIOVBPSA-N 2 0 306.519 3.950 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)C1 ZINC000655826024 1013746324 /nfs/dbraw/zinc/74/63/24/1013746324.db2.gz CTQYNLDOXIVRJS-OKILXGFUSA-N 2 0 302.393 3.516 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000655826457 1013746894 /nfs/dbraw/zinc/74/68/94/1013746894.db2.gz WNGMRXASQXMOPQ-BGYRXZFFSA-N 2 0 324.468 3.695 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cc2ccnc(Cl)c2s1)C1CC1 ZINC000894967049 1013755066 /nfs/dbraw/zinc/75/50/66/1013755066.db2.gz NLZXPKUXXWHPQH-UHFFFAOYSA-N 2 0 323.893 3.914 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000261949641 1013823633 /nfs/dbraw/zinc/82/36/33/1013823633.db2.gz MUIKCGDGAWXEDK-UHFFFAOYSA-N 2 0 319.474 3.533 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000655941637 1013839374 /nfs/dbraw/zinc/83/93/74/1013839374.db2.gz YBTZQMNFBZQDTP-PKOBYXMFSA-N 2 0 316.489 3.783 20 0 DHADRP Cc1c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cnn1C(C)(C)C ZINC000340473435 1013845051 /nfs/dbraw/zinc/84/50/51/1013845051.db2.gz CKFAIPXAAAQJLU-INIZCTEOSA-N 2 0 320.525 3.863 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340477994 1013859975 /nfs/dbraw/zinc/85/99/75/1013859975.db2.gz PCIOIZLTEJBSDJ-HNNXBMFYSA-N 2 0 307.507 3.685 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000122323467 1013964239 /nfs/dbraw/zinc/96/42/39/1013964239.db2.gz ZAADYTNDQSGKCG-PBHICJAKSA-N 2 0 322.880 3.794 20 0 DHADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000580136059 1014041405 /nfs/dbraw/zinc/04/14/05/1014041405.db2.gz GOZBZTPYQYFJLN-WOGUSJMUSA-N 2 0 302.506 3.928 20 0 DHADRP CCCC[NH+](CCCC)CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297918 1032081517 /nfs/dbraw/zinc/08/15/17/1032081517.db2.gz OCOJRORSWPAYRZ-UHFFFAOYSA-N 3 0 311.558 3.741 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000656193175 1014101810 /nfs/dbraw/zinc/10/18/10/1014101810.db2.gz WULPGBZGMDTTEP-RTWAWAEBSA-N 2 0 324.468 3.763 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000565638663 1014105319 /nfs/dbraw/zinc/10/53/19/1014105319.db2.gz QAHMNPNQQKVBRF-UXPWSPDFSA-N 2 0 318.505 3.817 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000398043751 1014116756 /nfs/dbraw/zinc/11/67/56/1014116756.db2.gz QNVGXPISMYGWGF-UZLBHIALSA-N 2 0 312.432 3.826 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000580475393 1014158855 /nfs/dbraw/zinc/15/88/55/1014158855.db2.gz SXHUYWZMDCOONU-OALUTQOASA-N 2 0 304.478 3.541 20 0 DHADRP [NH3+]CC[C@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000262010508 1014267463 /nfs/dbraw/zinc/26/74/63/1014267463.db2.gz WHBMAOGUNGLBPM-OAHLLOKOSA-N 2 0 319.836 3.698 20 0 DHADRP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)C ZINC000580695193 1014293874 /nfs/dbraw/zinc/29/38/74/1014293874.db2.gz VAYHAHQKUYAHRL-KRWDZBQOSA-N 2 0 312.542 3.926 20 0 DHADRP Fc1cccc2c1CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168001993 1014308005 /nfs/dbraw/zinc/30/80/05/1014308005.db2.gz BKJLBFFFGSPFEL-JWTNVVGKSA-N 2 0 314.448 3.589 20 0 DHADRP c1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccnc2c1 ZINC000665239227 1014513403 /nfs/dbraw/zinc/51/34/03/1014513403.db2.gz OEOCUGBXSHCATC-HMXCVIKNSA-N 2 0 323.484 3.678 20 0 DHADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000427690479 1014515221 /nfs/dbraw/zinc/51/52/21/1014515221.db2.gz OMDLCMKSUOLSHX-UXHICEINSA-N 2 0 302.506 3.964 20 0 DHADRP C[C@H]1CC([NH2+]CCc2ccco2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168010496 1014526020 /nfs/dbraw/zinc/52/60/20/1014526020.db2.gz JSPXVTBUSKXMCN-IRXDYDNUSA-N 2 0 312.457 3.853 20 0 DHADRP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC2CCC2)cc1 ZINC000656410585 1014580683 /nfs/dbraw/zinc/58/06/83/1014580683.db2.gz XFLNZHOXIKWILI-WOZUAGRISA-N 2 0 310.485 3.629 20 0 DHADRP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000317511790 1014598853 /nfs/dbraw/zinc/59/88/53/1014598853.db2.gz NJCHZHYGSSRIPW-GJZGRUSLSA-N 2 0 315.848 3.605 20 0 DHADRP FC1(F)CC12CCC([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC2 ZINC000665274729 1014637374 /nfs/dbraw/zinc/63/73/74/1014637374.db2.gz XFULFSMLLUZTLJ-ILZRDFNYSA-N 2 0 312.448 3.855 20 0 DHADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C(c1ccccc1)c1ccccc1 ZINC000665277553 1014652817 /nfs/dbraw/zinc/65/28/17/1014652817.db2.gz FIIUXVXJYLUFER-BQJIDLTASA-N 2 0 306.453 3.549 20 0 DHADRP Clc1ccc([C@@H](NCC23CC(C2)C[NH2+]3)C2CC2)cc1Cl ZINC000665279165 1014657018 /nfs/dbraw/zinc/65/70/18/1014657018.db2.gz YFQVBPXRCAOTSS-NWWFGRIYSA-N 2 0 311.256 3.786 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000665280815 1014669932 /nfs/dbraw/zinc/66/99/32/1014669932.db2.gz MHBGIPGSKYHAME-MELADBBJSA-N 2 0 305.491 3.751 20 0 DHADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000569338866 1014673062 /nfs/dbraw/zinc/67/30/62/1014673062.db2.gz UNGDNWIDXQWELC-YJBOKZPZSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCC(C2CCC2)CC1 ZINC000665284036 1014679387 /nfs/dbraw/zinc/67/93/87/1014679387.db2.gz ZHTYYDSALVGGPH-NVPAJSRCSA-N 2 0 301.478 3.858 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C(C)(C)C ZINC000442777565 1014729371 /nfs/dbraw/zinc/72/93/71/1014729371.db2.gz GGFGKYJBWMEYQD-IFXJQAMLSA-N 2 0 313.489 3.591 20 0 DHADRP FC(F)C1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000442863233 1014751405 /nfs/dbraw/zinc/75/14/05/1014751405.db2.gz QQXHQJVTSSMSHI-WWDZGPRUSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@@H]1C[C@H](NCc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000090720732 1014763199 /nfs/dbraw/zinc/76/31/99/1014763199.db2.gz KXIPUESSAHIOJX-ZWNOBZJWSA-N 2 0 318.795 3.514 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000442928511 1014771671 /nfs/dbraw/zinc/77/16/71/1014771671.db2.gz POXNJBWAELLYIU-AWEZNQCLSA-N 2 0 302.393 3.647 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000442918584 1014772565 /nfs/dbraw/zinc/77/25/65/1014772565.db2.gz HLORJJKHVADIMV-NSHDSACASA-N 2 0 320.786 3.920 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000442933028 1014773415 /nfs/dbraw/zinc/77/34/15/1014773415.db2.gz ZJLBKXVIGKLSTI-HNNXBMFYSA-N 2 0 321.896 3.501 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000443066898 1014797610 /nfs/dbraw/zinc/79/76/10/1014797610.db2.gz FUVPAHOGWILLCH-CYBMUJFWSA-N 2 0 319.449 3.510 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccccc12 ZINC000092043665 1014806366 /nfs/dbraw/zinc/80/63/66/1014806366.db2.gz CCEBBDNPPDKOID-XLIONFOSSA-N 2 0 324.468 3.765 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000191078829 1014840310 /nfs/dbraw/zinc/84/03/10/1014840310.db2.gz JWMPYINOKZBZMB-CQSZACIVSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1cnc(CNc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1C ZINC000341152141 1014938486 /nfs/dbraw/zinc/93/84/86/1014938486.db2.gz VNKWPMLSGHWHLA-OAHLLOKOSA-N 2 0 312.461 3.715 20 0 DHADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000443648401 1015069602 /nfs/dbraw/zinc/06/96/02/1015069602.db2.gz YSFOCVFVUZMPID-AZUAARDMSA-N 2 0 320.521 3.556 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000341280514 1015132074 /nfs/dbraw/zinc/13/20/74/1015132074.db2.gz VKKBALIDOXMMJX-SJLPKXTDSA-N 2 0 316.489 3.828 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656783616 1015148403 /nfs/dbraw/zinc/14/84/03/1015148403.db2.gz RIMDKEYHXYWJAY-LJQANCHMSA-N 2 0 316.489 3.557 20 0 DHADRP CSc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784898 1015158600 /nfs/dbraw/zinc/15/86/00/1015158600.db2.gz IAJPEEFXXZVODS-KRWDZBQOSA-N 2 0 304.503 3.620 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc2cccnc12 ZINC000656786610 1015158213 /nfs/dbraw/zinc/15/82/13/1015158213.db2.gz OHACCQDEYLDCSO-HXUWFJFHSA-N 2 0 323.484 3.755 20 0 DHADRP CSc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786677 1015158892 /nfs/dbraw/zinc/15/88/92/1015158892.db2.gz WHQIAJHULYALOD-QGZVFWFLSA-N 2 0 304.503 3.620 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)c1 ZINC000684370935 1015176559 /nfs/dbraw/zinc/17/65/59/1015176559.db2.gz HTMIQMHSEMPECL-RBUKOAKNSA-N 2 0 304.478 3.576 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000684374486 1015187962 /nfs/dbraw/zinc/18/79/62/1015187962.db2.gz QQMACIUERYGANB-SJORKVTESA-N 2 0 322.518 3.507 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000684374484 1015188770 /nfs/dbraw/zinc/18/87/70/1015188770.db2.gz QQMACIUERYGANB-IAGOWNOFSA-N 2 0 322.518 3.507 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000474463718 1015380187 /nfs/dbraw/zinc/38/01/87/1015380187.db2.gz FZNAKTPYZKQONN-HZPDHXFCSA-N 2 0 322.493 3.516 20 0 DHADRP CCCC[C@@H](CO)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168036359 1015412004 /nfs/dbraw/zinc/41/20/04/1015412004.db2.gz WCOOUWFAUMPCPA-LMMKCTJWSA-N 2 0 318.505 3.569 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000341484966 1015419785 /nfs/dbraw/zinc/41/97/85/1015419785.db2.gz VNTACTUVYDSJGA-INIZCTEOSA-N 2 0 320.440 3.859 20 0 DHADRP Cc1nccn1CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474596471 1015472477 /nfs/dbraw/zinc/47/24/77/1015472477.db2.gz KMHINDOUDJZGSK-WCFLWFBJSA-N 2 0 309.866 3.688 20 0 DHADRP C[C@H]1CC([N@@H+]2CCCO[C@H](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168040985 1015544746 /nfs/dbraw/zinc/54/47/46/1015544746.db2.gz PQJVQZBNHANEQB-OKZBNKHCSA-N 2 0 316.489 3.539 20 0 DHADRP C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)[C@H](C)C1CCCCC1 ZINC000474729496 1015567780 /nfs/dbraw/zinc/56/77/80/1015567780.db2.gz WRLHANLTDIKXHO-ZWKOTPCHSA-N 2 0 322.537 3.826 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000453409035 1015584697 /nfs/dbraw/zinc/58/46/97/1015584697.db2.gz GZRWSBOZIAJZAC-WDSOQIARSA-N 2 0 316.489 3.617 20 0 DHADRP Cc1ccc(CCC[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000474935612 1015717753 /nfs/dbraw/zinc/71/77/53/1015717753.db2.gz UBOBLURSHYQCQI-UHFFFAOYSA-N 2 0 317.521 3.957 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000684556845 1015732533 /nfs/dbraw/zinc/73/25/33/1015732533.db2.gz CKTWNHGVCVLDNM-YLJYHZDGSA-N 2 0 323.484 3.871 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(C2CC2)ccc1F ZINC000581997059 1015772349 /nfs/dbraw/zinc/77/23/49/1015772349.db2.gz LRLDDJLGBQMQIA-GFCCVEGCSA-N 2 0 313.420 3.716 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CCCc3c(F)cccc3F)C2)CC1 ZINC000846889258 1032128241 /nfs/dbraw/zinc/12/82/41/1032128241.db2.gz AWVMAKFHUPVHRX-UHFFFAOYSA-N 2 0 322.443 3.705 20 0 DHADRP CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000153973150 1015826631 /nfs/dbraw/zinc/82/66/31/1015826631.db2.gz UUJUHLBJAWKLEB-QAPCUYQASA-N 2 0 304.478 3.856 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684614336 1015910440 /nfs/dbraw/zinc/91/04/40/1015910440.db2.gz VHGBHJFTLJQWOU-RBUKOAKNSA-N 2 0 321.553 3.517 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000396422886 1015964403 /nfs/dbraw/zinc/96/44/03/1015964403.db2.gz AGTVWRGFCGMMPY-LLVKDONJSA-N 2 0 301.261 3.813 20 0 DHADRP CCSC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001173291406 1033682640 /nfs/dbraw/zinc/68/26/40/1033682640.db2.gz NBPQYVRNCLQHHD-INIZCTEOSA-N 2 0 306.519 3.630 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000657335222 1016359781 /nfs/dbraw/zinc/35/97/81/1016359781.db2.gz NNSZUMOJIGNFET-QGZVFWFLSA-N 2 0 304.478 3.604 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000387256089 1016404567 /nfs/dbraw/zinc/40/45/67/1016404567.db2.gz MSCWPQSDOMAAIT-ROUUACIJSA-N 2 0 308.510 3.722 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000346694560 1016509265 /nfs/dbraw/zinc/50/92/65/1016509265.db2.gz UXDXGSOVKRNWET-UHFFFAOYSA-N 2 0 321.515 3.693 20 0 DHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346695207 1016509459 /nfs/dbraw/zinc/50/94/59/1016509459.db2.gz YWLYETHGFKMFIH-MRXNPFEDSA-N 2 0 320.868 3.535 20 0 DHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000346692893 1016510115 /nfs/dbraw/zinc/51/01/15/1016510115.db2.gz JOSWUGCDDUNGPB-MRXNPFEDSA-N 2 0 305.853 3.693 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000657375224 1016525826 /nfs/dbraw/zinc/52/58/26/1016525826.db2.gz FLSSCCSBIUNUHV-DYVFJYSZSA-N 2 0 315.486 3.691 20 0 DHADRP O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000475049716 1016576007 /nfs/dbraw/zinc/57/60/07/1016576007.db2.gz ZFUASGISYZDGPJ-PMACEKPBSA-N 2 0 322.537 3.516 20 0 DHADRP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ncc(C[NH3+])s2)cc1 ZINC000629707013 1016587510 /nfs/dbraw/zinc/58/75/10/1016587510.db2.gz FVOSGVWJVCPHBW-HNNXBMFYSA-N 2 0 301.459 3.643 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1OC ZINC000152398054 1016589997 /nfs/dbraw/zinc/58/99/97/1016589997.db2.gz BYQIEFOHXUWCAU-CXAGYDPISA-N 2 0 322.880 3.874 20 0 DHADRP C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)[C@H]([NH3+])CSC3)cc1F ZINC000629738349 1016635628 /nfs/dbraw/zinc/63/56/28/1016635628.db2.gz UBBRDRQTCMSDDQ-DYZYQPBXSA-N 2 0 302.418 3.759 20 0 DHADRP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379892853 1016681091 /nfs/dbraw/zinc/68/10/91/1016681091.db2.gz FMCQLLNKKLGBTM-DYESRHJHSA-N 2 0 320.480 3.654 20 0 DHADRP Cc1sccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336704798 1016700467 /nfs/dbraw/zinc/70/04/67/1016700467.db2.gz HKWHLSCXNLCXTR-KRWDZBQOSA-N 2 0 300.471 3.668 20 0 DHADRP CSC1(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000336720552 1016704722 /nfs/dbraw/zinc/70/47/22/1016704722.db2.gz UFUCBCQEYNWALN-SFHVURJKSA-N 2 0 318.530 3.774 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000347075619 1016719249 /nfs/dbraw/zinc/71/92/49/1016719249.db2.gz ULVHTKSVBLEJGM-UHFFFAOYSA-N 2 0 307.507 3.622 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000347063747 1016719749 /nfs/dbraw/zinc/71/97/49/1016719749.db2.gz CRFFMOLPMMFENG-MJGOQNOKSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402953573 1016735340 /nfs/dbraw/zinc/73/53/40/1016735340.db2.gz TUBKLRMJGGEEGT-NOLJZWGESA-N 2 0 323.278 3.571 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000379968385 1016977653 /nfs/dbraw/zinc/97/76/53/1016977653.db2.gz MJKCDGPVVWIXEC-PMACEKPBSA-N 2 0 324.468 3.668 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccncc2Cl)C1 ZINC000623358760 1016985271 /nfs/dbraw/zinc/98/52/71/1016985271.db2.gz QTYVRLMAPQGFGL-HUUCEWRRSA-N 2 0 309.885 3.583 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475122981 1016983994 /nfs/dbraw/zinc/98/39/94/1016983994.db2.gz VUYVKUZFVLSALC-MRXNPFEDSA-N 2 0 304.453 3.707 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000119955508 1016987865 /nfs/dbraw/zinc/98/78/65/1016987865.db2.gz AANYHKAVQXBHIR-CVEARBPZSA-N 2 0 320.477 3.619 20 0 DHADRP C[N@@H+]1CC[C@H](NCc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623376917 1017002203 /nfs/dbraw/zinc/00/22/03/1017002203.db2.gz HOGHWGBKZCRGKR-LBPRGKRZSA-N 2 0 323.893 3.912 20 0 DHADRP CCCOc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000657492379 1017026713 /nfs/dbraw/zinc/02/67/13/1017026713.db2.gz VBGCSKXSWNENJQ-QGZVFWFLSA-N 2 0 304.478 3.605 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)c[nH]c21 ZINC000623413865 1017031553 /nfs/dbraw/zinc/03/15/53/1017031553.db2.gz KVWCOQRIIPWZOZ-QGZVFWFLSA-N 2 0 313.489 3.735 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000121261093 1017049227 /nfs/dbraw/zinc/04/92/27/1017049227.db2.gz MJBKLBNBWQWCGB-UHFFFAOYSA-N 2 0 314.395 3.712 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444552 1017049528 /nfs/dbraw/zinc/04/95/28/1017049528.db2.gz KOCYSOSTJHQNSF-AEFFLSMTSA-N 2 0 315.505 3.810 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623481298 1017064140 /nfs/dbraw/zinc/06/41/40/1017064140.db2.gz ZEMPLEVGCQQAQO-KRWDZBQOSA-N 2 0 304.453 3.611 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2(Cc3ccccc3F)CCC2)CC1 ZINC001168306346 1032154452 /nfs/dbraw/zinc/15/44/52/1032154452.db2.gz XDNNVGXYQGCIEZ-UHFFFAOYSA-N 2 0 304.453 3.753 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000361927169 1032157410 /nfs/dbraw/zinc/15/74/10/1032157410.db2.gz RSIXYTVXOTWHIS-IAGOWNOFSA-N 2 0 312.885 3.738 20 0 DHADRP CC(C)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657538008 1017231192 /nfs/dbraw/zinc/23/11/92/1017231192.db2.gz WCXLJBQRROJRPA-OALUTQOASA-N 2 0 322.537 3.682 20 0 DHADRP FC1(F)[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC001168311400 1032194786 /nfs/dbraw/zinc/19/47/86/1032194786.db2.gz ZHRAZYMEBMRKDJ-MSOLQXFVSA-N 2 0 320.427 3.760 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)CC1CC[NH2+]CC1 ZINC001246680521 1032202776 /nfs/dbraw/zinc/20/27/76/1032202776.db2.gz KFANPQVCRYVEEX-GFCCVEGCSA-N 2 0 315.288 3.856 20 0 DHADRP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000294999553 1032241150 /nfs/dbraw/zinc/24/11/50/1032241150.db2.gz LXQBBCMQFDVRLK-VGWMRTNUSA-N 2 0 304.865 3.802 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001168323094 1032263219 /nfs/dbraw/zinc/26/32/19/1032263219.db2.gz QEIRPSPGWXWPRI-UHFFFAOYSA-N 2 0 316.489 3.650 20 0 DHADRP COc1cccc([C@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)c1 ZINC001168328127 1032297798 /nfs/dbraw/zinc/29/77/98/1032297798.db2.gz WNNAVEUREIQBJV-FAFZWHIHSA-N 2 0 302.462 3.705 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000179634672 1017276907 /nfs/dbraw/zinc/27/69/07/1017276907.db2.gz BVDZFKIDPVYDMB-OAHLLOKOSA-N 2 0 300.471 3.799 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000475214606 1017087019 /nfs/dbraw/zinc/08/70/19/1017087019.db2.gz JKLMFFTVDRKWOZ-UKRRQHHQSA-N 2 0 300.437 3.664 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000121715581 1032468241 /nfs/dbraw/zinc/46/82/41/1032468241.db2.gz IYPMBDIJBCIPEL-MRXNPFEDSA-N 2 0 304.478 3.776 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000092043453 1032471455 /nfs/dbraw/zinc/47/14/55/1032471455.db2.gz VOWSEDKWVPMIGC-FPOVZHCZSA-N 2 0 321.468 3.665 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000684955870 1017093927 /nfs/dbraw/zinc/09/39/27/1017093927.db2.gz VEHPMFQBZOMICZ-IBGZPJMESA-N 2 0 309.457 3.701 20 0 DHADRP COC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000623538550 1017096956 /nfs/dbraw/zinc/09/69/56/1017096956.db2.gz JEKXQAZMHFPVJI-WBVHZDCISA-N 2 0 324.896 3.532 20 0 DHADRP Cc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000877697922 1033412109 /nfs/dbraw/zinc/41/21/09/1033412109.db2.gz RYHRRBLJGQGBIL-UHFFFAOYSA-N 2 0 309.885 3.644 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC000187687410 1011939464 /nfs/dbraw/zinc/93/94/64/1011939464.db2.gz MNILOQDRTDNRLD-AWEZNQCLSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424289009 1011961312 /nfs/dbraw/zinc/96/13/12/1011961312.db2.gz LFINCLQXYMUDNO-ZDUSSCGKSA-N 2 0 312.379 3.669 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000424280069 1011969784 /nfs/dbraw/zinc/96/97/84/1011969784.db2.gz LIOGBTWCIYZNBK-ZDUSSCGKSA-N 2 0 322.880 3.874 20 0 DHADRP Cc1cccnc1[C@H]([NH2+]C[C@H](C[NH3+])c1ccc(F)cc1)C(C)C ZINC000424303378 1011990023 /nfs/dbraw/zinc/99/00/23/1011990023.db2.gz NTBFMICMTYYJQO-FUHWJXTLSA-N 2 0 315.436 3.558 20 0 DHADRP COc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000424342553 1012007226 /nfs/dbraw/zinc/00/72/26/1012007226.db2.gz DHJOBWZYWBSVRQ-FUDCBSFHSA-N 2 0 308.853 3.624 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424368373 1012014757 /nfs/dbraw/zinc/01/47/57/1012014757.db2.gz PTBXEUIQRFBHKD-COLVAYQJSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc(C3CCCC3)s1)CC[NH2+]CC2 ZINC000424386513 1012015328 /nfs/dbraw/zinc/01/53/28/1012015328.db2.gz XFZLCVDEFOJAEU-AWEZNQCLSA-N 2 0 319.518 3.765 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@H](C(C)C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000579768168 1012061550 /nfs/dbraw/zinc/06/15/50/1012061550.db2.gz FXYXMTWOFGITNM-GVDBMIGSSA-N 2 0 312.567 3.864 20 0 DHADRP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761339 1012076161 /nfs/dbraw/zinc/07/61/61/1012076161.db2.gz WYWZTEURHZGIJN-TZMCWYRMSA-N 2 0 315.288 3.985 20 0 DHADRP c1ccc(Oc2cccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)c2)cc1 ZINC000666951034 1032599454 /nfs/dbraw/zinc/59/94/54/1032599454.db2.gz XSQHIBRNBQRSPC-IBGZPJMESA-N 2 0 308.425 3.711 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)s2)cc1 ZINC000666952175 1032600276 /nfs/dbraw/zinc/60/02/76/1032600276.db2.gz JDJWTZUFCZJILH-GOSISDBHSA-N 2 0 312.482 3.955 20 0 DHADRP Cc1ccccc1-c1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952397 1032600684 /nfs/dbraw/zinc/60/06/84/1032600684.db2.gz VCEBZVFVBKSBKP-FQEVSTJZSA-N 2 0 306.453 3.894 20 0 DHADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000666952238 1032603494 /nfs/dbraw/zinc/60/34/94/1032603494.db2.gz LYDDCOSMLZNEFX-CYBMUJFWSA-N 2 0 318.770 3.591 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171413877 1032613716 /nfs/dbraw/zinc/61/37/16/1032613716.db2.gz LWVQLYZBSQYGIU-ULQDDVLXSA-N 2 0 304.453 3.663 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCc2c(F)cccc2C1)CC(C)(C)CC[NH3+] ZINC001171411950 1032615328 /nfs/dbraw/zinc/61/53/28/1032615328.db2.gz PUBGADUTXKRJAO-GDBMZVCRSA-N 2 0 306.469 3.674 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CCCc2c(F)cccc2Cl)C1 ZINC000514693547 1012410002 /nfs/dbraw/zinc/41/00/02/1012410002.db2.gz QRWXPVBBSRBFOA-KDOFPFPSSA-N 2 0 324.871 3.828 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccncc1 ZINC000658354028 1012562860 /nfs/dbraw/zinc/56/28/60/1012562860.db2.gz VRZMAMWVMWGYBX-HXUWFJFHSA-N 2 0 315.505 3.880 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000515251243 1012585832 /nfs/dbraw/zinc/58/58/32/1012585832.db2.gz GTIYOTWXVUYUGW-UHFFFAOYSA-N 2 0 322.468 3.648 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000179406905 1012672197 /nfs/dbraw/zinc/67/21/97/1012672197.db2.gz IOCSSOFLPHYVKJ-CZUORRHYSA-N 2 0 310.869 3.511 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000179406892 1012673203 /nfs/dbraw/zinc/67/32/03/1012673203.db2.gz IOCSSOFLPHYVKJ-CJNGLKHVSA-N 2 0 310.869 3.511 20 0 DHADRP C[C@@H]1C[C@@H](NCc2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000436250450 1012705852 /nfs/dbraw/zinc/70/58/52/1012705852.db2.gz GLQHCRLEHIHJEY-YGRLFVJLSA-N 2 0 320.786 3.931 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000925010965 1012765903 /nfs/dbraw/zinc/76/59/03/1012765903.db2.gz PAUXJLYQRCQLOU-HZPDHXFCSA-N 2 0 306.519 3.661 20 0 DHADRP CCCC[C@H](CC)C[NH2+][C@@]12CC[C@@]([NH2+]C[C@H](C)O)(C1)CCC2 ZINC001280186742 1012873532 /nfs/dbraw/zinc/87/35/32/1012873532.db2.gz RATKOYXIWKESKF-OKYOBFRVSA-N 2 0 310.526 3.608 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2OC)c1 ZINC000123927757 1032666755 /nfs/dbraw/zinc/66/67/55/1032666755.db2.gz WYVREICIGZMFOA-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP c1ccc2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)ccnc2c1 ZINC001167962284 1012936264 /nfs/dbraw/zinc/93/62/64/1012936264.db2.gz WEUCEVOMZNWLAU-YQQQUEKLSA-N 2 0 321.468 3.730 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000366682581 1012984612 /nfs/dbraw/zinc/98/46/12/1012984612.db2.gz TZIIDPAQIVKHIP-MSOLQXFVSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000425950304 1012999957 /nfs/dbraw/zinc/99/99/57/1012999957.db2.gz JQQLODZLPMRUKZ-IUODEOHRSA-N 2 0 318.383 3.824 20 0 DHADRP C[C@@H]1CCC[C@H](C)[NH+]1CC1(C[N@H+]2[C@H](C)CCC[C@@H]2C)COC1 ZINC000119414625 1013031945 /nfs/dbraw/zinc/03/19/45/1013031945.db2.gz XUWHIKDAYDZXBY-USTZCAOPSA-N 2 0 308.510 3.529 20 0 DHADRP CSCC[N@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168060686 1017110117 /nfs/dbraw/zinc/11/01/17/1017110117.db2.gz XQSINWIQBGZYQK-HZPDHXFCSA-N 2 0 306.519 3.723 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1)CC(C)C ZINC000475311918 1017136798 /nfs/dbraw/zinc/13/67/98/1017136798.db2.gz AFTDRLVLTLRGET-IEBWSBKVSA-N 2 0 310.526 3.634 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000178036425 1017152967 /nfs/dbraw/zinc/15/29/67/1017152967.db2.gz NGHQARCIHPZNTG-XHSDSOJGSA-N 2 0 310.507 3.678 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000623656258 1017156292 /nfs/dbraw/zinc/15/62/92/1017156292.db2.gz QJFLMKVIZFCBAQ-CQSZACIVSA-N 2 0 317.864 3.710 20 0 DHADRP CC[C@@H]1COCCN1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168063279 1017192709 /nfs/dbraw/zinc/19/27/09/1017192709.db2.gz MOUAUPFXSBCAGT-ZHALLVOQSA-N 2 0 316.489 3.539 20 0 DHADRP c1c2ccccc2oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179174175 1017221153 /nfs/dbraw/zinc/22/11/53/1017221153.db2.gz PHLCHLUFKSFVLO-APWZRJJASA-N 2 0 310.441 3.882 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171447479 1032695359 /nfs/dbraw/zinc/69/53/59/1032695359.db2.gz CWIXJCCYNVLBPK-KRWDZBQOSA-N 2 0 322.443 3.534 20 0 DHADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716635411 1032699314 /nfs/dbraw/zinc/69/93/14/1032699314.db2.gz FSLJDPPWNJMEBJ-FJIDUMEYSA-N 2 0 320.427 3.674 20 0 DHADRP Cc1cccc(CC[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475552143 1017422170 /nfs/dbraw/zinc/42/21/70/1017422170.db2.gz BPXFBWLNZHNCPA-QHGAOEGBSA-N 2 0 300.490 3.923 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475559711 1017427519 /nfs/dbraw/zinc/42/75/19/1017427519.db2.gz FUVJJMXJTDQTTH-QHGAOEGBSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCC(F)(F)CC1 ZINC000475559795 1017428696 /nfs/dbraw/zinc/42/86/96/1017428696.db2.gz QRVJAHHSFMUUBI-IUDNXUCKSA-N 2 0 300.437 3.807 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000716659113 1032699391 /nfs/dbraw/zinc/69/93/91/1032699391.db2.gz ZDHCIEOREKZYII-HBMCJLEFSA-N 2 0 321.468 3.533 20 0 DHADRP FC1(F)C[C@H]1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716635414 1032699861 /nfs/dbraw/zinc/69/98/61/1032699861.db2.gz FSLJDPPWNJMEBJ-MLHJIOFPSA-N 2 0 320.427 3.674 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125404063 1032704590 /nfs/dbraw/zinc/70/45/90/1032704590.db2.gz NTJPJSNNFDSVCE-JKSUJKDBSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H]1SCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685986 1032702216 /nfs/dbraw/zinc/70/22/16/1032702216.db2.gz YSIQMEAUYNBDOL-XFUTXVRSSA-N 2 0 316.514 3.523 20 0 DHADRP CSC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716682120 1032702418 /nfs/dbraw/zinc/70/24/18/1032702418.db2.gz MZUOTNQQEAJWOQ-BZSNNMDCSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)nc1 ZINC000179106307 1017512209 /nfs/dbraw/zinc/51/22/09/1017512209.db2.gz MNYDBRZDHSBQMW-ZNMIVQPWSA-N 2 0 309.885 3.754 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125404254 1032706374 /nfs/dbraw/zinc/70/63/74/1032706374.db2.gz NTJPJSNNFDSVCE-CVEARBPZSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623863871 1017541766 /nfs/dbraw/zinc/54/17/66/1017541766.db2.gz AUTOYQRLWGEDQB-HUUCEWRRSA-N 2 0 307.507 3.622 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623888855 1017568975 /nfs/dbraw/zinc/56/89/75/1017568975.db2.gz WIQSAVXEXUJIGQ-NSHDSACASA-N 2 0 318.358 3.837 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(C)ccc1C ZINC000623891361 1017571147 /nfs/dbraw/zinc/57/11/47/1017571147.db2.gz KNNOGKZVCQKLAB-ICSRJNTNSA-N 2 0 318.505 3.581 20 0 DHADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000657612369 1017571661 /nfs/dbraw/zinc/57/16/61/1017571661.db2.gz MXGSACVMXDLXNI-UHFFFAOYSA-N 2 0 323.484 3.700 20 0 DHADRP CC[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613144 1017573424 /nfs/dbraw/zinc/57/34/24/1017573424.db2.gz WRMMIOKKXIIOCZ-PXNSSMCTSA-N 2 0 315.505 3.852 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+]C3CCC4(CC4)CC3)CC2)ccn1 ZINC000657613502 1017574264 /nfs/dbraw/zinc/57/42/64/1017574264.db2.gz LTWFCIDBAMUAJS-UHFFFAOYSA-N 2 0 313.489 3.606 20 0 DHADRP C[C@H]1CCC[C@H](C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613179 1017575541 /nfs/dbraw/zinc/57/55/41/1017575541.db2.gz HOBDPGMNNCZWMA-PXNSSMCTSA-N 2 0 315.505 3.710 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623931898 1017584887 /nfs/dbraw/zinc/58/48/87/1017584887.db2.gz PLECDOWWKICYQX-SFHVURJKSA-N 2 0 303.494 3.813 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119695 1017692790 /nfs/dbraw/zinc/69/27/90/1017692790.db2.gz HGLUCZKRVMLQFH-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCS2 ZINC000624123362 1017695007 /nfs/dbraw/zinc/69/50/07/1017695007.db2.gz KPYFYTOWDHVUCA-YOEHRIQHSA-N 2 0 320.502 3.554 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123455 1017695252 /nfs/dbraw/zinc/69/52/52/1017695252.db2.gz MGMPTXLGMWSGEF-BEFAXECRSA-N 2 0 316.489 3.739 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123266 1017695736 /nfs/dbraw/zinc/69/57/36/1017695736.db2.gz IVXZXZJWJCGLCZ-GUDVDZBRSA-N 2 0 315.505 3.738 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123269 1017696595 /nfs/dbraw/zinc/69/65/95/1017696595.db2.gz IVXZXZJWJCGLCZ-QRVBRYPASA-N 2 0 315.505 3.738 20 0 DHADRP Clc1ccc2c(n1)[C@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC000857912732 1032717181 /nfs/dbraw/zinc/71/71/81/1032717181.db2.gz MWGSAWOQQMRLGW-OAHLLOKOSA-N 2 0 307.869 3.578 20 0 DHADRP C[N@@H+]1CC[C@@H](c2ccc(N3C(C)(C)CC([NH3+])CC3(C)C)cc2)C1 ZINC001167628009 1017735963 /nfs/dbraw/zinc/73/59/63/1017735963.db2.gz NKMCKQJKHIPCEF-MRXNPFEDSA-N 2 0 315.505 3.590 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090881661 1017820953 /nfs/dbraw/zinc/82/09/53/1017820953.db2.gz SEPPFBWMFKLRNW-AWEZNQCLSA-N 2 0 324.896 3.601 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445398341 1017846144 /nfs/dbraw/zinc/84/61/44/1017846144.db2.gz STPXYYMXFNZDBU-DLBZAZTESA-N 2 0 300.490 3.900 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121276180 1017865931 /nfs/dbraw/zinc/86/59/31/1017865931.db2.gz BNIYMXLDNMXUKS-GOSISDBHSA-N 2 0 308.416 3.664 20 0 DHADRP CCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445757157 1017967613 /nfs/dbraw/zinc/96/76/13/1017967613.db2.gz GKSGITGDWNQDRH-QFBILLFUSA-N 2 0 300.490 3.992 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccs1 ZINC000122302769 1017975379 /nfs/dbraw/zinc/97/53/79/1017975379.db2.gz CBKWKMLZBPSMFX-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000318634451 1018017289 /nfs/dbraw/zinc/01/72/89/1018017289.db2.gz FQFLLROQXBCWGD-OALUTQOASA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCCCC1 ZINC000658068830 1018027018 /nfs/dbraw/zinc/02/70/18/1018027018.db2.gz AEEZIIVYPXPRMG-QGZVFWFLSA-N 2 0 322.537 3.826 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000183606736 1018032647 /nfs/dbraw/zinc/03/26/47/1018032647.db2.gz BLGKXPLVEFDSEN-ZCNNSNEGSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cncs1 ZINC000123020962 1018037793 /nfs/dbraw/zinc/03/77/93/1018037793.db2.gz XOHWLXFLZDZWHD-CQSZACIVSA-N 2 0 301.459 3.590 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1)CC(C)(C)CC[NH3+] ZINC001171467653 1032741761 /nfs/dbraw/zinc/74/17/61/1032741761.db2.gz ZNOCFXCYONLJIC-CJNGLKHVSA-N 2 0 324.459 3.813 20 0 DHADRP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185715617 1018125326 /nfs/dbraw/zinc/12/53/26/1018125326.db2.gz IKXIDJBLSARZIB-MJGOQNOKSA-N 2 0 300.490 3.780 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162594827 1018134871 /nfs/dbraw/zinc/13/48/71/1018134871.db2.gz SADFBZRNYOFYCX-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP CC(C)C(C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000193340456 1018139469 /nfs/dbraw/zinc/13/94/69/1018139469.db2.gz UTCUOZQQPOBIQB-PXNSSMCTSA-N 2 0 317.521 3.810 20 0 DHADRP CSCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780878487 1018155294 /nfs/dbraw/zinc/15/52/94/1018155294.db2.gz LOYLQEOOGGOQID-LZLYRXPVSA-N 2 0 306.519 3.628 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001172874714 1033445024 /nfs/dbraw/zinc/44/50/24/1033445024.db2.gz ICFAIBUKMAIHDA-ZFWWWQNUSA-N 2 0 312.910 3.895 20 0 DHADRP CC(C)(C)OCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000674904537 1018183961 /nfs/dbraw/zinc/18/39/61/1018183961.db2.gz SCTCYLKPJDIXLS-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194415478 1018190811 /nfs/dbraw/zinc/19/08/11/1018190811.db2.gz VDRMBZMEKLLWFH-UHFFFAOYSA-N 2 0 300.899 3.955 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261825083 1018230028 /nfs/dbraw/zinc/23/00/28/1018230028.db2.gz WYWBGDBXGGBXHI-XUVXKRRUSA-N 2 0 316.489 3.624 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2CCCc2c(F)cccc2Cl)CC1 ZINC000446795696 1018248156 /nfs/dbraw/zinc/24/81/56/1018248156.db2.gz OVMPHBQGDFKQEH-UHFFFAOYSA-N 2 0 324.871 3.972 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446816805 1018252742 /nfs/dbraw/zinc/25/27/42/1018252742.db2.gz DYKQKPQODLPRAN-JTDSTZFVSA-N 2 0 322.468 3.756 20 0 DHADRP C[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1(F)F ZINC000658216256 1018286249 /nfs/dbraw/zinc/28/62/49/1018286249.db2.gz ATTSJXXRPPKRGA-XMTFNYHQSA-N 2 0 320.427 3.817 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000446931966 1018295478 /nfs/dbraw/zinc/29/54/78/1018295478.db2.gz GFQLQOXUKDOIAQ-AQNXPRMDSA-N 2 0 318.505 3.690 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000446931967 1018296811 /nfs/dbraw/zinc/29/68/11/1018296811.db2.gz GFQLQOXUKDOIAQ-UFYCRDLUSA-N 2 0 318.505 3.690 20 0 DHADRP CCN(CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000155855798 1018362055 /nfs/dbraw/zinc/36/20/55/1018362055.db2.gz WCXRSHCIIJOCBH-ZIAGYGMSSA-N 2 0 317.502 3.862 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152469828 1032760140 /nfs/dbraw/zinc/76/01/40/1032760140.db2.gz FAOQZRNFPDXHKG-BLLLJJGKSA-N 2 0 322.905 3.951 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccnn1CC1CCC1 ZINC000926486265 1018415009 /nfs/dbraw/zinc/41/50/09/1018415009.db2.gz FVIWQNGOPHUBEF-QGZVFWFLSA-N 2 0 318.509 3.600 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080339069 1018450323 /nfs/dbraw/zinc/45/03/23/1018450323.db2.gz WJUGKZITVVJDRZ-FXAWDEMLSA-N 2 0 324.468 3.838 20 0 DHADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)cc1 ZINC000261836740 1018455368 /nfs/dbraw/zinc/45/53/68/1018455368.db2.gz CAPPSUHWTZIMMZ-CQSZACIVSA-N 2 0 315.486 3.678 20 0 DHADRP FC(F)(F)c1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261837136 1018459648 /nfs/dbraw/zinc/45/96/48/1018459648.db2.gz CCAZRJBRRLNRBT-MRXNPFEDSA-N 2 0 312.379 3.669 20 0 DHADRP COc1ccc([C@@H](C)C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000447899552 1018499756 /nfs/dbraw/zinc/49/97/56/1018499756.db2.gz UIYHZDIDAYGKRD-YJBOKZPZSA-N 2 0 304.478 3.509 20 0 DHADRP Cc1nc2ccc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc2s1 ZINC000650712075 1018540469 /nfs/dbraw/zinc/54/04/69/1018540469.db2.gz PTAZKIWLDJUFAO-BLLLJJGKSA-N 2 0 303.475 3.554 20 0 DHADRP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000527366499 1018555465 /nfs/dbraw/zinc/55/54/65/1018555465.db2.gz KGNICJUNSRCEPG-FGTMMUONSA-N 2 0 318.505 3.537 20 0 DHADRP C[C@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000527365625 1018556031 /nfs/dbraw/zinc/55/60/31/1018556031.db2.gz KMCLFVACTYCQDS-HZPDHXFCSA-N 2 0 306.881 3.861 20 0 DHADRP C[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000527365623 1018556778 /nfs/dbraw/zinc/55/67/78/1018556778.db2.gz KMCLFVACTYCQDS-CVEARBPZSA-N 2 0 306.881 3.861 20 0 DHADRP COC[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000527366502 1018556985 /nfs/dbraw/zinc/55/69/85/1018556985.db2.gz KGNICJUNSRCEPG-OKZBNKHCSA-N 2 0 318.505 3.537 20 0 DHADRP CC(C)COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650717597 1018558442 /nfs/dbraw/zinc/55/84/42/1018558442.db2.gz GVNRLWOPOVNLQO-UHFFFAOYSA-N 2 0 316.420 3.609 20 0 DHADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000583564434 1018563126 /nfs/dbraw/zinc/56/31/26/1018563126.db2.gz QDBDMGWFIGIGMN-SWBPCFCJSA-N 2 0 316.464 3.767 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000650720620 1018575463 /nfs/dbraw/zinc/57/54/63/1018575463.db2.gz VZAFNUDMTQDJBU-CQSZACIVSA-N 2 0 302.849 3.780 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1Cl ZINC000650723121 1018576744 /nfs/dbraw/zinc/57/67/44/1018576744.db2.gz HRJAWUGWUKHBGR-NXHRZFHOSA-N 2 0 322.880 3.509 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000675786959 1018591645 /nfs/dbraw/zinc/59/16/45/1018591645.db2.gz NAWMAHDJLXQBAC-VQTJNVASSA-N 2 0 318.505 3.549 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000675786958 1018592644 /nfs/dbraw/zinc/59/26/44/1018592644.db2.gz NAWMAHDJLXQBAC-UXHICEINSA-N 2 0 318.505 3.549 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000675818774 1018601329 /nfs/dbraw/zinc/60/13/29/1018601329.db2.gz LECJFEHBRZDYIA-HXUWFJFHSA-N 2 0 300.490 3.638 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000675818747 1018601941 /nfs/dbraw/zinc/60/19/41/1018601941.db2.gz KRCJIMACSQLZLH-HOTGVXAUSA-N 2 0 304.478 3.509 20 0 DHADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650742142 1018634670 /nfs/dbraw/zinc/63/46/70/1018634670.db2.gz RRQCCDQDJMDYSP-FORWCCJISA-N 2 0 314.473 3.657 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000675929520 1018636092 /nfs/dbraw/zinc/63/60/92/1018636092.db2.gz LAGOZJOROBSYGQ-MRXNPFEDSA-N 2 0 302.506 3.847 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCC3(C[NH3+])CC3)oc21 ZINC000650745461 1018640765 /nfs/dbraw/zinc/64/07/65/1018640765.db2.gz HHVBLLSTABJGTG-CYBMUJFWSA-N 2 0 302.418 3.611 20 0 DHADRP Cc1cccc2c1CC[C@@H](n1cc(CC[NH3+])c3c[nH+]ccc31)C2 ZINC001171558227 1032777263 /nfs/dbraw/zinc/77/72/63/1032777263.db2.gz CYSKSPJBRRSMLW-QGZVFWFLSA-N 2 0 305.425 3.576 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000126965505 1018665900 /nfs/dbraw/zinc/66/59/00/1018665900.db2.gz JKNSMPVMKGPHMQ-CQSZACIVSA-N 2 0 315.486 3.898 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752798 1018668774 /nfs/dbraw/zinc/66/87/74/1018668774.db2.gz ATKJKDBBQYUJEK-SFHVURJKSA-N 2 0 314.404 3.596 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CCCC1CC[NH+](C)CC1)C2 ZINC001171560379 1032780998 /nfs/dbraw/zinc/78/09/98/1032780998.db2.gz SSGAPTWBIBPBAS-LJQANCHMSA-N 2 0 300.490 3.564 20 0 DHADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CCC2)o1 ZINC000650754587 1018679145 /nfs/dbraw/zinc/67/91/45/1018679145.db2.gz MBRNWLQFJJLRJO-SFHVURJKSA-N 2 0 302.393 3.817 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)c(F)c1 ZINC000650754680 1018679606 /nfs/dbraw/zinc/67/96/06/1018679606.db2.gz OMSFBRYBFHREER-SFHVURJKSA-N 2 0 302.368 3.664 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000650756163 1018681094 /nfs/dbraw/zinc/68/10/94/1018681094.db2.gz VTYJSUNKZAHHNK-OXJNMPFZSA-N 2 0 309.457 3.617 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000650755934 1018682448 /nfs/dbraw/zinc/68/24/48/1018682448.db2.gz PPXVIXQAEPCPGN-OAHLLOKOSA-N 2 0 305.425 3.805 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)CCC2 ZINC000650758409 1018691920 /nfs/dbraw/zinc/69/19/20/1018691920.db2.gz OZFZQUZWXNUMJW-HNNXBMFYSA-N 2 0 315.486 3.592 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000650758254 1018694070 /nfs/dbraw/zinc/69/40/70/1018694070.db2.gz LWCKJGGXJPKHRZ-GOSISDBHSA-N 2 0 300.833 3.837 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000650762708 1018707974 /nfs/dbraw/zinc/70/79/74/1018707974.db2.gz IESJAXNEWZQOBI-NRFANRHFSA-N 2 0 324.468 3.764 20 0 DHADRP FC(F)(F)c1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278461872 1018714183 /nfs/dbraw/zinc/71/41/83/1018714183.db2.gz FFJHAFFIVTVHIZ-UHFFFAOYSA-N 2 0 312.379 3.669 20 0 DHADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC001118057595 1018714605 /nfs/dbraw/zinc/71/46/05/1018714605.db2.gz FDBVSXNRWILZKI-OLZOCXBDSA-N 2 0 303.475 3.767 20 0 DHADRP C[N@H+](Cc1ccccc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676412557 1018725123 /nfs/dbraw/zinc/72/51/23/1018725123.db2.gz PKKRRASOJAIKFR-UHFFFAOYSA-N 2 0 324.468 3.793 20 0 DHADRP Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001171563868 1032784190 /nfs/dbraw/zinc/78/41/90/1032784190.db2.gz OFGMHSVZVIXCEP-IEBWSBKVSA-N 2 0 300.490 3.693 20 0 DHADRP C[NH2+][C@H](C)CC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001118059882 1018760684 /nfs/dbraw/zinc/76/06/84/1018760684.db2.gz ULJJOUCJUDWJTB-IAQYHMDHSA-N 2 0 316.367 3.624 20 0 DHADRP C[NH2+][C@@H](C)CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001118059888 1018762609 /nfs/dbraw/zinc/76/26/09/1018762609.db2.gz ULJJOUCJUDWJTB-NHYWBVRUSA-N 2 0 316.367 3.624 20 0 DHADRP COc1ccc2c(NC3CC[NH+](C(C)(C)C)CC3)cc[nH+]c2c1 ZINC000765469397 1018799164 /nfs/dbraw/zinc/79/91/64/1018799164.db2.gz BDHVMRZUJOYZEQ-UHFFFAOYSA-N 2 0 313.445 3.918 20 0 DHADRP c1nc(C2CCC2)sc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813328 1018810195 /nfs/dbraw/zinc/81/01/95/1018810195.db2.gz OHURGVCTRIMBLK-UHFFFAOYSA-N 2 0 319.518 3.622 20 0 DHADRP Cc1cccc2c1CC[C@H]([N@@H+](C)CC1CC[NH+](C(C)C)CC1)C2 ZINC001171570576 1032787931 /nfs/dbraw/zinc/78/79/31/1032787931.db2.gz LZPRMTILGUQTCP-FQEVSTJZSA-N 2 0 314.517 3.905 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647319404 1018848348 /nfs/dbraw/zinc/84/83/48/1018848348.db2.gz ZHCYNRYQIZIRTB-ZMSDIMECSA-N 2 0 310.432 3.778 20 0 DHADRP COc1ccc2c(NC[C@@H]3CC[N@H+](CC(C)C)C3)cc[nH+]c2c1 ZINC000765525333 1018866456 /nfs/dbraw/zinc/86/64/56/1018866456.db2.gz LKDRKJWJGSKZRP-HNNXBMFYSA-N 2 0 313.445 3.633 20 0 DHADRP c1ccc(OCCCCC[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666993730 1032791071 /nfs/dbraw/zinc/79/10/71/1032791071.db2.gz GPCXYIXTUNIBJK-KRWDZBQOSA-N 2 0 302.462 3.500 20 0 DHADRP c1ccc(OCCCCC[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666993731 1032792404 /nfs/dbraw/zinc/79/24/04/1032792404.db2.gz GPCXYIXTUNIBJK-QGZVFWFLSA-N 2 0 302.462 3.500 20 0 DHADRP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1(C)C ZINC001171632374 1032796644 /nfs/dbraw/zinc/79/66/44/1032796644.db2.gz YUCMBNDPMOXEMH-BETUJISGSA-N 2 0 300.437 3.615 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1C(F)(F)F ZINC000666993923 1032792977 /nfs/dbraw/zinc/79/29/77/1032792977.db2.gz UDWJRLQXCZCDSJ-AWEZNQCLSA-N 2 0 312.379 3.778 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2([C@H]3CCOC(C)(C)C3)CC2)CC1(C)C ZINC001171629486 1032793686 /nfs/dbraw/zinc/79/36/86/1032793686.db2.gz SVXIKFPJQRCYEI-HNNXBMFYSA-N 2 0 322.537 3.965 20 0 DHADRP C1CC[NH+](C2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)CC1 ZINC000921823224 1018913732 /nfs/dbraw/zinc/91/37/32/1018913732.db2.gz SZQSCOWLTCFECD-QRBPQYNOSA-N 2 0 320.521 3.578 20 0 DHADRP CC1(C)C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C(C)(C)O1 ZINC000922949416 1018934106 /nfs/dbraw/zinc/93/41/06/1018934106.db2.gz XPRIRRSDMBAUGD-MRXNPFEDSA-N 2 0 322.537 3.967 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)Cc2cccnc2)CC1(C)C ZINC001171631287 1032796175 /nfs/dbraw/zinc/79/61/75/1032796175.db2.gz XNUGSQHQAPXRCS-UHFFFAOYSA-N 2 0 303.494 3.644 20 0 DHADRP CCOC1CCC([NH2+]Cc2ccccc2C[NH+](CC)CC)CC1 ZINC000657827100 1018944128 /nfs/dbraw/zinc/94/41/28/1018944128.db2.gz LQOBTXSCGUZIDN-UHFFFAOYSA-N 2 0 318.505 3.966 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc2cnccc2o1 ZINC000657828309 1018951787 /nfs/dbraw/zinc/95/17/87/1018951787.db2.gz RSRGUBRSLJMOLH-CQSZACIVSA-N 2 0 309.413 3.740 20 0 DHADRP Clc1scc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1Cl ZINC000666993928 1032797897 /nfs/dbraw/zinc/79/78/97/1032797897.db2.gz ULCNXMRWRGEVDV-SNVBAGLBSA-N 2 0 305.274 3.819 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2c(F)cccc2Cl)c2ccccc21 ZINC001118120436 1018989703 /nfs/dbraw/zinc/98/97/03/1018989703.db2.gz XBXKEWFEMKWSNZ-SJORKVTESA-N 2 0 304.796 3.756 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000858196179 1032802054 /nfs/dbraw/zinc/80/20/54/1032802054.db2.gz IXSDJGSVTNVJIR-RHSMWYFYSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccn1 ZINC000159216185 1019026492 /nfs/dbraw/zinc/02/64/92/1019026492.db2.gz IQWICDNRGVDTLU-DAYGRLMNSA-N 2 0 315.486 3.877 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000387068671 1019043865 /nfs/dbraw/zinc/04/38/65/1019043865.db2.gz UAVSSGCVELQDSV-QGZVFWFLSA-N 2 0 304.478 3.687 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cc2cnccc2o1 ZINC000657837823 1019062864 /nfs/dbraw/zinc/06/28/64/1019062864.db2.gz JWTLYBZRBOKPGR-JKSUJKDBSA-N 2 0 315.461 3.991 20 0 DHADRP COC1CCC(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171625506 1032805733 /nfs/dbraw/zinc/80/57/33/1032805733.db2.gz KENDCWXMGYYNQC-UHFFFAOYSA-N 2 0 310.526 3.823 20 0 DHADRP C[NH+]1C(C)(C)CC(N2CC[C@@H]([NH3+])c3ccccc32)CC1(C)C ZINC001171623140 1032808173 /nfs/dbraw/zinc/80/81/73/1032808173.db2.gz LSFUGHMAFSIHQW-MRXNPFEDSA-N 2 0 301.478 3.548 20 0 DHADRP C[C@H](C[NH2+][C@H](C)c1cc2ccncc2s1)C[NH+]1CCCC1 ZINC000657844102 1019135324 /nfs/dbraw/zinc/13/53/24/1019135324.db2.gz GJQJDAVJABLJIL-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP COCc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171627007 1032811860 /nfs/dbraw/zinc/81/18/60/1032811860.db2.gz ISLRGUZIWOUBLI-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP C[NH+]1C(C)(C)CC(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC001171627589 1032810090 /nfs/dbraw/zinc/81/00/90/1032810090.db2.gz YAACMLIUJLITDD-MRXNPFEDSA-N 2 0 321.553 3.634 20 0 DHADRP Cc1nc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365066 1019153359 /nfs/dbraw/zinc/15/33/59/1019153359.db2.gz RVWRKLCDBZLHNK-GJZGRUSLSA-N 2 0 321.534 3.713 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000156900419 1019155050 /nfs/dbraw/zinc/15/50/50/1019155050.db2.gz MDLAIDQIRCYMFW-CYBMUJFWSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000923377139 1019156595 /nfs/dbraw/zinc/15/65/95/1019156595.db2.gz RSPUGOBLIDJJDF-WPXLMEDKSA-N 2 0 324.415 3.859 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923375811 1019156761 /nfs/dbraw/zinc/15/67/61/1019156761.db2.gz FXTWVMXMJKQFGH-MGNMYUMUSA-N 2 0 302.462 3.657 20 0 DHADRP Cc1cc(C)c([C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923451153 1019210828 /nfs/dbraw/zinc/21/08/28/1019210828.db2.gz YZKWHSVAMKPQNH-QZTJIDSGSA-N 2 0 316.489 3.503 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000161556748 1019215535 /nfs/dbraw/zinc/21/55/35/1019215535.db2.gz DEJUILUGSFHWFB-UHFFFAOYSA-N 2 0 313.489 3.886 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CNCc1cnc(C2CC2)o1 ZINC000628200180 1019240148 /nfs/dbraw/zinc/24/01/48/1019240148.db2.gz AVCUXLPJLGBDPQ-UHFFFAOYSA-N 2 0 313.445 3.684 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000672618107 1019320346 /nfs/dbraw/zinc/32/03/46/1019320346.db2.gz ATJNYRXKFUQMCX-CBBWQLFWSA-N 2 0 304.400 3.572 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000672618106 1019321077 /nfs/dbraw/zinc/32/10/77/1019321077.db2.gz ATJNYRXKFUQMCX-APIJFGDWSA-N 2 0 304.400 3.572 20 0 DHADRP C([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CCSCC1 ZINC000765969149 1019345844 /nfs/dbraw/zinc/34/58/44/1019345844.db2.gz PPZDQXLVYFVLSN-UHFFFAOYSA-N 2 0 310.551 3.764 20 0 DHADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657859310 1019348404 /nfs/dbraw/zinc/34/84/04/1019348404.db2.gz SJVHFMRHZKKKGB-MOPGFXCFSA-N 2 0 318.530 3.774 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001172875860 1033449921 /nfs/dbraw/zinc/44/99/21/1033449921.db2.gz RYXNEYLIUZBKMK-ZIAGYGMSSA-N 2 0 312.910 3.752 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccs1 ZINC000090522467 1019408128 /nfs/dbraw/zinc/40/81/28/1019408128.db2.gz GNGPFKGTOXOGNC-BBWFWOEESA-N 2 0 322.518 3.557 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccnc1 ZINC000091286490 1019456368 /nfs/dbraw/zinc/45/63/68/1019456368.db2.gz DTCOIZPRASQXSZ-PKOBYXMFSA-N 2 0 303.494 3.880 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@@H](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000161820123 1019523835 /nfs/dbraw/zinc/52/38/35/1019523835.db2.gz RDUGAGPZZHBZOX-HNNXBMFYSA-N 2 0 313.489 3.593 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001171682210 1032837223 /nfs/dbraw/zinc/83/72/23/1032837223.db2.gz SJUSMXQIOLRQGV-LJQANCHMSA-N 2 0 323.484 3.842 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000166254736 1019669916 /nfs/dbraw/zinc/66/99/16/1019669916.db2.gz ASOZOMFLVXVPMM-IAGOWNOFSA-N 2 0 306.881 3.834 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166021950 1019767674 /nfs/dbraw/zinc/76/76/74/1019767674.db2.gz UXEZPXYHDCWWOV-PXNSSMCTSA-N 2 0 316.489 3.618 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000271809673 1019856940 /nfs/dbraw/zinc/85/69/40/1019856940.db2.gz AKCHCEJDUJNLAR-OAHLLOKOSA-N 2 0 308.878 3.728 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCCSCC1)[N@H+](C)Cc1ccccc1 ZINC000657900152 1019900193 /nfs/dbraw/zinc/90/01/93/1019900193.db2.gz MRXOZPVCPXCFFF-SJLPKXTDSA-N 2 0 306.519 3.772 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000371792492 1019909007 /nfs/dbraw/zinc/90/90/07/1019909007.db2.gz KZSQEHJFQLXYGG-PKOBYXMFSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000671747812 1019917779 /nfs/dbraw/zinc/91/77/79/1019917779.db2.gz PLXNFSUIWPKZJA-BLLLJJGKSA-N 2 0 319.449 3.550 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000671749901 1019927978 /nfs/dbraw/zinc/92/79/78/1019927978.db2.gz IQFGOLILNUOQCR-QXKUPLGCSA-N 2 0 318.427 3.818 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc(C[NH+](C)C)c1 ZINC000926602117 1019937205 /nfs/dbraw/zinc/93/72/05/1019937205.db2.gz RWZIFDCBROGIMI-YJBOKZPZSA-N 2 0 318.530 3.932 20 0 DHADRP Cc1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000685566721 1019953114 /nfs/dbraw/zinc/95/31/14/1019953114.db2.gz FUWWLNRIRRRZRY-HNNXBMFYSA-N 2 0 319.493 3.768 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000480631838 1020011270 /nfs/dbraw/zinc/01/12/70/1020011270.db2.gz SQCBOPGYVQCLPG-IBGZPJMESA-N 2 0 304.453 3.915 20 0 DHADRP CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000348439788 1032870224 /nfs/dbraw/zinc/87/02/24/1032870224.db2.gz RCKYKRJVNRWQHL-HNNXBMFYSA-N 2 0 315.461 3.773 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000922505998 1020107334 /nfs/dbraw/zinc/10/73/34/1020107334.db2.gz WPDNFZPDSHTACW-XDPIZLSQSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658064517 1020112335 /nfs/dbraw/zinc/11/23/35/1020112335.db2.gz OQHOQZYJMHFMCY-HBFSDRIKSA-N 2 0 323.484 3.685 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000658061777 1020112639 /nfs/dbraw/zinc/11/26/39/1020112639.db2.gz CUQPPQQYMLBQBP-AOIWGVFYSA-N 2 0 315.505 3.818 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000658069812 1020128886 /nfs/dbraw/zinc/12/88/86/1020128886.db2.gz ISZIPCRFXYPRIH-FUHIMQAGSA-N 2 0 322.537 3.682 20 0 DHADRP CC1(C)CCc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000731677404 1020137532 /nfs/dbraw/zinc/13/75/32/1020137532.db2.gz PDKNYRYMFFCTRL-ZWKOTPCHSA-N 2 0 314.473 3.507 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C ZINC000658168827 1020199630 /nfs/dbraw/zinc/19/96/30/1020199630.db2.gz ZJSBOXXDKQYANZ-HLIPFELVSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000658168824 1020199946 /nfs/dbraw/zinc/19/99/46/1020199946.db2.gz ZJSBOXXDKQYANZ-FUHIMQAGSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccsc1 ZINC000658167710 1020200207 /nfs/dbraw/zinc/20/02/07/1020200207.db2.gz TYKKRRDDEXCZHJ-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000658217996 1020244689 /nfs/dbraw/zinc/24/46/89/1020244689.db2.gz IGNRXUGCFYGQKC-KBMXLJTQSA-N 2 0 300.437 3.664 20 0 DHADRP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1(C)C ZINC000765805457 1020263823 /nfs/dbraw/zinc/26/38/23/1020263823.db2.gz CNDYMYXFMOGWGI-OALUTQOASA-N 2 0 322.537 3.823 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171790883 1032887524 /nfs/dbraw/zinc/88/75/24/1032887524.db2.gz VFQVQAYMSGJTGA-ULQDDVLXSA-N 2 0 304.453 3.536 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000658253417 1020268467 /nfs/dbraw/zinc/26/84/67/1020268467.db2.gz MIQRYNQJMUGGFV-IAGOWNOFSA-N 2 0 322.537 3.965 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000658300063 1020288380 /nfs/dbraw/zinc/28/83/80/1020288380.db2.gz IZGGVDZNIYHTCZ-VDGAXYAQSA-N 2 0 300.490 3.921 20 0 DHADRP COc1ccc([C@@H](C)C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922844283 1020300717 /nfs/dbraw/zinc/30/07/17/1020300717.db2.gz BHCCKHKJOLXNBU-VQSBYGRUSA-N 2 0 316.489 3.795 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000922846561 1020304241 /nfs/dbraw/zinc/30/42/41/1020304241.db2.gz NEAOLUYWIOLWLD-UTCJRWHESA-N 2 0 302.437 3.836 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000922846886 1020305774 /nfs/dbraw/zinc/30/57/74/1020305774.db2.gz RVXNEJSBQZZQGE-UHFFFAOYSA-N 2 0 307.869 3.540 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000658352992 1020320016 /nfs/dbraw/zinc/32/00/16/1020320016.db2.gz ATSAUJCTYBHLJY-MRXNPFEDSA-N 2 0 319.518 3.541 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658353848 1020320592 /nfs/dbraw/zinc/32/05/92/1020320592.db2.gz SOHUNWSBCHXJJF-FHLIZLRMSA-N 2 0 318.530 3.952 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658353572 1020320950 /nfs/dbraw/zinc/32/09/50/1020320950.db2.gz PFYGQHAPEHTCGW-NDXORKPFSA-N 2 0 312.501 3.890 20 0 DHADRP CC(C)C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000658357108 1020322380 /nfs/dbraw/zinc/32/23/80/1020322380.db2.gz RBARUGBSFADCFY-FQEVSTJZSA-N 2 0 315.505 3.880 20 0 DHADRP C[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358403 1020322918 /nfs/dbraw/zinc/32/29/18/1020322918.db2.gz UWVUYVRAGYLURU-KRWDZBQOSA-N 2 0 300.490 3.719 20 0 DHADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OCC2CC2)cc1 ZINC001204616330 1020379806 /nfs/dbraw/zinc/37/98/06/1020379806.db2.gz ULVSHZHIUFRXJL-LJQANCHMSA-N 2 0 316.489 3.782 20 0 DHADRP COC1CCC(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000892461625 1020381637 /nfs/dbraw/zinc/38/16/37/1020381637.db2.gz FLXUFHZCHWCTPC-UHFFFAOYSA-N 2 0 316.489 3.577 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000282280988 1020399397 /nfs/dbraw/zinc/39/93/97/1020399397.db2.gz RRZIOKKSEMSLRI-UXHICEINSA-N 2 0 318.505 3.822 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827755 1020406124 /nfs/dbraw/zinc/40/61/24/1020406124.db2.gz ZLWZQKBTBBNPOJ-MOBUCQHHSA-N 2 0 324.468 3.792 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC000733614184 1020418926 /nfs/dbraw/zinc/41/89/26/1020418926.db2.gz BTIBFMBKHKUFRM-MRXNPFEDSA-N 2 0 308.425 3.970 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929327350 1020445101 /nfs/dbraw/zinc/44/51/01/1020445101.db2.gz HGYMMIHQRANSCU-UHFFFAOYSA-N 2 0 313.445 3.505 20 0 DHADRP COc1ccc(Cl)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525112 1020492695 /nfs/dbraw/zinc/49/26/95/1020492695.db2.gz MYMLHJHHDYOGJV-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000155933139 1020497232 /nfs/dbraw/zinc/49/72/32/1020497232.db2.gz MSHFJMRGPVAPAT-MRXNPFEDSA-N 2 0 318.505 3.822 20 0 DHADRP Cc1ccc(C[NH+](C)C/C=C\C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000299737790 1020521836 /nfs/dbraw/zinc/52/18/36/1020521836.db2.gz IARLZEJANDLDNN-WAYWQWQTSA-N 2 0 302.418 3.609 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCCC2 ZINC000378874748 1020521931 /nfs/dbraw/zinc/52/19/31/1020521931.db2.gz XJCRWUFWAHBLEU-DLBZAZTESA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474713741 1020523676 /nfs/dbraw/zinc/52/36/76/1020523676.db2.gz MHOYRJSTWDYJDE-GRTSSRMGSA-N 2 0 306.416 3.675 20 0 DHADRP CCC[C@@H](C)CCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000625482352 1020545220 /nfs/dbraw/zinc/54/52/20/1020545220.db2.gz NVLGMQBXRDQWFN-LJQANCHMSA-N 2 0 323.569 3.695 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474879287 1020559768 /nfs/dbraw/zinc/55/97/68/1020559768.db2.gz NEKVTKHIVWNZRW-GRTSSRMGSA-N 2 0 304.400 3.595 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926685126 1020648849 /nfs/dbraw/zinc/64/88/49/1020648849.db2.gz XQMOAUSEHMKKRJ-HNAYVOBHSA-N 2 0 304.478 3.604 20 0 DHADRP CCC[NH+]1CCC(N[C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000133187406 1020707138 /nfs/dbraw/zinc/70/71/38/1020707138.db2.gz ZBUSEPAUGIBUQK-KRWDZBQOSA-N 2 0 306.425 3.503 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCCCC1 ZINC001171957754 1032923607 /nfs/dbraw/zinc/92/36/07/1032923607.db2.gz CHOHXKNUBQRVFJ-AWEZNQCLSA-N 2 0 314.395 3.712 20 0 DHADRP COCc1csc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926701575 1020714425 /nfs/dbraw/zinc/71/44/25/1020714425.db2.gz AQCKDECVQOIEDY-CQSZACIVSA-N 2 0 318.486 3.807 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001171960446 1032929601 /nfs/dbraw/zinc/92/96/01/1032929601.db2.gz ZOQRNUOYVADPAV-CZUORRHYSA-N 2 0 314.395 3.710 20 0 DHADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000628336730 1020766015 /nfs/dbraw/zinc/76/60/15/1020766015.db2.gz OCJSJQYMJZEECR-RBUKOAKNSA-N 2 0 322.537 3.683 20 0 DHADRP CC[C@@H]1C[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647497826 1020767155 /nfs/dbraw/zinc/76/71/55/1020767155.db2.gz WTWPNXWAYFSLEX-IOASZLSFSA-N 2 0 314.395 3.868 20 0 DHADRP CC[C@@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647498236 1020773751 /nfs/dbraw/zinc/77/37/51/1020773751.db2.gz CYYBGUPZDJNQAA-DGCLKSJQSA-N 2 0 318.795 3.501 20 0 DHADRP C[C@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)C1CC[NH+](C)CC1 ZINC000858535606 1032936382 /nfs/dbraw/zinc/93/63/82/1032936382.db2.gz CUWRIXAIDOJIPT-ZDUSSCGKSA-N 2 0 321.415 3.856 20 0 DHADRP Cc1nccn1CC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414067229 1020838147 /nfs/dbraw/zinc/83/81/47/1020838147.db2.gz HUHYTWYZAPIAAX-RDJZCZTQSA-N 2 0 303.837 3.771 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC000414075334 1020850135 /nfs/dbraw/zinc/85/01/35/1020850135.db2.gz HCOFYZWMBHQIPW-OAHLLOKOSA-N 2 0 304.478 3.917 20 0 DHADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000613259816 1020874020 /nfs/dbraw/zinc/87/40/20/1020874020.db2.gz GRVRTNFEJLIVJH-IEBWSBKVSA-N 2 0 304.478 3.685 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414109057 1020898751 /nfs/dbraw/zinc/89/87/51/1020898751.db2.gz GUHHEVFFDYSHFQ-SJLPKXTDSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc(C[NH+](C)C)c1 ZINC000926738497 1020899938 /nfs/dbraw/zinc/89/99/38/1020899938.db2.gz SXYAYBFUWQKOBX-DOMZBBRYSA-N 2 0 315.288 3.983 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414174965 1020963181 /nfs/dbraw/zinc/96/31/81/1020963181.db2.gz HVIVREDZZGAHRY-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP COCCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000414175981 1020964479 /nfs/dbraw/zinc/96/44/79/1020964479.db2.gz HTOWSXXRZYEBKL-VQIMIIECSA-N 2 0 322.468 3.615 20 0 DHADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414177931 1020966115 /nfs/dbraw/zinc/96/61/15/1020966115.db2.gz JIQRBLGYVPZNBC-KBXCAEBGSA-N 2 0 310.432 3.983 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCCO2 ZINC000414195526 1020984558 /nfs/dbraw/zinc/98/45/58/1020984558.db2.gz WTKQKWHXHHKGIU-IBGZPJMESA-N 2 0 321.424 3.955 20 0 DHADRP COCC[C@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000414197334 1020985345 /nfs/dbraw/zinc/98/53/45/1020985345.db2.gz KDYBXUFHKXPETF-KKXNLOMOSA-N 2 0 318.505 3.692 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCC[C@@H]4C[C@@H]42)C3)cc1 ZINC000414206086 1020993877 /nfs/dbraw/zinc/99/38/77/1020993877.db2.gz JECZYLHNVJFYBS-YQPXSLGVSA-N 2 0 310.485 3.960 20 0 DHADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000414217294 1021006008 /nfs/dbraw/zinc/00/60/08/1021006008.db2.gz YAMOMMZGDLSIHF-TUNPWDSISA-N 2 0 316.489 3.587 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CS1 ZINC000414230362 1021016196 /nfs/dbraw/zinc/01/61/96/1021016196.db2.gz NTYKINVZUXNTFF-IZIZEDOESA-N 2 0 318.530 3.913 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCN2CCC[C@H]2C)c2ccccc12 ZINC000766274768 1021037388 /nfs/dbraw/zinc/03/73/88/1021037388.db2.gz UTGZKPIPFVHLQS-CVEARBPZSA-N 2 0 312.457 3.983 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC(F)(F)F ZINC000414280952 1021055928 /nfs/dbraw/zinc/05/59/28/1021055928.db2.gz LXVCKWNJZVEESL-CYBMUJFWSA-N 2 0 306.416 3.962 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000414315699 1021086950 /nfs/dbraw/zinc/08/69/50/1021086950.db2.gz SIQPOIXSRURHCR-KMEYYKJISA-N 2 0 322.537 3.824 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171970359 1032954582 /nfs/dbraw/zinc/95/45/82/1032954582.db2.gz BUHJVXJPNXBWSI-GOSISDBHSA-N 2 0 318.530 3.915 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1C(F)(F)F ZINC000414360515 1021132393 /nfs/dbraw/zinc/13/23/93/1021132393.db2.gz QTZPOXXNAABBFW-OCCSQVGLSA-N 2 0 300.368 3.586 20 0 DHADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973065 1032956449 /nfs/dbraw/zinc/95/64/49/1032956449.db2.gz VQRFULIODORVFD-QFBILLFUSA-N 2 0 324.472 3.570 20 0 DHADRP CSc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542739 1021144355 /nfs/dbraw/zinc/14/43/55/1021144355.db2.gz BCQFKKJRNZPQBZ-IRXDYDNUSA-N 2 0 304.503 3.620 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543757 1021149718 /nfs/dbraw/zinc/14/97/18/1021149718.db2.gz RRALUOAQPQSLFU-DLBZAZTESA-N 2 0 308.416 3.836 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)c(OC(F)F)cc1C ZINC000647552976 1021163716 /nfs/dbraw/zinc/16/37/16/1021163716.db2.gz HHRHQPDPFIALEU-UHFFFAOYSA-N 2 0 320.383 3.653 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423395946 1021193828 /nfs/dbraw/zinc/19/38/28/1021193828.db2.gz SAXWEIIATMTQIG-PMPSAXMXSA-N 2 0 323.278 3.760 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423403924 1021195920 /nfs/dbraw/zinc/19/59/20/1021195920.db2.gz XKMOWRDONBHFQI-UQQDIPGASA-N 2 0 316.489 3.822 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(s1)CCCC2 ZINC000251424909 1021224899 /nfs/dbraw/zinc/22/48/99/1021224899.db2.gz IAAJMFNEVPUGDD-IMJJTQAJSA-N 2 0 304.503 3.904 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000090586703 1021234314 /nfs/dbraw/zinc/23/43/14/1021234314.db2.gz DAAXCXKUOHCZNF-HOTGVXAUSA-N 2 0 322.468 3.853 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000377063286 1021250865 /nfs/dbraw/zinc/25/08/65/1021250865.db2.gz WBBWALYAFDBFEU-FXAWDEMLSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000423540439 1021274712 /nfs/dbraw/zinc/27/47/12/1021274712.db2.gz QICIWCUAJMAQFE-GRTSSRMGSA-N 2 0 304.400 3.643 20 0 DHADRP Cc1ccc(CCC[NH2+]CC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000354452992 1021365838 /nfs/dbraw/zinc/36/58/38/1021365838.db2.gz DFCYJFXVTCOBPU-UHFFFAOYSA-N 2 0 317.521 3.670 20 0 DHADRP Cc1ccccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337409454 1032974785 /nfs/dbraw/zinc/97/47/85/1032974785.db2.gz WCUDECVIXRLSLI-SFHVURJKSA-N 2 0 309.457 3.907 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000337406029 1032975341 /nfs/dbraw/zinc/97/53/41/1032975341.db2.gz SLHZYLUFFOJJBK-LJQANCHMSA-N 2 0 316.489 3.830 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422753 1021524833 /nfs/dbraw/zinc/52/48/33/1021524833.db2.gz BRCRRNVUCVHVPS-INIZCTEOSA-N 2 0 316.489 3.783 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850426747 1021525358 /nfs/dbraw/zinc/52/53/58/1021525358.db2.gz ZEMPIEXEMMUAAO-OAHLLOKOSA-N 2 0 314.473 3.537 20 0 DHADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cc4ccccc4cn3)CC2)C1 ZINC001279181181 1021564878 /nfs/dbraw/zinc/56/48/78/1021564878.db2.gz OVCYXCUNKRAHJQ-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405265 1021580818 /nfs/dbraw/zinc/58/08/18/1021580818.db2.gz VCTHIIPUORGSGT-CQSZACIVSA-N 2 0 321.534 3.795 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405264 1021581460 /nfs/dbraw/zinc/58/14/60/1021581460.db2.gz VCTHIIPUORGSGT-AWEZNQCLSA-N 2 0 321.534 3.795 20 0 DHADRP COCC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065580 1032990597 /nfs/dbraw/zinc/99/05/97/1032990597.db2.gz ONJKPPHOGPAEMC-LDLYASANSA-N 2 0 316.489 3.587 20 0 DHADRP C[N@H+](CCC[NH2+]C1CC2(C1)COC(C)(C)C2)C1CCCCC1 ZINC000924602276 1021588142 /nfs/dbraw/zinc/58/81/42/1021588142.db2.gz VMRIKSGDUMVFQT-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP [NH3+]Cc1cccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066499 1032990693 /nfs/dbraw/zinc/99/06/93/1032990693.db2.gz YFLZUZOYKYCUIR-RUYXUALKSA-N 2 0 309.457 3.705 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892741903 1021590969 /nfs/dbraw/zinc/59/09/69/1021590969.db2.gz CYYIOHUOYRLXJZ-VQCLRJIVSA-N 2 0 308.416 3.532 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccccc1F)C2 ZINC001172126801 1032993535 /nfs/dbraw/zinc/99/35/35/1032993535.db2.gz YASDUHVYSJOARC-RCJHGTSTSA-N 2 0 302.437 3.978 20 0 DHADRP c1ccc(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000613644394 1021609701 /nfs/dbraw/zinc/60/97/01/1021609701.db2.gz FSWLUICAFHGCPR-UHFFFAOYSA-N 2 0 300.490 3.817 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000850584175 1021624555 /nfs/dbraw/zinc/62/45/55/1021624555.db2.gz PDAWSVAXAJIZES-MRXNPFEDSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccnc1Cl ZINC000850583973 1021625267 /nfs/dbraw/zinc/62/52/67/1021625267.db2.gz PBAMGOGXVVFBNL-ZDUSSCGKSA-N 2 0 307.869 3.508 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000036968422 1021635051 /nfs/dbraw/zinc/63/50/51/1021635051.db2.gz UUFILHRNCBLSFO-WBMJQRKESA-N 2 0 308.466 3.683 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccccc1F)C2 ZINC001172126799 1032992792 /nfs/dbraw/zinc/99/27/92/1032992792.db2.gz YASDUHVYSJOARC-MKSNKDDYSA-N 2 0 302.437 3.978 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001172126800 1032996857 /nfs/dbraw/zinc/99/68/57/1032996857.db2.gz YASDUHVYSJOARC-PASDCYSWSA-N 2 0 302.437 3.978 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000659843186 1021700187 /nfs/dbraw/zinc/70/01/87/1021700187.db2.gz MSBMHCXKXXKKJF-UHFFFAOYSA-N 2 0 317.502 3.850 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093944617 1021701358 /nfs/dbraw/zinc/70/13/58/1021701358.db2.gz YHLRLOHZDNKSTD-INIZCTEOSA-N 2 0 303.494 3.525 20 0 DHADRP CCCOc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172106268 1033006833 /nfs/dbraw/zinc/00/68/33/1033006833.db2.gz ONERJDIIOXXPFL-NNZMDNLPSA-N 2 0 302.462 3.580 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(C[NH3+])c3cc(Cl)ccc31)C2 ZINC001172105806 1033007387 /nfs/dbraw/zinc/00/73/87/1033007387.db2.gz KNRLEZJTVOOZPH-ZSHCYNCHSA-N 2 0 317.864 3.941 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000556589035 1021780476 /nfs/dbraw/zinc/78/04/76/1021780476.db2.gz HHDUDCZTYQZMJX-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP Cc1c(CC[NH3+])c2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103087 1033004343 /nfs/dbraw/zinc/00/43/43/1033004343.db2.gz RJYWITIOUMAYLK-BJWYYQGGSA-N 2 0 311.473 3.639 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(CC3CCC3)CCOCC1)C2 ZINC001172110976 1033009426 /nfs/dbraw/zinc/00/94/26/1033009426.db2.gz NCOPZSXPOUZQOU-LDLYASANSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000619774740 1021887249 /nfs/dbraw/zinc/88/72/49/1021887249.db2.gz YRQNZGRAYNNSJV-WMZOPIPTSA-N 2 0 304.478 3.543 20 0 DHADRP CCC[N@@H+]1CC[C@H](CNCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000619772570 1021903224 /nfs/dbraw/zinc/90/32/24/1021903224.db2.gz PIJKFCCEBQMRRN-OAHLLOKOSA-N 2 0 316.420 3.907 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000556869358 1021913400 /nfs/dbraw/zinc/91/34/00/1021913400.db2.gz GXIIACHHAMNDJE-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556887277 1021923193 /nfs/dbraw/zinc/92/31/93/1021923193.db2.gz SOHWCDZIABJMJA-BRWVUGGUSA-N 2 0 322.880 3.701 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1ccc(Cl)cc1 ZINC000556878295 1021924357 /nfs/dbraw/zinc/92/43/57/1021924357.db2.gz LJAVRUBRBAPBBK-RUGDWHBFSA-N 2 0 322.880 3.570 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000556890573 1021931625 /nfs/dbraw/zinc/93/16/25/1021931625.db2.gz NFLHVUNWGSDHAD-SNRMKQJTSA-N 2 0 322.443 3.750 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934503 1021956875 /nfs/dbraw/zinc/95/68/75/1021956875.db2.gz WFFVOPVIRJMDQK-POAQFYNOSA-N 2 0 322.537 3.560 20 0 DHADRP CO[C@@H]1CC[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000851813369 1022010480 /nfs/dbraw/zinc/01/04/80/1022010480.db2.gz UIPWKHCLEYYHBM-NZSAHSFTSA-N 2 0 308.510 3.530 20 0 DHADRP CO[C@@H]1CC[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000851813371 1022012714 /nfs/dbraw/zinc/01/27/14/1022012714.db2.gz UIPWKHCLEYYHBM-YTQUADARSA-N 2 0 308.510 3.530 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccc(F)cc1)C2 ZINC001172119767 1033022952 /nfs/dbraw/zinc/02/29/52/1033022952.db2.gz HVNKLAGOAMTHQA-YDZRNGNQSA-N 2 0 302.437 3.978 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3nsc4ccccc43)C2)CC1 ZINC000852007469 1022058798 /nfs/dbraw/zinc/05/87/98/1022058798.db2.gz NNIAIHGJEIVHMC-UHFFFAOYSA-N 2 0 315.486 3.604 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337487058 1033027690 /nfs/dbraw/zinc/02/76/90/1033027690.db2.gz SYKZBFYVSVXJCF-INIZCTEOSA-N 2 0 318.509 3.771 20 0 DHADRP C[C@H]([NH2+]Cc1c(Cl)oc2ccccc21)C1CC[NH+](C)CC1 ZINC000396444773 1022100548 /nfs/dbraw/zinc/10/05/48/1022100548.db2.gz CSIDHONDKKRMTL-LBPRGKRZSA-N 2 0 306.837 3.906 20 0 DHADRP C[C@H]1C[N@H+](Cc2cc(F)ccc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205995980 1022184873 /nfs/dbraw/zinc/18/48/73/1022184873.db2.gz SRXRPEDAIXCGAJ-NWDGAFQWSA-N 2 0 318.358 3.651 20 0 DHADRP CCCC[NH+](CCCC)CCNc1cc[nH+]c(NC(=O)CC)c1 ZINC001167734344 1022203329 /nfs/dbraw/zinc/20/33/29/1022203329.db2.gz FKQGXWYVIJCUSA-UHFFFAOYSA-N 2 0 320.481 3.744 20 0 DHADRP CCCC[NH+](CCCC)CCNc1cccc2c1CC[C@H]2[NH3+] ZINC001167734785 1022206590 /nfs/dbraw/zinc/20/65/90/1022206590.db2.gz MARUALLUAUISDC-GOSISDBHSA-N 2 0 303.494 3.947 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC001169048544 1022229087 /nfs/dbraw/zinc/22/90/87/1022229087.db2.gz AABIBUOJWNEUAS-FQEVSTJZSA-N 2 0 302.506 3.965 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1c(Cl)cccc1Cl)C2 ZINC001169096438 1022243061 /nfs/dbraw/zinc/24/30/61/1022243061.db2.gz WQASHBFEGABDBC-CLLJXQQHSA-N 2 0 313.272 3.751 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000181911544 1022249947 /nfs/dbraw/zinc/24/99/47/1022249947.db2.gz QCRSNWUGXZSUOH-TZMCWYRMSA-N 2 0 316.367 3.720 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1ccccc1F)C2 ZINC001169119402 1022257977 /nfs/dbraw/zinc/25/79/77/1022257977.db2.gz SNCYXJHGNVBANH-OSYLJGHBSA-N 2 0 304.453 3.609 20 0 DHADRP COCC[C@H](C)[NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000153854218 1022258691 /nfs/dbraw/zinc/25/86/91/1022258691.db2.gz XJCQSWWXWGDEAV-DLBZAZTESA-N 2 0 304.478 3.665 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3c1cccc3Cl)C2 ZINC001169119806 1022259454 /nfs/dbraw/zinc/25/94/54/1022259454.db2.gz WJWNEKQKFQDBNE-QDMKHBRRSA-N 2 0 317.864 3.594 20 0 DHADRP FC(F)(F)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925535570 1022262928 /nfs/dbraw/zinc/26/29/28/1022262928.db2.gz HKMXHWLDTZUTHT-SSHXOBKSSA-N 2 0 318.427 3.865 20 0 DHADRP CC[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153959585 1022265731 /nfs/dbraw/zinc/26/57/31/1022265731.db2.gz RDMRDRHYCSXQLY-PKOBYXMFSA-N 2 0 318.505 3.911 20 0 DHADRP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169139484 1022266381 /nfs/dbraw/zinc/26/63/81/1022266381.db2.gz NPXOSBFRVRQTKH-ACDBMABISA-N 2 0 324.512 3.900 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C(C)(C)C[NH3+])c3ccccc31)C2 ZINC001169114100 1022269707 /nfs/dbraw/zinc/26/97/07/1022269707.db2.gz XJHKPDNMVGWCLS-MUJYYYPQSA-N 2 0 311.473 3.675 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccc(Cl)cc3)C1)C2 ZINC001169145991 1022277951 /nfs/dbraw/zinc/27/79/51/1022277951.db2.gz NWMLQIKGESTZJB-OWLYRPNTSA-N 2 0 304.865 3.755 20 0 DHADRP C[NH+](C)/C=C/c1ccncc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169147216 1022277975 /nfs/dbraw/zinc/27/79/75/1022277975.db2.gz QAHFKFUUDAORFK-ZGBSRSTJSA-N 2 0 316.493 3.570 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3cccc(Cl)c3)C1)C2 ZINC001169147081 1022277993 /nfs/dbraw/zinc/27/79/93/1022277993.db2.gz SRDALMNKNCOPRR-BGTYHANMSA-N 2 0 304.865 3.755 20 0 DHADRP C[NH+](C)/C=C/c1ccncc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169147212 1022278229 /nfs/dbraw/zinc/27/82/29/1022278229.db2.gz QAHFKFUUDAORFK-JBCHAPISSA-N 2 0 316.493 3.570 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Cc3cccc(F)c3)CC1)C2 ZINC001169153284 1022283157 /nfs/dbraw/zinc/28/31/57/1022283157.db2.gz IPJNDJAWCPIZPM-ACDBMABISA-N 2 0 316.464 3.705 20 0 DHADRP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003492 1022289649 /nfs/dbraw/zinc/28/96/49/1022289649.db2.gz ISCCTKNSOAJXDK-UONOGXRCSA-N 2 0 310.869 3.546 20 0 DHADRP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003491 1022290380 /nfs/dbraw/zinc/29/03/80/1022290380.db2.gz ISCCTKNSOAJXDK-KGLIPLIRSA-N 2 0 310.869 3.546 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccoc2)ccc1OC ZINC000182555213 1022293087 /nfs/dbraw/zinc/29/30/87/1022293087.db2.gz GFCDVFQGICAADH-HNNXBMFYSA-N 2 0 316.445 3.981 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)nc2)CCC[C@H]1C[NH3+] ZINC001206003950 1022298246 /nfs/dbraw/zinc/29/82/46/1022298246.db2.gz NZBIEOUIQOICRO-APWZRJJASA-N 2 0 309.457 3.555 20 0 DHADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CC2CCCCC2)CC1 ZINC001172223148 1033048672 /nfs/dbraw/zinc/04/86/72/1033048672.db2.gz OGVJIQCKFYEBRF-IHWFROFDSA-N 2 0 320.521 3.578 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000671098945 1022439972 /nfs/dbraw/zinc/43/99/72/1022439972.db2.gz JZLYFQPXKKBDHZ-SJORKVTESA-N 2 0 318.505 3.964 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)sc2C)[C@@H](C)C1 ZINC001169553848 1022448069 /nfs/dbraw/zinc/44/80/69/1022448069.db2.gz FNIUVBBGWDXUFA-KSSFIOAISA-N 2 0 324.534 3.592 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000271071817 1022457097 /nfs/dbraw/zinc/45/70/97/1022457097.db2.gz FJTKFVZCPXARSW-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CC3=CC[N@H+](C)CC3)ccc2c1 ZINC000271825540 1022484132 /nfs/dbraw/zinc/48/41/32/1022484132.db2.gz CYYDWDFBGWRZOD-OAHLLOKOSA-N 2 0 310.441 3.761 20 0 DHADRP C[C@H]([NH2+]Cc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272164250 1022494114 /nfs/dbraw/zinc/49/41/14/1022494114.db2.gz GOBFDQXVRCJEDD-DOTOQJQBSA-N 2 0 300.471 3.748 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc2c1CC[C@@H]2[NH3+] ZINC001169691771 1022503839 /nfs/dbraw/zinc/50/38/39/1022503839.db2.gz QQGAMENHBUPETF-MSOLQXFVSA-N 2 0 307.441 3.873 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(C2([NH3+])CC2)cc1 ZINC001169699413 1022510286 /nfs/dbraw/zinc/51/02/86/1022510286.db2.gz YEDMKHAROGPFNI-SFHVURJKSA-N 2 0 307.441 3.875 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052744 1022517791 /nfs/dbraw/zinc/51/77/91/1022517791.db2.gz ULNWCKGPBVOBHH-HZPDHXFCSA-N 2 0 304.478 3.856 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000314978959 1022617404 /nfs/dbraw/zinc/61/74/04/1022617404.db2.gz QEBQMICPUCUNBA-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000158244951 1022619701 /nfs/dbraw/zinc/61/97/01/1022619701.db2.gz XXVXMFYESQCHRO-NEPJUHHUSA-N 2 0 301.261 3.986 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)C(C)(C)C)CC1 ZINC001172245280 1033068002 /nfs/dbraw/zinc/06/80/02/1033068002.db2.gz QCOGSEWNUFHRMP-LJQANCHMSA-N 2 0 318.505 3.864 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000158967582 1022679728 /nfs/dbraw/zinc/67/97/28/1022679728.db2.gz AZVUNEUQNCNJIE-LZLYRXPVSA-N 2 0 306.519 3.547 20 0 DHADRP CCC(CC)[C@@H](NC[C@H](O)C[N@H+](C)C(C)C)c1cccs1 ZINC000660190513 1022680549 /nfs/dbraw/zinc/68/05/49/1022680549.db2.gz WRVJHIFNWPMEOF-DOTOQJQBSA-N 2 0 312.523 3.516 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCc3cccc(Cl)c3)C2)C1 ZINC000621297182 1022702141 /nfs/dbraw/zinc/70/21/41/1022702141.db2.gz DWUZXOYVCLYDCE-GOSISDBHSA-N 2 0 306.881 3.690 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172318174 1033083974 /nfs/dbraw/zinc/08/39/74/1033083974.db2.gz ZRCGHSDGUGFYEW-ROUUACIJSA-N 2 0 318.505 3.966 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172321401 1033084331 /nfs/dbraw/zinc/08/43/31/1033084331.db2.gz KGNJIHQSKLJYOG-WSTZPKSXSA-N 2 0 318.505 3.692 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(C)o1 ZINC000114504702 1022840847 /nfs/dbraw/zinc/84/08/47/1022840847.db2.gz ZNIUTQHQSWAFAE-UHFFFAOYSA-N 2 0 316.445 3.517 20 0 DHADRP COC1(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CCC1 ZINC000338997504 1022840903 /nfs/dbraw/zinc/84/09/03/1022840903.db2.gz NIQKNOJGVLSXIT-ZWKOTPCHSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621733831 1022847646 /nfs/dbraw/zinc/84/76/46/1022847646.db2.gz YSIGJVZCEXLIBL-RDJZCZTQSA-N 2 0 322.443 3.717 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001172326161 1033090347 /nfs/dbraw/zinc/09/03/47/1033090347.db2.gz CDNPJXVQAKSURX-IRXDYDNUSA-N 2 0 310.526 3.824 20 0 DHADRP Cc1ccc(OCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768211848 1022916066 /nfs/dbraw/zinc/91/60/66/1022916066.db2.gz GASQOCCKRGZMSE-UHFFFAOYSA-N 2 0 312.457 3.567 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000414929670 1022928331 /nfs/dbraw/zinc/92/83/31/1022928331.db2.gz RWJUOLXRJWXQBC-NWDGAFQWSA-N 2 0 306.759 3.718 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000414933069 1022941093 /nfs/dbraw/zinc/94/10/93/1022941093.db2.gz WMAGTOFULHWBHZ-IAGOWNOFSA-N 2 0 320.477 3.624 20 0 DHADRP C[C@@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000651466714 1022943728 /nfs/dbraw/zinc/94/37/28/1022943728.db2.gz HNCSJQYVPYFRNB-CQSZACIVSA-N 2 0 306.881 3.735 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000165300818 1022976701 /nfs/dbraw/zinc/97/67/01/1022976701.db2.gz MFPMQPIEVIPUMG-WMZOPIPTSA-N 2 0 314.498 3.963 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622043799 1023005076 /nfs/dbraw/zinc/00/50/76/1023005076.db2.gz MMSGDFLWJYJWMP-CABCVRRESA-N 2 0 312.379 3.944 20 0 DHADRP Cc1ccccc1C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298437904 1023032086 /nfs/dbraw/zinc/03/20/86/1023032086.db2.gz NIZJRBHWVHJHID-KRWDZBQOSA-N 2 0 309.457 3.580 20 0 DHADRP CCOc1ccc(C[C@@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000651489829 1023034198 /nfs/dbraw/zinc/03/41/98/1023034198.db2.gz LYJYIUDBJRERGS-SJORKVTESA-N 2 0 318.505 3.584 20 0 DHADRP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000649418252 1023038394 /nfs/dbraw/zinc/03/83/94/1023038394.db2.gz QDDJDZNUPLDVJP-LSDHHAIUSA-N 2 0 321.534 3.652 20 0 DHADRP CCCC[C@H](CC)CC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415130245 1023045504 /nfs/dbraw/zinc/04/55/04/1023045504.db2.gz WNIKRNNBZXKSNZ-UHOSZYNNSA-N 2 0 310.526 3.811 20 0 DHADRP C[NH+](C)Cc1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001204641374 1023046923 /nfs/dbraw/zinc/04/69/23/1023046923.db2.gz CSWWENAPYDMISB-UHFFFAOYSA-N 2 0 324.468 3.890 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001167755048 1023053471 /nfs/dbraw/zinc/05/34/71/1023053471.db2.gz ZHABRWCPANCQKE-PKOBYXMFSA-N 2 0 315.505 3.830 20 0 DHADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000364349289 1023067963 /nfs/dbraw/zinc/06/79/63/1023067963.db2.gz XCHMSVFPVYACJH-MOPGFXCFSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000089215411 1023072380 /nfs/dbraw/zinc/07/23/80/1023072380.db2.gz JOZIRGGCTDOKGW-NRFANRHFSA-N 2 0 321.468 3.884 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2sccc2Cl)cc1 ZINC000193010022 1023073894 /nfs/dbraw/zinc/07/38/94/1023073894.db2.gz OSMCDQWSJIQDOB-UHFFFAOYSA-N 2 0 324.877 3.632 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C[C@@H]1C ZINC001172372796 1033106403 /nfs/dbraw/zinc/10/64/03/1033106403.db2.gz IZZWFZOVYPCYBF-OWSLCNJRSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCCCC2)CCN1C ZINC000769484208 1023151974 /nfs/dbraw/zinc/15/19/74/1023151974.db2.gz GIWHXAZKEKGQSA-IEBWSBKVSA-N 2 0 315.505 3.591 20 0 DHADRP C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769501763 1023168863 /nfs/dbraw/zinc/16/88/63/1023168863.db2.gz QEEFNCKOKCNCMA-HNNXBMFYSA-N 2 0 302.487 3.873 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001172332531 1033117260 /nfs/dbraw/zinc/11/72/60/1033117260.db2.gz IKVMWJXKEUSLHU-SJORKVTESA-N 2 0 304.478 3.530 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)[C@H](C)C1 ZINC000876764988 1033138656 /nfs/dbraw/zinc/13/86/56/1033138656.db2.gz ROWNIZQSSJYHAJ-DOMZBBRYSA-N 2 0 321.852 3.643 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)C[C@H]1C ZINC001172362351 1033140923 /nfs/dbraw/zinc/14/09/23/1033140923.db2.gz WOLUPQWTSVOQGY-OAGGEKHMSA-N 2 0 324.534 3.989 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CCSCc2ccc(C[NH+](C)C)o2)C[C@@H]1C ZINC001172362352 1033141372 /nfs/dbraw/zinc/14/13/72/1033141372.db2.gz WOLUPQWTSVOQGY-OWCLPIDISA-N 2 0 324.534 3.989 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C[C@H]1C ZINC001172367280 1033146729 /nfs/dbraw/zinc/14/67/29/1033146729.db2.gz LKOSGEPMQAGYBW-NUJGCVRESA-N 2 0 304.478 3.541 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651833823 1023581621 /nfs/dbraw/zinc/58/16/21/1023581621.db2.gz QFFITPSAYWPENI-PIMMBPRGSA-N 2 0 310.844 3.929 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C[C@@H]1C ZINC001172365554 1033144542 /nfs/dbraw/zinc/14/45/42/1033144542.db2.gz ABKDMIUEIBPXES-JTDSTZFVSA-N 2 0 318.480 3.986 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)C[C@H]1C ZINC001172368507 1033148846 /nfs/dbraw/zinc/14/88/46/1033148846.db2.gz ITPBBRJPWACPOL-LMMKCTJWSA-N 2 0 300.490 3.847 20 0 DHADRP CC[C@H](OCC[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000651908332 1023630567 /nfs/dbraw/zinc/63/05/67/1023630567.db2.gz BKIMONBZLUNTCL-FQEVSTJZSA-N 2 0 316.489 3.618 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893470673 1023654809 /nfs/dbraw/zinc/65/48/09/1023654809.db2.gz JPKHHEYCQUQJNE-UHFFFAOYSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C[C@@H]1C ZINC001172371015 1033152163 /nfs/dbraw/zinc/15/21/63/1033152163.db2.gz SLKDBGCBCRQVML-RYRKJORJSA-N 2 0 318.480 3.986 20 0 DHADRP C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652326238 1023781618 /nfs/dbraw/zinc/78/16/18/1023781618.db2.gz CQOLVMYIGHEYTM-OAHLLOKOSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347938 1023806637 /nfs/dbraw/zinc/80/66/37/1023806637.db2.gz PNZQOEDICSLUFG-LLDVTBCESA-N 2 0 322.880 3.619 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC2CC[NH+](C)CC2)C2CC2)o1 ZINC000788470552 1023889826 /nfs/dbraw/zinc/88/98/26/1023889826.db2.gz KEGAGMVSLQDSPW-KDOFPFPSSA-N 2 0 302.462 3.709 20 0 DHADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)CC1 ZINC000788479614 1023891416 /nfs/dbraw/zinc/89/14/16/1023891416.db2.gz XISZMAIPFMPTTB-KRWDZBQOSA-N 2 0 306.881 3.689 20 0 DHADRP C[NH+]1CCC(C[NH+]2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000788485472 1023893339 /nfs/dbraw/zinc/89/33/39/1023893339.db2.gz LBIMVDRPLUHVOO-UHFFFAOYSA-N 2 0 322.880 3.525 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788498302 1023894838 /nfs/dbraw/zinc/89/48/38/1023894838.db2.gz NCZGHDIMWKMAAP-DZGCQCFKSA-N 2 0 309.885 3.822 20 0 DHADRP C[NH+]1CCC(C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000788482587 1023900599 /nfs/dbraw/zinc/90/05/99/1023900599.db2.gz WZNFDDIOVBHHPK-QGZVFWFLSA-N 2 0 324.921 3.772 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529087 1023907234 /nfs/dbraw/zinc/90/72/34/1023907234.db2.gz QQILSDQXQZMIIQ-ZBFHGGJFSA-N 2 0 321.896 3.824 20 0 DHADRP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000788622190 1023915065 /nfs/dbraw/zinc/91/50/65/1023915065.db2.gz PUHOENKUGOKOKG-OALUTQOASA-N 2 0 318.505 3.597 20 0 DHADRP COc1cc[nH+]c(N([C@H](C)CCCC(C)C)C2CC[NH2+]CC2)c1 ZINC001170089765 1023939876 /nfs/dbraw/zinc/93/98/76/1023939876.db2.gz DBTBHYJRECTLCH-MRXNPFEDSA-N 2 0 319.493 3.863 20 0 DHADRP C[N@H+](CCC[NH3+])[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408352 1023986327 /nfs/dbraw/zinc/98/63/27/1023986327.db2.gz ZYMYPHHVLNUSFE-CABCVRRESA-N 2 0 300.368 3.622 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000194837381 1024018018 /nfs/dbraw/zinc/01/80/18/1024018018.db2.gz LADBYKDDJLXGNG-MRXNPFEDSA-N 2 0 310.441 3.839 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000925760998 1024046908 /nfs/dbraw/zinc/04/69/08/1024046908.db2.gz WQJKSNWDNWHBBS-DLBZAZTESA-N 2 0 301.478 3.620 20 0 DHADRP Fc1cccc(C2([NH2+]Cc3cccc4c3CC[NH2+]C4)CCC2)c1 ZINC000662285445 1024069819 /nfs/dbraw/zinc/06/98/19/1024069819.db2.gz JYRAHYKCQUSFDK-UHFFFAOYSA-N 2 0 310.416 3.640 20 0 DHADRP CC[C@@H](CC(C)C)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001172397807 1033180549 /nfs/dbraw/zinc/18/05/49/1033180549.db2.gz CGDWEHKCZHJCBY-HXBUSHRASA-N 2 0 322.477 3.947 20 0 DHADRP c1ccc2sc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000662295013 1024079151 /nfs/dbraw/zinc/07/91/51/1024079151.db2.gz YBNAHPAGEKIPOG-HNNXBMFYSA-N 2 0 315.486 3.508 20 0 DHADRP CC[C@H](CC(C)C)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001172397809 1033181048 /nfs/dbraw/zinc/18/10/48/1033181048.db2.gz CGDWEHKCZHJCBY-ZZWBGTBQSA-N 2 0 322.477 3.947 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)[C@@H]1CCC[NH3+] ZINC000662315709 1024101191 /nfs/dbraw/zinc/10/11/91/1024101191.db2.gz JFFZCRRIJCWELM-CZUORRHYSA-N 2 0 319.474 3.743 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)[C@@H]1CCC[NH3+] ZINC000662316209 1024102364 /nfs/dbraw/zinc/10/23/64/1024102364.db2.gz KQAJLZBTEVXCML-CRAIPNDOSA-N 2 0 313.445 3.681 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268672264 1024141306 /nfs/dbraw/zinc/14/13/06/1024141306.db2.gz UMYIQWYBXZTGPG-KRWDZBQOSA-N 2 0 324.472 3.526 20 0 DHADRP Cc1nccn1CCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000268719361 1024146596 /nfs/dbraw/zinc/14/65/96/1024146596.db2.gz VMMUDZVDYFIECX-UHFFFAOYSA-N 2 0 314.820 3.573 20 0 DHADRP Cc1ccsc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268790264 1024161243 /nfs/dbraw/zinc/16/12/43/1024161243.db2.gz FUPKYQUCOZDCLL-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP C[C@H](NC1(C[NH2+]C[C@@H]2CCC=CO2)CCCC1)c1ccccc1 ZINC000789743435 1024161888 /nfs/dbraw/zinc/16/18/88/1024161888.db2.gz ANLNRCNNOFJEAU-HKUYNNGSSA-N 2 0 314.473 3.932 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc2c1CCOC2 ZINC000882892162 1024162028 /nfs/dbraw/zinc/16/20/28/1024162028.db2.gz OYDZFMDYDRCUIH-KRWDZBQOSA-N 2 0 316.489 3.504 20 0 DHADRP Fc1ccc(Cl)cc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345948 1024175041 /nfs/dbraw/zinc/17/50/41/1024175041.db2.gz PJNPWKNBGBQJPU-AWEZNQCLSA-N 2 0 310.844 3.691 20 0 DHADRP c1nc(C2CCC2)sc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345049 1024175575 /nfs/dbraw/zinc/17/55/75/1024175575.db2.gz GGPFVCISOQIQHV-HNNXBMFYSA-N 2 0 319.518 3.622 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000925766719 1024184867 /nfs/dbraw/zinc/18/48/67/1024184867.db2.gz LLSQEFMFADDSLZ-OXQOHEQNSA-N 2 0 311.473 3.767 20 0 DHADRP COc1cccc(C[N@H+]([C@@H]2CC[C@@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001170122006 1024187012 /nfs/dbraw/zinc/18/70/12/1024187012.db2.gz OTTPDLBVDHERCS-NXWXRZEISA-N 2 0 316.489 3.956 20 0 DHADRP CC(C)COCC[C@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172478528 1033192003 /nfs/dbraw/zinc/19/20/03/1033192003.db2.gz AZCRWLDFGMFQEC-GBESFXJTSA-N 2 0 310.526 3.776 20 0 DHADRP CC(C)[C@H]1[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC12CCC2 ZINC000644835255 1024196925 /nfs/dbraw/zinc/19/69/25/1024196925.db2.gz FAJMABCOYDVHIT-LJQANCHMSA-N 2 0 316.489 3.638 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1F ZINC000531699233 1024274274 /nfs/dbraw/zinc/27/42/74/1024274274.db2.gz IMNAOGAXOFIWTE-ZIAGYGMSSA-N 2 0 310.482 3.930 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531699825 1024274735 /nfs/dbraw/zinc/27/47/35/1024274735.db2.gz KOSWCPQOEWEJQQ-RYRKJORJSA-N 2 0 304.478 3.856 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000531716047 1024281546 /nfs/dbraw/zinc/28/15/46/1024281546.db2.gz UKTVZGJHEVTEMZ-VQTJNVASSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000453068342 1024298634 /nfs/dbraw/zinc/29/86/34/1024298634.db2.gz YJTFJVLDQINMBU-RBUKOAKNSA-N 2 0 317.521 3.895 20 0 DHADRP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)OC1 ZINC000883243371 1024313017 /nfs/dbraw/zinc/31/30/17/1024313017.db2.gz JKDFKVJOAUWSIS-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000453082081 1024321870 /nfs/dbraw/zinc/32/18/70/1024321870.db2.gz MBFAJBGKUQLYBB-LZWOXQAQSA-N 2 0 310.507 3.597 20 0 DHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC000663415206 1024325723 /nfs/dbraw/zinc/32/57/23/1024325723.db2.gz AXPSZUSKHXYYMC-ZBFHGGJFSA-N 2 0 306.413 3.810 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877019652 1033207896 /nfs/dbraw/zinc/20/78/96/1033207896.db2.gz BMSDBIMDQHSLIL-UHFFFAOYSA-N 2 0 323.893 3.771 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877019540 1033207947 /nfs/dbraw/zinc/20/79/47/1033207947.db2.gz NSCBCNPFWYZEAS-UHFFFAOYSA-N 2 0 321.852 3.693 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001170144497 1024380180 /nfs/dbraw/zinc/38/01/80/1024380180.db2.gz KJYMHBSMNFFRCD-AEFFLSMTSA-N 2 0 302.462 3.756 20 0 DHADRP CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(C)(C)C ZINC000453195393 1024392999 /nfs/dbraw/zinc/39/29/99/1024392999.db2.gz JVNSTMFRVAFRBJ-MOPGFXCFSA-N 2 0 318.505 3.558 20 0 DHADRP CC1(C)CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925775886 1024397551 /nfs/dbraw/zinc/39/75/51/1024397551.db2.gz HXLMGMBVOVDSMP-XJKSGUPXSA-N 2 0 308.416 3.634 20 0 DHADRP CC[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1F ZINC000663468233 1024419434 /nfs/dbraw/zinc/41/94/34/1024419434.db2.gz KRDLSVZJDLONLS-LPHOPBHVSA-N 2 0 304.453 3.988 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)c(C)c1 ZINC000453240493 1024420252 /nfs/dbraw/zinc/42/02/52/1024420252.db2.gz CLPKALLOLJLIAH-JENIJYKNSA-N 2 0 300.490 3.653 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001172454726 1033210246 /nfs/dbraw/zinc/21/02/46/1033210246.db2.gz BSFGFTFABJRTPI-PKOBYXMFSA-N 2 0 306.494 3.720 20 0 DHADRP c1ccc([C@H]2CSCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000883460574 1024440127 /nfs/dbraw/zinc/44/01/27/1024440127.db2.gz ANZKTNIGMDYERC-SJLPKXTDSA-N 2 0 304.503 3.556 20 0 DHADRP CC[C@](C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000453300369 1024446840 /nfs/dbraw/zinc/44/68/40/1024446840.db2.gz MBSRXKMIMWDIQU-YSTOQKLRSA-N 2 0 316.489 3.587 20 0 DHADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000166027152 1024448031 /nfs/dbraw/zinc/44/80/31/1024448031.db2.gz CWAFIVCZPWXPHD-QUCCMNQESA-N 2 0 316.489 3.620 20 0 DHADRP Cc1ccncc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453330326 1024451278 /nfs/dbraw/zinc/45/12/78/1024451278.db2.gz SHDJXINFJPXWOR-WKCHPHFGSA-N 2 0 321.468 3.675 20 0 DHADRP Cc1ccncc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453330325 1024451513 /nfs/dbraw/zinc/45/15/13/1024451513.db2.gz SHDJXINFJPXWOR-MZADTFQBSA-N 2 0 321.468 3.675 20 0 DHADRP C[C@@H](c1cccnc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271408366 1024499046 /nfs/dbraw/zinc/49/90/46/1024499046.db2.gz YEOSCAPLYPFDCX-KRWDZBQOSA-N 2 0 324.472 3.776 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001172463712 1033215391 /nfs/dbraw/zinc/21/53/91/1033215391.db2.gz RTUJQKHNRHBHSB-QGZVFWFLSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(F)c(F)c(F)c1 ZINC000453408204 1024503599 /nfs/dbraw/zinc/50/35/99/1024503599.db2.gz SNOSUIDSBQASAS-NSHDSACASA-N 2 0 300.368 3.629 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000453409312 1024505198 /nfs/dbraw/zinc/50/51/98/1024505198.db2.gz GDNGLWWTGDXRDB-JXFKEZNVSA-N 2 0 315.505 3.565 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000453415028 1024508636 /nfs/dbraw/zinc/50/86/36/1024508636.db2.gz WYXGSMHXTTVDDU-AZUAARDMSA-N 2 0 300.490 3.961 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cnc2ccsc2c1 ZINC000453394808 1024510390 /nfs/dbraw/zinc/51/03/90/1024510390.db2.gz HEGNCYVFCIONCP-CYBMUJFWSA-N 2 0 303.475 3.821 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453396393 1024511661 /nfs/dbraw/zinc/51/16/61/1024511661.db2.gz IORZECVHERQLJD-OAHLLOKOSA-N 2 0 306.519 3.804 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453395328 1024512519 /nfs/dbraw/zinc/51/25/19/1024512519.db2.gz HSXNRHNJCNJWMH-JKSUJKDBSA-N 2 0 304.478 3.651 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCOC(C)(C)C3)CC2)C1 ZINC000453444443 1024516166 /nfs/dbraw/zinc/51/61/66/1024516166.db2.gz YEOIMSCZVMYZOU-ZIFCJYIRSA-N 2 0 322.537 3.824 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001167827864 1024517690 /nfs/dbraw/zinc/51/76/90/1024517690.db2.gz YRFFALLHVUKXPK-SFHVURJKSA-N 3 0 323.569 3.551 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000643522361 1024518499 /nfs/dbraw/zinc/51/84/99/1024518499.db2.gz LZPCABCQVPBPPZ-DZGCQCFKSA-N 2 0 310.869 3.920 20 0 DHADRP C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(-n2ccnc2)cc1 ZINC000453424152 1024518670 /nfs/dbraw/zinc/51/86/70/1024518670.db2.gz NIVDPOUWGCLEBF-CYBMUJFWSA-N 2 0 305.372 3.958 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000643523116 1024520468 /nfs/dbraw/zinc/52/04/68/1024520468.db2.gz WVMAUXDWMLQITQ-WMZOPIPTSA-N 2 0 302.462 3.755 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)CC[N@@H+]1C ZINC000271506064 1024525782 /nfs/dbraw/zinc/52/57/82/1024525782.db2.gz RRIWBQROYUYIBU-RDJZCZTQSA-N 2 0 302.462 3.580 20 0 DHADRP c1cc2c(cc[nH+]c2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH]1 ZINC000663542135 1024532547 /nfs/dbraw/zinc/53/25/47/1024532547.db2.gz VWDYJRXGKKCRDL-INIZCTEOSA-N 2 0 312.461 3.655 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453594990 1024535188 /nfs/dbraw/zinc/53/51/88/1024535188.db2.gz JHCSHTMHCROVMV-UHFFFAOYSA-N 2 0 314.395 3.978 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000453594982 1024536012 /nfs/dbraw/zinc/53/60/12/1024536012.db2.gz JDIZCVMHXVSTIA-UHFFFAOYSA-N 2 0 318.358 3.809 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000271544612 1024537427 /nfs/dbraw/zinc/53/74/27/1024537427.db2.gz UVBVSQTYDVFPOA-YPMHNXCESA-N 2 0 323.893 3.565 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000643547899 1024549489 /nfs/dbraw/zinc/54/94/89/1024549489.db2.gz KNDSDBUCHRCYAK-PBHICJAKSA-N 2 0 308.416 3.926 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000271603066 1024550312 /nfs/dbraw/zinc/55/03/12/1024550312.db2.gz VQGZNIFFIMXHCY-QGZVFWFLSA-N 2 0 303.494 3.799 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(F)(F)F)CC1 ZINC000532164905 1024567977 /nfs/dbraw/zinc/56/79/77/1024567977.db2.gz JVIGUANBCSZXNT-AWEZNQCLSA-N 2 0 306.416 3.915 20 0 DHADRP C[C@H](CC[NH+]1CCC(C(F)F)CC1)[NH+]1CCC(C(F)F)CC1 ZINC000432017355 1024568986 /nfs/dbraw/zinc/56/89/86/1024568986.db2.gz BYEZRTYMEHQXTJ-GFCCVEGCSA-N 2 0 324.406 3.719 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1Cc2cc(OC)c(OC)cc2C1 ZINC001167833898 1024579513 /nfs/dbraw/zinc/57/95/13/1024579513.db2.gz FLRDNPWAMJWHDN-HNNXBMFYSA-N 2 0 320.477 3.530 20 0 DHADRP CC[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](CC)C1)C1CCOCC1 ZINC000532224840 1024580608 /nfs/dbraw/zinc/58/06/08/1024580608.db2.gz AWOZZLNYFNOCEE-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167834152 1024583885 /nfs/dbraw/zinc/58/38/85/1024583885.db2.gz IGUCYEIJMGOXLC-SFHVURJKSA-N 3 0 311.558 3.693 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000532237305 1024586856 /nfs/dbraw/zinc/58/68/56/1024586856.db2.gz BGINIOVZFNPQHQ-LJQANCHMSA-N 2 0 318.530 3.729 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390898311 1024620637 /nfs/dbraw/zinc/62/06/37/1024620637.db2.gz FOCDBYHWJDGPQI-KBAYOESNSA-N 2 0 318.530 3.628 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001167836795 1024621958 /nfs/dbraw/zinc/62/19/58/1024621958.db2.gz HIZHLZSMKZMUFS-HSALFYBXSA-N 3 0 323.569 3.836 20 0 DHADRP C[NH+](C)CCC1CCN(Cc2ccc(Cl)nc2Cl)CC1 ZINC000283391202 1024655959 /nfs/dbraw/zinc/65/59/59/1024655959.db2.gz DJDXPCJRHDQQRL-UHFFFAOYSA-N 2 0 316.276 3.552 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(c1)CCO2 ZINC000349012678 1024660211 /nfs/dbraw/zinc/66/02/11/1024660211.db2.gz UJWJIMDPJKVEJB-UHFFFAOYSA-N 2 0 324.468 3.705 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Cc2ccncc2)CC1 ZINC001167841722 1024662270 /nfs/dbraw/zinc/66/22/70/1024662270.db2.gz PPCKLSOCPKWPHC-GOSISDBHSA-N 2 0 317.521 3.847 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)C2)CC1 ZINC000349142885 1024681478 /nfs/dbraw/zinc/68/14/78/1024681478.db2.gz AIZNUDOHPMRQMW-OAHLLOKOSA-N 2 0 316.420 3.736 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)CC1(OC)CCCCC1 ZINC000349186473 1024684099 /nfs/dbraw/zinc/68/40/99/1024684099.db2.gz JMFRSBBYLMYORV-UHFFFAOYSA-N 2 0 307.482 3.507 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1[nH+]ccc2[nH]ccc21 ZINC000663651349 1024706374 /nfs/dbraw/zinc/70/63/74/1024706374.db2.gz CPGMMCKOMKAGGD-MRXNPFEDSA-N 2 0 320.440 3.664 20 0 DHADRP C[C@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001170259985 1024716735 /nfs/dbraw/zinc/71/67/35/1024716735.db2.gz FPVSSWIUICVKRO-CQSZACIVSA-N 2 0 306.881 3.735 20 0 DHADRP C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000663676074 1024769600 /nfs/dbraw/zinc/76/96/00/1024769600.db2.gz ZCABPXNDDUBCFE-MRXNPFEDSA-N 2 0 320.440 3.664 20 0 DHADRP Cc1[nH+]ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c1Cl ZINC000350285695 1024802240 /nfs/dbraw/zinc/80/22/40/1024802240.db2.gz HFSNIUOKUHACOD-CQSZACIVSA-N 2 0 321.877 3.776 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000877113188 1033241613 /nfs/dbraw/zinc/24/16/13/1033241613.db2.gz CRWRFALOJQYCPT-WLYUNCDWSA-N 2 0 319.320 3.813 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CCN1Cc1ccccc1 ZINC000119361945 1024965092 /nfs/dbraw/zinc/96/50/92/1024965092.db2.gz WHRWSXCNIPEDJY-QXAKKESOSA-N 2 0 316.489 3.587 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000227825701 1024990035 /nfs/dbraw/zinc/99/00/35/1024990035.db2.gz NIBVYWLNGYPEAJ-UHFFFAOYSA-N 2 0 323.687 3.524 20 0 DHADRP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CC[C@@](C)(c3ccccc3)C2)CCN1C ZINC000187363397 1025001147 /nfs/dbraw/zinc/00/11/47/1025001147.db2.gz HVTZXPIGJXFANF-VBSBHUPXSA-N 2 0 300.490 3.911 20 0 DHADRP c1c[nH]c(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001204009807 1025009865 /nfs/dbraw/zinc/00/98/65/1025009865.db2.gz DOMRJPAJQVOUAO-UHFFFAOYSA-N 2 0 323.484 3.893 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000648490244 1025024818 /nfs/dbraw/zinc/02/48/18/1025024818.db2.gz OGODUEUBIQKCHJ-SJORKVTESA-N 2 0 300.490 3.860 20 0 DHADRP Clc1ccc(Oc2ccc(CN3CCC[NH2+]CC3)cc2)cc1 ZINC001204674870 1025030639 /nfs/dbraw/zinc/03/06/39/1025030639.db2.gz HBESRKAFSSMBOM-UHFFFAOYSA-N 2 0 316.832 3.928 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000353386718 1025052796 /nfs/dbraw/zinc/05/27/96/1025052796.db2.gz MVNYXEFWBOQQNP-FHERZECASA-N 2 0 320.477 3.536 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000353543182 1025121031 /nfs/dbraw/zinc/12/10/31/1025121031.db2.gz AGRRVXCENLTERV-IBGZPJMESA-N 2 0 315.436 3.769 20 0 DHADRP Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)cc[nH+]1 ZINC001172566825 1033262152 /nfs/dbraw/zinc/26/21/52/1033262152.db2.gz ZOXZUSCRBUVAQN-WOJBJXKFSA-N 2 0 321.468 3.848 20 0 DHADRP CSC1(C[NH2+][C@H](c2ccc(C)o2)C2CCC2)CC[NH+](C)CC1 ZINC000353629603 1025161807 /nfs/dbraw/zinc/16/18/07/1025161807.db2.gz ZCPVTQUBKAPVKU-KRWDZBQOSA-N 2 0 322.518 3.846 20 0 DHADRP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1OC(F)F ZINC000122855685 1025216160 /nfs/dbraw/zinc/21/61/60/1025216160.db2.gz AZDUQDPDAIXXRJ-GFCCVEGCSA-N 2 0 310.388 3.565 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000040622779 1025242750 /nfs/dbraw/zinc/24/27/50/1025242750.db2.gz XXSQFUPOZCSSEM-FHERZECASA-N 2 0 306.881 3.906 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1 ZINC000112518424 1025247587 /nfs/dbraw/zinc/24/75/87/1025247587.db2.gz MVFWVPRXARTNOF-KRWDZBQOSA-N 2 0 309.457 3.918 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1(C)C ZINC000623426544 1025261685 /nfs/dbraw/zinc/26/16/85/1025261685.db2.gz QLGMRYVHXFNFGZ-CEXWTWQISA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172574701 1033271520 /nfs/dbraw/zinc/27/15/20/1033271520.db2.gz CWJAGXHMSNQJEK-LBPRGKRZSA-N 2 0 318.839 3.999 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2cc(OCC3CC3)cc[nH+]2)CC1(C)C ZINC001170449893 1025294200 /nfs/dbraw/zinc/29/42/00/1025294200.db2.gz AHZBTVMDOSQLHS-UHFFFAOYSA-N 2 0 317.477 3.934 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261627934 1025302297 /nfs/dbraw/zinc/30/22/97/1025302297.db2.gz GWKPFYQRJYCFCP-SLFFLAALSA-N 2 0 323.484 3.678 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccccc1 ZINC000925854922 1025328302 /nfs/dbraw/zinc/32/83/02/1025328302.db2.gz BHBIFCRAOSXTHI-DLBZAZTESA-N 2 0 304.503 3.875 20 0 DHADRP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CCS2 ZINC000925857675 1025333149 /nfs/dbraw/zinc/33/31/49/1025333149.db2.gz HUYDCGVHKXBTKW-YESZJQIVSA-N 2 0 308.535 3.563 20 0 DHADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CCS2 ZINC000925857664 1025333409 /nfs/dbraw/zinc/33/34/09/1025333409.db2.gz HUYDCGVHKXBTKW-IKGGRYGDSA-N 2 0 308.535 3.563 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000124355145 1025336762 /nfs/dbraw/zinc/33/67/62/1025336762.db2.gz UXLUVRGVOUXACJ-CVEARBPZSA-N 2 0 324.468 3.983 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000897448555 1025343497 /nfs/dbraw/zinc/34/34/97/1025343497.db2.gz XEHIQEIGCYHJIO-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875661 1025401212 /nfs/dbraw/zinc/40/12/12/1025401212.db2.gz LFUGWICEHMPPNY-BJJXKVORSA-N 2 0 314.395 3.744 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000123985585 1025407125 /nfs/dbraw/zinc/40/71/25/1025407125.db2.gz KEHBUXVJOGLIFO-QGZVFWFLSA-N 2 0 304.478 3.574 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000885953927 1025416815 /nfs/dbraw/zinc/41/68/15/1025416815.db2.gz JRHBGKSXDCWWOB-IEBWSBKVSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000925879364 1025421789 /nfs/dbraw/zinc/42/17/89/1025421789.db2.gz BWLDJGVJHNTDDX-ZLDLUXBVSA-N 2 0 316.367 3.753 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000886012449 1025439162 /nfs/dbraw/zinc/43/91/62/1025439162.db2.gz ICHQTEMEAPDXBI-RGVPCPSESA-N 2 0 308.510 3.721 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125780561 1025491814 /nfs/dbraw/zinc/49/18/14/1025491814.db2.gz MPZOIPNHJVZVMO-MJGOQNOKSA-N 2 0 316.489 3.919 20 0 DHADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CC[PH+](C(C)C)C(C)C)C1 ZINC001172610938 1033289562 /nfs/dbraw/zinc/28/95/62/1033289562.db2.gz WQGKPVAAPQPASK-GJZGRUSLSA-N 2 0 301.411 3.607 20 0 DHADRP COCc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000886497277 1025655193 /nfs/dbraw/zinc/65/51/93/1025655193.db2.gz ZRMLOBQNZGPQAX-UHFFFAOYSA-N 2 0 316.489 3.720 20 0 DHADRP COCCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000355277098 1025662941 /nfs/dbraw/zinc/66/29/41/1025662941.db2.gz CUFMSNUYTQLSSU-AABGKKOBSA-N 2 0 316.489 3.761 20 0 DHADRP COCCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000355277100 1025664287 /nfs/dbraw/zinc/66/42/87/1025664287.db2.gz CUFMSNUYTQLSSU-UFYCRDLUSA-N 2 0 316.489 3.761 20 0 DHADRP Cc1nc(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)sc1C ZINC000925281082 1025666367 /nfs/dbraw/zinc/66/63/67/1025666367.db2.gz DOFNENRQVJZSEF-AWEZNQCLSA-N 2 0 317.502 3.715 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000886526556 1025675929 /nfs/dbraw/zinc/67/59/29/1025675929.db2.gz NSKGNCBEYDVYND-IPJUCJBFSA-N 2 0 318.509 3.912 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000886558356 1025706836 /nfs/dbraw/zinc/70/68/36/1025706836.db2.gz IBUFBYHERGZXGR-IOJLRTSASA-N 2 0 313.489 3.919 20 0 DHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886559068 1025708049 /nfs/dbraw/zinc/70/80/49/1025708049.db2.gz ZGEXEPFZPNSHCW-SFANZJOMSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000359872589 1025724154 /nfs/dbraw/zinc/72/41/54/1025724154.db2.gz PFYFFRYPWZODLW-WBVHZDCISA-N 2 0 321.534 3.708 20 0 DHADRP C[C@@H]1CC(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000886606894 1025733921 /nfs/dbraw/zinc/73/39/21/1025733921.db2.gz ICYRJNUCVCJPFP-NXMBOHNASA-N 2 0 322.537 3.967 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000886605488 1025734094 /nfs/dbraw/zinc/73/40/94/1025734094.db2.gz SBZSDRXPIAISPD-QQFBHYJXSA-N 2 0 300.437 3.809 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000886615339 1025740879 /nfs/dbraw/zinc/74/08/79/1025740879.db2.gz DOMKPVJJDHQYPP-UHFFFAOYSA-N 3 0 321.553 3.639 20 0 DHADRP CC(C)(C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)OCC1CC1 ZINC000886625128 1025747318 /nfs/dbraw/zinc/74/73/18/1025747318.db2.gz JNFUDLFDFROKLM-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP CCSCC[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000355734649 1025824848 /nfs/dbraw/zinc/82/48/48/1025824848.db2.gz NILOYSRTJCMVRU-INIZCTEOSA-N 2 0 306.519 3.904 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886733015 1025846033 /nfs/dbraw/zinc/84/60/33/1025846033.db2.gz XHKAZMQQYAEXTI-XBMUEBEBSA-N 2 0 320.521 3.722 20 0 DHADRP Cc1csc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000623863864 1025894410 /nfs/dbraw/zinc/89/44/10/1025894410.db2.gz AQKYAKVKOYSLDE-FMKPAKJESA-N 2 0 309.523 3.860 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccnnc1 ZINC000924870543 1025909806 /nfs/dbraw/zinc/90/98/06/1025909806.db2.gz RPHMBHWJCUMYIV-KRWDZBQOSA-N 2 0 324.472 3.703 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623864424 1025955868 /nfs/dbraw/zinc/95/58/68/1025955868.db2.gz OLLMJTPPCGQPHH-OWCLPIDISA-N 2 0 321.534 3.868 20 0 DHADRP CCc1ccc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000089215029 1026037687 /nfs/dbraw/zinc/03/76/87/1026037687.db2.gz HPSDCWPEISJPQI-OAHLLOKOSA-N 2 0 313.445 3.804 20 0 DHADRP COc1cccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001167919131 1026094921 /nfs/dbraw/zinc/09/49/21/1026094921.db2.gz TWGLARNUDLBXIA-BSHDOZJQSA-N 2 0 314.473 3.566 20 0 DHADRP CCOCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245706165 1026142672 /nfs/dbraw/zinc/14/26/72/1026142672.db2.gz MLURAAPQHYFORM-ACDBMABISA-N 2 0 316.489 3.588 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)s1 ZINC000122274409 1026179486 /nfs/dbraw/zinc/17/94/86/1026179486.db2.gz SOGICMOAUJCEIO-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCCS2)C3)cc1 ZINC000245736426 1026184952 /nfs/dbraw/zinc/18/49/52/1026184952.db2.gz QXJVEOAZPWXLGO-AKHDSKFASA-N 2 0 316.514 3.667 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000289899199 1026222913 /nfs/dbraw/zinc/22/29/13/1026222913.db2.gz NIFCKBUZHDCBQM-YVGNARHYSA-N 2 0 324.415 3.623 20 0 DHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000576399668 1026279509 /nfs/dbraw/zinc/27/95/09/1026279509.db2.gz OBYCNXUXAZXBRN-CHWSQXEVSA-N 2 0 304.821 3.769 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647796850 1026318246 /nfs/dbraw/zinc/31/82/46/1026318246.db2.gz PPMGEBCPXPUNJQ-NXWXRZEISA-N 2 0 316.489 3.555 20 0 DHADRP CCCCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000808701070 1026375984 /nfs/dbraw/zinc/37/59/84/1026375984.db2.gz PCIIUXQVJYKOJN-SFHVURJKSA-N 2 0 311.558 3.597 20 0 DHADRP CC(C)C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000808733957 1026385335 /nfs/dbraw/zinc/38/53/35/1026385335.db2.gz GMYDZGDWHSSBIV-KRWDZBQOSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204734665 1026430999 /nfs/dbraw/zinc/43/09/99/1026430999.db2.gz APLZKHXKHCZPFZ-UHFFFAOYSA-N 2 0 316.489 3.687 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000513335400 1026480446 /nfs/dbraw/zinc/48/04/46/1026480446.db2.gz OVNONIQQTPGVLJ-AHRSYUTCSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000513334599 1026480555 /nfs/dbraw/zinc/48/05/55/1026480555.db2.gz ICJWNAILIKJKGG-FFZOFVMBSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1ncccc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513506210 1026525741 /nfs/dbraw/zinc/52/57/41/1026525741.db2.gz PBPUBJDQTXUBSF-PXNSSMCTSA-N 2 0 323.484 3.780 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000513683060 1026559354 /nfs/dbraw/zinc/55/93/54/1026559354.db2.gz FXPCVENWXPQCPV-FGTMMUONSA-N 2 0 306.881 3.735 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000513683119 1026559679 /nfs/dbraw/zinc/55/96/79/1026559679.db2.gz GSRNZYZGCJVZMW-ACRUOGEOSA-N 2 0 308.469 3.845 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000513665370 1026559858 /nfs/dbraw/zinc/55/98/58/1026559858.db2.gz DWKDDXYYCQXCMO-QYZOEREBSA-N 2 0 316.464 3.611 20 0 DHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280126590 1026600658 /nfs/dbraw/zinc/60/06/58/1026600658.db2.gz CBAYTMIUNPYFSM-LEUOFYLZSA-N 2 0 304.865 3.802 20 0 DHADRP CC[N@H+](Cc1cc(C)oc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739880 1026610850 /nfs/dbraw/zinc/61/08/50/1026610850.db2.gz VWANISZJKZFMDV-UHFFFAOYSA-N 2 0 300.446 3.980 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cncc3ccccc32)cc1 ZINC000809739155 1026610969 /nfs/dbraw/zinc/61/09/69/1026610969.db2.gz ZFQAVVWAJIYVSU-UHFFFAOYSA-N 2 0 319.452 3.928 20 0 DHADRP CCCCCC[C@H](CC)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001170592620 1026654874 /nfs/dbraw/zinc/65/48/74/1026654874.db2.gz LDUYWNGBBLICIM-IBGZPJMESA-N 2 0 311.558 3.695 20 0 DHADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647886112 1026679937 /nfs/dbraw/zinc/67/99/37/1026679937.db2.gz UJZVTUCPPVPYNP-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000280758962 1026704625 /nfs/dbraw/zinc/70/46/25/1026704625.db2.gz FGWUBDXRVPXPIT-KGLIPLIRSA-N 2 0 314.395 3.568 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000513702906 1026706995 /nfs/dbraw/zinc/70/69/95/1026706995.db2.gz OKCUFQMJEKASAK-OKZBNKHCSA-N 2 0 306.881 3.735 20 0 DHADRP Cc1nc([C@H](C)N2CC[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420293932 1026795566 /nfs/dbraw/zinc/79/55/66/1026795566.db2.gz NTFXXCCWOAODJU-QWHCGFSZSA-N 2 0 319.836 3.645 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000420300466 1026798499 /nfs/dbraw/zinc/79/84/99/1026798499.db2.gz HNAFAQXXPDSDIF-DOTOQJQBSA-N 2 0 316.470 3.636 20 0 DHADRP COc1ccc([C@@H]2CCCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420316637 1026801599 /nfs/dbraw/zinc/80/15/99/1026801599.db2.gz MVMNKEUWNZYVHU-LPHOPBHVSA-N 2 0 302.462 3.612 20 0 DHADRP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340524 1026802229 /nfs/dbraw/zinc/80/22/29/1026802229.db2.gz SHDMPXRUEPFQEL-MSOLQXFVSA-N 2 0 308.416 3.880 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000420317355 1026804603 /nfs/dbraw/zinc/80/46/03/1026804603.db2.gz ZLVAOHMXQIQNFM-UXLLHSPISA-N 2 0 322.880 3.686 20 0 DHADRP Clc1ccccc1OC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420359461 1026805922 /nfs/dbraw/zinc/80/59/22/1026805922.db2.gz KQQCVFMKXHHVLO-HNNXBMFYSA-N 2 0 322.880 3.573 20 0 DHADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330161 1026806209 /nfs/dbraw/zinc/80/62/09/1026806209.db2.gz PNJOPBFCKSOFHJ-VHDGCEQUSA-N 2 0 310.844 3.862 20 0 DHADRP CC(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000420366458 1026808786 /nfs/dbraw/zinc/80/87/86/1026808786.db2.gz FWGYMENIJIAPIW-IEBWSBKVSA-N 2 0 315.505 3.807 20 0 DHADRP FC(F)(F)CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367112 1026809076 /nfs/dbraw/zinc/80/90/76/1026809076.db2.gz GSLZRRKMFTZPBA-OAHLLOKOSA-N 2 0 314.395 3.831 20 0 DHADRP C[C@H](c1ccccc1Cl)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420382066 1026811278 /nfs/dbraw/zinc/81/12/78/1026811278.db2.gz DILDKIQFNXDEED-DDUZABMNSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000420399434 1026814128 /nfs/dbraw/zinc/81/41/28/1026814128.db2.gz HUNZLATWRPWMLK-MSOLQXFVSA-N 2 0 314.498 3.930 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)c2cccc(C)c2C)cc1 ZINC000420415731 1026814370 /nfs/dbraw/zinc/81/43/70/1026814370.db2.gz VDGDMHCKQBGSSV-SJLPKXTDSA-N 2 0 312.457 3.705 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000420399435 1026814621 /nfs/dbraw/zinc/81/46/21/1026814621.db2.gz HUNZLATWRPWMLK-QZTJIDSGSA-N 2 0 314.498 3.930 20 0 DHADRP Cc1nccn1CCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420933985 1026882286 /nfs/dbraw/zinc/88/22/86/1026882286.db2.gz WOUNZKMPIRWNPI-IBGZPJMESA-N 2 0 315.436 3.818 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000421377669 1026969920 /nfs/dbraw/zinc/96/99/20/1026969920.db2.gz HRHATPMTIUERFR-OWYHZJEWSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC000421383727 1026974133 /nfs/dbraw/zinc/97/41/33/1026974133.db2.gz LTBDFOWLNCRQKJ-UHFFFAOYSA-N 2 0 324.553 3.950 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C(C)C)c(F)c1 ZINC000421851697 1027066751 /nfs/dbraw/zinc/06/67/51/1027066751.db2.gz GCFOHYRNPVKNSO-HNAYVOBHSA-N 2 0 322.468 3.853 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000421857752 1027067397 /nfs/dbraw/zinc/06/73/97/1027067397.db2.gz PSKWFYBRSTXQJA-KBPBESRZSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnn(C2CCCC2)c1 ZINC000421888045 1027080019 /nfs/dbraw/zinc/08/00/19/1027080019.db2.gz WJLCLMXFOMVHHM-ODIFPOPNSA-N 2 0 304.482 3.522 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000561975430 1027152363 /nfs/dbraw/zinc/15/23/63/1027152363.db2.gz MDDNDGDNKOKRTB-QAPCUYQASA-N 2 0 304.453 3.593 20 0 DHADRP C[C@@H]1C[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000931609845 1027186678 /nfs/dbraw/zinc/18/66/78/1027186678.db2.gz LMIHZPLQHQJAJO-PIIMJCKOSA-N 2 0 308.510 3.530 20 0 DHADRP COc1ccc(F)c(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000572307020 1027192264 /nfs/dbraw/zinc/19/22/64/1027192264.db2.gz ZISBJGWWMBAFSN-HZPDHXFCSA-N 2 0 322.468 3.682 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170677355 1027278068 /nfs/dbraw/zinc/27/80/68/1027278068.db2.gz ODRCNQWWOGILQD-ULQDDVLXSA-N 2 0 322.443 3.802 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(-c3ccncc3)c2)C[C@@H]1C[NH3+] ZINC000422562678 1027286346 /nfs/dbraw/zinc/28/63/46/1027286346.db2.gz QQPKCIRZPYQDHX-QINHECLXSA-N 2 0 309.457 3.554 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422702233 1027296091 /nfs/dbraw/zinc/29/60/91/1027296091.db2.gz DMNYOXLCJJVUCN-ZDUSSCGKSA-N 2 0 315.436 3.616 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000422706918 1027296645 /nfs/dbraw/zinc/29/66/45/1027296645.db2.gz VFCHXTVTZHJMQW-DNVCBOLYSA-N 2 0 300.421 3.827 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422710069 1027297277 /nfs/dbraw/zinc/29/72/77/1027297277.db2.gz KVWFVYGUUIGCOK-FGTMMUONSA-N 2 0 304.453 3.614 20 0 DHADRP CCC1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422716287 1027301936 /nfs/dbraw/zinc/30/19/36/1027301936.db2.gz JXBDQAFRSGBGPF-CCJHYTBNSA-N 2 0 314.473 3.801 20 0 DHADRP CCC1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422716286 1027303613 /nfs/dbraw/zinc/30/36/13/1027303613.db2.gz JXBDQAFRSGBGPF-BPCFOJMASA-N 2 0 314.473 3.801 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422714617 1027303766 /nfs/dbraw/zinc/30/37/66/1027303766.db2.gz REVUAEPBWRAXFS-BEFAXECRSA-N 2 0 314.448 3.651 20 0 DHADRP CCC1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422716288 1027304228 /nfs/dbraw/zinc/30/42/28/1027304228.db2.gz JXBDQAFRSGBGPF-JQGZUDLISA-N 2 0 314.473 3.801 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCCCCC1 ZINC000422737613 1027308334 /nfs/dbraw/zinc/30/83/34/1027308334.db2.gz ZYHXQCIDESPMLR-PKOBYXMFSA-N 2 0 300.446 3.555 20 0 DHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000422773694 1027313256 /nfs/dbraw/zinc/31/32/56/1027313256.db2.gz UPZZBFZRIRJGQU-GBESFXJTSA-N 2 0 316.464 3.758 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCSc1ccccc1 ZINC000422766337 1027313352 /nfs/dbraw/zinc/31/33/52/1027313352.db2.gz WYQWYOQBXKEQCH-CQSZACIVSA-N 2 0 315.486 3.682 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422780221 1027316900 /nfs/dbraw/zinc/31/69/00/1027316900.db2.gz JXUCTLWYACZWGG-KGLIPLIRSA-N 2 0 313.445 3.659 20 0 DHADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422778092 1027318452 /nfs/dbraw/zinc/31/84/52/1027318452.db2.gz ABEPHPXWSOXBMF-RSPOEFSDSA-N 2 0 316.489 3.663 20 0 DHADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422784112 1027319069 /nfs/dbraw/zinc/31/90/69/1027319069.db2.gz IBMPHMLPCYKZNN-NCXUSEDFSA-N 2 0 316.489 3.663 20 0 DHADRP CC(C)(C)CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000573711570 1027320084 /nfs/dbraw/zinc/32/00/84/1027320084.db2.gz MDLJLPOVOMYTFG-VQIMIIECSA-N 2 0 302.462 3.658 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000422777805 1027320096 /nfs/dbraw/zinc/32/00/96/1027320096.db2.gz GSZVVHZKZQVHIY-QKLQHJQFSA-N 2 0 312.457 3.660 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422784435 1027321320 /nfs/dbraw/zinc/32/13/20/1027321320.db2.gz MBHNBAVWUOTMHN-IAGOWNOFSA-N 2 0 315.486 3.602 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000422784758 1027321729 /nfs/dbraw/zinc/32/17/29/1027321729.db2.gz OLIBFIBIOGEDPG-IAGOWNOFSA-N 2 0 312.885 3.771 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422794933 1027322396 /nfs/dbraw/zinc/32/23/96/1027322396.db2.gz UUOITSYNUDOOBL-KGLIPLIRSA-N 2 0 315.486 3.680 20 0 DHADRP CCc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422785574 1027322817 /nfs/dbraw/zinc/32/28/17/1027322817.db2.gz PLPCVYUXAZWKHP-PZJWPPBQSA-N 2 0 322.452 3.595 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422795222 1027323264 /nfs/dbraw/zinc/32/32/64/1027323264.db2.gz ZTUFGBAXAJEGLF-QWHCGFSZSA-N 2 0 314.395 3.843 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000422803964 1027325235 /nfs/dbraw/zinc/32/52/35/1027325235.db2.gz DSDSJUMGVHLSMT-RWMBFGLXSA-N 2 0 302.384 3.914 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422805255 1027326084 /nfs/dbraw/zinc/32/60/84/1027326084.db2.gz IZSJJVJOIVDTBL-GVDBMIGSSA-N 2 0 322.493 3.948 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1CCCCC1 ZINC000422800762 1027326504 /nfs/dbraw/zinc/32/65/04/1027326504.db2.gz AFPVSMKENAUCLZ-ICSRJNTNSA-N 2 0 314.473 3.802 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000422804195 1027327980 /nfs/dbraw/zinc/32/79/80/1027327980.db2.gz DUYMJJXREMVBQY-YRNRMSPPSA-N 2 0 309.457 3.787 20 0 DHADRP C[C@H](CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422803961 1027328389 /nfs/dbraw/zinc/32/83/89/1027328389.db2.gz DSDSJUMGVHLSMT-AGIUHOORSA-N 2 0 302.384 3.914 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422791348 1027329969 /nfs/dbraw/zinc/32/99/69/1027329969.db2.gz UWCDQLPHEWGPPS-WNRNVDISSA-N 2 0 322.880 3.538 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000422833366 1027335304 /nfs/dbraw/zinc/33/53/04/1027335304.db2.gz GOIQYGOEJXCRDK-PWRODBHTSA-N 2 0 308.469 3.730 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422792882 1027336287 /nfs/dbraw/zinc/33/62/87/1027336287.db2.gz ZYRIGZSFAWVNAH-GOSISDBHSA-N 3 0 317.521 3.670 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924958209 1027337098 /nfs/dbraw/zinc/33/70/98/1027337098.db2.gz CWHQIIIFXALOOI-SJORKVTESA-N 2 0 318.505 3.685 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422852427 1027337975 /nfs/dbraw/zinc/33/79/75/1027337975.db2.gz ANOXBOSDGQLFRA-IAGOWNOFSA-N 2 0 312.457 3.619 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C2CC2)cc1 ZINC000422816177 1027339018 /nfs/dbraw/zinc/33/90/18/1027339018.db2.gz ZHOIFUUQLUEAIS-QRWLVFNGSA-N 2 0 309.457 3.959 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2SCCc3ccccc32)c2ccccc21 ZINC000422838283 1027339185 /nfs/dbraw/zinc/33/91/85/1027339185.db2.gz OALKGLJOTKBXJD-CEXWTWQISA-N 2 0 310.466 3.751 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)Oc1ccccc1F ZINC000422816841 1027339417 /nfs/dbraw/zinc/33/94/17/1027339417.db2.gz GBNOTRXSZUXSJJ-JEBQAFNWSA-N 2 0 314.404 3.718 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422885203 1027350794 /nfs/dbraw/zinc/35/07/94/1027350794.db2.gz GJYCRBIXPNCBNV-KBXCAEBGSA-N 2 0 317.864 3.932 20 0 DHADRP c1[nH]c2ccccc2c1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422884164 1027350859 /nfs/dbraw/zinc/35/08/59/1027350859.db2.gz DLWXJLPWZPXVQU-MISYRCLQSA-N 2 0 311.473 3.611 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@H](C)c2cnccc2N)cc1 ZINC000422896472 1027354424 /nfs/dbraw/zinc/35/44/24/1027354424.db2.gz IINNLTXHKCBABD-OAHLLOKOSA-N 2 0 313.445 3.566 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422915086 1027357027 /nfs/dbraw/zinc/35/70/27/1027357027.db2.gz XATLBRCSVOFQLA-RTWAWAEBSA-N 3 0 323.484 3.761 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422915734 1027357920 /nfs/dbraw/zinc/35/79/20/1027357920.db2.gz BRMVZGHESXOZOE-LATSOQNDSA-N 2 0 313.489 3.756 20 0 DHADRP C1C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000422922952 1027362968 /nfs/dbraw/zinc/36/29/68/1027362968.db2.gz UUKRZCBFAOIIEM-GUDVDZBRSA-N 2 0 320.521 3.626 20 0 DHADRP C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422926819 1027363056 /nfs/dbraw/zinc/36/30/56/1027363056.db2.gz XOVMJIBDSOTDIN-GJYPPUQNSA-N 2 0 301.478 3.613 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCCc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422931018 1027366834 /nfs/dbraw/zinc/36/68/34/1027366834.db2.gz WNNCQZFTMFTIEZ-UTKZUKDTSA-N 2 0 308.469 3.948 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000422943914 1027375138 /nfs/dbraw/zinc/37/51/38/1027375138.db2.gz ZBTZKLOOCSEZFU-HNNXBMFYSA-N 2 0 319.452 3.895 20 0 DHADRP CSC1(C[NH2+]Cc2cc(C)c(C)cc2C)CC[NH+](C)CC1 ZINC000574244406 1027376298 /nfs/dbraw/zinc/37/62/98/1027376298.db2.gz SYUOWRWTHDPARY-UHFFFAOYSA-N 2 0 306.519 3.529 20 0 DHADRP c1ccc(C2([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422944535 1027377273 /nfs/dbraw/zinc/37/72/73/1027377273.db2.gz ZWMPYZKLDSQYTC-AZUAARDMSA-N 2 0 320.436 3.521 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1CC(F)(F)C1 ZINC000295661182 1027378924 /nfs/dbraw/zinc/37/89/24/1027378924.db2.gz FBHUZICAASQZBD-GJZGRUSLSA-N 2 0 322.443 3.778 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)Nc1ccccc1 ZINC000422981575 1027387448 /nfs/dbraw/zinc/38/74/48/1027387448.db2.gz SYYBBNXDOMNECA-AABGKKOBSA-N 2 0 309.457 3.858 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423016767 1027389767 /nfs/dbraw/zinc/38/97/67/1027389767.db2.gz UNQMOIZQQQTRFQ-FHLIZLRMSA-N 2 0 320.427 3.507 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423019040 1027391489 /nfs/dbraw/zinc/39/14/89/1027391489.db2.gz SYOGHMASEOHHOY-KBPBESRZSA-N 2 0 319.301 3.696 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012523 1027391823 /nfs/dbraw/zinc/39/18/23/1027391823.db2.gz KUYCNBGBSKMIOO-VXGBXAGGSA-N 2 0 323.893 3.721 20 0 DHADRP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423007873 1027391870 /nfs/dbraw/zinc/39/18/70/1027391870.db2.gz YWLWRDWASSVVMN-BRWVUGGUSA-N 2 0 306.519 3.762 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423022239 1027393403 /nfs/dbraw/zinc/39/34/03/1027393403.db2.gz HEZDOZPRUFEIQY-WBMJQRKESA-N 2 0 310.844 3.618 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423021282 1027393617 /nfs/dbraw/zinc/39/36/17/1027393617.db2.gz DXRFHAJCQWJRPE-IAGOWNOFSA-N 2 0 312.457 3.524 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423032651 1027396302 /nfs/dbraw/zinc/39/63/02/1027396302.db2.gz WKYREXZBDMLSJZ-LBPRGKRZSA-N 2 0 319.276 3.617 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423030879 1027397809 /nfs/dbraw/zinc/39/78/09/1027397809.db2.gz KBOZVNTUXZDYDO-LEDLJOFTSA-N 2 0 304.453 3.830 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])CCC2 ZINC000423027644 1027398157 /nfs/dbraw/zinc/39/81/57/1027398157.db2.gz RSDDOMPFJYQLNH-NDSDBLNTSA-N 2 0 316.489 3.529 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423041024 1027399785 /nfs/dbraw/zinc/39/97/85/1027399785.db2.gz IIVDXLXGVJYLGN-HCXYKTFWSA-N 2 0 321.553 3.540 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000423036594 1027399987 /nfs/dbraw/zinc/39/99/87/1027399987.db2.gz ARKVTNQTXHOYFX-LULLPPNCSA-N 2 0 310.526 3.871 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423054941 1027402742 /nfs/dbraw/zinc/40/27/42/1027402742.db2.gz VRECQOWHINVFKI-WFASDCNBSA-N 2 0 312.860 3.734 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423057051 1027403369 /nfs/dbraw/zinc/40/33/69/1027403369.db2.gz GRRNYCHQAHPORM-TYNCELHUSA-N 2 0 300.368 3.539 20 0 DHADRP COCCC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423065242 1027404135 /nfs/dbraw/zinc/40/41/35/1027404135.db2.gz SYQMDCOMYQAWEX-MSOLQXFVSA-N 2 0 302.462 3.708 20 0 DHADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000423060596 1027404539 /nfs/dbraw/zinc/40/45/39/1027404539.db2.gz IOJILOHQYQZIRI-GBESFXJTSA-N 2 0 322.537 3.874 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423061729 1027405021 /nfs/dbraw/zinc/40/50/21/1027405021.db2.gz RMIXZUUQMXCSHB-YNVMFWSZSA-N 2 0 314.473 3.801 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423068651 1027407009 /nfs/dbraw/zinc/40/70/09/1027407009.db2.gz KJFARHGUPSSXES-DOMZBBRYSA-N 2 0 314.395 3.700 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000423078678 1027410103 /nfs/dbraw/zinc/41/01/03/1027410103.db2.gz OXWZJZCRVZZNPW-LSDHHAIUSA-N 2 0 310.844 3.760 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423095555 1027414412 /nfs/dbraw/zinc/41/44/12/1027414412.db2.gz FKPZFLMZYXTXOC-FPQZTECRSA-N 2 0 301.261 3.955 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096945 1027415527 /nfs/dbraw/zinc/41/55/27/1027415527.db2.gz QCPGJTGYJNLFCZ-FDTVDDQNSA-N 2 0 310.844 3.774 20 0 DHADRP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000423117354 1027417120 /nfs/dbraw/zinc/41/71/20/1027417120.db2.gz VBSWWRLYGWSZCE-DIOULYMOSA-N 2 0 312.379 3.744 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000423129300 1027420895 /nfs/dbraw/zinc/42/08/95/1027420895.db2.gz QZOFZPMDFZQGCW-FHLIZLRMSA-N 2 0 324.896 3.664 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000423125186 1027421045 /nfs/dbraw/zinc/42/10/45/1027421045.db2.gz NFRSLHLQQUHHAS-UHFFFAOYSA-N 2 0 322.321 3.591 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000423122346 1027421973 /nfs/dbraw/zinc/42/19/73/1027421973.db2.gz KJTZZGWXCZXUMM-XCLNPWKQSA-N 2 0 308.425 3.641 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000423122342 1027422294 /nfs/dbraw/zinc/42/22/94/1027422294.db2.gz KJTZZGWXCZXUMM-GEALJGNFSA-N 2 0 308.425 3.641 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423107933 1027423919 /nfs/dbraw/zinc/42/39/19/1027423919.db2.gz LQIFUOSLPZWGMC-QWRGUYRKSA-N 2 0 317.246 3.756 20 0 DHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423145023 1027427562 /nfs/dbraw/zinc/42/75/62/1027427562.db2.gz IQVYRMSWQHWNMX-XOYOTBSWSA-N 2 0 316.514 3.776 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000423113369 1027427786 /nfs/dbraw/zinc/42/77/86/1027427786.db2.gz YPGLVSTVTGWNFT-XZJROXQQSA-N 2 0 312.379 3.539 20 0 DHADRP CC[C@@H](c1ccncc1)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000574797429 1027429433 /nfs/dbraw/zinc/42/94/33/1027429433.db2.gz ZFXFRAYDJHTEOL-IBGZPJMESA-N 2 0 321.428 3.554 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000423151951 1027432615 /nfs/dbraw/zinc/43/26/15/1027432615.db2.gz KXVZHXNODWEWOE-DLBZAZTESA-N 2 0 320.795 3.592 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000362901613 1027434205 /nfs/dbraw/zinc/43/42/05/1027434205.db2.gz MQGCCGMWEZJWIC-GOSISDBHSA-N 2 0 323.484 3.687 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423167578 1027436868 /nfs/dbraw/zinc/43/68/68/1027436868.db2.gz SKVMJNCROUCETO-WCZJQEMASA-N 2 0 306.881 3.954 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423168304 1027438437 /nfs/dbraw/zinc/43/84/37/1027438437.db2.gz UFWYGQAJGVNWIK-OGWOLHLISA-N 2 0 302.462 3.657 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423177393 1027442401 /nfs/dbraw/zinc/44/24/01/1027442401.db2.gz DUEQMRAAHXAPTR-KRWDZBQOSA-N 2 0 316.489 3.694 20 0 DHADRP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423208047 1027445738 /nfs/dbraw/zinc/44/57/38/1027445738.db2.gz YLTDLYHNGWCLQT-INIZCTEOSA-N 2 0 312.461 3.575 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423196142 1027453334 /nfs/dbraw/zinc/45/33/34/1027453334.db2.gz ZBCBZKQQFFSBLE-AAJLLMFJSA-N 2 0 306.881 3.954 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423218483 1027462010 /nfs/dbraw/zinc/46/20/10/1027462010.db2.gz VRGAPBIRWOGUNG-TYNCELHUSA-N 2 0 323.278 3.587 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423223864 1027465497 /nfs/dbraw/zinc/46/54/97/1027465497.db2.gz HNLMVVHDBSWWHZ-CORIIIEPSA-N 2 0 300.368 3.668 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423265642 1027473205 /nfs/dbraw/zinc/47/32/05/1027473205.db2.gz CNWJXMMQMWGNLJ-DLBZAZTESA-N 2 0 312.457 3.772 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423249955 1027476304 /nfs/dbraw/zinc/47/63/04/1027476304.db2.gz PPRPYJAPEFZIJE-YWZLYKJASA-N 2 0 312.457 3.889 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423288886 1027485327 /nfs/dbraw/zinc/48/53/27/1027485327.db2.gz VOKAUFDSNHZYOH-INIZCTEOSA-N 2 0 304.478 3.680 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423291309 1027486352 /nfs/dbraw/zinc/48/63/52/1027486352.db2.gz HUJHVERJNMDHOH-IAGOWNOFSA-N 2 0 324.896 3.537 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423288887 1027486926 /nfs/dbraw/zinc/48/69/26/1027486926.db2.gz VOKAUFDSNHZYOH-MRXNPFEDSA-N 2 0 304.478 3.680 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423277647 1027492250 /nfs/dbraw/zinc/49/22/50/1027492250.db2.gz QEQVFEQTCKFECA-RYUDHWBXSA-N 2 0 302.434 3.550 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000423277734 1027493026 /nfs/dbraw/zinc/49/30/26/1027493026.db2.gz QBKZQMNZHYVHCT-RHSMWYFYSA-N 2 0 312.885 3.769 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423280572 1027493134 /nfs/dbraw/zinc/49/31/34/1027493134.db2.gz UREGCIYKLPRAIJ-ZFWWWQNUSA-N 2 0 315.486 3.633 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423310006 1027496699 /nfs/dbraw/zinc/49/66/99/1027496699.db2.gz RAXXZBPUNPEVHU-DFBGVHRSSA-N 2 0 300.368 3.526 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000423319675 1027501262 /nfs/dbraw/zinc/50/12/62/1027501262.db2.gz DQYDWZPFVHRZMT-UHFFFAOYSA-N 3 0 323.569 3.645 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423334721 1027512836 /nfs/dbraw/zinc/51/28/36/1027512836.db2.gz RCIODUBLWLCNHN-UZLBHIALSA-N 2 0 309.457 3.789 20 0 DHADRP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423335676 1027514447 /nfs/dbraw/zinc/51/44/47/1027514447.db2.gz UCDZJFRKGNLNSI-WDEREUQCSA-N 2 0 317.260 3.620 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423334471 1027515336 /nfs/dbraw/zinc/51/53/36/1027515336.db2.gz WLTQPJMZDWMKLH-DLBZAZTESA-N 2 0 300.471 3.667 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)cs1 ZINC000423341021 1027515369 /nfs/dbraw/zinc/51/53/69/1027515369.db2.gz WHZYJIIOXFBMKT-SNVBAGLBSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000423356642 1027519716 /nfs/dbraw/zinc/51/97/16/1027519716.db2.gz HBCMDDGPNRFTPV-BFHYXJOUSA-N 2 0 303.475 3.520 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423365461 1027523273 /nfs/dbraw/zinc/52/32/73/1027523273.db2.gz BUDOOVHMWXKHDZ-SRUIHLQDSA-N 2 0 316.489 3.693 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000423366282 1027524387 /nfs/dbraw/zinc/52/43/87/1027524387.db2.gz CJRLDJJKPNIIMW-VKZRIFJHSA-N 2 0 320.452 3.591 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423384344 1027528836 /nfs/dbraw/zinc/52/88/36/1027528836.db2.gz KYOSAYFRGWIEDA-CABCVRRESA-N 2 0 310.441 3.580 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000423392531 1027531752 /nfs/dbraw/zinc/53/17/52/1027531752.db2.gz XRUSCUWGIKDGEO-ZLDLUXBVSA-N 2 0 316.367 3.766 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000423403112 1027536591 /nfs/dbraw/zinc/53/65/91/1027536591.db2.gz YEMHKBMVXJAZKD-MBOZVWFJSA-N 2 0 308.469 3.937 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C12CCCCC2 ZINC000423405698 1027538937 /nfs/dbraw/zinc/53/89/37/1027538937.db2.gz YIFNAVSYEUONAT-OALUTQOASA-N 2 0 314.473 3.507 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423409717 1027539658 /nfs/dbraw/zinc/53/96/58/1027539658.db2.gz ZBAIEBHTCYALDY-XPKDYRNWSA-N 2 0 312.910 3.798 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1csc(-c2ccccc2)n1 ZINC000423442123 1027543190 /nfs/dbraw/zinc/54/31/90/1027543190.db2.gz UXJPOQDVMOCRRR-UONOGXRCSA-N 2 0 303.475 3.978 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423441929 1027544073 /nfs/dbraw/zinc/54/40/73/1027544073.db2.gz BKLRWXIHTZIREE-KKUMJFAQSA-N 2 0 300.368 3.668 20 0 DHADRP Fc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423442273 1027545520 /nfs/dbraw/zinc/54/55/20/1027545520.db2.gz PRFZJDYRBRKMNX-HBMCJLEFSA-N 2 0 324.443 3.893 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449348 1027547898 /nfs/dbraw/zinc/54/78/98/1027547898.db2.gz WBLBNMCUYISWHD-BHYGNILZSA-N 2 0 320.864 3.531 20 0 DHADRP CSC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423453853 1027550825 /nfs/dbraw/zinc/55/08/25/1027550825.db2.gz KZFVCFNYKGHDSR-BXUZGUMPSA-N 2 0 320.424 3.827 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)cc1 ZINC000423461508 1027555483 /nfs/dbraw/zinc/55/54/83/1027555483.db2.gz CNHXEPOLEAHUSG-LKUPVBHCSA-N 2 0 324.468 3.892 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000423460915 1027555620 /nfs/dbraw/zinc/55/56/20/1027555620.db2.gz BTCQEKQZVKFPLT-LOWVWBTDSA-N 2 0 316.367 3.595 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423461237 1027556150 /nfs/dbraw/zinc/55/61/50/1027556150.db2.gz SPPVHIAKPVYSSU-ZANVPECISA-N 2 0 317.296 3.679 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000423471874 1027557222 /nfs/dbraw/zinc/55/72/22/1027557222.db2.gz FOMYVSRTUKRJGG-PXNSSMCTSA-N 2 0 323.484 3.577 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423471803 1027557282 /nfs/dbraw/zinc/55/72/82/1027557282.db2.gz ZTMHPKNGAZXCFC-JSGCOSHPSA-N 2 0 300.899 3.928 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000423471328 1027557499 /nfs/dbraw/zinc/55/74/99/1027557499.db2.gz FBOWAKBVDSEXPR-JSGCOSHPSA-N 2 0 316.367 3.768 20 0 DHADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423470312 1027559191 /nfs/dbraw/zinc/55/91/91/1027559191.db2.gz DCUICFPLIKLYAE-ZBFHGGJFSA-N 2 0 310.869 3.922 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423474436 1027561036 /nfs/dbraw/zinc/56/10/36/1027561036.db2.gz HHZVEPOWEJENAS-WMZOPIPTSA-N 2 0 304.478 3.904 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)cs1 ZINC000423478014 1027561139 /nfs/dbraw/zinc/56/11/39/1027561139.db2.gz SYCUVTSLRXFJNE-JBLDHEPKSA-N 2 0 317.296 3.679 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000423477223 1027561153 /nfs/dbraw/zinc/56/11/53/1027561153.db2.gz RTRYWISENPBMNW-FTRWYGJKSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423476197 1027561797 /nfs/dbraw/zinc/56/17/97/1027561797.db2.gz IPINLEAXKPTKRD-GDBMZVCRSA-N 2 0 315.486 3.993 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000423499639 1027563016 /nfs/dbraw/zinc/56/30/16/1027563016.db2.gz HUPWFPRYJOWMQU-DIOULYMOSA-N 2 0 323.278 3.544 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000423497141 1027565092 /nfs/dbraw/zinc/56/50/92/1027565092.db2.gz GCOLDBYXPJEBED-XJKSGUPXSA-N 2 0 303.475 3.891 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423481434 1027565369 /nfs/dbraw/zinc/56/53/69/1027565369.db2.gz WOQDWJMTVAUCEJ-IRXDYDNUSA-N 3 0 323.569 3.773 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCS2 ZINC000423484905 1027570141 /nfs/dbraw/zinc/57/01/41/1027570141.db2.gz RGXWINWASJDFPG-ZFWWWQNUSA-N 2 0 310.894 3.999 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423484958 1027571732 /nfs/dbraw/zinc/57/17/32/1027571732.db2.gz RKTMOIAQTKLDEN-QWRGUYRKSA-N 2 0 317.296 3.693 20 0 DHADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]1c1ccccc1 ZINC000423531353 1027577143 /nfs/dbraw/zinc/57/71/43/1027577143.db2.gz SNNHPWABSSWIIS-HZFDKLMDSA-N 2 0 324.512 3.922 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423513908 1027578437 /nfs/dbraw/zinc/57/84/37/1027578437.db2.gz VSVURWCYKIDVJJ-CRAIPNDOSA-N 2 0 300.450 3.595 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423513911 1027578604 /nfs/dbraw/zinc/57/86/04/1027578604.db2.gz VSVURWCYKIDVJJ-YJBOKZPZSA-N 2 0 300.450 3.595 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cn1 ZINC000423523594 1027579722 /nfs/dbraw/zinc/57/97/22/1027579722.db2.gz WGJZQRKHAQEVSC-GUYCJALGSA-N 2 0 303.837 3.866 20 0 DHADRP COc1cccc(C[C@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc2)c1 ZINC000423521605 1027581238 /nfs/dbraw/zinc/58/12/38/1027581238.db2.gz GHCSPOXPOFYFIG-NRFANRHFSA-N 2 0 324.468 3.711 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000576239569 1027590342 /nfs/dbraw/zinc/59/03/42/1027590342.db2.gz BJTKDSOITOAWEW-QAPCUYQASA-N 2 0 311.473 3.911 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775602 1027600499 /nfs/dbraw/zinc/60/04/99/1027600499.db2.gz VBXSWFXHQJCNRU-GOEBONIOSA-N 2 0 312.379 3.622 20 0 DHADRP Cl/C=C\C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370806 1027623065 /nfs/dbraw/zinc/62/30/65/1027623065.db2.gz LHDZUBZPECZINB-WMZJFQQLSA-N 2 0 304.865 3.727 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)cc1 ZINC000562901666 1027657957 /nfs/dbraw/zinc/65/79/57/1027657957.db2.gz UHWRZGXQCNEJJF-YLJYHZDGSA-N 2 0 316.489 3.537 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000576818042 1027665848 /nfs/dbraw/zinc/66/58/48/1027665848.db2.gz ANESFOVBXLCPAF-UHFFFAOYSA-N 2 0 312.860 3.874 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000576992311 1027688577 /nfs/dbraw/zinc/68/85/77/1027688577.db2.gz ZWKNXMZKZZUTLN-SFHVURJKSA-N 2 0 302.506 3.847 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000527519330 1027745749 /nfs/dbraw/zinc/74/57/49/1027745749.db2.gz VABKEXZOBJVBAQ-XDQVBPFNSA-N 2 0 312.910 3.825 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)Cc1cc(C)ccc1F ZINC000577346014 1027753805 /nfs/dbraw/zinc/75/38/05/1027753805.db2.gz ZHAKJRDJGSXFEZ-UHFFFAOYSA-N 2 0 324.403 3.655 20 0 DHADRP CCC(CC)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCCC1 ZINC000577438882 1027772099 /nfs/dbraw/zinc/77/20/99/1027772099.db2.gz PRBLPJCXAYVBLJ-GPJFCIFZSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000577499008 1027794208 /nfs/dbraw/zinc/79/42/08/1027794208.db2.gz SRJOYDBDEAJZKA-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000562960064 1027828264 /nfs/dbraw/zinc/82/82/64/1027828264.db2.gz KUNFANHWVSVWRU-STQMWFEESA-N 2 0 317.260 3.622 20 0 DHADRP c1ccc(-c2cccc(C[NH2+]C[C@@H]3CCN3C3CCCC3)c2)nc1 ZINC000527807107 1027892314 /nfs/dbraw/zinc/89/23/14/1027892314.db2.gz MNDDFVHNGKCONF-FQEVSTJZSA-N 2 0 321.468 3.855 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000577748454 1027918905 /nfs/dbraw/zinc/91/89/05/1027918905.db2.gz YRZGTXFMKSKJMG-LJQANCHMSA-N 2 0 314.473 3.584 20 0 DHADRP C[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000577751987 1027919455 /nfs/dbraw/zinc/91/94/55/1027919455.db2.gz YIADJDVJEJUTMY-CJNGLKHVSA-N 2 0 314.395 3.697 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC12CC2 ZINC000527856518 1027923302 /nfs/dbraw/zinc/92/33/02/1027923302.db2.gz SPSFFMXWOJGLTC-RHSMWYFYSA-N 2 0 304.503 3.738 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC12CC2 ZINC000527867813 1027924119 /nfs/dbraw/zinc/92/41/19/1027924119.db2.gz YFDFTHYRHRINII-QFMLELGNSA-N 2 0 310.485 3.960 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527850817 1027933067 /nfs/dbraw/zinc/93/30/67/1027933067.db2.gz LHUGGBUPBXOUJE-SJCJKPOMSA-N 2 0 310.844 3.788 20 0 DHADRP Fc1cc2c(cc1Cl)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000527898699 1027948434 /nfs/dbraw/zinc/94/84/34/1027948434.db2.gz SNSAMSXKLCYYTC-GOSISDBHSA-N 2 0 322.855 3.930 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527913484 1027966134 /nfs/dbraw/zinc/96/61/34/1027966134.db2.gz KLEGARVCPHVZOG-SJCJKPOMSA-N 2 0 310.844 3.788 20 0 DHADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000527929709 1027989715 /nfs/dbraw/zinc/98/97/15/1027989715.db2.gz HZTRJECKPZIDNI-MISYRCLQSA-N 2 0 318.505 3.692 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365821475 1028010660 /nfs/dbraw/zinc/01/06/60/1028010660.db2.gz KWDYKZQATRBVOQ-KGLIPLIRSA-N 2 0 310.844 3.628 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)CCC2 ZINC000366492125 1028088050 /nfs/dbraw/zinc/08/80/50/1028088050.db2.gz UKIHJIYIKVJTML-ROUUACIJSA-N 2 0 310.445 3.595 20 0 DHADRP C[C@@H](NC(C)(C)C[NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000367057501 1028130022 /nfs/dbraw/zinc/13/00/22/1028130022.db2.gz KEQXIIACKPPFJS-AEFFLSMTSA-N 2 0 316.489 3.665 20 0 DHADRP CC[NH+]1CCC(CNc2cc[nH+]c3cc(F)c(OC)cc23)CC1 ZINC000578412394 1028145293 /nfs/dbraw/zinc/14/52/93/1028145293.db2.gz PGYAXGWRCVVUBZ-UHFFFAOYSA-N 2 0 317.408 3.526 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000367634873 1028219147 /nfs/dbraw/zinc/21/91/47/1028219147.db2.gz PGQVMHRLQOGPLV-CXAGYDPISA-N 2 0 320.864 3.628 20 0 DHADRP CCC[C@H](C)CC[C@@H](C)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001257477199 1028239084 /nfs/dbraw/zinc/23/90/84/1028239084.db2.gz MUJNXTAWLVZUTQ-RBUKOAKNSA-N 2 0 311.558 3.551 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000449026535 1028266418 /nfs/dbraw/zinc/26/64/18/1028266418.db2.gz GDWHXVNVQGSBBY-LBTNJELSSA-N 2 0 310.432 3.730 20 0 DHADRP COc1cccc2c(C[N@H+](C)[C@H]3CCN(C)[C@H](C)C3)cccc12 ZINC000449032699 1028275187 /nfs/dbraw/zinc/27/51/87/1028275187.db2.gz XWKUKSKEHUTZPJ-WBVHZDCISA-N 2 0 312.457 3.763 20 0 DHADRP CSC1(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCC1 ZINC000578943798 1028282017 /nfs/dbraw/zinc/28/20/17/1028282017.db2.gz NLFIYMVPXYTARA-SFHVURJKSA-N 2 0 318.530 3.726 20 0 DHADRP C[C@@H]([NH2+]C1CC(c2ccccn2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000368031650 1028283226 /nfs/dbraw/zinc/28/32/26/1028283226.db2.gz VLWJWGORELGMLV-MRLCAUJQSA-N 2 0 313.489 3.570 20 0 DHADRP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000578954296 1028285777 /nfs/dbraw/zinc/28/57/77/1028285777.db2.gz CQQKIGDFWAVLJS-HOCLYGCPSA-N 2 0 318.427 3.962 20 0 DHADRP FCCCC[NH+]1CCCC2(CCC[N@@H+](CCCCF)C2)C1 ZINC000368070545 1028290375 /nfs/dbraw/zinc/29/03/75/1028290375.db2.gz JXEOQMSDBVPHCW-UHFFFAOYSA-N 2 0 302.453 3.664 20 0 DHADRP CSC1(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC000368213603 1028319174 /nfs/dbraw/zinc/31/91/74/1028319174.db2.gz BMPGPKYIZPDKRV-UKRRQHHQSA-N 2 0 310.532 3.616 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000449086029 1028324016 /nfs/dbraw/zinc/32/40/16/1028324016.db2.gz BFTKXBKLFZOHRL-OAHLLOKOSA-N 2 0 312.457 3.828 20 0 DHADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000579186068 1028343265 /nfs/dbraw/zinc/34/32/65/1028343265.db2.gz IZKBRXUKYAMSSY-GASCZTMLSA-N 2 0 301.459 3.507 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000449096643 1028349562 /nfs/dbraw/zinc/34/95/62/1028349562.db2.gz JGPDKUIMZNGPIW-KRWDZBQOSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000449098448 1028350275 /nfs/dbraw/zinc/35/02/75/1028350275.db2.gz JKEKYABVIGGMRB-INIZCTEOSA-N 2 0 300.446 3.841 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449087724 1028362831 /nfs/dbraw/zinc/36/28/31/1028362831.db2.gz GSFGARLXJQDWCO-UWWQBHOKSA-N 2 0 306.881 3.908 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000449120115 1028372986 /nfs/dbraw/zinc/37/29/86/1028372986.db2.gz BQZMDJCRBWTSGI-VQTJNVASSA-N 2 0 312.501 3.863 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(OC)c2)c1 ZINC000449131290 1028384514 /nfs/dbraw/zinc/38/45/14/1028384514.db2.gz LLTSQFPLJBIGOH-UHFFFAOYSA-N 2 0 316.420 3.576 20 0 DHADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000449193867 1028431191 /nfs/dbraw/zinc/43/11/91/1028431191.db2.gz TZPWVIFGYFUXAA-BTHPGYMESA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000449184152 1028436663 /nfs/dbraw/zinc/43/66/63/1028436663.db2.gz DDEUIFGUHRTPSS-LPHOPBHVSA-N 2 0 318.530 3.567 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449217211 1028460356 /nfs/dbraw/zinc/46/03/56/1028460356.db2.gz XRCIHZQNULRTAY-RDJZCZTQSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CSC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000449217049 1028460436 /nfs/dbraw/zinc/46/04/36/1028460436.db2.gz WRUBVWGQQQPROH-FPAYPSAMSA-N 2 0 318.530 3.628 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](F)C2)CCN1Cc1ccccc1 ZINC000564960556 1028520039 /nfs/dbraw/zinc/52/00/39/1028520039.db2.gz DJSZUJPJXSVXLE-OQIJWPOYSA-N 2 0 304.453 3.910 20 0 DHADRP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000449302046 1028524641 /nfs/dbraw/zinc/52/46/41/1028524641.db2.gz UASGIULXGJPYFI-FAFZWHIHSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322966 1028534949 /nfs/dbraw/zinc/53/49/49/1028534949.db2.gz QUOICMBZVUYDPG-SJORKVTESA-N 2 0 324.553 3.928 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000449345784 1028559685 /nfs/dbraw/zinc/55/96/85/1028559685.db2.gz JUZICOXPBFRDHU-WMZOPIPTSA-N 2 0 308.510 3.578 20 0 DHADRP CC(F)(F)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000449348193 1028560934 /nfs/dbraw/zinc/56/09/34/1028560934.db2.gz BNJKUYPILCFBAN-FGTMMUONSA-N 2 0 322.443 3.922 20 0 DHADRP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000565227005 1028561137 /nfs/dbraw/zinc/56/11/37/1028561137.db2.gz SWPBRYJDHYTVDG-RVKKMQEKSA-N 2 0 323.912 3.582 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449353956 1028586890 /nfs/dbraw/zinc/58/68/90/1028586890.db2.gz IQLHBMJCFPKRRZ-OKZBNKHCSA-N 2 0 322.443 3.922 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370305448 1028588289 /nfs/dbraw/zinc/58/82/89/1028588289.db2.gz KQNLETOVYYOZRM-CAOKTKFFSA-N 2 0 322.537 3.824 20 0 DHADRP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000815646697 1028592069 /nfs/dbraw/zinc/59/20/69/1028592069.db2.gz PQKGIDSBGTWYPL-OAHLLOKOSA-N 2 0 307.869 3.578 20 0 DHADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000389620527 1028596415 /nfs/dbraw/zinc/59/64/15/1028596415.db2.gz HVTSZVOPTMNHJS-OALUTQOASA-N 2 0 301.478 3.855 20 0 DHADRP C[C@H]1CCC[C@@H](CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000370376567 1028596845 /nfs/dbraw/zinc/59/68/45/1028596845.db2.gz CPKDMJQDPRNASZ-ROUUACIJSA-N 2 0 322.537 3.778 20 0 DHADRP CCCOc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000565508311 1028598058 /nfs/dbraw/zinc/59/80/58/1028598058.db2.gz PWCUZLLVHDMARM-IBGZPJMESA-N 2 0 316.489 3.639 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CCCOCC2)CC1 ZINC001170800157 1028614853 /nfs/dbraw/zinc/61/48/53/1028614853.db2.gz UTUVSMDZPPOINM-FHWLQOOXSA-N 2 0 308.510 3.708 20 0 DHADRP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCOCC2)cc1 ZINC001170801247 1028616854 /nfs/dbraw/zinc/61/68/54/1028616854.db2.gz RYWYUBDCJFYFNH-UFYCRDLUSA-N 2 0 316.489 3.636 20 0 DHADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000449401908 1028620467 /nfs/dbraw/zinc/62/04/67/1028620467.db2.gz JCVZWILPFDOADZ-SEJPIABJSA-N 2 0 321.468 3.675 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@]2(C)c2cccs2)CC1 ZINC000370623852 1028625640 /nfs/dbraw/zinc/62/56/40/1028625640.db2.gz CQURXZDHFRYXKH-KDOFPFPSSA-N 2 0 306.519 3.878 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000370620748 1028627095 /nfs/dbraw/zinc/62/70/95/1028627095.db2.gz WXPKBFTYCBGAIO-GQIGUUNPSA-N 2 0 309.457 3.567 20 0 DHADRP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000370724197 1028643555 /nfs/dbraw/zinc/64/35/55/1028643555.db2.gz XIWXCISOTSFEHT-BVBHFADKSA-N 2 0 303.494 3.879 20 0 DHADRP [NH3+]CCC1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000565898276 1028650549 /nfs/dbraw/zinc/65/05/49/1028650549.db2.gz OVSYPXZTQFPFIJ-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP Cc1ncsc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449468796 1028669497 /nfs/dbraw/zinc/66/94/97/1028669497.db2.gz QNLWTSACQIXCPP-WMLDXEAASA-N 2 0 321.534 3.627 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccncc2)[C@@H](C)C1 ZINC000371207741 1028677458 /nfs/dbraw/zinc/67/74/58/1028677458.db2.gz FNOBYAKPRHFZNW-JXFKEZNVSA-N 2 0 309.457 3.569 20 0 DHADRP COC[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000449480289 1028680405 /nfs/dbraw/zinc/68/04/05/1028680405.db2.gz OAPBZQJFMPZYCA-INIZCTEOSA-N 2 0 324.896 3.532 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2ccccc21 ZINC000371299716 1028686744 /nfs/dbraw/zinc/68/67/44/1028686744.db2.gz JTWLPKKHKQDDFJ-HLAWJBBLSA-N 2 0 324.468 3.523 20 0 DHADRP CO[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000449491882 1028701546 /nfs/dbraw/zinc/70/15/46/1028701546.db2.gz AYYQXDRJNSOUNE-IEBWSBKVSA-N 2 0 318.505 3.501 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccc(C)cc2)cc1 ZINC000566483518 1028733157 /nfs/dbraw/zinc/73/31/57/1028733157.db2.gz VCKDONJVRWWVQU-IRFCIJBXSA-N 2 0 324.468 3.953 20 0 DHADRP CCC(CC)(CN[C@@H]1CCC[C@H]([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000566481148 1028733748 /nfs/dbraw/zinc/73/37/48/1028733748.db2.gz FULFTFLUPSEVDX-NZSAHSFTSA-N 2 0 317.521 3.756 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000449529613 1028741113 /nfs/dbraw/zinc/74/11/13/1028741113.db2.gz YJUCGWKUKZEBQN-UHFFFAOYSA-N 2 0 311.473 3.959 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000566629140 1028756456 /nfs/dbraw/zinc/75/64/56/1028756456.db2.gz ANEFTJDKOMVDKU-DMRZNYOFSA-N 2 0 312.379 3.811 20 0 DHADRP COc1ccc(C[C@@H](C)C[NH2+]C(C)(C)CCC[NH+](C)C)cc1F ZINC000449527793 1028758633 /nfs/dbraw/zinc/75/86/33/1028758633.db2.gz LABWJASVBMGMAL-OAHLLOKOSA-N 2 0 324.484 3.723 20 0 DHADRP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1O ZINC000566705104 1028766160 /nfs/dbraw/zinc/76/61/60/1028766160.db2.gz DZTQVIQDJMVDES-IYBDPMFKSA-N 2 0 318.505 3.857 20 0 DHADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)c1O ZINC000566705102 1028767496 /nfs/dbraw/zinc/76/74/96/1028767496.db2.gz DZTQVIQDJMVDES-HOTGVXAUSA-N 2 0 318.505 3.857 20 0 DHADRP COCCCCC[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372217196 1028827099 /nfs/dbraw/zinc/82/70/99/1028827099.db2.gz KTTYFFSBSDEWBR-FQEVSTJZSA-N 2 0 318.505 3.790 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000567170474 1028850863 /nfs/dbraw/zinc/85/08/63/1028850863.db2.gz WTWFVADUAFFNPB-UHFFFAOYSA-N 2 0 300.899 3.954 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000449628797 1028864405 /nfs/dbraw/zinc/86/44/05/1028864405.db2.gz SIOIKYJJDXUUHG-CVEARBPZSA-N 2 0 322.518 3.821 20 0 DHADRP CN(C/C=C\c1ccc(F)c(F)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000567520232 1028909618 /nfs/dbraw/zinc/90/96/18/1028909618.db2.gz GIDHHOZIOJAWIA-OGZRUICASA-N 2 0 308.416 3.784 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@]3(C)CCCS3)C2)CC1 ZINC000628156695 1028910414 /nfs/dbraw/zinc/91/04/14/1028910414.db2.gz ZHFCZRIFZNSANH-MSOLQXFVSA-N 2 0 310.551 3.716 20 0 DHADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000567557001 1028916017 /nfs/dbraw/zinc/91/60/17/1028916017.db2.gz NRYGZNNGWZTOEN-HNNXBMFYSA-N 2 0 302.462 3.529 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000567549086 1028916379 /nfs/dbraw/zinc/91/63/79/1028916379.db2.gz BNJZMBWPFXLDOU-BJLQDIEVSA-N 2 0 317.521 3.532 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000628190977 1028929931 /nfs/dbraw/zinc/92/99/31/1028929931.db2.gz WJEOUWJSNNAALO-FXAWDEMLSA-N 2 0 309.457 3.617 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000628202979 1028935836 /nfs/dbraw/zinc/93/58/36/1028935836.db2.gz OYELMRTWSVKDEW-QLFBSQMISA-N 2 0 302.453 3.768 20 0 DHADRP Cc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000816598721 1028957304 /nfs/dbraw/zinc/95/73/04/1028957304.db2.gz NVUWSLFSOZEIRD-UHFFFAOYSA-N 2 0 306.881 3.956 20 0 DHADRP c1ccc(OCCCCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000567867791 1028967002 /nfs/dbraw/zinc/96/70/02/1028967002.db2.gz WRNHTBJUYIQHEU-UHFFFAOYSA-N 2 0 316.489 3.700 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568131962 1029011016 /nfs/dbraw/zinc/01/10/16/1029011016.db2.gz ZWMJBWZANFPISJ-HNJRGHQBSA-N 2 0 300.490 3.889 20 0 DHADRP Cc1sc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc1-c1ccccc1 ZINC000568248224 1029031178 /nfs/dbraw/zinc/03/11/78/1029031178.db2.gz KVTFNMHXBWQNCZ-HOTGVXAUSA-N 2 0 315.486 3.521 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000373458604 1029049453 /nfs/dbraw/zinc/04/94/53/1029049453.db2.gz GYUKDFWYRLOWFK-HRAATJIYSA-N 2 0 323.484 3.699 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cnc3ccc(C)cc3c2)C1 ZINC000411303820 1029091917 /nfs/dbraw/zinc/09/19/17/1029091917.db2.gz HLJUUHYWKPQMDU-QGZVFWFLSA-N 2 0 311.473 3.707 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190666313 1029103631 /nfs/dbraw/zinc/10/36/31/1029103631.db2.gz KPTYQWGTRYIMBH-LBPRGKRZSA-N 2 0 316.848 3.785 20 0 DHADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CCOCC1 ZINC000411440765 1029127350 /nfs/dbraw/zinc/12/73/50/1029127350.db2.gz OPKGMRCERVQDHS-UHFFFAOYSA-N 2 0 316.489 3.531 20 0 DHADRP COC1(C)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411480813 1029139201 /nfs/dbraw/zinc/13/92/01/1029139201.db2.gz JATRDZMBBGUNRT-UHFFFAOYSA-N 2 0 316.489 3.673 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000411514923 1029148912 /nfs/dbraw/zinc/14/89/12/1029148912.db2.gz GYCJULXKFYHVRF-PMACEKPBSA-N 2 0 316.489 3.720 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000568973629 1029154085 /nfs/dbraw/zinc/15/40/85/1029154085.db2.gz DBZXBZQPJDSSPG-OALUTQOASA-N 2 0 304.478 3.699 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)c2ccccc21 ZINC000817895609 1029267982 /nfs/dbraw/zinc/26/79/82/1029267982.db2.gz ZJSBZRYVJXCZIR-NJDAHSKKSA-N 2 0 322.452 3.889 20 0 DHADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817902011 1029273271 /nfs/dbraw/zinc/27/32/71/1029273271.db2.gz GPZUECHSSZZUJL-CEXWTWQISA-N 2 0 315.505 3.543 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000817913107 1029276630 /nfs/dbraw/zinc/27/66/30/1029276630.db2.gz DQHMJOTVYQRRIR-WOJBJXKFSA-N 2 0 315.505 3.767 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000817936888 1029279530 /nfs/dbraw/zinc/27/95/30/1029279530.db2.gz ODBJLOGJKFLNLW-NWANDNLSSA-N 2 0 315.288 3.509 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(F)ccc1F ZINC000817947914 1029286030 /nfs/dbraw/zinc/28/60/30/1029286030.db2.gz FIXOIDGJJDQPHX-LJQANCHMSA-N 2 0 318.411 3.953 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947576 1029286147 /nfs/dbraw/zinc/28/61/47/1029286147.db2.gz BEPANOXZVSAHDP-HNNXBMFYSA-N 2 0 308.425 3.655 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817945379 1029287309 /nfs/dbraw/zinc/28/73/09/1029287309.db2.gz ANMQEECTNVHTPF-NWDGAFQWSA-N 2 0 300.418 3.652 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccccc1OC(F)F ZINC000817946811 1029289411 /nfs/dbraw/zinc/28/94/11/1029289411.db2.gz FGXGXXGOXAXFLG-CYBMUJFWSA-N 2 0 320.383 3.640 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000817948405 1029291386 /nfs/dbraw/zinc/29/13/86/1029291386.db2.gz JDPQGTDTEQLJRC-SFHVURJKSA-N 2 0 300.833 3.618 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)cc1 ZINC000817962309 1029300095 /nfs/dbraw/zinc/30/00/95/1029300095.db2.gz HNHSSTZZBHHLRY-CVEARBPZSA-N 2 0 320.440 3.743 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000817961695 1029300807 /nfs/dbraw/zinc/30/08/07/1029300807.db2.gz AGVLEIOAUKZNEX-AUUYWEPGSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817975752 1029313914 /nfs/dbraw/zinc/31/39/14/1029313914.db2.gz AYRBKPURBJLBKG-NXEZZACHSA-N 2 0 304.265 3.744 20 0 DHADRP C[C@@](Cc1ccccc1)([NH2+]CCn1ccnc1)c1ccccc1 ZINC000412094569 1029320329 /nfs/dbraw/zinc/32/03/29/1029320329.db2.gz KQGLNGRCQXPTPY-FQEVSTJZSA-N 2 0 305.425 3.631 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817986596 1029323226 /nfs/dbraw/zinc/32/32/26/1029323226.db2.gz SDVJUXBOJNDPIG-JTQLQIEISA-N 2 0 314.260 3.536 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Oc2cccnc2)cc1 ZINC000570227212 1029334002 /nfs/dbraw/zinc/33/40/02/1029334002.db2.gz ZFZCIAYFCHGLKI-USXIJHARSA-N 2 0 311.429 3.794 20 0 DHADRP Cc1ccc2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2c1 ZINC000629533317 1029362513 /nfs/dbraw/zinc/36/25/13/1029362513.db2.gz UEHHGPWIECCBAP-IBGZPJMESA-N 2 0 309.457 3.507 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC1 ZINC000629546370 1029363505 /nfs/dbraw/zinc/36/35/05/1029363505.db2.gz PFKAUCJJVIEEPF-UHFFFAOYSA-N 2 0 323.843 3.610 20 0 DHADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559977 1029367200 /nfs/dbraw/zinc/36/72/00/1029367200.db2.gz CRNCNTHJQDEZKC-SOUVJXGZSA-N 2 0 300.368 3.597 20 0 DHADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001170900227 1029367702 /nfs/dbraw/zinc/36/77/02/1029367702.db2.gz JQIIMCUNZOYQME-MRXNPFEDSA-N 2 0 323.362 3.808 20 0 DHADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559975 1029368774 /nfs/dbraw/zinc/36/87/74/1029368774.db2.gz CRNCNTHJQDEZKC-RBSFLKMASA-N 2 0 300.368 3.597 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000629561043 1029371259 /nfs/dbraw/zinc/37/12/59/1029371259.db2.gz GMTNMNFFDZOFOV-GJZGRUSLSA-N 2 0 306.416 3.806 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629565884 1029372271 /nfs/dbraw/zinc/37/22/71/1029372271.db2.gz XXMCENNNBKAQFR-RDJZCZTQSA-N 2 0 322.374 3.799 20 0 DHADRP Cc1ccc2cc(C[N@H+](CCC[NH3+])Cc3ccccc3)ccc2n1 ZINC000302067655 1029391761 /nfs/dbraw/zinc/39/17/61/1029391761.db2.gz PHLFCOXSLUZHAN-UHFFFAOYSA-N 2 0 319.452 3.894 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529538465 1029401081 /nfs/dbraw/zinc/40/10/81/1029401081.db2.gz OGOIUVNTELRVGZ-RDJZCZTQSA-N 2 0 322.443 3.922 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629656210 1029409785 /nfs/dbraw/zinc/40/97/85/1029409785.db2.gz NAJXDKPRUJYGHO-JKSUJKDBSA-N 2 0 314.395 3.571 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000570727521 1029411443 /nfs/dbraw/zinc/41/14/43/1029411443.db2.gz XUNXFPUCJASKTN-FHWLQOOXSA-N 2 0 300.490 3.718 20 0 DHADRP C[NH2+][C@H](CO)c1cccc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)c1 ZINC000629702891 1029429305 /nfs/dbraw/zinc/42/93/05/1029429305.db2.gz VYWYXJGBWPWZNF-IIBYNOLFSA-N 2 0 324.468 3.591 20 0 DHADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1Cl ZINC000819048913 1029457492 /nfs/dbraw/zinc/45/74/92/1029457492.db2.gz DHPKISKQLCIRGX-SFHVURJKSA-N 2 0 324.896 3.619 20 0 DHADRP CCC(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450495185 1029504175 /nfs/dbraw/zinc/50/41/75/1029504175.db2.gz SLKGLYQAFBUHDW-QGZVFWFLSA-N 2 0 308.510 3.722 20 0 DHADRP CCc1cc(CCC[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)on1 ZINC000450751796 1029643690 /nfs/dbraw/zinc/64/36/90/1029643690.db2.gz FCEYUWBZBJKWIZ-LPHOPBHVSA-N 2 0 321.509 3.660 20 0 DHADRP CCCCCC[C@H](CCCC)[NH2+]CCCCN1CC[NH2+]CC1 ZINC001246087716 1029754099 /nfs/dbraw/zinc/75/40/99/1029754099.db2.gz HMDCREGCKNAZII-IBGZPJMESA-N 2 0 311.558 3.791 20 0 DHADRP C[C@H]([NH2+]CCc1ccccc1F)c1cccc(C[NH+](C)C)c1 ZINC000820805289 1029768286 /nfs/dbraw/zinc/76/82/86/1029768286.db2.gz HVBSEHSUMTZCMQ-HNNXBMFYSA-N 2 0 300.421 3.781 20 0 DHADRP Cc1nc(C)c(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000820809802 1029770088 /nfs/dbraw/zinc/77/00/88/1029770088.db2.gz ILVVBVNRHSFCHO-ZDUSSCGKSA-N 2 0 317.502 3.715 20 0 DHADRP CCc1cccc2c1OCC[C@@H]2N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404555 1029797743 /nfs/dbraw/zinc/79/77/43/1029797743.db2.gz ABVSMDFVPQJZHG-RDJZCZTQSA-N 2 0 302.462 3.535 20 0 DHADRP CCCCCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000392223134 1029816887 /nfs/dbraw/zinc/81/68/87/1029816887.db2.gz LVQDASYIVAXALD-UHFFFAOYSA-N 2 0 302.462 3.607 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000468045072 1029977838 /nfs/dbraw/zinc/97/78/38/1029977838.db2.gz PNHJMBIHXXNIPA-RDTXWAMCSA-N 2 0 300.446 3.604 20 0 DHADRP Cc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cnc1Cl ZINC000865716604 1029985439 /nfs/dbraw/zinc/98/54/39/1029985439.db2.gz AYQRMLIXFNCOHQ-UHFFFAOYSA-N 2 0 309.885 3.644 20 0 DHADRP Cc1cc2c(CC[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)c[nH]c2cc1F ZINC000865741883 1029997377 /nfs/dbraw/zinc/99/73/77/1029997377.db2.gz LGKZXVGMFDIMQS-HNNXBMFYSA-N 2 0 317.452 3.620 20 0 DHADRP Cc1ccccc1CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000530763804 1030001623 /nfs/dbraw/zinc/00/16/23/1030001623.db2.gz AGGHPSCXSJCDOC-UHFFFAOYSA-N 2 0 302.506 3.980 20 0 DHADRP C[C@H]1C[C@@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000290430409 1030046387 /nfs/dbraw/zinc/04/63/87/1030046387.db2.gz VAZUKZMAADMJQC-LRGNLBRXSA-N 2 0 324.468 3.534 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000530901744 1030062439 /nfs/dbraw/zinc/06/24/39/1030062439.db2.gz UTVHDQPQRUWXCE-GOEBONIOSA-N 2 0 310.869 3.523 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000924583620 1030128556 /nfs/dbraw/zinc/12/85/56/1030128556.db2.gz BPGYNJWEHCDDMM-VQTJNVASSA-N 2 0 318.505 3.679 20 0 DHADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000822770933 1030128597 /nfs/dbraw/zinc/12/85/97/1030128597.db2.gz NAMPBNOFZKLYNB-VNHYZAJKSA-N 2 0 317.304 3.519 20 0 DHADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000822770931 1030130651 /nfs/dbraw/zinc/13/06/51/1030130651.db2.gz NAMPBNOFZKLYNB-IPYPFGDCSA-N 2 0 317.304 3.519 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)cc1 ZINC000924587059 1030131404 /nfs/dbraw/zinc/13/14/04/1030131404.db2.gz ZBKOUUKFCGHSBL-WOJBJXKFSA-N 2 0 318.505 3.679 20 0 DHADRP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000924657365 1030152160 /nfs/dbraw/zinc/15/21/60/1030152160.db2.gz MCDDIZNMVALJGW-WOJBJXKFSA-N 2 0 318.505 3.678 20 0 DHADRP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccnnc1 ZINC000924678591 1030156307 /nfs/dbraw/zinc/15/63/07/1030156307.db2.gz CPULWMFNJIVCJO-IRXDYDNUSA-N 2 0 324.472 3.559 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866212812 1030164641 /nfs/dbraw/zinc/16/46/41/1030164641.db2.gz WLUSPQVSRBZLBD-LESCRADOSA-N 2 0 308.441 3.558 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccns2)c1 ZINC000924709275 1030168814 /nfs/dbraw/zinc/16/88/14/1030168814.db2.gz VQDCLYCOQAEKJS-AWEZNQCLSA-N 2 0 303.475 3.836 20 0 DHADRP C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924760337 1030179771 /nfs/dbraw/zinc/17/97/71/1030179771.db2.gz BDELPKNMHFVQOD-HOTGVXAUSA-N 2 0 312.457 3.652 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)CCC2 ZINC000357846547 1030218652 /nfs/dbraw/zinc/21/86/52/1030218652.db2.gz IGWXZJJTSPDAEP-CQSZACIVSA-N 2 0 307.507 3.541 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCSc2ccccc21)C[NH+]1CCCC1 ZINC000357849807 1030221990 /nfs/dbraw/zinc/22/19/90/1030221990.db2.gz MHZLSDKIDFFDSD-INIZCTEOSA-N 2 0 304.503 3.935 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924960658 1030233732 /nfs/dbraw/zinc/23/37/32/1030233732.db2.gz QOCAEKWIJZATJI-HBFSDRIKSA-N 2 0 315.505 3.503 20 0 DHADRP CC[NH+](CC)Cc1ccccc1-n1c(N)[nH+]c2c1cccc2C ZINC001211986901 1030249378 /nfs/dbraw/zinc/24/93/78/1030249378.db2.gz ZCDIAQZIWTYEBI-UHFFFAOYSA-N 2 0 308.429 3.758 20 0 DHADRP Clc1ccnc2c1CC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925050681 1030256686 /nfs/dbraw/zinc/25/66/86/1030256686.db2.gz UGFHLGKOLFFSME-KRWDZBQOSA-N 2 0 321.896 3.968 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000358011114 1030279768 /nfs/dbraw/zinc/27/97/68/1030279768.db2.gz FFEOEETUXSPFLN-GOSISDBHSA-N 2 0 304.478 3.999 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000866402297 1030280632 /nfs/dbraw/zinc/28/06/32/1030280632.db2.gz JDSHIMCCVZRAEA-RYRKJORJSA-N 2 0 310.551 3.762 20 0 DHADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC2CCOCC2)c1 ZINC000358033045 1030288772 /nfs/dbraw/zinc/28/87/72/1030288772.db2.gz FKRFWDBYEQRFLP-QGZVFWFLSA-N 2 0 318.505 3.822 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171019526 1030299509 /nfs/dbraw/zinc/29/95/09/1030299509.db2.gz XRPDRFYBIPHRKQ-HOCLYGCPSA-N 2 0 306.881 3.519 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866468947 1030308999 /nfs/dbraw/zinc/30/89/99/1030308999.db2.gz JJSXHOKYYYYDED-QGZVFWFLSA-N 2 0 303.494 3.503 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000866468661 1030311157 /nfs/dbraw/zinc/31/11/57/1030311157.db2.gz HPFHIJHNVRKRAS-UHFFFAOYSA-N 2 0 302.453 3.910 20 0 DHADRP Cc1c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cnn1C(C)(C)C ZINC000866516525 1030342515 /nfs/dbraw/zinc/34/25/15/1030342515.db2.gz BFUDVERPGHIDCF-ICXUMSERSA-N 2 0 320.525 3.860 20 0 DHADRP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866534928 1030355375 /nfs/dbraw/zinc/35/53/75/1030355375.db2.gz KQCMFGQRSCVVRD-GOEBONIOSA-N 2 0 316.411 3.595 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)C1 ZINC000925477287 1030371589 /nfs/dbraw/zinc/37/15/89/1030371589.db2.gz JAYSRRFZOWMUCK-QRVBRYPASA-N 2 0 309.457 3.667 20 0 DHADRP Clc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)C2 ZINC001171024090 1030374010 /nfs/dbraw/zinc/37/40/10/1030374010.db2.gz IWHIDRJMAGDDSJ-MRXNPFEDSA-N 2 0 318.892 3.804 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccccc1 ZINC000925518133 1030383332 /nfs/dbraw/zinc/38/33/32/1030383332.db2.gz XNEKAWLGGWZSCH-INIZCTEOSA-N 2 0 320.383 3.858 20 0 DHADRP Clc1cccc2c1CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C2 ZINC001171029160 1030386468 /nfs/dbraw/zinc/38/64/68/1030386468.db2.gz ZCBSBUFUOMHFJB-MRXNPFEDSA-N 2 0 306.881 3.663 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1 ZINC000925530796 1030388256 /nfs/dbraw/zinc/38/82/56/1030388256.db2.gz URUCQLQUEPTBEK-SFHVURJKSA-N 2 0 304.384 3.577 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925536711 1030391773 /nfs/dbraw/zinc/39/17/73/1030391773.db2.gz QPIYARMKYNPYTN-QKPAOTATSA-N 2 0 318.427 3.865 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)CC1 ZINC000925607414 1030419661 /nfs/dbraw/zinc/41/96/61/1030419661.db2.gz PJWYPCYSLCXSEH-BKVYNOPKSA-N 3 0 321.553 3.525 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccc1 ZINC000925619526 1030421917 /nfs/dbraw/zinc/42/19/17/1030421917.db2.gz OMPFLDVHZRKESM-MXEMCNAFSA-N 2 0 306.453 3.642 20 0 DHADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925613271 1030422420 /nfs/dbraw/zinc/42/24/20/1030422420.db2.gz BXCGBYHZUWQISU-HYVNUMGLSA-N 2 0 318.486 3.630 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925626078 1030423789 /nfs/dbraw/zinc/42/37/89/1030423789.db2.gz NPJOENGPJPHANW-OQIJWPOYSA-N 2 0 316.489 3.650 20 0 DHADRP [NH3+][C@@H]1C[C@@H](N[C@H](CC(F)(F)F)c2ccc(F)cc2)C12CCC2 ZINC000925628969 1030426677 /nfs/dbraw/zinc/42/66/77/1030426677.db2.gz IFJUJHAVROIDMH-MGPQQGTHSA-N 2 0 316.342 3.679 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000866717929 1030431602 /nfs/dbraw/zinc/43/16/02/1030431602.db2.gz UJVYURSJGKEEKQ-QZTJIDSGSA-N 2 0 316.489 3.654 20 0 DHADRP Cc1csc([C@H](C)C[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925647741 1030431853 /nfs/dbraw/zinc/43/18/53/1030431853.db2.gz GKFKKDGOIKTDQR-CZUORRHYSA-N 2 0 303.475 3.625 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)C[C@@H]([NH3+])C1 ZINC000925648131 1030435460 /nfs/dbraw/zinc/43/54/60/1030435460.db2.gz PBDVCCAEVRGNJG-OWSLCNJRSA-N 2 0 320.452 3.541 20 0 DHADRP CCO[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925662150 1030446201 /nfs/dbraw/zinc/44/62/01/1030446201.db2.gz YUCOIEGAWCKIEK-WOJBJXKFSA-N 2 0 312.457 3.834 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccccc1 ZINC000925679268 1030449922 /nfs/dbraw/zinc/44/99/22/1030449922.db2.gz IUTHZYQJRJIKLV-WMZOPIPTSA-N 2 0 312.482 3.946 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccco1 ZINC000925704489 1030458870 /nfs/dbraw/zinc/45/88/70/1030458870.db2.gz HHHALWBLQOLBKO-LJQANCHMSA-N 2 0 310.441 3.723 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)C[C@@H]([NH3+])C1 ZINC000925727554 1030467891 /nfs/dbraw/zinc/46/78/91/1030467891.db2.gz HRGHDJNJXDJWSN-CEXWTWQISA-N 2 0 315.505 3.679 20 0 DHADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000558221202 1030474623 /nfs/dbraw/zinc/47/46/23/1030474623.db2.gz FCRPGUPWRMUBDH-WOUAJJJCSA-N 2 0 316.489 3.574 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000925757911 1030485606 /nfs/dbraw/zinc/48/56/06/1030485606.db2.gz WGGMQSHIJWLZCK-ZIAGYGMSSA-N 2 0 317.502 3.992 20 0 DHADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccncc4)C3)CC2)cc1 ZINC000291403930 1030489143 /nfs/dbraw/zinc/48/91/43/1030489143.db2.gz FIMTWTJWNZIKDZ-UHFFFAOYSA-N 2 0 321.468 3.570 20 0 DHADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777762 1030492318 /nfs/dbraw/zinc/49/23/18/1030492318.db2.gz QHADNSVGZYFETD-GDBMZVCRSA-N 2 0 308.416 3.515 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000925781107 1030495607 /nfs/dbraw/zinc/49/56/07/1030495607.db2.gz HIVQBUPGPOXXAW-UKRRQHHQSA-N 2 0 316.823 3.872 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000925786967 1030499022 /nfs/dbraw/zinc/49/90/22/1030499022.db2.gz YHIZHFBHISCNKY-UKRRQHHQSA-N 2 0 314.807 3.626 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)cnn1C(C)C ZINC000925806491 1030505983 /nfs/dbraw/zinc/50/59/83/1030505983.db2.gz DXPBVROHURYJQF-MRXNPFEDSA-N 2 0 320.525 3.983 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000925822984 1030508812 /nfs/dbraw/zinc/50/88/12/1030508812.db2.gz NFKRSVRQFVKQRA-DSOJJBLGSA-N 3 0 313.489 3.518 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925840615 1030516882 /nfs/dbraw/zinc/51/68/82/1030516882.db2.gz MXLXKJAYGVBSJL-SOAMZJECSA-N 2 0 313.489 3.538 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(F)c1F ZINC000925886559 1030534972 /nfs/dbraw/zinc/53/49/72/1030534972.db2.gz HQFJRHVCOHUZRA-ZUEVXXBESA-N 2 0 316.395 3.675 20 0 DHADRP COc1cc(F)cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000824384196 1030543733 /nfs/dbraw/zinc/54/37/33/1030543733.db2.gz ZJIUHSJOZLHWOK-UHFFFAOYSA-N 2 0 316.420 3.528 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)CC[NH2+]1 ZINC001246318205 1030550450 /nfs/dbraw/zinc/55/04/50/1030550450.db2.gz RBTIFGGKAMQZAR-XHDPSFHLSA-N 2 0 323.278 3.557 20 0 DHADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000925973976 1030562573 /nfs/dbraw/zinc/56/25/73/1030562573.db2.gz WFCYNHVQTXWWLH-LSTHTHJFSA-N 2 0 318.505 3.993 20 0 DHADRP [NH3+]CCCCCCCCCCC[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246332141 1030575683 /nfs/dbraw/zinc/57/56/83/1030575683.db2.gz DZNNGAUVILNVQN-GOSISDBHSA-N 3 0 309.542 3.720 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000358722926 1030599094 /nfs/dbraw/zinc/59/90/94/1030599094.db2.gz LAHJBKJVLOEUFE-UHFFFAOYSA-N 2 0 317.452 3.702 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119574 1030626096 /nfs/dbraw/zinc/62/60/96/1030626096.db2.gz MOFZAZVHIFUWLH-LSLVUIDQSA-N 2 0 308.535 3.656 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)N(C)C1CC1 ZINC000246904301 1030661702 /nfs/dbraw/zinc/66/17/02/1030661702.db2.gz FMTIHIUIOHSCMA-RDBSUJKOSA-N 2 0 317.502 3.861 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000246947994 1030663905 /nfs/dbraw/zinc/66/39/05/1030663905.db2.gz HYXZLKVTDGQVGN-ZWOKBUDYSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000247011961 1030668264 /nfs/dbraw/zinc/66/82/64/1030668264.db2.gz LGVVTPJZPQOTLO-ZIAGYGMSSA-N 2 0 309.523 3.923 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247055402 1030671264 /nfs/dbraw/zinc/67/12/64/1030671264.db2.gz PFUPVAQHNSHDBL-AEFFLSMTSA-N 2 0 302.462 3.610 20 0 DHADRP COCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000339084661 1030672522 /nfs/dbraw/zinc/67/25/22/1030672522.db2.gz LNFQYKSSCKYCDZ-APWZRJJASA-N 2 0 316.489 3.576 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccccc2)[C@H](C)C1 ZINC000247078579 1030677210 /nfs/dbraw/zinc/67/72/10/1030677210.db2.gz QRMZWDZZGZSYIR-RLLQIKCJSA-N 2 0 318.505 3.864 20 0 DHADRP COc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)ccc1SC ZINC000075860083 1030693932 /nfs/dbraw/zinc/69/39/32/1030693932.db2.gz MPOGCSPICNIHSZ-MRXNPFEDSA-N 2 0 322.518 3.723 20 0 DHADRP CCN1CCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000248052228 1030716600 /nfs/dbraw/zinc/71/66/00/1030716600.db2.gz WQSGENFARVBWET-WBVHZDCISA-N 2 0 300.446 3.507 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccsc2)[C@@H](C)C1 ZINC000248200422 1030721848 /nfs/dbraw/zinc/72/18/48/1030721848.db2.gz YMQYOAMJACKXHL-UXLLHSPISA-N 2 0 310.507 3.536 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013490 1030727994 /nfs/dbraw/zinc/72/79/94/1030727994.db2.gz IQHHIDVERBFUGZ-CTNGQTDRSA-N 2 0 323.484 3.890 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926487808 1030760796 /nfs/dbraw/zinc/76/07/96/1030760796.db2.gz QELYLMGBMUOIOR-KRWDZBQOSA-N 2 0 318.505 3.831 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000248742879 1030763316 /nfs/dbraw/zinc/76/33/16/1030763316.db2.gz AKWRFQIGZPVRGE-DVWBAYGPSA-N 2 0 321.468 3.928 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCCc2c(Cl)ccnc21)C1CC1 ZINC000926558396 1030797469 /nfs/dbraw/zinc/79/74/69/1030797469.db2.gz HPBGFJNJCXBOER-INIZCTEOSA-N 2 0 307.869 3.576 20 0 DHADRP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncccc1Cl ZINC000926574099 1030806689 /nfs/dbraw/zinc/80/66/89/1030806689.db2.gz RZFMFLFZPLMHFM-HOCLYGCPSA-N 2 0 309.885 3.898 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171091401 1030826661 /nfs/dbraw/zinc/82/66/61/1030826661.db2.gz PGXSHXYLJISQMJ-SFHVURJKSA-N 2 0 306.881 3.519 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359210613 1030844085 /nfs/dbraw/zinc/84/40/85/1030844085.db2.gz LNJXUVSZZHOYMA-LJQANCHMSA-N 2 0 302.462 3.612 20 0 DHADRP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926659145 1030846003 /nfs/dbraw/zinc/84/60/03/1030846003.db2.gz BKOLAEMNMPSWOY-RYGJVYDSSA-N 2 0 316.489 3.747 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+]C3CC4(C3)CCCC4)CC2)ccn1 ZINC000926695302 1030866631 /nfs/dbraw/zinc/86/66/31/1030866631.db2.gz ZQHOJKKIYJMPDY-UHFFFAOYSA-N 2 0 313.489 3.606 20 0 DHADRP CC(C)[N@@H+](CC[C@@H](C)CCCC(C)(C)O)[C@@H]1CCC[NH2+]CC1 ZINC001206584349 1030873653 /nfs/dbraw/zinc/87/36/53/1030873653.db2.gz YNYRDKIWKXJVPA-ZWKOTPCHSA-N 2 0 312.542 3.806 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cccc(C[NH+](C)C)c1 ZINC000926741677 1030899502 /nfs/dbraw/zinc/89/95/02/1030899502.db2.gz HUAIOHAXOIWXIB-KKSFZXQISA-N 2 0 324.468 3.540 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000926782298 1030925420 /nfs/dbraw/zinc/92/54/20/1030925420.db2.gz XTCNOVJUQTXJNP-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccn2C)CC1 ZINC000161656013 1030932955 /nfs/dbraw/zinc/93/29/55/1030932955.db2.gz VDMNSCCJHPTHJW-UHFFFAOYSA-N 2 0 311.473 3.547 20 0 DHADRP COc1ccnc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000926890599 1030969933 /nfs/dbraw/zinc/96/99/33/1030969933.db2.gz WBJCSUPPAFGMIF-LYGPFTKASA-N 2 0 317.477 3.538 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC001246514355 1031018517 /nfs/dbraw/zinc/01/85/17/1031018517.db2.gz GLYMIVYEEKAWFK-ZUZCIYMTSA-N 2 0 301.261 3.512 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(O)ccc1F ZINC000927036883 1031045831 /nfs/dbraw/zinc/04/58/31/1031045831.db2.gz KEWWNAGXNPYPMR-WRSVWVKZSA-N 2 0 306.425 3.589 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000927038207 1031046483 /nfs/dbraw/zinc/04/64/83/1031046483.db2.gz NQTVLHAYGFJISI-KTAKPFMOSA-N 2 0 307.507 3.818 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(F)c1 ZINC000927037875 1031047250 /nfs/dbraw/zinc/04/72/50/1031047250.db2.gz LMVCCRWWBVAXFP-TZGCNFNXSA-N 2 0 320.452 3.892 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccnc1Cl ZINC000927037823 1031047326 /nfs/dbraw/zinc/04/73/26/1031047326.db2.gz LASCZPCKURNYKM-CBCUQQMYSA-N 2 0 307.869 3.793 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc(Cl)c3Cl)C[C@@H]21 ZINC000261770377 1031060213 /nfs/dbraw/zinc/06/02/13/1031060213.db2.gz DQRUBGAALHJVIM-DVVUODLYSA-N 2 0 305.274 3.614 20 0 DHADRP C[N@H+](Cc1ccc(Oc2cccc(F)c2)cc1)C1CC[NH2+]CC1 ZINC000261915704 1031078281 /nfs/dbraw/zinc/07/82/81/1031078281.db2.gz JWLSVXPUXNDZOY-UHFFFAOYSA-N 2 0 314.404 3.802 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1(C)CC1 ZINC000359664139 1031087225 /nfs/dbraw/zinc/08/72/25/1031087225.db2.gz PGXMNRUOEZBTRZ-BBWFWOEESA-N 2 0 316.489 3.574 20 0 DHADRP CCOc1c(Cl)cccc1C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000262012451 1031088341 /nfs/dbraw/zinc/08/83/41/1031088341.db2.gz VFTKEPVTDOYTHO-UHFFFAOYSA-N 2 0 310.869 3.560 20 0 DHADRP Fc1cccc(CC[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC000262017368 1031090464 /nfs/dbraw/zinc/09/04/64/1031090464.db2.gz VUPAUQKNFWDDBK-KRWDZBQOSA-N 2 0 304.453 3.612 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171149569 1031309946 /nfs/dbraw/zinc/30/99/46/1031309946.db2.gz YNERTBBVXNPZHO-MELADBBJSA-N 2 0 313.272 3.710 20 0 DHADRP CC(C)Cc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000536652012 1031357741 /nfs/dbraw/zinc/35/77/41/1031357741.db2.gz JBHZVDDVYCENEA-UHFFFAOYSA-N 2 0 323.550 3.894 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(C)C)cc2)C[C@@H]1C ZINC000536658525 1031360675 /nfs/dbraw/zinc/36/06/75/1031360675.db2.gz BVJRZSYJNYNNKR-FUHWJXTLSA-N 2 0 304.478 3.778 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000844926432 1031403107 /nfs/dbraw/zinc/40/31/07/1031403107.db2.gz UIECQUATATWCGW-QGZVFWFLSA-N 2 0 316.445 3.872 20 0 DHADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000844926952 1031405895 /nfs/dbraw/zinc/40/58/95/1031405895.db2.gz XCPSBYSWFSIQOF-ZQDZILKHSA-N 2 0 319.320 3.861 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872023867 1031408073 /nfs/dbraw/zinc/40/80/73/1031408073.db2.gz WJZAYWAPXNFQCX-ZWKOTPCHSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872027075 1031413030 /nfs/dbraw/zinc/41/30/30/1031413030.db2.gz BUBMVQRNUCJPJE-AZUAARDMSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000872037782 1031421584 /nfs/dbraw/zinc/42/15/84/1031421584.db2.gz IABXOIYAJCXHQK-MOPGFXCFSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCOC1 ZINC000872042026 1031427445 /nfs/dbraw/zinc/42/74/45/1031427445.db2.gz MDUQSWNKFUMBON-RTBURBONSA-N 2 0 310.526 3.539 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C(C)C)cc1 ZINC000536949078 1031481359 /nfs/dbraw/zinc/48/13/59/1031481359.db2.gz LNEADWRKLZFDSU-QFBILLFUSA-N 2 0 304.478 3.714 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929275223 1031484074 /nfs/dbraw/zinc/48/40/74/1031484074.db2.gz HXBWNGPVYHOUEA-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2ccc(F)nc2)CC1 ZINC000929297192 1031487614 /nfs/dbraw/zinc/48/76/14/1031487614.db2.gz OWECHOWBQYDOBJ-OAHLLOKOSA-N 2 0 307.457 3.726 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000872108601 1031500794 /nfs/dbraw/zinc/50/07/94/1031500794.db2.gz AODUSAXQSFUKDN-OMZCVMJRSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000537092426 1031506944 /nfs/dbraw/zinc/50/69/44/1031506944.db2.gz XBRQYIWNXYMQBG-XNFNUYLZSA-N 2 0 300.490 3.599 20 0 DHADRP CC(C)OC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000872116067 1031508816 /nfs/dbraw/zinc/50/88/16/1031508816.db2.gz INWMDQHNFJZWRL-UHFFFAOYSA-N 2 0 308.510 3.721 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000872155180 1031535128 /nfs/dbraw/zinc/53/51/28/1031535128.db2.gz GAMDHPCNGKUHAB-UHFFFAOYSA-N 2 0 323.387 3.571 20 0 DHADRP Cc1csc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872155896 1031536827 /nfs/dbraw/zinc/53/68/27/1031536827.db2.gz AGXCDMWLYOIKDA-HOCLYGCPSA-N 2 0 307.507 3.571 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000537204439 1031536818 /nfs/dbraw/zinc/53/68/18/1031536818.db2.gz PHZKCRXNBQCONY-AZUAARDMSA-N 2 0 316.489 3.638 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858075 1031538646 /nfs/dbraw/zinc/53/86/46/1031538646.db2.gz VYXIOSRMMABTIH-LBPRGKRZSA-N 2 0 301.261 3.658 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1)C1CCCC1 ZINC000872157448 1031541846 /nfs/dbraw/zinc/54/18/46/1031541846.db2.gz OQLCWIVDGIZEQY-WMLDXEAASA-N 2 0 317.477 3.672 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000293717912 1031586113 /nfs/dbraw/zinc/58/61/13/1031586113.db2.gz VIXRKSPRLUJKFU-KRWDZBQOSA-N 2 0 304.478 3.569 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001137058920 1031590984 /nfs/dbraw/zinc/59/09/84/1031590984.db2.gz FGCDHEGSTVQVLF-UHFFFAOYSA-N 2 0 315.436 3.615 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000293777767 1031618426 /nfs/dbraw/zinc/61/84/26/1031618426.db2.gz QABZEKTVBHCFII-LIRRHRJNSA-N 2 0 318.892 3.735 20 0 DHADRP Cc1cccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000537457515 1031621218 /nfs/dbraw/zinc/62/12/18/1031621218.db2.gz HDVDHBZWFDWFIK-APWZRJJASA-N 2 0 324.472 3.703 20 0 DHADRP Fc1cccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1F ZINC000361043763 1031693415 /nfs/dbraw/zinc/69/34/15/1031693415.db2.gz FUVLOHYFZJAAKA-UHFFFAOYSA-N 2 0 319.399 3.854 20 0 DHADRP CCOc1cccc(F)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873148376 1031723913 /nfs/dbraw/zinc/72/39/13/1031723913.db2.gz AJOPHMGXZXXIHR-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000361100185 1031726667 /nfs/dbraw/zinc/72/66/67/1031726667.db2.gz XVHXTQLQJPYXPR-ZNMIVQPWSA-N 2 0 309.523 3.860 20 0 DHADRP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)c1cccc(O)c1 ZINC000873207441 1031759795 /nfs/dbraw/zinc/75/97/95/1031759795.db2.gz CAEGJFSZXUAMFB-CYBMUJFWSA-N 2 0 316.470 3.683 20 0 DHADRP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208226 1031760116 /nfs/dbraw/zinc/76/01/16/1031760116.db2.gz FLILBNODFQUZQD-JQWIXIFHSA-N 2 0 318.408 3.557 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220428 1031763183 /nfs/dbraw/zinc/76/31/83/1031763183.db2.gz OJVKVMGLTTYKQO-STQMWFEESA-N 2 0 314.395 3.614 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000873220427 1031765296 /nfs/dbraw/zinc/76/52/96/1031765296.db2.gz OJVKVMGLTTYKQO-QWHCGFSZSA-N 2 0 314.395 3.614 20 0 DHADRP CC(C)n1cc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232258 1031767604 /nfs/dbraw/zinc/76/76/04/1031767604.db2.gz NVRJJIZYHOWWNE-APWZRJJASA-N 2 0 318.509 3.584 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000873234380 1031767630 /nfs/dbraw/zinc/76/76/30/1031767630.db2.gz BUJPPEGHTULPMP-CABCVRRESA-N 2 0 312.379 3.543 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000873249671 1031771964 /nfs/dbraw/zinc/77/19/64/1031771964.db2.gz MMBPXYNLAJZRAK-YUDUHTQSSA-N 2 0 312.379 3.668 20 0 DHADRP FC(F)(F)CCSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000873249408 1031772005 /nfs/dbraw/zinc/77/20/05/1031772005.db2.gz ACSGHIKZNTYTSO-MGPQQGTHSA-N 2 0 324.456 3.572 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)C1 ZINC000873249045 1031772017 /nfs/dbraw/zinc/77/20/17/1031772017.db2.gz HOTUHXIWXYUHAE-DIOULYMOSA-N 2 0 323.278 3.544 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000873249668 1031772148 /nfs/dbraw/zinc/77/21/48/1031772148.db2.gz MMBPXYNLAJZRAK-OYNZBZHQSA-N 2 0 312.379 3.668 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254472 1031773794 /nfs/dbraw/zinc/77/37/94/1031773794.db2.gz UNBCPUMUCLPVPN-BBWFWOEESA-N 2 0 300.471 3.667 20 0 DHADRP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873252909 1031774828 /nfs/dbraw/zinc/77/48/28/1031774828.db2.gz SHQNPLLOPGSDDK-UYJHQMFVSA-N 2 0 316.411 3.641 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000873256450 1031776664 /nfs/dbraw/zinc/77/66/64/1031776664.db2.gz MPYQUDKPDRSHCT-VCOSZWKGSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)C1CC[NH2+]CC1 ZINC000873267490 1031781912 /nfs/dbraw/zinc/78/19/12/1031781912.db2.gz DUMVPBJWQGUVES-ZJUUUORDSA-N 2 0 316.276 3.614 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)C1CC[NH2+]CC1 ZINC000873267894 1031782351 /nfs/dbraw/zinc/78/23/51/1031782351.db2.gz LTSLWRLERAIJFB-ABAIWWIYSA-N 2 0 310.894 3.855 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873269829 1031782905 /nfs/dbraw/zinc/78/29/05/1031782905.db2.gz LEPWGSIDPMPJGT-STQMWFEESA-N 2 0 312.404 3.635 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272661 1031784010 /nfs/dbraw/zinc/78/40/10/1031784010.db2.gz VZAFVYMSJFTDAN-STQMWFEESA-N 2 0 314.395 3.614 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C3CC[NH2+]CC3)oc21 ZINC000873272291 1031785260 /nfs/dbraw/zinc/78/52/60/1031785260.db2.gz QIRXTBFJUVJEOI-UONOGXRCSA-N 2 0 316.445 3.870 20 0 DHADRP COC[C@H](CC(C)(C)C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000845943104 1031785814 /nfs/dbraw/zinc/78/58/14/1031785814.db2.gz ZTXYPQWTYRBWMA-ADKAHSJRSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000873290230 1031789840 /nfs/dbraw/zinc/78/98/40/1031789840.db2.gz BSMUIIZCHIHCPZ-MOPGFXCFSA-N 2 0 316.489 3.522 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC1(C)C ZINC000897881967 1031867118 /nfs/dbraw/zinc/86/71/18/1031867118.db2.gz HPOPLYROJVTBLR-QEJZJMRPSA-N 2 0 308.416 3.673 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000846219189 1031934649 /nfs/dbraw/zinc/93/46/49/1031934649.db2.gz JUHPPDLYBORWPJ-IRXDYDNUSA-N 2 0 324.534 3.935 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](CCCC2CCCC2)CC1 ZINC000361520240 1031969834 /nfs/dbraw/zinc/96/98/34/1031969834.db2.gz SLILUDSWOOKKQS-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172717113 1033324180 /nfs/dbraw/zinc/32/41/80/1033324180.db2.gz PNDWQSAHYSZYJJ-LJQANCHMSA-N 2 0 320.908 3.909 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3nc(C(C)(C)C)cs3)C2)CC1 ZINC000877528483 1033337136 /nfs/dbraw/zinc/33/71/36/1033337136.db2.gz BGRLJAVTLJYYRX-OAHLLOKOSA-N 2 0 321.534 3.604 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000643522362 1033338371 /nfs/dbraw/zinc/33/83/71/1033338371.db2.gz LZPCABCQVPBPPZ-HIFRSBDPSA-N 2 0 310.869 3.920 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000643522261 1033339496 /nfs/dbraw/zinc/33/94/96/1033339496.db2.gz KOSLKLAYIVTBQV-SOLBZPMBSA-N 2 0 320.452 3.592 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709172 1033343542 /nfs/dbraw/zinc/34/35/42/1033343542.db2.gz UCJPBCLQTHBCIM-SPYBWZPUSA-N 2 0 320.908 3.765 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC001172710624 1033347723 /nfs/dbraw/zinc/34/77/23/1033347723.db2.gz ZFABNDAHFDBUPV-IBGZPJMESA-N 2 0 314.860 3.659 20 0 DHADRP CC(C)(C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000477916583 1033372424 /nfs/dbraw/zinc/37/24/24/1033372424.db2.gz QSBAAKUIYIUIAH-GOSISDBHSA-N 2 0 304.453 3.988 20 0 DHADRP CC(C)(C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)C[NH+]1CCCC1 ZINC000477938209 1033374005 /nfs/dbraw/zinc/37/40/05/1033374005.db2.gz NOBNWIDBLBXOTP-KRWDZBQOSA-N 2 0 306.881 3.519 20 0 DHADRP Cc1ncc2n1CC[N@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001172822318 1033383683 /nfs/dbraw/zinc/38/36/83/1033383683.db2.gz NYBFUFXJKHMCPS-UHFFFAOYSA-N 2 0 309.457 3.809 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CC2 ZINC001172826914 1033389644 /nfs/dbraw/zinc/38/96/44/1033389644.db2.gz XZQFMBBVDMRNFE-NRFANRHFSA-N 2 0 308.469 3.704 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)CC2 ZINC001172825262 1033391020 /nfs/dbraw/zinc/39/10/20/1033391020.db2.gz FATCGTPJOZTBHQ-OAQYLSRUSA-N 2 0 308.469 3.704 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172830474 1033392394 /nfs/dbraw/zinc/39/23/94/1033392394.db2.gz JEEHDAGNPFMBJX-OAQYLSRUSA-N 2 0 314.517 3.954 20 0 DHADRP C[C@@H]([NH3+])C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000643527414 1033392482 /nfs/dbraw/zinc/39/24/82/1033392482.db2.gz MHVWMINDTFRCNR-XIKARTHZSA-N 2 0 300.368 3.668 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)CC2 ZINC001172833541 1033395213 /nfs/dbraw/zinc/39/52/13/1033395213.db2.gz ZJDPHJFLBWTFOS-OAQYLSRUSA-N 2 0 312.501 3.706 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CC2 ZINC001172833295 1033395667 /nfs/dbraw/zinc/39/56/67/1033395667.db2.gz XLZIWPJOYOADBD-APWZRJJASA-N 2 0 302.506 3.843 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001172831790 1033395532 /nfs/dbraw/zinc/39/55/32/1033395532.db2.gz PHPXTRAAQDGMFR-FQEVSTJZSA-N 2 0 321.468 3.506 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)CC2 ZINC001172833060 1033396782 /nfs/dbraw/zinc/39/67/82/1033396782.db2.gz VUCSTPYCMUBGOW-FQEVSTJZSA-N 2 0 312.501 3.706 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC[NH+](C)CC3)CC1)CC2 ZINC001172842718 1033412293 /nfs/dbraw/zinc/41/22/93/1033412293.db2.gz KTUMAWQYBWRFLX-HXUWFJFHSA-N 2 0 312.501 3.660 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000151127896 1033418397 /nfs/dbraw/zinc/41/83/97/1033418397.db2.gz YGLCEASINYUILE-GJZGRUSLSA-N 2 0 322.518 3.800 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000152675911 1033425878 /nfs/dbraw/zinc/42/58/78/1033425878.db2.gz XZYWGBJEYCVZLM-HNAYVOBHSA-N 2 0 306.469 3.713 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCCCC[NH3+] ZINC001172858254 1033427330 /nfs/dbraw/zinc/42/73/30/1033427330.db2.gz FETBILWVDIUDPT-CYBMUJFWSA-N 2 0 300.849 3.909 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172859407 1033429084 /nfs/dbraw/zinc/42/90/84/1033429084.db2.gz JRDFJGYNWZGFQA-DAXOMENPSA-N 2 0 312.860 3.873 20 0 DHADRP COc1ccc2oc(CNC[C@H](C)C[NH+]3CCCCC3)cc2c1 ZINC000478245307 1033436408 /nfs/dbraw/zinc/43/64/08/1033436408.db2.gz ABPNRMXOGOTQQG-HNNXBMFYSA-N 2 0 316.445 3.653 20 0 DHADRP CC(C)C[N@@H+](Cc1csc(C2CC2)n1)CC1CC[NH+](C)CC1 ZINC000877767399 1033439127 /nfs/dbraw/zinc/43/91/27/1033439127.db2.gz HIYIHDQXEMRVCW-UHFFFAOYSA-N 2 0 321.534 3.820 20 0 DHADRP CC(C)C[N@@H+](Cc1ccncc1Cl)CC1CC[NH+](C)CC1 ZINC000877767563 1033440001 /nfs/dbraw/zinc/44/00/01/1033440001.db2.gz NTONIRHWCFERQA-UHFFFAOYSA-N 2 0 309.885 3.535 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CC34CC[NH2+]CC4)c(C)c2c1 ZINC000643535467 1033466947 /nfs/dbraw/zinc/46/69/47/1033466947.db2.gz MRUKSUPDXCZKTN-CXAGYDPISA-N 2 0 314.429 3.543 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1C1CCC2(CCOCC2)CC1 ZINC001173041193 1033507713 /nfs/dbraw/zinc/50/77/13/1033507713.db2.gz UAEFCAQYPIMUNO-UHFFFAOYSA-N 2 0 308.510 3.706 20 0 DHADRP CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000927071812 1033525966 /nfs/dbraw/zinc/52/59/66/1033525966.db2.gz VDRXRNYKEIENQI-DNVCBOLYSA-N 2 0 314.477 3.530 20 0 DHADRP CCCOC1CCC([N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173096507 1033526863 /nfs/dbraw/zinc/52/68/63/1033526863.db2.gz YRPMKWMBCCGVFW-POSCCBCBSA-N 2 0 310.526 3.952 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC001173102096 1033539515 /nfs/dbraw/zinc/53/95/15/1033539515.db2.gz SCOIBGNARSVNCA-VNCLNFNDSA-N 2 0 306.469 3.999 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)c2cccc(Cl)c2)CC1 ZINC001173103358 1033540967 /nfs/dbraw/zinc/54/09/67/1033540967.db2.gz IKVRWGMNRINIRG-DAWZGUTISA-N 2 0 324.896 3.616 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2c(F)ccc(F)c2F)CC1 ZINC001173104228 1033542691 /nfs/dbraw/zinc/54/26/91/1033542691.db2.gz FBXYTAWENZTUGV-UHFFFAOYSA-N 2 0 314.395 3.847 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)Cc2ccccn2)CC1 ZINC001173106729 1033543075 /nfs/dbraw/zinc/54/30/75/1033543075.db2.gz QYNDRIFMVAWTMJ-UHFFFAOYSA-N 2 0 317.521 3.893 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+]C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173106879 1033545561 /nfs/dbraw/zinc/54/55/61/1033545561.db2.gz GOFGFBZIRJEKED-UHFFFAOYSA-N 3 0 323.569 3.741 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC001173108028 1033545641 /nfs/dbraw/zinc/54/56/41/1033545641.db2.gz VTUOYAMZKQRSJS-UHFFFAOYSA-N 3 0 321.553 3.636 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3ccn(C)c3c2)CC1 ZINC001173110904 1033548148 /nfs/dbraw/zinc/54/81/48/1033548148.db2.gz UOWKORMQHKCQJH-UHFFFAOYSA-N 2 0 313.489 3.921 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC3(CCOC3(C)C)CC2)CC1 ZINC001173114198 1033548658 /nfs/dbraw/zinc/54/86/58/1033548658.db2.gz ZTEDIXUGGSYXCQ-UHFFFAOYSA-N 2 0 322.537 3.921 20 0 DHADRP CC[NH+](CC)C1CCC(n2cnc3c2[C@H](C(C)C)[NH2+]CC3)CC1 ZINC001173113563 1033549241 /nfs/dbraw/zinc/54/92/41/1033549241.db2.gz UZCPLNNSEZUHGG-HTWSVDAQSA-N 2 0 318.509 3.551 20 0 DHADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878048461 1033568687 /nfs/dbraw/zinc/56/86/87/1033568687.db2.gz ANESLNNIANSHFM-OALUTQOASA-N 2 0 320.521 3.676 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000153514634 1033581900 /nfs/dbraw/zinc/58/19/00/1033581900.db2.gz ZLRCXPKTCPDPAQ-APWZRJJASA-N 2 0 316.489 3.634 20 0 DHADRP CC1(C)C[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000878119821 1033586201 /nfs/dbraw/zinc/58/62/01/1033586201.db2.gz CBYVIHFZUPNVFQ-DLBZAZTESA-N 2 0 308.510 3.530 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@@H]1C ZINC000878164020 1033604809 /nfs/dbraw/zinc/60/48/09/1033604809.db2.gz ZCFBTKYFTKCCSH-FRYIKTPZSA-N 2 0 316.489 3.711 20 0 DHADRP CCc1ccc(C[C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001173253655 1033624318 /nfs/dbraw/zinc/62/43/18/1033624318.db2.gz WPFYWHXFNWQTTJ-KRWDZBQOSA-N 2 0 300.490 3.740 20 0 DHADRP C(CC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1)C[NH+]1CCCC1 ZINC000878296226 1033652896 /nfs/dbraw/zinc/65/28/96/1033652896.db2.gz NJVHAEZLCZNRDH-IBGZPJMESA-N 2 0 320.521 3.676 20 0 DHADRP CCSC[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001173311916 1033666041 /nfs/dbraw/zinc/66/60/41/1033666041.db2.gz QZYALOFAHAHZLK-PKOBYXMFSA-N 2 0 318.530 3.726 20 0 DHADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CC[C@@H](CC)C2)CC1 ZINC001173285430 1033676770 /nfs/dbraw/zinc/67/67/70/1033676770.db2.gz VWOGMMIAASCTIJ-UXHICEINSA-N 2 0 323.569 3.695 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411374 1033694116 /nfs/dbraw/zinc/69/41/16/1033694116.db2.gz IPVSSHGZDDXBPZ-JZXOWHBKSA-N 2 0 308.510 3.577 20 0 DHADRP COCCC1([NH3+])CC[NH+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344871 1033699629 /nfs/dbraw/zinc/69/96/29/1033699629.db2.gz OMUGJFGIWLUZEW-QGZVFWFLSA-N 2 0 308.510 3.709 20 0 DHADRP COCCC1([NH3+])CC[NH+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344869 1033701116 /nfs/dbraw/zinc/70/11/16/1033701116.db2.gz OMUGJFGIWLUZEW-KRWDZBQOSA-N 2 0 308.510 3.709 20 0 DHADRP COC(=O)CCCC[C@@H](C)[NH2+]CC[PH+](C(C)C)C(C)C ZINC001173443438 1033745089 /nfs/dbraw/zinc/74/50/89/1033745089.db2.gz PRMYRYZZZJCTRT-OAHLLOKOSA-N 2 0 303.427 3.997 20 0 DHADRP CCCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000667502127 1033784117 /nfs/dbraw/zinc/78/41/17/1033784117.db2.gz VKRPTRTWNIXQKG-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP Cc1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccnc1F ZINC000862220798 1033784094 /nfs/dbraw/zinc/78/40/94/1033784094.db2.gz PONFFLCWIKDYDU-UHFFFAOYSA-N 2 0 319.468 3.617 20 0 DHADRP Cc1ccc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000667501863 1033784774 /nfs/dbraw/zinc/78/47/74/1033784774.db2.gz NGDRPJROOQRQGL-UHFFFAOYSA-N 2 0 311.473 3.784 20 0 DHADRP c1c2ccncc2sc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000667501795 1033785616 /nfs/dbraw/zinc/78/56/16/1033785616.db2.gz LITRWFQOCFTOGB-UHFFFAOYSA-N 2 0 315.486 3.604 20 0 DHADRP C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C(F)(F)F ZINC000479586835 1033826963 /nfs/dbraw/zinc/82/69/63/1033826963.db2.gz DLJKFNJNZYCLLI-CQSZACIVSA-N 2 0 316.411 3.933 20 0 DHADRP Cc1ncc(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)n1C ZINC000667530884 1033845084 /nfs/dbraw/zinc/84/50/84/1033845084.db2.gz OMWXMFNULINARQ-CYBMUJFWSA-N 2 0 321.827 3.728 20 0 DHADRP COC[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000173870555 1033887616 /nfs/dbraw/zinc/88/76/16/1033887616.db2.gz MRUODZIJZSXSAH-MRXNPFEDSA-N 2 0 312.457 3.540 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2OC ZINC000479752133 1033888734 /nfs/dbraw/zinc/88/87/34/1033888734.db2.gz UGEMSXAOCXTNRM-QAPCUYQASA-N 2 0 304.478 3.783 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccncc1 ZINC000174020076 1033899535 /nfs/dbraw/zinc/89/95/35/1033899535.db2.gz JQPBQJKCDWWKEW-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCCCC2 ZINC000119052740 1033919477 /nfs/dbraw/zinc/91/94/77/1033919477.db2.gz VXPWAAIJZMNUBT-RBUKOAKNSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247286 1033965943 /nfs/dbraw/zinc/96/59/43/1033965943.db2.gz AFMBUMVBOXJUQD-HNNXBMFYSA-N 2 0 319.493 3.841 20 0 DHADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000898521370 1034083229 /nfs/dbraw/zinc/08/32/29/1034083229.db2.gz BGCKZYWGVOYIFV-HSALFYBXSA-N 2 0 310.441 3.670 20 0 DHADRP c1ccc([C@@H]2C[C@H]3C[N@@H+](Cc4cccc5c4CC[NH2+]C5)C[C@H]32)cc1 ZINC000863558094 1034126624 /nfs/dbraw/zinc/12/66/24/1034126624.db2.gz WAMRJBOKLOWDHP-ILWGZMRPSA-N 2 0 318.464 3.568 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863546589 1034127264 /nfs/dbraw/zinc/12/72/64/1034127264.db2.gz GLXQOPXJIQFIHY-XIKOKIGWSA-N 2 0 315.848 3.840 20 0 DHADRP FC(F)n1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000863547541 1034127470 /nfs/dbraw/zinc/12/74/70/1034127470.db2.gz PSXFOPAJBXVEFX-KCQAQPDRSA-N 2 0 319.399 3.514 20 0 DHADRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)c1cccc2ccccc21 ZINC001168362709 1034154843 /nfs/dbraw/zinc/15/48/43/1034154843.db2.gz DFXQSHYGNKYNHK-UHFFFAOYSA-N 2 0 307.441 3.629 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c(C)c1 ZINC000667666945 1034224322 /nfs/dbraw/zinc/22/43/22/1034224322.db2.gz BVBNTLKNFZYUGZ-AEFFLSMTSA-N 2 0 304.478 3.698 20 0 DHADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667671829 1034239942 /nfs/dbraw/zinc/23/99/42/1034239942.db2.gz AUWCXZKWRLQEFT-OXQOHEQNSA-N 2 0 318.424 3.645 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000880255671 1034266350 /nfs/dbraw/zinc/26/63/50/1034266350.db2.gz UKWGABGSWDTGEE-MSOLQXFVSA-N 2 0 308.510 3.532 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CCCc2ccncc2)CC1 ZINC000880255833 1034268010 /nfs/dbraw/zinc/26/80/10/1034268010.db2.gz ZTLDNKCOHAFNGX-UHFFFAOYSA-N 2 0 315.505 3.745 20 0 DHADRP c1csc(C[NH+](Cc2cccs2)CC2CC[NH2+]CC2)c1 ZINC000178956013 1034276031 /nfs/dbraw/zinc/27/60/31/1034276031.db2.gz VZHQGZAHSCPAEX-UHFFFAOYSA-N 2 0 306.500 3.811 20 0 DHADRP CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000480538422 1034298301 /nfs/dbraw/zinc/29/83/01/1034298301.db2.gz SCEBYTVKALQGMT-UXHICEINSA-N 2 0 323.569 3.597 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000480608325 1034338594 /nfs/dbraw/zinc/33/85/94/1034338594.db2.gz HKIASROTOVRIIR-BEFAXECRSA-N 2 0 304.453 3.915 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000480603506 1034346280 /nfs/dbraw/zinc/34/62/80/1034346280.db2.gz WDZSPNJZVWKSPL-IEBWSBKVSA-N 2 0 322.537 3.921 20 0 DHADRP COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000183199101 1034358968 /nfs/dbraw/zinc/35/89/68/1034358968.db2.gz CTNBNBBTKZEFGK-LZLYRXPVSA-N 2 0 316.489 3.999 20 0 DHADRP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000927159689 1034363126 /nfs/dbraw/zinc/36/31/26/1034363126.db2.gz QCUFMLUZVNWAFX-MAUKXSAKSA-N 2 0 302.462 3.501 20 0 DHADRP Fc1ccc(CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000480659840 1034377586 /nfs/dbraw/zinc/37/75/86/1034377586.db2.gz GMEZTWAVBMHQCF-JKSUJKDBSA-N 2 0 308.416 3.504 20 0 DHADRP CC1CC[NH+](CCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000554858782 1034380086 /nfs/dbraw/zinc/38/00/86/1034380086.db2.gz WWZVGQXXHIKBKI-UHFFFAOYSA-N 2 0 322.443 3.922 20 0 DHADRP Cc1ccc2[nH]c(CN(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2c1C ZINC000554878646 1034386912 /nfs/dbraw/zinc/38/69/12/1034386912.db2.gz YFAOIJWQAFYHJU-JWTNVVGKSA-N 2 0 311.473 3.842 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000554890544 1034393768 /nfs/dbraw/zinc/39/37/68/1034393768.db2.gz PSUIEFNBEHTRBG-OXQOHEQNSA-N 2 0 309.457 3.521 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000480732685 1034420746 /nfs/dbraw/zinc/42/07/46/1034420746.db2.gz ZQYAXFKCJAIEQY-XWTMOSNGSA-N 2 0 318.505 3.678 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000184485759 1034477472 /nfs/dbraw/zinc/47/74/72/1034477472.db2.gz UVZNHFVFKGWLKJ-YESZJQIVSA-N 2 0 301.478 3.694 20 0 DHADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc(C(F)F)c2)CC1 ZINC001174622230 1034513650 /nfs/dbraw/zinc/51/36/50/1034513650.db2.gz WDDUNCXWGBIXBE-UHFFFAOYSA-N 2 0 318.371 3.515 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000555188399 1034548699 /nfs/dbraw/zinc/54/86/99/1034548699.db2.gz LKGSRZQITVPSTO-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000481032216 1034555555 /nfs/dbraw/zinc/55/55/55/1034555555.db2.gz DLXWKUSJZXMUMO-QMTMVMCOSA-N 2 0 304.453 3.771 20 0 DHADRP CCc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc2[nH+]1 ZINC000555206001 1034560000 /nfs/dbraw/zinc/56/00/00/1034560000.db2.gz RJQGNOZUJMOQTI-FQEVSTJZSA-N 2 0 309.457 3.719 20 0 DHADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(C(F)F)cc2)CC1 ZINC001174714866 1034576858 /nfs/dbraw/zinc/57/68/58/1034576858.db2.gz HRNLQKZTCAAHHZ-UHFFFAOYSA-N 2 0 318.371 3.515 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(Cl)cs2)c1 ZINC000193010154 1034826167 /nfs/dbraw/zinc/82/61/67/1034826167.db2.gz ZCINSBDRYQBNOR-UHFFFAOYSA-N 2 0 324.877 3.632 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2sccc2Cl)ccc1F ZINC000193106996 1034832266 /nfs/dbraw/zinc/83/22/66/1034832266.db2.gz NKCZPYMRLXGLQX-UHFFFAOYSA-N 2 0 312.841 3.892 20 0 DHADRP COCC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC001175203799 1034849836 /nfs/dbraw/zinc/84/98/36/1034849836.db2.gz VGEKRVYOCWBNCQ-RUYXUALKSA-N 2 0 324.553 3.739 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC001175211564 1034867271 /nfs/dbraw/zinc/86/72/71/1034867271.db2.gz SWAVEFPBHDVMDL-UHFFFAOYSA-N 2 0 310.844 3.787 20 0 DHADRP Cc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc(F)c1F ZINC001143610214 1034870175 /nfs/dbraw/zinc/87/01/75/1034870175.db2.gz STWPLHJPFXCRBJ-UHFFFAOYSA-N 2 0 308.416 3.581 20 0 DHADRP CCC(CC)(CC)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000667902805 1034879798 /nfs/dbraw/zinc/87/97/98/1034879798.db2.gz VRZZBTNQMIUUQP-ZWKOTPCHSA-N 2 0 310.526 3.560 20 0 DHADRP Cc1cccc2c1[nH+]c(N)n2C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175504879 1035013012 /nfs/dbraw/zinc/01/30/12/1035013012.db2.gz FLGVXXJQMLDHRU-UHFFFAOYSA-N 2 0 318.424 3.674 20 0 DHADRP Cc1cc(F)ccc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001175601359 1035038804 /nfs/dbraw/zinc/03/88/04/1035038804.db2.gz KREKHOQLGXNMFA-UHFFFAOYSA-N 2 0 306.469 3.934 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000482014526 1035044039 /nfs/dbraw/zinc/04/40/39/1035044039.db2.gz GRUILQNJTONWJE-XLIONFOSSA-N 2 0 300.490 3.529 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062195 1035051684 /nfs/dbraw/zinc/05/16/84/1035051684.db2.gz QWYIBGDTWQXZRX-RLADLGENSA-N 2 0 324.871 3.986 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)[C@H](C)C1 ZINC000482078690 1035057081 /nfs/dbraw/zinc/05/70/81/1035057081.db2.gz GSZRXGMJOSYKTO-OLMMMNRUSA-N 2 0 304.453 3.782 20 0 DHADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000482170547 1035063707 /nfs/dbraw/zinc/06/37/07/1035063707.db2.gz NDIWAMBHVJCHFV-VNTMZGSJSA-N 2 0 322.537 3.943 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1coc(-c2ccccc2)n1 ZINC000567889898 1035063902 /nfs/dbraw/zinc/06/39/02/1035063902.db2.gz IUGJAOYBEMZMNU-RDJZCZTQSA-N 2 0 313.445 3.742 20 0 DHADRP [NH3+]CCCCCCCCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168366448 1035063945 /nfs/dbraw/zinc/06/39/45/1035063945.db2.gz SCYYKQODIDNPTL-UHFFFAOYSA-N 2 0 323.569 3.920 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)C(F)(F)F ZINC000482313567 1035082922 /nfs/dbraw/zinc/08/29/22/1035082922.db2.gz VFDGKKZAYGBZQG-IIAWOOMASA-N 2 0 314.395 3.685 20 0 DHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000629532319 1035100580 /nfs/dbraw/zinc/10/05/80/1035100580.db2.gz VECJBCPLVUTFAK-QGZVFWFLSA-N 2 0 315.505 3.589 20 0 DHADRP CC[NH+]1CCN(c2ccc(Nc3cc[nH+]c(C4CC4)c3)cc2)CC1 ZINC001175781060 1035119583 /nfs/dbraw/zinc/11/95/83/1035119583.db2.gz DVWVMLDKUGTJPZ-UHFFFAOYSA-N 2 0 322.456 3.845 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OCC)cc2)CC1 ZINC000482504360 1035123535 /nfs/dbraw/zinc/12/35/35/1035123535.db2.gz DQYRKPLFWBOJIJ-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000482548193 1035131477 /nfs/dbraw/zinc/13/14/77/1035131477.db2.gz DGCVAKKVAZZZJS-HNNXBMFYSA-N 2 0 318.486 3.582 20 0 DHADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1C ZINC000194413337 1035140393 /nfs/dbraw/zinc/14/03/93/1035140393.db2.gz SRTSTOCAVLWMTO-AEFFLSMTSA-N 2 0 316.489 3.746 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000482944695 1035204315 /nfs/dbraw/zinc/20/43/15/1035204315.db2.gz HZPPMCVVZCYIJQ-MLGOLLRUSA-N 2 0 312.860 3.687 20 0 DHADRP C[C@H]1C[NH2+]CCN(Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001206269174 1035234830 /nfs/dbraw/zinc/23/48/30/1035234830.db2.gz FDZZANWFDAGCRI-ZDUSSCGKSA-N 2 0 304.821 3.641 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000483178501 1035236490 /nfs/dbraw/zinc/23/64/90/1035236490.db2.gz AIYOEMSUWAHRHJ-CXAGYDPISA-N 2 0 310.457 3.851 20 0 DHADRP CCCOc1ccc(C(C)(C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000483277957 1035250319 /nfs/dbraw/zinc/25/03/19/1035250319.db2.gz ASRPREFOGIPWFM-QGZVFWFLSA-N 2 0 304.478 3.784 20 0 DHADRP COC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000483299431 1035254904 /nfs/dbraw/zinc/25/49/04/1035254904.db2.gz UYCNRIFYFPMGPL-ZWKOTPCHSA-N 2 0 308.510 3.532 20 0 DHADRP COC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000483299652 1035254956 /nfs/dbraw/zinc/25/49/56/1035254956.db2.gz SQGVPEPVWZXQKE-SFHVURJKSA-N 2 0 308.510 3.534 20 0 DHADRP CN1CCC[C@@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924791811 1035324213 /nfs/dbraw/zinc/32/42/13/1035324213.db2.gz RAIIMXBVJHHVSU-LLVKDONJSA-N 2 0 320.321 3.724 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCNc1ccccn1 ZINC000484297538 1035328039 /nfs/dbraw/zinc/32/80/39/1035328039.db2.gz INSYBJQCKAJHIE-ZDUSSCGKSA-N 2 0 319.836 3.896 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC001206297361 1035358168 /nfs/dbraw/zinc/35/81/68/1035358168.db2.gz XXHBZAMEYXCEHF-OAHLLOKOSA-N 2 0 301.261 3.944 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC001177299667 1035361463 /nfs/dbraw/zinc/36/14/63/1035361463.db2.gz YMUHLJPHDSYNGO-VWTAQGJOSA-N 2 0 304.453 3.941 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C[NH+]1CCCCC1 ZINC001177416589 1035369851 /nfs/dbraw/zinc/36/98/51/1035369851.db2.gz TUZCKWHBWPCIPU-MISYRCLQSA-N 2 0 322.537 3.683 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001206304227 1035373148 /nfs/dbraw/zinc/37/31/48/1035373148.db2.gz HUPVLQAHGUNHIT-OAHLLOKOSA-N 2 0 318.358 3.795 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001177529681 1035377044 /nfs/dbraw/zinc/37/70/44/1035377044.db2.gz SYQZOBZWBMPQJL-QGZVFWFLSA-N 2 0 304.478 3.685 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(COC)c2)c1 ZINC001177737593 1035390642 /nfs/dbraw/zinc/39/06/42/1035390642.db2.gz SVMGATUBFZKQOI-UHFFFAOYSA-N 2 0 312.457 3.575 20 0 DHADRP Cc1cccc(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c1 ZINC000067976687 1035391166 /nfs/dbraw/zinc/39/11/66/1035391166.db2.gz RKGFXZBOGXFTGM-GOSISDBHSA-N 2 0 324.468 3.506 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCCC(C)(C)C)cc1 ZINC001177779237 1035392127 /nfs/dbraw/zinc/39/21/27/1035392127.db2.gz FJWADZLGPCNZAT-UHFFFAOYSA-N 2 0 306.494 3.933 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)C(C)(C)C ZINC001177822204 1035392335 /nfs/dbraw/zinc/39/23/35/1035392335.db2.gz IFPQUZKMBXGALE-RTBURBONSA-N 2 0 302.506 3.890 20 0 DHADRP Fc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1C(F)F ZINC000904299540 1035397071 /nfs/dbraw/zinc/39/70/71/1035397071.db2.gz HDSYWHBETVFABL-MRXNPFEDSA-N 2 0 312.379 3.727 20 0 DHADRP CCC1(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC001177961625 1035399653 /nfs/dbraw/zinc/39/96/53/1035399653.db2.gz LCOWNVUXHDIPFE-SFHVURJKSA-N 2 0 318.505 3.693 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000904340562 1035401515 /nfs/dbraw/zinc/40/15/15/1035401515.db2.gz JCDJAWZBJLKCCT-UHOFOFEASA-N 2 0 312.379 3.970 20 0 DHADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@H](O)c1ccc2ccccc2c1 ZINC000904360650 1035403538 /nfs/dbraw/zinc/40/35/38/1035403538.db2.gz NJGGNVUFJLCZPE-MOPGFXCFSA-N 2 0 314.473 3.616 20 0 DHADRP [NH3+]CC1CC([NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000904362409 1035404358 /nfs/dbraw/zinc/40/43/58/1035404358.db2.gz MSJDBGVEDOMPTN-GUUHALQZSA-N 2 0 318.823 3.895 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccs1 ZINC001177981829 1035405454 /nfs/dbraw/zinc/40/54/54/1035405454.db2.gz SATQOAKFCFXZSJ-MNZLEMJZSA-N 2 0 314.498 3.994 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000195134487 1035415068 /nfs/dbraw/zinc/41/50/68/1035415068.db2.gz VCJHQKZPAVJACA-DOTOQJQBSA-N 2 0 300.471 3.921 20 0 DHADRP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195134349 1035415120 /nfs/dbraw/zinc/41/51/20/1035415120.db2.gz HELYVRDYDUPAJR-PKOBYXMFSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000195134286 1035415274 /nfs/dbraw/zinc/41/52/74/1035415274.db2.gz RVUPXNCLVIXSRY-WMZOPIPTSA-N 2 0 312.432 3.998 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139722 1035416213 /nfs/dbraw/zinc/41/62/13/1035416213.db2.gz ITUNUICBRXEJTE-NVXWUHKLSA-N 2 0 300.471 3.921 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178823661 1035449972 /nfs/dbraw/zinc/44/99/72/1035449972.db2.gz JTPFDCMABHVJND-RTBURBONSA-N 2 0 318.505 3.933 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001178998181 1035460577 /nfs/dbraw/zinc/46/05/77/1035460577.db2.gz FKZPQSWLUITIQS-RBUKOAKNSA-N 2 0 300.490 3.923 20 0 DHADRP Cc1nc2ccc(-c3cccc(C[NH+]4CCC([NH3+])CC4)c3)cc2o1 ZINC000904850333 1035462033 /nfs/dbraw/zinc/46/20/33/1035462033.db2.gz VXUWQPDWJKEQBM-UHFFFAOYSA-N 2 0 321.424 3.726 20 0 DHADRP CC(C)(C)N1CC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000668431852 1035473528 /nfs/dbraw/zinc/47/35/28/1035473528.db2.gz FULNLIZWWOZDEI-IMRCBTMISA-N 2 0 308.416 3.673 20 0 DHADRP Cc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000485312967 1035538149 /nfs/dbraw/zinc/53/81/49/1035538149.db2.gz DADUCQGOVSWSTJ-IEBWSBKVSA-N 2 0 318.530 3.812 20 0 DHADRP C[N@@H+](Cc1ccccc1CC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC001179993066 1035557740 /nfs/dbraw/zinc/55/77/40/1035557740.db2.gz FVXBNWDHQLBVQH-CQSZACIVSA-N 2 0 314.395 3.565 20 0 DHADRP C[C@H](c1nccc2ccccc21)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001179969342 1035562682 /nfs/dbraw/zinc/56/26/82/1035562682.db2.gz BLTFFSUQMVNJHY-MRXNPFEDSA-N 2 0 311.473 3.960 20 0 DHADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000494517269 1035604536 /nfs/dbraw/zinc/60/45/36/1035604536.db2.gz ZAFQZUZFOUXDIV-QXCFHYIPSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(OC(C)(C)C)cc2)CC[C@@H]1C[NH3+] ZINC001205636911 1035648419 /nfs/dbraw/zinc/64/84/19/1035648419.db2.gz FZQOWXDULZJKCB-DOTOQJQBSA-N 2 0 304.478 3.671 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347419444 1035657965 /nfs/dbraw/zinc/65/79/65/1035657965.db2.gz NHCBVCUIMDNIRA-BMSWRWNDSA-N 2 0 316.514 3.666 20 0 DHADRP CC[NH+]1CCC(C[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001180375240 1035661279 /nfs/dbraw/zinc/66/12/79/1035661279.db2.gz MLTSJYVNEYUAQN-UHFFFAOYSA-N 2 0 300.490 3.673 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cnn1C(C)C ZINC000191178964 1035665863 /nfs/dbraw/zinc/66/58/63/1035665863.db2.gz HYVCKXMMPORGEA-QGZVFWFLSA-N 2 0 320.525 3.935 20 0 DHADRP C[C@H]1CC[N@H+](Cc2csc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205637847 1035674802 /nfs/dbraw/zinc/67/48/02/1035674802.db2.gz JLPAKPHSALYNEA-JQWIXIFHSA-N 2 0 306.397 3.574 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC2(C)C)[C@H](C)C1 ZINC001193648374 1035693113 /nfs/dbraw/zinc/69/31/13/1035693113.db2.gz FQTQSOGYCSGFOI-QRVBRYPASA-N 2 0 324.553 3.929 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccccc2OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205651395 1035830480 /nfs/dbraw/zinc/83/04/80/1035830480.db2.gz DOCDXYSXOCRHGS-HZPDHXFCSA-N 2 0 304.478 3.671 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205662877 1035910716 /nfs/dbraw/zinc/91/07/16/1035910716.db2.gz FCHLFWKCUVMEKX-MNOVXSKESA-N 2 0 319.251 3.939 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168468692 1035911426 /nfs/dbraw/zinc/91/14/26/1035911426.db2.gz PPTIICVIOMWPGO-JVPBZIDWSA-N 2 0 304.453 3.739 20 0 DHADRP CCc1cnc(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)o1 ZINC000540049655 1035955183 /nfs/dbraw/zinc/95/51/83/1035955183.db2.gz NYLGZUQCJYOXNC-UHFFFAOYSA-N 2 0 319.493 3.571 20 0 DHADRP FC(F)(F)[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168370576 1035975934 /nfs/dbraw/zinc/97/59/34/1035975934.db2.gz BCQBZNWZLPIMGB-HDJSIYSDSA-N 2 0 304.400 3.572 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3F)CCC2)CC1(C)C ZINC000623558601 1035980144 /nfs/dbraw/zinc/98/01/44/1035980144.db2.gz CMQYWGNBAZLFCG-HNNXBMFYSA-N 2 0 304.453 3.710 20 0 DHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCCC2)CC1 ZINC000540410540 1036057803 /nfs/dbraw/zinc/05/78/03/1036057803.db2.gz PHZFDRXBUNMRFU-OAHLLOKOSA-N 2 0 319.468 3.561 20 0 DHADRP Cc1nc2ccc(C[NH2+]CC[C@@H](C)[NH+]3CCCCC3)cc2s1 ZINC000494844685 1036086100 /nfs/dbraw/zinc/08/61/00/1036086100.db2.gz IYKCVXPVLFESSO-CQSZACIVSA-N 2 0 317.502 3.959 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000540606440 1036115369 /nfs/dbraw/zinc/11/53/69/1036115369.db2.gz JHEGSFCRJVFXSG-IBGZPJMESA-N 2 0 302.437 3.909 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168435986 1036125288 /nfs/dbraw/zinc/12/52/88/1036125288.db2.gz BGSXEBFISGJGOJ-FQEVSTJZSA-N 2 0 318.480 3.735 20 0 DHADRP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)C1CCCC1 ZINC000540789407 1036156688 /nfs/dbraw/zinc/15/66/88/1036156688.db2.gz PXUVPHLMBXHESA-HNNXBMFYSA-N 2 0 316.493 3.603 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc[nH]1 ZINC000774266285 1036268412 /nfs/dbraw/zinc/26/84/12/1036268412.db2.gz JYIKIHQLWVCJDA-KANFNMMFSA-N 2 0 309.457 3.861 20 0 DHADRP C[NH+](C)CC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CCCC1 ZINC000486687321 1036364484 /nfs/dbraw/zinc/36/44/84/1036364484.db2.gz JVWUJDXZRLMQES-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC001195985150 1036400108 /nfs/dbraw/zinc/40/01/08/1036400108.db2.gz CZJYIOJSJRIGRR-PMACEKPBSA-N 2 0 300.490 3.958 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC[C@H](C)[NH+](C)C)CC2)cc1 ZINC001183104630 1036522199 /nfs/dbraw/zinc/52/21/99/1036522199.db2.gz VZZKMQDACCZUKA-HJOIGYKYSA-N 2 0 304.478 3.651 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000542177097 1036527446 /nfs/dbraw/zinc/52/74/46/1036527446.db2.gz PWGHCPAZNRQEJC-QRQLOZEOSA-N 2 0 318.530 3.772 20 0 DHADRP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC001183197384 1036539338 /nfs/dbraw/zinc/53/93/38/1036539338.db2.gz SWGHZUHCJQHJHR-KRWDZBQOSA-N 2 0 300.490 3.598 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CC3 ZINC000491357328 1036557077 /nfs/dbraw/zinc/55/70/77/1036557077.db2.gz YEQUPUIQWRLCGL-INIZCTEOSA-N 2 0 313.489 3.654 20 0 DHADRP CCCC[N@H+](C[C@@H]1CCCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545458 1036563666 /nfs/dbraw/zinc/56/36/66/1036563666.db2.gz PMNKJOVLQFZWGF-INIZCTEOSA-N 2 0 310.526 3.824 20 0 DHADRP CCCCCOc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205265313 1036581907 /nfs/dbraw/zinc/58/19/07/1036581907.db2.gz PTLXLARCBZNFJT-IBGZPJMESA-N 2 0 304.478 3.959 20 0 DHADRP Cc1ccc(CC[NH2+]C[C@@H]2CCN2C2CCCCCC2)cc1 ZINC001183380047 1036588277 /nfs/dbraw/zinc/58/82/77/1036588277.db2.gz XNXCRGTWQQCWOK-FQEVSTJZSA-N 2 0 300.490 3.924 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)C[NH+](C)C ZINC000491596938 1036610559 /nfs/dbraw/zinc/61/05/59/1036610559.db2.gz PHCONPIIGDZVGA-ZDUSSCGKSA-N 2 0 306.450 3.842 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000491589220 1036614661 /nfs/dbraw/zinc/61/46/61/1036614661.db2.gz OYQMGLVCNZSCLE-MRXNPFEDSA-N 2 0 312.457 3.650 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000495407949 1036615555 /nfs/dbraw/zinc/61/55/55/1036615555.db2.gz KJBCQMRYEDPIRT-IEBWSBKVSA-N 2 0 300.490 3.719 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CC2(OC)CCCC2)CC1 ZINC001183535741 1036622519 /nfs/dbraw/zinc/62/25/19/1036622519.db2.gz XHENBKHZGYNTFM-UHFFFAOYSA-N 2 0 308.510 3.676 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001183532897 1036623587 /nfs/dbraw/zinc/62/35/87/1036623587.db2.gz HVGGQHKJIVHYGI-NEWSRXKRSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495426140 1036629556 /nfs/dbraw/zinc/62/95/56/1036629556.db2.gz JUAMAWOCHFHKKI-FMKPAKJESA-N 2 0 314.395 3.828 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495426141 1036630673 /nfs/dbraw/zinc/63/06/73/1036630673.db2.gz JUAMAWOCHFHKKI-IIAWOOMASA-N 2 0 314.395 3.828 20 0 DHADRP C[C@H]([NH2+]C/C=C/c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000495432998 1036636335 /nfs/dbraw/zinc/63/63/35/1036636335.db2.gz MJUHEWISNHZFOA-MZEUMTGBSA-N 2 0 324.468 3.991 20 0 DHADRP C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205297021 1036838824 /nfs/dbraw/zinc/83/88/24/1036838824.db2.gz WYWPJKCBPQQZKB-HIFRSBDPSA-N 2 0 314.395 3.555 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C(C)(C)C ZINC000488418236 1037001325 /nfs/dbraw/zinc/00/13/25/1037001325.db2.gz SNWTWOVAKDULEG-ILXRZTDVSA-N 2 0 300.556 3.863 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000236742921 1036974395 /nfs/dbraw/zinc/97/43/95/1036974395.db2.gz ZSGRWBMIYZCLGM-INIZCTEOSA-N 2 0 304.478 3.997 20 0 DHADRP Cc1[nH+]ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000307631184 1036993138 /nfs/dbraw/zinc/99/31/38/1036993138.db2.gz ZMNNCWXEBFJLRE-HNNXBMFYSA-N 2 0 301.821 3.730 20 0 DHADRP CC(=O)Nc1cccc([C@H](C)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000237521884 1037015080 /nfs/dbraw/zinc/01/50/80/1037015080.db2.gz UJTJECJVPLAARE-AWEZNQCLSA-N 2 0 317.477 3.559 20 0 DHADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000315997050 1037064331 /nfs/dbraw/zinc/06/43/31/1037064331.db2.gz ZRYAJOHTRIGUFU-IAGOWNOFSA-N 2 0 310.526 3.679 20 0 DHADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000315997047 1037064775 /nfs/dbraw/zinc/06/47/75/1037064775.db2.gz ZRYAJOHTRIGUFU-DLBZAZTESA-N 2 0 310.526 3.679 20 0 DHADRP Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000488566265 1037081555 /nfs/dbraw/zinc/08/15/55/1037081555.db2.gz HNWSIHYQEYALRQ-NRFANRHFSA-N 2 0 322.496 3.958 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001203911789 1037097860 /nfs/dbraw/zinc/09/78/60/1037097860.db2.gz PELGKZGEJDQKOV-UHFFFAOYSA-N 2 0 313.283 3.613 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[N@@H+]([C@@H]4C[C@H]4C)C[C@@H](C)C3)c2c1 ZINC000488747202 1037126736 /nfs/dbraw/zinc/12/67/36/1037126736.db2.gz ITIBSROSDVGLLK-RZQQEMMASA-N 2 0 309.457 3.710 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1OC(F)F ZINC000915683247 1037132916 /nfs/dbraw/zinc/13/29/16/1037132916.db2.gz ZLIRRASHQPFMNK-HZPDHXFCSA-N 2 0 324.415 3.621 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000309761538 1037179029 /nfs/dbraw/zinc/17/90/29/1037179029.db2.gz DTMMDIWOVIJOEQ-JYBIWHBTSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347433125 1037188715 /nfs/dbraw/zinc/18/87/15/1037188715.db2.gz GOBBOCSNZCCUQI-QRVBRYPASA-N 2 0 308.510 3.532 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CCO1 ZINC001199028473 1037193645 /nfs/dbraw/zinc/19/36/45/1037193645.db2.gz XYVOSKAWKDGONB-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@H]1C[C@H](C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CCO1 ZINC001199028471 1037193863 /nfs/dbraw/zinc/19/38/63/1037193863.db2.gz XYVOSKAWKDGONB-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CCO1 ZINC001199028472 1037194062 /nfs/dbraw/zinc/19/40/62/1037194062.db2.gz XYVOSKAWKDGONB-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP CC(C)C[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310032801 1037205322 /nfs/dbraw/zinc/20/53/22/1037205322.db2.gz YOHYSXUSLRHIOO-DFQSSKMNSA-N 2 0 300.490 3.875 20 0 DHADRP CC(C)CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001199118863 1037207052 /nfs/dbraw/zinc/20/70/52/1037207052.db2.gz SKMJKHQGRWACIH-UHFFFAOYSA-N 2 0 323.912 3.618 20 0 DHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC001199171096 1037211773 /nfs/dbraw/zinc/21/17/73/1037211773.db2.gz UZZMIQXXCHVMJU-MSOLQXFVSA-N 2 0 323.569 3.597 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310292520 1037227140 /nfs/dbraw/zinc/22/71/40/1037227140.db2.gz ZOEKFGVOVCHCGD-FXAWDEMLSA-N 2 0 324.468 3.695 20 0 DHADRP CCc1cccc(F)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001199345995 1037241666 /nfs/dbraw/zinc/24/16/66/1037241666.db2.gz VSFMBRIUEHHTLV-INIZCTEOSA-N 2 0 306.469 3.990 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC001199328656 1037245842 /nfs/dbraw/zinc/24/58/42/1037245842.db2.gz CRSONYWRANDCNL-UHFFFAOYSA-N 2 0 300.490 3.777 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000924843701 1037269674 /nfs/dbraw/zinc/26/96/74/1037269674.db2.gz LYOKJEFJPIDLAF-HNNXBMFYSA-N 2 0 316.489 3.582 20 0 DHADRP CC(C)CSCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000397334008 1037282697 /nfs/dbraw/zinc/28/26/97/1037282697.db2.gz ASGSPPQMLRCYPY-UHFFFAOYSA-N 2 0 320.546 3.672 20 0 DHADRP C[C@H](C[NH2+]C/C=C\c1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC001199580794 1037285652 /nfs/dbraw/zinc/28/56/52/1037285652.db2.gz ALWHXXDSHAOHGE-IYKSTZQJSA-N 2 0 308.416 3.690 20 0 DHADRP C[C@H](C[NH2+]C/C=C/c1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC001199580797 1037286143 /nfs/dbraw/zinc/28/61/43/1037286143.db2.gz ALWHXXDSHAOHGE-LLYBFZRZSA-N 2 0 308.416 3.690 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCCc2c[nH]c3ccccc23)CC1 ZINC000177992261 1037286019 /nfs/dbraw/zinc/28/60/19/1037286019.db2.gz ONOBGTFXNILFRP-UHFFFAOYSA-N 2 0 313.489 3.953 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)C1 ZINC000774964462 1037295391 /nfs/dbraw/zinc/29/53/91/1037295391.db2.gz VQOLKXZVATWUQV-XLIONFOSSA-N 2 0 314.473 3.701 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)C1 ZINC000774964463 1037296223 /nfs/dbraw/zinc/29/62/23/1037296223.db2.gz VQOLKXZVATWUQV-YLJYHZDGSA-N 2 0 314.473 3.701 20 0 DHADRP CCCCCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205095369 1037298232 /nfs/dbraw/zinc/29/82/32/1037298232.db2.gz XKZYAVASMYLOLZ-GOSISDBHSA-N 2 0 304.478 3.959 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000774965193 1037298769 /nfs/dbraw/zinc/29/87/69/1037298769.db2.gz YEQQMMONZNOZOJ-XLIONFOSSA-N 2 0 314.473 3.843 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178178280 1037301346 /nfs/dbraw/zinc/30/13/46/1037301346.db2.gz QSEXKBVRRUVQJX-GOSISDBHSA-N 2 0 318.505 3.967 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccsc1 ZINC000178620433 1037328519 /nfs/dbraw/zinc/32/85/19/1037328519.db2.gz BITCCINBMOWPIM-WMZOPIPTSA-N 2 0 314.498 3.963 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000105459410 1037408603 /nfs/dbraw/zinc/40/86/03/1037408603.db2.gz UEYMGBQYPDXUMB-UHFFFAOYSA-N 2 0 324.468 3.697 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC001200872509 1037452926 /nfs/dbraw/zinc/45/29/26/1037452926.db2.gz PWMKKBQLLQQIKJ-RBUKOAKNSA-N 2 0 310.526 3.538 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC001200879339 1037456175 /nfs/dbraw/zinc/45/61/75/1037456175.db2.gz FXYJVGMTSOHCBG-MKCYZYCBSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000397798163 1037528878 /nfs/dbraw/zinc/52/88/78/1037528878.db2.gz FEKXQPFGZZKGRW-OGWHTMIXSA-N 2 0 300.490 3.921 20 0 DHADRP c1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc(OC2CCCC2)c1 ZINC000490001866 1037575237 /nfs/dbraw/zinc/57/52/37/1037575237.db2.gz CGCIFRBSCHVLSN-HXUWFJFHSA-N 2 0 314.473 3.584 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000493888571 1037582276 /nfs/dbraw/zinc/58/22/76/1037582276.db2.gz OAXBYRLGNJXEIT-NSHGMRRFSA-N 2 0 318.505 3.864 20 0 DHADRP Fc1cccc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000490093556 1037611582 /nfs/dbraw/zinc/61/15/82/1037611582.db2.gz ZQXLXSXMLHXVKM-GOSISDBHSA-N 2 0 304.453 3.566 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490152275 1037613040 /nfs/dbraw/zinc/61/30/40/1037613040.db2.gz VDCSZEJTYRPCRN-MRLCAUJQSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000924851079 1037633930 /nfs/dbraw/zinc/63/39/30/1037633930.db2.gz BNRNDMCYOOGGJQ-ICSRJNTNSA-N 2 0 323.484 3.514 20 0 DHADRP Fc1cccc(CCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000182803497 1037678915 /nfs/dbraw/zinc/67/89/15/1037678915.db2.gz VBKBFVMMURTWFK-IBGZPJMESA-N 2 0 304.453 3.709 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC001201557923 1037776026 /nfs/dbraw/zinc/77/60/26/1037776026.db2.gz OSBQXOSYGIRXCR-ZWKOTPCHSA-N 2 0 316.489 3.510 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC001201557922 1037779133 /nfs/dbraw/zinc/77/91/33/1037779133.db2.gz OSBQXOSYGIRXCR-ROUUACIJSA-N 2 0 316.489 3.510 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@H]1C(F)(F)F ZINC000629560030 1037781475 /nfs/dbraw/zinc/78/14/75/1037781475.db2.gz CIQJNMCNSMXEHK-GDBMZVCRSA-N 2 0 312.379 3.523 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001201568156 1037783971 /nfs/dbraw/zinc/78/39/71/1037783971.db2.gz OLNBSAKKSXQDHM-LJQANCHMSA-N 2 0 311.558 3.552 20 0 DHADRP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000219372666 1037836431 /nfs/dbraw/zinc/83/64/31/1037836431.db2.gz GCAXPHAUIZIJED-RTWAWAEBSA-N 2 0 306.453 3.641 20 0 DHADRP c1ccc(CCC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001201663876 1037839554 /nfs/dbraw/zinc/83/95/54/1037839554.db2.gz NCOHDICJURIPBJ-FQEVSTJZSA-N 2 0 300.490 3.960 20 0 DHADRP CCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201707371 1037849338 /nfs/dbraw/zinc/84/93/38/1037849338.db2.gz ZYRBKXUOHSLFKP-IBGZPJMESA-N 2 0 316.489 3.542 20 0 DHADRP CC(C)c1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001201795088 1037895464 /nfs/dbraw/zinc/89/54/64/1037895464.db2.gz NZHYBWIFTRKNRG-UHFFFAOYSA-N 2 0 324.472 3.569 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H](C)C2 ZINC000491057819 1037899252 /nfs/dbraw/zinc/89/92/52/1037899252.db2.gz XCZRZUQKCDJBAR-ABSDTBQOSA-N 2 0 300.490 3.938 20 0 DHADRP Cc1nc(F)ccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC001201850486 1037920933 /nfs/dbraw/zinc/92/09/33/1037920933.db2.gz FAVUXXSWXFSJCH-ZDUSSCGKSA-N 2 0 310.376 3.566 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125383816 1037936024 /nfs/dbraw/zinc/93/60/24/1037936024.db2.gz PERBEZUECWQDIZ-IBGZPJMESA-N 2 0 306.469 3.714 20 0 DHADRP COCCC1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCCC1 ZINC000186887345 1037937646 /nfs/dbraw/zinc/93/76/46/1037937646.db2.gz WXALCCPQKGJEHY-UHFFFAOYSA-N 2 0 310.526 3.826 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001201919584 1037940667 /nfs/dbraw/zinc/94/06/67/1037940667.db2.gz GVZMELPTGGMOPW-ROUUACIJSA-N 2 0 312.542 3.929 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CCSCC1 ZINC000187114039 1037945876 /nfs/dbraw/zinc/94/58/76/1037945876.db2.gz IFEVVXVUFGGBSO-HNNXBMFYSA-N 2 0 310.551 3.762 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187536080 1037976280 /nfs/dbraw/zinc/97/62/80/1037976280.db2.gz GEQYQWFORAWPRC-ZMSDIMECSA-N 2 0 310.551 3.761 20 0 DHADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCC(C)(C)C)C[C@@H]3C2)cc1 ZINC001202073571 1038038953 /nfs/dbraw/zinc/03/89/53/1038038953.db2.gz RFLKYXIEWBPFRE-RTBURBONSA-N 2 0 300.490 3.795 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000126394680 1038065053 /nfs/dbraw/zinc/06/50/53/1038065053.db2.gz MKOCFURPVOYMRC-OAHLLOKOSA-N 2 0 313.272 3.912 20 0 DHADRP c1cc(C[N@H+]2CCC3(C2)CC[NH+](CC2CCCC2)CC3)co1 ZINC001202167890 1038080515 /nfs/dbraw/zinc/08/05/15/1038080515.db2.gz YBVASOUKSDVLSU-UHFFFAOYSA-N 2 0 302.462 3.758 20 0 DHADRP CCCc1csc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000494387024 1038081695 /nfs/dbraw/zinc/08/16/95/1038081695.db2.gz QUPVOVRXIBVXPM-HNNXBMFYSA-N 2 0 309.523 3.697 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000065996780 1038134568 /nfs/dbraw/zinc/13/45/68/1038134568.db2.gz KRFAUKDRBRWPSI-UHFFFAOYSA-N 2 0 318.461 3.986 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571550692 1038167353 /nfs/dbraw/zinc/16/73/53/1038167353.db2.gz PIVGXDMEGYNNPK-HOTGVXAUSA-N 2 0 321.534 3.983 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2CCC2)ccc1OC ZINC000775384512 1038313419 /nfs/dbraw/zinc/31/34/19/1038313419.db2.gz TXYYIHUJMKWQDX-HNNXBMFYSA-N 2 0 304.478 3.988 20 0 DHADRP Cc1cccc(C)c1OCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001191256265 1038468406 /nfs/dbraw/zinc/46/84/06/1038468406.db2.gz GZKRKIYXHUXDTP-LJQANCHMSA-N 2 0 318.505 3.879 20 0 DHADRP CCSc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001191521413 1038512254 /nfs/dbraw/zinc/51/22/54/1038512254.db2.gz QKYZKQNCTVSQRH-RDJZCZTQSA-N 2 0 304.503 3.715 20 0 DHADRP c1coc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001203290002 1038556496 /nfs/dbraw/zinc/55/64/96/1038556496.db2.gz SWIVRQDWNSDVBZ-RBUKOAKNSA-N 2 0 310.441 3.624 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@H]1C[NH3+] ZINC001205604638 1038693547 /nfs/dbraw/zinc/69/35/47/1038693547.db2.gz VVJGCKPKIUEGFK-RYUDHWBXSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@H]1C[NH3+] ZINC001205605106 1038696658 /nfs/dbraw/zinc/69/66/58/1038696658.db2.gz ZABWHBLJEXIJRF-AAEUAGOBSA-N 2 0 318.358 3.651 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168400089 1038751066 /nfs/dbraw/zinc/75/10/66/1038751066.db2.gz HKAPTBKMLLGENI-LJQANCHMSA-N 2 0 304.453 3.667 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1F ZINC000573338131 1038914752 /nfs/dbraw/zinc/91/47/52/1038914752.db2.gz DYJSNSMAFRHTKD-JLLWLGSASA-N 2 0 315.230 3.509 20 0 DHADRP CC[C@H](CCc1ccccc1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000599046049 1039003331 /nfs/dbraw/zinc/00/33/31/1039003331.db2.gz GLIPPOCKZMKWBR-GOSISDBHSA-N 2 0 320.546 3.815 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000573732821 1039063536 /nfs/dbraw/zinc/06/35/36/1039063536.db2.gz FDOKZJJSUYXXKC-BJLQDIEVSA-N 2 0 323.569 3.740 20 0 DHADRP CSCCCCC[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000573821789 1039078559 /nfs/dbraw/zinc/07/85/59/1039078559.db2.gz FCSIHOLRIVCLDH-ZWKOTPCHSA-N 2 0 306.519 3.945 20 0 DHADRP c1ccc2c(c1)CC[N@@H+](CCCNc1cc[nH+]c3ccccc13)C2 ZINC000599457328 1039162649 /nfs/dbraw/zinc/16/26/49/1039162649.db2.gz SZTMQUGYTXVSBS-UHFFFAOYSA-N 2 0 317.436 3.517 20 0 DHADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168417966 1039480259 /nfs/dbraw/zinc/48/02/59/1039480259.db2.gz VEEPCHDQSSZRCD-VAMGGRTRSA-N 2 0 318.480 3.911 20 0 DHADRP CCCOc1cccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000604771112 1039534942 /nfs/dbraw/zinc/53/49/42/1039534942.db2.gz XNPLJHBQWPIKDH-SFHVURJKSA-N 2 0 306.494 3.931 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)C(C)(C)C ZINC000606470170 1039901763 /nfs/dbraw/zinc/90/17/63/1039901763.db2.gz JSWSOEBITBBVCO-QGZVFWFLSA-N 2 0 318.505 3.856 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000574772046 1039937491 /nfs/dbraw/zinc/93/74/91/1039937491.db2.gz XFWIRZAYQDRYCG-KGLIPLIRSA-N 2 0 301.261 3.786 20 0 DHADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)CSCCF ZINC000595009411 1040021230 /nfs/dbraw/zinc/02/12/30/1040021230.db2.gz YOJVHOHLAKYHEA-OAHLLOKOSA-N 2 0 312.498 3.708 20 0 DHADRP CCSC1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000595099690 1040063374 /nfs/dbraw/zinc/06/33/74/1040063374.db2.gz OGLMSSHSIVWIAX-FUHWJXTLSA-N 2 0 318.530 3.772 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000607151854 1040102196 /nfs/dbraw/zinc/10/21/96/1040102196.db2.gz UMAMROWRKMJNSP-UHFFFAOYSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@H](C[NH2+]CC(C)(C)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000575112513 1040181085 /nfs/dbraw/zinc/18/10/85/1040181085.db2.gz TXOKJBNCZFAJSK-GFCCVEGCSA-N 2 0 302.384 3.739 20 0 DHADRP C[C@@]1(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCCS1 ZINC000397636204 1040400551 /nfs/dbraw/zinc/40/05/51/1040400551.db2.gz QBHQMJLJDZKBNF-IBGZPJMESA-N 2 0 318.530 3.774 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000669614082 1040772396 /nfs/dbraw/zinc/77/23/96/1040772396.db2.gz JZKPTAZQBDTTHO-LJQANCHMSA-N 2 0 314.473 3.679 20 0 DHADRP C[C@H](c1ccccn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821618 185343950 /nfs/dbraw/zinc/34/39/50/185343950.db2.gz OJXYJPBFYNVZPU-QGZVFWFLSA-N 2 0 324.472 3.776 20 0 DHADRP C[N@@H+](Cc1cccc(-c2cccnc2)c1)CC1CC[NH+](C)CC1 ZINC000093088891 193202514 /nfs/dbraw/zinc/20/25/14/193202514.db2.gz WINZLTHSBAGCGH-UHFFFAOYSA-N 2 0 309.457 3.522 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000093977896 193333792 /nfs/dbraw/zinc/33/37/92/193333792.db2.gz ITKDTERLKZVPGH-VBNZEHGJSA-N 2 0 323.278 3.727 20 0 DHADRP C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000477917346 335026515 /nfs/dbraw/zinc/02/65/15/335026515.db2.gz GWLRZEHASLBPBC-CQSZACIVSA-N 2 0 321.534 3.795 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000110644034 194345458 /nfs/dbraw/zinc/34/54/58/194345458.db2.gz SRUYKEQGPYRHJA-VXGBXAGGSA-N 2 0 311.267 3.569 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626149 184178961 /nfs/dbraw/zinc/17/89/61/184178961.db2.gz YHERZZPBAXHARD-XUJVJEKNSA-N 2 0 300.368 3.524 20 0 DHADRP CC[NH+]1CCC([NH2+]CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000287215896 535473249 /nfs/dbraw/zinc/47/32/49/535473249.db2.gz DAWPUSQPIUTRRO-UHFFFAOYSA-N 2 0 323.893 3.566 20 0 DHADRP C[C@H](CC[NH2+][C@H](C)c1ccc2c(c1)COC2)[NH+]1CCCCC1 ZINC000273310459 130104940 /nfs/dbraw/zinc/10/49/40/130104940.db2.gz WMFDNFXRNOIFLQ-HZPDHXFCSA-N 2 0 302.462 3.632 20 0 DHADRP CC(C)OCCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759505 130259366 /nfs/dbraw/zinc/25/93/66/130259366.db2.gz JUKHISSZTOSNAV-UYAOXDASSA-N 2 0 318.505 3.692 20 0 DHADRP c1c[nH]c([C@@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)n1 ZINC000275792296 130387204 /nfs/dbraw/zinc/38/72/04/130387204.db2.gz YWDXSJCUOLOBIU-QGZVFWFLSA-N 2 0 313.445 3.838 20 0 DHADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278412903 130690271 /nfs/dbraw/zinc/69/02/71/130690271.db2.gz HTSYVVYSLHWANY-QGZVFWFLSA-N 2 0 302.487 3.688 20 0 DHADRP c1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000278462070 130693555 /nfs/dbraw/zinc/69/35/55/130693555.db2.gz MTPKIXRSDIOPOS-NRFANRHFSA-N 2 0 321.468 3.635 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000279797334 130764296 /nfs/dbraw/zinc/76/42/96/130764296.db2.gz VVBCWHMPOXNWRC-SCTDSRPQSA-N 2 0 306.494 3.863 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340183791 131017740 /nfs/dbraw/zinc/01/77/40/131017740.db2.gz FOBLSAYAGNAULC-LPHOPBHVSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cn[nH]c1 ZINC000283987601 131038636 /nfs/dbraw/zinc/03/86/36/131038636.db2.gz HEUFIVOVGNEDQI-CVEARBPZSA-N 2 0 312.461 3.635 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287305771 131274260 /nfs/dbraw/zinc/27/42/60/131274260.db2.gz DUDGGKMZTKLORH-IPFAQRCESA-N 2 0 316.514 3.523 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340262302 131302155 /nfs/dbraw/zinc/30/21/55/131302155.db2.gz XFLBOQLHKGTRMZ-HNAYVOBHSA-N 2 0 304.478 3.571 20 0 DHADRP Cc1ccncc1CCC[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000289208401 131366479 /nfs/dbraw/zinc/36/64/79/131366479.db2.gz IJTUFHWJVDHBOI-SFHVURJKSA-N 2 0 303.494 3.567 20 0 DHADRP CC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289457796 131388107 /nfs/dbraw/zinc/38/81/07/131388107.db2.gz NYWFUXNOBYYMLS-UHFFFAOYSA-N 2 0 314.477 3.548 20 0 DHADRP CCS[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297780693 132033882 /nfs/dbraw/zinc/03/38/82/132033882.db2.gz WFJZODFHVQYQCR-WMZOPIPTSA-N 2 0 319.518 3.704 20 0 DHADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(C)cs1 ZINC000298237977 132052175 /nfs/dbraw/zinc/05/21/75/132052175.db2.gz BYOSGWOLVPXDJS-INIZCTEOSA-N 2 0 316.474 3.556 20 0 DHADRP Fc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000298264686 132053268 /nfs/dbraw/zinc/05/32/68/132053268.db2.gz FZYLLJTXKKFVMR-UHFFFAOYSA-N 2 0 319.811 3.633 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)C[NH+](C)C ZINC000391742478 335087553 /nfs/dbraw/zinc/08/75/53/335087553.db2.gz SJVDPAWZJVZIJH-ROUUACIJSA-N 2 0 310.485 3.994 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000525874194 335088109 /nfs/dbraw/zinc/08/81/09/335088109.db2.gz VQSIWTLYPXYOLK-IBGZPJMESA-N 2 0 316.489 3.796 20 0 DHADRP Clc1cc2c(c(C[NH2+]CCCCC[NH+]3CCCC3)c1)OCC2 ZINC000557038246 331765042 /nfs/dbraw/zinc/76/50/42/331765042.db2.gz GWJLSXLVFOQBSC-UHFFFAOYSA-N 2 0 322.880 3.631 20 0 DHADRP COc1ccc(F)c(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000559270653 332010530 /nfs/dbraw/zinc/01/05/30/332010530.db2.gz YDTHAXJGEIWQGW-UHFFFAOYSA-N 2 0 308.441 3.580 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccsc2S1 ZINC000130611911 332025171 /nfs/dbraw/zinc/02/51/71/332025171.db2.gz SNYIGRFABYNIQM-SWLSCSKDSA-N 2 0 310.532 3.995 20 0 DHADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000559328327 332026995 /nfs/dbraw/zinc/02/69/95/332026995.db2.gz AIGCUUCAHZHTKG-UHFFFAOYSA-N 2 0 310.869 3.704 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000569474136 332099520 /nfs/dbraw/zinc/09/95/20/332099520.db2.gz WSHYGGIEBPLLLF-MLHJIOFPSA-N 2 0 301.478 3.523 20 0 DHADRP Cc1cccc(CCC[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000181205353 332187057 /nfs/dbraw/zinc/18/70/57/332187057.db2.gz LQVRUGBAAUTWOC-IBGZPJMESA-N 2 0 311.473 3.616 20 0 DHADRP COc1cccc2c1CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000426062044 335096821 /nfs/dbraw/zinc/09/68/21/335096821.db2.gz WHQZXCFXZBANNR-APWZRJJASA-N 2 0 318.505 3.509 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000044516707 332287964 /nfs/dbraw/zinc/28/79/64/332287964.db2.gz VNFAMRQVLUUIBD-OAHLLOKOSA-N 2 0 310.894 3.808 20 0 DHADRP COc1cccc2c1CC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C2 ZINC000426075195 335100682 /nfs/dbraw/zinc/10/06/82/335100682.db2.gz FMZSQKNWKKTTGH-SFHVURJKSA-N 2 0 318.505 3.651 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C1CC1 ZINC000560244447 332322668 /nfs/dbraw/zinc/32/26/68/332322668.db2.gz XWKCUGKEYHQWSG-HXUWFJFHSA-N 2 0 300.490 3.638 20 0 DHADRP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000560521321 332349947 /nfs/dbraw/zinc/34/99/47/332349947.db2.gz CUIMHFCVDKJSMB-ZCNNSNEGSA-N 2 0 300.490 3.815 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)[C@@H]2CCC[C@H]21 ZINC000560524617 332350360 /nfs/dbraw/zinc/35/03/60/332350360.db2.gz ILAXGHPRSCMYOS-OKZBNKHCSA-N 2 0 318.892 3.834 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1cccc(C)c1 ZINC000560544664 332356418 /nfs/dbraw/zinc/35/64/18/332356418.db2.gz RYGIRRFBSKIMNS-GSEOLPGOSA-N 2 0 316.489 3.615 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)[C@@H](C)C1 ZINC000560569737 332360702 /nfs/dbraw/zinc/36/07/02/332360702.db2.gz JALCJAXGWVOEGQ-YOEHRIQHSA-N 2 0 319.880 3.615 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000562297049 332570588 /nfs/dbraw/zinc/57/05/88/332570588.db2.gz KJLHQEFSGSXDTG-SNVBAGLBSA-N 2 0 321.412 3.544 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OC(F)F)c1)C[NH+]1CCCC1 ZINC000171141772 332641916 /nfs/dbraw/zinc/64/19/16/332641916.db2.gz VYPCRMUYEOBHLG-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000562956156 332651759 /nfs/dbraw/zinc/65/17/59/332651759.db2.gz GTIDYRVQRPEXBG-GFCCVEGCSA-N 2 0 321.465 3.908 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)c1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000562959551 332652229 /nfs/dbraw/zinc/65/22/29/332652229.db2.gz IACYNSJJVWBWDB-OLZOCXBDSA-N 2 0 312.860 3.734 20 0 DHADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000181751746 333064391 /nfs/dbraw/zinc/06/43/91/333064391.db2.gz FUMMVBUIVZMECW-IEBWSBKVSA-N 2 0 301.478 3.856 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000378950586 333067004 /nfs/dbraw/zinc/06/70/04/333067004.db2.gz HAJMCXXTYVHUPK-JQHSSLGASA-N 2 0 302.462 3.751 20 0 DHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccccn1 ZINC000174452441 333086597 /nfs/dbraw/zinc/08/65/97/333086597.db2.gz FZPWDYFQYQPIHF-UHFFFAOYSA-N 2 0 321.424 3.596 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000066057132 335120921 /nfs/dbraw/zinc/12/09/21/335120921.db2.gz CXGAPYFCFXNQEF-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000066057130 335120998 /nfs/dbraw/zinc/12/09/98/335120998.db2.gz YQIVNLYQGPHOQM-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000177342062 333127472 /nfs/dbraw/zinc/12/74/72/333127472.db2.gz LAMZTVRQJFUUOB-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(OC)cc2)C[C@H]1C ZINC000538283600 333153653 /nfs/dbraw/zinc/15/36/53/333153653.db2.gz QSLVJJNOAFQCJH-JZXOWHBKSA-N 2 0 304.478 3.603 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC000538283609 333154815 /nfs/dbraw/zinc/15/48/15/333154815.db2.gz QSLVJJNOAFQCJH-RYRKJORJSA-N 2 0 304.478 3.603 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000572662876 333169400 /nfs/dbraw/zinc/16/94/00/333169400.db2.gz YMRSWQIRRWXTBG-HBFSDRIKSA-N 2 0 310.441 3.666 20 0 DHADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000310763134 333258694 /nfs/dbraw/zinc/25/86/94/333258694.db2.gz NAQSVFJJNLBBHF-WFASDCNBSA-N 2 0 313.283 3.688 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CCCc2ccc(O)cc21 ZINC000319142779 333264343 /nfs/dbraw/zinc/26/43/43/333264343.db2.gz FQOUTCKJKVWVSL-KXBFYZLASA-N 2 0 302.462 3.624 20 0 DHADRP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000390718553 333319398 /nfs/dbraw/zinc/31/93/98/333319398.db2.gz MEQFQCFSNSDDHN-OAQYLSRUSA-N 2 0 308.469 3.861 20 0 DHADRP CCSCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000390768839 333391730 /nfs/dbraw/zinc/39/17/30/333391730.db2.gz JWIRHCKXIOOYCO-CEXWTWQISA-N 2 0 318.530 3.630 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](F)C2)CC1 ZINC000563125484 333394671 /nfs/dbraw/zinc/39/46/71/333394671.db2.gz NVUNMBMQLWUPBP-POAQFYNOSA-N 2 0 318.480 3.952 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCS2 ZINC000187166838 333424069 /nfs/dbraw/zinc/42/40/69/333424069.db2.gz RKHYWCGOBNORQR-QGZVFWFLSA-N 2 0 304.503 3.772 20 0 DHADRP C[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000320260529 333471103 /nfs/dbraw/zinc/47/11/03/333471103.db2.gz CHLIKQWJIYWMGY-KRWDZBQOSA-N 2 0 309.457 3.661 20 0 DHADRP CC(C)C1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000236587319 333512401 /nfs/dbraw/zinc/51/24/01/333512401.db2.gz DQSZABWRSIQYSJ-YXWAVELNSA-N 2 0 310.526 3.680 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000414153747 333904225 /nfs/dbraw/zinc/90/42/25/333904225.db2.gz RNVCQAAXKPKXKK-OAHLLOKOSA-N 2 0 302.462 3.529 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)ccc12 ZINC000414200606 333913414 /nfs/dbraw/zinc/91/34/14/333913414.db2.gz ZZDKJPBPNYQJGV-OXJNMPFZSA-N 2 0 321.424 3.592 20 0 DHADRP C[N@H+](CC(Cc1ccccc1)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000414647870 334054334 /nfs/dbraw/zinc/05/43/34/334054334.db2.gz AJSSAWUWUBGJJG-UHFFFAOYSA-N 2 0 322.496 3.772 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000414652581 334055182 /nfs/dbraw/zinc/05/51/82/334055182.db2.gz DLGVFDREYZPACF-KXBFYZLASA-N 2 0 310.441 3.531 20 0 DHADRP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(F)(F)F ZINC000414652817 334055248 /nfs/dbraw/zinc/05/52/48/334055248.db2.gz HNSQQKHDFQYHIA-YIONKMFJSA-N 2 0 312.379 3.729 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414657324 334058441 /nfs/dbraw/zinc/05/84/41/334058441.db2.gz HQFLABLEXRILDA-UHFFFAOYSA-N 2 0 314.395 3.835 20 0 DHADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000414659603 334059552 /nfs/dbraw/zinc/05/95/52/334059552.db2.gz LHGGLBIFGUMOHL-SQWLQELKSA-N 2 0 312.379 3.573 20 0 DHADRP [NH3+]C[C@@H]1CC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414660230 334060267 /nfs/dbraw/zinc/06/02/67/334060267.db2.gz UVNMKNDSIQJYDE-PDGUBNMISA-N 2 0 322.452 3.559 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc2)cc1 ZINC000414662800 334061084 /nfs/dbraw/zinc/06/10/84/334061084.db2.gz QNFWGHMAZZVLAG-FXAWDEMLSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414706074 334071990 /nfs/dbraw/zinc/07/19/90/334071990.db2.gz OITOMMHQESNROF-YFHUEUNASA-N 2 0 304.503 3.553 20 0 DHADRP CC(C)C[C@H](C)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000414726727 334074665 /nfs/dbraw/zinc/07/46/65/334074665.db2.gz ZTDCKRSMIVHYQA-HOTGVXAUSA-N 2 0 321.534 3.769 20 0 DHADRP C[C@H]1C[C@@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414736248 334075910 /nfs/dbraw/zinc/07/59/10/334075910.db2.gz MWZZIUVANSGMHI-GJZGRUSLSA-N 2 0 322.880 3.571 20 0 DHADRP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772914 334090400 /nfs/dbraw/zinc/09/04/00/334090400.db2.gz CSOKQHPIGYYVRW-CVEARBPZSA-N 2 0 319.518 3.622 20 0 DHADRP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772916 334090511 /nfs/dbraw/zinc/09/05/11/334090511.db2.gz CSOKQHPIGYYVRW-HOTGVXAUSA-N 2 0 319.518 3.622 20 0 DHADRP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772928 334090560 /nfs/dbraw/zinc/09/05/60/334090560.db2.gz CTDWBVHLHLZEEN-KGLIPLIRSA-N 2 0 312.379 3.527 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780421 334093355 /nfs/dbraw/zinc/09/33/55/334093355.db2.gz LMOXDGNRWNGKHV-ZWKOTPCHSA-N 2 0 324.468 3.670 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414782736 334093931 /nfs/dbraw/zinc/09/39/31/334093931.db2.gz OTRFKDDPCKXJRS-LSDHHAIUSA-N 2 0 312.379 3.527 20 0 DHADRP Clc1ccccc1-c1ccc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000414785517 334095110 /nfs/dbraw/zinc/09/51/10/334095110.db2.gz JGTGMCQWDHNNJA-UHFFFAOYSA-N 2 0 306.862 3.910 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000438202714 334096900 /nfs/dbraw/zinc/09/69/00/334096900.db2.gz QEIWSUXIKSBZMO-TZMCWYRMSA-N 2 0 304.400 3.714 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000414810227 334105187 /nfs/dbraw/zinc/10/51/87/334105187.db2.gz HOTFBZYKKVYACU-TUKIKUTGSA-N 2 0 300.368 3.917 20 0 DHADRP COc1ccc2oc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cc2c1 ZINC000414816310 334106683 /nfs/dbraw/zinc/10/66/83/334106683.db2.gz ZXCPVXNXCJQGGP-CYBMUJFWSA-N 2 0 310.397 3.751 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821089 334108491 /nfs/dbraw/zinc/10/84/91/334108491.db2.gz KPPRCDYTJVEHSE-TUKIKUTGSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414824151 334108706 /nfs/dbraw/zinc/10/87/06/334108706.db2.gz QDAKHWIVSFGIIF-IPYPFGDCSA-N 2 0 314.395 3.787 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414825261 334109252 /nfs/dbraw/zinc/10/92/52/334109252.db2.gz GUUFNFYBSSZZOR-CYBMUJFWSA-N 2 0 304.434 3.643 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414829427 334110446 /nfs/dbraw/zinc/11/04/46/334110446.db2.gz AUEKZVWOERTBJD-UONOGXRCSA-N 2 0 314.395 3.616 20 0 DHADRP Fc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414830595 334110558 /nfs/dbraw/zinc/11/05/58/334110558.db2.gz PAEXGGVPVLXISU-ZDUSSCGKSA-N 2 0 304.434 3.643 20 0 DHADRP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(Cl)c1Cl ZINC000414832613 334111100 /nfs/dbraw/zinc/11/11/00/334111100.db2.gz FGQFIZTUZAYLAH-SNVBAGLBSA-N 2 0 305.224 3.612 20 0 DHADRP c1ccc(COc2cccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000414848686 334121045 /nfs/dbraw/zinc/12/10/45/334121045.db2.gz KROUGMMQSHKSRO-SFHVURJKSA-N 2 0 324.468 3.745 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848892 334121598 /nfs/dbraw/zinc/12/15/98/334121598.db2.gz XOZKTSLQOJWRBO-MAZHCROVSA-N 2 0 314.395 3.787 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414854519 334127894 /nfs/dbraw/zinc/12/78/94/334127894.db2.gz LYFKHLLQNVYQLA-ZFWWWQNUSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414859902 334132176 /nfs/dbraw/zinc/13/21/76/334132176.db2.gz UYCMQFHQOVRNAQ-CMPLNLGQSA-N 2 0 320.786 3.837 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000282795805 334137094 /nfs/dbraw/zinc/13/70/94/334137094.db2.gz QMNWZCVQIUWTHN-UHFFFAOYSA-N 2 0 317.452 3.702 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1([NH3+])CCC1 ZINC000414875718 334145727 /nfs/dbraw/zinc/14/57/27/334145727.db2.gz KKIUCWWWNGUEQJ-CYBMUJFWSA-N 2 0 301.261 3.786 20 0 DHADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414898203 334161464 /nfs/dbraw/zinc/16/14/64/334161464.db2.gz SLEVTMBOVBHWNH-QMMMGPOBSA-N 2 0 314.273 3.551 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898452 334161698 /nfs/dbraw/zinc/16/16/98/334161698.db2.gz GBJWDRZMBQWNJE-ZDUSSCGKSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H](CC[NH3+])[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414901179 334164987 /nfs/dbraw/zinc/16/49/87/334164987.db2.gz WXMKTJJCJIOBAM-JZLODUJNSA-N 2 0 310.441 3.606 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]CC3(C)CC[NH2+]CC3)cs2)cc1 ZINC000414906516 334170061 /nfs/dbraw/zinc/17/00/61/334170061.db2.gz PZRWCDRNDWBTJD-UHFFFAOYSA-N 2 0 315.486 3.598 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)cc2)cc1 ZINC000414939755 334201041 /nfs/dbraw/zinc/20/10/41/334201041.db2.gz JNIICPAFHFAYNH-DYESRHJHSA-N 2 0 324.468 3.662 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+]C3(C)CC[NH2+]CC3)cc2)cc1 ZINC000414941219 334202354 /nfs/dbraw/zinc/20/23/54/334202354.db2.gz LCAOQGCHNFDJSN-UHFFFAOYSA-N 2 0 324.468 3.806 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414945960 334205141 /nfs/dbraw/zinc/20/51/41/334205141.db2.gz IZOMPWCNSROLKL-PGRDOPGGSA-N 2 0 322.496 3.818 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414945068 334205366 /nfs/dbraw/zinc/20/53/66/334205366.db2.gz HUBPHSGVJMQZLA-MAUKXSAKSA-N 2 0 310.441 3.592 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414954322 334208058 /nfs/dbraw/zinc/20/80/58/334208058.db2.gz SNSQKZZEGITUTL-STZQEDGTSA-N 2 0 322.496 3.961 20 0 DHADRP Fc1cc(-c2ccncc2)ccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414960989 334212449 /nfs/dbraw/zinc/21/24/49/334212449.db2.gz BBKQZUXJULJWPE-SFHVURJKSA-N 2 0 313.420 3.510 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414967528 334215016 /nfs/dbraw/zinc/21/50/16/334215016.db2.gz QALAANQNPRQVFM-QWHCGFSZSA-N 2 0 300.899 3.844 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414968216 334215194 /nfs/dbraw/zinc/21/51/94/334215194.db2.gz YEZHMGHEMIZFSS-BLLLJJGKSA-N 2 0 304.434 3.642 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967834 334215283 /nfs/dbraw/zinc/21/52/83/334215283.db2.gz HSQGXMOMQCSZMJ-DOMZBBRYSA-N 2 0 314.395 3.787 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000187798116 334273722 /nfs/dbraw/zinc/27/37/22/334273722.db2.gz QNUBYUWMSVHVCR-RTWAWAEBSA-N 2 0 312.501 3.961 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414986572 334228823 /nfs/dbraw/zinc/22/88/23/334228823.db2.gz IZSKANAAYSMGDG-ZNMIVQPWSA-N 2 0 300.368 3.668 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000414996432 334235012 /nfs/dbraw/zinc/23/50/12/334235012.db2.gz OLRIZNSIKSFWDW-NVXWUHKLSA-N 2 0 302.462 3.615 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)F ZINC000415086545 334275340 /nfs/dbraw/zinc/27/53/40/334275340.db2.gz RVLWJMAZPXKXSJ-IPYPFGDCSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000415007250 334249379 /nfs/dbraw/zinc/24/93/79/334249379.db2.gz BCNVBPZKJUZWKT-INIZCTEOSA-N 2 0 322.456 3.633 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000415010654 334256422 /nfs/dbraw/zinc/25/64/22/334256422.db2.gz GOJCKWUDDDMZHO-CHWSQXEVSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Br)ccc1Cl ZINC000415012490 334258201 /nfs/dbraw/zinc/25/82/01/334258201.db2.gz IZSBXIUBRQBPMG-JTQLQIEISA-N 2 0 319.674 3.710 20 0 DHADRP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000415012861 334258210 /nfs/dbraw/zinc/25/82/10/334258210.db2.gz XVIJRAFRWOQMGX-RYQLBKOJSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011997 334258321 /nfs/dbraw/zinc/25/83/21/334258321.db2.gz RSUODJJCVBLNJH-BYCMXARLSA-N 2 0 312.910 3.700 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415018143 334259023 /nfs/dbraw/zinc/25/90/23/334259023.db2.gz BLPQDHPUDUQFER-JOCQHMNTSA-N 2 0 300.368 3.560 20 0 DHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C(C)(C)CCC[NH3+] ZINC000415024136 334259467 /nfs/dbraw/zinc/25/94/67/334259467.db2.gz YAAZJKJCGRBCSZ-UHFFFAOYSA-N 2 0 314.477 3.603 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000415027726 334259910 /nfs/dbraw/zinc/25/99/10/334259910.db2.gz XHUOLVXVTSKOFJ-ZDUSSCGKSA-N 2 0 310.869 3.878 20 0 DHADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc12 ZINC000415029031 334260027 /nfs/dbraw/zinc/26/00/27/334260027.db2.gz ZUGZXOQRDLCBEI-WKILWMFISA-N 2 0 312.457 3.703 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415031853 334260249 /nfs/dbraw/zinc/26/02/49/334260249.db2.gz HISMCCCPBOWZOT-IJLUTSLNSA-N 2 0 301.261 3.641 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415034207 334260514 /nfs/dbraw/zinc/26/05/14/334260514.db2.gz JQLWKYKXGZDNTO-GXSJLCMTSA-N 2 0 306.759 3.576 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415038161 334260809 /nfs/dbraw/zinc/26/08/09/334260809.db2.gz HNQDFIGYUIRGNS-AEFFLSMTSA-N 2 0 304.503 3.763 20 0 DHADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000415041736 334260916 /nfs/dbraw/zinc/26/09/16/334260916.db2.gz LQNRRDRNHHJZIM-LEWJYISDSA-N 2 0 321.468 3.713 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)s2)cc1 ZINC000415041482 334261029 /nfs/dbraw/zinc/26/10/29/334261029.db2.gz PYGFEGQWDQXSQY-GDBMZVCRSA-N 2 0 300.471 3.941 20 0 DHADRP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)CC1CCOCC1 ZINC000415054532 334261828 /nfs/dbraw/zinc/26/18/28/334261828.db2.gz NRROKVUAFBQEKU-APWZRJJASA-N 2 0 304.478 3.509 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000415077112 334268592 /nfs/dbraw/zinc/26/85/92/334268592.db2.gz DVFBDBUZTRRXCF-YDHLFZDLSA-N 2 0 312.404 3.717 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000415076337 334268660 /nfs/dbraw/zinc/26/86/60/334268660.db2.gz AUTRBEMTWSLJPI-CSODHUTKSA-N 2 0 324.468 3.762 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC000415089504 334279746 /nfs/dbraw/zinc/27/97/46/334279746.db2.gz YBFPJGIRIGGUHG-YLJYHZDGSA-N 2 0 324.468 3.743 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415106116 334283045 /nfs/dbraw/zinc/28/30/45/334283045.db2.gz MPNYQMFAJUKLBE-OAHLLOKOSA-N 2 0 300.368 3.888 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415106113 334283198 /nfs/dbraw/zinc/28/31/98/334283198.db2.gz MPNYQMFAJUKLBE-HNNXBMFYSA-N 2 0 300.368 3.888 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)s2)cc1 ZINC000415118414 334284020 /nfs/dbraw/zinc/28/40/20/334284020.db2.gz WNCDETILUACNBS-UHFFFAOYSA-N 2 0 316.470 3.513 20 0 DHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000415134822 334284405 /nfs/dbraw/zinc/28/44/05/334284405.db2.gz WFTIXBDLUVDNIF-NHCUHLMSSA-N 2 0 324.468 3.558 20 0 DHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000415129315 334285341 /nfs/dbraw/zinc/28/53/41/334285341.db2.gz UIOLKIFDMFYYIB-SFTDATJTSA-N 2 0 324.468 3.558 20 0 DHADRP CC(C)c1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415130714 334285542 /nfs/dbraw/zinc/28/55/42/334285542.db2.gz RLIGGYBNTXGWEJ-VQTJNVASSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)CC[N@@H+]1C ZINC000531939364 334298647 /nfs/dbraw/zinc/29/86/47/334298647.db2.gz KAFCZUBWFHKCEZ-HKUYNNGSSA-N 2 0 300.490 3.961 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000531960639 334316834 /nfs/dbraw/zinc/31/68/34/334316834.db2.gz OPRBLQOVUQDSRZ-MJGOQNOKSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc2[nH+]1 ZINC000535152486 334372884 /nfs/dbraw/zinc/37/28/84/334372884.db2.gz FWVLJMWRHWQONW-KRWDZBQOSA-N 2 0 309.457 3.711 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000563681037 334375179 /nfs/dbraw/zinc/37/51/79/334375179.db2.gz AVOROOXUZZYOHN-RTBURBONSA-N 2 0 316.489 3.695 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123704864 334380808 /nfs/dbraw/zinc/38/08/08/334380808.db2.gz QGCXZEMEPZMPFS-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000341700045 334471540 /nfs/dbraw/zinc/47/15/40/334471540.db2.gz SPVPDNHTRLBTHC-IBGZPJMESA-N 2 0 304.453 3.915 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2CCC2(C)C)C[C@@H](C)O1 ZINC000342710141 334567606 /nfs/dbraw/zinc/56/76/06/334567606.db2.gz OHPIUMQPSWUHMT-MDZRGWNJSA-N 2 0 316.489 3.574 20 0 DHADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342822051 334581085 /nfs/dbraw/zinc/58/10/85/334581085.db2.gz FGSCMVQYEWRYIA-HOTGVXAUSA-N 2 0 304.478 3.684 20 0 DHADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000443648403 338458882 /nfs/dbraw/zinc/45/88/82/338458882.db2.gz YSFOCVFVUZMPID-ICSRJNTNSA-N 2 0 320.521 3.556 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417301368 334704188 /nfs/dbraw/zinc/70/41/88/334704188.db2.gz AHYFWCMJZCCMEG-HYVNUMGLSA-N 2 0 306.519 3.950 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425955492 334820538 /nfs/dbraw/zinc/82/05/38/334820538.db2.gz RWSFZPGKJRFOOP-CJNGLKHVSA-N 2 0 300.437 3.664 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(-c2ccncc2)c1 ZINC000343624504 335182480 /nfs/dbraw/zinc/18/24/80/335182480.db2.gz PSYDVNKCDBUHGD-UHFFFAOYSA-N 2 0 309.457 3.666 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1(C)C ZINC000344087996 335216679 /nfs/dbraw/zinc/21/66/79/335216679.db2.gz MULOYEOTEPRANX-RBUKOAKNSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000344202486 335224858 /nfs/dbraw/zinc/22/48/58/335224858.db2.gz ZOPJQQHQIKUKFH-SOLBZPMBSA-N 2 0 310.445 3.634 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344168781 335226907 /nfs/dbraw/zinc/22/69/07/335226907.db2.gz LMJVIRXSNFRJKK-LJQANCHMSA-N 2 0 304.453 3.915 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000366875746 335273338 /nfs/dbraw/zinc/27/33/38/335273338.db2.gz IGTBEKZRUZZYCL-LJQANCHMSA-N 2 0 323.484 3.899 20 0 DHADRP C[C@H]1CCC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000344909180 335284879 /nfs/dbraw/zinc/28/48/79/335284879.db2.gz ZRXRIJVYYKVDLF-HOTGVXAUSA-N 2 0 316.493 3.603 20 0 DHADRP C([C@H]1CCC2(CCCCC2)O1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000190974721 335360589 /nfs/dbraw/zinc/36/05/89/335360589.db2.gz PRDIZCIZJZZFPM-RTBURBONSA-N 2 0 320.521 3.676 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000346169780 335385066 /nfs/dbraw/zinc/38/50/66/335385066.db2.gz JWTMNDMYQLKFKM-KRWDZBQOSA-N 2 0 312.461 3.834 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000346170787 335385121 /nfs/dbraw/zinc/38/51/21/335385121.db2.gz JYFRQXNPALIVLM-SFHVURJKSA-N 2 0 324.453 3.974 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c3ncccc3c2)[C@H](C)C1 ZINC000346221190 335385559 /nfs/dbraw/zinc/38/55/59/335385559.db2.gz OADUYJJTXFHFKQ-APWZRJJASA-N 2 0 311.473 3.705 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000346197871 335389240 /nfs/dbraw/zinc/38/92/40/335389240.db2.gz KDRAYHYXKIQVHC-UHFFFAOYSA-N 2 0 312.461 3.976 20 0 DHADRP CCCOc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000314678127 335649933 /nfs/dbraw/zinc/64/99/33/335649933.db2.gz JZEATAFZTBGZDM-KRWDZBQOSA-N 2 0 304.478 3.687 20 0 DHADRP CSC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC000520462949 335980354 /nfs/dbraw/zinc/98/03/54/335980354.db2.gz IQGCTJDFPIUHAG-STQMWFEESA-N 2 0 324.456 3.525 20 0 DHADRP Cc1ccc(OC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000351473481 336036315 /nfs/dbraw/zinc/03/63/15/336036315.db2.gz VGXHSAVPJXSDRY-GOSISDBHSA-N 2 0 316.489 3.713 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192551537 336116036 /nfs/dbraw/zinc/11/60/36/336116036.db2.gz XMDHKQHAMARXNU-UHFFFAOYSA-N 2 0 306.519 3.584 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000526114200 336178867 /nfs/dbraw/zinc/17/88/67/336178867.db2.gz MXSLFWQWGRJVPN-INIZCTEOSA-N 2 0 306.469 3.981 20 0 DHADRP C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000352050949 336192002 /nfs/dbraw/zinc/19/20/02/336192002.db2.gz WYPNUCKMMGDYCZ-HKUYNNGSSA-N 2 0 304.453 3.723 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000352504187 336222002 /nfs/dbraw/zinc/22/20/02/336222002.db2.gz ODNNELWIHYVKMQ-INIZCTEOSA-N 2 0 303.837 3.592 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000532459432 336248470 /nfs/dbraw/zinc/24/84/70/336248470.db2.gz QRQFVTZRHLTDBQ-ZIFCJYIRSA-N 2 0 310.526 3.539 20 0 DHADRP Cc1nccn1CCC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000125227710 336249585 /nfs/dbraw/zinc/24/95/85/336249585.db2.gz CBFOZTYDTNKJJO-MAUKXSAKSA-N 2 0 315.486 3.760 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000532450888 336250052 /nfs/dbraw/zinc/25/00/52/336250052.db2.gz JNMFITAGHMOPRQ-OXJNMPFZSA-N 2 0 312.457 3.631 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]3CCCN(C)C3)c(C)c2c1 ZINC000532505973 336252749 /nfs/dbraw/zinc/25/27/49/336252749.db2.gz QTWIWDKDEFWJHZ-CABCVRRESA-N 2 0 316.445 3.742 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000526954295 336276453 /nfs/dbraw/zinc/27/64/53/336276453.db2.gz OGIYRADYXDYEGD-WWGRRREGSA-N 2 0 314.395 3.739 20 0 DHADRP Cc1cc(NC[C@@H](c2cccs2)[NH+](C)C)nc(C(C)C)n1 ZINC000301062603 336287867 /nfs/dbraw/zinc/28/78/67/336287867.db2.gz MPUWJOLDIULTGN-ZDUSSCGKSA-N 2 0 304.463 3.685 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000302158345 336351432 /nfs/dbraw/zinc/35/14/32/336351432.db2.gz NVLVYBODPRDGRI-UHFFFAOYSA-N 2 0 323.465 3.927 20 0 DHADRP Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2cc(F)ccc2[nH+]1 ZINC000302703435 336365691 /nfs/dbraw/zinc/36/56/91/336365691.db2.gz BTWDAQMRMBASJW-KDOFPFPSSA-N 2 0 313.420 3.603 20 0 DHADRP CC(C)c1nc(NC[C@@H](C)Cn2ccnc2)cc(C(C)(C)C)n1 ZINC000302776479 336368551 /nfs/dbraw/zinc/36/85/51/336368551.db2.gz FPPLKGBFRZQQIB-CQSZACIVSA-N 2 0 315.465 3.842 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000514603624 336385654 /nfs/dbraw/zinc/38/56/54/336385654.db2.gz SVOIDZDVMDAERV-IBGZPJMESA-N 2 0 300.421 3.641 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000563976847 336389340 /nfs/dbraw/zinc/38/93/40/336389340.db2.gz VVGXATMSFCZBAZ-KURKYZTESA-N 2 0 322.880 3.667 20 0 DHADRP CCSCC[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000355763534 336521468 /nfs/dbraw/zinc/52/14/68/336521468.db2.gz WNYCWMHSEXERIP-UHFFFAOYSA-N 2 0 306.519 3.761 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000356910855 336565747 /nfs/dbraw/zinc/56/57/47/336565747.db2.gz ZCEJBPFZYPQYTM-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1(C)CC1 ZINC000358024563 336606979 /nfs/dbraw/zinc/60/69/79/336606979.db2.gz RBVVXFGNGRTAKB-ZACQAIPSSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)COC2 ZINC000359641873 336681450 /nfs/dbraw/zinc/68/14/50/336681450.db2.gz YYUBUIIYKLQEMD-HNNXBMFYSA-N 2 0 310.441 3.629 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000359863320 336690350 /nfs/dbraw/zinc/69/03/50/336690350.db2.gz UVRGYOIYTPOAHS-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CCCO2 ZINC000360433892 336711542 /nfs/dbraw/zinc/71/15/42/336711542.db2.gz PKYHTUTTYGRPFQ-SJLPKXTDSA-N 2 0 302.462 3.530 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000362467508 336798992 /nfs/dbraw/zinc/79/89/92/336798992.db2.gz KGVUSLBMZFLCTL-UHFFFAOYSA-N 2 0 319.424 3.521 20 0 DHADRP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C ZINC000367999082 336834026 /nfs/dbraw/zinc/83/40/26/336834026.db2.gz SHTFANAXFNJUEX-IEBWSBKVSA-N 2 0 324.553 3.928 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000375589226 337013921 /nfs/dbraw/zinc/01/39/21/337013921.db2.gz AAMXGKLQTYNFBS-QFBILLFUSA-N 2 0 315.505 3.960 20 0 DHADRP CC(C)C1CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000375762305 337018949 /nfs/dbraw/zinc/01/89/49/337018949.db2.gz XXWSGBZQNVUYDU-XBMUEBEBSA-N 2 0 322.537 3.539 20 0 DHADRP C[N@H+](Cc1cc2ccccc2[nH]1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692474 337058508 /nfs/dbraw/zinc/05/85/08/337058508.db2.gz IPORLMACQDOPEY-UHFFFAOYSA-N 2 0 320.440 3.664 20 0 DHADRP C[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)(C)C ZINC000378440657 337072815 /nfs/dbraw/zinc/07/28/15/337072815.db2.gz DAOSDVQJLJSIAY-RDJZCZTQSA-N 2 0 316.489 3.999 20 0 DHADRP CC[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217514792 337079513 /nfs/dbraw/zinc/07/95/13/337079513.db2.gz NDCFVIAZHMDCFT-WFASDCNBSA-N 2 0 311.267 3.571 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000193803225 337080193 /nfs/dbraw/zinc/08/01/93/337080193.db2.gz PZFKAPVTNPOOQY-HNNXBMFYSA-N 2 0 322.518 3.563 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000178047658 337160052 /nfs/dbraw/zinc/16/00/52/337160052.db2.gz CPADJRWAQJJPGS-ROUUACIJSA-N 2 0 318.505 3.966 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000178413231 337164457 /nfs/dbraw/zinc/16/44/57/337164457.db2.gz QZQDSXPVGDKQON-LSDHHAIUSA-N 2 0 317.502 3.864 20 0 DHADRP CCc1noc([C@@H](C)N2CCC(CCC[NH+](CC)CC)CC2)n1 ZINC000182777100 337189715 /nfs/dbraw/zinc/18/97/15/337189715.db2.gz FLQJRAOTXLPDHF-OAHLLOKOSA-N 2 0 322.497 3.527 20 0 DHADRP CC[NH+](CC)CCCC1CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000182776055 337189759 /nfs/dbraw/zinc/18/97/59/337189759.db2.gz CSRDBPQEMCJZQR-UHFFFAOYSA-N 2 0 320.525 3.798 20 0 DHADRP CC[NH+](CC)CCCC1CCN(Cc2nnc(C(C)C)o2)CC1 ZINC000182776695 337189783 /nfs/dbraw/zinc/18/97/83/337189783.db2.gz MGSZXADYRHOCKA-UHFFFAOYSA-N 2 0 322.497 3.527 20 0 DHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000469853693 337195408 /nfs/dbraw/zinc/19/54/08/337195408.db2.gz KONVNAJXMVCMBZ-QWHCGFSZSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CCSCC1 ZINC000187209331 337263904 /nfs/dbraw/zinc/26/39/04/337263904.db2.gz STFBWVWHRSRNIE-ZDUSSCGKSA-N 2 0 310.482 3.509 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000583197090 337265255 /nfs/dbraw/zinc/26/52/55/337265255.db2.gz SSAHCNVQBJAPMF-CQSZACIVSA-N 2 0 322.518 3.800 20 0 DHADRP CC(C)OC1CC([NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000189540179 337280150 /nfs/dbraw/zinc/28/01/50/337280150.db2.gz UAOHKHKYGAEBOU-IDMDMSBLSA-N 2 0 322.518 3.677 20 0 DHADRP CN1CC[C@H]2CC[N@H+](CCc3ccc(C(C)(C)C)cc3)[C@H]2C1 ZINC000583784826 337332738 /nfs/dbraw/zinc/33/27/38/337332738.db2.gz WTPBZLVEPMZEIK-HKUYNNGSSA-N 2 0 300.490 3.553 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000123641650 337400163 /nfs/dbraw/zinc/40/01/63/337400163.db2.gz XUASCDSDGHNOSE-UHFFFAOYSA-N 2 0 319.424 3.521 20 0 DHADRP C[NH2+]C[C@H]1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)C1 ZINC000420182009 337496190 /nfs/dbraw/zinc/49/61/90/337496190.db2.gz DXTMNHTUSQOBNG-CYBMUJFWSA-N 2 0 303.837 3.551 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC([C@H]3CCC[NH2+]3)CC1)CCC2 ZINC000420334185 337499405 /nfs/dbraw/zinc/49/94/05/337499405.db2.gz ITSREQHUQOJBFI-RTBURBONSA-N 2 0 302.437 3.667 20 0 DHADRP Clc1ccccc1OC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420359462 337499746 /nfs/dbraw/zinc/49/97/46/337499746.db2.gz KQQCVFMKXHHVLO-OAHLLOKOSA-N 2 0 322.880 3.573 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2)C[C@H](C)O1 ZINC000069833263 337546113 /nfs/dbraw/zinc/54/61/13/337546113.db2.gz ZVCJBCPREZCNFS-ROUUACIJSA-N 2 0 324.468 3.586 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000161556898 337592718 /nfs/dbraw/zinc/59/27/18/337592718.db2.gz UPIVNVLWBKYQHK-UHFFFAOYSA-N 2 0 324.468 3.752 20 0 DHADRP C[C@]1(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261731300 337609286 /nfs/dbraw/zinc/60/92/86/337609286.db2.gz HGLNDQZODYWOQJ-INIZCTEOSA-N 2 0 310.844 3.600 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704918 337683591 /nfs/dbraw/zinc/68/35/91/337683591.db2.gz QNTWRFKYHIKALA-ZTRFORPCSA-N 2 0 314.473 3.658 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422723246 337684216 /nfs/dbraw/zinc/68/42/16/337684216.db2.gz QOLSCBLYTUAPFS-JTDSTZFVSA-N 2 0 304.478 3.525 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000422719541 337684226 /nfs/dbraw/zinc/68/42/26/337684226.db2.gz YQANPIXCQGYVSH-GDBMZVCRSA-N 2 0 311.473 3.866 20 0 DHADRP C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422762017 337685399 /nfs/dbraw/zinc/68/53/99/337685399.db2.gz NIRYZAMFDVHYLR-IPMKNSEASA-N 2 0 308.510 3.626 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422774248 337686001 /nfs/dbraw/zinc/68/60/01/337686001.db2.gz WGCUBEWWJQVGKF-IPMKNSEASA-N 2 0 318.530 3.739 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000422799036 337687070 /nfs/dbraw/zinc/68/70/70/337687070.db2.gz UTNCZCDKOKTOIT-PQEBFOHHSA-N 2 0 301.478 3.858 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422799255 337687078 /nfs/dbraw/zinc/68/70/78/337687078.db2.gz VXVYXPYYGXHKAW-PCCBWWKXSA-N 2 0 324.468 3.859 20 0 DHADRP [NH3+][C@@H]1C[C@@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)c2ccccc21 ZINC000422808003 337687504 /nfs/dbraw/zinc/68/75/04/337687504.db2.gz PQIFBSDZCOEPEB-NJYVYQBISA-N 2 0 321.468 3.558 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422833197 337688370 /nfs/dbraw/zinc/68/83/70/337688370.db2.gz VXNPCVSILSMKKC-XUVXKRRUSA-N 2 0 316.489 3.874 20 0 DHADRP c1ccc(C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422841292 337688533 /nfs/dbraw/zinc/68/85/33/337688533.db2.gz VNNWCFAQHJXNHV-IZCSPVGOSA-N 2 0 320.480 3.886 20 0 DHADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422839246 337688662 /nfs/dbraw/zinc/68/86/62/337688662.db2.gz QCCDPVJELSIGNG-WJFTUGDTSA-N 2 0 316.514 3.527 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422864551 337689214 /nfs/dbraw/zinc/68/92/14/337689214.db2.gz VFNMXLMKKLVWSS-YLJYHZDGSA-N 2 0 310.485 3.821 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422885206 337690120 /nfs/dbraw/zinc/69/01/20/337690120.db2.gz GJYCRBIXPNCBNV-RDTXWAMCSA-N 2 0 317.864 3.932 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000422890777 337690212 /nfs/dbraw/zinc/69/02/12/337690212.db2.gz JEMMEZSFAFENTH-UQPPLGOBSA-N 2 0 320.477 3.652 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422890592 337690305 /nfs/dbraw/zinc/69/03/05/337690305.db2.gz SMKHZKGGLLRCJF-ICSRJNTNSA-N 2 0 312.457 3.716 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2ccc(C)cc2)cc1 ZINC000422935078 337692272 /nfs/dbraw/zinc/69/22/72/337692272.db2.gz KLQZJAFVJLCOOI-RZQQEMMASA-N 2 0 312.457 3.808 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)CCC[NH3+])c2ccc(C)cc2)cc1 ZINC000422937585 337692370 /nfs/dbraw/zinc/69/23/70/337692370.db2.gz OIFDCKZAJSRIPA-OXQOHEQNSA-N 2 0 312.457 3.810 20 0 DHADRP COc1ccc(C2([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000422939837 337692619 /nfs/dbraw/zinc/69/26/19/337692619.db2.gz SABWPPPWRSGSGC-WBVHZDCISA-N 2 0 302.462 3.585 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000422940471 337692674 /nfs/dbraw/zinc/69/26/74/337692674.db2.gz SULGPWXKYVHKEL-HDMKZQKVSA-N 2 0 316.420 3.661 20 0 DHADRP CCCOc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422993134 337693942 /nfs/dbraw/zinc/69/39/42/337693942.db2.gz SLBLDPCSKOMZIN-VAMGGRTRSA-N 2 0 316.489 3.528 20 0 DHADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OC ZINC000422993281 337693956 /nfs/dbraw/zinc/69/39/56/337693956.db2.gz FFZZQDOVEDYJFQ-HCXYKTFWSA-N 2 0 310.526 3.728 20 0 DHADRP CCCCC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422951519 337694554 /nfs/dbraw/zinc/69/45/54/337694554.db2.gz YVZNTTFJETUOGW-ZCFHBRKKSA-N 2 0 322.537 3.730 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000422952917 337694645 /nfs/dbraw/zinc/69/46/45/337694645.db2.gz CQPYRVHESBYGMM-AWEZNQCLSA-N 2 0 314.404 3.624 20 0 DHADRP C[C@H]([NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21)[C@H]1CC[NH2+]C1 ZINC000422953192 337694690 /nfs/dbraw/zinc/69/46/90/337694690.db2.gz DOCFONJKLSRKGN-KNBMTAEXSA-N 2 0 322.452 3.765 20 0 DHADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H](C)C3C[NH2+]C3)cc2)c1 ZINC000422954940 337694698 /nfs/dbraw/zinc/69/46/98/337694698.db2.gz IPJOTAHHYBCRLA-SJORKVTESA-N 2 0 324.468 3.833 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423028230 337696194 /nfs/dbraw/zinc/69/61/94/337696194.db2.gz SJHGJKVSAHTJNG-PMUMKWKESA-N 2 0 317.864 3.734 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000423036593 337696742 /nfs/dbraw/zinc/69/67/42/337696742.db2.gz ARKVTNQTXHOYFX-KANFNMMFSA-N 2 0 310.526 3.871 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423046588 337697062 /nfs/dbraw/zinc/69/70/62/337697062.db2.gz UCPAMQGEPURTAQ-OBKDMQGPSA-N 2 0 322.537 3.871 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423056224 337697536 /nfs/dbraw/zinc/69/75/36/337697536.db2.gz XRQFAXWVVDAORL-MDNKFWRPSA-N 2 0 316.489 3.807 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000423070030 337698255 /nfs/dbraw/zinc/69/82/55/337698255.db2.gz CBNXBGJBJCVIHG-YLJYHZDGSA-N 2 0 312.457 3.555 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423081298 337698589 /nfs/dbraw/zinc/69/85/89/337698589.db2.gz CQTAJTNJAJDOCH-AWEZNQCLSA-N 2 0 317.408 3.620 20 0 DHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000423093131 337699072 /nfs/dbraw/zinc/69/90/72/337699072.db2.gz FWOUYTIMSLDEQD-YHUYVZNPSA-N 2 0 316.464 3.972 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423105708 337699689 /nfs/dbraw/zinc/69/96/89/337699689.db2.gz ZJSDTNMYZHBOLL-MTEHYEEQSA-N 2 0 316.464 3.972 20 0 DHADRP CCc1nc2cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc2n1C1CC1 ZINC000423117452 337700234 /nfs/dbraw/zinc/70/02/34/337700234.db2.gz VPFCOOQAGSVUTG-AWEZNQCLSA-N 2 0 314.477 3.541 20 0 DHADRP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423115782 337700312 /nfs/dbraw/zinc/70/03/12/337700312.db2.gz YSCAIEXTMBQHRR-DFQSSKMNSA-N 2 0 311.473 3.877 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423125385 337700533 /nfs/dbraw/zinc/70/05/33/337700533.db2.gz HYSXSHHISSLDTR-OCCSQVGLSA-N 2 0 311.420 3.715 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423128328 337700745 /nfs/dbraw/zinc/70/07/45/337700745.db2.gz VRYBLYAREPLQCN-FFGOWVMKSA-N 2 0 316.489 3.807 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423167575 337702177 /nfs/dbraw/zinc/70/21/77/337702177.db2.gz SKVMJNCROUCETO-KCMWZYNZSA-N 2 0 306.881 3.954 20 0 DHADRP [NH3+]CC1CCC([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000423168699 337702239 /nfs/dbraw/zinc/70/22/39/337702239.db2.gz HWVYPUCHPDACLU-UHFFFAOYSA-N 2 0 306.881 3.770 20 0 DHADRP [NH3+]CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423187562 337703066 /nfs/dbraw/zinc/70/30/66/337703066.db2.gz YERPFXHNYLZWAO-ZDUSSCGKSA-N 2 0 321.877 3.779 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc2cc(Br)ccc2o1 ZINC000423222587 337705671 /nfs/dbraw/zinc/70/56/71/337705671.db2.gz BSYJKSXFDVMPRK-VHSXEESVSA-N 2 0 311.223 3.583 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423226642 337705755 /nfs/dbraw/zinc/70/57/55/337705755.db2.gz RORBQKFDPPFCPR-CABZTGNLSA-N 2 0 303.233 3.534 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423253104 337707646 /nfs/dbraw/zinc/70/76/46/337707646.db2.gz VCSXULBOYJSIPK-CVEARBPZSA-N 2 0 311.429 3.524 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423269886 337708479 /nfs/dbraw/zinc/70/84/79/337708479.db2.gz HGDKREYAHDJWLF-DNDYEEKYSA-N 2 0 306.416 3.723 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423277648 337708964 /nfs/dbraw/zinc/70/89/64/337708964.db2.gz QEQVFEQTCKFECA-VXGBXAGGSA-N 2 0 302.434 3.550 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423278745 337709014 /nfs/dbraw/zinc/70/90/14/337709014.db2.gz QMZMNUQOPBHOKX-NUEKZKHPSA-N 2 0 315.486 3.978 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423290833 337710033 /nfs/dbraw/zinc/71/00/33/337710033.db2.gz FPTNREMQGUBERI-PMPSAXMXSA-N 2 0 312.457 3.997 20 0 DHADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](C)C[NH3+])CCC3)cc1 ZINC000423296123 337710705 /nfs/dbraw/zinc/71/07/05/337710705.db2.gz GEURHPMRICMBOB-HIFRSBDPSA-N 2 0 315.486 3.680 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423298232 337710860 /nfs/dbraw/zinc/71/08/60/337710860.db2.gz NSJSTJPQINPIOO-NWDGAFQWSA-N 2 0 308.372 3.687 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423300141 337711042 /nfs/dbraw/zinc/71/10/42/337711042.db2.gz QWPBUZWSWOVEPF-WDEREUQCSA-N 2 0 306.397 3.586 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000423327994 337712067 /nfs/dbraw/zinc/71/20/67/337712067.db2.gz NNOZEOJIBXJBEN-OAHLLOKOSA-N 2 0 311.267 3.545 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423329993 337712295 /nfs/dbraw/zinc/71/22/95/337712295.db2.gz PIIRZCKTPSBPKO-FQEVSTJZSA-N 2 0 305.425 3.653 20 0 DHADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423328846 337712315 /nfs/dbraw/zinc/71/23/15/337712315.db2.gz MGVAITLQFHIURK-AWEZNQCLSA-N 2 0 312.404 3.718 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCCS2 ZINC000423331691 337712436 /nfs/dbraw/zinc/71/24/36/337712436.db2.gz CSNOEIHSXKYSBI-OAHLLOKOSA-N 2 0 308.878 3.776 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423341483 337712936 /nfs/dbraw/zinc/71/29/36/337712936.db2.gz UOXVSCCUGNGOJX-AWEZNQCLSA-N 2 0 319.449 3.655 20 0 DHADRP Fc1ccc(C([NH2+]CC2=CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423342989 337713027 /nfs/dbraw/zinc/71/30/27/337713027.db2.gz LHRICLCNIMHVKE-UHFFFAOYSA-N 2 0 314.379 3.564 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423362643 337714524 /nfs/dbraw/zinc/71/45/24/337714524.db2.gz BJTIYCJHKZRSIJ-KCMWZYNZSA-N 2 0 306.881 3.639 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H]3CCC[C@H]([NH3+])C3)c(C)c2c1 ZINC000423363702 337714473 /nfs/dbraw/zinc/71/44/73/337714473.db2.gz AFCPFKAUKBEUAO-IHRRRGAJSA-N 2 0 302.418 3.670 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423430377 337715875 /nfs/dbraw/zinc/71/58/75/337715875.db2.gz UJKIAFGGNOFDLU-SQOWSMRPSA-N 2 0 316.489 3.542 20 0 DHADRP COCC1(C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC[NH2+]CC1 ZINC000423408541 337716218 /nfs/dbraw/zinc/71/62/18/337716218.db2.gz OVUHAMSRXIZTHQ-IBGZPJMESA-N 2 0 316.489 3.524 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423424268 337716954 /nfs/dbraw/zinc/71/69/54/337716954.db2.gz FPHDWAGOJIOIMA-MWLCHTKSSA-N 2 0 317.296 3.605 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000423425469 337717016 /nfs/dbraw/zinc/71/70/16/337717016.db2.gz GUEILLHRDRLXGB-FZKQIMNGSA-N 2 0 319.399 3.556 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423425760 337717018 /nfs/dbraw/zinc/71/70/18/337717018.db2.gz HCJUMAZSCYNQPJ-GHMZBOCLSA-N 2 0 304.356 3.595 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000423426969 337717068 /nfs/dbraw/zinc/71/70/68/337717068.db2.gz PZVNHOIQIVBJRG-JPLJXNOCSA-N 2 0 316.489 3.509 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Br)cs1 ZINC000423429049 337717179 /nfs/dbraw/zinc/71/71/79/337717179.db2.gz JYEBCDNYEIGLKS-VHSXEESVSA-N 2 0 305.285 3.679 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423433130 337718910 /nfs/dbraw/zinc/71/89/10/337718910.db2.gz WQEPUTRSKMBJLZ-YYIAUSFCSA-N 2 0 304.478 3.542 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000423451142 337720008 /nfs/dbraw/zinc/72/00/08/337720008.db2.gz XXQPRSSPLLTVNL-GQWLDOHISA-N 2 0 321.468 3.787 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423451149 337720087 /nfs/dbraw/zinc/72/00/87/337720087.db2.gz XYIOBJUYGLXRGQ-BYCMXARLSA-N 2 0 307.507 3.614 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])sc1Br ZINC000423461745 337720633 /nfs/dbraw/zinc/72/06/33/337720633.db2.gz SZOCDSMXWLGBBC-UWVGGRQHSA-N 2 0 305.285 3.597 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCCC1 ZINC000423463415 337720684 /nfs/dbraw/zinc/72/06/84/337720684.db2.gz FXNKFWLAFBLRDB-DKSSEZFCSA-N 2 0 304.453 3.687 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])sc1Br ZINC000423461747 337720691 /nfs/dbraw/zinc/72/06/91/337720691.db2.gz SZOCDSMXWLGBBC-VHSXEESVSA-N 2 0 305.285 3.597 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@H]1C ZINC000423467512 337720909 /nfs/dbraw/zinc/72/09/09/337720909.db2.gz JCWYYBPIAVNNPC-UZJLFSMRSA-N 2 0 304.453 3.543 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423474491 337721407 /nfs/dbraw/zinc/72/14/07/337721407.db2.gz HKVNRPZILDSWTH-DGCLKSJQSA-N 2 0 316.367 3.610 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000423475250 337721562 /nfs/dbraw/zinc/72/15/62/337721562.db2.gz ZXUDBSZIYFUTBI-BJJXKVORSA-N 2 0 312.404 3.846 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423490936 337722435 /nfs/dbraw/zinc/72/24/35/337722435.db2.gz YEGHRMATEBFFHU-SJLPKXTDSA-N 2 0 302.462 3.639 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000423491851 337722704 /nfs/dbraw/zinc/72/27/04/337722704.db2.gz KQZJFJVYIDZXNP-UXIGCNINSA-N 2 0 310.894 3.984 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000423495218 337722863 /nfs/dbraw/zinc/72/28/63/337722863.db2.gz UBAJPEBWACVNSA-DVOMOZLQSA-N 2 0 300.471 3.996 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423495493 337722963 /nfs/dbraw/zinc/72/29/63/337722963.db2.gz FPMSQVUZFHWOAY-LMNJBCLMSA-N 2 0 324.468 3.696 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)C1 ZINC000423499172 337723091 /nfs/dbraw/zinc/72/30/91/337723091.db2.gz HNJNFZFPDGYDME-AHRSYUTCSA-N 2 0 312.432 3.827 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423506391 337723679 /nfs/dbraw/zinc/72/36/79/337723679.db2.gz IPZMRMNGMMZKJQ-UXPWSPDFSA-N 2 0 312.457 3.832 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423506392 337723748 /nfs/dbraw/zinc/72/37/48/337723748.db2.gz IPZMRMNGMMZKJQ-VDGAXYAQSA-N 2 0 312.457 3.832 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423512700 337723953 /nfs/dbraw/zinc/72/39/53/337723953.db2.gz QXRNPXMTEQQPQW-KYOSRNDESA-N 2 0 316.367 3.753 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423514328 337724094 /nfs/dbraw/zinc/72/40/94/337724094.db2.gz WHCLQIGJQDTCBY-MOPGFXCFSA-N 2 0 310.441 3.752 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536177 337724891 /nfs/dbraw/zinc/72/48/91/337724891.db2.gz GYDVAXXQBAHVPF-CYBMUJFWSA-N 2 0 312.379 3.536 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423537529 337724974 /nfs/dbraw/zinc/72/49/74/337724974.db2.gz KICTZOVNNOKZMA-INIZCTEOSA-N 2 0 307.441 3.709 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423541598 337725202 /nfs/dbraw/zinc/72/52/02/337725202.db2.gz SIFFJDLOLAYFHM-CQSZACIVSA-N 2 0 313.470 3.771 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423545094 337725294 /nfs/dbraw/zinc/72/52/94/337725294.db2.gz XNPMZFAPIHUSQW-INIZCTEOSA-N 2 0 323.440 3.834 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000423545315 337725300 /nfs/dbraw/zinc/72/53/00/337725300.db2.gz PDUNTDFIPRIJAU-WEFJBSGNSA-N 2 0 324.468 3.887 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423543864 337725318 /nfs/dbraw/zinc/72/53/18/337725318.db2.gz HYVKQPCHPOKTAG-NXEZDXNNSA-N 2 0 309.457 3.523 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423548515 337725416 /nfs/dbraw/zinc/72/54/16/337725416.db2.gz RLLHJGNOJJTIHW-BMFAXAFESA-N 2 0 318.530 3.781 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000423554896 337725496 /nfs/dbraw/zinc/72/54/96/337725496.db2.gz XIHSJLYIJGTDPQ-CYUUQNCZSA-N 2 0 308.466 3.586 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000536832039 337734735 /nfs/dbraw/zinc/73/47/35/337734735.db2.gz ISSPIJASMIRQMF-ABHNRTSZSA-N 2 0 322.537 3.965 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527720545 337758960 /nfs/dbraw/zinc/75/89/60/337758960.db2.gz MZAPDJUHDIXRRH-UHFFFAOYSA-N 2 0 302.796 3.581 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527908090 337770536 /nfs/dbraw/zinc/77/05/36/337770536.db2.gz CTZFYKTWKCCVTB-QWQCLYJRSA-N 2 0 310.844 3.929 20 0 DHADRP C[C@H](CCc1cccn1C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000122597648 337922809 /nfs/dbraw/zinc/92/28/09/337922809.db2.gz PNHXKKDRHIRJES-QGZVFWFLSA-N 2 0 317.521 3.733 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nc(C)sc3c2)C[C@@H]1C ZINC000426416811 338031421 /nfs/dbraw/zinc/03/14/21/338031421.db2.gz MECBIECGQNDHRH-BBRMVZONSA-N 2 0 317.502 3.909 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nc(C)sc3c2)C[C@@H]1C ZINC000426416814 338031478 /nfs/dbraw/zinc/03/14/78/338031478.db2.gz MECBIECGQNDHRH-XJKSGUPXSA-N 2 0 317.502 3.909 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428887565 338064602 /nfs/dbraw/zinc/06/46/02/338064602.db2.gz XYIFGSOAUHTFSB-UHFFFAOYSA-N 2 0 320.424 3.977 20 0 DHADRP COC1(C[C@H](C)[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)CCC1 ZINC000429525175 338082946 /nfs/dbraw/zinc/08/29/46/338082946.db2.gz AKDVQHVGQOVDHK-LNLFQRSKSA-N 2 0 316.489 3.759 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCSCc2ccccc2)CC1 ZINC000429553213 338083712 /nfs/dbraw/zinc/08/37/12/338083712.db2.gz NCUWNHVCWYPYED-GOSISDBHSA-N 2 0 306.519 3.726 20 0 DHADRP Cc1ccc(-c2ccc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000430112952 338097571 /nfs/dbraw/zinc/09/75/71/338097571.db2.gz GFPFMASYBSIYQY-HXUWFJFHSA-N 2 0 310.441 3.783 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000430643285 338110281 /nfs/dbraw/zinc/11/02/81/338110281.db2.gz WXKHMPXSQPNTCE-KRWDZBQOSA-N 2 0 312.457 3.540 20 0 DHADRP Clc1oc2ccccc2c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430927467 338119029 /nfs/dbraw/zinc/11/90/29/338119029.db2.gz QUJDHMBTWYFYRB-UHFFFAOYSA-N 2 0 304.821 3.662 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432252500 338151122 /nfs/dbraw/zinc/15/11/22/338151122.db2.gz YRKWCHCGGFHNCH-UHFFFAOYSA-N 2 0 305.224 3.564 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(C)c1F ZINC000432431557 338156358 /nfs/dbraw/zinc/15/63/58/338156358.db2.gz WSRVIVGNAYDGOD-DLBZAZTESA-N 2 0 322.468 3.594 20 0 DHADRP CCc1ccc([C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000433062665 338179546 /nfs/dbraw/zinc/17/95/46/338179546.db2.gz VAPXICVZGVPWIJ-VQTJNVASSA-N 2 0 300.490 3.913 20 0 DHADRP Fc1cc(CNCc2cccc3nccn32)c(F)cc1Cl ZINC000433184051 338184562 /nfs/dbraw/zinc/18/45/62/338184562.db2.gz WSBDBLRIDFPYBL-UHFFFAOYSA-N 2 0 307.731 3.556 20 0 DHADRP CCN(Cc1nc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435378325 338238197 /nfs/dbraw/zinc/23/81/97/338238197.db2.gz CYMNOEKKRKVONB-INIZCTEOSA-N 2 0 315.486 3.774 20 0 DHADRP COc1ccccc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000435388627 338238670 /nfs/dbraw/zinc/23/86/70/338238670.db2.gz HXJAQDQGDBZWEN-UHFFFAOYSA-N 2 0 310.441 3.533 20 0 DHADRP CC1(C)CC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC(C)(C)[NH2+]1 ZINC000436263390 338264344 /nfs/dbraw/zinc/26/43/44/338264344.db2.gz HHRWOLSXRBMJRC-UHFFFAOYSA-N 2 0 303.425 3.706 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436284992 338265928 /nfs/dbraw/zinc/26/59/28/338265928.db2.gz ZWSYOLJZMRQWJM-VAMGGRTRSA-N 2 0 300.490 3.719 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000436319218 338268969 /nfs/dbraw/zinc/26/89/69/338268969.db2.gz ZSNZWGLLJYCHOZ-QXRTWZOPSA-N 2 0 306.881 3.906 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000437581550 338314521 /nfs/dbraw/zinc/31/45/21/338314521.db2.gz LNTDSLHVOLWBNH-MRXNPFEDSA-N 2 0 306.469 3.983 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000437774528 338320794 /nfs/dbraw/zinc/32/07/94/338320794.db2.gz LKVBFBCHXNCVAP-IRXDYDNUSA-N 2 0 306.469 3.714 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nc(C)ccc3c2)C[C@@H]1C ZINC000438094956 338331130 /nfs/dbraw/zinc/33/11/30/338331130.db2.gz GXTSJIOBDUEGCW-QFBILLFUSA-N 2 0 311.473 3.848 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nc(C)ccc3c2)C[C@H]1C ZINC000438094960 338331182 /nfs/dbraw/zinc/33/11/82/338331182.db2.gz GXTSJIOBDUEGCW-VQIMIIECSA-N 2 0 311.473 3.848 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440571365 338390697 /nfs/dbraw/zinc/39/06/97/338390697.db2.gz YFOLTVXKMQSJKO-RMJJICAUSA-N 2 0 320.521 3.530 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSc2ccc(F)cc2)[C@H](C)C1 ZINC000440698807 338395452 /nfs/dbraw/zinc/39/54/52/338395452.db2.gz WWXYNNTWCOWFEY-PBHICJAKSA-N 2 0 310.482 3.580 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000446754551 338534938 /nfs/dbraw/zinc/53/49/38/338534938.db2.gz XAACAVWRAYWQIO-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446886726 338539579 /nfs/dbraw/zinc/53/95/79/338539579.db2.gz JERFSNVHGYZOGA-KBPBESRZSA-N 2 0 304.400 3.572 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000447575814 338558301 /nfs/dbraw/zinc/55/83/01/338558301.db2.gz ZMKRNDAVZLFNNZ-OAHLLOKOSA-N 2 0 319.518 3.547 20 0 DHADRP COc1cc(C)ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000449032958 338585822 /nfs/dbraw/zinc/58/58/22/338585822.db2.gz YFEHEDUWBTXRSL-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000449086028 338591929 /nfs/dbraw/zinc/59/19/29/338591929.db2.gz BFTKXBKLFZOHRL-HNNXBMFYSA-N 2 0 312.457 3.828 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449170979 338598924 /nfs/dbraw/zinc/59/89/24/338598924.db2.gz JVTVRFCXOOEVNQ-VIHIWDAPSA-N 2 0 308.510 3.719 20 0 DHADRP CC[C@H](CSC)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449207334 338602402 /nfs/dbraw/zinc/60/24/02/338602402.db2.gz QWBYBKPEXYYFJB-FUHWJXTLSA-N 2 0 320.546 3.813 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccncc2F)CC1 ZINC000449230921 338604732 /nfs/dbraw/zinc/60/47/32/338604732.db2.gz BXSWIEYDLZIJTD-UHFFFAOYSA-N 2 0 307.457 3.555 20 0 DHADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000449250043 338606717 /nfs/dbraw/zinc/60/67/17/338606717.db2.gz KRHXTBUROKGDIA-GJYPPUQNSA-N 2 0 301.478 3.712 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)COC1 ZINC000449607046 338640603 /nfs/dbraw/zinc/64/06/03/338640603.db2.gz VGHXAHPWTUIUJG-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP FC1(F)CCCC[C@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000450264820 338674024 /nfs/dbraw/zinc/67/40/24/338674024.db2.gz VKZPMRKPQOEAPV-INIZCTEOSA-N 2 0 300.437 3.620 20 0 DHADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1Cl ZINC000450281850 338675300 /nfs/dbraw/zinc/67/53/00/338675300.db2.gz DZIASIBTJLZYJD-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000194865576 338769996 /nfs/dbraw/zinc/76/99/96/338769996.db2.gz KMILAXKFTISTAS-KRWDZBQOSA-N 2 0 324.468 3.955 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000453075328 338790825 /nfs/dbraw/zinc/79/08/25/338790825.db2.gz HLTKZUZFNWLBKU-OAHLLOKOSA-N 2 0 303.494 3.692 20 0 DHADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)cn1 ZINC000194980368 338809091 /nfs/dbraw/zinc/80/90/91/338809091.db2.gz SIQAAGZVBABKBM-MRXNPFEDSA-N 2 0 314.477 3.596 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000459395657 339026934 /nfs/dbraw/zinc/02/69/34/339026934.db2.gz UPUNRLKEDOULED-FPOVZHCZSA-N 2 0 324.468 3.520 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459424753 339028304 /nfs/dbraw/zinc/02/83/04/339028304.db2.gz JPKFXCFRVZJBKZ-AEFFLSMTSA-N 2 0 301.478 3.855 20 0 DHADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459434228 339028977 /nfs/dbraw/zinc/02/89/77/339028977.db2.gz HKHNJVVHBWITLG-QAPCUYQASA-N 2 0 301.478 3.855 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)CC1 ZINC000459433785 339029003 /nfs/dbraw/zinc/02/90/03/339029003.db2.gz TXJGSOWNMUXFED-HNNXBMFYSA-N 2 0 323.431 3.834 20 0 DHADRP C[C@@H](CC1CCCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459501812 339032947 /nfs/dbraw/zinc/03/29/47/339032947.db2.gz CVEBYKVYZRLBAM-INIZCTEOSA-N 2 0 301.478 3.999 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459513545 339033554 /nfs/dbraw/zinc/03/35/54/339033554.db2.gz RYWOTRQMIDBJDG-CYBMUJFWSA-N 2 0 315.383 3.761 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)ccc12 ZINC000459659652 339041114 /nfs/dbraw/zinc/04/11/14/339041114.db2.gz MSAGZUPTFJRKSK-FUHWJXTLSA-N 2 0 306.413 3.545 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459666332 339041674 /nfs/dbraw/zinc/04/16/74/339041674.db2.gz LUHMEDRMZIJRIG-BCUIYNNISA-N 2 0 308.828 3.551 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000459725152 339044587 /nfs/dbraw/zinc/04/45/87/339044587.db2.gz BAWNYMXPXFEEAU-MXWWQKGMSA-N 2 0 306.881 3.908 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000459727825 339044722 /nfs/dbraw/zinc/04/47/22/339044722.db2.gz HNEPYJPCASUFQP-QGZVFWFLSA-N 2 0 309.457 3.570 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000459734933 339045192 /nfs/dbraw/zinc/04/51/92/339045192.db2.gz OYZBVOXHVNRYBK-GFCCVEGCSA-N 2 0 318.358 3.666 20 0 DHADRP Cc1cc(NC2CCN(c3cc[nH+]cc3)CC2)ccc1C[NH+](C)C ZINC000459776505 339047963 /nfs/dbraw/zinc/04/79/63/339047963.db2.gz VOUVHZHSVJSRED-UHFFFAOYSA-N 2 0 324.472 3.533 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000166538186 339053187 /nfs/dbraw/zinc/05/31/87/339053187.db2.gz NCVLCGAWGDLHMU-AWEZNQCLSA-N 2 0 303.837 3.592 20 0 DHADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)C1(C)C ZINC000462804654 339090193 /nfs/dbraw/zinc/09/01/93/339090193.db2.gz MEHKWHIMRIYEDM-QZTJIDSGSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000463025052 339101061 /nfs/dbraw/zinc/10/10/61/339101061.db2.gz NRLSSDVXMVPAAI-KZNAEPCWSA-N 2 0 310.526 3.536 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000463081076 339105062 /nfs/dbraw/zinc/10/50/62/339105062.db2.gz BFHNCTUHMGPJFA-TYPHKJRUSA-N 2 0 312.501 3.986 20 0 DHADRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311539 339231176 /nfs/dbraw/zinc/23/11/76/339231176.db2.gz SGDUYPNSMUZUNR-AWEZNQCLSA-N 2 0 316.411 3.956 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH+]1CCCC1 ZINC000467311995 339231222 /nfs/dbraw/zinc/23/12/22/339231222.db2.gz YPRLDQPKZAPFDI-AWEZNQCLSA-N 2 0 314.395 3.712 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH+]1CCCC1 ZINC000467311996 339231234 /nfs/dbraw/zinc/23/12/34/339231234.db2.gz YPRLDQPKZAPFDI-CQSZACIVSA-N 2 0 314.395 3.712 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCOC2CCCCC2)[C@@H](C)C1 ZINC000468914356 339274519 /nfs/dbraw/zinc/27/45/19/339274519.db2.gz JJCOTUBRLMHUAL-PKOBYXMFSA-N 2 0 310.526 3.826 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000469843315 339302401 /nfs/dbraw/zinc/30/24/01/339302401.db2.gz LPFOFBINATVKBK-UHFFFAOYSA-N 2 0 306.862 3.992 20 0 DHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000469857219 339302810 /nfs/dbraw/zinc/30/28/10/339302810.db2.gz SLGVESJXSQEIMT-STQMWFEESA-N 2 0 304.434 3.723 20 0 DHADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000470011844 339308381 /nfs/dbraw/zinc/30/83/81/339308381.db2.gz NETJLENQZUCCBC-ZDUSSCGKSA-N 2 0 304.434 3.596 20 0 DHADRP CCCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000470009937 339308438 /nfs/dbraw/zinc/30/84/38/339308438.db2.gz SEMKBSDBKVASEZ-DFNIBXOVSA-N 2 0 316.489 3.970 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000470110956 339311091 /nfs/dbraw/zinc/31/10/91/339311091.db2.gz QOVIFALWQWVPKJ-MLGOLLRUSA-N 2 0 315.288 3.856 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCOc2ccccc2)[C@H](C)C1 ZINC000471220745 339340325 /nfs/dbraw/zinc/34/03/25/339340325.db2.gz PKVWBLRRTSENQU-MJGOQNOKSA-N 2 0 304.478 3.508 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2cccc(Cl)c2)[C@@H](C)C1 ZINC000471228835 339340595 /nfs/dbraw/zinc/34/05/95/339340595.db2.gz XPWRMOLUVSCOHM-MAUKXSAKSA-N 2 0 324.896 3.771 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000472730901 339376700 /nfs/dbraw/zinc/37/67/00/339376700.db2.gz KQQHLHWAEGWYJH-IBGZPJMESA-N 2 0 316.489 3.652 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000474052674 339399388 /nfs/dbraw/zinc/39/93/88/339399388.db2.gz BPTXLAFIQJAIDL-DOXZYTNZSA-N 2 0 316.489 3.880 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000475208085 339441736 /nfs/dbraw/zinc/44/17/36/339441736.db2.gz IKRIWWKCFZBOGP-DLBZAZTESA-N 2 0 318.505 3.899 20 0 DHADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000480711369 339584333 /nfs/dbraw/zinc/58/43/33/339584333.db2.gz AGUFRIOFWIYWIL-OAHLLOKOSA-N 2 0 315.461 3.943 20 0 DHADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000481548857 339606462 /nfs/dbraw/zinc/60/64/62/339606462.db2.gz VZOBOPIKDIPFAA-HXUWFJFHSA-N 2 0 318.505 3.693 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)Cc1ccccc1 ZINC000482215152 339626348 /nfs/dbraw/zinc/62/63/48/339626348.db2.gz TUZCJNOJUULTJP-INIZCTEOSA-N 2 0 314.448 3.856 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000484288147 339683797 /nfs/dbraw/zinc/68/37/97/339683797.db2.gz IADMSXLMGVMPIL-JXFKEZNVSA-N 2 0 318.505 3.573 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000484293261 339684024 /nfs/dbraw/zinc/68/40/24/339684024.db2.gz KDBPKDFIAWRVRD-QFBILLFUSA-N 2 0 306.494 3.817 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000484313109 339684670 /nfs/dbraw/zinc/68/46/70/339684670.db2.gz UBVLKGUJJSCFQR-ZWKOTPCHSA-N 2 0 306.494 3.619 20 0 DHADRP CC[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000484495736 339688010 /nfs/dbraw/zinc/68/80/10/339688010.db2.gz GHCQUYUVWDJQMI-MDZRGWNJSA-N 2 0 300.490 3.921 20 0 DHADRP C(=C\c1ccncc1)\C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000486933708 339738672 /nfs/dbraw/zinc/73/86/72/339738672.db2.gz AIERBAWWNDQGLO-PLNGDYQASA-N 2 0 321.468 3.871 20 0 DHADRP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498824803 340023976 /nfs/dbraw/zinc/02/39/76/340023976.db2.gz FYAYTNPGBOOHFD-FQEVSTJZSA-N 2 0 300.490 3.939 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500122528 340050634 /nfs/dbraw/zinc/05/06/34/340050634.db2.gz IVRVQDKAILCYRG-ZIAGYGMSSA-N 2 0 314.395 3.692 20 0 DHADRP C[N@H+](CC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023653 340072606 /nfs/dbraw/zinc/07/26/06/340072606.db2.gz UHEOBYZUSSCGCO-UHFFFAOYSA-N 2 0 301.478 3.810 20 0 DHADRP C[C@H](C[NH+]1CCC([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501101161 340074373 /nfs/dbraw/zinc/07/43/73/340074373.db2.gz MJLJHSZQOPMVOD-CYBMUJFWSA-N 2 0 314.395 3.835 20 0 DHADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501770910 340088165 /nfs/dbraw/zinc/08/81/65/340088165.db2.gz QXONNGCSAKNPQM-IEBWSBKVSA-N 2 0 310.526 3.636 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000501770556 340088211 /nfs/dbraw/zinc/08/82/11/340088211.db2.gz CAXYITBOLFKFCL-UHFFFAOYSA-N 2 0 318.505 3.565 20 0 DHADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC000501794755 340088991 /nfs/dbraw/zinc/08/89/91/340088991.db2.gz PIRWGXRDCGVCFK-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCCC1 ZINC000502265806 340098161 /nfs/dbraw/zinc/09/81/61/340098161.db2.gz CIAFSYRZKWMERH-OALUTQOASA-N 2 0 322.537 3.826 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000502389236 340101382 /nfs/dbraw/zinc/10/13/82/340101382.db2.gz GPHBHUTUPKLNAP-UHOSZYNNSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCOC)cc1 ZINC000502684206 340110216 /nfs/dbraw/zinc/11/02/16/340110216.db2.gz AKYLGBPHJYEULA-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000504896358 340154959 /nfs/dbraw/zinc/15/49/59/340154959.db2.gz YGUCFBOXMAHBLV-VHBXLISGSA-N 2 0 300.490 3.817 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)ccc1F ZINC000504899839 340155354 /nfs/dbraw/zinc/15/53/54/340155354.db2.gz NFXHIRNIVVHHPU-MRXNPFEDSA-N 2 0 322.468 3.997 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)ccc1F ZINC000504929439 340156720 /nfs/dbraw/zinc/15/67/20/340156720.db2.gz IUISRIICCPZNHR-SUMWQHHRSA-N 2 0 310.457 3.851 20 0 DHADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc(C)c1O ZINC000506336103 340192574 /nfs/dbraw/zinc/19/25/74/340192574.db2.gz BXWJPRMMRLIZBG-UHFFFAOYSA-N 2 0 324.468 3.895 20 0 DHADRP COc1cccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506595765 340197360 /nfs/dbraw/zinc/19/73/60/340197360.db2.gz RCKMGOQSRPARKO-PKOBYXMFSA-N 2 0 316.489 3.782 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000506885012 340203286 /nfs/dbraw/zinc/20/32/86/340203286.db2.gz OELPWQUKCLNINN-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP CCC[C@@H](C)[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000507000976 340205140 /nfs/dbraw/zinc/20/51/40/340205140.db2.gz GTXYPMBMFADAKX-QGZVFWFLSA-N 2 0 317.521 3.837 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507397663 340218477 /nfs/dbraw/zinc/21/84/77/340218477.db2.gz GLTIVRACGBMRPL-SFHVURJKSA-N 2 0 306.469 3.714 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507428450 340219239 /nfs/dbraw/zinc/21/92/39/340219239.db2.gz KNBSNNVBYWKCQY-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000507629293 340226840 /nfs/dbraw/zinc/22/68/40/340226840.db2.gz ZYKBAMCNHMBUJH-RTBURBONSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509369020 340267468 /nfs/dbraw/zinc/26/74/68/340267468.db2.gz ACSACNSRNMYJGB-QXAKKESOSA-N 2 0 304.453 3.721 20 0 DHADRP CC[C@H](C)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000509401932 340268381 /nfs/dbraw/zinc/26/83/81/340268381.db2.gz VAYZLNPZVQFYCX-KRWDZBQOSA-N 2 0 317.521 3.695 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000510013319 340285435 /nfs/dbraw/zinc/28/54/35/340285435.db2.gz JFEACBWZFKVEIO-WQJNHMDYSA-N 2 0 316.489 3.558 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1 ZINC000510207297 340292473 /nfs/dbraw/zinc/29/24/73/340292473.db2.gz DNZOKZHVKMLBEB-ARJAWSKDSA-N 2 0 316.395 3.829 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000510651777 340305116 /nfs/dbraw/zinc/30/51/16/340305116.db2.gz NURMGCBKJJTKLW-KGLIPLIRSA-N 2 0 316.411 3.956 20 0 DHADRP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729243 340308410 /nfs/dbraw/zinc/30/84/10/340308410.db2.gz CRKTXPAHHHITOY-HBUWYVDXSA-N 2 0 310.432 3.604 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+](C)C ZINC000510747611 340309360 /nfs/dbraw/zinc/30/93/60/340309360.db2.gz GMNJASMTIWUDHX-CQSZACIVSA-N 2 0 316.411 3.958 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC1CC[NH+](C)CC1 ZINC000510750721 340309568 /nfs/dbraw/zinc/30/95/68/340309568.db2.gz HCSWXGLTOSLNOI-AWEZNQCLSA-N 2 0 310.432 3.607 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510753222 340309784 /nfs/dbraw/zinc/30/97/84/340309784.db2.gz QHJQUKAMHNOBOQ-CVEARBPZSA-N 2 0 324.459 3.996 20 0 DHADRP Clc1ccccc1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303218054 340313332 /nfs/dbraw/zinc/31/33/32/340313332.db2.gz UKAOISPGJNWUNC-UHFFFAOYSA-N 2 0 306.881 3.690 20 0 DHADRP Fc1cccc(Cl)c1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303221671 340313951 /nfs/dbraw/zinc/31/39/51/340313951.db2.gz VKKXKRHKGUMEDB-UHFFFAOYSA-N 2 0 324.871 3.829 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000512053012 340346919 /nfs/dbraw/zinc/34/69/19/340346919.db2.gz PHLHVFKIEOKYBV-ONEGZZNKSA-N 2 0 308.416 3.688 20 0 DHADRP COc1ccsc1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512194954 340351936 /nfs/dbraw/zinc/35/19/36/340351936.db2.gz MKQJQIOPQOCDND-CVEARBPZSA-N 2 0 322.518 3.843 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000512963144 340385771 /nfs/dbraw/zinc/38/57/71/340385771.db2.gz AFZWKIPYFKUOTN-HKUYNNGSSA-N 2 0 322.537 3.826 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000513224864 340398135 /nfs/dbraw/zinc/39/81/35/340398135.db2.gz WOLBGBJITFLHNR-HKUYNNGSSA-N 2 0 324.553 3.950 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513960118 340437433 /nfs/dbraw/zinc/43/74/33/340437433.db2.gz AKPBXJLTYXWNLP-INIZCTEOSA-N 2 0 302.453 3.866 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000517567800 340472420 /nfs/dbraw/zinc/47/24/20/340472420.db2.gz SDGBXXBJTTUJHW-HOTGVXAUSA-N 2 0 312.457 3.886 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC(F)(F)C1 ZINC000529534792 340760349 /nfs/dbraw/zinc/76/03/49/340760349.db2.gz PZORXTFTMGTCRO-CQSZACIVSA-N 2 0 308.416 3.806 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCOC1 ZINC000125062431 340802172 /nfs/dbraw/zinc/80/21/72/340802172.db2.gz HMSATTPHVTVCCH-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP CC1(C)CC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC(C)(C)[NH2+]1 ZINC000126466187 340827266 /nfs/dbraw/zinc/82/72/66/340827266.db2.gz IJPHUEQLNGYLJW-HNNXBMFYSA-N 2 0 306.881 3.706 20 0 DHADRP COc1ccc2oc(C[NH2+]C3CCC(C[NH+](C)C)CC3)cc2c1 ZINC000127831620 340856761 /nfs/dbraw/zinc/85/67/61/340856761.db2.gz BMXMZHQVAVMLLI-UHFFFAOYSA-N 2 0 316.445 3.651 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000540191782 340922549 /nfs/dbraw/zinc/92/25/49/340922549.db2.gz WUHOLQUJGSMYHE-SFHVURJKSA-N 2 0 317.521 3.613 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069381312 340956893 /nfs/dbraw/zinc/95/68/93/340956893.db2.gz JHKGCOVKEFJMOA-ZFWWWQNUSA-N 2 0 306.416 3.962 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000542277849 341003210 /nfs/dbraw/zinc/00/32/10/341003210.db2.gz AFTJUPMMVMVLEC-KDOFPFPSSA-N 2 0 306.881 3.991 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2cccnc12 ZINC000542466700 341008370 /nfs/dbraw/zinc/00/83/70/341008370.db2.gz QUJQEOTYQBKRFF-SFHVURJKSA-N 2 0 323.484 3.851 20 0 DHADRP c1c(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)nc2n1CCCC2 ZINC000130471848 341022590 /nfs/dbraw/zinc/02/25/90/341022590.db2.gz OLQWILUNNQEFQH-ZWKOTPCHSA-N 2 0 309.457 3.688 20 0 DHADRP c1c(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)nc2n1CCCC2 ZINC000130471597 341022643 /nfs/dbraw/zinc/02/26/43/341022643.db2.gz OLQWILUNNQEFQH-QZTJIDSGSA-N 2 0 309.457 3.688 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000544021517 341066945 /nfs/dbraw/zinc/06/69/45/341066945.db2.gz XBDSHNKRLSLWDH-MJGOQNOKSA-N 2 0 318.480 3.955 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000544021515 341066954 /nfs/dbraw/zinc/06/69/54/341066954.db2.gz XBDSHNKRLSLWDH-HKUYNNGSSA-N 2 0 318.480 3.955 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000545273412 341118484 /nfs/dbraw/zinc/11/84/84/341118484.db2.gz YCTNQZITVVXPJM-AWEZNQCLSA-N 2 0 304.503 3.934 20 0 DHADRP FC(F)Oc1ccccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835847 341185299 /nfs/dbraw/zinc/18/52/99/341185299.db2.gz FVUCKXITUQUHRN-HNNXBMFYSA-N 2 0 324.415 3.596 20 0 DHADRP Cc1ccc2[nH+]ccc(NC[C@H](c3ccsc3)[NH+](C)C)c2c1 ZINC000546898975 341186116 /nfs/dbraw/zinc/18/61/16/341186116.db2.gz OLIBGYDNLLYEFS-GOSISDBHSA-N 2 0 311.454 3.741 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000237372754 341212660 /nfs/dbraw/zinc/21/26/60/341212660.db2.gz HLFYRDYLZCXTOF-HNNXBMFYSA-N 2 0 300.421 3.608 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549839914 341304735 /nfs/dbraw/zinc/30/47/35/341304735.db2.gz CVKYIBGAGGQLPO-KBXCAEBGSA-N 2 0 324.415 3.767 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000550605940 341319227 /nfs/dbraw/zinc/31/92/27/341319227.db2.gz IGZVVHKTLDBWIZ-SFHVURJKSA-N 2 0 306.881 3.737 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000550623022 341319883 /nfs/dbraw/zinc/31/98/83/341319883.db2.gz RCEFZNJWAVVFIK-OAHLLOKOSA-N 2 0 318.436 3.598 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000550855350 341324552 /nfs/dbraw/zinc/32/45/52/341324552.db2.gz DFAMVMATFCZVPJ-BMFZPTHFSA-N 2 0 314.395 3.652 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000550882225 341325360 /nfs/dbraw/zinc/32/53/60/341325360.db2.gz KTTJQIQXZRULIJ-IBGZPJMESA-N 2 0 316.489 3.928 20 0 DHADRP COC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000550881878 341325387 /nfs/dbraw/zinc/32/53/87/341325387.db2.gz FKOPRDQMTRLPQI-GOSISDBHSA-N 2 0 324.896 3.883 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000551005690 341328994 /nfs/dbraw/zinc/32/89/94/341328994.db2.gz OAIYKKOGDZOGET-FQEVSTJZSA-N 2 0 324.468 3.620 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000551163854 341332850 /nfs/dbraw/zinc/33/28/50/341332850.db2.gz GNDRRWGNIZRYQT-SFHVURJKSA-N 2 0 320.908 3.983 20 0 DHADRP CCC1CC([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000551787699 341351490 /nfs/dbraw/zinc/35/14/90/341351490.db2.gz KXWOYEUSUJRGSN-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCC1(C)C ZINC000551789741 341351739 /nfs/dbraw/zinc/35/17/39/341351739.db2.gz SFFRXNYYDXKQPR-NUJGCVRESA-N 2 0 300.490 3.921 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000261550881 341352266 /nfs/dbraw/zinc/35/22/66/341352266.db2.gz PUNWGIXWRHPJCA-RTBURBONSA-N 2 0 310.441 3.625 20 0 DHADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246787109 341357058 /nfs/dbraw/zinc/35/70/58/341357058.db2.gz MDFYESNVJFSNIO-ALKREAHSSA-N 2 0 302.437 3.835 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000247133649 341361274 /nfs/dbraw/zinc/36/12/74/341361274.db2.gz QLUCWJXGDAVNIN-SOUVJXGZSA-N 2 0 310.869 3.570 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000247302065 341363175 /nfs/dbraw/zinc/36/31/75/341363175.db2.gz IMFTWOHPGSRVNI-SCTDSRPQSA-N 2 0 310.526 3.682 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552033103 341363306 /nfs/dbraw/zinc/36/33/06/341363306.db2.gz MNFMMWYTMIPICJ-CWRNSKLLSA-N 2 0 313.272 3.956 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSc2ccccc2F)[C@@H](C)C1 ZINC000247326847 341363405 /nfs/dbraw/zinc/36/34/05/341363405.db2.gz YDYPEVPPQLJOGE-GOEBONIOSA-N 2 0 310.482 3.580 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000248060416 341372916 /nfs/dbraw/zinc/37/29/16/341372916.db2.gz YICWZMHQEYDVGQ-BXWFABGCSA-N 2 0 322.468 3.613 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](CC)C[C@H]3C)c[nH]c21 ZINC000248147797 341374038 /nfs/dbraw/zinc/37/40/38/341374038.db2.gz QKATVVHSSQTQQE-BEFAXECRSA-N 2 0 313.489 3.593 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000564388630 341375888 /nfs/dbraw/zinc/37/58/88/341375888.db2.gz BJBHQJJXOAKZJM-IQNGYNMSSA-N 2 0 322.537 3.968 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@@H]2CCC[C@@H]21 ZINC000552275038 341383190 /nfs/dbraw/zinc/38/31/90/341383190.db2.gz IXKSXGSXZBGSEH-WBAXXEDZSA-N 2 0 318.892 3.834 20 0 DHADRP CCCCOc1ccccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248730754 341385385 /nfs/dbraw/zinc/38/53/85/341385385.db2.gz OKNQPTUNXYGBGT-WMZOPIPTSA-N 2 0 304.478 3.780 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552357730 341388812 /nfs/dbraw/zinc/38/88/12/341388812.db2.gz OJELFNFEBHNAMF-OAQYLSRUSA-N 2 0 324.468 3.766 20 0 DHADRP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249082763 341393397 /nfs/dbraw/zinc/39/33/97/341393397.db2.gz HUJDSJOGAXURGY-MJGOQNOKSA-N 2 0 310.441 3.769 20 0 DHADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215648 341402765 /nfs/dbraw/zinc/40/27/65/341402765.db2.gz CIQNGTJFRDCJMM-KKSFZXQISA-N 2 0 321.468 3.821 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CCCC1 ZINC000091333276 341424869 /nfs/dbraw/zinc/42/48/69/341424869.db2.gz YJRGCRJPCGHAPE-HXUWFJFHSA-N 2 0 316.489 3.858 20 0 DHADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000554347054 341450577 /nfs/dbraw/zinc/45/05/77/341450577.db2.gz GCFCJDDIHHAXTK-QZTJIDSGSA-N 2 0 301.478 3.712 20 0 DHADRP CC[NH+](CC)Cc1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000261766006 341506132 /nfs/dbraw/zinc/50/61/32/341506132.db2.gz WISUJBSOZIQLTA-SFTDATJTSA-N 2 0 323.484 3.763 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CCCO2 ZINC000564988294 341514380 /nfs/dbraw/zinc/51/43/80/341514380.db2.gz ASJGTWAQOWWCDK-IBGZPJMESA-N 2 0 310.441 3.766 20 0 DHADRP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088372 341547335 /nfs/dbraw/zinc/54/73/35/341547335.db2.gz YGUYRGMYMAXWPU-INIZCTEOSA-N 2 0 300.471 3.868 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccc(C)cc2)cc1 ZINC000566483525 341559603 /nfs/dbraw/zinc/55/96/03/341559603.db2.gz VCKDONJVRWWVQU-SVFBPWRDSA-N 2 0 324.468 3.953 20 0 DHADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C)c1O ZINC000566705103 341565695 /nfs/dbraw/zinc/56/56/95/341565695.db2.gz DZTQVIQDJMVDES-HZPDHXFCSA-N 2 0 318.505 3.857 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000266866070 341588741 /nfs/dbraw/zinc/58/87/41/341588741.db2.gz MCLVHJZWLBSXNQ-HZPDHXFCSA-N 2 0 322.493 3.865 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000568008318 341645270 /nfs/dbraw/zinc/64/52/70/341645270.db2.gz VALQUYPZOHNXEE-MXQNXNAASA-N 2 0 301.478 3.714 20 0 DHADRP CCC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccn1 ZINC000159147682 341668799 /nfs/dbraw/zinc/66/87/99/341668799.db2.gz ARJUPIQZIPMNIN-SFHVURJKSA-N 2 0 315.436 3.913 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C[C@H](C)O1 ZINC000580521176 341791260 /nfs/dbraw/zinc/79/12/60/341791260.db2.gz FSYWPLBNTYURLL-QLPKVWCKSA-N 2 0 322.518 3.506 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C[NH+]1CCCC1 ZINC000337277415 519270309 /nfs/dbraw/zinc/27/03/09/519270309.db2.gz FRMJSVUZZGJCHK-MJGOQNOKSA-N 2 0 315.505 3.819 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337336590 519677973 /nfs/dbraw/zinc/67/79/73/519677973.db2.gz MGANYWAZRPXZBN-GGPKGHCWSA-N 2 0 315.505 3.818 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000337340169 519771159 /nfs/dbraw/zinc/77/11/59/519771159.db2.gz PDSCZWPOIPJOMF-QGZVFWFLSA-N 2 0 304.478 3.576 20 0 DHADRP CCC1(C[NH2+][C@@H](C)CCOC)CC[NH+](Cc2ccccc2)CC1 ZINC000338234061 519842937 /nfs/dbraw/zinc/84/29/37/519842937.db2.gz VKVDLCUPSGMONQ-SFHVURJKSA-N 2 0 318.505 3.693 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337330084 519843119 /nfs/dbraw/zinc/84/31/19/519843119.db2.gz GEGPJQGSKOHWEY-AZUAARDMSA-N 2 0 315.505 3.819 20 0 DHADRP CC[NH+](CC)Cc1ccc(NCc2c[nH+]ccc2N(C)C)cc1 ZINC000190384858 520752265 /nfs/dbraw/zinc/75/22/65/520752265.db2.gz JZNZLBRDTWXDRF-UHFFFAOYSA-N 2 0 312.461 3.602 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)c1cnn(C)c1 ZINC000163560605 522874666 /nfs/dbraw/zinc/87/46/66/522874666.db2.gz VVFFXQLQHNQWHM-LJQANCHMSA-N 2 0 314.477 3.503 20 0 DHADRP COCC1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000337252336 522898446 /nfs/dbraw/zinc/89/84/46/522898446.db2.gz LCFQBLMSJFUTHP-UHFFFAOYSA-N 2 0 318.505 3.551 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000364897127 523350507 /nfs/dbraw/zinc/35/05/07/523350507.db2.gz RVMJQVZHTJLHSO-UXHICEINSA-N 2 0 316.489 3.542 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337265180 524048284 /nfs/dbraw/zinc/04/82/84/524048284.db2.gz TYDJUFNFQXNPCU-LNXHZJMOSA-N 2 0 315.505 3.818 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000191000912 524203451 /nfs/dbraw/zinc/20/34/51/524203451.db2.gz PODOOIRZNZTELM-DOMZBBRYSA-N 2 0 300.368 3.586 20 0 DHADRP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000337316709 524756541 /nfs/dbraw/zinc/75/65/41/524756541.db2.gz KSGZQGMTYNLAIN-LVCYWYKZSA-N 2 0 323.484 3.513 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000156752077 525168237 /nfs/dbraw/zinc/16/82/37/525168237.db2.gz YUEDWAKIWWULOX-JKSUJKDBSA-N 2 0 304.478 3.650 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccn1 ZINC000158890313 525325367 /nfs/dbraw/zinc/32/53/67/525325367.db2.gz QZGZRDYVUKQQNQ-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000173307200 525455605 /nfs/dbraw/zinc/45/56/05/525455605.db2.gz BAVZIURIOBJZMZ-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000188776622 525644625 /nfs/dbraw/zinc/64/46/25/525644625.db2.gz QXIBAZLNUDYPTO-DAXOMENPSA-N 2 0 312.379 3.983 20 0 DHADRP Fc1cc2cccnc2c(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000339499750 526311460 /nfs/dbraw/zinc/31/14/60/526311460.db2.gz SLJQPMZPHCSHCB-UHFFFAOYSA-N 2 0 315.436 3.730 20 0 DHADRP CCS[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297634772 535707755 /nfs/dbraw/zinc/70/77/55/535707755.db2.gz MFCSNJRKTKJOTG-QZTJIDSGSA-N 2 0 319.518 3.704 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000340200228 536011607 /nfs/dbraw/zinc/01/16/07/536011607.db2.gz XZTKXNGSHJPPLZ-UHFFFAOYSA-N 2 0 323.484 3.507 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1C ZINC000273344130 536623024 /nfs/dbraw/zinc/62/30/24/536623024.db2.gz LRQGXLGFMDZKGD-INIZCTEOSA-N 2 0 304.478 3.835 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC[NH+](C)CC1 ZINC000517787590 1013075146 /nfs/dbraw/zinc/07/51/46/1013075146.db2.gz XCVJZTXHLXNDTB-MRXNPFEDSA-N 2 0 324.921 3.744 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(OC)c2F)c1 ZINC000192679692 1013132685 /nfs/dbraw/zinc/13/26/85/1013132685.db2.gz UAPKXMQIPBKIBJ-UHFFFAOYSA-N 2 0 316.420 3.576 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2cc(Cl)ccc2Cl)CC1 ZINC001168290433 1032065084 /nfs/dbraw/zinc/06/50/84/1032065084.db2.gz MXYZERVTLJGWHU-UHFFFAOYSA-N 2 0 315.288 3.998 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCCOc2cccc(Cl)c2)CC1 ZINC001168294940 1032066166 /nfs/dbraw/zinc/06/61/66/1032066166.db2.gz JAJKKWXMYWGFOI-UHFFFAOYSA-N 2 0 310.869 3.571 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1Cc2ccccc2C1 ZINC001209322543 1013162696 /nfs/dbraw/zinc/16/26/96/1013162696.db2.gz MVAFEIRDYXDCNV-SFTDATJTSA-N 2 0 312.501 3.740 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000537525671 1032068480 /nfs/dbraw/zinc/06/84/80/1032068480.db2.gz WIVQZDHDOPVLCF-UKRRQHHQSA-N 2 0 314.477 3.623 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037649120 1013207420 /nfs/dbraw/zinc/20/74/20/1013207420.db2.gz PLEPICBSSOILGR-CHWSQXEVSA-N 2 0 323.278 3.584 20 0 DHADRP Clc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964497 1013216250 /nfs/dbraw/zinc/21/62/50/1013216250.db2.gz RHQPBJKTJZYDBR-YQQQUEKLSA-N 2 0 318.892 3.878 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000519399589 1013316829 /nfs/dbraw/zinc/31/68/29/1013316829.db2.gz VNYQPHXGCXWIAD-BHYGNILZSA-N 2 0 308.441 3.558 20 0 DHADRP Fc1ccc(C([NH2+]CC2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000578738391 1013394120 /nfs/dbraw/zinc/39/41/20/1013394120.db2.gz PORBWTJHUJFBTL-UHFFFAOYSA-N 2 0 316.395 3.643 20 0 DHADRP FC1(F)CCC2(C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975405 1013433215 /nfs/dbraw/zinc/43/32/15/1013433215.db2.gz OOTKSZXHBYLSQM-NPYXIHBLSA-N 2 0 324.459 3.949 20 0 DHADRP CC1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000236827191 1013440884 /nfs/dbraw/zinc/44/08/84/1013440884.db2.gz TYBGBUNXCKKMLR-SYYJFZTOSA-N 2 0 300.490 3.719 20 0 DHADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CCCC1 ZINC001167256307 1013452386 /nfs/dbraw/zinc/45/23/86/1013452386.db2.gz VWDCBDNDQDVNHE-UYAOXDASSA-N 2 0 322.537 3.636 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000608061491 1013478682 /nfs/dbraw/zinc/47/86/82/1013478682.db2.gz WEEBHWAIUKRIOR-APWZRJJASA-N 2 0 324.468 3.935 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000655700926 1013648139 /nfs/dbraw/zinc/64/81/39/1013648139.db2.gz RBQUFYVSYPUUGR-QFBILLFUSA-N 2 0 318.530 3.772 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000188169162 1013649222 /nfs/dbraw/zinc/64/92/22/1013649222.db2.gz YBHWQOMSPLWBTG-UXHICEINSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@H](CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CC(C)(C)C ZINC000655757777 1013693657 /nfs/dbraw/zinc/69/36/57/1013693657.db2.gz LGWCRLJRTSRWJG-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2)n1 ZINC000655803842 1013728275 /nfs/dbraw/zinc/72/82/75/1013728275.db2.gz DZLAUDUQUZTMSH-FMKPAKJESA-N 2 0 315.486 3.801 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000655806186 1013727629 /nfs/dbraw/zinc/72/76/29/1013727629.db2.gz QSPVOTMEWHCFDQ-JRPNMDOOSA-N 2 0 313.272 3.911 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000655804112 1013727652 /nfs/dbraw/zinc/72/76/52/1013727652.db2.gz PUBMEROMNAAJEN-MAEOIBBWSA-N 3 0 323.569 3.595 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000655804101 1013727713 /nfs/dbraw/zinc/72/77/13/1013727713.db2.gz PLNAZNZKSYKTRG-FPAYPSAMSA-N 2 0 320.908 3.981 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804323 1013727834 /nfs/dbraw/zinc/72/78/34/1013727834.db2.gz UTULFERGUNGNLR-DUVNUKRYSA-N 2 0 314.395 3.566 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1C(F)(F)F ZINC000655807761 1013729677 /nfs/dbraw/zinc/72/96/77/1013729677.db2.gz USRVEMDXPHOFLA-RWMBFGLXSA-N 2 0 300.368 3.696 20 0 DHADRP CCc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000441400176 1013733648 /nfs/dbraw/zinc/73/36/48/1013733648.db2.gz WFOHEIGLZKJBII-PZJWPPBQSA-N 2 0 312.501 3.740 20 0 DHADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441397490 1013734173 /nfs/dbraw/zinc/73/41/73/1013734173.db2.gz WRKRSRVYEOJGBC-JYBIWHBTSA-N 2 0 320.521 3.530 20 0 DHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000655826551 1013745994 /nfs/dbraw/zinc/74/59/94/1013745994.db2.gz ILENSMDZLUKYBI-FZNQNYSPSA-N 2 0 316.420 3.824 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000121535107 1013757490 /nfs/dbraw/zinc/75/74/90/1013757490.db2.gz GDVJXWHZRRDDKX-OXQOHEQNSA-N 2 0 311.473 3.747 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000655849833 1013777811 /nfs/dbraw/zinc/77/78/11/1013777811.db2.gz ZCHDVBGXSOTJGC-JLJPHGGASA-N 2 0 315.486 3.964 20 0 DHADRP c1csc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167994707 1013779010 /nfs/dbraw/zinc/77/90/10/1013779010.db2.gz LREFCJYUSDKONW-FCLJQHQZSA-N 2 0 317.502 3.685 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000895034137 1013779730 /nfs/dbraw/zinc/77/97/30/1013779730.db2.gz OLFOSFLLVJWNTM-UHFFFAOYSA-N 2 0 304.459 3.569 20 0 DHADRP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978272 1013787270 /nfs/dbraw/zinc/78/72/70/1013787270.db2.gz PFJCDUBHZGRCOL-ILXRZTDVSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183614 1013806609 /nfs/dbraw/zinc/80/66/09/1013806609.db2.gz UAIJVJQOSGWTQP-LBPRGKRZSA-N 2 0 300.368 3.827 20 0 DHADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340480741 1013865040 /nfs/dbraw/zinc/86/50/40/1013865040.db2.gz UUOWHRIHLPJSLH-SFHVURJKSA-N 2 0 302.462 3.756 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423369557 1021188150 /nfs/dbraw/zinc/18/81/50/1021188150.db2.gz FDTWQUIKYWXKLR-ILXRZTDVSA-N 2 0 311.267 3.760 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000340524487 1013916996 /nfs/dbraw/zinc/91/69/96/1013916996.db2.gz IGAAYGOQNNPGPL-OXQOHEQNSA-N 2 0 316.489 3.727 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312626477 1013939171 /nfs/dbraw/zinc/93/91/71/1013939171.db2.gz OXFKUJFVWDJUNZ-UHFFFAOYSA-N 2 0 307.290 3.876 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000122323750 1013964603 /nfs/dbraw/zinc/96/46/03/1013964603.db2.gz ZAADYTNDQSGKCG-RHSMWYFYSA-N 2 0 322.880 3.794 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683765466 1013966662 /nfs/dbraw/zinc/96/66/62/1013966662.db2.gz PTMBSZWNJSFNFK-KRWDZBQOSA-N 2 0 311.473 3.979 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2cnccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000683774783 1013984678 /nfs/dbraw/zinc/98/46/78/1013984678.db2.gz MJDLNHYFTFZHNQ-OXQOHEQNSA-N 2 0 323.484 3.977 20 0 DHADRP COCCC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000656199189 1014105601 /nfs/dbraw/zinc/10/56/01/1014105601.db2.gz WUBVHQRCLDXLCK-NXHRZFHOSA-N 2 0 324.896 3.710 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000656200616 1014105880 /nfs/dbraw/zinc/10/58/80/1014105880.db2.gz BGXAAWZWVCIGRP-NWDGAFQWSA-N 2 0 311.420 3.713 20 0 DHADRP COCCC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000656199187 1014105963 /nfs/dbraw/zinc/10/59/63/1014105963.db2.gz WUBVHQRCLDXLCK-KBAYOESNSA-N 2 0 324.896 3.710 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000119080399 1014113199 /nfs/dbraw/zinc/11/31/99/1014113199.db2.gz XMVNOPFEGXQVOY-SFHVURJKSA-N 2 0 305.510 3.744 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000129697462 1014115342 /nfs/dbraw/zinc/11/53/42/1014115342.db2.gz PSCYJMDOYGMBQZ-CQSZACIVSA-N 2 0 308.897 3.938 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754462181 1014124702 /nfs/dbraw/zinc/12/47/02/1014124702.db2.gz ATOOHYMBQVFDPM-CRAIPNDOSA-N 2 0 304.453 3.899 20 0 DHADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000580475395 1014157993 /nfs/dbraw/zinc/15/79/93/1014157993.db2.gz SXHUYWZMDCOONU-RTBURBONSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000926113315 1014226385 /nfs/dbraw/zinc/22/63/85/1014226385.db2.gz FGFULUYACLONAW-OAHLLOKOSA-N 2 0 313.445 3.724 20 0 DHADRP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580602505 1014246919 /nfs/dbraw/zinc/24/69/19/1014246919.db2.gz IVMMTPWELWBTLW-QGZVFWFLSA-N 2 0 312.457 3.905 20 0 DHADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001167426419 1014259800 /nfs/dbraw/zinc/25/98/00/1014259800.db2.gz WTHJAIJBKOXXPV-UFYCRDLUSA-N 2 0 324.553 3.904 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000656269327 1014279740 /nfs/dbraw/zinc/27/97/40/1014279740.db2.gz OQUMXTOZTIXOBT-BETUJISGSA-N 2 0 315.288 3.856 20 0 DHADRP Clc1ccc(SC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647989973 1014316206 /nfs/dbraw/zinc/31/62/06/1014316206.db2.gz LHPHOVLGFLZTSD-CYBMUJFWSA-N 2 0 310.894 3.506 20 0 DHADRP CCSc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000580740004 1014325603 /nfs/dbraw/zinc/32/56/03/1014325603.db2.gz AWUGDJNMDRSNKW-GOSISDBHSA-N 2 0 318.530 3.962 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119577 1014326825 /nfs/dbraw/zinc/32/68/25/1014326825.db2.gz MOFZAZVHIFUWLH-XILPPMENSA-N 2 0 308.535 3.656 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000520589643 1014359299 /nfs/dbraw/zinc/35/92/99/1014359299.db2.gz AZTNBAJYJRYJML-UHFFFAOYSA-N 2 0 319.449 3.510 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000580813425 1014368060 /nfs/dbraw/zinc/36/80/60/1014368060.db2.gz OUMDCMVHDXDWSN-SFHVURJKSA-N 2 0 304.865 3.791 20 0 DHADRP CSC1(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC[NH+](C)CC1 ZINC000580863140 1014409728 /nfs/dbraw/zinc/40/97/28/1014409728.db2.gz PAUJDWYBKAJBKJ-WBVHZDCISA-N 2 0 318.530 3.960 20 0 DHADRP C[C@H]1CC([NH2+]CCc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008580 1014475265 /nfs/dbraw/zinc/47/52/65/1014475265.db2.gz XMCWGLWQYSAZFY-ROUUACIJSA-N 2 0 323.484 3.655 20 0 DHADRP CC1(C)CC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000665246033 1014533803 /nfs/dbraw/zinc/53/38/03/1014533803.db2.gz XISCBQXRGLAHGE-FGTMMUONSA-N 2 0 322.537 3.586 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000427852035 1014539216 /nfs/dbraw/zinc/53/92/16/1014539216.db2.gz SSBRFKXVFKNJSZ-QFBILLFUSA-N 2 0 306.469 3.858 20 0 DHADRP C[C@@H]1CC(Nc2cccc(C[NH3+])c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012086 1014606155 /nfs/dbraw/zinc/60/61/55/1014606155.db2.gz VXPMUZNISIWTQF-IAGOWNOFSA-N 2 0 323.484 3.999 20 0 DHADRP C[C@@H]1C[C@@H](Nc2cccc(C[NH3+])c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012088 1014606413 /nfs/dbraw/zinc/60/64/13/1014606413.db2.gz VXPMUZNISIWTQF-UPHUGPLXSA-N 2 0 323.484 3.999 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000581200853 1014610417 /nfs/dbraw/zinc/61/04/17/1014610417.db2.gz TURINAYMTOCSTB-MAZHCROVSA-N 2 0 306.425 3.535 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000581205524 1014613248 /nfs/dbraw/zinc/61/32/48/1014613248.db2.gz OQWOXNXFLOKDDF-KFKAGJAMSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000665272910 1014628908 /nfs/dbraw/zinc/62/89/08/1014628908.db2.gz NHGSZIXITKVBRP-MWLCHTKSSA-N 2 0 320.321 3.770 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000581261706 1014658786 /nfs/dbraw/zinc/65/87/86/1014658786.db2.gz NJMIIJJDGDHHME-MRXNPFEDSA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)[C@H]([NH3+])CCN[C@H](C)c1cc(Br)ccc1F ZINC000665280961 1014668001 /nfs/dbraw/zinc/66/80/01/1014668001.db2.gz QMHHFFKGHDLGJU-QMTHXVAHSA-N 2 0 317.246 3.612 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000665281537 1014673872 /nfs/dbraw/zinc/67/38/72/1014673872.db2.gz FUTUEKUGCSJKEG-WUHRBBMRSA-N 2 0 300.899 3.857 20 0 DHADRP Cc1ccc(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000656469241 1014695492 /nfs/dbraw/zinc/69/54/92/1014695492.db2.gz IXBCILAJNDJHRR-UHFFFAOYSA-N 2 0 323.484 3.890 20 0 DHADRP Cc1ccc(SCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000442761861 1014725561 /nfs/dbraw/zinc/72/55/61/1014725561.db2.gz DBKRFDMUXYJWAQ-SJPCQFCGSA-N 2 0 304.503 3.610 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000443008660 1014790842 /nfs/dbraw/zinc/79/08/42/1014790842.db2.gz VDRBIFLZXVNUNT-UHFFFAOYSA-N 2 0 314.395 3.835 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000443061423 1014794686 /nfs/dbraw/zinc/79/46/86/1014794686.db2.gz RTQMXRKUBRJNSG-KRWDZBQOSA-N 2 0 312.457 3.670 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccsc1 ZINC000443101376 1014813120 /nfs/dbraw/zinc/81/31/20/1014813120.db2.gz COEJUFODBBVSLJ-RCCFBDPRSA-N 2 0 322.518 3.557 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000443078757 1014808902 /nfs/dbraw/zinc/80/89/02/1014808902.db2.gz XQOVKGOIFZZPBH-ZDUSSCGKSA-N 2 0 319.836 3.556 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1C1CCC([NH+](C)C)CC1 ZINC001168300272 1032104023 /nfs/dbraw/zinc/10/40/23/1032104023.db2.gz RPNZQYSQFQOVMN-OOHWJJMZSA-N 2 0 312.461 3.615 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090035273 1014899841 /nfs/dbraw/zinc/89/98/41/1014899841.db2.gz NBMBEJIACRALHK-DEYYWGMASA-N 2 0 324.896 3.736 20 0 DHADRP CCOC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000474087544 1014990539 /nfs/dbraw/zinc/99/05/39/1014990539.db2.gz GVERNENUIXMUBL-YTQUADARSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]([NH2+]CC1(Cc2ccccc2)CCC1)C1CC[NH+](C)CC1 ZINC000090392677 1015050016 /nfs/dbraw/zinc/05/00/16/1015050016.db2.gz VOJVIWCGGHULOX-KRWDZBQOSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H](C[NH2+]C(Cc1ccccc1)Cc1ccccc1)C[NH+](C)C ZINC000323972441 1015058217 /nfs/dbraw/zinc/05/82/17/1015058217.db2.gz HXHXKCQMZAALRT-SFHVURJKSA-N 2 0 310.485 3.628 20 0 DHADRP CC(C)CCCC[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000895346928 1015078419 /nfs/dbraw/zinc/07/84/19/1015078419.db2.gz OOSUSIKQBJBMFF-UHFFFAOYSA-N 2 0 303.494 3.710 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Cl ZINC000656785616 1015156555 /nfs/dbraw/zinc/15/65/55/1015156555.db2.gz MVVQEUBJBAOEJJ-INIZCTEOSA-N 2 0 322.880 3.560 20 0 DHADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656784789 1015157594 /nfs/dbraw/zinc/15/75/94/1015157594.db2.gz HJKLVNXCMJBRHP-HNNXBMFYSA-N 2 0 321.534 3.652 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cccc2cccnc21 ZINC000261750349 1015187790 /nfs/dbraw/zinc/18/77/90/1015187790.db2.gz OVHHIWVDJBPYAP-VQIMIIECSA-N 2 0 311.473 3.678 20 0 DHADRP Nc1[nH]c(CN2CC=C(c3cc(Cl)cc(Cl)c3)CC2)c[nH+]1 ZINC001205002092 1015229510 /nfs/dbraw/zinc/22/95/10/1015229510.db2.gz ZMEHIOLRMVHRBM-UHFFFAOYSA-N 2 0 323.227 3.588 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C(F)F)nc1 ZINC000895683679 1015260240 /nfs/dbraw/zinc/26/02/40/1015260240.db2.gz RTAIGRQNWIPURS-UHFFFAOYSA-N 2 0 311.420 3.717 20 0 DHADRP CSC1(C[NH2+][C@H](C)CCc2ccc(C)cc2)CC[NH+](C)CC1 ZINC000581756031 1015303191 /nfs/dbraw/zinc/30/31/91/1015303191.db2.gz QFMOPPCXWNXPFK-QGZVFWFLSA-N 2 0 320.546 3.733 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000474473522 1015386334 /nfs/dbraw/zinc/38/63/34/1015386334.db2.gz JSXVKWXMAOQXIO-IAGOWNOFSA-N 2 0 304.478 3.653 20 0 DHADRP CCCSC[C@H](C)[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000896036013 1015418241 /nfs/dbraw/zinc/41/82/41/1015418241.db2.gz ZGBDAWIUBKRQRA-DOTOQJQBSA-N 2 0 303.475 3.746 20 0 DHADRP CN(CCCC[NH+]1CCCCC1)Cc1c(Cl)n[nH]c1C1CC1 ZINC000896026979 1015418806 /nfs/dbraw/zinc/41/88/06/1015418806.db2.gz FQYULGMHSAKVON-UHFFFAOYSA-N 2 0 324.900 3.638 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](CC2(CCCOC)CCC2)CC1 ZINC000896059113 1015431055 /nfs/dbraw/zinc/43/10/55/1015431055.db2.gz VOGIHQIWWRPYDM-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891612344 1015446591 /nfs/dbraw/zinc/44/65/91/1015446591.db2.gz WWNDZGSAHJQZMY-UHFFFAOYSA-N 2 0 300.368 3.537 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039208 1015495603 /nfs/dbraw/zinc/49/56/03/1015495603.db2.gz CHDCZDQSUBUTOQ-HNJRGHQBSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)(C[NH2+][C@H]1CSCCc2ccccc21)C[NH+]1CCCC1 ZINC000581911435 1015523983 /nfs/dbraw/zinc/52/39/83/1015523983.db2.gz UGBIFWOZVCKEMX-SFHVURJKSA-N 2 0 318.530 3.729 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000474812689 1015614908 /nfs/dbraw/zinc/61/49/08/1015614908.db2.gz ZQMRRLUTSANVOE-HOJAQTOUSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]1CC(N2Cc3cccnc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041997 1015620417 /nfs/dbraw/zinc/62/04/17/1015620417.db2.gz XLUSRNUJVNSWAD-IRXDYDNUSA-N 2 0 321.468 3.839 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000562956481 1015664561 /nfs/dbraw/zinc/66/45/61/1015664561.db2.gz ZAZZOJKIOCTDAS-GFCCVEGCSA-N 2 0 304.356 3.624 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001168303957 1032126588 /nfs/dbraw/zinc/12/65/88/1032126588.db2.gz HLTPSFDYRQGWTA-ADKAHSJRSA-N 2 0 306.881 3.660 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000475040110 1015792407 /nfs/dbraw/zinc/79/24/07/1015792407.db2.gz USKNZKCJPZBECP-UYAOXDASSA-N 2 0 318.505 3.646 20 0 DHADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535806190 1015834881 /nfs/dbraw/zinc/83/48/81/1015834881.db2.gz KARCCYWQJOKWRL-MAUKXSAKSA-N 2 0 312.457 3.911 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cccnc2)CC1 ZINC000281142282 1015840577 /nfs/dbraw/zinc/84/05/77/1015840577.db2.gz ZGZLFZAOBCQMNC-UHFFFAOYSA-N 2 0 323.484 3.657 20 0 DHADRP Clc1ccnc2c1CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926311299 1015859880 /nfs/dbraw/zinc/85/98/80/1015859880.db2.gz YANSSONONFJPSF-QGZVFWFLSA-N 2 0 319.880 3.576 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657284565 1016188190 /nfs/dbraw/zinc/18/81/90/1016188190.db2.gz QFKGFZZIFLLCDS-LBPRGKRZSA-N 2 0 302.384 3.704 20 0 DHADRP Cc1ncsc1-c1ccc(CNCCC[N@@H+](C)C(C)C)cc1 ZINC000657305167 1016258022 /nfs/dbraw/zinc/25/80/22/1016258022.db2.gz LCSKTUKZDBEJRM-UHFFFAOYSA-N 2 0 317.502 3.938 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657346305 1016390338 /nfs/dbraw/zinc/39/03/38/1016390338.db2.gz AUGLDIVVNXGNFR-UHFFFAOYSA-N 2 0 303.475 3.508 20 0 DHADRP CCC[N@H+](CCC[NH+]1CCCCC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001307481746 1016428195 /nfs/dbraw/zinc/42/81/95/1016428195.db2.gz JAQUFLFGZAPTJB-ZWKOTPCHSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCCO1 ZINC000346563761 1016443921 /nfs/dbraw/zinc/44/39/21/1016443921.db2.gz PGJFVDMDTHEMCK-PXNSSMCTSA-N 2 0 316.489 3.720 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]Cc1cc2ccncc2s1)C(C)(C)C ZINC000657362876 1016460396 /nfs/dbraw/zinc/46/03/96/1016460396.db2.gz BLMQWGUHDWGMBT-INIZCTEOSA-N 2 0 305.491 3.752 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000281349102 1016468726 /nfs/dbraw/zinc/46/87/26/1016468726.db2.gz VEJVWRGGOMMLOV-HIFRSBDPSA-N 2 0 314.395 3.568 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000281349096 1016468741 /nfs/dbraw/zinc/46/87/41/1016468741.db2.gz VEJVWRGGOMMLOV-DZGCQCFKSA-N 2 0 314.395 3.568 20 0 DHADRP CSc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC000629694744 1016525567 /nfs/dbraw/zinc/52/55/67/1016525567.db2.gz ZRABGYAUEDAXBF-UHFFFAOYSA-N 2 0 312.482 3.999 20 0 DHADRP COCc1csc(CNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000657383575 1016553158 /nfs/dbraw/zinc/55/31/58/1016553158.db2.gz KKRIOKKKOQMWTN-UHFFFAOYSA-N 2 0 322.518 3.781 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(Cl)oc4ccccc43)C[C@@H]21 ZINC000346819605 1016565738 /nfs/dbraw/zinc/56/57/38/1016565738.db2.gz HTIVVSLGHDFMCA-CORIIIEPSA-N 2 0 304.821 3.645 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152400240 1016592709 /nfs/dbraw/zinc/59/27/09/1016592709.db2.gz IOJOEZZAJYTGMM-OCCSQVGLSA-N 2 0 307.507 3.710 20 0 DHADRP CC(C)n1ccnc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000657414807 1016689473 /nfs/dbraw/zinc/68/94/73/1016689473.db2.gz CXXZCERBXJLIRB-UHFFFAOYSA-N 2 0 318.509 3.597 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CC[C@@H]1[NH3+] ZINC000347104016 1016742691 /nfs/dbraw/zinc/74/26/91/1016742691.db2.gz KVXGHHOBSCGAEO-LRDDRELGSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@@H](CC[NH2+]Cc1cc2ccncc2s1)[NH+]1CCCCC1 ZINC000657433029 1016766836 /nfs/dbraw/zinc/76/68/36/1016766836.db2.gz NACJTMZXESJCPP-AWEZNQCLSA-N 2 0 303.475 3.650 20 0 DHADRP Cc1[nH+]ccc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1Cl ZINC000684890750 1016826534 /nfs/dbraw/zinc/82/65/34/1016826534.db2.gz QXHWAYCVSBLOIC-MRXNPFEDSA-N 2 0 315.848 3.754 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000671294814 1016866710 /nfs/dbraw/zinc/86/67/10/1016866710.db2.gz LHYASHJUUGTSIH-JXFKEZNVSA-N 2 0 300.490 3.638 20 0 DHADRP C[C@@H]1CC(N2CCC[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053094 1016915802 /nfs/dbraw/zinc/91/58/02/1016915802.db2.gz MSVBCHWZPHQNJB-JFIYKMOQSA-N 2 0 304.453 3.862 20 0 DHADRP Cc1ccc([C@H](O)[C@@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926408199 1016924239 /nfs/dbraw/zinc/92/42/39/1016924239.db2.gz RLSHFTGVYMHWCP-YLJYHZDGSA-N 2 0 318.505 3.517 20 0 DHADRP FC1(F)CCCC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657472740 1016953683 /nfs/dbraw/zinc/95/36/83/1016953683.db2.gz RMYJJBNSEMQMJP-AWEZNQCLSA-N 2 0 320.387 3.573 20 0 DHADRP C[N@@H+]1CC[C@@H](NCc2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623337679 1016963770 /nfs/dbraw/zinc/96/37/70/1016963770.db2.gz TVOICSOESDWHPT-CQSZACIVSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000623346085 1016976303 /nfs/dbraw/zinc/97/63/03/1016976303.db2.gz DQPYECWEWYIVAQ-JSGCOSHPSA-N 2 0 312.404 3.811 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344689 1016976632 /nfs/dbraw/zinc/97/66/32/1016976632.db2.gz ZIVHMVPCGLRFJM-SJLPKXTDSA-N 2 0 302.462 3.609 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623359919 1016988406 /nfs/dbraw/zinc/98/84/06/1016988406.db2.gz JLNRUKBEKIJTAJ-RDJZCZTQSA-N 2 0 304.478 3.997 20 0 DHADRP CCC[C@@H](C)[C@H](CC)[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000152862182 1017032349 /nfs/dbraw/zinc/03/23/49/1017032349.db2.gz MOKSEWOVRXOCEY-XLIONFOSSA-N 2 0 317.521 3.893 20 0 DHADRP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440829 1017048916 /nfs/dbraw/zinc/04/89/16/1017048916.db2.gz MODUMLIHXMVZDG-SJORKVTESA-N 2 0 304.478 3.615 20 0 DHADRP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440721 1017050646 /nfs/dbraw/zinc/05/06/46/1017050646.db2.gz HRMJJCKPXKVKBU-SJORKVTESA-N 2 0 304.478 3.615 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000361967864 1032176518 /nfs/dbraw/zinc/17/65/18/1032176518.db2.gz NKQAGQYBYPHVRO-ZIFCJYIRSA-N 2 0 316.489 3.980 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657538006 1017227528 /nfs/dbraw/zinc/22/75/28/1017227528.db2.gz WCXLJBQRROJRPA-MOPGFXCFSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC[NH2+]CC1 ZINC001246692409 1032202857 /nfs/dbraw/zinc/20/28/57/1032202857.db2.gz GAFWGTKVXKWCEK-LBPRGKRZSA-N 2 0 315.288 3.998 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001168314360 1032216316 /nfs/dbraw/zinc/21/63/16/1032216316.db2.gz FIWOMYCWRRBJLT-ZBCRRDGASA-N 2 0 308.853 3.626 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471802 1032248894 /nfs/dbraw/zinc/24/88/94/1032248894.db2.gz UDHGFRPYJXFCCD-WDSOQIARSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000118956263 1032256836 /nfs/dbraw/zinc/25/68/36/1032256836.db2.gz DJOZEVIJLPFHOR-PBHICJAKSA-N 2 0 308.897 3.981 20 0 DHADRP CC(C)[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000475197242 1017072976 /nfs/dbraw/zinc/07/29/76/1017072976.db2.gz XQETYVHOAWSHBY-HXUWFJFHSA-N 2 0 300.490 3.890 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1(C)C ZINC000623496357 1017079851 /nfs/dbraw/zinc/07/98/51/1017079851.db2.gz RXGRMNIYHOXPTJ-CABCVRRESA-N 2 0 314.395 3.795 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000362203302 1032269863 /nfs/dbraw/zinc/26/98/63/1032269863.db2.gz VCDYMXLSYAQAOH-LMMKCTJWSA-N 2 0 302.462 3.753 20 0 DHADRP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCCCCCC[NH3+])CC2 ZINC001171298689 1032285912 /nfs/dbraw/zinc/28/59/12/1032285912.db2.gz MCWCSAGHWCNXMZ-AWEZNQCLSA-N 2 0 324.896 3.705 20 0 DHADRP Cc1cccc(OC2CC[NH+](C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168326988 1032289737 /nfs/dbraw/zinc/28/97/37/1032289737.db2.gz HQEKLCGHUOBHBN-UHFFFAOYSA-N 2 0 316.489 3.711 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC001171309545 1032315630 /nfs/dbraw/zinc/31/56/30/1032315630.db2.gz YSMSRRZWEBCDSF-MOPGFXCFSA-N 2 0 304.453 3.707 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000057993944 1032324858 /nfs/dbraw/zinc/32/48/58/1032324858.db2.gz HOAGNFDWIJGZHX-CYBMUJFWSA-N 2 0 300.368 3.527 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000119959388 1032332171 /nfs/dbraw/zinc/33/21/71/1032332171.db2.gz PUKUYVKPHWUWRE-LSDHHAIUSA-N 2 0 310.457 3.995 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000248125820 1017080705 /nfs/dbraw/zinc/08/07/05/1017080705.db2.gz NWXCGAIVJBZWOG-ABAIWWIYSA-N 2 0 313.272 3.912 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348098598 1032461522 /nfs/dbraw/zinc/46/15/22/1032461522.db2.gz UHBMVMUQJHSSKP-FUHIMQAGSA-N 2 0 312.457 3.711 20 0 DHADRP CC[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000179725817 1017292905 /nfs/dbraw/zinc/29/29/05/1017292905.db2.gz HPQXRVNRRXSKKT-HIFRSBDPSA-N 2 0 312.404 3.813 20 0 DHADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623544715 1017096524 /nfs/dbraw/zinc/09/65/24/1017096524.db2.gz HHSOFEOEORKOJT-FUHWJXTLSA-N 2 0 318.505 3.726 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1(C)C ZINC000623537916 1017098280 /nfs/dbraw/zinc/09/82/80/1017098280.db2.gz NIZMHFANWFXXRV-IHRRRGAJSA-N 2 0 306.416 3.960 20 0 DHADRP c1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000092856928 1032514223 /nfs/dbraw/zinc/51/42/23/1032514223.db2.gz RJFPDCWWDPZQPA-NRFANRHFSA-N 2 0 321.468 3.965 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171361410 1032516289 /nfs/dbraw/zinc/51/62/89/1032516289.db2.gz XQCCMYBLXABHQD-WMLDXEAASA-N 2 0 322.443 3.663 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172837625 1033401468 /nfs/dbraw/zinc/40/14/68/1033401468.db2.gz OQZJJMCSQKOGJG-ZDUSSCGKSA-N 2 0 312.860 3.873 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000773072055 1032549630 /nfs/dbraw/zinc/54/96/30/1032549630.db2.gz ABQMVHLRLSJDAJ-CVEARBPZSA-N 2 0 300.556 3.864 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000179797784 1017310630 /nfs/dbraw/zinc/31/06/30/1017310630.db2.gz WPDGEJVQVWBISW-MRXNPFEDSA-N 2 0 304.478 3.605 20 0 DHADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000773082483 1032550989 /nfs/dbraw/zinc/55/09/89/1032550989.db2.gz WJTUICQNSUAINC-IBGZPJMESA-N 2 0 320.521 3.722 20 0 DHADRP CCCOc1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000537647741 1032581683 /nfs/dbraw/zinc/58/16/83/1032581683.db2.gz HHHGBDYAIOSAQX-LJQANCHMSA-N 2 0 316.489 3.783 20 0 DHADRP CC(C)CCc1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424300546 1011964481 /nfs/dbraw/zinc/96/44/81/1011964481.db2.gz WQZNLSMBZKLNDY-OAHLLOKOSA-N 2 0 321.534 3.696 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000061626379 1011984618 /nfs/dbraw/zinc/98/46/18/1011984618.db2.gz CDZZCBDTBIPJOF-GFCCVEGCSA-N 2 0 300.368 3.525 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000579734311 1012000854 /nfs/dbraw/zinc/00/08/54/1012000854.db2.gz UKUDMYLWHVXMNE-CABCVRRESA-N 2 0 307.507 3.593 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414907629 1012021651 /nfs/dbraw/zinc/02/16/51/1012021651.db2.gz AUCRYIIHMNRLTF-CHWSQXEVSA-N 2 0 306.759 3.718 20 0 DHADRP Fc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001171405890 1032595980 /nfs/dbraw/zinc/59/59/80/1032595980.db2.gz BPMNOWGPQBPZAW-KRWDZBQOSA-N 2 0 316.464 3.680 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@@H](C(C)C)[C@H](C)C2)CC[NH+](C)CC1 ZINC000579768170 1012063408 /nfs/dbraw/zinc/06/34/08/1012063408.db2.gz FXYXMTWOFGITNM-ZACQAIPSSA-N 2 0 312.567 3.864 20 0 DHADRP C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cnc2ccsc2c1 ZINC000643546143 1012093186 /nfs/dbraw/zinc/09/31/86/1012093186.db2.gz JPTXNVRQZAOAAP-JSGCOSHPSA-N 2 0 301.459 3.622 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1SC ZINC000643546855 1012104413 /nfs/dbraw/zinc/10/44/13/1012104413.db2.gz VWOXDTSHBWNKBA-UKRRQHHQSA-N 2 0 320.502 3.742 20 0 DHADRP Clc1ccc(Cl)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1Cl ZINC000666952191 1032602295 /nfs/dbraw/zinc/60/22/95/1032602295.db2.gz JRPMAHKQRMDWLF-LBPRGKRZSA-N 2 0 319.663 3.879 20 0 DHADRP Clc1ccc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168354101 1032615331 /nfs/dbraw/zinc/61/53/31/1032615331.db2.gz ZEHUSKGWPDAXJU-UHFFFAOYSA-N 2 0 306.881 3.737 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171412899 1032617996 /nfs/dbraw/zinc/61/79/96/1032617996.db2.gz AHAKZMQJMLFYSZ-SZMVWBNQSA-N 2 0 316.464 3.807 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000514544880 1012389239 /nfs/dbraw/zinc/38/92/39/1012389239.db2.gz MHVXWEIXPYSAMY-UHFFFAOYSA-N 2 0 324.509 3.972 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC[C@H]3C2)cc1 ZINC001167958490 1012435493 /nfs/dbraw/zinc/43/54/93/1012435493.db2.gz FYMBYQUPZWXCBI-QGLKVJOYSA-N 2 0 310.485 3.629 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171419462 1032627608 /nfs/dbraw/zinc/62/76/08/1032627608.db2.gz QMGAHGDOFBXBQE-OKZBNKHCSA-N 2 0 318.480 3.926 20 0 DHADRP Cc1cc2cc(C[NH3+])ccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959395 1012556529 /nfs/dbraw/zinc/55/65/29/1012556529.db2.gz OBTJKPBJNLNWPC-YOFSQIOKSA-N 2 0 323.484 3.986 20 0 DHADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000515257433 1012588001 /nfs/dbraw/zinc/58/80/01/1012588001.db2.gz QAQKGPGPVITPMJ-JKSUJKDBSA-N 2 0 316.493 3.594 20 0 DHADRP C[N@@H+]1CCC[C@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000515366304 1012606565 /nfs/dbraw/zinc/60/65/65/1012606565.db2.gz BORJNWAWOVBFLF-QGZVFWFLSA-N 2 0 323.569 3.597 20 0 DHADRP CSC(C)(C)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000154252054 1012614273 /nfs/dbraw/zinc/61/42/73/1012614273.db2.gz LHYKHKFGAONEBL-UHFFFAOYSA-N 2 0 324.509 3.564 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)ccc2c1 ZINC000324218116 1012634213 /nfs/dbraw/zinc/63/42/13/1012634213.db2.gz RAFHAGICTGCTLI-TZIWHRDSSA-N 2 0 324.468 3.812 20 0 DHADRP COCCC1(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)CCCCC1 ZINC000436276865 1012711156 /nfs/dbraw/zinc/71/11/56/1012711156.db2.gz VRBAWPISJVOJBB-QZTJIDSGSA-N 2 0 310.526 3.826 20 0 DHADRP Cc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000154524258 1012755445 /nfs/dbraw/zinc/75/54/45/1012755445.db2.gz QMKKTHNOOMLJCU-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000154517369 1012761403 /nfs/dbraw/zinc/76/14/03/1012761403.db2.gz JBADEJSGNFALIJ-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP C[C@@H](CN1CCC([N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001208894866 1012767357 /nfs/dbraw/zinc/76/73/57/1012767357.db2.gz WTMZVELOGHCJBT-AWEZNQCLSA-N 2 0 314.395 3.781 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000516562001 1012800042 /nfs/dbraw/zinc/80/00/42/1012800042.db2.gz FYQANHGKOWUZRS-ZDUSSCGKSA-N 2 0 318.383 3.666 20 0 DHADRP Fc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1Cl ZINC001167961898 1012814496 /nfs/dbraw/zinc/81/44/96/1012814496.db2.gz QAAZSAXERDTLMM-MQVJKMGUSA-N 2 0 322.855 3.974 20 0 DHADRP Cc1cc2cc(CNC[C@H]3CC[N@@H+](C(C)C)C3)oc2cc1C ZINC000516815258 1012832780 /nfs/dbraw/zinc/83/27/80/1012832780.db2.gz LJUIZRCKKXJCHX-MRXNPFEDSA-N 2 0 300.446 3.870 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000517046453 1012896449 /nfs/dbraw/zinc/89/64/49/1012896449.db2.gz VNFPCHYFYOIJTR-YSIASYRMSA-N 2 0 311.473 3.563 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000517168225 1012922793 /nfs/dbraw/zinc/92/27/93/1012922793.db2.gz UVWYJXUKTHLQDI-MAUKXSAKSA-N 2 0 310.441 3.674 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000517226396 1012936689 /nfs/dbraw/zinc/93/66/89/1012936689.db2.gz RKZHRLPWBFBLFI-XSWJXKHESA-N 2 0 306.881 3.906 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000425945897 1012991791 /nfs/dbraw/zinc/99/17/91/1012991791.db2.gz MNYKEHPCMDEADM-ZIAGYGMSSA-N 2 0 312.885 3.976 20 0 DHADRP CC[C@@H](OCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558808 1017110616 /nfs/dbraw/zinc/11/06/16/1017110616.db2.gz JOPDUASCNYTHBK-ZWKOTPCHSA-N 2 0 304.478 3.617 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CCCOC1 ZINC000623591344 1017125021 /nfs/dbraw/zinc/12/50/21/1017125021.db2.gz MFSOHMMAECBIGP-LJQANCHMSA-N 2 0 318.505 3.551 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000178047543 1017152324 /nfs/dbraw/zinc/15/23/24/1017152324.db2.gz ZJXPMFONGCVSGN-CPUCHLNUSA-N 2 0 302.487 3.762 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000623656257 1017155713 /nfs/dbraw/zinc/15/57/13/1017155713.db2.gz QJFLMKVIZFCBAQ-AWEZNQCLSA-N 2 0 317.864 3.710 20 0 DHADRP C[C@@H]1CC([N@H+](C)[C@H]2CCCOC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168063587 1017194900 /nfs/dbraw/zinc/19/49/00/1017194900.db2.gz CTRQEXMTAGDSBY-LMMKCTJWSA-N 2 0 316.489 3.539 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC001167601748 1017199489 /nfs/dbraw/zinc/19/94/89/1017199489.db2.gz GDUKWDFTLXNZHO-ROUUACIJSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534114 1017214235 /nfs/dbraw/zinc/21/42/35/1017214235.db2.gz DZRZGRYRGRLQET-IEBWSBKVSA-N 2 0 323.484 3.828 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC(C)(C)C1 ZINC000657536508 1017225087 /nfs/dbraw/zinc/22/50/87/1017225087.db2.gz KUIJKVLRMKAKML-WMZOPIPTSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)oc3ccccc32)C1 ZINC000180004856 1017345501 /nfs/dbraw/zinc/34/55/01/1017345501.db2.gz WUIOVBDADZRVSN-MRXNPFEDSA-N 2 0 300.446 3.905 20 0 DHADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000076004365 1017358006 /nfs/dbraw/zinc/35/80/06/1017358006.db2.gz HRWBSCJWGVXEKN-OAHLLOKOSA-N 2 0 315.436 3.538 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716649015 1032699085 /nfs/dbraw/zinc/69/90/85/1032699085.db2.gz HMOMHMDBSITWOK-GTAWCEEGSA-N 2 0 324.468 3.853 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000180406757 1017436866 /nfs/dbraw/zinc/43/68/66/1017436866.db2.gz RSKVQOHSWLZIBS-FQEVSTJZSA-N 2 0 300.490 3.779 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000716659110 1032700022 /nfs/dbraw/zinc/70/00/22/1032700022.db2.gz ZDHCIEOREKZYII-ACRUOGEOSA-N 2 0 321.468 3.533 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000657586394 1017514140 /nfs/dbraw/zinc/51/41/40/1017514140.db2.gz SZQDLKRXPCYALJ-UHFFFAOYSA-N 2 0 320.440 3.643 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000623832921 1017530979 /nfs/dbraw/zinc/53/09/79/1017530979.db2.gz LQTCZCHOACHOPY-LZLYRXPVSA-N 2 0 304.865 3.934 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(N2CCCC2)c1 ZINC000339076125 1017531034 /nfs/dbraw/zinc/53/10/34/1017531034.db2.gz SXAUSAKCNWNOLM-HQRMLTQVSA-N 2 0 313.489 3.564 20 0 DHADRP c1ccc(SC2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339068625 1017533296 /nfs/dbraw/zinc/53/32/96/1017533296.db2.gz RVDDNQVUVXLEKJ-HOTGVXAUSA-N 2 0 302.487 3.528 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623855013 1017545325 /nfs/dbraw/zinc/54/53/25/1017545325.db2.gz OQRGVFSDTXMSOL-LPHOPBHVSA-N 2 0 304.478 3.576 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)C1 ZINC000623867162 1017555774 /nfs/dbraw/zinc/55/57/74/1017555774.db2.gz SAOVKKFJKURKPX-NEPJUHHUSA-N 2 0 318.358 3.837 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623888854 1017570029 /nfs/dbraw/zinc/57/00/29/1017570029.db2.gz WIQSAVXEXUJIGQ-LLVKDONJSA-N 2 0 318.358 3.837 20 0 DHADRP CCCCN(CC)CC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171451345 1032708620 /nfs/dbraw/zinc/70/86/20/1032708620.db2.gz ZSZVDNKRVMIHIB-INIZCTEOSA-N 2 0 310.432 3.534 20 0 DHADRP Cc1cccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C(C)C)c1 ZINC000623891047 1017571535 /nfs/dbraw/zinc/57/15/35/1017571535.db2.gz BRKIKWWETNWHOG-VQTJNVASSA-N 2 0 318.505 3.519 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857902877 1032709052 /nfs/dbraw/zinc/70/90/52/1032709052.db2.gz WOXQMZIAYDLASL-HOCLYGCPSA-N 2 0 321.896 3.967 20 0 DHADRP C[C@H]1CCCC[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613846 1017582890 /nfs/dbraw/zinc/58/28/90/1017582890.db2.gz TYVYUHNXFNOKTN-FXAWDEMLSA-N 2 0 315.505 3.710 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444609213 1017587531 /nfs/dbraw/zinc/58/75/31/1017587531.db2.gz ASKZHLRLIYHQCX-QAPCUYQASA-N 2 0 324.896 3.882 20 0 DHADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444623581 1017599240 /nfs/dbraw/zinc/59/92/40/1017599240.db2.gz YJSVFLOCNJXKRG-UYAOXDASSA-N 2 0 300.490 3.816 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccsc3)cc2)C1 ZINC000444646193 1017603295 /nfs/dbraw/zinc/60/32/95/1017603295.db2.gz YYOSIPDSENWFNU-INIZCTEOSA-N 2 0 300.471 3.799 20 0 DHADRP Clc1ccc2c(n1)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000857904421 1032711164 /nfs/dbraw/zinc/71/11/64/1032711164.db2.gz GUROKCHCSJKERS-MRXNPFEDSA-N 2 0 321.896 3.968 20 0 DHADRP CCc1ccccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000444661843 1017610135 /nfs/dbraw/zinc/61/01/35/1017610135.db2.gz BEDNLKXLMXDUDS-PZJWPPBQSA-N 2 0 312.501 3.740 20 0 DHADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000193145591 1017655449 /nfs/dbraw/zinc/65/54/49/1017655449.db2.gz KTSXPVQNCGBNSA-MAUKXSAKSA-N 2 0 301.478 3.712 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171454924 1032715883 /nfs/dbraw/zinc/71/58/83/1032715883.db2.gz XNGROGFSSMKALZ-QGZVFWFLSA-N 2 0 322.443 3.532 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@H](C)C1 ZINC000153427269 1017681344 /nfs/dbraw/zinc/68/13/44/1017681344.db2.gz XWKDVSZGRJHCJM-UZLBHIALSA-N 2 0 309.457 3.569 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122625 1017694608 /nfs/dbraw/zinc/69/46/08/1017694608.db2.gz XACLEWUHLNZWSJ-HOTGVXAUSA-N 2 0 306.519 3.661 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C(C)C)cc1 ZINC000624122713 1017695421 /nfs/dbraw/zinc/69/54/21/1017695421.db2.gz ZKAXYJLGMCPRKX-QFBILLFUSA-N 2 0 304.478 3.714 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000643344983 1017793112 /nfs/dbraw/zinc/79/31/12/1017793112.db2.gz DISWOUCTLNTFDN-KBPBESRZSA-N 2 0 312.860 3.732 20 0 DHADRP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090963936 1017838141 /nfs/dbraw/zinc/83/81/41/1017838141.db2.gz MYQUGLBMPJPVND-LSTHTHJFSA-N 2 0 300.490 3.957 20 0 DHADRP C[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000182073872 1017857905 /nfs/dbraw/zinc/85/79/05/1017857905.db2.gz YSYAHORXEGJYSV-GOSISDBHSA-N 2 0 323.484 3.766 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCC[C@H]1C ZINC000658069815 1018027077 /nfs/dbraw/zinc/02/70/77/1018027077.db2.gz ISZIPCRFXYPRIH-UWVAXJGDSA-N 2 0 322.537 3.682 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(C)n1 ZINC000123021732 1018038063 /nfs/dbraw/zinc/03/80/63/1018038063.db2.gz YCESGIVGXCHREN-OAHLLOKOSA-N 2 0 324.472 3.540 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171471972 1032740797 /nfs/dbraw/zinc/74/07/97/1032740797.db2.gz LCAPJRPIFDBYEN-IMRCBTMISA-N 2 0 322.443 3.532 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CC2 ZINC000123625274 1018094833 /nfs/dbraw/zinc/09/48/33/1018094833.db2.gz QGLAMOOHDYHPPN-FQEVSTJZSA-N 2 0 310.441 3.534 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)[C@H](C)C1 ZINC001171472546 1032743435 /nfs/dbraw/zinc/74/34/35/1032743435.db2.gz NXINGKMYQJHERC-ACWOFJMJSA-N 2 0 322.443 3.531 20 0 DHADRP Cc1cc(F)ccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673814 1018125929 /nfs/dbraw/zinc/12/59/29/1018125929.db2.gz WRCNZGWKBCARQY-NVXWUHKLSA-N 2 0 304.453 3.877 20 0 DHADRP [NH3+][C@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000261819812 1018152593 /nfs/dbraw/zinc/15/25/93/1018152593.db2.gz AOORZTRPYSALOJ-JKSUJKDBSA-N 2 0 306.331 3.940 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOC(C)(C)C)C1 ZINC000674907629 1018189398 /nfs/dbraw/zinc/18/93/98/1018189398.db2.gz DZPYIGCBUVCTMO-ROUUACIJSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261821746 1018189729 /nfs/dbraw/zinc/18/97/29/1018189729.db2.gz ARQPXKJOMBIQEX-OLZOCXBDSA-N 2 0 316.367 3.707 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000525180958 1018194448 /nfs/dbraw/zinc/19/44/48/1018194448.db2.gz SMMORDHRQFVLKU-AEFFLSMTSA-N 2 0 304.478 3.685 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446741914 1018231208 /nfs/dbraw/zinc/23/12/08/1018231208.db2.gz CRMYFERMXXKPRY-UXHICEINSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000764601632 1018329030 /nfs/dbraw/zinc/32/90/30/1018329030.db2.gz XAMYNKVAPLUECU-ZWKOTPCHSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658247903 1018348265 /nfs/dbraw/zinc/34/82/65/1018348265.db2.gz AEPZHFMFBIDTFV-IAGOWNOFSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(OCC[NH+](C)C)cc1 ZINC000764773419 1018373012 /nfs/dbraw/zinc/37/30/12/1018373012.db2.gz HZZCDECRYNILTN-JKSUJKDBSA-N 2 0 316.445 3.502 20 0 DHADRP OCC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000766136742 1018476941 /nfs/dbraw/zinc/47/69/41/1018476941.db2.gz QVFLJMGHYQZQAI-QGZVFWFLSA-N 2 0 322.518 3.558 20 0 DHADRP OCC[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000766136739 1018477837 /nfs/dbraw/zinc/47/78/37/1018477837.db2.gz QVFLJMGHYQZQAI-KRWDZBQOSA-N 2 0 322.518 3.558 20 0 DHADRP COc1ccc([C@H](C)C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000447899551 1018500011 /nfs/dbraw/zinc/50/00/11/1018500011.db2.gz UIYHZDIDAYGKRD-QAPCUYQASA-N 2 0 304.478 3.509 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CCS2 ZINC000635010560 1018512096 /nfs/dbraw/zinc/51/20/96/1018512096.db2.gz KHCGBUUJVXWPMM-BBRMVZONSA-N 2 0 320.502 3.600 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000635012500 1018513841 /nfs/dbraw/zinc/51/38/41/1018513841.db2.gz VETRMJZHWONRAU-MRXNPFEDSA-N 2 0 324.468 3.970 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1OC(F)F ZINC000635012710 1018514086 /nfs/dbraw/zinc/51/40/86/1018514086.db2.gz VHKVLIMSDGGYSB-STQMWFEESA-N 2 0 312.404 3.717 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000650705236 1018516529 /nfs/dbraw/zinc/51/65/29/1018516529.db2.gz AEQFIOKXOADDFI-NJDAHSKKSA-N 2 0 324.468 3.558 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C(C)(C)C)cc2)CC[NH+](C)CC1 ZINC000583534771 1018540013 /nfs/dbraw/zinc/54/00/13/1018540013.db2.gz DKOYWFLDXFNBOT-UHFFFAOYSA-N 2 0 320.546 3.901 20 0 DHADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527350126 1018553853 /nfs/dbraw/zinc/55/38/53/1018553853.db2.gz ZARLGTLVHMOSGM-VQIMIIECSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717844 1018561426 /nfs/dbraw/zinc/56/14/26/1018561426.db2.gz OMZMPWAUHJRADI-CYBMUJFWSA-N 2 0 304.384 3.534 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720006 1018567973 /nfs/dbraw/zinc/56/79/73/1018567973.db2.gz BVEONZZPIAIZCC-UHFFFAOYSA-N 2 0 318.848 3.748 20 0 DHADRP C[C@H](CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000650724127 1018580936 /nfs/dbraw/zinc/58/09/36/1018580936.db2.gz YNXYYOYSFSRRJW-VBSBHUPXSA-N 2 0 316.489 3.541 20 0 DHADRP C[C@@H]([NH2+]CCCCOc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000675780234 1018581884 /nfs/dbraw/zinc/58/18/84/1018581884.db2.gz GCVZLNNEOOUQHJ-OAHLLOKOSA-N 2 0 324.896 3.819 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675770020 1018584829 /nfs/dbraw/zinc/58/48/29/1018584829.db2.gz OMAZTMHJDWAOMA-HNNXBMFYSA-N 2 0 324.896 3.737 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675771248 1018586436 /nfs/dbraw/zinc/58/64/36/1018586436.db2.gz PISMEHVUFBKHCQ-CYBMUJFWSA-N 2 0 304.409 3.700 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC000926920003 1032772960 /nfs/dbraw/zinc/77/29/60/1032772960.db2.gz TYKZTALESCIUBR-GSEOLPGOSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000675928480 1018633676 /nfs/dbraw/zinc/63/36/76/1018633676.db2.gz OQRZVYXWZWISRO-LQWHRVPQSA-N 2 0 323.484 3.828 20 0 DHADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000650743052 1018638815 /nfs/dbraw/zinc/63/88/15/1018638815.db2.gz LCGMFHARPJCFEW-CQSZACIVSA-N 2 0 311.267 3.619 20 0 DHADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000650745439 1018640050 /nfs/dbraw/zinc/64/00/50/1018640050.db2.gz GVHCTBWLAMTSPO-JTQLQIEISA-N 2 0 318.795 3.721 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650745813 1018640508 /nfs/dbraw/zinc/64/05/08/1018640508.db2.gz OGFUKLFDKMJAPW-SFHVURJKSA-N 2 0 304.478 3.891 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC1(C[NH3+])CC1)CCCO2 ZINC000650745488 1018642761 /nfs/dbraw/zinc/64/27/61/1018642761.db2.gz HVGBPMGYDJQIGL-OAHLLOKOSA-N 2 0 308.853 3.581 20 0 DHADRP c1[nH]nc2cccc(C[NH2+]CCCCCCC[NH+]3CCCC3)c12 ZINC000858127836 1032773673 /nfs/dbraw/zinc/77/36/73/1032773673.db2.gz RHSOYWHXCYITRU-UHFFFAOYSA-N 2 0 314.477 3.699 20 0 DHADRP C[C@@H](C[NH+]1CCC(CC[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000565060096 1018645099 /nfs/dbraw/zinc/64/50/99/1018645099.db2.gz AOGOWDIRJRWLMY-ZDUSSCGKSA-N 2 0 314.395 3.870 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1Cl ZINC000650746628 1018649100 /nfs/dbraw/zinc/64/91/00/1018649100.db2.gz GYGOFKWZGRIHRM-ZDUSSCGKSA-N 2 0 310.869 3.907 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000650752654 1018666668 /nfs/dbraw/zinc/66/66/68/1018666668.db2.gz WULYEFBQABAVAM-MRXNPFEDSA-N 2 0 320.408 3.750 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc2c(s1)CCC2 ZINC000650754650 1018680183 /nfs/dbraw/zinc/68/01/83/1018680183.db2.gz NUJWDTQFFCLARU-LLVKDONJSA-N 2 0 304.434 3.685 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000650756162 1018682121 /nfs/dbraw/zinc/68/21/21/1018682121.db2.gz VTYJSUNKZAHHNK-JXFKEZNVSA-N 2 0 309.457 3.617 20 0 DHADRP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C[C@H]1c1ccccc1 ZINC000650755091 1018682304 /nfs/dbraw/zinc/68/23/04/1018682304.db2.gz YQAUFFFMEKRBQW-PKOBYXMFSA-N 2 0 312.432 3.956 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000126989976 1018688075 /nfs/dbraw/zinc/68/80/75/1018688075.db2.gz ADQQPXJSBAGSDV-CQSZACIVSA-N 2 0 315.486 3.898 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000650757518 1018689683 /nfs/dbraw/zinc/68/96/83/1018689683.db2.gz YWDSWHGKQFMQIM-HXUWFJFHSA-N 2 0 312.457 3.902 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[NH2+]C)s1 ZINC000650757842 1018691415 /nfs/dbraw/zinc/69/14/15/1018691415.db2.gz BZHXHPNIHQUSCU-LBPRGKRZSA-N 2 0 303.475 3.584 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1(C)C ZINC000858146782 1032779645 /nfs/dbraw/zinc/77/96/45/1032779645.db2.gz PRQBHBVJVCXGED-HNNXBMFYSA-N 2 0 319.880 3.826 20 0 DHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CCC3CC[NH2+]CC3)C2)c1 ZINC000650761682 1018705340 /nfs/dbraw/zinc/70/53/40/1018705340.db2.gz HOQVMPVGDGEJKB-SJLPKXTDSA-N 2 0 306.881 3.955 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1OCC ZINC000650764017 1018714805 /nfs/dbraw/zinc/71/48/05/1018714805.db2.gz OKPOLCNRKNAODO-OAHLLOKOSA-N 2 0 320.477 3.524 20 0 DHADRP c1coc(-c2ncc(CNC3CC[NH+](C4CCC4)CC3)s2)c1 ZINC000278494156 1018742860 /nfs/dbraw/zinc/74/28/60/1018742860.db2.gz MQIHLMGBUWWLNE-UHFFFAOYSA-N 2 0 317.458 3.510 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357526 1018755009 /nfs/dbraw/zinc/75/50/09/1018755009.db2.gz PNDPQMBXARTPOD-MRXNPFEDSA-N 2 0 316.489 3.776 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])C2 ZINC001171561632 1032784738 /nfs/dbraw/zinc/78/47/38/1032784738.db2.gz ZXUGZGTZXFUTPX-YJBOKZPZSA-N 2 0 302.506 3.843 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000676571791 1018774781 /nfs/dbraw/zinc/77/47/81/1018774781.db2.gz HDLIDRGQITVKPE-VQTJNVASSA-N 2 0 316.489 3.720 20 0 DHADRP Cc1nccn1CCCNc1ccnc2c(Cl)cccc12 ZINC000338716234 1018794361 /nfs/dbraw/zinc/79/43/61/1018794361.db2.gz OLRWRKWDXQUYOF-UHFFFAOYSA-N 2 0 300.793 3.895 20 0 DHADRP COc1ccc2c(NC3CC[NH+](CC(C)C)CC3)cc[nH+]c2c1 ZINC000765460285 1018795481 /nfs/dbraw/zinc/79/54/81/1018795481.db2.gz HNKFZCIKWMARKY-UHFFFAOYSA-N 2 0 313.445 3.776 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000765454049 1018797240 /nfs/dbraw/zinc/79/72/40/1018797240.db2.gz XZHHUQKVRAZHHD-IBGZPJMESA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000657812810 1018810347 /nfs/dbraw/zinc/81/03/47/1018810347.db2.gz FQYAPHAMLMJCTO-IBGZPJMESA-N 2 0 300.490 3.892 20 0 DHADRP CC(C)Oc1ccccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812913 1018813038 /nfs/dbraw/zinc/81/30/38/1018813038.db2.gz WQOGZXNVRGOWIW-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP CC[C@@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1[NH3+] ZINC000316889718 1018873158 /nfs/dbraw/zinc/87/31/58/1018873158.db2.gz BBTGYSRLGFHYLL-MLGOLLRUSA-N 2 0 319.836 3.554 20 0 DHADRP CC[C@@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000316889733 1018873376 /nfs/dbraw/zinc/87/33/76/1018873376.db2.gz BBTGYSRLGFHYLL-WBMJQRKESA-N 2 0 319.836 3.554 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172876600 1033448533 /nfs/dbraw/zinc/44/85/33/1033448533.db2.gz GUKVDGQRRLIXEI-KFWWJZLASA-N 2 0 324.921 3.704 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921819900 1018906560 /nfs/dbraw/zinc/90/65/60/1018906560.db2.gz IYBSICUWJSGGJV-XUVXKRRUSA-N 2 0 322.537 3.539 20 0 DHADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCCSCC1 ZINC000657823203 1018909465 /nfs/dbraw/zinc/90/94/65/1018909465.db2.gz BHTUVHDPBPRWBQ-SFHVURJKSA-N 2 0 304.503 3.658 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000921822347 1018909616 /nfs/dbraw/zinc/90/96/16/1018909616.db2.gz GWVMFOLEUWYHBD-UHFFFAOYSA-N 2 0 321.896 3.930 20 0 DHADRP CC1(C)CC([NH2+]C2CCC3(CCOCC3)CC2)CC(C)(C)[NH2+]1 ZINC000347669978 1018914378 /nfs/dbraw/zinc/91/43/78/1018914378.db2.gz XPEQSIQKUSXYCW-UHFFFAOYSA-N 2 0 308.510 3.625 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2([C@@H]3CCOC(C)(C)C3)CC2)CC1(C)C ZINC001171629487 1032795882 /nfs/dbraw/zinc/79/58/82/1032795882.db2.gz SVXIKFPJQRCYEI-OAHLLOKOSA-N 2 0 322.537 3.965 20 0 DHADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc2c1OCC2 ZINC000922985842 1018963005 /nfs/dbraw/zinc/96/30/05/1018963005.db2.gz LTMBPTYDQZBUSJ-APHBMKBZSA-N 2 0 320.864 3.552 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC000159042604 1018985657 /nfs/dbraw/zinc/98/56/57/1018985657.db2.gz JXMOUFTUGDMYMH-LJQANCHMSA-N 2 0 304.478 3.618 20 0 DHADRP [NH3+]CC[C@H]1CN(c2ccc(C3([NH3+])CCC3)cc2)c2ccccc21 ZINC001168548148 1018991104 /nfs/dbraw/zinc/99/11/04/1018991104.db2.gz DGBRUWQCOLWALY-HNNXBMFYSA-N 2 0 307.441 3.609 20 0 DHADRP CCOC1CCC([NH2+]C[C@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000657832663 1018992778 /nfs/dbraw/zinc/99/27/78/1018992778.db2.gz LNNIYBRIAUOQIC-CTWPCTMYSA-N 2 0 310.526 3.824 20 0 DHADRP CCOC1CCC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000657834576 1019008363 /nfs/dbraw/zinc/00/83/63/1019008363.db2.gz GZXNMKVFVDMWNM-UHFFFAOYSA-N 2 0 318.505 3.964 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168689713 1019010603 /nfs/dbraw/zinc/01/06/03/1019010603.db2.gz IRAOVAYSTKBKEK-ZBFHGGJFSA-N 2 0 308.897 3.907 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCOc2cccc(Cl)c2)CC1(C)C ZINC001171618792 1032802261 /nfs/dbraw/zinc/80/22/61/1032802261.db2.gz CIBNVAIVUYEGLL-UHFFFAOYSA-N 2 0 324.896 3.960 20 0 DHADRP C[C@]1(C[NH2+][C@H]2CCCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000692437245 1019042304 /nfs/dbraw/zinc/04/23/04/1019042304.db2.gz RTHGQMNNJOCPLL-RBUKOAKNSA-N 2 0 318.530 3.774 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000387072986 1019044374 /nfs/dbraw/zinc/04/43/74/1019044374.db2.gz BKEGWNXGNIPBDM-UHFFFAOYSA-N 2 0 304.478 3.610 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc2cnccc2o1 ZINC000657837820 1019063445 /nfs/dbraw/zinc/06/34/45/1019063445.db2.gz JWTLYBZRBOKPGR-CVEARBPZSA-N 2 0 315.461 3.991 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc3ccncc32)CC1(C)C ZINC001171624090 1032805480 /nfs/dbraw/zinc/80/54/80/1032805480.db2.gz MJAUYPGDRJZCDJ-UHFFFAOYSA-N 2 0 311.473 3.976 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(Br)cc1 ZINC000387282304 1019071747 /nfs/dbraw/zinc/07/17/47/1019071747.db2.gz GJVTVUBCVNLIHD-UHFFFAOYSA-N 2 0 313.283 3.659 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCc2c(F)cccc2F)CC1(C)C ZINC001171625074 1032805964 /nfs/dbraw/zinc/80/59/64/1032805964.db2.gz AVGGKFCGUMJFPL-UHFFFAOYSA-N 2 0 310.432 3.748 20 0 DHADRP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626032 1032806377 /nfs/dbraw/zinc/80/63/77/1032806377.db2.gz STIMRIOLQYZRAH-CQSZACIVSA-N 2 0 304.478 3.564 20 0 DHADRP c1nc(C2CC2)oc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000628186369 1019093218 /nfs/dbraw/zinc/09/32/18/1019093218.db2.gz HVYWINOYJPPFSH-UHFFFAOYSA-N 2 0 317.477 3.640 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1(C)C ZINC001171623567 1032807726 /nfs/dbraw/zinc/80/77/26/1032807726.db2.gz CKDYYQXJFGUJSB-MRXNPFEDSA-N 2 0 324.896 3.614 20 0 DHADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625519 1032807858 /nfs/dbraw/zinc/80/78/58/1032807858.db2.gz KTFZNGOGCUXEIU-GOSISDBHSA-N 2 0 316.489 3.924 20 0 DHADRP CC[C@@H](CSC)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000566972825 1019104157 /nfs/dbraw/zinc/10/41/57/1019104157.db2.gz AJFBPGBOLPHSCD-ZWKOTPCHSA-N 2 0 318.530 3.915 20 0 DHADRP CSC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000309709245 1019104843 /nfs/dbraw/zinc/10/48/43/1019104843.db2.gz IQGFYJHSWUJVDT-GOSISDBHSA-N 2 0 318.530 3.774 20 0 DHADRP c1ccc([C@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCS2)cc1 ZINC000923315837 1019124412 /nfs/dbraw/zinc/12/44/12/1019124412.db2.gz MVDMPXOSDBLGBZ-ZCTYVAAUSA-N 2 0 316.514 3.697 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C2(OC)CCC2)c1 ZINC000657842106 1019126160 /nfs/dbraw/zinc/12/61/60/1019126160.db2.gz UBKISUBKXLWURA-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP c1csc([C@@H]2CCCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923322857 1019131513 /nfs/dbraw/zinc/13/15/13/1019131513.db2.gz AYGMLMOXDLEAKQ-UYTSQGDYSA-N 2 0 305.491 3.591 20 0 DHADRP Clc1cc2cccnc2c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666997006 1032809874 /nfs/dbraw/zinc/80/98/74/1032809874.db2.gz QYRHOUCEFKCKRB-MRXNPFEDSA-N 2 0 315.848 3.653 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000156881190 1019153874 /nfs/dbraw/zinc/15/38/74/1019153874.db2.gz LOUWWZLBLQCZNM-CZUORRHYSA-N 2 0 314.395 3.568 20 0 DHADRP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923497354 1019243775 /nfs/dbraw/zinc/24/37/75/1019243775.db2.gz LEBVPUUGTGEYPM-HOCLYGCPSA-N 2 0 315.486 3.535 20 0 DHADRP Cc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708538854 1019254349 /nfs/dbraw/zinc/25/43/49/1019254349.db2.gz IGEOKYILPHQRAA-WIYYLYMNSA-N 2 0 308.469 3.853 20 0 DHADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000923525290 1019264739 /nfs/dbraw/zinc/26/47/39/1019264739.db2.gz FCVPGMPEHZNYLG-FUCXHRTASA-N 2 0 320.427 3.731 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)ccc2c1 ZINC000666999548 1032820041 /nfs/dbraw/zinc/82/00/41/1032820041.db2.gz VCDQCGLMDMVITI-GOSISDBHSA-N 2 0 310.441 3.613 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657855922 1019283685 /nfs/dbraw/zinc/28/36/85/1019283685.db2.gz JJYPSIPILCKMBM-GOSISDBHSA-N 2 0 306.519 3.902 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@H](C)C1 ZINC000624307306 1019291353 /nfs/dbraw/zinc/29/13/53/1019291353.db2.gz GWDYACNXIWNMCZ-CJNGLKHVSA-N 2 0 314.395 3.611 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486967505 1019355864 /nfs/dbraw/zinc/35/58/64/1019355864.db2.gz NJDMDVQNCUZXLH-GASCZTMLSA-N 2 0 321.534 3.868 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486967508 1019356305 /nfs/dbraw/zinc/35/63/05/1019356305.db2.gz NJDMDVQNCUZXLH-HUUCEWRRSA-N 2 0 321.534 3.868 20 0 DHADRP Cc1ccc(CC[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001171679631 1032829360 /nfs/dbraw/zinc/82/93/60/1032829360.db2.gz MALVWCCEAUMUSW-SFHVURJKSA-N 2 0 300.490 3.734 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)CC1(C)C ZINC000858293394 1032831039 /nfs/dbraw/zinc/83/10/39/1032831039.db2.gz DAHDGFYANIFECS-AWEZNQCLSA-N 2 0 321.415 3.999 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cn2)cc1 ZINC000092195449 1019483575 /nfs/dbraw/zinc/48/35/75/1019483575.db2.gz QSVYFGGNQJYCGR-OAHLLOKOSA-N 2 0 315.436 3.913 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092195330 1019485008 /nfs/dbraw/zinc/48/50/08/1019485008.db2.gz QTPCBZDMAOQZJF-OAHLLOKOSA-N 2 0 315.436 3.913 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1(C)C ZINC001171637848 1032834149 /nfs/dbraw/zinc/83/41/49/1032834149.db2.gz PXLVNGGDOOJJFJ-OAHLLOKOSA-N 2 0 301.478 3.522 20 0 DHADRP C[NH+]1C(C)(C)CC(N2CCC(C)([NH+]3CCCC3)CC2)CC1(C)C ZINC001171640296 1032836996 /nfs/dbraw/zinc/83/69/96/1032836996.db2.gz BGZAGAWOKQHNLM-UHFFFAOYSA-N 2 0 321.553 3.588 20 0 DHADRP CCC[N@H+](CCc1ccccn1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642442 1032839595 /nfs/dbraw/zinc/83/95/95/1032839595.db2.gz JXSDHJBLVFMZLA-UHFFFAOYSA-N 2 0 317.521 3.988 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+]CC(C)(C)C)CC2)cc1 ZINC000066991232 1019663237 /nfs/dbraw/zinc/66/32/37/1019663237.db2.gz HTLCXTBWECNRCC-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C[NH+]1CCCC1 ZINC000171141721 1019681974 /nfs/dbraw/zinc/68/19/74/1019681974.db2.gz IGBLNQJJMUPHQU-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282337642 1019748978 /nfs/dbraw/zinc/74/89/78/1019748978.db2.gz VBPUEAAVESZUNV-IBGZPJMESA-N 2 0 316.489 3.577 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(O)cc2)CC1)CC(C)C ZINC000685462670 1019845093 /nfs/dbraw/zinc/84/50/93/1019845093.db2.gz YYMSIQIUPXJAJL-UHFFFAOYSA-N 2 0 318.505 3.972 20 0 DHADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000922212229 1019884910 /nfs/dbraw/zinc/88/49/10/1019884910.db2.gz PMDPZKHJEDVQSN-MKXGPGLRSA-N 2 0 318.530 3.596 20 0 DHADRP CCC[NH+]1CCC(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000167846839 1019886220 /nfs/dbraw/zinc/88/62/20/1019886220.db2.gz IGMBXXXKMORLRU-QGZVFWFLSA-N 2 0 317.521 3.580 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000671742939 1019892236 /nfs/dbraw/zinc/89/22/36/1019892236.db2.gz ROLKUUKVYGMQOT-QYZOEREBSA-N 2 0 300.490 3.817 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000922224252 1019903090 /nfs/dbraw/zinc/90/30/90/1019903090.db2.gz KLOYSKSQKPVSBF-BGYRXZFFSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000858357979 1032862113 /nfs/dbraw/zinc/86/21/13/1032862113.db2.gz LLJGZTXJUTZFRQ-APWZRJJASA-N 2 0 308.510 3.578 20 0 DHADRP Cc1csc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1 ZINC000858369340 1032863257 /nfs/dbraw/zinc/86/32/57/1032863257.db2.gz HNYZKXSIFULJES-FHERZECASA-N 2 0 307.507 3.899 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC(C)(C)C1 ZINC000657536506 1019948395 /nfs/dbraw/zinc/94/83/95/1019948395.db2.gz KUIJKVLRMKAKML-FUHWJXTLSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)[C@H](C)C1 ZINC001168719387 1019958326 /nfs/dbraw/zinc/95/83/26/1019958326.db2.gz WXNVYKYQFYVNEW-SIIHOXLZSA-N 2 0 306.881 3.516 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000922305286 1019982018 /nfs/dbraw/zinc/98/20/18/1019982018.db2.gz ZJJWYSLWDCIYMP-UHFFFAOYSA-N 2 0 324.900 3.541 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000480628443 1020011894 /nfs/dbraw/zinc/01/18/94/1020011894.db2.gz YBOCWJALKDDPFM-KXBFYZLASA-N 2 0 304.453 3.915 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000158244483 1020017713 /nfs/dbraw/zinc/01/77/13/1020017713.db2.gz AINZTAQINFLOTG-IUODEOHRSA-N 2 0 310.894 3.808 20 0 DHADRP Fc1ccc(Cl)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813224 1020033876 /nfs/dbraw/zinc/03/38/76/1020033876.db2.gz KTPIUJUZNITDPZ-UHFFFAOYSA-N 2 0 310.844 3.691 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000922505996 1020106613 /nfs/dbraw/zinc/10/66/13/1020106613.db2.gz WPDNFZPDSHTACW-SNBPALBFSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000658063116 1020112130 /nfs/dbraw/zinc/11/21/30/1020112130.db2.gz RWEKHDZOKWGMGL-LVCYWYKZSA-N 2 0 323.484 3.685 20 0 DHADRP C([NH2+][C@H]1CCCC12CCCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000658069505 1020129203 /nfs/dbraw/zinc/12/92/03/1020129203.db2.gz GHYAXPQQDNRFET-IBGZPJMESA-N 2 0 320.521 3.580 20 0 DHADRP CC1(C)CCc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000731677402 1020136234 /nfs/dbraw/zinc/13/62/34/1020136234.db2.gz PDKNYRYMFFCTRL-QZTJIDSGSA-N 2 0 314.473 3.507 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677870 1020136854 /nfs/dbraw/zinc/13/68/54/1020136854.db2.gz ANQILGFJGGHZHE-KRWDZBQOSA-N 2 0 316.489 3.612 20 0 DHADRP CC1(C)CCc2cc(C[NH2+]CCC[NH+]3CCCCC3)ccc2O1 ZINC000731675188 1020138040 /nfs/dbraw/zinc/13/80/40/1020138040.db2.gz NJMAYNSYRIEXLH-UHFFFAOYSA-N 2 0 316.489 3.756 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166071 1020198637 /nfs/dbraw/zinc/19/86/37/1020198637.db2.gz MGWTUILTCMPOIW-VQTJNVASSA-N 2 0 315.505 3.708 20 0 DHADRP CCCC[C@H](CC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166861 1020200507 /nfs/dbraw/zinc/20/05/07/1020200507.db2.gz QGSBEBVZQSCMJH-IBGZPJMESA-N 2 0 303.494 3.852 20 0 DHADRP CC(C)C[N@H+]([C@H]1Cc2cccc(F)c2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171788573 1032887255 /nfs/dbraw/zinc/88/72/55/1032887255.db2.gz RRKRUGIFURRFBS-ULQDDVLXSA-N 2 0 304.453 3.521 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000658330453 1020293782 /nfs/dbraw/zinc/29/37/82/1020293782.db2.gz RXSBXGLNEUNCJP-LJQANCHMSA-N 2 0 308.510 3.578 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000922847083 1020304683 /nfs/dbraw/zinc/30/46/83/1020304683.db2.gz VDIBCYUIOKTYOT-UHFFFAOYSA-N 2 0 309.404 3.516 20 0 DHADRP C[C@@H]1Cc2cc(C[NH2+]C3CCC(C)([NH+]4CCC4)CC3)ccc2O1 ZINC000922846580 1020305686 /nfs/dbraw/zinc/30/56/86/1020305686.db2.gz NMUDZCUMMPJCGD-MYWSLZCHSA-N 2 0 314.473 3.507 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000922848361 1020307975 /nfs/dbraw/zinc/30/79/75/1020307975.db2.gz SGHILRQFRYWGMD-UHFFFAOYSA-N 2 0 324.472 3.573 20 0 DHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922845075 1020308920 /nfs/dbraw/zinc/30/89/20/1020308920.db2.gz BARYMVWRQBFSPS-VZDIDWBNSA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000658352356 1020320498 /nfs/dbraw/zinc/32/04/98/1020320498.db2.gz FJCNBDLLDKNZEV-MRXNPFEDSA-N 2 0 316.489 3.776 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353052 1020320638 /nfs/dbraw/zinc/32/06/38/1020320638.db2.gz BPBQQLWCRUVADF-INIZCTEOSA-N 2 0 318.480 3.858 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355935 1020321158 /nfs/dbraw/zinc/32/11/58/1020321158.db2.gz LTESNGFCPLYSPB-LJQANCHMSA-N 2 0 302.437 3.525 20 0 DHADRP c1cc2c(s1)CCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356287 1020321263 /nfs/dbraw/zinc/32/12/63/1020321263.db2.gz NFNYEEOPZUFRCY-QGZVFWFLSA-N 2 0 304.503 3.837 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357013 1020322816 /nfs/dbraw/zinc/32/28/16/1020322816.db2.gz MSOWBRDZWKZHKW-SFHVURJKSA-N 2 0 316.514 3.935 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000623657117 1020341926 /nfs/dbraw/zinc/34/19/26/1020341926.db2.gz KBRDWHCDRUTNIG-SHARSMKWSA-N 2 0 306.416 3.677 20 0 DHADRP COc1ccc2c(c1Cl)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000903130594 1020354532 /nfs/dbraw/zinc/35/45/32/1020354532.db2.gz DJVKOYRXOKHULS-HNNXBMFYSA-N 2 0 320.864 3.578 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808040 1032896602 /nfs/dbraw/zinc/89/66/02/1032896602.db2.gz XIWMFQAFUWDOPH-OKZBNKHCSA-N 2 0 316.464 3.632 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000132607789 1020387616 /nfs/dbraw/zinc/38/76/16/1020387616.db2.gz CZAFKZYQOARJKQ-HSMVNMDESA-N 2 0 315.288 3.854 20 0 DHADRP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000657908956 1020405045 /nfs/dbraw/zinc/40/50/45/1020405045.db2.gz JOHBLCXDYWWVJI-QYZOEREBSA-N 2 0 313.489 3.712 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474455994 1020496748 /nfs/dbraw/zinc/49/67/48/1020496748.db2.gz DPWUBGSUHFKNSJ-DNDYEEKYSA-N 2 0 318.427 3.818 20 0 DHADRP C[C@H]1C[C@@H]([N@H+](C)CCc2cccnc2)CCN1Cc1ccccc1 ZINC000172574331 1020531135 /nfs/dbraw/zinc/53/11/35/1020531135.db2.gz VWXXEDZIFKGDRJ-RXVVDRJESA-N 2 0 323.484 3.609 20 0 DHADRP C[C@@H]([NH2+]C1CC(CF)(CF)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657968747 1020596243 /nfs/dbraw/zinc/59/62/43/1020596243.db2.gz YJEJQHDOINHPJS-NVXWUHKLSA-N 2 0 322.443 3.574 20 0 DHADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000628336728 1020764827 /nfs/dbraw/zinc/76/48/27/1020764827.db2.gz OCJSJQYMJZEECR-MOPGFXCFSA-N 2 0 322.537 3.683 20 0 DHADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000766227434 1020852982 /nfs/dbraw/zinc/85/29/82/1020852982.db2.gz VORCBAQWNVLAQL-QILLFSRXSA-N 2 0 322.518 3.562 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[C@@H]1C ZINC000414085779 1020868067 /nfs/dbraw/zinc/86/80/67/1020868067.db2.gz YUTCNCIWIZCUIP-QGTPRVQTSA-N 2 0 306.519 3.984 20 0 DHADRP C[C@@H]([NH3+])c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967308 1032939188 /nfs/dbraw/zinc/93/91/88/1032939188.db2.gz YYRBHWQWHOCQIN-NVXWUHKLSA-N 2 0 312.461 3.519 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000348444497 1032939272 /nfs/dbraw/zinc/93/92/72/1032939272.db2.gz ZERDYWBNUVKQHK-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261916848 1020904569 /nfs/dbraw/zinc/90/45/69/1020904569.db2.gz HCYMMGBEWBSLMY-OUCADQQQSA-N 2 0 316.367 3.705 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178098322 1020933481 /nfs/dbraw/zinc/93/34/81/1020933481.db2.gz FMYSCZGCILHOHX-SJORKVTESA-N 2 0 316.489 3.784 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000414153575 1020944675 /nfs/dbraw/zinc/94/46/75/1020944675.db2.gz ZQEYVIXOOJQHFU-AUDHUZCDSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000414158535 1020945548 /nfs/dbraw/zinc/94/55/48/1020945548.db2.gz AHFKNWLPJSKGDM-YOEHRIQHSA-N 2 0 306.881 3.735 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000414158533 1020946104 /nfs/dbraw/zinc/94/61/04/1020946104.db2.gz AHFKNWLPJSKGDM-RHSMWYFYSA-N 2 0 306.881 3.735 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000414168728 1020956895 /nfs/dbraw/zinc/95/68/95/1020956895.db2.gz AKTCVMPPGKIPQT-SJLPKXTDSA-N 2 0 314.473 3.754 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000414171320 1020959678 /nfs/dbraw/zinc/95/96/78/1020959678.db2.gz DGXWTPFUKNSUMM-KGLIPLIRSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000414173107 1020960378 /nfs/dbraw/zinc/96/03/78/1020960378.db2.gz GERPCGFRFICDEE-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP CC(C)Oc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000171109494 1020960886 /nfs/dbraw/zinc/96/08/86/1020960886.db2.gz RGMKNLFWJUWAOH-UHFFFAOYSA-N 2 0 304.478 3.638 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414200278 1020987867 /nfs/dbraw/zinc/98/78/67/1020987867.db2.gz XRONJTIYBAEADI-KBPBESRZSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414225819 1021011817 /nfs/dbraw/zinc/01/18/17/1021011817.db2.gz BPINQUGHSMFXHG-JKIFEVAISA-N 2 0 322.443 3.705 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414225818 1021012426 /nfs/dbraw/zinc/01/24/26/1021012426.db2.gz BPINQUGHSMFXHG-CPUCHLNUSA-N 2 0 322.443 3.705 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC2(c3c(F)cccc3F)CCC2)CC1 ZINC000414228561 1021015181 /nfs/dbraw/zinc/01/51/81/1021015181.db2.gz DMZDHPUSKWUACR-UHFFFAOYSA-N 2 0 322.443 3.851 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C1CC1 ZINC000414240584 1021024097 /nfs/dbraw/zinc/02/40/97/1021024097.db2.gz NNSCCXOROXWHFJ-GJJHYRHESA-N 2 0 322.537 3.823 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000414274776 1021053810 /nfs/dbraw/zinc/05/38/10/1021053810.db2.gz QKLUBKJEUWQDMV-CQSZACIVSA-N 2 0 312.379 3.588 20 0 DHADRP COC1([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000414301527 1021072717 /nfs/dbraw/zinc/07/27/17/1021072717.db2.gz JVPOCDIGWXOGFI-AOIWGVFYSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000414316375 1021088022 /nfs/dbraw/zinc/08/80/22/1021088022.db2.gz UKCVQTWDOABRTD-CABCVRRESA-N 2 0 312.379 3.730 20 0 DHADRP COCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171970954 1032956113 /nfs/dbraw/zinc/95/61/13/1032956113.db2.gz GPSKLZDFCAIAAW-GOSISDBHSA-N 2 0 316.489 3.588 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171970636 1032957137 /nfs/dbraw/zinc/95/71/37/1032957137.db2.gz DTQNSEVEJYJAHM-BZSNNMDCSA-N 2 0 304.453 3.767 20 0 DHADRP COc1cccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000057889138 1021150415 /nfs/dbraw/zinc/15/04/15/1021150415.db2.gz NNVQZVFKDCXQRW-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP CCCC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970566 1032957618 /nfs/dbraw/zinc/95/76/18/1032957618.db2.gz DFMPJOQPWCWGRE-MOPGFXCFSA-N 2 0 318.505 3.570 20 0 DHADRP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647548874 1021155816 /nfs/dbraw/zinc/15/58/16/1021155816.db2.gz YZRYXMDFRGZVMK-QXAKKESOSA-N 2 0 316.489 3.589 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)sc1Br ZINC000423380345 1021194068 /nfs/dbraw/zinc/19/40/68/1021194068.db2.gz YLBPZMLVDCAUDV-GARJFASQSA-N 2 0 317.296 3.740 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cccc(Br)c21 ZINC000423407304 1021197366 /nfs/dbraw/zinc/19/73/66/1021197366.db2.gz ZTNMGWTURHDFSB-ZAZJYDDPSA-N 2 0 323.278 3.857 20 0 DHADRP Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926785194 1021197913 /nfs/dbraw/zinc/19/79/13/1021197913.db2.gz JTBFEJBTCZKPJQ-STQMWFEESA-N 2 0 303.475 3.925 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000423421323 1021198911 /nfs/dbraw/zinc/19/89/11/1021198911.db2.gz KCOFTPHQCWAQMX-XEZPLFJOSA-N 2 0 308.466 3.717 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392673 1021221307 /nfs/dbraw/zinc/22/13/07/1021221307.db2.gz KLQOTBIAYWKNEC-LMMKCTJWSA-N 2 0 300.490 3.718 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000537985920 1032962927 /nfs/dbraw/zinc/96/29/27/1032962927.db2.gz GFPZARINQNPBJU-SWLSCSKDSA-N 2 0 315.288 3.856 20 0 DHADRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000090585870 1021233044 /nfs/dbraw/zinc/23/30/44/1021233044.db2.gz JSXLIQIHOYUBJC-IRXDYDNUSA-N 2 0 304.478 3.714 20 0 DHADRP CC1(C)C[C@H](n2cccc2CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171977249 1032967203 /nfs/dbraw/zinc/96/72/03/1032967203.db2.gz ZMZLFWQYDQOLOT-LJQANCHMSA-N 2 0 311.473 3.605 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423452875 1021243621 /nfs/dbraw/zinc/24/36/21/1021243621.db2.gz KGGDWVAQMRYHEC-XHDPSFHLSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@@H]([NH3+])c1ccn([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982722 1032967587 /nfs/dbraw/zinc/96/75/87/1032967587.db2.gz KGZUSGYBEAFFMO-WBVHZDCISA-N 2 0 312.461 3.519 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]CCCCn2ccnc2C)cc1 ZINC000164614765 1021269793 /nfs/dbraw/zinc/26/97/93/1021269793.db2.gz YYTZOSTVSIOGFX-INIZCTEOSA-N 2 0 315.461 3.591 20 0 DHADRP CSCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986990 1032969869 /nfs/dbraw/zinc/96/98/69/1032969869.db2.gz OGOJBKBLEACURF-KRWDZBQOSA-N 2 0 306.519 3.724 20 0 DHADRP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCCCCC1 ZINC000134894559 1021337363 /nfs/dbraw/zinc/33/73/63/1021337363.db2.gz IUDCRSIRYGLXJC-YLJYHZDGSA-N 2 0 320.521 3.675 20 0 DHADRP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCCCCC1 ZINC000134894586 1021337884 /nfs/dbraw/zinc/33/78/84/1021337884.db2.gz IUDCRSIRYGLXJC-XLIONFOSSA-N 2 0 320.521 3.675 20 0 DHADRP C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000924650776 1032974424 /nfs/dbraw/zinc/97/44/24/1032974424.db2.gz WXFZIKRLHJJBPT-NXEZZACHSA-N 2 0 303.353 3.703 20 0 DHADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262709602 1021441476 /nfs/dbraw/zinc/44/14/76/1021441476.db2.gz OYJRTBHMQGJGRR-KXBFYZLASA-N 2 0 317.477 3.517 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000181381562 1021474775 /nfs/dbraw/zinc/47/47/75/1021474775.db2.gz LDCYQAJGWSJMAR-LAUBAEHRSA-N 2 0 308.469 3.968 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC2)C3)cc1 ZINC001172080046 1032983026 /nfs/dbraw/zinc/98/30/26/1032983026.db2.gz SJZNGURELBFDNL-HGJUEJDCSA-N 2 0 310.485 3.960 20 0 DHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000850422684 1021524001 /nfs/dbraw/zinc/52/40/01/1021524001.db2.gz ZSMPQHXZLUYWSN-CQSZACIVSA-N 2 0 316.489 3.971 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)CCCO2 ZINC000850440386 1021534841 /nfs/dbraw/zinc/53/48/41/1021534841.db2.gz WZYPPHSYAWHHEG-WBAXXEDZSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000850441515 1021535905 /nfs/dbraw/zinc/53/59/05/1021535905.db2.gz AUFFHINQNCTGPS-HNNXBMFYSA-N 2 0 316.489 3.925 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)CCCO2 ZINC000850474865 1021555078 /nfs/dbraw/zinc/55/50/78/1021555078.db2.gz RJTSCLAATWAEPB-OAHLLOKOSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000337428593 1032988613 /nfs/dbraw/zinc/98/86/13/1032988613.db2.gz XWCIQSDRVCWVEE-LJQANCHMSA-N 2 0 315.436 3.851 20 0 DHADRP CSCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063478 1032988496 /nfs/dbraw/zinc/98/84/96/1032988496.db2.gz ZROABENUDHUWSQ-BCDXTJNWSA-N 2 0 304.503 3.525 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CC2CSC2)C3)cc1 ZINC001172064586 1032988607 /nfs/dbraw/zinc/98/86/07/1032988607.db2.gz HWNVLLXYXKJFBZ-REPLKXPHSA-N 2 0 316.514 3.525 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC2)cc1C[NH+]1CCCCC1 ZINC000182312551 1021590779 /nfs/dbraw/zinc/59/07/79/1021590779.db2.gz UFTUZKHKEFEOPF-OAHLLOKOSA-N 2 0 302.462 3.742 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000850542250 1021595936 /nfs/dbraw/zinc/59/59/36/1021595936.db2.gz KGNYXOVUDLLSQO-VQIMIIECSA-N 2 0 315.505 3.645 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415011608 1021609936 /nfs/dbraw/zinc/60/99/36/1021609936.db2.gz WHQHMVODUUXLST-NHCUHLMSSA-N 2 0 322.496 3.948 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130074433 1021611162 /nfs/dbraw/zinc/61/11/62/1021611162.db2.gz BZKHFXYQAHAXGK-LSDHHAIUSA-N 2 0 306.416 3.819 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850584999 1021625065 /nfs/dbraw/zinc/62/50/65/1021625065.db2.gz UZAIFJHXFAYULP-HNNXBMFYSA-N 2 0 304.453 3.907 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093945915 1021701813 /nfs/dbraw/zinc/70/18/13/1021701813.db2.gz NVOGOLWGHVUMFP-MRXNPFEDSA-N 2 0 303.494 3.525 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000538201995 1033004669 /nfs/dbraw/zinc/00/46/69/1033004669.db2.gz FRCUAZLKDRWSLX-UHFFFAOYSA-N 2 0 304.453 3.612 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(-n2ccnc2)c1 ZINC000763439856 1021830490 /nfs/dbraw/zinc/83/04/90/1021830490.db2.gz GMYKSGJYXPQDEA-HNNXBMFYSA-N 2 0 319.408 3.753 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109193 1033010514 /nfs/dbraw/zinc/01/05/14/1033010514.db2.gz HSXHCHUZTUSOKS-FAJBIJEISA-N 2 0 313.489 3.610 20 0 DHADRP CC(C)c1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172112800 1033011913 /nfs/dbraw/zinc/01/19/13/1033011913.db2.gz CNDCGTIJJOFYNQ-OWZKRDHZSA-N 2 0 300.490 3.957 20 0 DHADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000556887279 1021924234 /nfs/dbraw/zinc/92/42/34/1021924234.db2.gz SOHWCDZIABJMJA-ZACQAIPSSA-N 2 0 322.880 3.701 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CCC(F)(F)CC1)C2 ZINC001172118781 1033026058 /nfs/dbraw/zinc/02/60/58/1033026058.db2.gz SQQZJORFDNEBNM-MUJYYYPQSA-N 2 0 300.437 3.807 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337487059 1033026689 /nfs/dbraw/zinc/02/66/89/1033026689.db2.gz SYKZBFYVSVXJCF-MRXNPFEDSA-N 2 0 318.509 3.771 20 0 DHADRP [NH3+]Cc1ccc2ncn(-c3cc[nH+]cc3-c3ccccc3)c2c1 ZINC001168847869 1022161313 /nfs/dbraw/zinc/16/13/13/1022161313.db2.gz LCWZWXHHYPMYJR-UHFFFAOYSA-N 2 0 300.365 3.546 20 0 DHADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCCCCC[NH3+])cc1F ZINC000852755722 1022172310 /nfs/dbraw/zinc/17/23/10/1022172310.db2.gz BHPASKHFIHMCQB-KRWDZBQOSA-N 2 0 308.441 3.880 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000852754484 1022172408 /nfs/dbraw/zinc/17/24/08/1022172408.db2.gz BKVGAIADJSEMAQ-UHFFFAOYSA-N 2 0 315.486 3.687 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CCCO2 ZINC000852782300 1022176188 /nfs/dbraw/zinc/17/61/88/1022176188.db2.gz IWWDMJSOTULPDO-MAUKXSAKSA-N 2 0 302.462 3.537 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172192498 1033037274 /nfs/dbraw/zinc/03/72/74/1033037274.db2.gz DNEZVJIQTSIRIH-KZNAEPCWSA-N 2 0 318.530 3.946 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172192496 1033037933 /nfs/dbraw/zinc/03/79/33/1033037933.db2.gz DNEZVJIQTSIRIH-KURKYZTESA-N 2 0 318.530 3.946 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[N@H+](C1)[C@@H]2C ZINC001169061735 1022236981 /nfs/dbraw/zinc/23/69/81/1022236981.db2.gz OEKVJQCEJQCNQS-AFYVEPGGSA-N 2 0 300.490 3.716 20 0 DHADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242042 1022241779 /nfs/dbraw/zinc/24/17/79/1022241779.db2.gz ZQDQAVOWMLJWTM-NVXWUHKLSA-N 2 0 304.453 3.907 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001169070308 1022242079 /nfs/dbraw/zinc/24/20/79/1022242079.db2.gz NDGSLPHVKKQXNU-AABGKKOBSA-N 2 0 300.490 3.527 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cccc(Cl)c1Cl)C2 ZINC001169096402 1022245567 /nfs/dbraw/zinc/24/55/67/1022245567.db2.gz WAFIHRUECQTZDL-BTTYYORXSA-N 2 0 313.272 3.751 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101309 1022246394 /nfs/dbraw/zinc/24/63/94/1022246394.db2.gz RBOXVOIROXSBKY-AKHDSKFASA-N 2 0 302.437 3.882 20 0 DHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H](Cc3ccccc3)CC(C)C)C[C@H]2C1 ZINC001169085913 1022254195 /nfs/dbraw/zinc/25/41/95/1022254195.db2.gz PTRACXHFMDAWHY-NJDAHSKKSA-N 2 0 314.517 3.917 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3cc(Cl)ccc31)C2 ZINC001169089345 1022256170 /nfs/dbraw/zinc/25/61/70/1022256170.db2.gz BYGSHUUUTJFVRR-MUJYYYPQSA-N 2 0 317.864 3.594 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC1CC1)c1cccc(F)c1)C2 ZINC001169119016 1022259515 /nfs/dbraw/zinc/25/95/15/1022259515.db2.gz OORKIZFTCBMJDD-RDGPPVDQSA-N 2 0 302.437 3.882 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(F)cc3)CCC1)C2 ZINC001169117079 1022259547 /nfs/dbraw/zinc/25/95/47/1022259547.db2.gz VOXZYDJXVJAUAB-NNZMDNLPSA-N 2 0 302.437 3.506 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H]3CC[C@@H](C3)[C@H]1c1ccccc1)C2 ZINC001169111372 1022270190 /nfs/dbraw/zinc/27/01/90/1022270190.db2.gz PIFYUFDIIIHFIE-LQDXZBFHSA-N 2 0 310.485 3.784 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(C(F)(F)F)cc31)C2 ZINC001169115755 1022270266 /nfs/dbraw/zinc/27/02/66/1022270266.db2.gz OGFNFKRTLKSPKC-PNBKFKSVSA-N 2 0 324.390 3.908 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142601 1022274187 /nfs/dbraw/zinc/27/41/87/1022274187.db2.gz DKSYJJHFHDMGLH-AJYBTWMASA-N 2 0 314.473 3.847 20 0 DHADRP CC1(C)C[C@@H](Nc2ccc(C3([NH3+])CC3)cc2)C[C@](C)(C[NH3+])C1 ZINC001169147132 1022276732 /nfs/dbraw/zinc/27/67/32/1022276732.db2.gz SMNUCWPVWOGAIA-AEFFLSMTSA-N 2 0 301.478 3.590 20 0 DHADRP CC1(C)C[C@@H](Nc2cc(OCC3CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169147518 1022277286 /nfs/dbraw/zinc/27/72/86/1022277286.db2.gz XIYYGYWFWHJMGL-BEFAXECRSA-N 2 0 317.477 3.826 20 0 DHADRP CC[NH+]1CCC([NH2+]CCCCCCCCCCCCO)CC1 ZINC001169229575 1022310537 /nfs/dbraw/zinc/31/05/37/1022310537.db2.gz BVTOBNZSHCWZNR-UHFFFAOYSA-N 2 0 312.542 3.954 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000268761587 1022376566 /nfs/dbraw/zinc/37/65/66/1022376566.db2.gz HOUXNGOGSYAVQJ-JQHSSLGASA-N 2 0 302.462 3.753 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925551266 1022385592 /nfs/dbraw/zinc/38/55/92/1022385592.db2.gz BKTWJDOQORZELU-UYAOXDASSA-N 3 0 317.521 3.711 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654943 1022386441 /nfs/dbraw/zinc/38/64/41/1022386441.db2.gz KBGVSQAKSZSJHO-WBVHZDCISA-N 2 0 306.881 3.648 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000155410815 1022396753 /nfs/dbraw/zinc/39/67/53/1022396753.db2.gz PCDAGCKXGMWGBV-CKEIUWERSA-N 2 0 306.881 3.690 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CCN(C2CC2)CC1 ZINC000237602902 1022457550 /nfs/dbraw/zinc/45/75/50/1022457550.db2.gz SCQYYNUQJPVBML-MRXNPFEDSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@@H]([NH2+]Cc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272165485 1022494857 /nfs/dbraw/zinc/49/48/57/1022494857.db2.gz GOBFDQXVRCJEDD-WBVHZDCISA-N 2 0 300.471 3.748 20 0 DHADRP C[C@H]1CCCCN1c1cccc(NC(C)(C)CC[NH+](C)C)[nH+]1 ZINC001169715778 1022517845 /nfs/dbraw/zinc/51/78/45/1022517845.db2.gz HYDRVIYLFNCDLT-HNNXBMFYSA-N 2 0 304.482 3.603 20 0 DHADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000660116453 1022524470 /nfs/dbraw/zinc/52/44/70/1022524470.db2.gz ZUGVDNWBEXPZSW-IJEWVQPXSA-N 2 0 300.437 3.617 20 0 DHADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660116451 1022525189 /nfs/dbraw/zinc/52/51/89/1022525189.db2.gz ZUGVDNWBEXPZSW-FMKPAKJESA-N 2 0 300.437 3.617 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000158181462 1022611587 /nfs/dbraw/zinc/61/15/87/1022611587.db2.gz YZYBGIKWEKXGKP-KKUMJFAQSA-N 2 0 317.502 3.720 20 0 DHADRP CC(C)=CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000660166146 1022615474 /nfs/dbraw/zinc/61/54/74/1022615474.db2.gz KGYUHIQPECGITK-UHFFFAOYSA-N 2 0 301.478 3.976 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482770 1022632410 /nfs/dbraw/zinc/63/24/10/1022632410.db2.gz AQFJWBQOVNXQMW-QAPCUYQASA-N 2 0 322.880 3.525 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000276683436 1022639626 /nfs/dbraw/zinc/63/96/26/1022639626.db2.gz QXIBAZLNUDYPTO-RCBQFDQVSA-N 2 0 312.379 3.983 20 0 DHADRP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000159118004 1022691057 /nfs/dbraw/zinc/69/10/57/1022691057.db2.gz MUVZGHZDONWMTG-KRWDZBQOSA-N 2 0 318.505 3.791 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334842 1022692238 /nfs/dbraw/zinc/69/22/38/1022692238.db2.gz RURYCOWXPYXXAN-MXASKKJJSA-N 2 0 304.503 3.847 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000767346352 1022692820 /nfs/dbraw/zinc/69/28/20/1022692820.db2.gz JHWUFDQLNNLHOK-SJORKVTESA-N 2 0 322.880 3.668 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000584826493 1022779644 /nfs/dbraw/zinc/77/96/44/1022779644.db2.gz PATXDKPIXKTQFG-UONOGXRCSA-N 2 0 310.869 3.731 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000584826490 1022780436 /nfs/dbraw/zinc/78/04/36/1022780436.db2.gz PATXDKPIXKTQFG-KBPBESRZSA-N 2 0 310.869 3.731 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000584826492 1022781159 /nfs/dbraw/zinc/78/11/59/1022781159.db2.gz PATXDKPIXKTQFG-KGLIPLIRSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H]([NH2+]CCOCc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000660239128 1022790254 /nfs/dbraw/zinc/79/02/54/1022790254.db2.gz OYYJRMBCABVUME-QGZVFWFLSA-N 2 0 321.424 3.740 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172318172 1033085011 /nfs/dbraw/zinc/08/50/11/1033085011.db2.gz ZRCGHSDGUGFYEW-MSOLQXFVSA-N 2 0 318.505 3.966 20 0 DHADRP FC1(F)C[C@H]1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000621767339 1022865799 /nfs/dbraw/zinc/86/57/99/1022865799.db2.gz CANDXVBQECYRHU-ZJPYXAASSA-N 2 0 320.427 3.817 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000159225296 1022872625 /nfs/dbraw/zinc/87/26/25/1022872625.db2.gz AWOHJNYHOFXUFT-SFHVURJKSA-N 2 0 318.505 3.763 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCCO2 ZINC000768094207 1022877898 /nfs/dbraw/zinc/87/78/98/1022877898.db2.gz URAFDEZPFPTTHK-OTWHNJEPSA-N 2 0 314.473 3.679 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000768225277 1022926873 /nfs/dbraw/zinc/92/68/73/1022926873.db2.gz YXRSIZWGNNZBAO-IVMQYODDSA-N 2 0 301.478 3.838 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414929731 1022930563 /nfs/dbraw/zinc/93/05/63/1022930563.db2.gz RYYGQFMPXDRRAB-WQVCFCJDSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000165337747 1022979214 /nfs/dbraw/zinc/97/92/14/1022979214.db2.gz VWNGQQAMWKZPHU-MJGOQNOKSA-N 2 0 300.490 3.719 20 0 DHADRP Cc1ccc(NCCC[N@H+]2CCCC[C@@H]2C)c(C[NH+](C)C)c1 ZINC001167755075 1023051984 /nfs/dbraw/zinc/05/19/84/1023051984.db2.gz ZUKRLIAGEULOQY-KRWDZBQOSA-N 2 0 303.494 3.733 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc([C@H]2CC[NH+](C)C2)cc1 ZINC001167755003 1023052814 /nfs/dbraw/zinc/05/28/14/1023052814.db2.gz YHILOEBDJFZSEH-HKUYNNGSSA-N 2 0 315.505 3.782 20 0 DHADRP C[C@H]1CCC[C@H](C)C1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215042 1023072462 /nfs/dbraw/zinc/07/24/62/1023072462.db2.gz HUPLSCFXFMUOPB-HOTGVXAUSA-N 2 0 301.478 3.712 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)c2ccccc2O1 ZINC000925678379 1023089080 /nfs/dbraw/zinc/08/90/80/1023089080.db2.gz DCMWVXFUSBVRJK-AYOQOUSVSA-N 2 0 310.441 3.969 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC000769483641 1023152290 /nfs/dbraw/zinc/15/22/90/1023152290.db2.gz RDYBZYQMVQCMRP-UHFFFAOYSA-N 2 0 307.441 3.862 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001172332526 1033117394 /nfs/dbraw/zinc/11/73/94/1033117394.db2.gz IKVMWJXKEUSLHU-DLBZAZTESA-N 2 0 304.478 3.530 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001172332527 1033118146 /nfs/dbraw/zinc/11/81/46/1033118146.db2.gz IKVMWJXKEUSLHU-IAGOWNOFSA-N 2 0 304.478 3.530 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001172336193 1033120427 /nfs/dbraw/zinc/12/04/27/1033120427.db2.gz MCQFOPYCTUFZIJ-SJORKVTESA-N 2 0 310.526 3.682 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652132599 1023339799 /nfs/dbraw/zinc/33/97/99/1023339799.db2.gz POVKUSSTWDPNKZ-SFHVURJKSA-N 2 0 303.494 3.880 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001172341089 1033125815 /nfs/dbraw/zinc/12/58/15/1033125815.db2.gz MMZLBPYNBZXWJT-DLBZAZTESA-N 2 0 310.526 3.634 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCOc1cccc(Cl)c1)C2 ZINC000660659977 1023367758 /nfs/dbraw/zinc/36/77/58/1023367758.db2.gz SBAPZVBEQZAPPT-SFHVURJKSA-N 2 0 322.880 3.527 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc2cnccc2o1 ZINC000651669802 1023437689 /nfs/dbraw/zinc/43/76/89/1023437689.db2.gz JSHGVJDTYJRATC-UHFFFAOYSA-N 2 0 323.440 3.959 20 0 DHADRP CCC1(CC)CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000651733285 1023506562 /nfs/dbraw/zinc/50/65/62/1023506562.db2.gz CAXJDIVFEMUYAA-MOPGFXCFSA-N 2 0 322.537 3.703 20 0 DHADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000651748629 1023518179 /nfs/dbraw/zinc/51/81/79/1023518179.db2.gz RWMDXKWHSKSOAD-MOPGFXCFSA-N 2 0 301.478 3.856 20 0 DHADRP C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cscn1 ZINC000661413231 1023592264 /nfs/dbraw/zinc/59/22/64/1023592264.db2.gz BZERRMSSVXKMFN-HNNXBMFYSA-N 2 0 315.486 3.980 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172368098 1033148385 /nfs/dbraw/zinc/14/83/85/1033148385.db2.gz NHUFHFREZFTWCC-MUDKKEKZSA-N 2 0 308.510 3.562 20 0 DHADRP C[C@@H]1CC[C@@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172371120 1033152221 /nfs/dbraw/zinc/15/22/21/1033152221.db2.gz WWTCJRMEIPUUGT-YKXHTNLXSA-N 2 0 315.505 3.978 20 0 DHADRP CCOCC[C@H](C)[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172414548 1033159512 /nfs/dbraw/zinc/15/95/12/1033159512.db2.gz QRDZBISHUWVZSW-SZMVWBNQSA-N 2 0 322.468 3.713 20 0 DHADRP Fc1ccccc1C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000652336942 1023796117 /nfs/dbraw/zinc/79/61/17/1023796117.db2.gz RYEXIEVFJRMKQJ-UHFFFAOYSA-N 2 0 310.416 3.636 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791718 1023892484 /nfs/dbraw/zinc/89/24/84/1023892484.db2.gz WIOKDIMMPASBRX-DZGCQCFKSA-N 2 0 309.523 3.603 20 0 DHADRP CCc1oc2ccccc2c1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245745598 1023893978 /nfs/dbraw/zinc/89/39/78/1023893978.db2.gz MOWOUIQXKLOBJY-GJZGRUSLSA-N 2 0 300.446 3.910 20 0 DHADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172384271 1033171361 /nfs/dbraw/zinc/17/13/61/1033171361.db2.gz VHLKDMLSWQESNY-HDMKZQKVSA-N 2 0 301.478 3.773 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(O)c1 ZINC000194956589 1024019920 /nfs/dbraw/zinc/01/99/20/1024019920.db2.gz XEOYHDNJFSZIPQ-HLLBOEOZSA-N 2 0 302.462 3.696 20 0 DHADRP Fc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662249168 1024029149 /nfs/dbraw/zinc/02/91/49/1024029149.db2.gz RKLIWVVPGBVDNY-HXUWFJFHSA-N 2 0 310.416 3.809 20 0 DHADRP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C)c1cccc(O)c1 ZINC000662253368 1024032571 /nfs/dbraw/zinc/03/25/71/1024032571.db2.gz UCNDESUQXWKCPO-OAHLLOKOSA-N 2 0 310.441 3.621 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000925760961 1024044779 /nfs/dbraw/zinc/04/47/79/1024044779.db2.gz VFEBKKACYDYWDL-INIZCTEOSA-N 2 0 320.502 3.826 20 0 DHADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662285037 1024066358 /nfs/dbraw/zinc/06/63/58/1024066358.db2.gz VCOBPJRWCVLNSK-BRSBDYLESA-N 2 0 308.510 3.564 20 0 DHADRP c1ccc2sc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000662295696 1024078349 /nfs/dbraw/zinc/07/83/49/1024078349.db2.gz WMDHEJSZGZPFHB-HNNXBMFYSA-N 2 0 315.486 3.508 20 0 DHADRP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297428 1024081172 /nfs/dbraw/zinc/08/11/72/1024081172.db2.gz PRHCWQRPSNXBRA-HIFRSBDPSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC001172469699 1033187571 /nfs/dbraw/zinc/18/75/71/1033187571.db2.gz VUHPLCCKMUHFOY-QUCCMNQESA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)COC2 ZINC000268765007 1024155934 /nfs/dbraw/zinc/15/59/34/1024155934.db2.gz IVLZONKWSFUAMF-KRWDZBQOSA-N 2 0 316.489 3.880 20 0 DHADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876947750 1033190090 /nfs/dbraw/zinc/19/00/90/1033190090.db2.gz GDVHMLILGJGXET-LHSJRXKWSA-N 2 0 318.442 3.562 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663343926 1024171959 /nfs/dbraw/zinc/17/19/59/1024171959.db2.gz KAUJNSKAAWYNGI-MPXGXIRNSA-N 2 0 320.427 3.690 20 0 DHADRP Fc1c(Cl)cccc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346243 1024176207 /nfs/dbraw/zinc/17/62/07/1024176207.db2.gz ROPGQFBJTKIWHN-AWEZNQCLSA-N 2 0 310.844 3.691 20 0 DHADRP CC[C@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663346587 1024179164 /nfs/dbraw/zinc/17/91/64/1024179164.db2.gz WBIZZWXORDSCND-RTBURBONSA-N 2 0 300.490 3.892 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000268859501 1024182699 /nfs/dbraw/zinc/18/26/99/1024182699.db2.gz FMAJNDJJNNJFHZ-APWZRJJASA-N 2 0 318.530 3.630 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000268885329 1024186086 /nfs/dbraw/zinc/18/60/86/1024186086.db2.gz FUWRDWZNAGKJJG-ZDUSSCGKSA-N 2 0 300.393 3.589 20 0 DHADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cncc(F)c1 ZINC000268899490 1024190683 /nfs/dbraw/zinc/19/06/83/1024190683.db2.gz LWIQLHGAZGFTIU-INIZCTEOSA-N 2 0 307.457 3.918 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3c2cccc3OC)c1 ZINC000268925114 1024195483 /nfs/dbraw/zinc/19/54/83/1024195483.db2.gz RJZINFMZSGUMIK-FQEVSTJZSA-N 2 0 324.468 3.924 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000268991393 1024213972 /nfs/dbraw/zinc/21/39/72/1024213972.db2.gz JUBZLOVXHOFYKI-HNNXBMFYSA-N 2 0 302.462 3.753 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000269030400 1024225705 /nfs/dbraw/zinc/22/57/05/1024225705.db2.gz ROSNVZHDHYHICG-GFCCVEGCSA-N 2 0 304.356 3.578 20 0 DHADRP c1cc2c(cc[nH+]c2NCc2cccc(C[NH+]3CCCC3)c2)[nH]1 ZINC000663383379 1024245817 /nfs/dbraw/zinc/24/58/17/1024245817.db2.gz DDOBEUPWWBEKPQ-UHFFFAOYSA-N 2 0 306.413 3.771 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCn2ccnc2)cc1Cl ZINC000531684099 1024270076 /nfs/dbraw/zinc/27/00/76/1024270076.db2.gz ROJHMADYQWWGNR-ZDUSSCGKSA-N 2 0 307.825 3.676 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000068691795 1024272601 /nfs/dbraw/zinc/27/26/01/1024272601.db2.gz GNAPZOQGABTRID-CYBMUJFWSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000531685450 1024272834 /nfs/dbraw/zinc/27/28/34/1024272834.db2.gz OVSUAAUYWHEIJG-PKOBYXMFSA-N 2 0 300.490 3.818 20 0 DHADRP C[NH+](C)Cc1ccc(-c2cnccc2C[NH+]2CCCCC2)cc1 ZINC001204661080 1024276719 /nfs/dbraw/zinc/27/67/19/1024276719.db2.gz RGFSEEYAENGICE-UHFFFAOYSA-N 2 0 309.457 3.796 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168359649 1033198892 /nfs/dbraw/zinc/19/88/92/1033198892.db2.gz DIMYDKFTGRNLPE-SFHVURJKSA-N 2 0 304.865 3.791 20 0 DHADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883207160 1024288011 /nfs/dbraw/zinc/28/80/11/1024288011.db2.gz HHUDRBMIGWCMRD-APWZRJJASA-N 2 0 313.489 3.919 20 0 DHADRP COc1ccc([C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccc2)cc1 ZINC000643456749 1024292725 /nfs/dbraw/zinc/29/27/25/1024292725.db2.gz VDHUAGZPCYCEOX-VFIGECHUSA-N 2 0 324.468 3.892 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccncn1 ZINC000453059705 1024310069 /nfs/dbraw/zinc/31/00/69/1024310069.db2.gz MYWHSGGYJCUQDO-DLBZAZTESA-N 2 0 324.472 3.702 20 0 DHADRP Cc1nccn1CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000165628246 1024361382 /nfs/dbraw/zinc/36/13/82/1024361382.db2.gz HEXHBLFZCFFEEF-LBPRGKRZSA-N 2 0 322.250 3.695 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000453173082 1024382589 /nfs/dbraw/zinc/38/25/89/1024382589.db2.gz YNBAGMCLFNIPSW-OKZBNKHCSA-N 2 0 322.518 3.557 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000883356658 1024401420 /nfs/dbraw/zinc/40/14/20/1024401420.db2.gz RWDMJKMQLPILQQ-NZSAHSFTSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000663467106 1024409755 /nfs/dbraw/zinc/40/97/55/1024409755.db2.gz ZOXIAUUMHIRHLW-NRSFXHEJSA-N 2 0 318.530 3.952 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663467726 1024415170 /nfs/dbraw/zinc/41/51/70/1024415170.db2.gz HLCJVLIUPHBLQC-WBMJQRKESA-N 2 0 307.507 3.533 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453237059 1024418378 /nfs/dbraw/zinc/41/83/78/1024418378.db2.gz MARSDSIBCPUVQX-YJGITHLRSA-N 2 0 316.464 3.910 20 0 DHADRP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468292 1024419533 /nfs/dbraw/zinc/41/95/33/1024419533.db2.gz LJSCWBAEAFUFLR-HNAYVOBHSA-N 2 0 302.437 3.525 20 0 DHADRP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663471788 1024426636 /nfs/dbraw/zinc/42/66/36/1024426636.db2.gz YFPSYIJHAVFCAJ-DNVCBOLYSA-N 2 0 318.892 3.519 20 0 DHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663471790 1024428023 /nfs/dbraw/zinc/42/80/23/1024428023.db2.gz YFPSYIJHAVFCAJ-KXBFYZLASA-N 2 0 318.892 3.519 20 0 DHADRP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663471789 1024427927 /nfs/dbraw/zinc/42/79/27/1024427927.db2.gz YFPSYIJHAVFCAJ-HNAYVOBHSA-N 2 0 318.892 3.519 20 0 DHADRP COc1ccc(C[N@H+](CCn2ccnc2C)[C@@H](C)C2CC2)cc1 ZINC000270903068 1024436176 /nfs/dbraw/zinc/43/61/76/1024436176.db2.gz ZZYDGQHZRKWVMY-HNNXBMFYSA-N 2 0 313.445 3.501 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCCN(c3[nH+]ccc4[nH]ccc43)C2)CC1 ZINC000663482947 1024454160 /nfs/dbraw/zinc/45/41/60/1024454160.db2.gz WPESPPLUQCTNHB-INIZCTEOSA-N 2 0 312.461 3.511 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000166084296 1024454679 /nfs/dbraw/zinc/45/46/79/1024454679.db2.gz NTCNAKZHAGJRSQ-YKTARERQSA-N 2 0 304.478 3.507 20 0 DHADRP Cc1ccc2c(cccc2Nc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC001212796387 1024485724 /nfs/dbraw/zinc/48/57/24/1024485724.db2.gz XPKIOAFLPQFPFU-UHFFFAOYSA-N 2 0 320.396 3.518 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453366659 1024489239 /nfs/dbraw/zinc/48/92/39/1024489239.db2.gz MEHZVMXVRLEJMY-MISYRCLQSA-N 2 0 320.521 3.532 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499515 1024492370 /nfs/dbraw/zinc/49/23/70/1024492370.db2.gz XVIHIQYTLBLNTN-KDFVVIITSA-N 2 0 324.390 3.683 20 0 DHADRP Clc1cccc(CC2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453379131 1024497101 /nfs/dbraw/zinc/49/71/01/1024497101.db2.gz QKRUATIPINIGQF-SJORKVTESA-N 2 0 304.865 3.632 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCCO2 ZINC000453401040 1024499011 /nfs/dbraw/zinc/49/90/11/1024499011.db2.gz MPWSKDPVZRFNCK-GOSISDBHSA-N 2 0 302.462 3.673 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@@H](C)C1 ZINC000453405001 1024501300 /nfs/dbraw/zinc/50/13/00/1024501300.db2.gz SHHWPIDGEAPSQI-HKUYNNGSSA-N 2 0 322.537 3.850 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1OC ZINC000453403294 1024501856 /nfs/dbraw/zinc/50/18/56/1024501856.db2.gz ODEOZUIFSLWSIK-OAHLLOKOSA-N 2 0 320.477 3.537 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001167826995 1024504504 /nfs/dbraw/zinc/50/45/04/1024504504.db2.gz STUHWKXXHOQLBU-GPJFCIFZSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)O1 ZINC000453413356 1024505116 /nfs/dbraw/zinc/50/51/16/1024505116.db2.gz RQYDUMZPSQBGJZ-WQUXRXDGSA-N 2 0 316.489 3.587 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001167827160 1024506149 /nfs/dbraw/zinc/50/61/49/1024506149.db2.gz UFTHWOKYGHYCPN-ROUUACIJSA-N 2 0 303.494 3.772 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Br)ccc1F ZINC000211897682 1024508911 /nfs/dbraw/zinc/50/89/11/1024508911.db2.gz YUPLVQHODNNKBK-NSHDSACASA-N 2 0 317.246 3.581 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000453397763 1024512885 /nfs/dbraw/zinc/51/28/85/1024512885.db2.gz JWVBXFLKEKOSJY-RBUKOAKNSA-N 2 0 304.453 3.926 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001167827517 1024513932 /nfs/dbraw/zinc/51/39/32/1024513932.db2.gz XBEHIXFFEIMKHH-PKOBYXMFSA-N 2 0 303.494 3.599 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(CC)C(C)C)[C@H](C)C1 ZINC000453454325 1024521248 /nfs/dbraw/zinc/52/12/48/1024521248.db2.gz TWSSVWYSNOJDCX-FCGDIQPGSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000532204915 1024575587 /nfs/dbraw/zinc/57/55/87/1024575587.db2.gz LLVLJUUFFNNIMN-CJNGLKHVSA-N 2 0 314.395 3.710 20 0 DHADRP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000532235240 1024586933 /nfs/dbraw/zinc/58/69/33/1024586933.db2.gz SPNMIQTWTYHJMS-VQTJNVASSA-N 2 0 316.489 3.678 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)C[C@@H](OC)c1ccccc1 ZINC000283267262 1024616645 /nfs/dbraw/zinc/61/66/45/1024616645.db2.gz VKSZHNQHYGOCFE-GOSISDBHSA-N 2 0 315.461 3.545 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCCC1 ZINC000390895881 1024617310 /nfs/dbraw/zinc/61/73/10/1024617310.db2.gz PLFGIAIYWMBDCU-KXBFYZLASA-N 2 0 311.473 3.867 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)N1CC[N@@H+](C2CCCCC2)[C@@H](C)C1 ZINC001167836257 1024623128 /nfs/dbraw/zinc/62/31/28/1024623128.db2.gz YMFFORSPZJOJEN-OALUTQOASA-N 2 0 323.569 3.836 20 0 DHADRP COCCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000282037792 1024629251 /nfs/dbraw/zinc/62/92/51/1024629251.db2.gz ULKCJOHHJKLRQP-APWZRJJASA-N 2 0 322.468 3.615 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000648438905 1024645690 /nfs/dbraw/zinc/64/56/90/1024645690.db2.gz OKPUUOMZZZJVON-SJORKVTESA-N 2 0 322.518 3.507 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1cccc(OC)c1OC ZINC001167841013 1024651841 /nfs/dbraw/zinc/65/18/41/1024651841.db2.gz JKFHFYIVBJLKHO-INIZCTEOSA-N 2 0 322.493 3.646 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCC(C)(C)O2)CC1 ZINC001167841896 1024663505 /nfs/dbraw/zinc/66/35/05/1024663505.db2.gz UDZFKSKHXJRIPW-KRWDZBQOSA-N 2 0 310.526 3.921 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001170174890 1024679533 /nfs/dbraw/zinc/67/95/33/1024679533.db2.gz FXDDHZDDCBVQJF-IEBWSBKVSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CCO1 ZINC001170189966 1024687099 /nfs/dbraw/zinc/68/70/99/1024687099.db2.gz CNEBPBMCXJKLTE-DLBZAZTESA-N 2 0 322.880 3.547 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001170195291 1024696080 /nfs/dbraw/zinc/69/60/80/1024696080.db2.gz SUGGQZOCYVOVQH-VQTJNVASSA-N 2 0 300.490 3.915 20 0 DHADRP CC[C@@H]1C[C@@H]([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CCO1 ZINC001170240160 1024706307 /nfs/dbraw/zinc/70/63/07/1024706307.db2.gz OTDYECYLBWCSJH-VQTJNVASSA-N 2 0 322.537 3.778 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(Cl)s1 ZINC000349601906 1024731391 /nfs/dbraw/zinc/73/13/91/1024731391.db2.gz TZDULCSZWWCGSG-LBPRGKRZSA-N 2 0 301.887 3.541 20 0 DHADRP C[C@@H]([NH2+]CC1(Cc2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000666154642 1024735486 /nfs/dbraw/zinc/73/54/86/1024735486.db2.gz AQVMLEGHLYGPEF-OAHLLOKOSA-N 2 0 320.908 3.983 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)cc1 ZINC000350277406 1024802529 /nfs/dbraw/zinc/80/25/29/1024802529.db2.gz FFLFPGPCIIFCAF-UHFFFAOYSA-N 2 0 312.457 3.779 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350511434 1024823576 /nfs/dbraw/zinc/82/35/76/1024823576.db2.gz KNASLUVWJGJERO-LEWJYISDSA-N 2 0 323.484 3.562 20 0 DHADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000877113975 1033243104 /nfs/dbraw/zinc/24/31/04/1033243104.db2.gz IWAPFMSVOCCPPA-ZJRDLVKKSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000877113974 1033244031 /nfs/dbraw/zinc/24/40/31/1033244031.db2.gz IWAPFMSVOCCPPA-PGYGNJIDSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)(C)c1ncc(CNC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000059181027 1024947609 /nfs/dbraw/zinc/94/76/09/1024947609.db2.gz TUSXCOYUGRCXOB-UHFFFAOYSA-N 2 0 309.523 3.793 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000348314021 1024954813 /nfs/dbraw/zinc/95/48/13/1024954813.db2.gz HBVORGITSYBTJO-BMHOQUIDSA-N 2 0 304.453 3.910 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]CC3(C)CCC3)cc2)C[C@@H](C)O1 ZINC000434777048 1024956943 /nfs/dbraw/zinc/95/69/43/1024956943.db2.gz SOBPFONSODJTCL-IAGOWNOFSA-N 2 0 316.489 3.576 20 0 DHADRP CCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000353136061 1024959978 /nfs/dbraw/zinc/95/99/78/1024959978.db2.gz JKEBNGWEMNHIDN-YTQUADARSA-N 2 0 301.478 3.572 20 0 DHADRP F[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000348318788 1025025260 /nfs/dbraw/zinc/02/52/60/1025025260.db2.gz FZEKFRLHUYYUGF-JKHFOPOESA-N 2 0 302.437 3.662 20 0 DHADRP Fc1ccc([C@@H](C[C@H]2CCCO2)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000353387970 1025051863 /nfs/dbraw/zinc/05/18/63/1025051863.db2.gz PBRFHADABHQZLL-RTBURBONSA-N 2 0 320.452 3.511 20 0 DHADRP C[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1cccnc1Cl ZINC000120881417 1025062518 /nfs/dbraw/zinc/06/25/18/1025062518.db2.gz UKWGWZRPPQBFSV-LBPRGKRZSA-N 2 0 321.827 3.787 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000539055402 1033257876 /nfs/dbraw/zinc/25/78/76/1033257876.db2.gz TUYBRSVCYDVRQV-NUEKZKHPSA-N 2 0 310.869 3.570 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000648496105 1025089804 /nfs/dbraw/zinc/08/98/04/1025089804.db2.gz OGKBVHNUQHNQRS-MOPGFXCFSA-N 2 0 304.478 3.574 20 0 DHADRP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000321664225 1025116756 /nfs/dbraw/zinc/11/67/56/1025116756.db2.gz RGVRCGXNSVZKLH-FFZOFVMBSA-N 2 0 316.489 3.543 20 0 DHADRP CSC1(C[NH2+][C@H](CC(C)C)c2ccccn2)CC[NH+](C)CC1 ZINC000353653308 1025178520 /nfs/dbraw/zinc/17/85/20/1025178520.db2.gz YKRHARXMKHQLTQ-QGZVFWFLSA-N 2 0 321.534 3.586 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000279741886 1025206112 /nfs/dbraw/zinc/20/61/12/1025206112.db2.gz PADUPXHRCXQKPJ-OXQOHEQNSA-N 2 0 312.457 3.614 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000279741884 1025207483 /nfs/dbraw/zinc/20/74/83/1025207483.db2.gz PADUPXHRCXQKPJ-JXFKEZNVSA-N 2 0 312.457 3.614 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(SC)c(OC)c2)C[C@H]1C ZINC000353751269 1025234746 /nfs/dbraw/zinc/23/47/46/1025234746.db2.gz XKZVWPSFXVHCHB-ZBFHGGJFSA-N 2 0 322.518 3.722 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044517311 1025256044 /nfs/dbraw/zinc/25/60/44/1025256044.db2.gz YLIUBWPHEPDRFJ-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[C@H](CCc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000320260530 1025288608 /nfs/dbraw/zinc/28/86/08/1025288608.db2.gz CHLIKQWJIYWMGY-QGZVFWFLSA-N 2 0 309.457 3.661 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2ccc3c(N)cc[nH+]c3c2)CC1(C)C ZINC001170451386 1025298744 /nfs/dbraw/zinc/29/87/44/1025298744.db2.gz LKFIDNBMKAZQJN-UHFFFAOYSA-N 2 0 312.461 3.880 20 0 DHADRP c1coc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000354032553 1025329602 /nfs/dbraw/zinc/32/96/02/1025329602.db2.gz BSTJHDHENYOYSG-UHFFFAOYSA-N 2 0 310.441 3.768 20 0 DHADRP Fc1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000124367093 1025332775 /nfs/dbraw/zinc/33/27/75/1025332775.db2.gz CJMPUSSJSKCARG-HRAATJIYSA-N 2 0 324.443 3.989 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000539094279 1033275986 /nfs/dbraw/zinc/27/59/86/1033275986.db2.gz UYHAINYUUPABIO-SCLBCKFNSA-N 2 0 304.453 3.912 20 0 DHADRP Cc1cc(F)c(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000925873718 1025388424 /nfs/dbraw/zinc/38/84/24/1025388424.db2.gz CSKDCDKXWODZNI-GOSISDBHSA-N 2 0 304.384 3.843 20 0 DHADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123613465 1025392960 /nfs/dbraw/zinc/39/29/60/1025392960.db2.gz YHEVPTDGEQDXQE-LSDHHAIUSA-N 2 0 301.409 3.575 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cs1 ZINC000925881041 1025427885 /nfs/dbraw/zinc/42/78/85/1025427885.db2.gz FMLGXMPCAVMDSE-JCGIZDLHSA-N 2 0 300.471 3.766 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCC1 ZINC000886062482 1025460803 /nfs/dbraw/zinc/46/08/03/1025460803.db2.gz PXTNUKVLXLARLN-QZTJIDSGSA-N 2 0 308.510 3.722 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000125293817 1025465866 /nfs/dbraw/zinc/46/58/66/1025465866.db2.gz UGJRXTAWXITCCP-KRWDZBQOSA-N 2 0 322.880 3.875 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000125740611 1025489618 /nfs/dbraw/zinc/48/96/18/1025489618.db2.gz NKZSGUDNBOEKCI-DZGCQCFKSA-N 2 0 309.523 3.785 20 0 DHADRP C[NH+](C)CCOc1cccc(Nc2ccccc2-n2ccnc2)c1 ZINC001212806997 1025490286 /nfs/dbraw/zinc/49/02/86/1025490286.db2.gz FSYVTIAVBVXFDS-UHFFFAOYSA-N 2 0 322.412 3.556 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000125922297 1025496883 /nfs/dbraw/zinc/49/68/83/1025496883.db2.gz NVCBHOGCSAUNLR-CABCVRRESA-N 2 0 307.507 3.539 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C)OCc2ccccc2)C[C@@H]1C ZINC000354865670 1025526843 /nfs/dbraw/zinc/52/68/43/1025526843.db2.gz VSQRFPXIRGCUGQ-BJLQDIEVSA-N 2 0 318.505 3.786 20 0 DHADRP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1CCC2 ZINC000355217255 1025641865 /nfs/dbraw/zinc/64/18/65/1025641865.db2.gz GGEZVLYDFLCPBQ-CTNGQTDRSA-N 2 0 310.485 3.624 20 0 DHADRP C[C@@H](CCc1ccco1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886491994 1025649483 /nfs/dbraw/zinc/64/94/83/1025649483.db2.gz ZCIXKFHZFMXASM-MUYFXNHWSA-N 2 0 304.478 3.987 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886543650 1025691122 /nfs/dbraw/zinc/69/11/22/1025691122.db2.gz RYEPGHVSJPGGRJ-QGLXBCBXSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886559065 1025707318 /nfs/dbraw/zinc/70/73/18/1025707318.db2.gz ZGEXEPFZPNSHCW-AGYKMIKPSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000359872586 1025725372 /nfs/dbraw/zinc/72/53/72/1025725372.db2.gz PFYFFRYPWZODLW-RDJZCZTQSA-N 2 0 321.534 3.708 20 0 DHADRP CO[C@](C)([C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886624843 1025748876 /nfs/dbraw/zinc/74/88/76/1025748876.db2.gz BGUIRWRLFVPTME-GWFLUQINSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cnc(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c(C)c1 ZINC000886633507 1025751801 /nfs/dbraw/zinc/75/18/01/1025751801.db2.gz XGFCHBMXHXRXSG-UHFFFAOYSA-N 2 0 315.505 3.628 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000806167563 1025825423 /nfs/dbraw/zinc/82/54/23/1025825423.db2.gz AAHYXSRGLTXJSP-BPIHKTFHSA-N 2 0 316.489 3.792 20 0 DHADRP CSc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000356128671 1025956967 /nfs/dbraw/zinc/95/69/67/1025956967.db2.gz AENXUXBOPHUTOK-AWEZNQCLSA-N 2 0 310.532 3.920 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195133012 1025991165 /nfs/dbraw/zinc/99/11/65/1025991165.db2.gz DOLWSYTZGIYOTR-IEBWSBKVSA-N 2 0 309.457 3.563 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000237543548 1026017142 /nfs/dbraw/zinc/01/71/42/1026017142.db2.gz JPCVDFSTNMTBHG-WWNBULGVSA-N 2 0 316.489 3.574 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000666743500 1026022161 /nfs/dbraw/zinc/02/21/61/1026022161.db2.gz YJSHQDONFZARRE-HOCLYGCPSA-N 2 0 307.507 3.798 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000666743501 1026023001 /nfs/dbraw/zinc/02/30/01/1026023001.db2.gz YJSHQDONFZARRE-ZBFHGGJFSA-N 2 0 307.507 3.798 20 0 DHADRP CSC1(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCC1 ZINC000356430805 1026048903 /nfs/dbraw/zinc/04/89/03/1026048903.db2.gz RYPNCYZTSHJLAF-UHFFFAOYSA-N 2 0 306.519 3.902 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261725549 1026105683 /nfs/dbraw/zinc/10/56/83/1026105683.db2.gz RCWIFVKUZBFVOR-NHCUHLMSSA-N 2 0 323.484 3.763 20 0 DHADRP C[C@H]1C[C@H](N(C)Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000093645116 1026117842 /nfs/dbraw/zinc/11/78/42/1026117842.db2.gz KCWTVKWRKNVBQV-SMDDNHRTSA-N 2 0 318.358 3.759 20 0 DHADRP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647790136 1026125545 /nfs/dbraw/zinc/12/55/45/1026125545.db2.gz RYBZBABHIWFBJX-LHHMISFZSA-N 2 0 302.462 3.514 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)s1 ZINC000122274194 1026180114 /nfs/dbraw/zinc/18/01/14/1026180114.db2.gz SOGICMOAUJCEIO-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000052208729 1026259351 /nfs/dbraw/zinc/25/93/51/1026259351.db2.gz YXLPBINCXCQWMQ-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000289985458 1026266109 /nfs/dbraw/zinc/26/61/09/1026266109.db2.gz YAKQOXOFJADZGV-GJZGRUSLSA-N 2 0 308.466 3.562 20 0 DHADRP Cc1cnc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000357011907 1026274225 /nfs/dbraw/zinc/27/42/25/1026274225.db2.gz VBMAFOUNVXHCPO-MRXNPFEDSA-N 2 0 305.466 3.632 20 0 DHADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167925601 1026279933 /nfs/dbraw/zinc/27/99/33/1026279933.db2.gz CQNNRMNQSAIFTD-ZMMAXQRCSA-N 2 0 314.473 3.755 20 0 DHADRP CCCCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000808719009 1026367024 /nfs/dbraw/zinc/36/70/24/1026367024.db2.gz RZVWFOOKQWGBKQ-KRWDZBQOSA-N 2 0 311.558 3.597 20 0 DHADRP Cc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000513488554 1026521141 /nfs/dbraw/zinc/52/11/41/1026521141.db2.gz XGCJGTUENMGUTE-ICSRJNTNSA-N 2 0 323.484 3.780 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000513656534 1026550880 /nfs/dbraw/zinc/55/08/80/1026550880.db2.gz UVXAFUJZCYACAO-ACRUOGEOSA-N 2 0 324.468 3.681 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000513702489 1026693463 /nfs/dbraw/zinc/69/34/63/1026693463.db2.gz JPDMOJMBNBACHE-UHFFFAOYSA-N 2 0 316.489 3.970 20 0 DHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000420282411 1026798604 /nfs/dbraw/zinc/79/86/04/1026798604.db2.gz BKDWIMIHRSGYBL-CYBMUJFWSA-N 2 0 310.869 3.686 20 0 DHADRP c1ccc2sc([C@@H]3CCC[N@H+]3CC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000420311484 1026800114 /nfs/dbraw/zinc/80/01/14/1026800114.db2.gz WAHWWDSSYZHSRW-ZBFHGGJFSA-N 2 0 315.486 3.823 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC000420328373 1026805844 /nfs/dbraw/zinc/80/58/44/1026805844.db2.gz ZGPBULHGURVEDE-GHTZIAJQSA-N 2 0 324.468 3.883 20 0 DHADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329550 1026805939 /nfs/dbraw/zinc/80/59/39/1026805939.db2.gz OQTQBCBOJPFDAA-PMUMKWKESA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420326760 1026806582 /nfs/dbraw/zinc/80/65/82/1026806582.db2.gz XPHBDTCEFIEGIB-RYUDHWBXSA-N 2 0 301.261 3.986 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([C@H]3CCC[NH2+]3)CC1)CCC2 ZINC000420334180 1026807492 /nfs/dbraw/zinc/80/74/92/1026807492.db2.gz ITSREQHUQOJBFI-MOPGFXCFSA-N 2 0 302.437 3.667 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420387456 1026811840 /nfs/dbraw/zinc/81/18/40/1026811840.db2.gz VWGZZNYMRKJCNG-BVGQSLNGSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420391932 1026812886 /nfs/dbraw/zinc/81/28/86/1026812886.db2.gz OVPHRJDPYCVOKQ-BVGQSLNGSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@@H](c1cccc(Br)c1)[N@H+](C)CCCCCC[NH3+] ZINC000710756983 1026949964 /nfs/dbraw/zinc/94/99/64/1026949964.db2.gz ARBSTRLGYODKNS-ZDUSSCGKSA-N 2 0 313.283 3.961 20 0 DHADRP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc(C2CC2)c1 ZINC000421345046 1026957250 /nfs/dbraw/zinc/95/72/50/1026957250.db2.gz VZQMYBVMVNXCLN-UHFFFAOYSA-N 2 0 321.468 3.965 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000421371205 1026967534 /nfs/dbraw/zinc/96/75/34/1026967534.db2.gz KQFVKRHFWZSTTG-UHFFFAOYSA-N 2 0 317.864 3.851 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000421377819 1026970302 /nfs/dbraw/zinc/97/03/02/1026970302.db2.gz ULKLJJVGFUVUIW-UHFFFAOYSA-N 2 0 301.261 3.956 20 0 DHADRP Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1C(F)(F)F ZINC000421377355 1026970762 /nfs/dbraw/zinc/97/07/62/1026970762.db2.gz RIKUGJDILURLAA-UHFFFAOYSA-N 2 0 314.395 3.976 20 0 DHADRP CSc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000811500435 1027013998 /nfs/dbraw/zinc/01/39/98/1027013998.db2.gz CDEJCHOKGNUZKP-UHFFFAOYSA-N 2 0 310.532 3.778 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000513753929 1027030960 /nfs/dbraw/zinc/03/09/60/1027030960.db2.gz HBDJOUVONDODDI-GRTSSRMGSA-N 2 0 312.404 3.811 20 0 DHADRP CC[NH+]1CCC(N[C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421816546 1027064070 /nfs/dbraw/zinc/06/40/70/1027064070.db2.gz QALSHPRUFKGFLL-SFHVURJKSA-N 2 0 308.441 3.605 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000421857753 1027068473 /nfs/dbraw/zinc/06/84/73/1027068473.db2.gz PSKWFYBRSTXQJA-KGLIPLIRSA-N 2 0 312.860 3.732 20 0 DHADRP COCCC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000421888072 1027079120 /nfs/dbraw/zinc/07/91/20/1027079120.db2.gz WMJFWJDDLJMMTN-ACBHZAAOSA-N 2 0 322.468 3.756 20 0 DHADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000931464674 1027132815 /nfs/dbraw/zinc/13/28/15/1027132815.db2.gz LYAJBJSCLSLEGW-PIIMJCKOSA-N 2 0 308.510 3.530 20 0 DHADRP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000572340621 1027195585 /nfs/dbraw/zinc/19/55/85/1027195585.db2.gz SQCFNHQJABNGQO-VQIMIIECSA-N 2 0 301.478 3.999 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000572653379 1027219362 /nfs/dbraw/zinc/21/93/62/1027219362.db2.gz KERACKDKPXATLV-RHSMWYFYSA-N 2 0 322.468 3.922 20 0 DHADRP c1cc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000572801336 1027232869 /nfs/dbraw/zinc/23/28/69/1027232869.db2.gz HMQGKYLRHXSQHP-FQEVSTJZSA-N 2 0 315.505 3.602 20 0 DHADRP CC1([NH3+])CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000647925432 1027238850 /nfs/dbraw/zinc/23/88/50/1027238850.db2.gz IJNLYUCDIUHGCL-UHFFFAOYSA-N 2 0 324.468 3.606 20 0 DHADRP CC(C)[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000573077869 1027260858 /nfs/dbraw/zinc/26/08/58/1027260858.db2.gz SGSOSYBATKMGNU-GGPKGHCWSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000573335038 1027282703 /nfs/dbraw/zinc/28/27/03/1027282703.db2.gz DPWMJFJGRLXORN-YOEHRIQHSA-N 2 0 314.404 3.930 20 0 DHADRP Fc1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422704410 1027296443 /nfs/dbraw/zinc/29/64/43/1027296443.db2.gz PPMRYIDYBJRAKH-JKWVGCSGSA-N 2 0 324.443 3.982 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000422710898 1027296943 /nfs/dbraw/zinc/29/69/43/1027296943.db2.gz LVXVREXGVZCXME-BEVDRBHNSA-N 2 0 309.457 3.836 20 0 DHADRP CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422703759 1027297371 /nfs/dbraw/zinc/29/73/71/1027297371.db2.gz ILNYCGXBXGUWTH-JMLCCBQJSA-N 2 0 322.468 3.726 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000422709669 1027297568 /nfs/dbraw/zinc/29/75/68/1027297568.db2.gz ZNPIFCLHIGOCIW-MHJFOBGBSA-N 2 0 312.432 3.969 20 0 DHADRP C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422762015 1027304945 /nfs/dbraw/zinc/30/49/45/1027304945.db2.gz NIRYZAMFDVHYLR-GBESFXJTSA-N 2 0 308.510 3.626 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000422736349 1027307343 /nfs/dbraw/zinc/30/73/43/1027307343.db2.gz WALQTMLXAWZUNL-BZUNDVKYSA-N 2 0 300.368 3.874 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422751584 1027309244 /nfs/dbraw/zinc/30/92/44/1027309244.db2.gz BOTIVTZATGJCLB-YNVMFWSZSA-N 2 0 314.473 3.658 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422742528 1027310195 /nfs/dbraw/zinc/31/01/95/1027310195.db2.gz QFLCTIWSYGAANA-MNOVXSKESA-N 2 0 319.449 3.516 20 0 DHADRP CN(CCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422745042 1027311640 /nfs/dbraw/zinc/31/16/40/1027311640.db2.gz XBLJYOVPKAZHQR-VQTJNVASSA-N 2 0 309.457 3.637 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422771818 1027314059 /nfs/dbraw/zinc/31/40/59/1027314059.db2.gz RNNFIVCEYAPUKG-RCCFBDPRSA-N 2 0 304.503 3.597 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCSCc2ccccc2F)c2ccccc21 ZINC000422773662 1027314446 /nfs/dbraw/zinc/31/44/46/1027314446.db2.gz UMCMNMSWFRYCMB-ZWKOTPCHSA-N 2 0 316.445 3.793 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422778902 1027318187 /nfs/dbraw/zinc/31/81/87/1027318187.db2.gz BCTSOTUIZKENEZ-MDZRGWNJSA-N 2 0 314.498 3.715 20 0 DHADRP CCC(CC)(CN[C@@H]1CCC[C@@H]1C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422773770 1027318907 /nfs/dbraw/zinc/31/89/07/1027318907.db2.gz ZECWQZOSKPRMJV-BHIYHBOVSA-N 2 0 317.521 3.613 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000422776756 1027319642 /nfs/dbraw/zinc/31/96/42/1027319642.db2.gz DVNKLLNHVIVPHR-XIKARTHZSA-N 2 0 311.267 3.617 20 0 DHADRP CC[C@H](C)[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(Cl)cc1 ZINC000422775626 1027320287 /nfs/dbraw/zinc/32/02/87/1027320287.db2.gz ATMRBBAFVCJFRI-RRQGHBQHSA-N 2 0 312.885 3.771 20 0 DHADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422795368 1027323002 /nfs/dbraw/zinc/32/30/02/1027323002.db2.gz VJRRFNJOBQLXFA-GSEOLPGOSA-N 2 0 316.489 3.663 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422796511 1027323446 /nfs/dbraw/zinc/32/34/46/1027323446.db2.gz JTYBYQZEMUSDPD-AFBMGJRZSA-N 2 0 302.368 3.803 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000422797953 1027325785 /nfs/dbraw/zinc/32/57/85/1027325785.db2.gz PFLFLDPFOMTCST-SJCJKPOMSA-N 2 0 301.459 3.712 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422801070 1027326462 /nfs/dbraw/zinc/32/64/62/1027326462.db2.gz BCGZXHSZBJQMFP-OUCADQQQSA-N 2 0 316.367 3.624 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422803937 1027328479 /nfs/dbraw/zinc/32/84/79/1027328479.db2.gz DOHTYCVHDYCMPM-MHTWAQMVSA-N 2 0 322.452 3.950 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422810351 1027332836 /nfs/dbraw/zinc/33/28/36/1027332836.db2.gz RQBSBDZTZDEEBK-LEAZDLGRSA-N 2 0 316.489 3.583 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422835368 1027335017 /nfs/dbraw/zinc/33/50/17/1027335017.db2.gz INVYQQBVLKZBPS-HNNXBMFYSA-N 2 0 310.441 3.506 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s2)cc1 ZINC000422831191 1027336452 /nfs/dbraw/zinc/33/64/52/1027336452.db2.gz WLXOLESUVZSVJT-CHWSQXEVSA-N 2 0 304.459 3.639 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])ccc1OC(C)C ZINC000422814484 1027337382 /nfs/dbraw/zinc/33/73/82/1027337382.db2.gz VCSRHRJBWHYTFH-CABCVRRESA-N 2 0 308.466 3.651 20 0 DHADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422815450 1027340570 /nfs/dbraw/zinc/34/05/70/1027340570.db2.gz BTJRECLWVNHMOW-JGGQBBKZSA-N 2 0 307.507 3.564 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422881449 1027347870 /nfs/dbraw/zinc/34/78/70/1027347870.db2.gz NPWIAYUDEBJARI-YSTOQKLRSA-N 3 0 321.553 3.541 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000573997799 1027348682 /nfs/dbraw/zinc/34/86/82/1027348682.db2.gz LTKQMAGREABUHE-WOJBJXKFSA-N 2 0 300.490 3.719 20 0 DHADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422875081 1027353012 /nfs/dbraw/zinc/35/30/12/1027353012.db2.gz BQWQQHRHBRAQGW-HOTGVXAUSA-N 2 0 323.912 3.582 20 0 DHADRP Fc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422905721 1027353558 /nfs/dbraw/zinc/35/35/58/1027353558.db2.gz IVOYXUQABYWTEX-CEXWTWQISA-N 2 0 304.453 3.659 20 0 DHADRP c1ccc([C@H]2C[C@H]([NH2+]Cc3cnc4ccccc4c3)CCN2)cc1 ZINC000422912569 1027356353 /nfs/dbraw/zinc/35/63/53/1027356353.db2.gz NIHTZXDCQXOVCU-TZIWHRDSSA-N 2 0 317.436 3.818 20 0 DHADRP CC(C)C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422907220 1027356476 /nfs/dbraw/zinc/35/64/76/1027356476.db2.gz LCRNAVMVQAJMRB-LRDDRELGSA-N 2 0 314.395 3.990 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422915087 1027358272 /nfs/dbraw/zinc/35/82/72/1027358272.db2.gz XATLBRCSVOFQLA-SFTDATJTSA-N 3 0 323.484 3.761 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422912782 1027358656 /nfs/dbraw/zinc/35/86/56/1027358656.db2.gz OASTUACGIBLRKV-GDBMZVCRSA-N 2 0 321.534 3.711 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000422932287 1027364780 /nfs/dbraw/zinc/36/47/80/1027364780.db2.gz YYYAJERGCGCNJF-OUCADQQQSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422926820 1027365996 /nfs/dbraw/zinc/36/59/96/1027365996.db2.gz XOVMJIBDSOTDIN-GPMSIDNRSA-N 2 0 301.478 3.613 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939780 1027367664 /nfs/dbraw/zinc/36/76/64/1027367664.db2.gz RSFRXQAIVCWQLE-KRWDZBQOSA-N 2 0 312.457 3.840 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000422940004 1027368279 /nfs/dbraw/zinc/36/82/79/1027368279.db2.gz MRQGIANOMLZWGH-VXGBXAGGSA-N 2 0 311.267 3.544 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422942260 1027368820 /nfs/dbraw/zinc/36/88/20/1027368820.db2.gz WHUAVANGOLQRMV-AGIUHOORSA-N 2 0 303.475 3.895 20 0 DHADRP CCOC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000574157044 1027369304 /nfs/dbraw/zinc/36/93/04/1027369304.db2.gz SOHQBWAMGYXQRM-SFHVURJKSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnoc2C2CC2)C1 ZINC000362752284 1027369997 /nfs/dbraw/zinc/36/99/97/1027369997.db2.gz FNHRMLCUTLZQSK-JKSUJKDBSA-N 2 0 317.477 3.638 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000422939776 1027369844 /nfs/dbraw/zinc/36/98/44/1027369844.db2.gz RSBSATYUEIMNHG-ABAIWWIYSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422946431 1027376226 /nfs/dbraw/zinc/37/62/26/1027376226.db2.gz WSVZTBLZBPVSHM-UTKZUKDTSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C3CC[NH2+]CC3)cc2)c1 ZINC000422951849 1027378726 /nfs/dbraw/zinc/37/87/26/1027378726.db2.gz AJUAPNYWWBMBIM-QGZVFWFLSA-N 2 0 324.468 3.977 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000422950168 1027379578 /nfs/dbraw/zinc/37/95/78/1027379578.db2.gz XGBFJOXKHQHFCK-KZULUSFZSA-N 2 0 315.848 3.840 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCc2ccncc2)CC1 ZINC000362775286 1027380855 /nfs/dbraw/zinc/38/08/55/1027380855.db2.gz OVNXNQQHLYMBHV-OAQYLSRUSA-N 2 0 323.484 3.611 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422999197 1027386550 /nfs/dbraw/zinc/38/65/50/1027386550.db2.gz DWUQUVSGAFNNCZ-HUUCEWRRSA-N 2 0 316.420 3.876 20 0 DHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423011735 1027390052 /nfs/dbraw/zinc/39/00/52/1027390052.db2.gz BLBGJFISCBXFQQ-FTNBBQJZSA-N 2 0 314.404 3.636 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000423024302 1027392584 /nfs/dbraw/zinc/39/25/84/1027392584.db2.gz JEJOULMSLOOCDQ-ZUEPYMLJSA-N 2 0 308.853 3.661 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000422995709 1027394396 /nfs/dbraw/zinc/39/43/96/1027394396.db2.gz YWAQTBIVRHRWMX-IFXJQAMLSA-N 2 0 309.457 3.922 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000423021332 1027394603 /nfs/dbraw/zinc/39/46/03/1027394603.db2.gz DYUVMFHERRRBAS-SGIREYDYSA-N 2 0 312.379 3.539 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423047724 1027394790 /nfs/dbraw/zinc/39/47/90/1027394790.db2.gz VOWBEEHIULQHNZ-DNOWBOINSA-N 2 0 314.395 3.744 20 0 DHADRP COc1ccc(F)cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000812756367 1027394998 /nfs/dbraw/zinc/39/49/98/1027394998.db2.gz ZDNFKSZSBLPLDD-UHFFFAOYSA-N 2 0 320.452 3.721 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423034449 1027397959 /nfs/dbraw/zinc/39/79/59/1027397959.db2.gz QCQJJJODQMVQAY-MAUKXSAKSA-N 2 0 307.441 3.512 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]1C ZINC000423040918 1027398951 /nfs/dbraw/zinc/39/89/51/1027398951.db2.gz VIBFFMKNKWQGIX-KRHOMKONSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423054939 1027399614 /nfs/dbraw/zinc/39/96/14/1027399614.db2.gz VRECQOWHINVFKI-IUODEOHRSA-N 2 0 312.860 3.734 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423043366 1027400587 /nfs/dbraw/zinc/40/05/87/1027400587.db2.gz ORLCKVXUOOWTPN-UMVBOHGHSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423057928 1027402922 /nfs/dbraw/zinc/40/29/22/1027402922.db2.gz INRLYRSEHLENLT-GHMZBOCLSA-N 2 0 318.358 3.592 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423063974 1027404215 /nfs/dbraw/zinc/40/42/15/1027404215.db2.gz QFKSALXVUULFON-CQSZACIVSA-N 2 0 310.432 3.884 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423055731 1027404869 /nfs/dbraw/zinc/40/48/69/1027404869.db2.gz WYCVOCYJEABKOB-HUUCEWRRSA-N 2 0 300.446 3.842 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000423113887 1027428191 /nfs/dbraw/zinc/42/81/91/1027428191.db2.gz UVWXOANRGJKPQS-NHYWBVRUSA-N 2 0 319.276 3.524 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423050286 1027406513 /nfs/dbraw/zinc/40/65/13/1027406513.db2.gz YWBRCOFLYDSFJT-QXAKKESOSA-N 2 0 302.437 3.869 20 0 DHADRP c1cnc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000423084794 1027410070 /nfs/dbraw/zinc/41/00/70/1027410070.db2.gz IXZMWMJLAJIIRG-YZGWKJHDSA-N 2 0 309.457 3.635 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423079524 1027410771 /nfs/dbraw/zinc/41/07/71/1027410771.db2.gz AMFLRHWXXSAGQC-UONOGXRCSA-N 2 0 313.272 3.885 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423096337 1027413327 /nfs/dbraw/zinc/41/33/27/1027413327.db2.gz HLEOWZAQUZASQK-WTKWOQBOSA-N 2 0 310.844 3.703 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423098533 1027414746 /nfs/dbraw/zinc/41/47/46/1027414746.db2.gz SCQIUBXCDNWTQZ-FDTVDDQNSA-N 2 0 310.844 3.645 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423092787 1027414776 /nfs/dbraw/zinc/41/47/76/1027414776.db2.gz DLNNBGWCYYRYPB-LVGQOLGVSA-N 2 0 302.437 3.582 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000423090835 1027415167 /nfs/dbraw/zinc/41/51/67/1027415167.db2.gz YLSBZCREFUEXCU-SFTDATJTSA-N 2 0 321.468 3.637 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099262 1027415505 /nfs/dbraw/zinc/41/55/05/1027415505.db2.gz LVAQDHAMANATJA-SMELUJQZSA-N 2 0 310.844 3.975 20 0 DHADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423095200 1027415570 /nfs/dbraw/zinc/41/55/70/1027415570.db2.gz LPJAHDAOENMBJO-BHWRABCJSA-N 2 0 320.427 3.721 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423150648 1027431248 /nfs/dbraw/zinc/43/12/48/1027431248.db2.gz BPBCMLKZYWNPAJ-GJZGRUSLSA-N 2 0 317.260 3.622 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000574799630 1027431451 /nfs/dbraw/zinc/43/14/51/1027431451.db2.gz WOYRVQKAUUQDDY-UHFFFAOYSA-N 2 0 303.494 3.520 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423149835 1027431946 /nfs/dbraw/zinc/43/19/46/1027431946.db2.gz XXVSNPJWYPOTTA-PBHICJAKSA-N 2 0 309.457 3.619 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423150649 1027432144 /nfs/dbraw/zinc/43/21/44/1027432144.db2.gz BPBCMLKZYWNPAJ-HUUCEWRRSA-N 2 0 317.260 3.622 20 0 DHADRP c1c2ccccc2sc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423138100 1027434291 /nfs/dbraw/zinc/43/42/91/1027434291.db2.gz SBSGBGWDKVKWFU-KSZLIROESA-N 2 0 314.498 3.954 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2([NH3+])CCCCC2)CC1 ZINC000423179297 1027442087 /nfs/dbraw/zinc/44/20/87/1027442087.db2.gz LTAHFJKJNNZRJL-UHFFFAOYSA-N 2 0 323.569 3.917 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)CCS2 ZINC000423208741 1027445245 /nfs/dbraw/zinc/44/52/45/1027445245.db2.gz DOENYMDHBRBUHE-HLLBOEOZSA-N 2 0 304.503 3.818 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423213356 1027449515 /nfs/dbraw/zinc/44/95/15/1027449515.db2.gz JVINKRYORGFARJ-SGMGOOAPSA-N 2 0 309.523 3.788 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423213078 1027450342 /nfs/dbraw/zinc/45/03/42/1027450342.db2.gz MVHDSAOLDIIJKI-XJKSGUPXSA-N 2 0 314.395 3.992 20 0 DHADRP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423197787 1027451746 /nfs/dbraw/zinc/45/17/46/1027451746.db2.gz BEASUQMKOGKDPP-MRXNPFEDSA-N 2 0 312.461 3.575 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423201629 1027451959 /nfs/dbraw/zinc/45/19/59/1027451959.db2.gz PFXMUXKDSIDSQK-CQSZACIVSA-N 2 0 319.449 3.526 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423205440 1027456505 /nfs/dbraw/zinc/45/65/05/1027456505.db2.gz VPWJMEMOLBIPAJ-CQSZACIVSA-N 2 0 319.449 3.526 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423240303 1027460320 /nfs/dbraw/zinc/46/03/20/1027460320.db2.gz CBVUGKHHXSNQPV-HECAZONMSA-N 2 0 316.489 3.552 20 0 DHADRP FC(F)(F)c1cccc(C2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)c1 ZINC000423218195 1027461744 /nfs/dbraw/zinc/46/17/44/1027461744.db2.gz UARAIIWZQMIVRI-MOQPWLNLSA-N 2 0 312.379 3.683 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423221240 1027461953 /nfs/dbraw/zinc/46/19/53/1027461953.db2.gz ZLZPPWRPMRJKOE-QRWLVFNGSA-N 2 0 312.457 3.889 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCS2 ZINC000423220921 1027463103 /nfs/dbraw/zinc/46/31/03/1027463103.db2.gz YWHGGBMYELMSKA-WFASDCNBSA-N 2 0 310.894 3.856 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000423262122 1027467803 /nfs/dbraw/zinc/46/78/03/1027467803.db2.gz ULGHMHSXRKCQLH-MNOVXSKESA-N 2 0 317.296 3.551 20 0 DHADRP Cc1cccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1F ZINC000295868657 1027470883 /nfs/dbraw/zinc/47/08/83/1027470883.db2.gz XELAXUVEAQHDNR-UHFFFAOYSA-N 2 0 304.384 3.625 20 0 DHADRP c1ccc(CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423250640 1027474574 /nfs/dbraw/zinc/47/45/74/1027474574.db2.gz QNZJRHFSFDEXTH-CTNGQTDRSA-N 2 0 308.469 3.950 20 0 DHADRP c1ccc(CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423250641 1027475820 /nfs/dbraw/zinc/47/58/20/1027475820.db2.gz QNZJRHFSFDEXTH-FPOVZHCZSA-N 2 0 308.469 3.950 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423253107 1027477395 /nfs/dbraw/zinc/47/73/95/1027477395.db2.gz VCSXULBOYJSIPK-JKSUJKDBSA-N 2 0 311.429 3.524 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423257344 1027479560 /nfs/dbraw/zinc/47/95/60/1027479560.db2.gz IYBAAATXODQMNG-GXTWGEPZSA-N 2 0 309.523 3.789 20 0 DHADRP CC[C@@H](N[C@@H](C[NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000423258586 1027479596 /nfs/dbraw/zinc/47/95/96/1027479596.db2.gz CAEBNUWAMVWTLQ-TZMCWYRMSA-N 2 0 300.393 3.702 20 0 DHADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423259691 1027479704 /nfs/dbraw/zinc/47/97/04/1027479704.db2.gz FOFGEPPVHYIWSB-OCCSQVGLSA-N 2 0 318.383 3.652 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423253105 1027480271 /nfs/dbraw/zinc/48/02/71/1027480271.db2.gz VCSXULBOYJSIPK-HOTGVXAUSA-N 2 0 311.429 3.524 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423287141 1027483427 /nfs/dbraw/zinc/48/34/27/1027483427.db2.gz KMWSCBHLDCJLFM-GXTWGEPZSA-N 2 0 300.368 3.668 20 0 DHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423292028 1027485877 /nfs/dbraw/zinc/48/58/77/1027485877.db2.gz KZTLMGXWALATFQ-UONOGXRCSA-N 2 0 311.429 3.516 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000423290701 1027486173 /nfs/dbraw/zinc/48/61/73/1027486173.db2.gz FCFZJGOAUPBDDK-KBPBESRZSA-N 2 0 315.436 3.762 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292636 1027486658 /nfs/dbraw/zinc/48/66/58/1027486658.db2.gz NPIIAEQWHHOSRJ-KZULUSFZSA-N 2 0 314.404 3.631 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423292057 1027487143 /nfs/dbraw/zinc/48/71/43/1027487143.db2.gz LBRBMTYLKGEGCW-XHDPSFHLSA-N 2 0 301.459 3.638 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292638 1027487357 /nfs/dbraw/zinc/48/73/57/1027487357.db2.gz NPIIAEQWHHOSRJ-XIKOKIGWSA-N 2 0 314.404 3.631 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423271413 1027489372 /nfs/dbraw/zinc/48/93/72/1027489372.db2.gz HKCYAJKDTXDMRK-CWFSZBLJSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423278784 1027491959 /nfs/dbraw/zinc/49/19/59/1027491959.db2.gz RNOQDCFJEXFVPF-GJZGRUSLSA-N 2 0 315.486 3.850 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423278826 1027493603 /nfs/dbraw/zinc/49/36/03/1027493603.db2.gz RQAINQHZYRGQKI-FZMZJTMJSA-N 2 0 320.424 3.555 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423318651 1027499458 /nfs/dbraw/zinc/49/94/58/1027499458.db2.gz CSUIBNVHAZRCHK-AWEZNQCLSA-N 2 0 315.486 3.850 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423317526 1027500655 /nfs/dbraw/zinc/50/06/55/1027500655.db2.gz BRZYVERFLOQRMB-IUODEOHRSA-N 2 0 316.367 3.626 20 0 DHADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423295006 1027502191 /nfs/dbraw/zinc/50/21/91/1027502191.db2.gz DDQAWPJSYUTVNY-KRWDZBQOSA-N 2 0 311.558 3.773 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000423295862 1027503264 /nfs/dbraw/zinc/50/32/64/1027503264.db2.gz XOWXPKSIOIICQI-AUUYWEPGSA-N 2 0 312.482 3.827 20 0 DHADRP Clc1cccc([C@H]2CCC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)c1 ZINC000423345847 1027505732 /nfs/dbraw/zinc/50/57/32/1027505732.db2.gz GGMZQGMUWSLHOT-FUHWJXTLSA-N 2 0 304.865 3.876 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423343843 1027506469 /nfs/dbraw/zinc/50/64/69/1027506469.db2.gz XISXAFIJWGKPMM-OXJNMPFZSA-N 2 0 309.457 3.789 20 0 DHADRP CC1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423322958 1027507938 /nfs/dbraw/zinc/50/79/38/1027507938.db2.gz HRFJXEOIHHFQIS-OAHLLOKOSA-N 2 0 308.853 3.533 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)s1 ZINC000423332049 1027509781 /nfs/dbraw/zinc/50/97/81/1027509781.db2.gz OTWZRSZPLBJZLW-MFKMUULPSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423325440 1027510767 /nfs/dbraw/zinc/51/07/67/1027510767.db2.gz JSEXZCXAMPRFOX-SUNYJGFJSA-N 2 0 317.502 3.768 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC1([NH3+])CCC1 ZINC000423327310 1027510942 /nfs/dbraw/zinc/51/09/42/1027510942.db2.gz MTYXINFELKOVQL-INIZCTEOSA-N 2 0 300.471 3.811 20 0 DHADRP Fc1ccc([C@@H](CCCc2ccccc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423334554 1027514490 /nfs/dbraw/zinc/51/44/90/1027514490.db2.gz WRINOIHCYKUSKI-HXUWFJFHSA-N 2 0 312.432 3.699 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423334056 1027515071 /nfs/dbraw/zinc/51/50/71/1027515071.db2.gz QJYPWQLWRZZJLC-FQEVSTJZSA-N 2 0 324.468 3.764 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000423363018 1027520978 /nfs/dbraw/zinc/52/09/78/1027520978.db2.gz AERMAERONVCAGX-AAVRWANBSA-N 2 0 303.475 3.518 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423369382 1027523156 /nfs/dbraw/zinc/52/31/56/1027523156.db2.gz BVURZJLYQJCOHD-ZENOOKHLSA-N 2 0 314.395 3.757 20 0 DHADRP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000296038028 1027524279 /nfs/dbraw/zinc/52/42/79/1027524279.db2.gz NUBCSJQYIJLTPH-DEYYWGMASA-N 2 0 306.400 3.559 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423380759 1027526456 /nfs/dbraw/zinc/52/64/56/1027526456.db2.gz NXLCZASHDXWYIB-KYOSRNDESA-N 2 0 310.894 3.997 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC[NH2+]1 ZINC000423375882 1027528485 /nfs/dbraw/zinc/52/84/85/1027528485.db2.gz IYTDSTXXJYETBS-YSGRDPCXSA-N 2 0 312.432 3.840 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Br)c1 ZINC000423401275 1027530606 /nfs/dbraw/zinc/53/06/06/1027530606.db2.gz XCPKAKBCHREGGE-DFBGVHRSSA-N 2 0 311.267 3.630 20 0 DHADRP CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423391614 1027531813 /nfs/dbraw/zinc/53/18/13/1027531813.db2.gz NSZPPVSFYKNHPR-QGZVFWFLSA-N 2 0 324.896 3.787 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1Cl ZINC000423388048 1027532219 /nfs/dbraw/zinc/53/22/19/1027532219.db2.gz SXJBZAGRTYKNPA-JYJNAYRXSA-N 2 0 324.896 3.926 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423393111 1027533671 /nfs/dbraw/zinc/53/36/71/1027533671.db2.gz YKTMNRLMCJDCNU-BSIFCXSSSA-N 2 0 324.468 3.709 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423393097 1027534812 /nfs/dbraw/zinc/53/48/12/1027534812.db2.gz QJIUYGRVFWZHLJ-BHYGNILZSA-N 2 0 320.477 3.795 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Br ZINC000423375718 1027535009 /nfs/dbraw/zinc/53/50/09/1027535009.db2.gz ITNJZCXDFQVDAF-ZOWXZIJZSA-N 2 0 311.267 3.760 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423444292 1027544256 /nfs/dbraw/zinc/54/42/56/1027544256.db2.gz WOPUOOFPKHFZNF-OLZOCXBDSA-N 2 0 300.393 3.765 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000423447236 1027544453 /nfs/dbraw/zinc/54/44/53/1027544453.db2.gz UACJCFONLNBQIQ-CWRNSKLLSA-N 2 0 322.905 3.855 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000423428030 1027546282 /nfs/dbraw/zinc/54/62/82/1027546282.db2.gz IWNZTWDODIVBOC-MNOVXSKESA-N 2 0 317.246 3.756 20 0 DHADRP Clc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449349 1027547113 /nfs/dbraw/zinc/54/71/13/1027547113.db2.gz WBLBNMCUYISWHD-USXIJHARSA-N 2 0 320.864 3.531 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H](C)CCCC[NH3+])CCCO2 ZINC000423432699 1027550657 /nfs/dbraw/zinc/55/06/57/1027550657.db2.gz MREQAUNVGNQJBU-XJKSGUPXSA-N 2 0 310.869 3.969 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000423436075 1027550677 /nfs/dbraw/zinc/55/06/77/1027550677.db2.gz PHKJFCYWTCNVQQ-VXGBXAGGSA-N 2 0 304.356 3.753 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000423462338 1027555140 /nfs/dbraw/zinc/55/51/40/1027555140.db2.gz DOSYPLOEFBSUGU-JGGQBBKZSA-N 2 0 308.853 3.661 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000423462341 1027555289 /nfs/dbraw/zinc/55/52/89/1027555289.db2.gz DOSYPLOEFBSUGU-XPKDYRNWSA-N 2 0 308.853 3.661 20 0 DHADRP Cc1cccc([C@@H]([NH2+][C@H](C)CCC[NH3+])c2cccc(F)c2)c1 ZINC000423461721 1027556375 /nfs/dbraw/zinc/55/63/75/1027556375.db2.gz SZNXFSACOXRNCD-DNVCBOLYSA-N 2 0 300.421 3.941 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCS2 ZINC000423470740 1027557715 /nfs/dbraw/zinc/55/77/15/1027557715.db2.gz LZIFPZHOKFLRCY-BFYDXBDKSA-N 2 0 304.503 3.947 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000423470542 1027559018 /nfs/dbraw/zinc/55/90/18/1027559018.db2.gz WLXXSAQXLYJHHM-HUBLWGQQSA-N 2 0 300.368 3.874 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423475040 1027560372 /nfs/dbraw/zinc/56/03/72/1027560372.db2.gz ZRFRUBROJIQWBE-OUCADQQQSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000423477224 1027561083 /nfs/dbraw/zinc/56/10/83/1027561083.db2.gz RTRYWISENPBMNW-RZQQEMMASA-N 2 0 309.457 3.917 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000423475253 1027561227 /nfs/dbraw/zinc/56/12/27/1027561227.db2.gz ZXUDBSZIYFUTBI-XPKDYRNWSA-N 2 0 312.404 3.846 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423479302 1027562088 /nfs/dbraw/zinc/56/20/88/1027562088.db2.gz UYOQFRJQAZGGCJ-VCBZYWHSSA-N 2 0 311.473 3.961 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000423482211 1027563530 /nfs/dbraw/zinc/56/35/30/1027563530.db2.gz OVLPNYBUGXDLIW-KKUMJFAQSA-N 2 0 317.502 3.910 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000423497140 1027564131 /nfs/dbraw/zinc/56/41/31/1027564131.db2.gz GCOLDBYXPJEBED-CZUORRHYSA-N 2 0 303.475 3.891 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000423499641 1027564826 /nfs/dbraw/zinc/56/48/26/1027564826.db2.gz HUPWFPRYJOWMQU-WPGHFRTFSA-N 2 0 323.278 3.544 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000423500835 1027565302 /nfs/dbraw/zinc/56/53/02/1027565302.db2.gz JBWKDOVJMJMOBT-JYJNAYRXSA-N 2 0 324.896 3.913 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCS2 ZINC000423484902 1027570197 /nfs/dbraw/zinc/57/01/97/1027570197.db2.gz RGXWINWASJDFPG-DZGCQCFKSA-N 2 0 310.894 3.999 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000423483146 1027571593 /nfs/dbraw/zinc/57/15/93/1027571593.db2.gz YLGBXZMSXSQYEK-MOXGXCLJSA-N 2 0 312.432 3.870 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000423494985 1027574330 /nfs/dbraw/zinc/57/43/30/1027574330.db2.gz TUPAYDQKRYXATC-AEJSXWLSSA-N 2 0 305.224 3.911 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000423494951 1027574794 /nfs/dbraw/zinc/57/47/94/1027574794.db2.gz SXRGWYDUHZPESY-DFBGVHRSSA-N 2 0 311.267 3.617 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1F ZINC000423496708 1027574822 /nfs/dbraw/zinc/57/48/22/1027574822.db2.gz FKMVASILHVIABV-KDOFPFPSSA-N 2 0 316.420 3.965 20 0 DHADRP Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000576166534 1027575002 /nfs/dbraw/zinc/57/50/02/1027575002.db2.gz RTFMUZITZMUJFD-HXUWFJFHSA-N 2 0 310.416 3.809 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000423558353 1027581355 /nfs/dbraw/zinc/58/13/55/1027581355.db2.gz SILIKWFQYSVQFV-MTNOOBJLSA-N 2 0 318.892 3.639 20 0 DHADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423543860 1027582836 /nfs/dbraw/zinc/58/28/36/1027582836.db2.gz CGUOGPFWXWUZRG-INIZCTEOSA-N 2 0 323.278 3.800 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423543861 1027584464 /nfs/dbraw/zinc/58/44/64/1027584464.db2.gz HYVKQPCHPOKTAG-NRTGNBEESA-N 2 0 309.457 3.523 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc2c(s1)CCCC2 ZINC000423540593 1027584849 /nfs/dbraw/zinc/58/48/49/1027584849.db2.gz JYRWNPKFAZMAIO-DRPJVOAASA-N 2 0 304.503 3.666 20 0 DHADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1Br ZINC000423540123 1027584945 /nfs/dbraw/zinc/58/49/45/1027584945.db2.gz PXOUMKXVANYJGR-MRXNPFEDSA-N 2 0 323.278 3.800 20 0 DHADRP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423545818 1027586737 /nfs/dbraw/zinc/58/67/37/1027586737.db2.gz PKVFFJSZHLVCPW-UAFMIMERSA-N 2 0 300.490 3.766 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423569308 1027589520 /nfs/dbraw/zinc/58/95/20/1027589520.db2.gz WGNAVHCZUQHGEM-OAQYLSRUSA-N 2 0 324.468 3.711 20 0 DHADRP Cc1sccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000562768358 1027595543 /nfs/dbraw/zinc/59/55/43/1027595543.db2.gz KSSDLNVGINTOQR-GOSISDBHSA-N 2 0 314.498 3.711 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(Br)cc2)CC[N@@H+]1C ZINC000296308815 1027602104 /nfs/dbraw/zinc/60/21/04/1027602104.db2.gz GFKFPSSZKRPOOY-JNFNSLLPSA-N 2 0 323.278 3.535 20 0 DHADRP CC(C)(C[NH2+]C1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000576368530 1027607874 /nfs/dbraw/zinc/60/78/74/1027607874.db2.gz OHJIINWLUPAHAG-UHFFFAOYSA-N 2 0 314.395 3.829 20 0 DHADRP Clc1ccc2c(n1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000296415745 1027631984 /nfs/dbraw/zinc/63/19/84/1027631984.db2.gz LDRQJOAOCIAEDZ-MRXNPFEDSA-N 2 0 319.880 3.576 20 0 DHADRP COc1c(Cl)cccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001279197904 1027663185 /nfs/dbraw/zinc/66/31/85/1027663185.db2.gz GYKMLTJVMNGFQJ-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C[C@@H]21 ZINC001170716449 1027783492 /nfs/dbraw/zinc/78/34/92/1027783492.db2.gz UEDIMXVRPIRGJB-OXVGXARHSA-N 2 0 324.512 3.921 20 0 DHADRP c1cncc(-c2cccc(C[NH2+]C[C@H]3CCN3C3CCCC3)c2)c1 ZINC000527812301 1027897702 /nfs/dbraw/zinc/89/77/02/1027897702.db2.gz ZPLKTCFFTZVURK-OAQYLSRUSA-N 2 0 321.468 3.855 20 0 DHADRP Cc1nc2ccc(C[NH2+]C[C@H]3CCN3C3CCCC3)cc2s1 ZINC000527813904 1027898602 /nfs/dbraw/zinc/89/86/02/1027898602.db2.gz ZPWYAYYYNJDSCW-MRXNPFEDSA-N 2 0 315.486 3.711 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OCC ZINC000527927604 1027954068 /nfs/dbraw/zinc/95/40/68/1027954068.db2.gz CRZFILIDIHSZFQ-QRQLOZEOSA-N 2 0 310.526 3.824 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC([NH3+])(c4ccc(F)cc4)CC3)C[C@@H]21 ZINC001170738201 1028000737 /nfs/dbraw/zinc/00/07/37/1028000737.db2.gz LCRHZNLENQSJCY-OSYLJGHBSA-N 2 0 302.437 3.510 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000563350023 1028009474 /nfs/dbraw/zinc/00/94/74/1028009474.db2.gz LSZFXXIOQKDXAW-BBRMVZONSA-N 2 0 314.395 3.840 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000563426057 1028042252 /nfs/dbraw/zinc/04/22/52/1028042252.db2.gz SBSQJNZIVRPRRH-AYBZRNKSSA-N 2 0 301.478 3.743 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000366955110 1028116046 /nfs/dbraw/zinc/11/60/46/1028116046.db2.gz QFAMWOMSNONCDI-NQIIRXRSSA-N 2 0 323.484 3.953 20 0 DHADRP Cn1cncc1CCC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000578374983 1028135257 /nfs/dbraw/zinc/13/52/57/1028135257.db2.gz YJDYYUCRTIWGOG-UHFFFAOYSA-N 2 0 315.848 3.795 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000367086626 1028135388 /nfs/dbraw/zinc/13/53/88/1028135388.db2.gz MBDLKPRBLVDPOE-ICSRJNTNSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1c(Cl)oc2ccccc21 ZINC000578470850 1028158720 /nfs/dbraw/zinc/15/87/20/1028158720.db2.gz VRETUOYLJHZDOR-DOMZBBRYSA-N 2 0 306.837 3.858 20 0 DHADRP c1ccc2c(c1)OC[C@H]2C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000367318089 1028166801 /nfs/dbraw/zinc/16/68/01/1028166801.db2.gz OUAISYYIHLFNNO-MRXNPFEDSA-N 2 0 314.473 3.549 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)[C@H]1C[C@@H]1c1cccs1 ZINC000367436669 1028185721 /nfs/dbraw/zinc/18/57/21/1028185721.db2.gz GYYLEFMWIWFPLP-TUVASFSCSA-N 2 0 301.459 3.604 20 0 DHADRP C[N@H+](CC1CCC(C)(C)CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367474652 1028191842 /nfs/dbraw/zinc/19/18/42/1028191842.db2.gz LSVMVKVSWMIXNO-UHFFFAOYSA-N 2 0 322.537 3.778 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000578642821 1028200965 /nfs/dbraw/zinc/20/09/65/1028200965.db2.gz DGZQTKBTUJMBJL-STQMWFEESA-N 2 0 317.260 3.622 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449008816 1028258237 /nfs/dbraw/zinc/25/82/37/1028258237.db2.gz FUCOERDNXNBNCP-UHFFFAOYSA-N 2 0 315.461 3.772 20 0 DHADRP COc1cccc2c(C[N@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)cccc12 ZINC000449032695 1028277606 /nfs/dbraw/zinc/27/76/06/1028277606.db2.gz XWKUKSKEHUTZPJ-DOTOQJQBSA-N 2 0 312.457 3.763 20 0 DHADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc2ccccc21 ZINC000449023184 1028293494 /nfs/dbraw/zinc/29/34/94/1028293494.db2.gz OHEUWXFMWAUNDP-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000449064093 1028299611 /nfs/dbraw/zinc/29/96/11/1028299611.db2.gz OLCTXOHFQVARQL-UHFFFAOYSA-N 2 0 310.526 3.559 20 0 DHADRP COc1cccc2c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cccc12 ZINC000449044363 1028306938 /nfs/dbraw/zinc/30/69/38/1028306938.db2.gz DIZQBJPHACDUNV-FXAWDEMLSA-N 2 0 324.468 3.765 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1=CC[N@H+](C)CC1 ZINC000564147685 1028324659 /nfs/dbraw/zinc/32/46/59/1028324659.db2.gz JSMCSDQMZUGWLT-IBGZPJMESA-N 2 0 309.457 3.705 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000449096644 1028349080 /nfs/dbraw/zinc/34/90/80/1028349080.db2.gz JGPDKUIMZNGPIW-QGZVFWFLSA-N 2 0 310.526 3.824 20 0 DHADRP COc1cccc2c(C[NH2+]C3CC[NH+](C4CCC4)CC3)cccc12 ZINC000449097331 1028349811 /nfs/dbraw/zinc/34/98/11/1028349811.db2.gz LELUEDJOOXAKRM-UHFFFAOYSA-N 2 0 324.468 3.955 20 0 DHADRP c1c2cccnc2oc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000449121667 1028377395 /nfs/dbraw/zinc/37/73/95/1028377395.db2.gz INXKLKJLDCRDMP-UHFFFAOYSA-N 2 0 301.434 3.574 20 0 DHADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368584516 1028378473 /nfs/dbraw/zinc/37/84/73/1028378473.db2.gz MXLVVJDEPBYAPH-ZIAGYGMSSA-N 2 0 307.507 3.673 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)sc2C1 ZINC000368617819 1028385354 /nfs/dbraw/zinc/38/53/54/1028385354.db2.gz SOAYTQJUDIPXPN-GDBMZVCRSA-N 2 0 319.518 3.674 20 0 DHADRP COc1cccc2c(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cccc12 ZINC000449171329 1028413030 /nfs/dbraw/zinc/41/30/30/1028413030.db2.gz IBWDYOUIOYPOMI-AYHJJNSGSA-N 2 0 324.468 3.953 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449174160 1028415407 /nfs/dbraw/zinc/41/54/07/1028415407.db2.gz YJYXCOHAJOCFSJ-AWEZNQCLSA-N 2 0 310.432 3.780 20 0 DHADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000449162145 1028420983 /nfs/dbraw/zinc/42/09/83/1028420983.db2.gz QWDZYIPAFLSUJJ-QWFCFKBJSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000449189884 1028426113 /nfs/dbraw/zinc/42/61/13/1028426113.db2.gz VKHGIBYFUYARCB-QFBILLFUSA-N 2 0 318.530 3.567 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000449189885 1028428030 /nfs/dbraw/zinc/42/80/30/1028428030.db2.gz VKHGIBYFUYARCB-VQIMIIECSA-N 2 0 318.530 3.567 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCC[C@H]1C ZINC000449193140 1028429287 /nfs/dbraw/zinc/42/92/87/1028429287.db2.gz VIFFRPILPVTGLK-QVHQYWGISA-N 2 0 322.537 3.559 20 0 DHADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000449193868 1028429489 /nfs/dbraw/zinc/42/94/89/1028429489.db2.gz TZPWVIFGYFUXAA-GSEOLPGOSA-N 2 0 322.537 3.559 20 0 DHADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000449193869 1028431019 /nfs/dbraw/zinc/43/10/19/1028431019.db2.gz TZPWVIFGYFUXAA-GTAWCEEGSA-N 2 0 322.537 3.559 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000449214317 1028448849 /nfs/dbraw/zinc/44/88/49/1028448849.db2.gz YECJZXXQCDWHDE-ROUUACIJSA-N 2 0 322.537 3.823 20 0 DHADRP FC1(F)CCCC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000579664720 1028462390 /nfs/dbraw/zinc/46/23/90/1028462390.db2.gz ZWIZRIISPZKVAH-HNNXBMFYSA-N 2 0 300.437 3.666 20 0 DHADRP C[NH+](C)CC1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCCC1 ZINC000449241910 1028488216 /nfs/dbraw/zinc/48/82/16/1028488216.db2.gz CZZLTSUYNHONHG-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000449286080 1028508959 /nfs/dbraw/zinc/50/89/59/1028508959.db2.gz GSDAWNKLNWIMDG-OAHLLOKOSA-N 2 0 324.390 3.555 20 0 DHADRP Cc1cccc(CCN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000564894867 1028515605 /nfs/dbraw/zinc/51/56/05/1028515605.db2.gz DIYPZAPFBJASBI-OALUTQOASA-N 2 0 315.505 3.519 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000449265236 1028517579 /nfs/dbraw/zinc/51/75/79/1028517579.db2.gz REYGOUUGDIFSDV-AEFFLSMTSA-N 2 0 324.553 3.806 20 0 DHADRP CC(C)c1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000369720334 1028522221 /nfs/dbraw/zinc/52/22/21/1028522221.db2.gz HEXJPKOWMDZBRQ-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000449320785 1028553745 /nfs/dbraw/zinc/55/37/45/1028553745.db2.gz POPLVXOLJIIYII-LPHOPBHVSA-N 2 0 300.490 3.860 20 0 DHADRP Brc1cccc(CNC2CC([NH+]3CCCCC3)C2)c1 ZINC000370130624 1028569271 /nfs/dbraw/zinc/56/92/71/1028569271.db2.gz HYZMILPDXMIULB-UHFFFAOYSA-N 2 0 323.278 3.556 20 0 DHADRP C[C@@H]1CCC[C@H](CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000370376566 1028595991 /nfs/dbraw/zinc/59/59/91/1028595991.db2.gz CPKDMJQDPRNASZ-QZTJIDSGSA-N 2 0 322.537 3.778 20 0 DHADRP CCn1cccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000565521978 1028600793 /nfs/dbraw/zinc/60/07/93/1028600793.db2.gz PXWXTFUKIYJFRJ-UYAOXDASSA-N 2 0 311.473 3.681 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000449400411 1028618203 /nfs/dbraw/zinc/61/82/03/1028618203.db2.gz BLQIIRURDFXAKR-PXNSSMCTSA-N 2 0 309.457 3.533 20 0 DHADRP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088373 1028678124 /nfs/dbraw/zinc/67/81/24/1028678124.db2.gz YGUYRGMYMAXWPU-MRXNPFEDSA-N 2 0 300.471 3.868 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2ccccc21 ZINC000371299715 1028685985 /nfs/dbraw/zinc/68/59/85/1028685985.db2.gz JTWLPKKHKQDDFJ-GIVPXCGWSA-N 2 0 324.468 3.523 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2ccccc21 ZINC000371299717 1028687913 /nfs/dbraw/zinc/68/79/13/1028687913.db2.gz JTWLPKKHKQDDFJ-HMXCVIKNSA-N 2 0 324.468 3.523 20 0 DHADRP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000449505971 1028729014 /nfs/dbraw/zinc/72/90/14/1028729014.db2.gz ZUDPPBPWCVCWRY-YLJYHZDGSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Oc2ccccc2)cn1 ZINC000566555848 1028744886 /nfs/dbraw/zinc/74/48/86/1028744886.db2.gz OLKLCZHBJGVQDD-XHSDSOJGSA-N 2 0 311.429 3.652 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC000566571527 1028745895 /nfs/dbraw/zinc/74/58/95/1028745895.db2.gz DPVCDAOHDULQHQ-CVEARBPZSA-N 2 0 307.441 3.654 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449526155 1028756485 /nfs/dbraw/zinc/75/64/85/1028756485.db2.gz CVRDBJQYLFLMOE-SAPNQHFASA-N 2 0 318.505 3.946 20 0 DHADRP CC[C@H](CSC)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000566972822 1028811941 /nfs/dbraw/zinc/81/19/41/1028811941.db2.gz AJFBPGBOLPHSCD-MSOLQXFVSA-N 2 0 318.530 3.915 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000567000688 1028816686 /nfs/dbraw/zinc/81/66/86/1028816686.db2.gz MVNVSTOYYJJSAC-SFHVURJKSA-N 2 0 309.457 3.569 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000449626944 1028862987 /nfs/dbraw/zinc/86/29/87/1028862987.db2.gz YHEHJKHTFKOBPI-INIZCTEOSA-N 2 0 310.526 3.680 20 0 DHADRP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449646126 1028876112 /nfs/dbraw/zinc/87/61/12/1028876112.db2.gz NHMOUFBFWHDMCF-IRXDYDNUSA-N 2 0 312.542 3.805 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1OC(F)(F)F ZINC000567387002 1028882634 /nfs/dbraw/zinc/88/26/34/1028882634.db2.gz WRRFQIRLTNCQJF-GFCCVEGCSA-N 2 0 324.346 3.895 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000567549087 1028915520 /nfs/dbraw/zinc/91/55/20/1028915520.db2.gz BNJZMBWPFXLDOU-CMKODMSKSA-N 2 0 317.521 3.532 20 0 DHADRP C[N@@H+](Cc1csc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000628163696 1028916033 /nfs/dbraw/zinc/91/60/33/1028916033.db2.gz ODXIDFFMKVPUGI-UHFFFAOYSA-N 2 0 306.397 3.541 20 0 DHADRP C[C@@]1(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCCS1 ZINC000628200248 1028935337 /nfs/dbraw/zinc/93/53/37/1028935337.db2.gz DNGJIUXKRXWXKV-SFHVURJKSA-N 2 0 304.503 3.658 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3cccc4ccccc43)C2)C1 ZINC000567760902 1028950575 /nfs/dbraw/zinc/95/05/75/1028950575.db2.gz MXUXQAGIMQJXOH-NRFANRHFSA-N 2 0 324.468 3.636 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C=CCCCCC2)[C@H](C)C1 ZINC000568046615 1028995211 /nfs/dbraw/zinc/99/52/11/1028995211.db2.gz SBQOTQNBMXYWLU-QYZOEREBSA-N 2 0 308.510 3.602 20 0 DHADRP CC(CC[NH+](C)Cc1ccco1)CC[N@H+](C)Cc1ccco1 ZINC000411139881 1029047923 /nfs/dbraw/zinc/04/79/23/1029047923.db2.gz TZORRYXZTAXCLX-UHFFFAOYSA-N 2 0 304.434 3.853 20 0 DHADRP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CCOCC1 ZINC000411450465 1029131583 /nfs/dbraw/zinc/13/15/83/1029131583.db2.gz YPYUYIARZYMAJM-UHFFFAOYSA-N 2 0 316.489 3.531 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000568973631 1029155045 /nfs/dbraw/zinc/15/50/45/1029155045.db2.gz DBZXBZQPJDSSPG-RTBURBONSA-N 2 0 304.478 3.699 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000569124119 1029180821 /nfs/dbraw/zinc/18/08/21/1029180821.db2.gz FILBHBBIRABTPA-UXPWSPDFSA-N 2 0 300.490 3.889 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1C ZINC000817586580 1029214718 /nfs/dbraw/zinc/21/47/18/1029214718.db2.gz PYYPWNLJEABNCO-KLAILNCOSA-N 2 0 304.478 3.835 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000155383459 1029230347 /nfs/dbraw/zinc/23/03/47/1029230347.db2.gz IGQSOMJDPIRFEG-UHFFFAOYSA-N 3 0 323.569 3.885 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCCC[NH3+])cc1 ZINC000155440303 1029235242 /nfs/dbraw/zinc/23/52/42/1029235242.db2.gz XSJQMGFKMVDCEI-INIZCTEOSA-N 2 0 317.477 3.519 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000817907286 1029273479 /nfs/dbraw/zinc/27/34/79/1029273479.db2.gz AYMCTXZCAIOHJP-RTBURBONSA-N 2 0 304.478 3.652 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000817919980 1029274938 /nfs/dbraw/zinc/27/49/38/1029274938.db2.gz XVAANDNFTMFHFM-ZETOZRRWSA-N 2 0 319.276 3.522 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC23CCCCCC3)CC1 ZINC000374290813 1029277771 /nfs/dbraw/zinc/27/77/71/1029277771.db2.gz GWNPNYQCJBNRLU-UHFFFAOYSA-N 2 0 321.553 3.591 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926596 1029278336 /nfs/dbraw/zinc/27/83/36/1029278336.db2.gz OMPFSBRBLCPOEM-XDTLVQLUSA-N 2 0 315.244 3.534 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H](O)c1ccccc1 ZINC000817927633 1029278656 /nfs/dbraw/zinc/27/86/56/1029278656.db2.gz NVKHQZDUALKLDK-WCIQWLHISA-N 2 0 310.441 3.623 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)c(Cl)c1 ZINC000817947706 1029287145 /nfs/dbraw/zinc/28/71/45/1029287145.db2.gz FYBIIXFCKILYHZ-GFCCVEGCSA-N 2 0 306.812 3.831 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cc1Cl ZINC000817947980 1029290259 /nfs/dbraw/zinc/29/02/59/1029290259.db2.gz HPXLTNVIACRKGF-GFCCVEGCSA-N 2 0 306.812 3.831 20 0 DHADRP CCC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(OC)cc1 ZINC000817949281 1029291248 /nfs/dbraw/zinc/29/12/48/1029291248.db2.gz PPCDUJDMTKIYMC-HXUWFJFHSA-N 2 0 312.457 3.827 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000817978491 1029316177 /nfs/dbraw/zinc/31/61/77/1029316177.db2.gz BTBJCVBKPZTKBB-QTTZHHEGSA-N 2 0 302.437 3.567 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817982148 1029321316 /nfs/dbraw/zinc/32/13/16/1029321316.db2.gz YJSXQABMTHSCJE-JQWIXIFHSA-N 2 0 316.276 3.758 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000817987201 1029323735 /nfs/dbraw/zinc/32/37/35/1029323735.db2.gz XWIUAWUBKQTEBJ-HIFRSBDPSA-N 2 0 322.880 3.982 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@@H]2CCC[C@@H]21 ZINC000570249896 1029339138 /nfs/dbraw/zinc/33/91/38/1029339138.db2.gz IHYLOGVUEBZCKY-GHYVTOPFSA-N 2 0 310.894 3.851 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](COCc2ccccc2)C(C)C)CC1 ZINC000570358348 1029354101 /nfs/dbraw/zinc/35/41/01/1029354101.db2.gz KVMUEBZQPTVABB-FQEVSTJZSA-N 2 0 318.505 3.549 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170892494 1029355887 /nfs/dbraw/zinc/35/58/87/1029355887.db2.gz HLKRKMKFQFTGIG-KRWDZBQOSA-N 2 0 320.908 3.909 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)nc1 ZINC000629525489 1029359370 /nfs/dbraw/zinc/35/93/70/1029359370.db2.gz ZMRVYFQZCLJRHQ-IAGOWNOFSA-N 2 0 303.494 3.568 20 0 DHADRP CC(C)[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000629534592 1029362422 /nfs/dbraw/zinc/36/24/22/1029362422.db2.gz AEYNDDQPZWOLHB-HNNXBMFYSA-N 2 0 319.276 3.646 20 0 DHADRP COc1c(C(C)(C)C)cc(N[C@H]([NH3+])CCC[NH3+])cc1C(C)(C)C ZINC001170900872 1029371328 /nfs/dbraw/zinc/37/13/28/1029371328.db2.gz QZJZNDUDMNWJIR-INIZCTEOSA-N 2 0 321.509 3.726 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC(F)(F)C1 ZINC000529541016 1029381122 /nfs/dbraw/zinc/38/11/22/1029381122.db2.gz ZMGCSAOLHHZAHG-CYBMUJFWSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC(F)(F)C1 ZINC000529542024 1029382650 /nfs/dbraw/zinc/38/26/50/1029382650.db2.gz NZMHHCSILYCWKL-IHRRRGAJSA-N 2 0 300.437 3.663 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000629648599 1029404471 /nfs/dbraw/zinc/40/44/71/1029404471.db2.gz RTZFMDRNYNXURA-IBGZPJMESA-N 2 0 308.425 3.532 20 0 DHADRP Cc1cc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000629654261 1029406461 /nfs/dbraw/zinc/40/64/61/1029406461.db2.gz GZEJEVDIACVZEQ-STQMWFEESA-N 2 0 320.786 3.608 20 0 DHADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629653211 1029406707 /nfs/dbraw/zinc/40/67/07/1029406707.db2.gz CZDLDJGHXJVWKO-CBBWQLFWSA-N 2 0 306.416 3.662 20 0 DHADRP Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000629654258 1029407131 /nfs/dbraw/zinc/40/71/31/1029407131.db2.gz GZEJEVDIACVZEQ-CHWSQXEVSA-N 2 0 320.786 3.608 20 0 DHADRP Cc1cc(C)cc([C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000818959841 1029445237 /nfs/dbraw/zinc/44/52/37/1029445237.db2.gz USBHMGYWEKAAMH-AZUAARDMSA-N 2 0 318.505 3.581 20 0 DHADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)CC1CCCC1 ZINC000818984001 1029448209 /nfs/dbraw/zinc/44/82/09/1029448209.db2.gz TVOLRSMKQPTKBV-HXUWFJFHSA-N 2 0 322.537 3.562 20 0 DHADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000819050637 1029458683 /nfs/dbraw/zinc/45/86/83/1029458683.db2.gz VECIMZPAUAXNMZ-SFHVURJKSA-N 2 0 324.896 3.619 20 0 DHADRP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1c(C)cccc1Cl ZINC000450468041 1029498792 /nfs/dbraw/zinc/49/87/92/1029498792.db2.gz FODAQVKQCCLFCB-OAHLLOKOSA-N 2 0 303.837 3.818 20 0 DHADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229641 1029557387 /nfs/dbraw/zinc/55/73/87/1029557387.db2.gz PKIGEPHMMHAZLW-LWSMDNFKSA-N 2 0 310.526 3.703 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000390930724 1029719927 /nfs/dbraw/zinc/71/99/27/1029719927.db2.gz GMVCKKWVBXSKDJ-IBGZPJMESA-N 2 0 311.473 3.867 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170948501 1029733093 /nfs/dbraw/zinc/73/30/93/1029733093.db2.gz HMUQJCJUGCOCGL-NUJGCVRESA-N 2 0 318.480 3.641 20 0 DHADRP CC(C)C[C@H](C)[NH+]1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000450941292 1029743020 /nfs/dbraw/zinc/74/30/20/1029743020.db2.gz SCWFBZGYYRTQPR-HOTGVXAUSA-N 2 0 321.534 3.864 20 0 DHADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820804886 1029767573 /nfs/dbraw/zinc/76/75/73/1029767573.db2.gz BMXMVSPPSSNFIJ-HNNXBMFYSA-N 3 0 317.521 3.708 20 0 DHADRP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811679 1029768955 /nfs/dbraw/zinc/76/89/55/1029768955.db2.gz ULJVGPBWRDMCDV-ZIAGYGMSSA-N 2 0 315.461 3.635 20 0 DHADRP Cc1noc(C)c1CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812482 1029770018 /nfs/dbraw/zinc/77/00/18/1029770018.db2.gz MIEKKTXTCWCOSK-CQSZACIVSA-N 2 0 315.461 3.636 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211987 1029783933 /nfs/dbraw/zinc/78/39/33/1029783933.db2.gz PPKHLFLAFIWARE-YOEHRIQHSA-N 2 0 300.471 3.893 20 0 DHADRP CC(C)OCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000121810595 1029859685 /nfs/dbraw/zinc/85/96/85/1029859685.db2.gz RPNVDVYRDFKYDT-QUCCMNQESA-N 2 0 318.505 3.786 20 0 DHADRP CC(C)OCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000121810437 1029859883 /nfs/dbraw/zinc/85/98/83/1029859883.db2.gz RPNVDVYRDFKYDT-AZUAARDMSA-N 2 0 318.505 3.786 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc(F)c1F ZINC000121885442 1029866951 /nfs/dbraw/zinc/86/69/51/1029866951.db2.gz KNIHPZRHMZVZTE-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170971443 1029871700 /nfs/dbraw/zinc/87/17/00/1029871700.db2.gz NUPOLELXIBKZDK-KZNAEPCWSA-N 2 0 318.480 3.911 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCc2cccc(F)c2C1)CC(C)(C)CC[NH3+] ZINC001170973956 1029909456 /nfs/dbraw/zinc/90/94/56/1029909456.db2.gz TZRFGXLQVPHHFT-HOCLYGCPSA-N 2 0 306.469 3.674 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865588890 1029931488 /nfs/dbraw/zinc/93/14/88/1029931488.db2.gz ARLPHLYPCJDCIH-UHFFFAOYSA-N 2 0 318.383 3.637 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246158060 1029935287 /nfs/dbraw/zinc/93/52/87/1029935287.db2.gz FOCUTSWMFDREER-LLVKDONJSA-N 2 0 301.261 3.656 20 0 DHADRP Cc1ccncc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717608 1029986906 /nfs/dbraw/zinc/98/69/06/1029986906.db2.gz GIBWFAWCISBVFU-UHFFFAOYSA-N 2 0 323.484 3.782 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCCS3)CC2)cc1 ZINC000865725210 1029992296 /nfs/dbraw/zinc/99/22/96/1029992296.db2.gz VHBRMOWKIMWFTB-LJQANCHMSA-N 2 0 318.530 3.569 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000475672342 1030008097 /nfs/dbraw/zinc/00/80/97/1030008097.db2.gz SEINYFXRZDKMLX-MOIQIXESSA-N 2 0 306.881 3.906 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCc2cccnc2)CC1)CC(C)C ZINC000557317773 1030091667 /nfs/dbraw/zinc/09/16/67/1030091667.db2.gz QEQZSINMJWUCAT-UHFFFAOYSA-N 2 0 317.521 3.704 20 0 DHADRP CCC1([NH+](C)C)CCN(c2cc[nH+]c3cc(OC)ccc32)CC1 ZINC000866059950 1030117607 /nfs/dbraw/zinc/11/76/07/1030117607.db2.gz XGBGWLXKAXXMKG-UHFFFAOYSA-N 2 0 313.445 3.554 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC001246213217 1030148173 /nfs/dbraw/zinc/14/81/73/1030148173.db2.gz TYHBRTNCXHQGJG-ZDUSSCGKSA-N 2 0 312.910 3.800 20 0 DHADRP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000357685582 1030150277 /nfs/dbraw/zinc/15/02/77/1030150277.db2.gz FUBUVCXZXAWKGW-OAQYLSRUSA-N 2 0 321.468 3.883 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccnnc1 ZINC000924678588 1030156512 /nfs/dbraw/zinc/15/65/12/1030156512.db2.gz CPULWMFNJIVCJO-DLBZAZTESA-N 2 0 324.472 3.559 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccnnc1 ZINC000924680804 1030157838 /nfs/dbraw/zinc/15/78/38/1030157838.db2.gz SNHMAVIAXYXCHW-DLBZAZTESA-N 2 0 324.472 3.702 20 0 DHADRP C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866228430 1030168478 /nfs/dbraw/zinc/16/84/78/1030168478.db2.gz HGVHFMVSJCOUCZ-RYUDHWBXSA-N 2 0 319.836 3.616 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924846766 1030203338 /nfs/dbraw/zinc/20/33/38/1030203338.db2.gz PKVDGBGKPPOYQH-KRWDZBQOSA-N 3 0 317.521 3.663 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866282379 1030203147 /nfs/dbraw/zinc/20/31/47/1030203147.db2.gz NVKPIUKOSHXMSG-SFHVURJKSA-N 2 0 317.521 3.750 20 0 DHADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000866289812 1030207824 /nfs/dbraw/zinc/20/78/24/1030207824.db2.gz KOGJJQWBNDGIJP-SFHVURJKSA-N 2 0 302.462 3.535 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000924963528 1030237806 /nfs/dbraw/zinc/23/78/06/1030237806.db2.gz KIMGGMBSPQGUPJ-HNNXBMFYSA-N 2 0 306.519 3.661 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866353446 1030249627 /nfs/dbraw/zinc/24/96/27/1030249627.db2.gz YFRYVUAPNNPOPR-NQIIRXRSSA-N 2 0 323.484 3.514 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000866402295 1030280440 /nfs/dbraw/zinc/28/04/40/1030280440.db2.gz JDSHIMCCVZRAEA-NUJGCVRESA-N 2 0 310.551 3.762 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171019525 1030300134 /nfs/dbraw/zinc/30/01/34/1030300134.db2.gz XRPDRFYBIPHRKQ-GOEBONIOSA-N 2 0 306.881 3.519 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866468946 1030310483 /nfs/dbraw/zinc/31/04/83/1030310483.db2.gz JJSXHOKYYYYDED-KRWDZBQOSA-N 2 0 303.494 3.503 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000866470514 1030311178 /nfs/dbraw/zinc/31/11/78/1030311178.db2.gz YBSDKJUTXBLVAI-SFHVURJKSA-N 2 0 301.478 3.559 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1O ZINC000866469661 1030311392 /nfs/dbraw/zinc/31/13/92/1030311392.db2.gz PDWGWMNDWUOHFQ-HNNXBMFYSA-N 2 0 320.477 3.562 20 0 DHADRP C[C@@H](CC[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000291075124 1030329300 /nfs/dbraw/zinc/32/93/00/1030329300.db2.gz FUHWLQLEQRQAAT-SFHVURJKSA-N 2 0 315.505 3.510 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000925296412 1030336898 /nfs/dbraw/zinc/33/68/98/1030336898.db2.gz XPYYBVOBAPFMDT-SNRMKQJTSA-N 2 0 304.478 3.602 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000866516507 1030342751 /nfs/dbraw/zinc/34/27/51/1030342751.db2.gz AUAVPDRCJFTQOI-KGYZHSKHSA-N 2 0 302.462 3.622 20 0 DHADRP Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000358146443 1030344362 /nfs/dbraw/zinc/34/43/62/1030344362.db2.gz HOONZAJFEBWAGA-KRWDZBQOSA-N 2 0 309.457 3.798 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000866535332 1030355060 /nfs/dbraw/zinc/35/50/60/1030355060.db2.gz SAVCIZSTSNGAEV-DZGCQCFKSA-N 2 0 304.400 3.594 20 0 DHADRP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)Oc1ccccc1F ZINC000925523990 1030385424 /nfs/dbraw/zinc/38/54/24/1030385424.db2.gz PQURRPXKKCMRJJ-MAUKXSAKSA-N 2 0 316.420 3.663 20 0 DHADRP Cc1csc(CCCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925566392 1030405865 /nfs/dbraw/zinc/40/58/65/1030405865.db2.gz HTYOQLDTHPCOQR-KRWDZBQOSA-N 2 0 317.502 3.844 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C12CCC2 ZINC000925584784 1030411640 /nfs/dbraw/zinc/41/16/40/1030411640.db2.gz MNQCPOWMYRMTRN-PMACEKPBSA-N 2 0 322.452 3.592 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccccc1 ZINC000925582498 1030411932 /nfs/dbraw/zinc/41/19/32/1030411932.db2.gz GCUXBWXSQJFRNG-HNNXBMFYSA-N 2 0 301.459 3.590 20 0 DHADRP CC(C)(C[NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCCO1 ZINC000925582360 1030412453 /nfs/dbraw/zinc/41/24/53/1030412453.db2.gz ZFHBPMYSRNGYAC-MSOLQXFVSA-N 2 0 304.478 3.652 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000291259267 1030424164 /nfs/dbraw/zinc/42/41/64/1030424164.db2.gz PVAQMGCQHFMPJL-IBGZPJMESA-N 2 0 310.441 3.621 20 0 DHADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000925631391 1030426336 /nfs/dbraw/zinc/42/63/36/1030426336.db2.gz XZQMFOXSSOLVEP-GUDVDZBRSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)cc2c1 ZINC000866707803 1030427409 /nfs/dbraw/zinc/42/74/09/1030427409.db2.gz KERAVCYLYKIUMV-HXUWFJFHSA-N 2 0 311.473 3.740 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[C@@H]([NH3+])C1 ZINC000925633310 1030427437 /nfs/dbraw/zinc/42/74/37/1030427437.db2.gz FDDZLFYXKPBBNM-MSOLQXFVSA-N 2 0 316.489 3.622 20 0 DHADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000866705598 1030428349 /nfs/dbraw/zinc/42/83/49/1030428349.db2.gz DJFXPGIZYMZJII-LJQANCHMSA-N 2 0 315.436 3.571 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC000925640564 1030431201 /nfs/dbraw/zinc/43/12/01/1030431201.db2.gz SICQUNUJURFYBS-HKBOAZHASA-N 2 0 324.468 3.977 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C12CCC2 ZINC000925645813 1030432760 /nfs/dbraw/zinc/43/27/60/1030432760.db2.gz TYVCUXLUHOMFPE-GJZGRUSLSA-N 2 0 324.390 3.597 20 0 DHADRP COc1cc(F)cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000823966397 1030435378 /nfs/dbraw/zinc/43/53/78/1030435378.db2.gz MUMRXJSHIFYGFN-UHFFFAOYSA-N 2 0 320.452 3.721 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C12CCC2 ZINC000925657930 1030442608 /nfs/dbraw/zinc/44/26/08/1030442608.db2.gz VJDQDRQGSYSKFW-DTZQCDIJSA-N 2 0 324.390 3.811 20 0 DHADRP C[N@H+](CCCSc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000358339092 1030444295 /nfs/dbraw/zinc/44/42/95/1030444295.db2.gz WHJYBBJIEXCWQY-AWEZNQCLSA-N 2 0 312.910 3.896 20 0 DHADRP COCCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccc(Cl)cc1 ZINC000925664951 1030445676 /nfs/dbraw/zinc/44/56/76/1030445676.db2.gz HTIIJZWLZAZKAJ-DOTOQJQBSA-N 2 0 324.896 3.580 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[C@H](c3ccc(F)cc3)C1)[NH2+]2 ZINC000925663390 1030445816 /nfs/dbraw/zinc/44/58/16/1030445816.db2.gz RPLRVGDUQXNIMX-RGRHTKLBSA-N 2 0 302.437 3.580 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925686155 1030453621 /nfs/dbraw/zinc/45/36/21/1030453621.db2.gz QDELQCRDOTYYSS-MJGOQNOKSA-N 2 0 315.505 3.637 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1(Cl)Cl ZINC000925694996 1030454612 /nfs/dbraw/zinc/45/46/12/1030454612.db2.gz VQLJLFSTFXKOLO-ZNMIVQPWSA-N 2 0 319.320 3.718 20 0 DHADRP C[C@H](CCO)C1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000925703102 1030458617 /nfs/dbraw/zinc/45/86/17/1030458617.db2.gz CCCKDFKPIJINHS-IAGOWNOFSA-N 2 0 318.505 3.588 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1 ZINC000925723057 1030465310 /nfs/dbraw/zinc/46/53/10/1030465310.db2.gz QULXXDMUMGRUOP-HBMCJLEFSA-N 2 0 324.468 3.834 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000925723901 1030465634 /nfs/dbraw/zinc/46/56/34/1030465634.db2.gz DJXIPPDJLJXSJR-HZMVEIRTSA-N 2 0 322.880 3.666 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C1CC(Nc2ccccc2)C1)c1ccccc1 ZINC000925733799 1030468918 /nfs/dbraw/zinc/46/89/18/1030468918.db2.gz XXWMXDPFUKMMFQ-MHJFOBGBSA-N 2 0 309.457 3.699 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)C[C@H](O)c2ccccc2)CC1 ZINC000925292754 1030469318 /nfs/dbraw/zinc/46/93/18/1030469318.db2.gz NNFRKTUHPVERKS-XLIONFOSSA-N 2 0 318.505 3.599 20 0 DHADRP C[C@H](NCCC(C)(C)[NH3+])c1csc(-c2ccccc2F)n1 ZINC000925738225 1030471835 /nfs/dbraw/zinc/47/18/35/1030471835.db2.gz OEHPWDAADPATCE-NSHDSACASA-N 2 0 307.438 3.727 20 0 DHADRP CC(C)CC1(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246314229 1030474613 /nfs/dbraw/zinc/47/46/13/1030474613.db2.gz DXAUAKOCRNYENE-PKOBYXMFSA-N 2 0 315.505 3.708 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000925757460 1030483314 /nfs/dbraw/zinc/48/33/14/1030483314.db2.gz HDEQLHZPWCLRNB-ROUUACIJSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(SC(F)(F)F)c1 ZINC000925776925 1030492230 /nfs/dbraw/zinc/49/22/30/1030492230.db2.gz AZOIKOYISOSCET-UWVGGRQHSA-N 2 0 304.381 3.557 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc2c(s1)CCCC2 ZINC000925780370 1030494376 /nfs/dbraw/zinc/49/43/76/1030494376.db2.gz FDCKFSMJIDBISV-YPMHNXCESA-N 2 0 314.445 3.522 20 0 DHADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000925786965 1030497340 /nfs/dbraw/zinc/49/73/40/1030497340.db2.gz YHIZHFBHISCNKY-DZGCQCFKSA-N 2 0 314.807 3.626 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000925786966 1030497978 /nfs/dbraw/zinc/49/79/78/1030497978.db2.gz YHIZHFBHISCNKY-HIFRSBDPSA-N 2 0 314.807 3.626 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796212 1030501490 /nfs/dbraw/zinc/50/14/90/1030501490.db2.gz ARIHXQZCBLWRBC-MBNYWOFBSA-N 2 0 309.523 3.645 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000925802173 1030503481 /nfs/dbraw/zinc/50/34/81/1030503481.db2.gz YONBAOKZRYBSAK-XPKDYRNWSA-N 2 0 312.404 3.574 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)cc1O ZINC000925807524 1030506025 /nfs/dbraw/zinc/50/60/25/1030506025.db2.gz KEDKLWCFQFIIBP-HNNXBMFYSA-N 2 0 320.477 3.611 20 0 DHADRP CCn1nc(C)c([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)c1C ZINC000925806451 1030506268 /nfs/dbraw/zinc/50/62/68/1030506268.db2.gz DMQGQMIISVAVDD-HNNXBMFYSA-N 2 0 320.525 3.730 20 0 DHADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501608 1030514758 /nfs/dbraw/zinc/51/47/58/1030514758.db2.gz BESUWJVPCVFFDN-CYBMUJFWSA-N 2 0 323.278 3.586 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCCO2 ZINC000925876345 1030530474 /nfs/dbraw/zinc/53/04/74/1030530474.db2.gz VAZDGOQXASAXNZ-UWWQBHOKSA-N 2 0 302.462 3.741 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000925881395 1030532334 /nfs/dbraw/zinc/53/23/34/1030532334.db2.gz AFQJEKUZJRRUNK-SIXWZSSISA-N 2 0 302.462 3.644 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925880366 1030532844 /nfs/dbraw/zinc/53/28/44/1030532844.db2.gz QEBHWVKJNLCKRE-LMNJBCLMSA-N 2 0 324.468 3.696 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000925886387 1030535015 /nfs/dbraw/zinc/53/50/15/1030535015.db2.gz FVHNIFNCLOXBGL-HFSMHLIXSA-N 2 0 322.452 3.549 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000925973702 1030563156 /nfs/dbraw/zinc/56/31/56/1030563156.db2.gz RUQXKSNAPLKBOG-MOPGFXCFSA-N 2 0 310.526 3.680 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171057587 1030563466 /nfs/dbraw/zinc/56/34/66/1030563466.db2.gz CPTBGBGQUFOQEL-BFHYXJOUSA-N 2 0 313.272 3.710 20 0 DHADRP C[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1(Cl)Cl ZINC000824773350 1030630503 /nfs/dbraw/zinc/63/05/03/1030630503.db2.gz KIZGXXHIYIXZME-HNNXBMFYSA-N 2 0 319.320 3.957 20 0 DHADRP C[C@H](CCN[C@H](C)c1cnn(C2CCC2)c1)[NH+]1CCCCC1 ZINC000926146469 1030632395 /nfs/dbraw/zinc/63/23/95/1030632395.db2.gz VFMVKGPDSDXKTE-HZPDHXFCSA-N 2 0 304.482 3.523 20 0 DHADRP CC1([NH3+])CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171066150 1030636258 /nfs/dbraw/zinc/63/62/58/1030636258.db2.gz HIDBHQRUIDYHGX-CYBMUJFWSA-N 2 0 313.272 3.664 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122339873 1030665063 /nfs/dbraw/zinc/66/50/63/1030665063.db2.gz DMTJCAOYAXGFMA-OAHLLOKOSA-N 2 0 324.534 3.637 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CCC2 ZINC000247157071 1030681107 /nfs/dbraw/zinc/68/11/07/1030681107.db2.gz RVGMTZNIGUTPKO-BFHYXJOUSA-N 2 0 307.507 3.545 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000926354624 1030707597 /nfs/dbraw/zinc/70/75/97/1030707597.db2.gz UZSRRYFSSBAGPR-WIYYLYMNSA-N 2 0 323.484 3.514 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359016478 1030732597 /nfs/dbraw/zinc/73/25/97/1030732597.db2.gz QYZFAHNSGJUDJC-PKOBYXMFSA-N 2 0 309.457 3.563 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000248742889 1030763730 /nfs/dbraw/zinc/76/37/30/1030763730.db2.gz AKWRFQIGZPVRGE-RZXSNQJFSA-N 2 0 321.468 3.928 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCSCC2)C3)cc1 ZINC000248828247 1030768650 /nfs/dbraw/zinc/76/86/50/1030768650.db2.gz GTGJWWOTXDLMSH-REPLKXPHSA-N 2 0 316.514 3.667 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926557049 1030799137 /nfs/dbraw/zinc/79/91/37/1030799137.db2.gz GCTSQTULEVTHDS-WBVHZDCISA-N 2 0 304.478 3.604 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000926574249 1030803070 /nfs/dbraw/zinc/80/30/70/1030803070.db2.gz VIGOMAYZZWMDNN-NQIIRXRSSA-N 2 0 323.484 3.801 20 0 DHADRP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncccc1Cl ZINC000926574097 1030804904 /nfs/dbraw/zinc/80/49/04/1030804904.db2.gz RZFMFLFZPLMHFM-GDBMZVCRSA-N 2 0 309.885 3.898 20 0 DHADRP CC(C)c1csc([C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359209446 1030841878 /nfs/dbraw/zinc/84/18/78/1030841878.db2.gz KMRLDVKJCJXCER-MRXNPFEDSA-N 2 0 321.534 3.836 20 0 DHADRP C[C@H]([NH2+]CCc1noc2ccccc12)c1cccc(C[NH+](C)C)c1 ZINC000926677013 1030853576 /nfs/dbraw/zinc/85/35/76/1030853576.db2.gz NJIWMZJQLCWZOI-HNNXBMFYSA-N 2 0 323.440 3.783 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171093789 1030860818 /nfs/dbraw/zinc/86/08/18/1030860818.db2.gz IIGTWOIDIMOJHH-IBGZPJMESA-N 2 0 320.908 3.907 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(C[NH+](C)C)c1 ZINC000926708467 1030874324 /nfs/dbraw/zinc/87/43/24/1030874324.db2.gz IKKRAHWFZZBCPH-VBKZILBWSA-N 2 0 310.441 3.792 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171094736 1030886298 /nfs/dbraw/zinc/88/62/98/1030886298.db2.gz MNWYJMAIKYGPJL-SFHVURJKSA-N 2 0 308.897 3.909 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171094728 1030886802 /nfs/dbraw/zinc/88/68/02/1030886802.db2.gz MNWYJMAIKYGPJL-GOSISDBHSA-N 2 0 308.897 3.909 20 0 DHADRP CC(C)[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000359297290 1030894275 /nfs/dbraw/zinc/89/42/75/1030894275.db2.gz YGYSCGDWCWFMNB-LMMKCTJWSA-N 2 0 303.494 3.736 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000161633261 1030931097 /nfs/dbraw/zinc/93/10/97/1030931097.db2.gz RRBOKKVWKANNSN-HOTGVXAUSA-N 2 0 304.478 3.651 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000161632748 1030931281 /nfs/dbraw/zinc/93/12/81/1030931281.db2.gz UACXTPWDBHAAFU-VBNZEHGJSA-N 2 0 312.379 3.983 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc(C[NH+](C)C)c1 ZINC000926795958 1030932268 /nfs/dbraw/zinc/93/22/68/1030932268.db2.gz CQELMJRERBCUPA-APWZRJJASA-N 2 0 316.489 3.606 20 0 DHADRP [NH3+][C@H]1CCc2c3ccccc3n(-c3cc[nH+]c(C4CC4)c3)c2C1 ZINC001171099648 1030945607 /nfs/dbraw/zinc/94/56/07/1030945607.db2.gz OUNLZACMUQCEER-AWEZNQCLSA-N 2 0 303.409 3.719 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c[nH]c21 ZINC000161806047 1030948974 /nfs/dbraw/zinc/94/89/74/1030948974.db2.gz UFPLHCDYGDQRGC-QMTMVMCOSA-N 2 0 313.489 3.591 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](CC)C[C@@H]3C)c[nH]c21 ZINC000161803681 1030950173 /nfs/dbraw/zinc/95/01/73/1030950173.db2.gz QKATVVHSSQTQQE-HNAYVOBHSA-N 2 0 313.489 3.593 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171105142 1030964422 /nfs/dbraw/zinc/96/44/22/1030964422.db2.gz OUAPYQDENOOASS-LJQANCHMSA-N 2 0 320.908 3.907 20 0 DHADRP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107531 1030972441 /nfs/dbraw/zinc/97/24/41/1030972441.db2.gz CDWNDZWUWRCRJS-GOSISDBHSA-N 2 0 318.892 3.791 20 0 DHADRP C[C@H](c1cccnc1)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)c1cccnc1 ZINC000255028183 1030978633 /nfs/dbraw/zinc/97/86/33/1030978633.db2.gz UDIBLNITAQSNPI-SPCWZHTESA-N 2 0 324.472 3.719 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2cnc3ccccc3c2)CC1 ZINC000926920537 1030995688 /nfs/dbraw/zinc/99/56/88/1030995688.db2.gz RPBPNMZLEKNFTJ-UHFFFAOYSA-N 2 0 311.473 3.630 20 0 DHADRP C[N@H+](Cc1ccccc1Oc1cccnc1)C1CCC([NH3+])CC1 ZINC000844220650 1030996435 /nfs/dbraw/zinc/99/64/35/1030996435.db2.gz ITYVAEGBOGKCQS-UHFFFAOYSA-N 2 0 311.429 3.576 20 0 DHADRP [NH3+]CCCCCCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000844222188 1030998241 /nfs/dbraw/zinc/99/82/41/1030998241.db2.gz ZLBFRGLGLCYYLO-UHFFFAOYSA-N 2 0 314.477 3.652 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926948262 1031009755 /nfs/dbraw/zinc/00/97/55/1031009755.db2.gz JUVUASMRELVNRW-BYCMXARLSA-N 2 0 300.368 3.597 20 0 DHADRP C[C@@]1(C[NH3+])CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000261630736 1031038994 /nfs/dbraw/zinc/03/89/94/1031038994.db2.gz FICZIHSCDLRRTF-INIZCTEOSA-N 2 0 321.877 3.634 20 0 DHADRP C[C@]1(C[NH3+])CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000261630739 1031041003 /nfs/dbraw/zinc/04/10/03/1031041003.db2.gz FICZIHSCDLRRTF-MRXNPFEDSA-N 2 0 321.877 3.634 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000927035487 1031043112 /nfs/dbraw/zinc/04/31/12/1031043112.db2.gz AJEVLOIRBZXZFX-RVSXGSNBSA-N 2 0 314.473 3.766 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc2c(c1)COC2 ZINC000927039039 1031046021 /nfs/dbraw/zinc/04/60/21/1031046021.db2.gz SGYOLINKFLHQGW-APMMTJHUSA-N 2 0 314.473 3.774 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000927038980 1031046449 /nfs/dbraw/zinc/04/64/49/1031046449.db2.gz QWOAEMDKENEKPW-FAEJEUNOSA-N 2 0 304.482 3.522 20 0 DHADRP COc1ccc(C[C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000927036837 1031047019 /nfs/dbraw/zinc/04/70/19/1031047019.db2.gz HCCSEUKDTWMVOU-VQSBYGRUSA-N 2 0 316.489 3.623 20 0 DHADRP COc1ccccc1C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039539 1031048569 /nfs/dbraw/zinc/04/85/69/1031048569.db2.gz VLQFGFMTXCZRKW-VQSBYGRUSA-N 2 0 316.489 3.623 20 0 DHADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261758268 1031061603 /nfs/dbraw/zinc/06/16/03/1031061603.db2.gz LCGZJGHLHDZYSC-XHDPSFHLSA-N 2 0 301.261 3.986 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000261935849 1031076537 /nfs/dbraw/zinc/07/65/37/1031076537.db2.gz MAQGZKYIMMCVIP-NSHDSACASA-N 2 0 320.786 3.920 20 0 DHADRP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000261954863 1031081158 /nfs/dbraw/zinc/08/11/58/1031081158.db2.gz GOHYXOQMZOVXFC-SFHVURJKSA-N 2 0 316.445 3.740 20 0 DHADRP COc1cc(-c2ccccc2)ccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262005432 1031088942 /nfs/dbraw/zinc/08/89/42/1031088942.db2.gz LTTBOENFPBLCQV-OAQYLSRUSA-N 2 0 322.452 3.548 20 0 DHADRP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)c1 ZINC000262067382 1031093251 /nfs/dbraw/zinc/09/32/51/1031093251.db2.gz RTBSXDCCWGLZDI-GOSISDBHSA-N 2 0 316.445 3.740 20 0 DHADRP Clc1sccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000359697605 1031102290 /nfs/dbraw/zinc/10/22/90/1031102290.db2.gz CCTBIOLUYCWTGB-UHFFFAOYSA-N 2 0 321.877 3.803 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000162460910 1031181837 /nfs/dbraw/zinc/18/18/37/1031181837.db2.gz JXRPXEVSFZTKAF-KRWDZBQOSA-N 2 0 309.457 3.885 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000359887552 1031181707 /nfs/dbraw/zinc/18/17/07/1031181707.db2.gz WOBOXYSWWVXVQD-KRWDZBQOSA-N 2 0 303.494 3.977 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccs1 ZINC000162558137 1031234289 /nfs/dbraw/zinc/23/42/89/1031234289.db2.gz MDANOAGFNHPKPA-QGZVFWFLSA-N 2 0 318.486 3.929 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139270 1031242578 /nfs/dbraw/zinc/24/25/78/1031242578.db2.gz KOKZOCMFNGWNNH-CQSZACIVSA-N 2 0 315.288 3.910 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCCOc2cc(C)ccc21)N1CCCC1 ZINC000360079913 1031265351 /nfs/dbraw/zinc/26/53/51/1031265351.db2.gz VAJDGEVCYXYWHU-SJLPKXTDSA-N 2 0 302.462 3.673 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000360248552 1031345852 /nfs/dbraw/zinc/34/58/52/1031345852.db2.gz IMYVHGCBBUPCBV-PKOBYXMFSA-N 2 0 316.489 3.839 20 0 DHADRP FCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000777710219 1031392144 /nfs/dbraw/zinc/39/21/44/1031392144.db2.gz XGTPILZQJCLSOW-MJGOQNOKSA-N 2 0 302.437 3.605 20 0 DHADRP CCCC(CCC)[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001257340903 1031399417 /nfs/dbraw/zinc/39/94/17/1031399417.db2.gz PPJHVMJRAMYVPE-UHFFFAOYSA-N 2 0 311.558 3.695 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844925517 1031403983 /nfs/dbraw/zinc/40/39/83/1031403983.db2.gz QWOKLSAFSMFYPL-MGPQQGTHSA-N 2 0 307.309 3.861 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872023842 1031407702 /nfs/dbraw/zinc/40/77/02/1031407702.db2.gz WDSXAKFVESBHRW-CEXWTWQISA-N 2 0 322.537 3.826 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000360416235 1031418539 /nfs/dbraw/zinc/41/85/39/1031418539.db2.gz FDBPVOFPANQELD-IRXDYDNUSA-N 2 0 309.457 3.741 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)s2)cc1 ZINC000666855181 1031419772 /nfs/dbraw/zinc/41/97/72/1031419772.db2.gz CJVRYEHKMSGDOT-MRXNPFEDSA-N 2 0 300.471 3.955 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872040743 1031424972 /nfs/dbraw/zinc/42/49/72/1031424972.db2.gz MVYUBCGQJFSSPJ-QFBILLFUSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000536842195 1031451357 /nfs/dbraw/zinc/45/13/57/1031451357.db2.gz WQEWTNVHLAFPCG-ZWKOTPCHSA-N 2 0 317.521 3.771 20 0 DHADRP CC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)C1CCCCC1 ZINC000536863503 1031459560 /nfs/dbraw/zinc/45/95/60/1031459560.db2.gz LYOGQQCLBPYSKD-IBGZPJMESA-N 2 0 322.537 3.970 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000536875785 1031462619 /nfs/dbraw/zinc/46/26/19/1031462619.db2.gz KMSAWQTURNLAEW-STQMWFEESA-N 2 0 312.860 3.829 20 0 DHADRP CCc1cccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001144323413 1031464976 /nfs/dbraw/zinc/46/49/76/1031464976.db2.gz BFRFXYUBSPNVTK-UHFFFAOYSA-N 2 0 300.490 3.803 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666857723 1031481273 /nfs/dbraw/zinc/48/12/73/1031481273.db2.gz GSMISFJXGIAEKE-YZGWKJHDSA-N 2 0 316.489 3.842 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872090574 1031488584 /nfs/dbraw/zinc/48/85/84/1031488584.db2.gz CAYOGWYNZKUXRY-ZWKOTPCHSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)Oc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000537024609 1031489104 /nfs/dbraw/zinc/48/91/04/1031489104.db2.gz RJQXZSWCKNADNM-AEFFLSMTSA-N 2 0 304.478 3.999 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C1CC[NH+](C)CC1 ZINC000872106402 1031495458 /nfs/dbraw/zinc/49/54/58/1031495458.db2.gz GCIXJUQKMINNNO-JTQLQIEISA-N 2 0 306.397 3.587 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000537092425 1031506398 /nfs/dbraw/zinc/50/63/98/1031506398.db2.gz XBRQYIWNXYMQBG-SMOSDQRPSA-N 2 0 300.490 3.599 20 0 DHADRP CCCC[C@@H](CN)[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423298212 1031515857 /nfs/dbraw/zinc/51/58/57/1031515857.db2.gz NQJXLILWDLAUSQ-OCCSQVGLSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000537202945 1031536098 /nfs/dbraw/zinc/53/60/98/1031536098.db2.gz FKKMQVTUXOEQFU-MISYRCLQSA-N 2 0 300.490 3.671 20 0 DHADRP Cc1ccc(-c2cc(C[N@H+](C)CCCCCC[NH3+])on2)cc1 ZINC000872155842 1031536544 /nfs/dbraw/zinc/53/65/44/1031536544.db2.gz YCASABZZRXUNMV-UHFFFAOYSA-N 2 0 301.434 3.601 20 0 DHADRP Cc1ncc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156146 1031536677 /nfs/dbraw/zinc/53/66/77/1031536677.db2.gz FHXULDXTXNZVSW-YOEHRIQHSA-N 2 0 307.507 3.571 20 0 DHADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156005 1031537783 /nfs/dbraw/zinc/53/77/83/1031537783.db2.gz CJHGQAUHHVQAPS-JFIYKMOQSA-N 2 0 301.478 3.762 20 0 DHADRP Cc1ncsc1CC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156037 1031538050 /nfs/dbraw/zinc/53/80/50/1031538050.db2.gz CYZRPLOOGOAJPH-WBVHZDCISA-N 2 0 321.534 3.614 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]CCCC[NH+](C)C ZINC000537296286 1031560854 /nfs/dbraw/zinc/56/08/54/1031560854.db2.gz WXHIQDPHDVSPIB-UHFFFAOYSA-N 2 0 312.457 3.794 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCc2cccnc2)C1 ZINC000929642875 1031566905 /nfs/dbraw/zinc/56/69/05/1031566905.db2.gz BNWAYIRHCLWGKD-QUCCMNQESA-N 2 0 315.505 3.601 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)COC2 ZINC000293741291 1031594770 /nfs/dbraw/zinc/59/47/70/1031594770.db2.gz PFGBFHUZFFKXSJ-INIZCTEOSA-N 2 0 302.462 3.634 20 0 DHADRP Cc1ccoc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000293760021 1031607155 /nfs/dbraw/zinc/60/71/55/1031607155.db2.gz SAJPMZPEFIKCDH-REPLKXPHSA-N 2 0 310.441 3.873 20 0 DHADRP Cn1cccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293808424 1031635333 /nfs/dbraw/zinc/63/53/33/1031635333.db2.gz DUJBCRKTNAYGDY-UHFFFAOYSA-N 2 0 323.484 3.513 20 0 DHADRP C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210321 1031762267 /nfs/dbraw/zinc/76/22/67/1031762267.db2.gz BYTHIOKGPDFNJS-GXFFZTMASA-N 2 0 318.408 3.557 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220141 1031764912 /nfs/dbraw/zinc/76/49/12/1031764912.db2.gz KMTMFIORIJIFOI-OLZOCXBDSA-N 2 0 314.395 3.614 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(-c2ccncc2)cc1F ZINC000873231891 1031766195 /nfs/dbraw/zinc/76/61/95/1031766195.db2.gz XIANEHNCWGPLQX-UHFFFAOYSA-N 2 0 315.436 3.839 20 0 DHADRP CC(C)(C)c1cnc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873231677 1031766418 /nfs/dbraw/zinc/76/64/18/1031766418.db2.gz RBQLMRPXBNHKNO-CQSZACIVSA-N 2 0 321.534 3.843 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000873255108 1031775800 /nfs/dbraw/zinc/77/58/00/1031775800.db2.gz DDTRCEMIBLQBLD-KCPJHIHWSA-N 2 0 300.368 3.729 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000873256447 1031776956 /nfs/dbraw/zinc/77/69/56/1031776956.db2.gz MPYQUDKPDRSHCT-MPESAESLSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000873258899 1031777524 /nfs/dbraw/zinc/77/75/24/1031777524.db2.gz XCJNSBOWYUTKHI-KKXDTOCCSA-N 2 0 300.833 3.756 20 0 DHADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873257305 1031777842 /nfs/dbraw/zinc/77/78/42/1031777842.db2.gz GMPBVFPOIFCELK-ZWOKBUDYSA-N 2 0 324.468 3.962 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(C)ccc1OC ZINC000873263799 1031779131 /nfs/dbraw/zinc/77/91/31/1031779131.db2.gz KHRIYYASJGELOB-DFGXFYAUSA-N 2 0 302.462 3.575 20 0 DHADRP CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000873265221 1031780329 /nfs/dbraw/zinc/78/03/29/1031780329.db2.gz LFXLXDRAZSRYNE-WBMJQRKESA-N 2 0 312.404 3.717 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1OC(F)F ZINC000873260210 1031780578 /nfs/dbraw/zinc/78/05/78/1031780578.db2.gz VQVGYACDHGHKNO-FQLMCAECSA-N 2 0 324.415 3.859 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2ccncc2)cc1 ZINC000873266010 1031782145 /nfs/dbraw/zinc/78/21/45/1031782145.db2.gz YQUAUEAZKNORFR-WWEWDKITSA-N 2 0 321.468 3.930 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1OCC ZINC000873270367 1031782693 /nfs/dbraw/zinc/78/26/93/1031782693.db2.gz RPBARGRPPBFJND-GJZGRUSLSA-N 2 0 320.477 3.523 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873271189 1031783746 /nfs/dbraw/zinc/78/37/46/1031783746.db2.gz DUMVPBJWQGUVES-VHSXEESVSA-N 2 0 316.276 3.614 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273603 1031784946 /nfs/dbraw/zinc/78/49/46/1031784946.db2.gz JFDHHFTWRCASDX-LXTVHRRPSA-N 2 0 304.400 3.784 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000873271746 1031785002 /nfs/dbraw/zinc/78/50/02/1031785002.db2.gz KJACYVJSZPODLX-SWLSCSKDSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3cc(N)cc(F)c3)CC2)C1 ZINC000873286992 1031787989 /nfs/dbraw/zinc/78/79/89/1031787989.db2.gz AJGDUYHKMQBPPV-KUHUBIRLSA-N 2 0 319.468 3.541 20 0 DHADRP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000897969196 1031900621 /nfs/dbraw/zinc/90/06/21/1031900621.db2.gz GHSDDGKILIUWSB-UWVAXJGDSA-N 2 0 315.505 3.645 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000846221469 1031933943 /nfs/dbraw/zinc/93/39/43/1031933943.db2.gz YZZXZZPFFJWLPW-OAHLLOKOSA-N 2 0 321.534 3.720 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846227657 1031936894 /nfs/dbraw/zinc/93/68/94/1031936894.db2.gz FEVFORLKKKINHU-FHWLQOOXSA-N 2 0 302.462 3.500 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898317650 1032035873 /nfs/dbraw/zinc/03/58/73/1032035873.db2.gz LBSYACUXLCPDRY-IBGZPJMESA-N 2 0 301.478 3.633 20 0 DHADRP CC1(C)CC([NH2+]CC2CC[NH+](C3CCC3)CC2)CC(C)(C)O1 ZINC001172653421 1033305999 /nfs/dbraw/zinc/30/59/99/1033305999.db2.gz KWIFKMNBQOSCBY-UHFFFAOYSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1[nH]c2ccc(Nc3cccc(Cn4ccnc4)c3)cc2[nH+]1 ZINC001213074120 1033333775 /nfs/dbraw/zinc/33/37/75/1033333775.db2.gz FACGJTPKJSGIBD-UHFFFAOYSA-N 2 0 303.369 3.860 20 0 DHADRP Brc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643522555 1033338870 /nfs/dbraw/zinc/33/88/70/1033338870.db2.gz PGMMAMAEOCSEOV-CVEARBPZSA-N 2 0 323.278 3.632 20 0 DHADRP Brc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643522558 1033339403 /nfs/dbraw/zinc/33/94/03/1033339403.db2.gz PGMMAMAEOCSEOV-JKSUJKDBSA-N 2 0 323.278 3.632 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cs1 ZINC000643522801 1033341072 /nfs/dbraw/zinc/34/10/72/1033341072.db2.gz SQACQTNMCUSIRJ-BXUZGUMPSA-N 2 0 321.515 3.973 20 0 DHADRP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001172711938 1033347576 /nfs/dbraw/zinc/34/75/76/1033347576.db2.gz IGUOXMKMQUJLRR-GOSISDBHSA-N 2 0 318.892 3.804 20 0 DHADRP CC(C)(C[NH2+]C1CCC(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000477910422 1033363435 /nfs/dbraw/zinc/36/34/35/1033363435.db2.gz GGHGGCCMEMBPIL-UHFFFAOYSA-N 2 0 306.416 3.819 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC001172830822 1033393553 /nfs/dbraw/zinc/39/35/53/1033393553.db2.gz KFPRFPBVIDYJQC-FQEVSTJZSA-N 2 0 312.501 3.849 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)CC2 ZINC001172838289 1033406497 /nfs/dbraw/zinc/40/64/97/1033406497.db2.gz NSTQIGCTPJWUCU-RRWXTXHCSA-N 2 0 300.490 3.562 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC001172839934 1033409584 /nfs/dbraw/zinc/40/95/84/1033409584.db2.gz YBGPXVLKCZWQRN-OAQYLSRUSA-N 2 0 312.501 3.803 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C(F)F)cc1)CC2 ZINC000877684330 1033409876 /nfs/dbraw/zinc/40/98/76/1033409876.db2.gz MHMDUUWYHLHAQE-UHFFFAOYSA-N 2 0 308.416 3.932 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000877697931 1033412051 /nfs/dbraw/zinc/41/20/51/1033412051.db2.gz SCTXAKWFCWXLRN-QAPCUYQASA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC(C)(C)C[NH+](C)C ZINC001172841798 1033412551 /nfs/dbraw/zinc/41/25/51/1033412551.db2.gz MROJJYSYXKOIJI-GFCCVEGCSA-N 2 0 300.849 3.588 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1c(F)cccc1Cl ZINC001172860889 1033429975 /nfs/dbraw/zinc/42/99/75/1033429975.db2.gz IBYCDSLMACLOHS-CYBMUJFWSA-N 2 0 300.849 3.684 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC001172869998 1033440515 /nfs/dbraw/zinc/44/05/15/1033440515.db2.gz HDFJTJIYMZKORP-ZDUSSCGKSA-N 2 0 312.910 3.752 20 0 DHADRP CC(C)C[N@@H+](Cc1cc2cnccc2o1)CC1CC[NH+](C)CC1 ZINC000877767732 1033441928 /nfs/dbraw/zinc/44/19/28/1033441928.db2.gz VJMMOLBEWLJDAE-UHFFFAOYSA-N 2 0 315.461 3.628 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001172927781 1033471560 /nfs/dbraw/zinc/47/15/60/1033471560.db2.gz ZWJCJJGZYHXVKI-VQTJNVASSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(Cn2ccnc2)cc1 ZINC001212695363 1033491250 /nfs/dbraw/zinc/49/12/50/1033491250.db2.gz BVVOTQDGSXRHDM-UHFFFAOYSA-N 2 0 321.359 3.770 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173041498 1033508683 /nfs/dbraw/zinc/50/86/83/1033508683.db2.gz BIEADEXTOJOINW-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP CC(C)C[N@@H+](C1CCC2(CCOCC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173043995 1033511293 /nfs/dbraw/zinc/51/12/93/1033511293.db2.gz KWJRYSZJFFQATG-IYARVYRRSA-N 2 0 322.537 3.954 20 0 DHADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000877970496 1033533503 /nfs/dbraw/zinc/53/35/03/1033533503.db2.gz PSAMKMSHNXWAFO-VQTJNVASSA-N 2 0 316.489 3.570 20 0 DHADRP CCC[N@H+](CCC[NH3+])[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084546 1033538491 /nfs/dbraw/zinc/53/84/91/1033538491.db2.gz ZYMGWPRLJSBJOJ-ZDUSSCGKSA-N 2 0 318.383 3.577 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2COc3ccc(F)cc32)CC1 ZINC001173103226 1033540543 /nfs/dbraw/zinc/54/05/43/1033540543.db2.gz GBPMHTOWHJWIGK-VMBOVVBDSA-N 2 0 306.425 3.502 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(C(C)=O)cc2)CC1 ZINC001173103304 1033540979 /nfs/dbraw/zinc/54/09/79/1033540979.db2.gz HTPFRPRHZPTINS-UHFFFAOYSA-N 2 0 302.462 3.632 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)c2cccc(C)n2)CC1 ZINC001173106106 1033543345 /nfs/dbraw/zinc/54/33/45/1033543345.db2.gz IFPJWNSYOOOKPV-UHFFFAOYSA-N 2 0 317.521 3.910 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001173113696 1033547473 /nfs/dbraw/zinc/54/74/73/1033547473.db2.gz BXSAASWZLVFWDU-UYSNPLJNSA-N 2 0 307.507 3.933 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C2CCC2)C2CCOCC2)CC1 ZINC001173117733 1033550983 /nfs/dbraw/zinc/55/09/83/1033550983.db2.gz VWAQJRGYAYPUEJ-UHFFFAOYSA-N 2 0 308.510 3.673 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878105994 1033580913 /nfs/dbraw/zinc/58/09/13/1033580913.db2.gz FDJIFUAYRKRSBV-QRVBRYPASA-N 2 0 320.521 3.675 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878165033 1033604726 /nfs/dbraw/zinc/60/47/26/1033604726.db2.gz RXBPYZCLUYGAGD-VQTJNVASSA-N 2 0 316.489 3.713 20 0 DHADRP CCCC[C@@H](CC(C)C)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001173257635 1033629314 /nfs/dbraw/zinc/62/93/14/1033629314.db2.gz KKJGEXXUYOVEOY-IBGZPJMESA-N 2 0 311.558 3.551 20 0 DHADRP CCCC[C@H](CC(C)C)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001173257598 1033631010 /nfs/dbraw/zinc/63/10/10/1033631010.db2.gz BFVUJGFJTQCTQE-HXUWFJFHSA-N 2 0 323.569 3.551 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878329389 1033661189 /nfs/dbraw/zinc/66/11/89/1033661189.db2.gz YCAOPHMYICURST-QGZVFWFLSA-N 2 0 310.526 3.634 20 0 DHADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CC[C@@H](CC)C2)CC1 ZINC001173285432 1033677556 /nfs/dbraw/zinc/67/75/56/1033677556.db2.gz VWOGMMIAASCTIJ-WOJBJXKFSA-N 2 0 323.569 3.695 20 0 DHADRP CCCC[C@H]([NH3+])Cc1cn([C@@H]2CC[N@H+](CC)C2)c2ccccc12 ZINC001173352947 1033712142 /nfs/dbraw/zinc/71/21/42/1033712142.db2.gz GXEZUHXOMFSHBC-ZWKOTPCHSA-N 2 0 313.489 3.968 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)C[C@@](C)(C[NH3+])C1 ZINC001173473646 1033734564 /nfs/dbraw/zinc/73/45/64/1033734564.db2.gz GVLVTYLKDLGVNG-HNAYVOBHSA-N 2 0 322.443 3.565 20 0 DHADRP CC[NH+](CC)CC1CCN(Cc2ccc(F)c(F)c2F)CC1 ZINC000667501857 1033783355 /nfs/dbraw/zinc/78/33/55/1033783355.db2.gz NFEOIUDRECLMIN-UHFFFAOYSA-N 2 0 314.395 3.658 20 0 DHADRP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667503803 1033797277 /nfs/dbraw/zinc/79/72/77/1033797277.db2.gz XXRSCQFTNHDTEO-FQEVSTJZSA-N 2 0 318.424 3.913 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCCCC2 ZINC000479549236 1033805910 /nfs/dbraw/zinc/80/59/10/1033805910.db2.gz GCBUQSTZNYGXIO-GMNCBBECSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000479532551 1033806032 /nfs/dbraw/zinc/80/60/32/1033806032.db2.gz QBZRGRRIHNWRNG-ZACQAIPSSA-N 2 0 304.478 3.714 20 0 DHADRP Cc1ncsc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000174312900 1033922225 /nfs/dbraw/zinc/92/22/25/1033922225.db2.gz NJKDIIQIGGLYIE-UHFFFAOYSA-N 2 0 303.475 3.582 20 0 DHADRP CC(C)C[N@@H+](Cc1scnc1Cl)CC1CC[NH+](C)CC1 ZINC000879705891 1034093023 /nfs/dbraw/zinc/09/30/23/1034093023.db2.gz RWRAPBFYSULXFX-UHFFFAOYSA-N 2 0 315.914 3.596 20 0 DHADRP C[C@@H]([NH2+]CCC1(F)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554372879 1034122643 /nfs/dbraw/zinc/12/26/43/1034122643.db2.gz AYNKWKRWYZCHFE-SJLPKXTDSA-N 2 0 304.453 3.769 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)[C@@H](C)C1 ZINC000554390139 1034130336 /nfs/dbraw/zinc/13/03/36/1034130336.db2.gz FISDURYVHKSDOY-DSLXNQLJSA-N 2 0 316.489 3.552 20 0 DHADRP Cc1ccncc1CCC[NH2+]CCCCC[NH+]1CCCCC1 ZINC000290341897 1034134542 /nfs/dbraw/zinc/13/45/42/1034134542.db2.gz LENOKVMFPITDOW-UHFFFAOYSA-N 2 0 303.494 3.568 20 0 DHADRP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c(C)c1 ZINC000667664321 1034206392 /nfs/dbraw/zinc/20/63/92/1034206392.db2.gz IIEPQYMDLYFUQZ-SJLPKXTDSA-N 2 0 304.478 3.698 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249596651 1034251419 /nfs/dbraw/zinc/25/14/19/1034251419.db2.gz PVWWKTHTTXDLDY-RKVPGOIHSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@@H](c1ccco1)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000178613646 1034251854 /nfs/dbraw/zinc/25/18/54/1034251854.db2.gz GNCLQWQJFUIVEA-HOTGVXAUSA-N 2 0 320.433 3.575 20 0 DHADRP FC1CC[NH+](CC(C[NH+]2CCC(F)CC2)c2ccccc2)CC1 ZINC000880238827 1034255706 /nfs/dbraw/zinc/25/57/06/1034255706.db2.gz MJVLFTPJBFNMCX-UHFFFAOYSA-N 2 0 322.443 3.638 20 0 DHADRP c1cn2cc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ccc2[nH+]1 ZINC001174278795 1034272123 /nfs/dbraw/zinc/27/21/23/1034272123.db2.gz IOQLNMMEMLACSC-UHFFFAOYSA-N 2 0 322.412 3.553 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1C1CC[NH+](CC2CC2)CC1 ZINC001168363097 1034277444 /nfs/dbraw/zinc/27/74/44/1034277444.db2.gz SKTHJMOEAAXKJE-HNNXBMFYSA-N 2 0 324.472 3.617 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000480608288 1034340418 /nfs/dbraw/zinc/34/04/18/1034340418.db2.gz HADRKBPRRDIIEJ-QFBILLFUSA-N 2 0 316.489 3.784 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000480637400 1034369575 /nfs/dbraw/zinc/36/95/75/1034369575.db2.gz FIRUPJUVRQTXHG-KRWDZBQOSA-N 2 0 304.478 3.858 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCCCC1 ZINC000480659339 1034378086 /nfs/dbraw/zinc/37/80/86/1034378086.db2.gz FKEURINFIVDCFV-PKOBYXMFSA-N 2 0 322.537 3.968 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCCc2ccc(F)c(F)c2)CC1 ZINC000480658246 1034379259 /nfs/dbraw/zinc/37/92/59/1034379259.db2.gz BBSKRRORTPPTRG-UHFFFAOYSA-N 2 0 310.432 3.752 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCCCC1 ZINC000480679188 1034397103 /nfs/dbraw/zinc/39/71/03/1034397103.db2.gz JFSKJVNIHLWCEX-PKOBYXMFSA-N 2 0 322.537 3.968 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000554880586 1034399557 /nfs/dbraw/zinc/39/95/57/1034399557.db2.gz KXDMQHKIRSJGPK-KRWDZBQOSA-N 2 0 308.416 3.788 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000184485739 1034478550 /nfs/dbraw/zinc/47/85/50/1034478550.db2.gz UVZNHFVFKGWLKJ-GVDBMIGSSA-N 2 0 301.478 3.694 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cc2c1C ZINC000480927495 1034511006 /nfs/dbraw/zinc/51/10/06/1034511006.db2.gz NDAAXLWREQQDTD-UHFFFAOYSA-N 2 0 313.489 3.996 20 0 DHADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835718 1034539262 /nfs/dbraw/zinc/53/92/62/1034539262.db2.gz ULWNGAVIBDPVFG-AWEZNQCLSA-N 2 0 317.864 3.662 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(O)cc(F)c2)c1 ZINC000185471678 1034551339 /nfs/dbraw/zinc/55/13/39/1034551339.db2.gz KIMFKDKIOGKIDO-UHFFFAOYSA-N 2 0 316.420 3.663 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865451459 1034654229 /nfs/dbraw/zinc/65/42/29/1034654229.db2.gz OTKIRCHBFXCEDV-UHFFFAOYSA-N 2 0 315.436 3.586 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481393214 1034809625 /nfs/dbraw/zinc/80/96/25/1034809625.db2.gz QWVNBQZBERLGRC-VQIMIIECSA-N 2 0 304.453 3.880 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192903992 1034821657 /nfs/dbraw/zinc/82/16/57/1034821657.db2.gz BPFFNYKBSIMZFO-IBGZPJMESA-N 2 0 301.478 3.645 20 0 DHADRP Cc1c(C)c(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(C)c1C ZINC001175203340 1034847480 /nfs/dbraw/zinc/84/74/80/1034847480.db2.gz LESCCWZIQXOUJR-MOPGFXCFSA-N 2 0 300.490 3.612 20 0 DHADRP CCCC[C@H](CC)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000555686135 1034867912 /nfs/dbraw/zinc/86/79/12/1034867912.db2.gz ASILMICFACLGBT-HTUJPFKRSA-N 2 0 310.526 3.776 20 0 DHADRP CCCc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000555962929 1034984010 /nfs/dbraw/zinc/98/40/10/1034984010.db2.gz KHHAFUIFIIVACI-HNNXBMFYSA-N 2 0 309.457 3.505 20 0 DHADRP Cc1ccc([C@@H]2CC[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000667971364 1035013343 /nfs/dbraw/zinc/01/33/43/1035013343.db2.gz MLSICTWGVNVIHB-GOSISDBHSA-N 2 0 318.424 3.565 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC001175600858 1035038186 /nfs/dbraw/zinc/03/81/86/1035038186.db2.gz DGXNFQDRHBVZLA-IBGZPJMESA-N 2 0 303.494 3.504 20 0 DHADRP CCCc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000482015279 1035049648 /nfs/dbraw/zinc/04/96/48/1035049648.db2.gz IWDVFMZTTGIQJS-FQEVSTJZSA-N 2 0 300.490 3.803 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000482059491 1035052592 /nfs/dbraw/zinc/05/25/92/1035052592.db2.gz GHWNPSWFRLOCDH-OEWOMKROSA-N 2 0 324.871 3.987 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000482354404 1035087328 /nfs/dbraw/zinc/08/73/28/1035087328.db2.gz DAUPPMISILHHNE-HXUWFJFHSA-N 2 0 300.490 3.638 20 0 DHADRP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C(C)C ZINC000482549931 1035131752 /nfs/dbraw/zinc/13/17/52/1035131752.db2.gz BEGJWDOXLMVXDV-HXUWFJFHSA-N 2 0 318.505 3.679 20 0 DHADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000482970353 1035207637 /nfs/dbraw/zinc/20/76/37/1035207637.db2.gz JOOHCNPKQRJUDE-IBGZPJMESA-N 2 0 304.453 3.867 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000162568041 1035257457 /nfs/dbraw/zinc/25/74/57/1035257457.db2.gz TUKIHPZCHQLFGP-VQIMIIECSA-N 2 0 318.505 3.653 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483467589 1035272575 /nfs/dbraw/zinc/27/25/75/1035272575.db2.gz CNODBQQKFRGBKG-TZIWHRDSSA-N 2 0 324.468 3.635 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000483722022 1035292440 /nfs/dbraw/zinc/29/24/40/1035292440.db2.gz HWIJEXXBNUVUAA-IVDHNXQLSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1CCC[NH3+] ZINC000903463808 1035307835 /nfs/dbraw/zinc/30/78/35/1035307835.db2.gz OEOQQPQQNQVNJK-VDHUWJSZSA-N 2 0 322.443 3.875 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000484313107 1035328847 /nfs/dbraw/zinc/32/88/47/1035328847.db2.gz UBVLKGUJJSCFQR-QZTJIDSGSA-N 2 0 306.494 3.619 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000484300801 1035329357 /nfs/dbraw/zinc/32/93/57/1035329357.db2.gz SNCMJJKRIUBKQA-YJBOKZPZSA-N 2 0 304.478 3.856 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000484313108 1035329506 /nfs/dbraw/zinc/32/95/06/1035329506.db2.gz UBVLKGUJJSCFQR-ROUUACIJSA-N 2 0 306.494 3.619 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(CC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC001177328444 1035363627 /nfs/dbraw/zinc/36/36/27/1035363627.db2.gz NQAKKHJNDSEEEH-CQSZACIVSA-N 2 0 314.395 3.613 20 0 DHADRP C[C@H](CCc1ccccc1)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001177416069 1035369497 /nfs/dbraw/zinc/36/94/97/1035369497.db2.gz HVFHNUILDXTANM-MOPGFXCFSA-N 2 0 302.506 3.967 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccccc1C1CC1 ZINC001177529909 1035377164 /nfs/dbraw/zinc/37/71/64/1035377164.db2.gz USMOITIKOKBJDW-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC001177529680 1035377431 /nfs/dbraw/zinc/37/74/31/1035377431.db2.gz SYQZOBZWBMPQJL-KRWDZBQOSA-N 2 0 304.478 3.685 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC001177737366 1035390540 /nfs/dbraw/zinc/39/05/40/1035390540.db2.gz MNNANRGFYUMRFE-UHFFFAOYSA-N 2 0 314.395 3.975 20 0 DHADRP CCOc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206311492 1035400987 /nfs/dbraw/zinc/40/09/87/1035400987.db2.gz PZXFFWMFHMBDML-KRWDZBQOSA-N 2 0 310.869 3.690 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904354273 1035402560 /nfs/dbraw/zinc/40/25/60/1035402560.db2.gz DATBBHYOFAJCTN-HAQNSBGRSA-N 2 0 300.368 3.618 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCCSC1 ZINC000484803524 1035402865 /nfs/dbraw/zinc/40/28/65/1035402865.db2.gz OGFURMFRYJFBDH-QGZVFWFLSA-N 2 0 306.519 3.630 20 0 DHADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H](O)c1ccc2ccccc2c1 ZINC000904360653 1035403428 /nfs/dbraw/zinc/40/34/28/1035403428.db2.gz NJGGNVUFJLCZPE-RTBURBONSA-N 2 0 314.473 3.616 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccs1 ZINC001177981828 1035405188 /nfs/dbraw/zinc/40/51/88/1035405188.db2.gz SATQOAKFCFXZSJ-HZPDHXFCSA-N 2 0 314.498 3.994 20 0 DHADRP [NH3+]CC1CC([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)C1 ZINC000904369112 1035406506 /nfs/dbraw/zinc/40/65/06/1035406506.db2.gz YFBOHEJXWOBOLT-PZDCSQOYSA-N 2 0 318.464 3.611 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001178156715 1035411553 /nfs/dbraw/zinc/41/15/53/1035411553.db2.gz BSHQYHGYMUVTKP-KZNAEPCWSA-N 2 0 312.542 3.928 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)C1 ZINC000904428290 1035412415 /nfs/dbraw/zinc/41/24/15/1035412415.db2.gz IYCMMZNLEUNWLX-CAUGKJMWSA-N 2 0 308.425 3.578 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1C ZINC000904445884 1035416333 /nfs/dbraw/zinc/41/63/33/1035416333.db2.gz SWZPKDTWTHCGJN-CYBMUJFWSA-N 2 0 316.470 3.562 20 0 DHADRP C[C@H](CCc1ccccc1)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001178449692 1035427181 /nfs/dbraw/zinc/42/71/81/1035427181.db2.gz VCCXQIRDCYDYBZ-GOSISDBHSA-N 2 0 302.506 3.967 20 0 DHADRP CC(C)C1CCC(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001178474052 1035430779 /nfs/dbraw/zinc/43/07/79/1035430779.db2.gz YSSHDQHOUSCMQY-LMDPOFIKSA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178746969 1035444746 /nfs/dbraw/zinc/44/47/46/1035444746.db2.gz IRKYFOVVNLBIJG-QZTJIDSGSA-N 2 0 304.478 3.543 20 0 DHADRP CC1(C)CC2(CO1)CCC([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001178810226 1035449064 /nfs/dbraw/zinc/44/90/64/1035449064.db2.gz HVEOTZHQDOZXHF-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC001178916871 1035454629 /nfs/dbraw/zinc/45/46/29/1035454629.db2.gz PYJZOUIIYJABKO-UHFFFAOYSA-N 2 0 305.303 3.643 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001178916588 1035454838 /nfs/dbraw/zinc/45/48/38/1035454838.db2.gz INSNPMQQEHVZJC-UHFFFAOYSA-N 2 0 317.392 3.786 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001178917180 1035454879 /nfs/dbraw/zinc/45/48/79/1035454879.db2.gz VIXQBLSLNSPVTB-LBPRGKRZSA-N 2 0 301.261 3.815 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001178916899 1035455023 /nfs/dbraw/zinc/45/50/23/1035455023.db2.gz QZZLEHVFHVXLBX-MRXNPFEDSA-N 2 0 316.489 3.612 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cc(F)ccc3F)cc2)CC1 ZINC000904840984 1035461157 /nfs/dbraw/zinc/46/11/57/1035461157.db2.gz NJPDLZZOAQJGST-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CCCCC1 ZINC001179091713 1035464978 /nfs/dbraw/zinc/46/49/78/1035464978.db2.gz XDBNMMRFVXTDNP-IPMKNSEASA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC001180083419 1035591554 /nfs/dbraw/zinc/59/15/54/1035591554.db2.gz YWHFCIDROOAWAZ-QYZOEREBSA-N 2 0 310.526 3.636 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC001193324815 1035606661 /nfs/dbraw/zinc/60/66/61/1035606661.db2.gz SPSMZXSZPVDRRR-IBGZPJMESA-N 2 0 322.537 3.922 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CC(C)(C)Oc2ccccc2)CC1 ZINC001180161573 1035613790 /nfs/dbraw/zinc/61/37/90/1035613790.db2.gz HRFVMBWWWGOEMD-UHFFFAOYSA-N 2 0 304.478 3.650 20 0 DHADRP CCOc1cccc(F)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC001180166963 1035616149 /nfs/dbraw/zinc/61/61/49/1035616149.db2.gz WYEPICGUYXBUSI-UHFFFAOYSA-N 2 0 322.468 3.777 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cnn1C(C)(C)C ZINC000191293541 1035678405 /nfs/dbraw/zinc/67/84/05/1035678405.db2.gz HEXZAJCQGUQCMZ-WMLDXEAASA-N 2 0 322.541 3.964 20 0 DHADRP C[C@@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000668511187 1035727997 /nfs/dbraw/zinc/72/79/97/1035727997.db2.gz DACCUNDQVLOZGJ-SFHVURJKSA-N 2 0 323.484 3.687 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC001180635428 1035736559 /nfs/dbraw/zinc/73/65/59/1035736559.db2.gz ZVNHKWJCLNVXFE-HOJAQTOUSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539507107 1035755461 /nfs/dbraw/zinc/75/54/61/1035755461.db2.gz CUIODOUCKBVJRW-GFCCVEGCSA-N 2 0 304.821 3.999 20 0 DHADRP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000539498614 1035760132 /nfs/dbraw/zinc/76/01/32/1035760132.db2.gz UXRYYFVURBUYRB-ILOCAZANSA-N 2 0 322.537 3.536 20 0 DHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000192795871 1035817859 /nfs/dbraw/zinc/81/78/59/1035817859.db2.gz YDIQQSBQYHRRBN-OALUTQOASA-N 2 0 323.569 3.597 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cccc(F)c3F)c2)CC1 ZINC000906195126 1035850123 /nfs/dbraw/zinc/85/01/23/1035850123.db2.gz ZBVLRWZRWWOQCB-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400982043 1035854545 /nfs/dbraw/zinc/85/45/45/1035854545.db2.gz SHTHSOJWBDLJJQ-DZJNRPSUSA-N 2 0 302.462 3.513 20 0 DHADRP Cc1oc2ccccc2c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000539849533 1035902741 /nfs/dbraw/zinc/90/27/41/1035902741.db2.gz CJZKBVVOSKUKRS-QGZVFWFLSA-N 2 0 312.457 3.905 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000539980428 1035948194 /nfs/dbraw/zinc/94/81/94/1035948194.db2.gz LXOYFCOTOORAJR-SXLOBPIMSA-N 2 0 324.553 3.950 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001168370594 1035982777 /nfs/dbraw/zinc/98/27/77/1035982777.db2.gz BXCAVKWMWICPCW-HXUWFJFHSA-N 2 0 314.473 3.537 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000540151062 1035986124 /nfs/dbraw/zinc/98/61/24/1035986124.db2.gz MYBIKDRLDXZGSM-KXBFYZLASA-N 2 0 304.453 3.771 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)[C@H](C)C1 ZINC000540183964 1036003089 /nfs/dbraw/zinc/00/30/89/1036003089.db2.gz LVVPGWXULNTGEG-VQIMIIECSA-N 2 0 318.505 3.683 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000906589714 1036012582 /nfs/dbraw/zinc/01/25/82/1036012582.db2.gz XCNJWNTUMXHIJH-QTLCSOKXSA-N 2 0 316.464 3.924 20 0 DHADRP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)o1 ZINC001203297581 1036015633 /nfs/dbraw/zinc/01/56/33/1036015633.db2.gz LGYWESNWEXVKJQ-UHFFFAOYSA-N 2 0 310.441 3.686 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000540223117 1036019826 /nfs/dbraw/zinc/01/98/26/1036019826.db2.gz ZYPHJTUQFYFRIC-DOXZYTNZSA-N 2 0 316.489 3.792 20 0 DHADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001182250082 1036148431 /nfs/dbraw/zinc/14/84/31/1036148431.db2.gz IHSAWOMGPISCPG-ROUUACIJSA-N 2 0 314.517 3.818 20 0 DHADRP CC[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000540788013 1036155328 /nfs/dbraw/zinc/15/53/28/1036155328.db2.gz RWXODIOTWQNOPH-QAPCUYQASA-N 2 0 316.493 3.603 20 0 DHADRP CC(C)[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000540988348 1036210347 /nfs/dbraw/zinc/21/03/47/1036210347.db2.gz IVODFENKLDEZCZ-KRWDZBQOSA-N 2 0 310.432 3.983 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000541534701 1036353008 /nfs/dbraw/zinc/35/30/08/1036353008.db2.gz UUGMLLZVOPENBI-SIXWZSSISA-N 2 0 310.445 3.729 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000541534688 1036354351 /nfs/dbraw/zinc/35/43/51/1036354351.db2.gz UUGMLLZVOPENBI-ALKREAHSSA-N 2 0 310.445 3.729 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486700710 1036366849 /nfs/dbraw/zinc/36/68/49/1036366849.db2.gz ZJMIWEAONBABLE-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP Cn1cncc1CCC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653761875 1036367668 /nfs/dbraw/zinc/36/76/68/1036367668.db2.gz LOMXWCXMLWWQKA-LJQANCHMSA-N 2 0 309.457 3.622 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccsc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603146 1036387265 /nfs/dbraw/zinc/38/72/65/1036387265.db2.gz NRNQSERGGMKCOJ-WBVHZDCISA-N 2 0 306.519 3.923 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(F)c1F ZINC000658356471 1036405295 /nfs/dbraw/zinc/40/52/95/1036405295.db2.gz OHYNAEOTBPOFCG-ZDUSSCGKSA-N 2 0 308.416 3.737 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000486790781 1036408720 /nfs/dbraw/zinc/40/87/20/1036408720.db2.gz ZBRSVXXGFSPVGZ-UHFFFAOYSA-N 2 0 315.288 3.810 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000541739656 1036416081 /nfs/dbraw/zinc/41/60/81/1036416081.db2.gz OKOZFCKBNQJGNU-KRWDZBQOSA-N 2 0 314.473 3.849 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H](C)c1ccccc1 ZINC000658355392 1036447761 /nfs/dbraw/zinc/44/77/61/1036447761.db2.gz IMWDMAMXTNITHK-SJORKVTESA-N 2 0 300.490 3.890 20 0 DHADRP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)C2 ZINC000541988029 1036480946 /nfs/dbraw/zinc/48/09/46/1036480946.db2.gz IVNDGLOQPCLPRA-NQIIRXRSSA-N 2 0 312.501 3.742 20 0 DHADRP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC001204358819 1036492262 /nfs/dbraw/zinc/49/22/62/1036492262.db2.gz MGUCUKVGKPHNAQ-QAPCUYQASA-N 2 0 304.478 3.957 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC001183146148 1036525889 /nfs/dbraw/zinc/52/58/89/1036525889.db2.gz PUUYVGUIJLGVKE-YLJYHZDGSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccccc2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC001183354850 1036572649 /nfs/dbraw/zinc/57/26/49/1036572649.db2.gz HYORDDFHZFGPSQ-UXPWSPDFSA-N 2 0 312.501 3.674 20 0 DHADRP CC(C)Cc1ccc(CN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1 ZINC001196632119 1036583908 /nfs/dbraw/zinc/58/39/08/1036583908.db2.gz MNQCPMWOZMVFKW-WOJBJXKFSA-N 2 0 300.490 3.659 20 0 DHADRP Cc1cc(CN2CCC[C@](C)([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205280473 1036649621 /nfs/dbraw/zinc/64/96/21/1036649621.db2.gz ADZJUKDBTWJGAG-HNNXBMFYSA-N 2 0 300.368 3.717 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000487310430 1036650580 /nfs/dbraw/zinc/65/05/80/1036650580.db2.gz YAPQLAKPXAKKCB-UHFFFAOYSA-N 2 0 324.896 3.950 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134578 1036743933 /nfs/dbraw/zinc/74/39/33/1036743933.db2.gz FLDQPZCMFJRQIM-QAPCUYQASA-N 2 0 318.530 3.661 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC001168490067 1036754889 /nfs/dbraw/zinc/75/48/89/1036754889.db2.gz HDUGRZFTTYIVEA-MRXNPFEDSA-N 2 0 306.469 3.809 20 0 DHADRP c1ccc(C[C@@H]2C[C@@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001184338270 1036818832 /nfs/dbraw/zinc/81/88/32/1036818832.db2.gz MBOHFBYYFIXQDD-RTBURBONSA-N 2 0 321.468 3.519 20 0 DHADRP CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000668817854 1036819401 /nfs/dbraw/zinc/81/94/01/1036819401.db2.gz AYFJAEAMAVUIDN-PELRDEGISA-N 2 0 312.501 3.818 20 0 DHADRP Clc1cccc(CC[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000668817834 1036823425 /nfs/dbraw/zinc/82/34/25/1036823425.db2.gz AQGAHUZSBBRLSY-KRWDZBQOSA-N 2 0 306.881 3.594 20 0 DHADRP CSCCCCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000235104455 1036873939 /nfs/dbraw/zinc/87/39/39/1036873939.db2.gz RMZYMXHCSCOVMK-UHFFFAOYSA-N 2 0 307.507 3.563 20 0 DHADRP COc1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)ccc1C ZINC000924832565 1036924056 /nfs/dbraw/zinc/92/40/56/1036924056.db2.gz UAILTBFUMFOWPX-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000236643580 1036972656 /nfs/dbraw/zinc/97/26/56/1036972656.db2.gz QMZJJDHBBUZWAC-UHFFFAOYSA-N 2 0 304.453 3.924 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000237254352 1037000329 /nfs/dbraw/zinc/00/03/29/1037000329.db2.gz VPFREAGWHSQUKK-MSOLQXFVSA-N 2 0 318.505 3.728 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000237253962 1037002344 /nfs/dbraw/zinc/00/23/44/1037002344.db2.gz INTRYEJXDUSALK-INIZCTEOSA-N 2 0 318.505 3.869 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)cc1F ZINC000488423552 1037004729 /nfs/dbraw/zinc/00/47/29/1037004729.db2.gz BGAHHXSAZHKDQL-DOTOQJQBSA-N 2 0 324.509 3.897 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488428735 1037015624 /nfs/dbraw/zinc/01/56/24/1037015624.db2.gz DLBRGXJJEBMTLQ-ZWKOTPCHSA-N 2 0 310.551 3.761 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000309663572 1037168070 /nfs/dbraw/zinc/16/80/70/1037168070.db2.gz NPQLOVPODPBARP-IBGZPJMESA-N 2 0 312.432 3.746 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001199045517 1037187937 /nfs/dbraw/zinc/18/79/37/1037187937.db2.gz IGQDXNMLNVKTHU-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP Clc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309842163 1037188405 /nfs/dbraw/zinc/18/84/05/1037188405.db2.gz WPCYDLDXSJRSAJ-SFHVURJKSA-N 2 0 314.860 3.952 20 0 DHADRP CCc1cccc(F)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001199345996 1037242362 /nfs/dbraw/zinc/24/23/62/1037242362.db2.gz VSFMBRIUEHHTLV-MRXNPFEDSA-N 2 0 306.469 3.990 20 0 DHADRP CC(C)Cc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cn1 ZINC001199329093 1037244001 /nfs/dbraw/zinc/24/40/01/1037244001.db2.gz NADSUDZDWSZXQS-UHFFFAOYSA-N 2 0 317.521 3.882 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000322854242 1037251285 /nfs/dbraw/zinc/25/12/85/1037251285.db2.gz QXMLWHCEYAMXQO-QMTMVMCOSA-N 2 0 309.457 3.762 20 0 DHADRP COCCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000178455329 1037317644 /nfs/dbraw/zinc/31/76/44/1037317644.db2.gz ZZOKAOMTQHNCPJ-ICSRJNTNSA-N 2 0 318.505 3.864 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]CC1CCC(C)(C)CC1 ZINC001199821900 1037351844 /nfs/dbraw/zinc/35/18/44/1037351844.db2.gz BFLDVLSCZSUOMJ-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001205901553 1037440753 /nfs/dbraw/zinc/44/07/53/1037440753.db2.gz DDZVBAKENWPZMQ-YPMHNXCESA-N 2 0 318.408 3.858 20 0 DHADRP CC(C)(C)n1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC001200879462 1037456975 /nfs/dbraw/zinc/45/69/75/1037456975.db2.gz JXVUCTBSPSGEAT-UHFFFAOYSA-N 2 0 318.509 3.525 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205913720 1037573807 /nfs/dbraw/zinc/57/38/07/1037573807.db2.gz JGLYOAKBKMRDCJ-OLZOCXBDSA-N 2 0 300.368 3.573 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000397999088 1037577563 /nfs/dbraw/zinc/57/75/63/1037577563.db2.gz DHMRIXGQCBFADQ-JXFKEZNVSA-N 2 0 312.432 3.826 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000493976595 1037603100 /nfs/dbraw/zinc/60/31/00/1037603100.db2.gz JUBSCJKHDUZVKY-OXJNMPFZSA-N 2 0 312.457 3.614 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000494005979 1037617410 /nfs/dbraw/zinc/61/74/10/1037617410.db2.gz FIWCVCSEFWEXNX-UHFFFAOYSA-N 2 0 317.502 3.816 20 0 DHADRP CC(C)(C)OC1CC([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000490137656 1037620236 /nfs/dbraw/zinc/62/02/36/1037620236.db2.gz RSKKRRUNNOGRMC-UHFFFAOYSA-N 2 0 308.510 3.577 20 0 DHADRP c1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CC=CCC2)CC3)co1 ZINC001201415296 1037655063 /nfs/dbraw/zinc/65/50/63/1037655063.db2.gz BFYLVURORCFGHI-SFHVURJKSA-N 2 0 314.473 3.924 20 0 DHADRP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@H]4CC=CCC4)C[C@@H]3C2)cc1 ZINC001201428633 1037668896 /nfs/dbraw/zinc/66/88/96/1037668896.db2.gz RGZHNXXHQVSZNT-SESVDKBCSA-N 2 0 310.485 3.797 20 0 DHADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000490375275 1037700450 /nfs/dbraw/zinc/70/04/50/1037700450.db2.gz PTQYPLCOWVKMQA-SFHVURJKSA-N 2 0 306.881 3.991 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000123359859 1037717736 /nfs/dbraw/zinc/71/77/36/1037717736.db2.gz HPCQQLPMRYLVHE-UHFFFAOYSA-N 2 0 310.432 3.561 20 0 DHADRP c1cc(C[N@H+]2CCC3(C2)CC[NH+](CCc2ccccc2)CC3)co1 ZINC001201598475 1037778890 /nfs/dbraw/zinc/77/88/90/1037778890.db2.gz POOBXSGIQSIZJO-UHFFFAOYSA-N 2 0 324.468 3.810 20 0 DHADRP CSCCC[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001201681220 1037830678 /nfs/dbraw/zinc/83/06/78/1037830678.db2.gz UADURIPMVCUZDZ-KRWDZBQOSA-N 2 0 322.518 3.709 20 0 DHADRP CSCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201695758 1037844371 /nfs/dbraw/zinc/84/43/71/1037844371.db2.gz DJIRPKFUVPVAEX-IBGZPJMESA-N 2 0 318.530 3.728 20 0 DHADRP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186330597 1037890584 /nfs/dbraw/zinc/89/05/84/1037890584.db2.gz NBAWZKYTDJFAPP-LPHOPBHVSA-N 2 0 317.521 3.530 20 0 DHADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125489732 1037937957 /nfs/dbraw/zinc/93/79/57/1037937957.db2.gz HQIODOUBHDFMMY-KRWDZBQOSA-N 2 0 324.534 3.755 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000126199815 1038047513 /nfs/dbraw/zinc/04/75/13/1038047513.db2.gz BRUNFEOCGMQJMB-GFCCVEGCSA-N 2 0 316.367 3.578 20 0 DHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570927720 1038051723 /nfs/dbraw/zinc/05/17/23/1038051723.db2.gz HMTDZEQAOWFCBE-GOSISDBHSA-N 2 0 324.468 3.670 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c3ccccc23)CC1 ZINC000261676609 1038069080 /nfs/dbraw/zinc/06/90/80/1038069080.db2.gz HQZQGTIQUHJHOG-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494456736 1038106877 /nfs/dbraw/zinc/10/68/77/1038106877.db2.gz YBONHWOZUKALCD-KURKYZTESA-N 2 0 322.880 3.634 20 0 DHADRP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000571447744 1038141113 /nfs/dbraw/zinc/14/11/13/1038141113.db2.gz HTFYACVSJVQAQL-GOSISDBHSA-N 2 0 319.452 3.961 20 0 DHADRP C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(Br)cc1F ZINC000127054529 1038145550 /nfs/dbraw/zinc/14/55/50/1038145550.db2.gz SVGDKEYRLGLHOL-WDEREUQCSA-N 2 0 317.246 3.579 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000917069213 1038167634 /nfs/dbraw/zinc/16/76/34/1038167634.db2.gz MQQGBOCKTOVVNC-AWEZNQCLSA-N 2 0 307.309 3.624 20 0 DHADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000571941695 1038282638 /nfs/dbraw/zinc/28/26/38/1038282638.db2.gz TXPDVJOJSXDOMR-RTBURBONSA-N 2 0 320.521 3.580 20 0 DHADRP CO[C@@H](C)C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC001191097791 1038437077 /nfs/dbraw/zinc/43/70/77/1038437077.db2.gz BKCKGUQTVHRABB-SFHVURJKSA-N 2 0 318.505 3.918 20 0 DHADRP C[C@@H](COCc1ccccc1)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001191260067 1038469717 /nfs/dbraw/zinc/46/97/17/1038469717.db2.gz ZCHUFOFJALHWSK-UYAOXDASSA-N 2 0 318.505 3.646 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000045598290 1038509899 /nfs/dbraw/zinc/50/98/99/1038509899.db2.gz BVIGVMCAXCIGFQ-UHFFFAOYSA-N 2 0 306.397 3.730 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC2C[C@H](C)C[C@@H](C)C2)C1 ZINC001191454759 1038511634 /nfs/dbraw/zinc/51/16/34/1038511634.db2.gz QSTJXBMNYSMBIS-QWFCFKBJSA-N 2 0 324.553 3.882 20 0 DHADRP CO[C@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C1CCC1 ZINC001191550852 1038520362 /nfs/dbraw/zinc/52/03/62/1038520362.db2.gz NKFAWOQOGRIEOK-YLJYHZDGSA-N 2 0 322.537 3.778 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000589638405 1038525372 /nfs/dbraw/zinc/52/53/72/1038525372.db2.gz YRSKHFXHCDAZLY-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000589640748 1038526277 /nfs/dbraw/zinc/52/62/77/1038526277.db2.gz PFVAKTUKYOZBIN-UHFFFAOYSA-N 2 0 322.456 3.693 20 0 DHADRP c1coc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001203290001 1038556171 /nfs/dbraw/zinc/55/61/71/1038556171.db2.gz SWIVRQDWNSDVBZ-OALUTQOASA-N 2 0 310.441 3.624 20 0 DHADRP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591162 1038620096 /nfs/dbraw/zinc/62/00/96/1038620096.db2.gz FWKDFZBUYTVKPS-HNNXBMFYSA-N 2 0 319.251 3.955 20 0 DHADRP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205592134 1038632303 /nfs/dbraw/zinc/63/23/03/1038632303.db2.gz RHYSWZVBNFTNAX-OAHLLOKOSA-N 2 0 319.251 3.955 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@H]1C[NH3+] ZINC001205605113 1038697174 /nfs/dbraw/zinc/69/71/74/1038697174.db2.gz ZABWHBLJEXIJRF-YPMHNXCESA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205605109 1038697566 /nfs/dbraw/zinc/69/75/66/1038697566.db2.gz ZABWHBLJEXIJRF-DGCLKSJQSA-N 2 0 318.358 3.651 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000573095849 1038786053 /nfs/dbraw/zinc/78/60/53/1038786053.db2.gz KDKOUXWDWNVCOQ-UHFFFAOYSA-N 2 0 318.795 3.502 20 0 DHADRP CCC[NH+]1CCC(/[NH+]=C/c2ccc(N(CC)CC)cc2O)CC1 ZINC000061002226 1038849670 /nfs/dbraw/zinc/84/96/70/1038849670.db2.gz USGUBSJYCWDLSE-HMMYKYKNSA-N 2 0 317.477 3.532 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1cnccc1C ZINC000573248500 1038887498 /nfs/dbraw/zinc/88/74/98/1038887498.db2.gz VVWPWTITGWTCQK-WOJBJXKFSA-N 2 0 317.521 3.813 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000598953361 1038962125 /nfs/dbraw/zinc/96/21/25/1038962125.db2.gz URDOJRVHTLVXHS-QGZVFWFLSA-N 2 0 306.519 3.691 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419581 1039000928 /nfs/dbraw/zinc/00/09/28/1039000928.db2.gz LWGPYWPVHSLXCD-HPDBWDTBSA-N 2 0 306.519 3.950 20 0 DHADRP COC1(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000574058041 1039397751 /nfs/dbraw/zinc/39/77/51/1039397751.db2.gz PVXBVGCIOVZSST-GOSISDBHSA-N 2 0 308.510 3.534 20 0 DHADRP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC1CC[NH2+]CC1 ZINC000094011396 1039629365 /nfs/dbraw/zinc/62/93/65/1039629365.db2.gz BYWZJIRJQIFXTN-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168421150 1039775713 /nfs/dbraw/zinc/77/57/13/1039775713.db2.gz ORFWNLQJGZKTPI-BEFAXECRSA-N 2 0 304.453 3.524 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168404680 1039795916 /nfs/dbraw/zinc/79/59/16/1039795916.db2.gz NBNYXHNJMJAOEN-KRWDZBQOSA-N 2 0 304.453 3.663 20 0 DHADRP CSCC1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000594974222 1039949230 /nfs/dbraw/zinc/94/92/30/1039949230.db2.gz IQFDAQQFRUOWCI-UHFFFAOYSA-N 2 0 310.551 3.906 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000595098485 1040082970 /nfs/dbraw/zinc/08/29/70/1040082970.db2.gz GMQQJIUGVPBQKH-NVXWUHKLSA-N 2 0 310.551 3.905 20 0 DHADRP CSCC1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000596094289 1040305717 /nfs/dbraw/zinc/30/57/17/1040305717.db2.gz JOTTXLORRYUVKM-ADKAHSJRSA-N 2 0 310.551 3.620 20 0 DHADRP OCCCCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000173644553 1040355293 /nfs/dbraw/zinc/35/52/93/1040355293.db2.gz NLURDQXJSMTXON-LJQANCHMSA-N 2 0 310.526 3.517 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000608061495 1040358516 /nfs/dbraw/zinc/35/85/16/1040358516.db2.gz WEEBHWAIUKRIOR-VQIMIIECSA-N 2 0 324.468 3.935 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000608062222 1040361374 /nfs/dbraw/zinc/36/13/74/1040361374.db2.gz IZBWCCCBKIJABZ-PMACEKPBSA-N 2 0 316.489 3.685 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000608063441 1040361796 /nfs/dbraw/zinc/36/17/96/1040361796.db2.gz IKYMCYBDPSOPHV-GBESFXJTSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000608065785 1040363014 /nfs/dbraw/zinc/36/30/14/1040363014.db2.gz YXZYWUIQJPKCET-VQIMIIECSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C)ccc1OC ZINC000093397063 193243771 /nfs/dbraw/zinc/24/37/71/193243771.db2.gz ITEXAFWVUJTAAO-CRAIPNDOSA-N 2 0 302.462 3.529 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020128986 182190079 /nfs/dbraw/zinc/19/00/79/182190079.db2.gz REONTDXYVADSCN-ZDUSSCGKSA-N 2 0 311.267 3.586 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000272629228 130047931 /nfs/dbraw/zinc/04/79/31/130047931.db2.gz XPHCCWRUYLRXNZ-UHFFFAOYSA-N 2 0 321.515 3.693 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C ZINC000273052599 130086188 /nfs/dbraw/zinc/08/61/88/130086188.db2.gz KAUHPSNZKRTNOH-OAHLLOKOSA-N 2 0 302.462 3.671 20 0 DHADRP COCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274790419 130262518 /nfs/dbraw/zinc/26/25/18/130262518.db2.gz RLNXTWVUWUOGEJ-PKOBYXMFSA-N 2 0 318.505 3.549 20 0 DHADRP CSC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274978130 130279185 /nfs/dbraw/zinc/27/91/85/130279185.db2.gz YZDWAPHKRWPCCK-WBVHZDCISA-N 2 0 306.519 3.628 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(OC(F)F)c1 ZINC000278435032 130692189 /nfs/dbraw/zinc/69/21/89/130692189.db2.gz JVYTUVOXWVHSQK-CYBMUJFWSA-N 2 0 324.415 3.813 20 0 DHADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340185575 131019692 /nfs/dbraw/zinc/01/96/92/131019692.db2.gz SFFFDWJGJOUYAH-LJQANCHMSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000340185781 131020472 /nfs/dbraw/zinc/02/04/72/131020472.db2.gz VZEVPJXFVKTZED-APWZRJJASA-N 2 0 316.489 3.718 20 0 DHADRP C[C@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287305765 131274359 /nfs/dbraw/zinc/27/43/59/131274359.db2.gz DUDGGKMZTKLORH-BYUNMRKYSA-N 2 0 316.514 3.523 20 0 DHADRP C[C@H]([NH2+]CCCC(C)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000297472032 132016999 /nfs/dbraw/zinc/01/69/99/132016999.db2.gz YREKMXGUYIUAHY-AWEZNQCLSA-N 2 0 314.420 3.713 20 0 DHADRP c1ccc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000297481233 132018401 /nfs/dbraw/zinc/01/84/01/132018401.db2.gz SGUSPOWXLKKWEV-OAQYLSRUSA-N 2 0 321.468 3.834 20 0 DHADRP C[C@H](c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1)C(F)(F)F ZINC000297523459 132020249 /nfs/dbraw/zinc/02/02/49/132020249.db2.gz OQYCDCKCOPJNKA-HIFRSBDPSA-N 2 0 314.395 3.736 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297531978 132020910 /nfs/dbraw/zinc/02/09/10/132020910.db2.gz DPTRJEQXMQHFMJ-UMVBOHGHSA-N 2 0 307.869 3.575 20 0 DHADRP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297634778 132026013 /nfs/dbraw/zinc/02/60/13/132026013.db2.gz MFCSNJRKTKJOTG-ZWKOTPCHSA-N 2 0 319.518 3.704 20 0 DHADRP CCS[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297634769 132026529 /nfs/dbraw/zinc/02/65/29/132026529.db2.gz MFCSNJRKTKJOTG-MSOLQXFVSA-N 2 0 319.518 3.704 20 0 DHADRP c1oc2ccccc2c1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298290699 132054330 /nfs/dbraw/zinc/05/43/30/132054330.db2.gz HEIWAAGRNVITHF-UHFFFAOYSA-N 2 0 307.397 3.586 20 0 DHADRP c1ccc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000298490873 132065144 /nfs/dbraw/zinc/06/51/44/132065144.db2.gz PYBMAXABKUWSDT-FQEVSTJZSA-N 2 0 307.441 3.791 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000468549719 335071827 /nfs/dbraw/zinc/07/18/27/335071827.db2.gz WRGDBCBJAZLEFI-ZIFCJYIRSA-N 2 0 318.505 3.690 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449078497 332816821 /nfs/dbraw/zinc/81/68/21/332816821.db2.gz XYYBIZLYUYCWCO-UHFFFAOYSA-N 2 0 322.537 3.967 20 0 DHADRP COc1ccc(C2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000570843406 332827012 /nfs/dbraw/zinc/82/70/12/332827012.db2.gz MNESZQJZOTYZAY-UHFFFAOYSA-N 2 0 324.468 3.970 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000564816966 331729600 /nfs/dbraw/zinc/72/96/00/331729600.db2.gz ZXYWKRLITQCHOR-JMLCCBQJSA-N 2 0 302.462 3.535 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCCCC2 ZINC000557769502 331815278 /nfs/dbraw/zinc/81/52/78/331815278.db2.gz PWWNMLRWKTXUDF-RBUKOAKNSA-N 2 0 320.521 3.721 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000127611430 332007450 /nfs/dbraw/zinc/00/74/50/332007450.db2.gz SAGPGXUUZQOAGN-OWCLPIDISA-N 2 0 306.519 3.926 20 0 DHADRP C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000584251251 332013997 /nfs/dbraw/zinc/01/39/97/332013997.db2.gz FYNPDZIJZZQLNT-ROUUACIJSA-N 2 0 321.553 3.636 20 0 DHADRP c1ccc2cc(C[N@@H+]3CCC[C@H](N4CCOCC4)CC3)ccc2c1 ZINC000569355555 332028721 /nfs/dbraw/zinc/02/87/21/332028721.db2.gz QLOVERJXBJMLBV-NRFANRHFSA-N 2 0 324.468 3.527 20 0 DHADRP CC(C)SCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000409444790 332029080 /nfs/dbraw/zinc/02/90/80/332029080.db2.gz HFWNHWUDZUBYCW-GOSISDBHSA-N 2 0 306.519 3.582 20 0 DHADRP Cc1cccc2oc(CC[NH2+]C3CC[NH+](C(C)(C)C)CC3)nc21 ZINC000410358845 332117161 /nfs/dbraw/zinc/11/71/61/332117161.db2.gz KMPLZVXQMCPXIE-UHFFFAOYSA-N 2 0 315.461 3.531 20 0 DHADRP COc1cccc(Cl)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381002 332127747 /nfs/dbraw/zinc/12/77/47/332127747.db2.gz JZRHIAFZOIWEAV-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427109591 332168670 /nfs/dbraw/zinc/16/86/70/332168670.db2.gz HQYCHRFAOWASCC-QUCCMNQESA-N 2 0 322.452 3.546 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569605637 332198678 /nfs/dbraw/zinc/19/86/78/332198678.db2.gz QSVIIHCKBWKLDE-IBGZPJMESA-N 2 0 310.441 3.666 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(Br)c1 ZINC000569605952 332199866 /nfs/dbraw/zinc/19/98/66/332199866.db2.gz YKXCUVDMJQUQCH-GFCCVEGCSA-N 2 0 319.246 3.759 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCc3ccccc32)[C@@H](C)C1 ZINC000538195942 332207170 /nfs/dbraw/zinc/20/71/70/332207170.db2.gz YMWJYJJMKODECO-VDGAXYAQSA-N 2 0 300.490 3.601 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426048850 335095526 /nfs/dbraw/zinc/09/55/26/335095526.db2.gz JPOQIGKLUVMUPC-NVXWUHKLSA-N 2 0 318.461 3.749 20 0 DHADRP COC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000559891777 332289732 /nfs/dbraw/zinc/28/97/32/332289732.db2.gz TZGOEQREKDLHHM-GOSISDBHSA-N 2 0 324.896 3.883 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)ccc1F ZINC000559893068 332290354 /nfs/dbraw/zinc/29/03/54/332290354.db2.gz MVTSZOOZLBTXCT-OAHLLOKOSA-N 2 0 308.441 3.751 20 0 DHADRP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000559896016 332290737 /nfs/dbraw/zinc/29/07/37/332290737.db2.gz VRGQVPAMHXTRHD-FUHIMQAGSA-N 2 0 316.489 3.759 20 0 DHADRP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000449513004 332330293 /nfs/dbraw/zinc/33/02/93/332330293.db2.gz RCXAWSSUCIVBOZ-WOJBJXKFSA-N 2 0 324.553 3.662 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000583415722 332394223 /nfs/dbraw/zinc/39/42/23/332394223.db2.gz BODNOZTZDXJYAQ-ZVBHREPYSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261858171 332567299 /nfs/dbraw/zinc/56/72/99/332567299.db2.gz FMYDCXMFHWCBBX-VXGBXAGGSA-N 2 0 316.367 3.705 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C(C)C)C(C)C ZINC000562487896 332598181 /nfs/dbraw/zinc/59/81/81/332598181.db2.gz RVEWNSFXTWXQGD-UHFFFAOYSA-N 2 0 300.450 3.594 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000569660613 332655383 /nfs/dbraw/zinc/65/53/83/332655383.db2.gz BVSVFOHVUQAUOH-HXUWFJFHSA-N 2 0 302.506 3.965 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C(C)C)CCCS2 ZINC000569957134 332696705 /nfs/dbraw/zinc/69/67/05/332696705.db2.gz MHFRENWBCADJNW-INIZCTEOSA-N 2 0 308.491 3.600 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Oc2cccnc2)cc1 ZINC000570227211 332729009 /nfs/dbraw/zinc/72/90/09/332729009.db2.gz ZFZCIAYFCHGLKI-UAGQMJEPSA-N 2 0 311.429 3.794 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C(C4CC4)C4CC4)[C@@H]3C2)cc1 ZINC000180159254 333027016 /nfs/dbraw/zinc/02/70/16/333027016.db2.gz QUKNDIITXQNBDG-ZCNNSNEGSA-N 2 0 310.485 3.675 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000181133283 333029006 /nfs/dbraw/zinc/02/90/06/333029006.db2.gz CJZZCIOPVLPDQJ-SWLSCSKDSA-N 2 0 311.267 3.584 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000378870585 333058651 /nfs/dbraw/zinc/05/86/51/333058651.db2.gz MPZWQPWRBGOBCV-FXAWDEMLSA-N 2 0 324.468 3.577 20 0 DHADRP COc1ccccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976616 335119897 /nfs/dbraw/zinc/11/98/97/335119897.db2.gz ASKIGMCBKPNJGQ-UHFFFAOYSA-N 2 0 312.457 3.825 20 0 DHADRP Cc1cnccc1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000563884476 335123746 /nfs/dbraw/zinc/12/37/46/335123746.db2.gz DRXQMQVSVOFGSX-HXUWFJFHSA-N 2 0 324.468 3.816 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000190835356 335124014 /nfs/dbraw/zinc/12/40/14/335124014.db2.gz FVCHMQBXWDKGPJ-ZDUSSCGKSA-N 2 0 312.379 3.588 20 0 DHADRP CSC1(C[NH2+]C[C@@H](C)CCc2ccccc2)CC[NH+](C)CC1 ZINC000582091724 333210363 /nfs/dbraw/zinc/21/03/63/333210363.db2.gz HRWQNZJZYBTPBU-KRWDZBQOSA-N 2 0 320.546 3.672 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000310005330 333215568 /nfs/dbraw/zinc/21/55/68/333215568.db2.gz HIUHXFJHHHZPOB-KRWDZBQOSA-N 2 0 312.457 3.873 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCc2ccc(O)cc21 ZINC000319142777 333264382 /nfs/dbraw/zinc/26/43/82/333264382.db2.gz FQOUTCKJKVWVSL-HNAYVOBHSA-N 2 0 302.462 3.624 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCOC)[NH+]1CCCC1 ZINC000502686641 333304526 /nfs/dbraw/zinc/30/45/26/333304526.db2.gz KOWKUZFIGQLCMT-QRVBRYPASA-N 2 0 310.526 3.682 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCOCc2ccccc2)c2ccccc21 ZINC000390598211 333304649 /nfs/dbraw/zinc/30/46/49/333304649.db2.gz UYVOHSHXCQGMGG-VQTJNVASSA-N 2 0 310.441 3.718 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000390680913 333314692 /nfs/dbraw/zinc/31/46/92/333314692.db2.gz VUANSVAQLQWXDL-FXUDXRNXSA-N 2 0 300.437 3.712 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnc(C3CCCCC3)s2)C1 ZINC000521406079 333370794 /nfs/dbraw/zinc/37/07/94/333370794.db2.gz FSPIZUVETMUTMA-UKRRQHHQSA-N 2 0 307.507 3.798 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CS1 ZINC000488459289 333379962 /nfs/dbraw/zinc/37/99/62/333379962.db2.gz IXADFGPFJJQPJL-RDJZCZTQSA-N 2 0 310.482 3.507 20 0 DHADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000188672815 333384975 /nfs/dbraw/zinc/38/49/75/333384975.db2.gz OEBAWTVVXWWQAE-HXUWFJFHSA-N 2 0 322.537 3.704 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]CC2(OC)CCCC2)cc1 ZINC000319901175 333416980 /nfs/dbraw/zinc/41/69/80/333416980.db2.gz QCVAKUDBEQMAJQ-UHFFFAOYSA-N 2 0 304.478 3.577 20 0 DHADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000571037905 333484472 /nfs/dbraw/zinc/48/44/72/333484472.db2.gz PVSILOYFCVPOTB-UWWQBHOKSA-N 2 0 306.469 3.933 20 0 DHADRP COCC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411267754 333647348 /nfs/dbraw/zinc/64/73/48/333647348.db2.gz SBTBJBFCFKMZIL-UHFFFAOYSA-N 2 0 316.489 3.531 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCCO2 ZINC000414162411 333915450 /nfs/dbraw/zinc/91/54/50/333915450.db2.gz DIQSPSZYIQDUDW-SFHVURJKSA-N 2 0 307.397 3.646 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000271377173 334022198 /nfs/dbraw/zinc/02/21/98/334022198.db2.gz HULFSRYWDAOHJE-SFHVURJKSA-N 2 0 323.484 3.953 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000414653932 334055111 /nfs/dbraw/zinc/05/51/11/334055111.db2.gz FLSZUADUJPXCEK-DNVCBOLYSA-N 2 0 310.441 3.531 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cc2)cc1 ZINC000414658362 334058600 /nfs/dbraw/zinc/05/86/00/334058600.db2.gz JHLSHOGOAPRHJM-FXAWDEMLSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000572864738 334060554 /nfs/dbraw/zinc/06/05/54/334060554.db2.gz CHNJUTDTAPZKPW-OTWHNJEPSA-N 2 0 300.490 3.735 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc2)cc1 ZINC000414662808 334060937 /nfs/dbraw/zinc/06/09/37/334060937.db2.gz QNFWGHMAZZVLAG-XLIONFOSSA-N 2 0 324.468 3.743 20 0 DHADRP COc1ccc2cc(C[N@H+](C)C[C@@H]3CC[NH2+][C@@H](C)C3)ccc2c1 ZINC000414674691 334065423 /nfs/dbraw/zinc/06/54/23/334065423.db2.gz FANMXKPYHNHCBF-DOTOQJQBSA-N 2 0 312.457 3.668 20 0 DHADRP CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414720239 334073954 /nfs/dbraw/zinc/07/39/54/334073954.db2.gz XVOSVHAXOKPREJ-HNNXBMFYSA-N 2 0 318.358 3.809 20 0 DHADRP C[C@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414731108 334075274 /nfs/dbraw/zinc/07/52/74/334075274.db2.gz FDXUGRVMASILEK-CZUORRHYSA-N 2 0 314.395 3.883 20 0 DHADRP CC(C)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCc2cccnc21 ZINC000414740008 334079431 /nfs/dbraw/zinc/07/94/31/334079431.db2.gz CVVODVLIKNAMDA-SCTDSRPQSA-N 2 0 315.505 3.805 20 0 DHADRP C[N@H+](Cc1cccc(OC2CCCC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414746980 334082779 /nfs/dbraw/zinc/08/27/79/334082779.db2.gz GKKOULFYUMXDJW-QGZVFWFLSA-N 2 0 302.462 3.582 20 0 DHADRP [NH3+]C1CCC([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000414751387 334085033 /nfs/dbraw/zinc/08/50/33/334085033.db2.gz NFDNGPNJYAZQDS-UHFFFAOYSA-N 2 0 322.496 3.948 20 0 DHADRP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773072 334090477 /nfs/dbraw/zinc/09/04/77/334090477.db2.gz CTDWBVHLHLZEEN-ZIAGYGMSSA-N 2 0 312.379 3.527 20 0 DHADRP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781491 334093595 /nfs/dbraw/zinc/09/35/95/334093595.db2.gz MZZGQXMCMVRMHE-HUUCEWRRSA-N 2 0 322.880 3.560 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783785 334094365 /nfs/dbraw/zinc/09/43/65/334094365.db2.gz REPJLCKRFJAEJB-CVEARBPZSA-N 2 0 312.379 3.683 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414800603 334101521 /nfs/dbraw/zinc/10/15/21/334101521.db2.gz SFSIRAOGUZEPNR-IUODEOHRSA-N 2 0 302.384 3.599 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414804265 334103869 /nfs/dbraw/zinc/10/38/69/334103869.db2.gz XCRILPLAUAZQOP-GBESFXJTSA-N 2 0 304.478 3.683 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000414813206 334106308 /nfs/dbraw/zinc/10/63/08/334106308.db2.gz SNLYSBIIRWUDIE-LBPRGKRZSA-N 2 0 303.475 3.750 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000414816801 334107212 /nfs/dbraw/zinc/10/72/12/334107212.db2.gz QTYMWYUVIGJVTD-VCANKDNSSA-N 2 0 300.368 3.917 20 0 DHADRP C[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414820917 334108500 /nfs/dbraw/zinc/10/85/00/334108500.db2.gz KMCUDQQDXYZIRF-QWHCGFSZSA-N 2 0 315.288 3.904 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821085 334108545 /nfs/dbraw/zinc/10/85/45/334108545.db2.gz KPPRCDYTJVEHSE-CQDKDKBSSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](C[NH3+])C3CCCCC3)CC2)C1 ZINC000414835772 334111398 /nfs/dbraw/zinc/11/13/98/334111398.db2.gz HTSBOWGGSKOVEK-LSTHTHJFSA-N 2 0 321.553 3.527 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414838283 334111849 /nfs/dbraw/zinc/11/18/49/334111849.db2.gz VHPFNEGTPMUCJW-QGZVFWFLSA-N 2 0 324.468 3.760 20 0 DHADRP c1ccc(COc2ccccc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414845775 334116155 /nfs/dbraw/zinc/11/61/55/334116155.db2.gz GCGARJSQWKTBSL-SFHVURJKSA-N 2 0 324.468 3.745 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000280346865 334116647 /nfs/dbraw/zinc/11/66/47/334116647.db2.gz SNBXHDDYFSSSOM-APWZRJJASA-N 2 0 304.453 3.924 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414852656 334127124 /nfs/dbraw/zinc/12/71/24/334127124.db2.gz KFERXEZAGOBOIG-VXGBXAGGSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414853571 334127162 /nfs/dbraw/zinc/12/71/62/334127162.db2.gz LBTWPHBOECPVPM-MSJBJCGKSA-N 2 0 300.490 3.937 20 0 DHADRP CC1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414900769 334164421 /nfs/dbraw/zinc/16/44/21/334164421.db2.gz IXYHPKXYAWHVMZ-UHFFFAOYSA-N 2 0 320.786 3.838 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414920788 334181151 /nfs/dbraw/zinc/18/11/51/334181151.db2.gz ZGIGERYPAKOUTQ-DFBGVHRSSA-N 2 0 300.368 3.668 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000414932184 334195296 /nfs/dbraw/zinc/19/52/96/334195296.db2.gz VMQUTVQFHLJLDD-RYUDHWBXSA-N 2 0 301.261 3.786 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414933315 334196374 /nfs/dbraw/zinc/19/63/74/334196374.db2.gz DPOYVTBEVXPOSA-QLIIJSOBSA-N 2 0 316.489 3.698 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC[NH2+]1 ZINC000414943976 334203448 /nfs/dbraw/zinc/20/34/48/334203448.db2.gz FZYMWDOHUKMWKC-WFASDCNBSA-N 2 0 304.434 3.784 20 0 DHADRP CC1([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC[NH2+]CC1 ZINC000414944878 334204468 /nfs/dbraw/zinc/20/44/68/334204468.db2.gz QPRDHEFCLOBTEG-UHFFFAOYSA-N 2 0 314.404 3.850 20 0 DHADRP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1c(Cl)cccc1Cl ZINC000415083632 334272389 /nfs/dbraw/zinc/27/23/89/334272389.db2.gz NYOLBTKRISHZTD-UNXYVOJBSA-N 2 0 301.261 3.956 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414949453 334206381 /nfs/dbraw/zinc/20/63/81/334206381.db2.gz NLEHGEQNKNNAQI-WSTLGDPDSA-N 2 0 316.489 3.840 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952164 334207075 /nfs/dbraw/zinc/20/70/75/334207075.db2.gz QPCTVYJUJKLSDS-JMSVASOKSA-N 2 0 300.368 3.539 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414951327 334207454 /nfs/dbraw/zinc/20/74/54/334207454.db2.gz PSEVIKLEKHMVCM-RYUDHWBXSA-N 2 0 301.261 3.656 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC[NH2+]1 ZINC000414955762 334208240 /nfs/dbraw/zinc/20/82/40/334208240.db2.gz UOGRZDLIKDXPKY-DOMZBBRYSA-N 2 0 304.434 3.784 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000415084564 334272927 /nfs/dbraw/zinc/27/29/27/334272927.db2.gz OUQNZFKXEDSHDH-BQFCYCMXSA-N 2 0 304.478 3.760 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414968218 334215255 /nfs/dbraw/zinc/21/52/55/334215255.db2.gz YEZHMGHEMIZFSS-LRDDRELGSA-N 2 0 304.434 3.642 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967835 334215297 /nfs/dbraw/zinc/21/52/97/334215297.db2.gz HSQGXMOMQCSZMJ-IUODEOHRSA-N 2 0 314.395 3.787 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414996961 334235323 /nfs/dbraw/zinc/23/53/23/334235323.db2.gz PAXDAQVGSJGHLO-MFKMUULPSA-N 2 0 317.260 3.609 20 0 DHADRP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414997095 334235436 /nfs/dbraw/zinc/23/54/36/334235436.db2.gz HBTFRJDFCQMWPS-JQHSSLGASA-N 2 0 304.453 3.687 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414998596 334236780 /nfs/dbraw/zinc/23/67/80/334236780.db2.gz IHWRFUSZYNCPSH-INWMFGNUSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H]1C[C@@H](C[NH2+]CCOc2ccccc2-c2ccccc2)CC[NH2+]1 ZINC000415086540 334274980 /nfs/dbraw/zinc/27/49/80/334274980.db2.gz RULAZTPZOOJUET-ROUUACIJSA-N 2 0 324.468 3.710 20 0 DHADRP CC(C)C[C@H]([NH3+])CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415086860 334275342 /nfs/dbraw/zinc/27/53/42/334275342.db2.gz SAUAXCKWEBLBSD-KBPBESRZSA-N 2 0 306.347 3.782 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000415007253 334249531 /nfs/dbraw/zinc/24/95/31/334249531.db2.gz BCNVBPZKJUZWKT-MRXNPFEDSA-N 2 0 322.456 3.633 20 0 DHADRP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415012819 334258263 /nfs/dbraw/zinc/25/82/63/334258263.db2.gz XORKZSAXKOSCMU-DKSSEZFCSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011999 334258287 /nfs/dbraw/zinc/25/82/87/334258287.db2.gz RSUODJJCVBLNJH-TUKIKUTGSA-N 2 0 312.910 3.700 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415013083 334258469 /nfs/dbraw/zinc/25/84/69/334258469.db2.gz URFKCRFEJNDOGB-CADBVGFASA-N 2 0 318.892 3.954 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415014573 334258744 /nfs/dbraw/zinc/25/87/44/334258744.db2.gz MTCMYRRMWROVFB-STQMWFEESA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000415018248 334258998 /nfs/dbraw/zinc/25/89/98/334258998.db2.gz UESNEGJJKPVRBX-GOSISDBHSA-N 2 0 310.485 3.948 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415027269 334259740 /nfs/dbraw/zinc/25/97/40/334259740.db2.gz ATQAKROMNIHJRF-JMSVASOKSA-N 2 0 300.368 3.526 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415026998 334259881 /nfs/dbraw/zinc/25/98/81/334259881.db2.gz ANKFHERTBVWXMS-DNVCBOLYSA-N 2 0 310.441 3.579 20 0 DHADRP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415028616 334260116 /nfs/dbraw/zinc/26/01/16/334260116.db2.gz ZEAMNOHODPOARW-CABCVRRESA-N 2 0 309.473 3.525 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000415039371 334260642 /nfs/dbraw/zinc/26/06/42/334260642.db2.gz NYTNQGBKWUDCEI-CHWSQXEVSA-N 2 0 304.434 3.771 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC000415040710 334260822 /nfs/dbraw/zinc/26/08/22/334260822.db2.gz PEPBDYRPTLRFRA-VQTJNVASSA-N 2 0 324.468 3.791 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415046880 334261402 /nfs/dbraw/zinc/26/14/02/334261402.db2.gz VMFJKNPVJLNHLD-VQTJNVASSA-N 2 0 308.469 3.557 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000415071288 334264204 /nfs/dbraw/zinc/26/42/04/334264204.db2.gz ZCPSAUXDTUURGF-LBPRGKRZSA-N 2 0 307.438 3.556 20 0 DHADRP COc1cc(CC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)ccc1C ZINC000415077810 334270239 /nfs/dbraw/zinc/27/02/39/334270239.db2.gz FMTGTBBOGDKESD-WOJBJXKFSA-N 2 0 324.468 3.629 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079460 334270796 /nfs/dbraw/zinc/27/07/96/334270796.db2.gz HYJFWPZRXKLHGN-RYUDHWBXSA-N 2 0 301.261 3.686 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000415090005 334279930 /nfs/dbraw/zinc/27/99/30/334279930.db2.gz ZNZJDFXPUNZUBO-CYBMUJFWSA-N 2 0 315.486 3.830 20 0 DHADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415091773 334280343 /nfs/dbraw/zinc/28/03/43/334280343.db2.gz ZZZPBNVSFXFSPS-PKOBYXMFSA-N 2 0 324.468 3.853 20 0 DHADRP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415094149 334280649 /nfs/dbraw/zinc/28/06/49/334280649.db2.gz WWFUYSIXTFPDLP-PSPNYPNSSA-N 2 0 310.869 3.523 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000415094755 334280696 /nfs/dbraw/zinc/28/06/96/334280696.db2.gz YEQUTIYQINNEDV-FXAWDEMLSA-N 2 0 308.469 3.939 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415095284 334280903 /nfs/dbraw/zinc/28/09/03/334280903.db2.gz ZISCGSGJUZEBGR-NZSAHSFTSA-N 2 0 300.490 3.783 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415110278 334281985 /nfs/dbraw/zinc/28/19/85/334281985.db2.gz MXSFAXOCGGLEFP-ZHALLVOQSA-N 2 0 303.494 3.693 20 0 DHADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415101836 334282597 /nfs/dbraw/zinc/28/25/97/334282597.db2.gz IIUYEFSDERAHFA-ZENOOKHLSA-N 2 0 314.395 3.929 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000415121725 334284587 /nfs/dbraw/zinc/28/45/87/334284587.db2.gz ZJLVZPIJCHMYQZ-LSDHHAIUSA-N 2 0 309.523 3.709 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415128855 334285290 /nfs/dbraw/zinc/28/52/90/334285290.db2.gz OJUUVVBLCXRVEH-APWZRJJASA-N 2 0 324.468 3.779 20 0 DHADRP CC(C)c1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415129943 334285332 /nfs/dbraw/zinc/28/53/32/334285332.db2.gz VSBPGBRSJBSWSN-VQTJNVASSA-N 2 0 316.489 3.528 20 0 DHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000415133638 334285778 /nfs/dbraw/zinc/28/57/78/334285778.db2.gz VHYODPLHPJIOCT-RTWAWAEBSA-N 2 0 324.468 3.558 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000531945806 334300919 /nfs/dbraw/zinc/30/09/19/334300919.db2.gz BEBWZKMTBTVVKA-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)C1CCOCC1 ZINC000531955053 334306359 /nfs/dbraw/zinc/30/63/59/334306359.db2.gz YHMIEJBOXDMBQB-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000049554458 334350048 /nfs/dbraw/zinc/35/00/48/334350048.db2.gz HBYJDBVMEPAEFY-ZDUSSCGKSA-N 2 0 306.450 3.984 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000563681029 334377269 /nfs/dbraw/zinc/37/72/69/334377269.db2.gz AVOROOXUZZYOHN-MOPGFXCFSA-N 2 0 316.489 3.695 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425955489 334820545 /nfs/dbraw/zinc/82/05/45/334820545.db2.gz RWSFZPGKJRFOOP-BBRMVZONSA-N 2 0 300.437 3.664 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000053659050 334861333 /nfs/dbraw/zinc/86/13/33/334861333.db2.gz LDCWGPBPYZPNHB-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1(C)C ZINC000344087995 335216793 /nfs/dbraw/zinc/21/67/93/335216793.db2.gz MULOYEOTEPRANX-OALUTQOASA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C12CCCC2 ZINC000344106425 335223655 /nfs/dbraw/zinc/22/36/55/335223655.db2.gz JXNLZZHWZDDNRZ-MOPGFXCFSA-N 2 0 316.489 3.576 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000344843703 335279550 /nfs/dbraw/zinc/27/95/50/335279550.db2.gz XKQMDNDKWGBMLF-IBGZPJMESA-N 2 0 310.441 3.534 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1sc(C)nc1C ZINC000344856332 335280233 /nfs/dbraw/zinc/28/02/33/335280233.db2.gz ZHOOFUWEDJKYER-HZPDHXFCSA-N 2 0 309.523 3.750 20 0 DHADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000344905852 335284727 /nfs/dbraw/zinc/28/47/27/335284727.db2.gz XCAJKQQHMVGTME-KRWDZBQOSA-N 2 0 312.457 3.986 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000165966461 335294865 /nfs/dbraw/zinc/29/48/65/335294865.db2.gz QBVLGRNOYBATBJ-HZPDHXFCSA-N 2 0 318.461 3.749 20 0 DHADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1Oc1cccnc1 ZINC000345139968 335300957 /nfs/dbraw/zinc/30/09/57/335300957.db2.gz LNYBSBGATVVRES-UHFFFAOYSA-N 2 0 323.440 3.534 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000346171720 335377596 /nfs/dbraw/zinc/37/75/96/335377596.db2.gz ATLHRWVLTMFIEN-GOSISDBHSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000346131377 335379450 /nfs/dbraw/zinc/37/94/50/335379450.db2.gz AZBPFCIWBRPYON-SFHVURJKSA-N 2 0 318.424 3.565 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC(C)C)C1CCCC1 ZINC000346140790 335380584 /nfs/dbraw/zinc/38/05/84/335380584.db2.gz MYSCIKBUYAXLES-UHFFFAOYSA-N 2 0 312.461 3.976 20 0 DHADRP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346158439 335383257 /nfs/dbraw/zinc/38/32/57/335383257.db2.gz BTLQGYOIQAAKLH-BEFAXECRSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000346215636 335384866 /nfs/dbraw/zinc/38/48/66/335384866.db2.gz QJMGJXSOMHVTKE-LJQANCHMSA-N 2 0 304.397 3.523 20 0 DHADRP CCc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000346224828 335385967 /nfs/dbraw/zinc/38/59/67/335385967.db2.gz RKGPOYXHYXCBQY-UHFFFAOYSA-N 2 0 321.534 3.794 20 0 DHADRP CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346212395 335390620 /nfs/dbraw/zinc/39/06/20/335390620.db2.gz XCAKFKBGPDWYGL-DNVCBOLYSA-N 2 0 312.461 3.976 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000346673550 335428526 /nfs/dbraw/zinc/42/85/26/335428526.db2.gz WWEATBBFGWSIPH-UHFFFAOYSA-N 2 0 321.877 3.634 20 0 DHADRP C(CC1CC[NH+](CC[C@H]2CCCCO2)CC1)C[NH+]1CCCC1 ZINC000347481661 335503504 /nfs/dbraw/zinc/50/35/04/335503504.db2.gz JOYLVCPJKBSAKT-LJQANCHMSA-N 2 0 308.510 3.534 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C1CCC(F)(F)CC1 ZINC000353245297 335758413 /nfs/dbraw/zinc/75/84/13/335758413.db2.gz TUGHJSCBUBUITD-CYBMUJFWSA-N 2 0 300.437 3.807 20 0 DHADRP CCC1([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000520269971 335952431 /nfs/dbraw/zinc/95/24/31/335952431.db2.gz HYXOEACQFFBVSW-SJLPKXTDSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)CC1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCC1 ZINC000520658918 335999948 /nfs/dbraw/zinc/99/99/48/335999948.db2.gz KEQASYSNOSYGSL-UHFFFAOYSA-N 2 0 322.443 3.922 20 0 DHADRP CCSc1cccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000351996593 336187263 /nfs/dbraw/zinc/18/72/63/336187263.db2.gz PRIUXSINJSUPFV-UHFFFAOYSA-N 2 0 301.459 3.901 20 0 DHADRP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)cs1 ZINC000532471913 336249732 /nfs/dbraw/zinc/24/97/32/336249732.db2.gz OACNFUKNMPYWJN-DYVFJYSZSA-N 2 0 315.486 3.691 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000532450889 336249913 /nfs/dbraw/zinc/24/99/13/336249913.db2.gz JNMFITAGHMOPRQ-OXQOHEQNSA-N 2 0 312.457 3.631 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000532503830 336252471 /nfs/dbraw/zinc/25/24/71/336252471.db2.gz PBPPRNNXMKMUIL-BPQIPLTHSA-N 2 0 314.498 3.880 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352854083 336280408 /nfs/dbraw/zinc/28/04/08/336280408.db2.gz PQXPCPLLLHNADH-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192921333 336284436 /nfs/dbraw/zinc/28/44/36/336284436.db2.gz QKZMUEKPUMEHSO-PKOBYXMFSA-N 2 0 312.457 3.712 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(OC(F)F)c1 ZINC000192925199 336284511 /nfs/dbraw/zinc/28/45/11/336284511.db2.gz PXOLCFBLIARNLJ-AWEZNQCLSA-N 2 0 312.404 3.815 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000192950478 336285790 /nfs/dbraw/zinc/28/57/90/336285790.db2.gz RQVCBCRRHGPHDQ-INIZCTEOSA-N 2 0 304.478 3.999 20 0 DHADRP CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C1 ZINC000301688198 336323479 /nfs/dbraw/zinc/32/34/79/336323479.db2.gz VLJLGUMIBKGWSB-HNNXBMFYSA-N 2 0 301.409 3.603 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000514104392 336352147 /nfs/dbraw/zinc/35/21/47/336352147.db2.gz JMBSRBWXFOURKY-GUDVDZBRSA-N 2 0 318.530 3.691 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000302178959 336352590 /nfs/dbraw/zinc/35/25/90/336352590.db2.gz YLBHUBWQXFNZJG-KRWDZBQOSA-N 2 0 309.457 3.998 20 0 DHADRP Cc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)cc[nH+]1 ZINC000302574839 336361984 /nfs/dbraw/zinc/36/19/84/336361984.db2.gz QPLWDCSJUFXAIS-UHFFFAOYSA-N 2 0 309.457 3.535 20 0 DHADRP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000302825636 336370929 /nfs/dbraw/zinc/37/09/29/336370929.db2.gz MMIBGMHKUAPLIN-DLBZAZTESA-N 2 0 303.356 3.526 20 0 DHADRP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000302825637 336370963 /nfs/dbraw/zinc/37/09/63/336370963.db2.gz MMIBGMHKUAPLIN-IAGOWNOFSA-N 2 0 303.356 3.526 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000563947631 336387874 /nfs/dbraw/zinc/38/78/74/336387874.db2.gz IDNWOLRPXIRPCM-IQNGYNMSSA-N 2 0 300.490 3.860 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356770291 336560415 /nfs/dbraw/zinc/56/04/15/336560415.db2.gz IUPKGLQBCVHWEU-KRWDZBQOSA-N 2 0 302.462 3.530 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000356852894 336563134 /nfs/dbraw/zinc/56/31/34/336563134.db2.gz RQXXYSWBYZQCPQ-INIZCTEOSA-N 2 0 322.880 3.875 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000361100183 336738390 /nfs/dbraw/zinc/73/83/90/336738390.db2.gz XVHXTQLQJPYXPR-KKUMJFAQSA-N 2 0 309.523 3.860 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000361763732 336771983 /nfs/dbraw/zinc/77/19/83/336771983.db2.gz FRKBDRYVZRICNH-LJQANCHMSA-N 2 0 316.489 3.920 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000368386669 336843632 /nfs/dbraw/zinc/84/36/32/336843632.db2.gz ZCMBNDXUYNAZFQ-ODIFPOPNSA-N 2 0 322.497 3.504 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC000369186383 336860088 /nfs/dbraw/zinc/86/00/88/336860088.db2.gz CMSYDEUYWKQJJK-RBUKOAKNSA-N 2 0 315.505 3.882 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000389655605 336880818 /nfs/dbraw/zinc/88/08/18/336880818.db2.gz AFCOMVWOHQWBRL-DBVUQKKJSA-N 2 0 300.490 3.890 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000122755857 337023331 /nfs/dbraw/zinc/02/33/31/337023331.db2.gz AXGFCPGNFQCLHB-SFHVURJKSA-N 2 0 302.462 3.612 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000376674457 337039582 /nfs/dbraw/zinc/03/95/82/337039582.db2.gz UZPCXCRAQZTPJX-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCSC1 ZINC000376824962 337042160 /nfs/dbraw/zinc/04/21/60/337042160.db2.gz ZDRBPGASAHYFCV-QGZVFWFLSA-N 2 0 310.551 3.764 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000377121615 337047121 /nfs/dbraw/zinc/04/71/21/337047121.db2.gz WJNLARLHTSEXDC-PZJWPPBQSA-N 2 0 323.484 3.959 20 0 DHADRP C[C@H]1C[C@H](N(C)Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000123488504 337048739 /nfs/dbraw/zinc/04/87/39/337048739.db2.gz CDPMHZKYZYRWDH-DZGCQCFKSA-N 2 0 317.864 3.803 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3csc(C(C)(C)C)n3)C2)CC1 ZINC000377887594 337063350 /nfs/dbraw/zinc/06/33/50/337063350.db2.gz FYPFZFXLGWANSD-OAHLLOKOSA-N 2 0 321.534 3.604 20 0 DHADRP COc1cc([C@@H](C)[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000377893509 337063537 /nfs/dbraw/zinc/06/35/37/337063537.db2.gz JYJMIQWGPYHWGN-RHSMWYFYSA-N 2 0 320.452 3.559 20 0 DHADRP Oc1ccc(CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000378160302 337067406 /nfs/dbraw/zinc/06/74/06/337067406.db2.gz IVPGTEVTGNPNBN-UHFFFAOYSA-N 2 0 316.489 3.569 20 0 DHADRP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000378473148 337073818 /nfs/dbraw/zinc/07/38/18/337073818.db2.gz HWEKCXOFCWSGLS-IEBWSBKVSA-N 2 0 308.510 3.577 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000193811785 337080227 /nfs/dbraw/zinc/08/02/27/337080227.db2.gz SRJZHZAFPPVCTM-HNNXBMFYSA-N 2 0 322.518 3.563 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000469047555 337080341 /nfs/dbraw/zinc/08/03/41/337080341.db2.gz ONZCVBIFHVLZTF-CZUORRHYSA-N 2 0 314.395 3.568 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193914326 337080514 /nfs/dbraw/zinc/08/05/14/337080514.db2.gz PKOJUSUVSXRGKF-UHFFFAOYSA-N 2 0 306.519 3.630 20 0 DHADRP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)ccc1C ZINC000194011287 337081169 /nfs/dbraw/zinc/08/11/69/337081169.db2.gz WYWNEHAPNFJSPO-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000360063274 337084854 /nfs/dbraw/zinc/08/48/54/337084854.db2.gz YJRBKEAVPZFXCI-MIJRVZTASA-N 2 0 306.881 3.904 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1Cl ZINC000582482223 337096781 /nfs/dbraw/zinc/09/67/81/337096781.db2.gz HOXGBEAITPPBIE-GRTSSRMGSA-N 2 0 310.869 3.872 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1sccc1Br ZINC000514667428 337147646 /nfs/dbraw/zinc/14/76/46/337147646.db2.gz KJTLRYMOMHWXQQ-HBNTYKKESA-N 2 0 317.296 3.679 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000178035916 337159941 /nfs/dbraw/zinc/15/99/41/337159941.db2.gz GVUSRSMTWLKCGU-MSOLQXFVSA-N 2 0 318.505 3.823 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000178034401 337160026 /nfs/dbraw/zinc/16/00/26/337160026.db2.gz PXHBJUBTPCZTIH-LZWOXQAQSA-N 2 0 324.534 3.905 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000178081832 337160363 /nfs/dbraw/zinc/16/03/63/337160363.db2.gz DAZREYZZOSNVOI-GOSISDBHSA-N 2 0 318.505 3.823 20 0 DHADRP COCCC[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000178794609 337165062 /nfs/dbraw/zinc/16/50/62/337165062.db2.gz UYXOOPDOSLYBSP-UXLLHSPISA-N 2 0 310.507 3.536 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCCn1ccnc1 ZINC000179963676 337172827 /nfs/dbraw/zinc/17/28/27/337172827.db2.gz QFIPMUBKRPKMBB-KRWDZBQOSA-N 2 0 303.475 3.680 20 0 DHADRP CC(C)c1cnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000183128373 337189990 /nfs/dbraw/zinc/18/99/90/337189990.db2.gz OVKKISAICFIFEH-GDBMZVCRSA-N 2 0 319.518 3.715 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000582899007 337212627 /nfs/dbraw/zinc/21/26/27/337212627.db2.gz LMQSHNNHRGSWTP-BXUZGUMPSA-N 2 0 311.267 3.587 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2[C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000582932605 337215944 /nfs/dbraw/zinc/21/59/44/337215944.db2.gz KODCJMLLUGYMEY-WLRLJWMZSA-N 2 0 312.501 3.913 20 0 DHADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000186949260 337260645 /nfs/dbraw/zinc/26/06/45/337260645.db2.gz HWGKLTRWONVFPF-INIZCTEOSA-N 2 0 306.519 3.630 20 0 DHADRP CC(C)(C)[NH+]1CCC(N[C@H]2CCOc3c(F)cccc32)CC1 ZINC000188050328 337270280 /nfs/dbraw/zinc/27/02/80/337270280.db2.gz YAAIQWJKNXUIJP-INIZCTEOSA-N 2 0 306.425 3.502 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583208731 337272284 /nfs/dbraw/zinc/27/22/84/337272284.db2.gz NSVCIPWDABNQBC-CYBMUJFWSA-N 2 0 316.395 3.804 20 0 DHADRP CC[C@H](NCCC[NH+](CC)CC)c1nc(C(F)(F)F)cs1 ZINC000189932740 337283891 /nfs/dbraw/zinc/28/38/91/337283891.db2.gz OYOODNGVOPRLCB-NSHDSACASA-N 2 0 323.428 3.935 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192630214 337305893 /nfs/dbraw/zinc/30/58/93/337305893.db2.gz NPAUIZKIQFWVKN-RTBURBONSA-N 2 0 322.537 3.850 20 0 DHADRP Cc1c[nH+]ccc1N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000192738574 337307335 /nfs/dbraw/zinc/30/73/35/337307335.db2.gz JPUSLYNYTIMIGX-UHFFFAOYSA-N 2 0 310.445 3.528 20 0 DHADRP CN1CC[C@H]2CC[N@H+](CCc3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC000583784829 337332776 /nfs/dbraw/zinc/33/27/76/337332776.db2.gz WTPBZLVEPMZEIK-PKOBYXMFSA-N 2 0 300.490 3.553 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000583862526 337354136 /nfs/dbraw/zinc/35/41/36/337354136.db2.gz LKCZZZJAMFFOPT-IEBWSBKVSA-N 2 0 312.542 3.641 20 0 DHADRP C1CCC2(C1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCO2 ZINC000127053140 337419017 /nfs/dbraw/zinc/41/90/17/337419017.db2.gz GYUZMGPOGRDFCK-SFHVURJKSA-N 2 0 320.521 3.865 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332220 337499399 /nfs/dbraw/zinc/49/93/99/337499399.db2.gz GJAGBVGVDXGETF-MSOLQXFVSA-N 2 0 304.865 3.791 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420391936 337500512 /nfs/dbraw/zinc/50/05/12/337500512.db2.gz OVPHRJDPYCVOKQ-JEBQAFNWSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C3CCC([NH+](C)C)CC3)s2)o1 ZINC000421372889 337528278 /nfs/dbraw/zinc/52/82/78/337528278.db2.gz NBLBEPWVMTVXBM-UHFFFAOYSA-N 2 0 319.474 3.674 20 0 DHADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000580475392 337680834 /nfs/dbraw/zinc/68/08/34/337680834.db2.gz SXHUYWZMDCOONU-MOPGFXCFSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704912 337683592 /nfs/dbraw/zinc/68/35/92/337683592.db2.gz QNTWRFKYHIKALA-CIWUYKSXSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737474 337684590 /nfs/dbraw/zinc/68/45/90/337684590.db2.gz ZMYNEVPDDSROGO-UWJYYQICSA-N 2 0 324.468 3.743 20 0 DHADRP Fc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCCC2)cc1 ZINC000422753498 337684998 /nfs/dbraw/zinc/68/49/98/337684998.db2.gz DVWXPUBAUHXGCM-DFNIBXOVSA-N 2 0 316.464 3.900 20 0 DHADRP CCC(CC)(CN[C@H](C)C[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422756770 337685345 /nfs/dbraw/zinc/68/53/45/337685345.db2.gz HJGINWCHLKZLJO-BRWVUGGUSA-N 2 0 305.510 3.611 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000422782999 337686412 /nfs/dbraw/zinc/68/64/12/337686412.db2.gz MLPPPJMNNYEQPM-YZVOILCLSA-N 2 0 300.421 3.825 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000422787550 337686614 /nfs/dbraw/zinc/68/66/14/337686614.db2.gz RNYDKMOPANCOOB-DNVCBOLYSA-N 2 0 300.421 3.827 20 0 DHADRP CC1(C)CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422785191 337686635 /nfs/dbraw/zinc/68/66/35/337686635.db2.gz PERMYLIZVRKUSC-FXAWDEMLSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422803276 337687336 /nfs/dbraw/zinc/68/73/36/337687336.db2.gz IWJOBVQYANCVKW-LDQXTDLNSA-N 2 0 308.469 3.655 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422807028 337687503 /nfs/dbraw/zinc/68/75/03/337687503.db2.gz LPIVXPUHOIPZMY-RYUDHWBXSA-N 2 0 304.356 3.753 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422812937 337687887 /nfs/dbraw/zinc/68/78/87/337687887.db2.gz YMSOUZCJFXAMPC-HUUCEWRRSA-N 2 0 316.420 3.620 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])ccc1OC(C)C ZINC000422814485 337687929 /nfs/dbraw/zinc/68/79/29/337687929.db2.gz VCSRHRJBWHYTFH-GJZGRUSLSA-N 2 0 308.466 3.651 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000422829863 337688218 /nfs/dbraw/zinc/68/82/18/337688218.db2.gz VBXOKOQEALZMKU-RHSMWYFYSA-N 2 0 316.470 3.641 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422827599 337688302 /nfs/dbraw/zinc/68/83/02/337688302.db2.gz SJJUAXMRJUQOSN-HKUYNNGSSA-N 2 0 321.553 3.684 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)c[nH]c2c1 ZINC000422840641 337688639 /nfs/dbraw/zinc/68/86/39/337688639.db2.gz BWGLXHBXLLKSJR-CQSZACIVSA-N 2 0 322.456 3.532 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422864549 337689319 /nfs/dbraw/zinc/68/93/19/337689319.db2.gz VFNMXLMKKLVWSS-PXNSSMCTSA-N 2 0 310.485 3.821 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422870834 337689424 /nfs/dbraw/zinc/68/94/24/337689424.db2.gz ZHTMATKBOZCSMB-QGZVFWFLSA-N 2 0 312.457 3.620 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1OC1CCCC1 ZINC000422877678 337689690 /nfs/dbraw/zinc/68/96/90/337689690.db2.gz INKQWJAAFAZEEC-GJZGRUSLSA-N 2 0 320.477 3.795 20 0 DHADRP CCOCCC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCCC1 ZINC000422887141 337690257 /nfs/dbraw/zinc/69/02/57/337690257.db2.gz KCSZLINVRQMCNN-MJGOQNOKSA-N 2 0 318.505 3.522 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422904245 337690581 /nfs/dbraw/zinc/69/05/81/337690581.db2.gz GMLIMJHTJHWVHZ-RDJZCZTQSA-N 2 0 304.503 3.809 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422908825 337690861 /nfs/dbraw/zinc/69/08/61/337690861.db2.gz ZMKSMWPSIFJZMR-HYVNUMGLSA-N 2 0 316.420 3.891 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1cc(F)ccc1F ZINC000422917298 337691200 /nfs/dbraw/zinc/69/12/00/337691200.db2.gz FWFSBHDGLOFNBM-KPZWWZAWSA-N 2 0 319.399 3.929 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422920642 337691377 /nfs/dbraw/zinc/69/13/77/337691377.db2.gz MLBNYJMWHAFVSX-BVPBIZIASA-N 2 0 322.880 3.618 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422934807 337692279 /nfs/dbraw/zinc/69/22/79/337692279.db2.gz KAKUHOCYNMQHBT-CJNGLKHVSA-N 2 0 315.486 3.911 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H](C)CCC[NH3+])c2ccc(F)cc2)cc1 ZINC000422945666 337693025 /nfs/dbraw/zinc/69/30/25/337693025.db2.gz NPLMMVADRCIRQJ-LIRRHRJNSA-N 2 0 316.420 3.641 20 0 DHADRP C(=C/c1ccccc1)\C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983550 337693702 /nfs/dbraw/zinc/69/37/02/337693702.db2.gz ZXKUKINPGWHDFY-HHGHRULOSA-N 2 0 320.436 3.545 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000422952918 337694670 /nfs/dbraw/zinc/69/46/70/337694670.db2.gz CQPYRVHESBYGMM-CQSZACIVSA-N 2 0 314.404 3.624 20 0 DHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(C2CCCCC2)CCCCC1 ZINC000423023339 337696115 /nfs/dbraw/zinc/69/61/15/337696115.db2.gz JPAPORCNLXKINI-WDSOQIARSA-N 2 0 322.537 3.859 20 0 DHADRP [NH3+]CC1CCC([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC1 ZINC000423026612 337696277 /nfs/dbraw/zinc/69/62/77/337696277.db2.gz QIUZSVZFGMKGIX-UHFFFAOYSA-N 2 0 310.844 3.618 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423062827 337697790 /nfs/dbraw/zinc/69/77/90/337697790.db2.gz NVOMBZDWYFWJEE-BHDSKKPTSA-N 2 0 317.246 3.755 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423094738 337699246 /nfs/dbraw/zinc/69/92/46/337699246.db2.gz KQWUFLWEFKWGKT-DTTGVSNYSA-N 2 0 316.464 3.972 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423112646 337700190 /nfs/dbraw/zinc/70/01/90/337700190.db2.gz SMJYBTLKIMMWEA-FGTMMUONSA-N 2 0 304.503 3.560 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000423120973 337700358 /nfs/dbraw/zinc/70/03/58/337700358.db2.gz AEKPYNATMSXKQU-AEEMCCEDSA-N 2 0 316.464 3.972 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423128568 337700727 /nfs/dbraw/zinc/70/07/27/337700727.db2.gz LBEKXDSZNNZFBH-USXIJHARSA-N 2 0 310.432 3.750 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1CCCCCC1 ZINC000423150525 337701879 /nfs/dbraw/zinc/70/18/79/337701879.db2.gz IVOHZADCBQPXPU-QUCCMNQESA-N 2 0 314.473 3.802 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423171074 337702299 /nfs/dbraw/zinc/70/22/99/337702299.db2.gz NIWCCDIISUCEFD-YOEHRIQHSA-N 2 0 306.881 3.640 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423204393 337703807 /nfs/dbraw/zinc/70/38/07/337703807.db2.gz AMXFHEIFAKFIEO-HTVCTNPSSA-N 2 0 312.910 3.871 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000423214558 337704690 /nfs/dbraw/zinc/70/46/90/337704690.db2.gz PCMWCEZMRFXIQC-JKSUJKDBSA-N 2 0 324.896 3.785 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220361 337705194 /nfs/dbraw/zinc/70/51/94/337705194.db2.gz YGTWAFWRONSLAT-DZGCQCFKSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423223372 337705667 /nfs/dbraw/zinc/70/56/67/337705667.db2.gz GFLHKUJYJOTVTM-QWRGUYRKSA-N 2 0 307.438 3.646 20 0 DHADRP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000423242151 337706766 /nfs/dbraw/zinc/70/67/66/337706766.db2.gz VJUQPLRNSDCHKY-PMPSAXMXSA-N 2 0 312.379 3.683 20 0 DHADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423255514 337707729 /nfs/dbraw/zinc/70/77/29/337707729.db2.gz AHCKLZHUWYPQQN-QGPMSJSTSA-N 2 0 306.881 3.955 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423256286 337707735 /nfs/dbraw/zinc/70/77/35/337707735.db2.gz DVIAFTGWMXWAGX-CJNGLKHVSA-N 2 0 312.404 3.718 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256546 337707754 /nfs/dbraw/zinc/70/77/54/337707754.db2.gz BYWBPUAKKUYDNJ-DNVCBOLYSA-N 2 0 311.473 3.833 20 0 DHADRP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254840 337707763 /nfs/dbraw/zinc/70/77/63/337707763.db2.gz ZRVZVDUMSWISAL-CZUORRHYSA-N 2 0 300.471 3.868 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261360 337708087 /nfs/dbraw/zinc/70/80/87/337708087.db2.gz RYSWSSGQJQCKJC-XHDPSFHLSA-N 2 0 313.272 3.960 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261359 337708090 /nfs/dbraw/zinc/70/80/90/337708090.db2.gz RYSWSSGQJQCKJC-NHYWBVRUSA-N 2 0 313.272 3.960 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423277645 337709067 /nfs/dbraw/zinc/70/90/67/337709067.db2.gz QEQVFEQTCKFECA-NEPJUHHUSA-N 2 0 302.434 3.550 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423277523 337709083 /nfs/dbraw/zinc/70/90/83/337709083.db2.gz OJBIXCNNIHLBGT-IACUBPJLSA-N 2 0 309.523 3.917 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423278825 337709204 /nfs/dbraw/zinc/70/92/04/337709204.db2.gz RQAINQHZYRGQKI-BXUZGUMPSA-N 2 0 320.424 3.555 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423284640 337709384 /nfs/dbraw/zinc/70/93/84/337709384.db2.gz YPGKFAOPCUTZPO-MNOVXSKESA-N 2 0 309.504 3.686 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000423291828 337710157 /nfs/dbraw/zinc/71/01/57/337710157.db2.gz KAFXKJLBMKFAKR-ACJLOTCBSA-N 2 0 318.848 3.837 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000423292427 337710332 /nfs/dbraw/zinc/71/03/32/337710332.db2.gz MYJHCFYWGPLKIM-NWDGAFQWSA-N 2 0 303.475 3.884 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423295771 337710634 /nfs/dbraw/zinc/71/06/34/337710634.db2.gz FOYBVMAZJAUWGJ-WDEREUQCSA-N 2 0 307.438 3.503 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423295770 337710701 /nfs/dbraw/zinc/71/07/01/337710701.db2.gz FOYBVMAZJAUWGJ-QWRGUYRKSA-N 2 0 307.438 3.503 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423300673 337711083 /nfs/dbraw/zinc/71/10/83/337711083.db2.gz DUTIHDKDCVDCDD-GUYCJALGSA-N 2 0 320.383 3.562 20 0 DHADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423332950 337712442 /nfs/dbraw/zinc/71/24/42/337712442.db2.gz HMZPQWCYFBTEGA-MAUKXSAKSA-N 2 0 316.489 3.705 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCCC[NH3+])c2ccccc2Cl)cc1 ZINC000423336097 337712644 /nfs/dbraw/zinc/71/26/44/337712644.db2.gz UQQGJGSKJQAAFQ-GOSISDBHSA-N 2 0 318.848 3.767 20 0 DHADRP FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423351278 337713480 /nfs/dbraw/zinc/71/34/80/337713480.db2.gz HSWPAEDKVURDOI-IAGOWNOFSA-N 2 0 324.390 3.851 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000423356944 337714027 /nfs/dbraw/zinc/71/40/27/337714027.db2.gz HQEOSHPOOHVVEY-JFIYKMOQSA-N 2 0 320.452 3.592 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000423372817 337715181 /nfs/dbraw/zinc/71/51/81/337715181.db2.gz HFLYXMGTGQAGLG-NRFANRHFSA-N 2 0 306.453 3.709 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423405836 337715916 /nfs/dbraw/zinc/71/59/16/337715916.db2.gz UBLZCEGIYITBAK-IOASZLSFSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000423406062 337715945 /nfs/dbraw/zinc/71/59/45/337715945.db2.gz YIPYQOBWHGSERI-ZMLRMANQSA-N 2 0 318.795 3.862 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423424616 337716962 /nfs/dbraw/zinc/71/69/62/337716962.db2.gz FZCZOVIFZQGOGH-MCIONIFRSA-N 2 0 305.491 3.895 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000423426531 337717102 /nfs/dbraw/zinc/71/71/02/337717102.db2.gz FGFGSVJKYYTQLL-RYQLBKOJSA-N 2 0 316.514 3.818 20 0 DHADRP Fc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386670 337718005 /nfs/dbraw/zinc/71/80/05/337718005.db2.gz MHRUPGDNYNDIEQ-WOJBJXKFSA-N 2 0 310.416 3.855 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423392195 337718323 /nfs/dbraw/zinc/71/83/23/337718323.db2.gz LJFBFAIUQXBACM-VYDXJSESSA-N 2 0 320.477 3.523 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423437470 337719113 /nfs/dbraw/zinc/71/91/13/337719113.db2.gz MFYPZAKRALZDLZ-USXIJHARSA-N 2 0 322.880 3.777 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)cc1 ZINC000423461511 337720535 /nfs/dbraw/zinc/72/05/35/337720535.db2.gz CNHXEPOLEAHUSG-OZOXKJRCSA-N 2 0 324.468 3.892 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423460434 337720545 /nfs/dbraw/zinc/72/05/45/337720545.db2.gz BGRIJBPTWRHCJX-JZXOWHBKSA-N 2 0 306.519 3.910 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000423465400 337720797 /nfs/dbraw/zinc/72/07/97/337720797.db2.gz RQGJLRXCSIOTPG-YNEHKIRRSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423469592 337721003 /nfs/dbraw/zinc/72/10/03/337721003.db2.gz CTVBYISPLJXXEK-IUODEOHRSA-N 2 0 300.368 3.888 20 0 DHADRP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423470307 337721162 /nfs/dbraw/zinc/72/11/62/337721162.db2.gz DCUICFPLIKLYAE-GDBMZVCRSA-N 2 0 310.869 3.922 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423474278 337721371 /nfs/dbraw/zinc/72/13/71/337721371.db2.gz ZCIYTFPHLBIZCB-DRGBWMFJSA-N 2 0 318.892 3.767 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423474991 337721586 /nfs/dbraw/zinc/72/15/86/337721586.db2.gz ZOSZJOMYJAGTIB-HUBLWGQQSA-N 2 0 311.267 3.617 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[C@H](C[NH3+])C3)c(C)c2c1 ZINC000423492921 337722654 /nfs/dbraw/zinc/72/26/54/337722654.db2.gz PAAPPVBGOKZFBJ-MELADBBJSA-N 2 0 302.418 3.528 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423491027 337722677 /nfs/dbraw/zinc/72/26/77/337722677.db2.gz YPXIFTGMBKVHCH-UKRRQHHQSA-N 2 0 314.395 3.758 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000423495177 337722851 /nfs/dbraw/zinc/72/28/51/337722851.db2.gz FAGPRWBIHFSZMZ-XFBWCDHKSA-N 2 0 312.379 3.874 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000423502127 337723433 /nfs/dbraw/zinc/72/34/33/337723433.db2.gz JOEHVSRESOJQAT-LMSBXDPUSA-N 2 0 306.881 3.768 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423506390 337723678 /nfs/dbraw/zinc/72/36/78/337723678.db2.gz IPZMRMNGMMZKJQ-DBVUQKKJSA-N 2 0 312.457 3.832 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C12CCCC2 ZINC000423511567 337723950 /nfs/dbraw/zinc/72/39/50/337723950.db2.gz NOJPVGWCEIIZBR-CEXWTWQISA-N 2 0 316.489 3.794 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423522114 337724472 /nfs/dbraw/zinc/72/44/72/337724472.db2.gz XKWHNXVTVPJINY-GUTXKFCHSA-N 2 0 301.459 3.588 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1CC1 ZINC000423537536 337725017 /nfs/dbraw/zinc/72/50/17/337725017.db2.gz KINWQZPEOHPFCA-SFHVURJKSA-N 2 0 304.865 3.561 20 0 DHADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423543862 337725285 /nfs/dbraw/zinc/72/52/85/337725285.db2.gz CGUOGPFWXWUZRG-MRXNPFEDSA-N 2 0 323.278 3.800 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2ccccc2)o1 ZINC000423545282 337725348 /nfs/dbraw/zinc/72/53/48/337725348.db2.gz PDJSENNISZQVDJ-DZJNRPSUSA-N 2 0 310.441 3.985 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000423558354 337725558 /nfs/dbraw/zinc/72/55/58/337725558.db2.gz SILIKWFQYSVQFV-NTDBWNAOSA-N 2 0 318.892 3.639 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCS2 ZINC000423572676 337725675 /nfs/dbraw/zinc/72/56/75/337725675.db2.gz YONQUCKHRDDUHC-OAHLLOKOSA-N 2 0 308.878 3.776 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000536837464 337735478 /nfs/dbraw/zinc/73/54/78/337735478.db2.gz GOMPAWXZZOCMNL-WBVHZDCISA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000536837452 337735533 /nfs/dbraw/zinc/73/55/33/337735533.db2.gz GOMPAWXZZOCMNL-NVXWUHKLSA-N 2 0 304.478 3.856 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527685992 337755752 /nfs/dbraw/zinc/75/57/52/337755752.db2.gz ZBWAISGPZPOWCX-UHFFFAOYSA-N 2 0 320.424 3.977 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424255454 337812777 /nfs/dbraw/zinc/81/27/77/337812777.db2.gz HXHBNJCAROCWOK-KRWDZBQOSA-N 2 0 317.502 3.748 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000533242395 337836905 /nfs/dbraw/zinc/83/69/05/337836905.db2.gz YFSZOWCPLYBXFP-UHFFFAOYSA-N 2 0 312.910 3.706 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120394490 337875064 /nfs/dbraw/zinc/87/50/64/337875064.db2.gz OQCZGTYTDRTZHF-YJBOKZPZSA-N 2 0 322.518 3.563 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000121986083 337904958 /nfs/dbraw/zinc/90/49/58/337904958.db2.gz TZQZFAYIXQYOFQ-RYRKJORJSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000514824907 337971368 /nfs/dbraw/zinc/97/13/68/337971368.db2.gz CFQXBIDITLEFKJ-CWRNSKLLSA-N 2 0 314.395 3.700 20 0 DHADRP CCOC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000516497242 338013762 /nfs/dbraw/zinc/01/37/62/338013762.db2.gz LKIJCPMQKKSYED-MJGOQNOKSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000425923946 338019053 /nfs/dbraw/zinc/01/90/53/338019053.db2.gz MFFWCFVYWMQJIU-CZUORRHYSA-N 2 0 300.437 3.664 20 0 DHADRP Cc1ccc(CCC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000428270829 338044998 /nfs/dbraw/zinc/04/49/98/338044998.db2.gz WFEYTMLXEHAHRM-MJGOQNOKSA-N 2 0 315.505 3.565 20 0 DHADRP CC(C)O[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000428440586 338051643 /nfs/dbraw/zinc/05/16/43/338051643.db2.gz FJCRJWFWSFHEKQ-FQEVSTJZSA-N 2 0 318.505 3.816 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(F)cccc2Cl)[C@H](C)C1 ZINC000429801053 338090191 /nfs/dbraw/zinc/09/01/91/338090191.db2.gz GBLKVUCJCLQEJZ-DYVFJYSZSA-N 2 0 312.860 3.684 20 0 DHADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccc(F)cc4)o3)C2)C1 ZINC000430113772 338097461 /nfs/dbraw/zinc/09/74/61/338097461.db2.gz NTPPRRVBBLLSET-IBGZPJMESA-N 2 0 314.404 3.613 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000430936190 338119169 /nfs/dbraw/zinc/11/91/69/338119169.db2.gz XVIWBHODFSPCLZ-ZDUSSCGKSA-N 2 0 312.910 3.881 20 0 DHADRP Clc1ccc(CCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000431148418 338124082 /nfs/dbraw/zinc/12/40/82/338124082.db2.gz GQTDWJJLCBZOTK-SFHVURJKSA-N 2 0 316.832 3.821 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431602316 338134493 /nfs/dbraw/zinc/13/44/93/338134493.db2.gz FQZOFXMAPXILFP-MSOLQXFVSA-N 2 0 318.530 3.975 20 0 DHADRP CCc1ccc([C@H](CC)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432408268 338155106 /nfs/dbraw/zinc/15/51/06/338155106.db2.gz SQYCNGBQHPKUGJ-PXNSSMCTSA-N 2 0 318.505 3.791 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000432744537 338165777 /nfs/dbraw/zinc/16/57/77/338165777.db2.gz KEQNPNSTCPAYFA-UHFFFAOYSA-N 2 0 321.465 3.599 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753572 338166597 /nfs/dbraw/zinc/16/65/97/338166597.db2.gz VGYCATMMDSQIEV-DOMZBBRYSA-N 2 0 321.465 3.598 20 0 DHADRP C[C@@H]1C[C@H](N(C)Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000432754718 338166658 /nfs/dbraw/zinc/16/66/58/338166658.db2.gz NHJGZXWKBFXKAV-GHMZBOCLSA-N 2 0 306.397 3.681 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC2CCOCC2)CC1 ZINC000432814123 338168845 /nfs/dbraw/zinc/16/88/45/338168845.db2.gz RPWZDLWWVBMUST-GOSISDBHSA-N 2 0 322.537 3.780 20 0 DHADRP CC[N@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435394446 338238832 /nfs/dbraw/zinc/23/88/32/338238832.db2.gz NKUIYPTUNBCVDI-FQEVSTJZSA-N 2 0 309.457 3.713 20 0 DHADRP COc1cc(Cl)c(CN(C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000435439441 338240163 /nfs/dbraw/zinc/24/01/63/338240163.db2.gz VCLNFLCDUDHBNH-GFCCVEGCSA-N 2 0 317.260 3.576 20 0 DHADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436293819 338266854 /nfs/dbraw/zinc/26/68/54/338266854.db2.gz DUQLZMQZRWOWBB-FCGDIQPGSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000437576106 338314001 /nfs/dbraw/zinc/31/40/01/338314001.db2.gz FIEAVQXXISJEFZ-MRXNPFEDSA-N 2 0 304.453 3.737 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000437582826 338314619 /nfs/dbraw/zinc/31/46/19/338314619.db2.gz OJZTXFOMICFFJI-UHFFFAOYSA-N 2 0 304.478 3.509 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437756023 338320219 /nfs/dbraw/zinc/32/02/19/338320219.db2.gz FTFAQVWFIVOUMS-MISYRCLQSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000438186170 338335574 /nfs/dbraw/zinc/33/55/74/338335574.db2.gz FVKWCZVUSHISBM-AWEZNQCLSA-N 2 0 318.411 3.747 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446890805 338539922 /nfs/dbraw/zinc/53/99/22/338539922.db2.gz PLVBDWOBSIOWJY-VQTJNVASSA-N 2 0 316.464 3.926 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000449133344 338596000 /nfs/dbraw/zinc/59/60/00/338596000.db2.gz DHPRVUNHALZSRE-MBOZVWFJSA-N 2 0 300.490 3.860 20 0 DHADRP COc1cc(C)ccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000449218255 338603303 /nfs/dbraw/zinc/60/33/03/338603303.db2.gz GRDSCSWDGIHDMT-UHFFFAOYSA-N 2 0 324.468 3.889 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000450264821 338674047 /nfs/dbraw/zinc/67/40/47/338674047.db2.gz VKZPMRKPQOEAPV-MRXNPFEDSA-N 2 0 300.437 3.620 20 0 DHADRP FC1(F)CCC(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000459301738 339020307 /nfs/dbraw/zinc/02/03/07/339020307.db2.gz MWVDMZJDKVSJNV-UHFFFAOYSA-N 2 0 300.437 3.620 20 0 DHADRP CC(C)c1ccc(C[C@H]2CC[N@H+](CCc3cncn3C)C2)cc1 ZINC000459405428 339027397 /nfs/dbraw/zinc/02/73/97/339027397.db2.gz SNZJUJFYHAJLDR-GOSISDBHSA-N 2 0 311.473 3.651 20 0 DHADRP Clc1cccc(CC[NH2+]CCCCNc2ccccn2)c1 ZINC000459410616 339027680 /nfs/dbraw/zinc/02/76/80/339027680.db2.gz SRBHVVPBOUTQHT-UHFFFAOYSA-N 2 0 303.837 3.759 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459426607 339028480 /nfs/dbraw/zinc/02/84/80/339028480.db2.gz MKZVIJRZYDBEQG-QHGAOEGBSA-N 2 0 300.490 3.817 20 0 DHADRP c1cc(N2CCC(C[NH2+]Cc3ccc(C4CC4)cc3)CC2)cc[nH+]1 ZINC000459454043 339030064 /nfs/dbraw/zinc/03/00/64/339030064.db2.gz BJXAAXJKBBUZLQ-UHFFFAOYSA-N 2 0 321.468 3.965 20 0 DHADRP CC[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459577762 339036922 /nfs/dbraw/zinc/03/69/22/339036922.db2.gz WJTFBONWBHXBQQ-IRXDYDNUSA-N 2 0 301.478 3.856 20 0 DHADRP Clc1cccc(CC2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000459725337 339044583 /nfs/dbraw/zinc/04/45/83/339044583.db2.gz ZTRFSZXISHDILK-MSOLQXFVSA-N 2 0 318.892 3.879 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000459729371 339044880 /nfs/dbraw/zinc/04/48/80/339044880.db2.gz JFDRULWMPLHWDK-CQSZACIVSA-N 2 0 317.864 3.710 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000459740521 339045470 /nfs/dbraw/zinc/04/54/70/339045470.db2.gz UOBLWZICBIIYNN-KRWDZBQOSA-N 2 0 309.457 3.570 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000462110416 339072299 /nfs/dbraw/zinc/07/22/99/339072299.db2.gz IGESLWAKPOZVBQ-UKRRQHHQSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000462787497 339088555 /nfs/dbraw/zinc/08/85/55/339088555.db2.gz KGSDYGJVRKARLF-USYVTKNRSA-N 2 0 322.537 3.539 20 0 DHADRP COc1ccc(F)cc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000462798362 339089577 /nfs/dbraw/zinc/08/95/77/339089577.db2.gz KNOQBVCPIKUCHN-IYBDPMFKSA-N 2 0 322.468 3.682 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[NH+](C)C ZINC000462893780 339096446 /nfs/dbraw/zinc/09/64/46/339096446.db2.gz MHBGREZMHJTSST-OAHLLOKOSA-N 2 0 301.478 3.765 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000463025053 339101082 /nfs/dbraw/zinc/10/10/82/339101082.db2.gz NRLSSDVXMVPAAI-SQNIBIBYSA-N 2 0 310.526 3.536 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463278334 339113004 /nfs/dbraw/zinc/11/30/04/339113004.db2.gz VNVPCWWXUIFEQJ-FMKPAKJESA-N 2 0 314.395 3.970 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)C1 ZINC000466347973 339200292 /nfs/dbraw/zinc/20/02/92/339200292.db2.gz UTZAHIHOJBATPY-AOIWGVFYSA-N 2 0 320.521 3.578 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@H](C)C1 ZINC000466360736 339200752 /nfs/dbraw/zinc/20/07/52/339200752.db2.gz IZULLSJOOBNSEX-XSCHDIRWSA-N 2 0 306.416 3.675 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000467305298 339230710 /nfs/dbraw/zinc/23/07/10/339230710.db2.gz RHKUEPVTZUWWBT-RDTXWAMCSA-N 2 0 322.468 3.922 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467387884 339236080 /nfs/dbraw/zinc/23/60/80/339236080.db2.gz DTGFHPIVMVGCJN-STQMWFEESA-N 2 0 302.384 3.566 20 0 DHADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000467431735 339238017 /nfs/dbraw/zinc/23/80/17/339238017.db2.gz DDEBLXDPZVIVRX-BWPNAZKDSA-N 2 0 300.490 3.923 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000468962396 339276029 /nfs/dbraw/zinc/27/60/29/339276029.db2.gz JWDAYEXOPJDCIA-IBGZPJMESA-N 2 0 300.490 3.770 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000469041900 339278424 /nfs/dbraw/zinc/27/84/24/339278424.db2.gz NVLXTWDVIXYJPE-KVPLUYHFSA-N 2 0 302.506 3.820 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000469182745 339282345 /nfs/dbraw/zinc/28/23/45/339282345.db2.gz ZYNXNTGNDKGLMI-FXAWDEMLSA-N 2 0 318.505 3.728 20 0 DHADRP CC[NH+](CC)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000469257844 339284422 /nfs/dbraw/zinc/28/44/22/339284422.db2.gz PKUYEUXAJRGRJQ-RTBURBONSA-N 2 0 301.478 3.567 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000469849844 339302647 /nfs/dbraw/zinc/30/26/47/339302647.db2.gz AVDTWVDTIIPCQG-UHFFFAOYSA-N 2 0 321.515 3.693 20 0 DHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000469857217 339302915 /nfs/dbraw/zinc/30/29/15/339302915.db2.gz SLGVESJXSQEIMT-OLZOCXBDSA-N 2 0 304.434 3.723 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@@H]21 ZINC000469871228 339303397 /nfs/dbraw/zinc/30/33/97/339303397.db2.gz LJQKBPKXVCRIIW-LSTHTHJFSA-N 2 0 314.473 3.567 20 0 DHADRP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000469880603 339303622 /nfs/dbraw/zinc/30/36/22/339303622.db2.gz NXKOKZVTIROTPZ-QFBILLFUSA-N 2 0 302.462 3.612 20 0 DHADRP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469880601 339303721 /nfs/dbraw/zinc/30/37/21/339303721.db2.gz NXKOKZVTIROTPZ-APWZRJJASA-N 2 0 302.462 3.612 20 0 DHADRP CCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000470011382 339308343 /nfs/dbraw/zinc/30/83/43/339308343.db2.gz KELVNYGUAYFUDH-JWTNVVGKSA-N 2 0 302.462 3.580 20 0 DHADRP c1c2ccccc2sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000470013723 339308551 /nfs/dbraw/zinc/30/85/51/339308551.db2.gz QLHREJIVFUOPAO-KRWDZBQOSA-N 2 0 300.471 3.865 20 0 DHADRP C[N@H+](Cc1ccc(-c2cccc(F)c2)s1)C1CC[NH2+]CC1 ZINC000470015401 339308609 /nfs/dbraw/zinc/30/86/09/339308609.db2.gz ALQPPXRODANLCW-UHFFFAOYSA-N 2 0 304.434 3.738 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(Cl)c2)C[C@H]1C ZINC000470201503 339313976 /nfs/dbraw/zinc/31/39/76/339313976.db2.gz HVCTVGOJCKSECY-GDBMZVCRSA-N 2 0 310.869 3.523 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000470300305 339316634 /nfs/dbraw/zinc/31/66/34/339316634.db2.gz VDOIENFTWFIWJM-OLZOCXBDSA-N 2 0 302.384 3.566 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2ccc(Cl)cc2)C1 ZINC000470968722 339333427 /nfs/dbraw/zinc/33/34/27/339333427.db2.gz NLEFMRBZUQAICC-SFHVURJKSA-N 2 0 320.908 3.936 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)cc2c1C ZINC000472049396 339360922 /nfs/dbraw/zinc/36/09/22/339360922.db2.gz QWAUAKPFWQDIJV-QGZVFWFLSA-N 2 0 313.489 3.995 20 0 DHADRP C[C@@H](C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1)CC1CCCCC1 ZINC000472151845 339364514 /nfs/dbraw/zinc/36/45/14/339364514.db2.gz FTCIJPPWLKLLEK-GOSISDBHSA-N 2 0 323.569 3.599 20 0 DHADRP COc1cccc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000472754997 339377060 /nfs/dbraw/zinc/37/70/60/339377060.db2.gz STUXJGJTYBKDDQ-IBGZPJMESA-N 2 0 316.489 3.749 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC000480670386 339582500 /nfs/dbraw/zinc/58/25/00/339582500.db2.gz PMEDYVCOWLVKOM-IPYPFGDCSA-N 2 0 306.416 3.818 20 0 DHADRP Cc1ccc(SCC[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000481013557 339592999 /nfs/dbraw/zinc/59/29/99/339592999.db2.gz LRWVDJKDPCMTHR-UHFFFAOYSA-N 2 0 306.519 3.669 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)Cc1ccccc1 ZINC000482215153 339626315 /nfs/dbraw/zinc/62/63/15/339626315.db2.gz TUZCJNOJUULTJP-MRXNPFEDSA-N 2 0 314.448 3.856 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000486931591 339738722 /nfs/dbraw/zinc/73/87/22/339738722.db2.gz UCBIQQAPKBISAF-LJQANCHMSA-N 2 0 318.530 3.761 20 0 DHADRP C[C@H]([NH2+]CCCCC1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000499624730 340041418 /nfs/dbraw/zinc/04/14/18/340041418.db2.gz JICIJKAQNSHNSR-PKOBYXMFSA-N 2 0 322.537 3.826 20 0 DHADRP CCc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501063321 340073579 /nfs/dbraw/zinc/07/35/79/340073579.db2.gz NXXICVXSOLQEPP-UHFFFAOYSA-N 2 0 323.484 3.992 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000501764450 340088132 /nfs/dbraw/zinc/08/81/32/340088132.db2.gz HQHFOYUGVXEGBK-GOSISDBHSA-N 2 0 318.505 3.818 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000501785111 340088273 /nfs/dbraw/zinc/08/82/73/340088273.db2.gz KEIXTCNOFCPNCD-UHFFFAOYSA-N 2 0 324.896 3.773 20 0 DHADRP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CCCN1C1CCCCC1 ZINC000502326697 340099959 /nfs/dbraw/zinc/09/99/59/340099959.db2.gz OLULMAFXSUILAT-RBUKOAKNSA-N 2 0 320.521 3.722 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000502688067 340110603 /nfs/dbraw/zinc/11/06/03/340110603.db2.gz VQMWOHIIZXQFKG-IPMKNSEASA-N 2 0 310.526 3.682 20 0 DHADRP C[N@@H+]1CCC[C@H]1CCN1CCC(=Cc2ccccc2F)CC1 ZINC000503080322 340120525 /nfs/dbraw/zinc/12/05/25/340120525.db2.gz KKTXCSWNEIMXSX-SFHVURJKSA-N 2 0 302.437 3.789 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000503081931 340120608 /nfs/dbraw/zinc/12/06/08/340120608.db2.gz UJOYGUJWQZCQFG-WOJBJXKFSA-N 2 0 300.490 3.816 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000504900025 340155323 /nfs/dbraw/zinc/15/53/23/340155323.db2.gz PZLOFGJNGBDITA-JKSUJKDBSA-N 2 0 322.468 3.997 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)ccc1F ZINC000504929438 340156640 /nfs/dbraw/zinc/15/66/40/340156640.db2.gz IUISRIICCPZNHR-GUYCJALGSA-N 2 0 310.457 3.851 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000506868189 340203103 /nfs/dbraw/zinc/20/31/03/340203103.db2.gz QTOYKGDOAFSQJG-UHFFFAOYSA-N 2 0 316.420 3.859 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000506883125 340203148 /nfs/dbraw/zinc/20/31/48/340203148.db2.gz DZWZFOVTZHIDMR-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000507191960 340212294 /nfs/dbraw/zinc/21/22/94/340212294.db2.gz QNSBEEFSBQJAMU-QGZVFWFLSA-N 2 0 317.521 3.693 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000507467593 340221005 /nfs/dbraw/zinc/22/10/05/340221005.db2.gz GBBZZXQMRGUXHD-SJORKVTESA-N 2 0 303.494 3.949 20 0 DHADRP CCOC1CC(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC000508993496 340257460 /nfs/dbraw/zinc/25/74/60/340257460.db2.gz YJWDTUAZQCMWGO-UHFFFAOYSA-N 2 0 322.537 3.636 20 0 DHADRP FCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509375884 340267722 /nfs/dbraw/zinc/26/77/22/340267722.db2.gz XZDKLJTYQLVFSN-RTBURBONSA-N 2 0 304.453 3.723 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000510013318 340285389 /nfs/dbraw/zinc/28/53/89/340285389.db2.gz JFEACBWZFKVEIO-FSEPTYSPSA-N 2 0 316.489 3.558 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000510170462 340291482 /nfs/dbraw/zinc/29/14/82/340291482.db2.gz QBHVMYIKFWIDBP-IJVDHGTGSA-N 2 0 308.416 3.832 20 0 DHADRP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000303137078 340304344 /nfs/dbraw/zinc/30/43/44/340304344.db2.gz CGFKDZGWESPKOZ-QFIPXVFZSA-N 2 0 322.496 3.903 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000510648055 340305021 /nfs/dbraw/zinc/30/50/21/340305021.db2.gz DIVJKGLONDHHMI-RBSFLKMASA-N 2 0 310.432 3.748 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510660751 340305479 /nfs/dbraw/zinc/30/54/79/340305479.db2.gz ZVONWDUCSKYZJU-CQSZACIVSA-N 2 0 310.432 3.750 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510753228 340309732 /nfs/dbraw/zinc/30/97/32/340309732.db2.gz QHJQUKAMHNOBOQ-JKSUJKDBSA-N 2 0 324.459 3.996 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000511019455 340318487 /nfs/dbraw/zinc/31/84/87/340318487.db2.gz SNWABXILZKHFHZ-UXPWSPDFSA-N 2 0 322.537 3.560 20 0 DHADRP C[NH+](C)CCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511605374 340332103 /nfs/dbraw/zinc/33/21/03/340332103.db2.gz PXCIRTGMHDYNGZ-OAHLLOKOSA-N 2 0 316.367 3.578 20 0 DHADRP C[NH+](C)CC1(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CCCC1 ZINC000511910248 340342640 /nfs/dbraw/zinc/34/26/40/340342640.db2.gz IFIVZQNRLQVLSJ-AATRIKPKSA-N 2 0 308.416 3.690 20 0 DHADRP CCC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000512022955 340345569 /nfs/dbraw/zinc/34/55/69/340345569.db2.gz IRQHTPSFTARPPN-SAPNQHFASA-N 2 0 316.489 3.700 20 0 DHADRP COc1ccsc1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512194955 340351982 /nfs/dbraw/zinc/35/19/82/340351982.db2.gz MKQJQIOPQOCDND-HOTGVXAUSA-N 2 0 322.518 3.843 20 0 DHADRP CCOc1cccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000512836504 340380013 /nfs/dbraw/zinc/38/00/13/340380013.db2.gz YZPPPHBFJZOCCB-HDICACEKSA-N 2 0 318.505 3.933 20 0 DHADRP CCOc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000512836506 340380039 /nfs/dbraw/zinc/38/00/39/340380039.db2.gz YZPPPHBFJZOCCB-ROUUACIJSA-N 2 0 318.505 3.933 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000513223701 340398088 /nfs/dbraw/zinc/39/80/88/340398088.db2.gz NQLDTRYIFJPWKL-HKUYNNGSSA-N 2 0 324.553 3.950 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000513330883 340402832 /nfs/dbraw/zinc/40/28/32/340402832.db2.gz PGBDDIDFBSVMSV-HKUYNNGSSA-N 2 0 323.569 3.740 20 0 DHADRP CCC(C)(C)C1CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186600735 340514697 /nfs/dbraw/zinc/51/46/97/340514697.db2.gz QDTWNRWAVIADML-LMDPOFIKSA-N 2 0 323.569 3.597 20 0 DHADRP CSC1(C[NH2+][C@H](C)CCc2cccc(F)c2)CC[NH+](C)CC1 ZINC000521521165 340523146 /nfs/dbraw/zinc/52/31/46/340523146.db2.gz WPMJQXPUXLPTDJ-OAHLLOKOSA-N 2 0 324.509 3.564 20 0 DHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000523669748 340632080 /nfs/dbraw/zinc/63/20/80/340632080.db2.gz WHFKUCPOAJREQQ-UHFFFAOYSA-N 2 0 316.489 3.588 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000316468638 340686095 /nfs/dbraw/zinc/68/60/95/340686095.db2.gz QMDVNFXAAQXMIG-INIZCTEOSA-N 2 0 304.478 3.701 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000123778530 340794805 /nfs/dbraw/zinc/79/48/05/340794805.db2.gz HYZADNPCYZYYFD-GJZGRUSLSA-N 2 0 310.457 3.995 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000564201171 340808631 /nfs/dbraw/zinc/80/86/31/340808631.db2.gz XFIVSRQPXNVONZ-UXHICEINSA-N 2 0 316.489 3.699 20 0 DHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC000539314365 340880645 /nfs/dbraw/zinc/88/06/45/340880645.db2.gz UZVQVLVAEPOOPA-MRXNPFEDSA-N 2 0 319.468 3.584 20 0 DHADRP CCC(CC)(CC)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000541090747 340958776 /nfs/dbraw/zinc/95/87/76/340958776.db2.gz WDQFRHREVVXPKO-RTBURBONSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000541568640 340975106 /nfs/dbraw/zinc/97/51/06/340975106.db2.gz ZQQJQRDFOFVDBZ-MAUKXSAKSA-N 2 0 322.518 3.563 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000542277847 341003055 /nfs/dbraw/zinc/00/30/55/341003055.db2.gz AFTJUPMMVMVLEC-KBXCAEBGSA-N 2 0 306.881 3.991 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@H+](C)CCCn1ccnc1 ZINC000130358690 341019658 /nfs/dbraw/zinc/01/96/58/341019658.db2.gz ZSULYHMMWHRSCE-MRXNPFEDSA-N 2 0 303.475 3.776 20 0 DHADRP c1c(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)nc2n1CCCC2 ZINC000130471379 341022597 /nfs/dbraw/zinc/02/25/97/341022597.db2.gz OLQWILUNNQEFQH-ROUUACIJSA-N 2 0 309.457 3.688 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCn2c3ccccc3c3ccccc32)CC[N@@H+]1C ZINC000543427630 341044005 /nfs/dbraw/zinc/04/40/05/341044005.db2.gz QNOCULXRPLIWFZ-IRXDYDNUSA-N 2 0 321.468 3.867 20 0 DHADRP CN(C/C=C/c1ccc(F)cc1F)CC[C@@H]1CCCC[N@@H+]1C ZINC000543632339 341052300 /nfs/dbraw/zinc/05/23/00/341052300.db2.gz UCFPSIOUMDGXMB-RTRPANQVSA-N 2 0 308.416 3.784 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccc(F)cc2F)C[C@H]1C ZINC000543632146 341052351 /nfs/dbraw/zinc/05/23/51/341052351.db2.gz UIHQPZXZNHFTMB-SWFLQVRRSA-N 2 0 308.416 3.783 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]CC1CC[NH+](CC)CC1 ZINC000564271455 341055080 /nfs/dbraw/zinc/05/50/80/341055080.db2.gz PHEPHCYPEPEPDY-UHFFFAOYSA-N 2 0 310.869 3.560 20 0 DHADRP CC(C)[NH+]1CCC([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000543877374 341062401 /nfs/dbraw/zinc/06/24/01/341062401.db2.gz DBHXOJFUOZTPTO-UHFFFAOYSA-N 2 0 300.490 3.814 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000132139594 341117162 /nfs/dbraw/zinc/11/71/62/341117162.db2.gz IUEXZBXCNCRDHJ-UONOGXRCSA-N 2 0 319.518 3.966 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000134403344 341214727 /nfs/dbraw/zinc/21/47/27/341214727.db2.gz RZHDUFXAMDPNJT-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CC1(C)CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C1 ZINC000136110834 341252930 /nfs/dbraw/zinc/25/29/30/341252930.db2.gz DEROHKYPKYLPCF-QGZVFWFLSA-N 2 0 308.510 3.580 20 0 DHADRP c1ccc(SCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000079618793 341262234 /nfs/dbraw/zinc/26/22/34/341262234.db2.gz NSGBBNRPTSJOJY-UHFFFAOYSA-N 2 0 304.503 3.587 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000549613310 341299038 /nfs/dbraw/zinc/29/90/38/341299038.db2.gz DHZSICBVDMJVNR-ZCNNSNEGSA-N 2 0 322.537 3.559 20 0 DHADRP Fc1cccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000245532920 341300118 /nfs/dbraw/zinc/30/01/18/341300118.db2.gz UWALSURIUPZUBF-FXAWDEMLSA-N 2 0 316.464 3.707 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CCC(C(F)(F)F)CC3)C2)C1 ZINC000550238256 341313195 /nfs/dbraw/zinc/31/31/95/341313195.db2.gz ZOUNGKQMNQVBJO-GPANFISMSA-N 2 0 318.427 3.773 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000550882143 341325327 /nfs/dbraw/zinc/32/53/27/341325327.db2.gz ILTVMKYEMHEPEZ-KRWDZBQOSA-N 2 0 304.478 3.920 20 0 DHADRP F[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000550932430 341327148 /nfs/dbraw/zinc/32/71/48/341327148.db2.gz WRZVNFWMQGANOV-XCDZQEORSA-N 2 0 302.437 3.662 20 0 DHADRP CC[NH+]1CCC([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000551240021 341334960 /nfs/dbraw/zinc/33/49/60/341334960.db2.gz CJRZRNDUBXBWOZ-INIZCTEOSA-N 2 0 314.395 3.797 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCCC2 ZINC000551264397 341336003 /nfs/dbraw/zinc/33/60/03/341336003.db2.gz ZACZLYYUAWLMMM-QZTJIDSGSA-N 2 0 308.510 3.580 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CSC2(C)C)CC1 ZINC000551310210 341338082 /nfs/dbraw/zinc/33/80/82/341338082.db2.gz WUMPAFWPOKBEIU-ABHNRTSZSA-N 2 0 318.530 3.913 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000246455360 341349242 /nfs/dbraw/zinc/34/92/42/341349242.db2.gz PMNJIJTVMPBLEY-ICSRJNTNSA-N 2 0 318.505 3.530 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)C1 ZINC000246738280 341356652 /nfs/dbraw/zinc/35/66/52/341356652.db2.gz GNWLPCGZNOYYEL-YOEHRIQHSA-N 2 0 322.880 3.794 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000246840132 341357629 /nfs/dbraw/zinc/35/76/29/341357629.db2.gz CCSVKOXLJFCIJY-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000246864498 341357903 /nfs/dbraw/zinc/35/79/03/341357903.db2.gz SNNBDPBSWPCSTA-PZJWPPBQSA-N 2 0 324.468 3.765 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247014209 341359891 /nfs/dbraw/zinc/35/98/91/341359891.db2.gz LJMNHFRCMSUMSH-RBSFLKMASA-N 2 0 317.502 3.720 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126790 341361290 /nfs/dbraw/zinc/36/12/90/341361290.db2.gz AQFJWBQOVNXQMW-CRAIPNDOSA-N 2 0 322.880 3.525 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2csc3ccccc23)[C@@H](C)C1 ZINC000247165635 341361755 /nfs/dbraw/zinc/36/17/55/341361755.db2.gz YDEPIJPWVGRWGI-WMLDXEAASA-N 2 0 302.487 3.764 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552063340 341366494 /nfs/dbraw/zinc/36/64/94/341366494.db2.gz XKJPGMBSNSZPSZ-AQNXPRMDSA-N 2 0 315.505 3.813 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248040349 341372646 /nfs/dbraw/zinc/37/26/46/341372646.db2.gz SSYRIQKRPTTYKX-BBRMVZONSA-N 2 0 312.910 3.752 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000248142543 341373911 /nfs/dbraw/zinc/37/39/11/341373911.db2.gz PVDJHTPQOWVRTA-UYAOXDASSA-N 2 0 324.468 3.635 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000248175401 341374413 /nfs/dbraw/zinc/37/44/13/341374413.db2.gz VMKSSOSTNRDMEM-BXWFABGCSA-N 2 0 304.478 3.509 20 0 DHADRP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552225206 341379419 /nfs/dbraw/zinc/37/94/19/341379419.db2.gz DLUQLWHBEMPNLF-VAMGGRTRSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000248572404 341380235 /nfs/dbraw/zinc/38/02/35/341380235.db2.gz MXXHQSONDPMOQF-SQNIBIBYSA-N 2 0 308.510 3.530 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000552270776 341382739 /nfs/dbraw/zinc/38/27/39/341382739.db2.gz BYEYZGMBCIOKRB-XUVXKRRUSA-N 2 0 318.505 3.659 20 0 DHADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249152479 341394772 /nfs/dbraw/zinc/39/47/72/341394772.db2.gz YBLINWZLKLROAF-OWCLPIDISA-N 2 0 312.379 3.549 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000250699017 341407115 /nfs/dbraw/zinc/40/71/15/341407115.db2.gz SAGPGXUUZQOAGN-BZUAXINKSA-N 2 0 306.519 3.926 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000091333022 341424838 /nfs/dbraw/zinc/42/48/38/341424838.db2.gz KMZIJUCZMUGUIX-HXUWFJFHSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168030 341476464 /nfs/dbraw/zinc/47/64/64/341476464.db2.gz OWZAXYSLPDTDLF-HOJAQTOUSA-N 2 0 300.490 3.890 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]CCCCC[NH+]2CCCC2)cc1F ZINC000555612099 341487000 /nfs/dbraw/zinc/48/70/00/341487000.db2.gz RUXXDVMFBVQMRS-VOTSOKGWSA-N 2 0 308.416 3.834 20 0 DHADRP c1ccc(OCCCCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000564656863 341506303 /nfs/dbraw/zinc/50/63/03/341506303.db2.gz WXZXNAMQBSLYFE-HXUWFJFHSA-N 2 0 316.489 3.700 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000262381064 341521151 /nfs/dbraw/zinc/52/11/51/341521151.db2.gz YSPWHULGNKOHHF-UHFFFAOYSA-N 2 0 318.358 3.666 20 0 DHADRP c1nc(C2CCCCC2)sc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000565350884 341524867 /nfs/dbraw/zinc/52/48/67/341524867.db2.gz CTPZFQKGYSXWFW-CQSZACIVSA-N 2 0 307.507 3.670 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Oc2ccccc2)cn1 ZINC000566555846 341561702 /nfs/dbraw/zinc/56/17/02/341561702.db2.gz OLKLCZHBJGVQDD-HRCADAONSA-N 2 0 311.429 3.652 20 0 DHADRP Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000157115491 341632783 /nfs/dbraw/zinc/63/27/83/341632783.db2.gz RVYGSZMZEVQWNF-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP c1sc2ccccc2c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567870864 341637844 /nfs/dbraw/zinc/63/78/44/341637844.db2.gz SIYYWHWCDALWKS-HNNXBMFYSA-N 2 0 300.471 3.723 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000567894561 341639300 /nfs/dbraw/zinc/63/93/00/341639300.db2.gz DPUZITPQIHUSPL-CYBMUJFWSA-N 2 0 320.383 3.906 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1sccc1Br ZINC000568856695 341683589 /nfs/dbraw/zinc/68/35/89/341683589.db2.gz TVBRXFNMMFYUDK-ZJUUUORDSA-N 2 0 305.285 3.679 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000569211351 341694190 /nfs/dbraw/zinc/69/41/90/341694190.db2.gz FXOACUXZKXITOB-JTQLQIEISA-N 2 0 318.795 3.592 20 0 DHADRP FC(F)Oc1ccccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000572728361 341702132 /nfs/dbraw/zinc/70/21/32/341702132.db2.gz MAUJDRQJHXOKMG-UHFFFAOYSA-N 2 0 312.404 3.644 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000573997793 341745553 /nfs/dbraw/zinc/74/55/53/341745553.db2.gz LTKQMAGREABUHE-PMACEKPBSA-N 2 0 300.490 3.719 20 0 DHADRP CCCC[C@@H](CC)CC[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000574486365 341760056 /nfs/dbraw/zinc/76/00/56/341760056.db2.gz BNVKMDKNHIRQHR-LJQANCHMSA-N 2 0 323.569 3.552 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000577499010 341913001 /nfs/dbraw/zinc/91/30/01/341913001.db2.gz SRJOYDBDEAJZKA-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337336593 519678429 /nfs/dbraw/zinc/67/84/29/519678429.db2.gz MGANYWAZRPXZBN-WSTZPKSXSA-N 2 0 315.505 3.818 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000182084569 519733160 /nfs/dbraw/zinc/73/31/60/519733160.db2.gz KSEHBVRFTRMQOK-KDOFPFPSSA-N 2 0 319.493 3.662 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189756827 519843807 /nfs/dbraw/zinc/84/38/07/519843807.db2.gz GQXPPHZMZOLLRS-UHFFFAOYSA-N 2 0 311.473 3.849 20 0 DHADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000189273055 520374450 /nfs/dbraw/zinc/37/44/50/520374450.db2.gz ZERVPNFFEWTPKZ-ZWKOTPCHSA-N 2 0 302.462 3.500 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000249305345 520757930 /nfs/dbraw/zinc/75/79/30/520757930.db2.gz JBJSLYYJPBDOAP-GPMSIDNRSA-N 2 0 303.494 3.669 20 0 DHADRP CCC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000236940780 521119191 /nfs/dbraw/zinc/11/91/91/521119191.db2.gz KVRAZWYBDMQNKR-KRWDZBQOSA-N 2 0 317.477 3.517 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337265182 524048625 /nfs/dbraw/zinc/04/86/25/524048625.db2.gz TYDJUFNFQXNPCU-YTQPIUFNSA-N 2 0 315.505 3.818 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190842349 524202655 /nfs/dbraw/zinc/20/26/55/524202655.db2.gz NDOYJUFBSRXWCM-JKSUJKDBSA-N 2 0 312.379 3.730 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000158178595 524805196 /nfs/dbraw/zinc/80/51/96/524805196.db2.gz OSQQCWHQQFXHRQ-NHYWBVRUSA-N 2 0 301.261 3.608 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367708120 525176590 /nfs/dbraw/zinc/17/65/90/525176590.db2.gz NVGIYHIRHCXNPL-HJZRJOMTSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccnc2)cc1 ZINC000181325499 525362874 /nfs/dbraw/zinc/36/28/74/525362874.db2.gz FQFFFYSRQZWHCW-OXJNMPFZSA-N 2 0 309.457 3.884 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000131761023 525441745 /nfs/dbraw/zinc/44/17/45/525441745.db2.gz ILEGOVPAXTUSSH-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1F ZINC000162528291 525535383 /nfs/dbraw/zinc/53/53/83/525535383.db2.gz IURDZHYWBOUMMM-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CCCC2)c1 ZINC000157874495 525849528 /nfs/dbraw/zinc/84/95/28/525849528.db2.gz NXUKMUBBPDQTBQ-SJLPKXTDSA-N 2 0 316.489 3.579 20 0 DHADRP Cc1cncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000189863850 526192321 /nfs/dbraw/zinc/19/23/21/526192321.db2.gz AEBXRZRWFDAQEH-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccn2)CC1 ZINC000158863799 526246815 /nfs/dbraw/zinc/24/68/15/526246815.db2.gz NEHKHUUJXLBDAE-KRWDZBQOSA-N 2 0 301.478 3.558 20 0 DHADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000337272163 526548032 /nfs/dbraw/zinc/54/80/32/526548032.db2.gz CANWFUXHMDXYAU-HSFDUWRESA-N 2 0 313.489 3.714 20 0 DHADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCOC3(C)C)c2)CC1 ZINC000340229288 535281649 /nfs/dbraw/zinc/28/16/49/535281649.db2.gz UCOMHCNCZHULRS-IBGZPJMESA-N 2 0 316.489 3.576 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340464658 535522026 /nfs/dbraw/zinc/52/20/26/535522026.db2.gz RQQZDGQDMIAVEJ-QAPCUYQASA-N 2 0 304.478 3.870 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000154870288 1013054831 /nfs/dbraw/zinc/05/48/31/1013054831.db2.gz QYFAWAWDSKNNAP-HNNXBMFYSA-N 2 0 315.436 3.912 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000180459722 1013091930 /nfs/dbraw/zinc/09/19/30/1013091930.db2.gz XBDXBDMUIDRVEK-GOSISDBHSA-N 2 0 306.519 3.735 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2c(F)ccc(Cl)c2F)CC1 ZINC001168294715 1032067916 /nfs/dbraw/zinc/06/79/16/1032067916.db2.gz DBQNSFRGCUGBHL-UHFFFAOYSA-N 2 0 302.796 3.581 20 0 DHADRP CCC[N@H+](Cc1ccc(C(F)(F)F)cc1C)C1CC[NH2+]CC1 ZINC000261970002 1013187070 /nfs/dbraw/zinc/18/70/70/1013187070.db2.gz QEBLJNNIWFPTLY-UHFFFAOYSA-N 2 0 314.395 3.978 20 0 DHADRP CC(C)[N@H+](Cc1cccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211345626 1013234538 /nfs/dbraw/zinc/23/45/38/1013234538.db2.gz IARTWXVOQWWEJF-UHFFFAOYSA-N 2 0 300.471 3.804 20 0 DHADRP C[NH+](C)CCOCC[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000518896532 1013243092 /nfs/dbraw/zinc/24/30/92/1013243092.db2.gz OAKIJJGLIFDZRB-GOSISDBHSA-N 2 0 318.461 3.688 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000537951063 1013273926 /nfs/dbraw/zinc/27/39/26/1013273926.db2.gz XTRDBYQOBSYOMY-FPOVZHCZSA-N 2 0 314.517 3.965 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000537951064 1013274057 /nfs/dbraw/zinc/27/40/57/1013274057.db2.gz XTRDBYQOBSYOMY-PZJWPPBQSA-N 2 0 314.517 3.965 20 0 DHADRP c1c2ccccc2oc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968595 1013351932 /nfs/dbraw/zinc/35/19/32/1013351932.db2.gz SMXPTNFJYPTNCE-AYHJJNSGSA-N 2 0 310.441 3.928 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000894475283 1013382895 /nfs/dbraw/zinc/38/28/95/1013382895.db2.gz AXAOURYRKDMHMV-UHFFFAOYSA-N 2 0 311.351 3.790 20 0 DHADRP FC1(F)CC2(CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167974215 1013412954 /nfs/dbraw/zinc/41/29/54/1013412954.db2.gz RFHCKCIUWAJEHO-VHRNVKJDSA-N 2 0 310.432 3.559 20 0 DHADRP c1ccc2c(c1)CC[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167975111 1013422816 /nfs/dbraw/zinc/42/28/16/1013422816.db2.gz HPLYSLBPYYIILE-AMZGXZFVSA-N 2 0 324.512 3.787 20 0 DHADRP CC1CCC([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000236689851 1013423891 /nfs/dbraw/zinc/42/38/91/1013423891.db2.gz AYCPHYFSOLKQNC-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccnc2ccccc12 ZINC000303989241 1013511125 /nfs/dbraw/zinc/51/11/25/1013511125.db2.gz RCKUJBQCTNRCQS-UHFFFAOYSA-N 2 0 305.425 3.586 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000625281631 1013604007 /nfs/dbraw/zinc/60/40/07/1013604007.db2.gz TXJYRGRBFNQPJY-UHFFFAOYSA-N 2 0 310.869 3.599 20 0 DHADRP Cc1ccc2c(c1)[nH+]ccc2-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167988291 1013609074 /nfs/dbraw/zinc/60/90/74/1013609074.db2.gz WQFAUOCXEJTBJU-UHFFFAOYSA-N 2 0 317.392 3.694 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CS1 ZINC000655686001 1013638961 /nfs/dbraw/zinc/63/89/61/1013638961.db2.gz WSFVFWAWXNNCDT-CRAIPNDOSA-N 2 0 304.503 3.656 20 0 DHADRP C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655758648 1013694328 /nfs/dbraw/zinc/69/43/28/1013694328.db2.gz CIVWQUJNPZFRCD-KDOFPFPSSA-N 2 0 322.880 3.634 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000655804976 1013722888 /nfs/dbraw/zinc/72/28/88/1013722888.db2.gz HRHXOKPYJZXZOT-KKBFJZEXSA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000655804789 1013722996 /nfs/dbraw/zinc/72/29/96/1013722996.db2.gz BPDPBBHRWXWSOV-GRGXKFILSA-N 2 0 322.496 3.770 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc12 ZINC000655805936 1013728336 /nfs/dbraw/zinc/72/83/36/1013728336.db2.gz NTAKVKIAPHQGTQ-OAGGEKHMSA-N 2 0 312.457 3.839 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000655805550 1013723976 /nfs/dbraw/zinc/72/39/76/1013723976.db2.gz IXNINBYAVASUQO-ZOWXZIJZSA-N 2 0 310.894 3.807 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000655803801 1013727058 /nfs/dbraw/zinc/72/70/58/1013727058.db2.gz YQVPSFHQQZMPIJ-AYOQOUSVSA-N 2 0 301.478 3.633 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)ccc1Cl ZINC000655806920 1013729088 /nfs/dbraw/zinc/72/90/88/1013729088.db2.gz DSTWVMZPGGMPCP-GMXVVIOVSA-N 2 0 301.261 3.984 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000655826955 1013745299 /nfs/dbraw/zinc/74/52/99/1013745299.db2.gz JPIYECOHDMJREL-GASCZTMLSA-N 2 0 300.402 3.502 20 0 DHADRP C1CCC(OC2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000655851566 1013777522 /nfs/dbraw/zinc/77/75/22/1013777522.db2.gz XXHOGLYJZATMPV-PEVDHWGLSA-N 2 0 320.521 3.863 20 0 DHADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978603 1013788098 /nfs/dbraw/zinc/78/80/98/1013788098.db2.gz VNBFPLZERNVAPY-RBSFLKMASA-N 2 0 308.416 3.737 20 0 DHADRP c1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167995664 1013789724 /nfs/dbraw/zinc/78/97/24/1013789724.db2.gz NITYDXLASHRJEI-WMWLNJEOSA-N 2 0 311.473 3.624 20 0 DHADRP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000315752292 1013809232 /nfs/dbraw/zinc/80/92/32/1013809232.db2.gz PSMBMVWCBNAFIE-YOEHRIQHSA-N 2 0 304.478 3.921 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340464654 1013826603 /nfs/dbraw/zinc/82/66/03/1013826603.db2.gz RQQZDGQDMIAVEJ-CRAIPNDOSA-N 2 0 304.478 3.870 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000655942668 1013839001 /nfs/dbraw/zinc/83/90/01/1013839001.db2.gz WXKXGRLSONURIC-NXHRZFHOSA-N 2 0 322.880 3.509 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)c1 ZINC000340475423 1013856052 /nfs/dbraw/zinc/85/60/52/1013856052.db2.gz QVDIRFYIBKFNNU-VQIMIIECSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@]1(C)CCCO1 ZINC000340475489 1013856519 /nfs/dbraw/zinc/85/65/19/1013856519.db2.gz RWSBTZQKBAQRPR-PXNSSMCTSA-N 2 0 316.489 3.720 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000049159511 1013907434 /nfs/dbraw/zinc/90/74/34/1013907434.db2.gz KGERMLGHTBWSOT-CQSZACIVSA-N 2 0 301.459 3.771 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000340524488 1013917259 /nfs/dbraw/zinc/91/72/59/1013917259.db2.gz IGAAYGOQNNPGPL-UZLBHIALSA-N 2 0 316.489 3.727 20 0 DHADRP COc1ccc(C[C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000123346762 1013933459 /nfs/dbraw/zinc/93/34/59/1013933459.db2.gz CBUPNPUFLARXTQ-AWEZNQCLSA-N 2 0 304.478 3.525 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683765467 1013967047 /nfs/dbraw/zinc/96/70/47/1013967047.db2.gz PTMBSZWNJSFNFK-QGZVFWFLSA-N 2 0 311.473 3.979 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)s1 ZINC000045664204 1014028149 /nfs/dbraw/zinc/02/81/49/1014028149.db2.gz WEEVBSNCKHPZTO-JTQLQIEISA-N 2 0 305.285 3.503 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC001173110450 1033544623 /nfs/dbraw/zinc/54/46/23/1033544623.db2.gz SJSKQEQZLCYUFJ-UHFFFAOYSA-N 2 0 304.478 3.780 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC000656196905 1014104422 /nfs/dbraw/zinc/10/44/22/1014104422.db2.gz UCGLNJQMMAEUMZ-HKBOAZHASA-N 2 0 324.468 3.804 20 0 DHADRP Cc1ccccc1CN1CCC([NH2+]C2CC(OC(C)C)C2)CC1 ZINC000189520635 1014191984 /nfs/dbraw/zinc/19/19/84/1014191984.db2.gz HHTXVYHOWJADHO-UHFFFAOYSA-N 2 0 316.489 3.505 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000568403379 1014223767 /nfs/dbraw/zinc/22/37/67/1014223767.db2.gz WKOUQXOWQYHHAT-UHFFFAOYSA-N 2 0 319.836 3.556 20 0 DHADRP COc1ccc(Cl)cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047969038 1014246083 /nfs/dbraw/zinc/24/60/83/1014246083.db2.gz BJZXSVWGPJYXOB-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763527 1032086984 /nfs/dbraw/zinc/08/69/84/1032086984.db2.gz FDOYDBDZMXDUKV-FTRWYGJKSA-N 2 0 309.457 3.882 20 0 DHADRP CC[N@H+](CCCc1cccnc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000931271006 1032087472 /nfs/dbraw/zinc/08/74/72/1032087472.db2.gz APVCSSCSAHYNFG-UHFFFAOYSA-N 2 0 311.473 3.598 20 0 DHADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261701178 1014255129 /nfs/dbraw/zinc/25/51/29/1014255129.db2.gz JYRFUEWAYKSTEW-GUDVDZBRSA-N 2 0 309.457 3.635 20 0 DHADRP C[C@@H]1CC([NH2+][C@@H]2CC[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006657 1014421327 /nfs/dbraw/zinc/42/13/27/1014421327.db2.gz NWBZDDZEFISPAK-JOCBIADPSA-N 2 0 304.453 3.908 20 0 DHADRP CSC1(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000581038532 1014525488 /nfs/dbraw/zinc/52/54/88/1014525488.db2.gz NMJNNHCGTDVXBG-UHFFFAOYSA-N 2 0 318.530 3.726 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427839498 1014534779 /nfs/dbraw/zinc/53/47/79/1014534779.db2.gz DYTYBTYMGGZPMO-MDZRGWNJSA-N 2 0 306.469 3.857 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000665246429 1014542094 /nfs/dbraw/zinc/54/20/94/1014542094.db2.gz FMMAPWWPMCZTQQ-UHFFFAOYSA-N 2 0 309.542 3.527 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nsc2ccccc12 ZINC000665275017 1014637628 /nfs/dbraw/zinc/63/76/28/1014637628.db2.gz ASDYTWGHGLYGOW-LSDHHAIUSA-N 2 0 317.502 3.739 20 0 DHADRP CC(C)[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000665279004 1014658378 /nfs/dbraw/zinc/65/83/78/1014658378.db2.gz UKLNOXPHDMINDD-NRAUKZCXSA-N 2 0 312.379 3.744 20 0 DHADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1sccc1Br ZINC000521225581 1014664627 /nfs/dbraw/zinc/66/46/27/1014664627.db2.gz FLVMMUZWVFHRGF-UWVGGRQHSA-N 2 0 305.285 3.535 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000581269461 1014666324 /nfs/dbraw/zinc/66/63/24/1014666324.db2.gz PSWVOHXQOVIWLS-SWBPCFCJSA-N 2 0 316.464 3.767 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280747 1014669185 /nfs/dbraw/zinc/66/91/85/1014669185.db2.gz KBOYJZGNVCVCCM-IUODEOHRSA-N 2 0 318.490 3.538 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCC(C2CCC2)CC1 ZINC000665284035 1014679172 /nfs/dbraw/zinc/67/91/72/1014679172.db2.gz ZHTYYDSALVGGPH-IGEOTXOUSA-N 2 0 301.478 3.858 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C(C)(C)C ZINC000442777567 1014729925 /nfs/dbraw/zinc/72/99/25/1014729925.db2.gz GGFGKYJBWMEYQD-KUHUBIRLSA-N 2 0 313.489 3.591 20 0 DHADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000442807408 1014733416 /nfs/dbraw/zinc/73/34/16/1014733416.db2.gz DWZHABNFNLEAPG-KANFNMMFSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C(C)C ZINC000442794306 1014735012 /nfs/dbraw/zinc/73/50/12/1014735012.db2.gz RUPDHAOMPCQQPR-INIZCTEOSA-N 2 0 313.489 3.734 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cncc(C)c2)CC1)CC1CC1 ZINC000442896325 1014768799 /nfs/dbraw/zinc/76/87/99/1014768799.db2.gz LBCHJYFSOOCXBV-UHFFFAOYSA-N 2 0 315.505 3.724 20 0 DHADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000262057298 1014772290 /nfs/dbraw/zinc/77/22/90/1014772290.db2.gz DNIGSFUWERJXMO-HRCADAONSA-N 2 0 312.379 3.716 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000442929610 1014773398 /nfs/dbraw/zinc/77/33/98/1014773398.db2.gz SEAGPBPCCWXEOK-CYBMUJFWSA-N 2 0 319.449 3.510 20 0 DHADRP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000665300571 1014780814 /nfs/dbraw/zinc/78/08/14/1014780814.db2.gz FITSQFIGFVDHNL-JWTNVVGKSA-N 2 0 304.453 3.756 20 0 DHADRP Cc1ccccc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000521919558 1014830981 /nfs/dbraw/zinc/83/09/81/1014830981.db2.gz MHKSRCJUBJLMCW-UHFFFAOYSA-N 2 0 317.436 3.865 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090035279 1014899902 /nfs/dbraw/zinc/89/99/02/1014899902.db2.gz NBMBEJIACRALHK-LBTNJELSSA-N 2 0 324.896 3.736 20 0 DHADRP Cc1ccncc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000276284887 1014918086 /nfs/dbraw/zinc/91/80/86/1014918086.db2.gz URDQFJVNRQEHBS-ROUUACIJSA-N 2 0 323.484 3.636 20 0 DHADRP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022536 1015019003 /nfs/dbraw/zinc/01/90/03/1015019003.db2.gz ABHPKJQUJWEUJD-HNJRGHQBSA-N 2 0 318.505 3.569 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC000443614506 1015031797 /nfs/dbraw/zinc/03/17/97/1015031797.db2.gz KYIHPRWCWMPSDO-XWIAVFTESA-N 2 0 304.865 3.743 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2=O)C[C@H](C)N1Cc1ccccc1 ZINC001168023844 1015055895 /nfs/dbraw/zinc/05/58/95/1015055895.db2.gz YIMCJPBPCHMVML-UKBAYJJMSA-N 2 0 314.473 3.529 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2COC(C)(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168028870 1015155439 /nfs/dbraw/zinc/15/54/39/1015155439.db2.gz REVAAKAOBSZBBM-UKBAYJJMSA-N 2 0 316.489 3.585 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000684372195 1015176465 /nfs/dbraw/zinc/17/64/65/1015176465.db2.gz NRGMQRXSAXCRET-OALUTQOASA-N 2 0 304.478 3.574 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1sccc1Br ZINC000045664164 1032112797 /nfs/dbraw/zinc/11/27/97/1032112797.db2.gz OFDQLLJVMZJREV-SNVBAGLBSA-N 2 0 305.285 3.503 20 0 DHADRP c1csc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000729543668 1015227363 /nfs/dbraw/zinc/22/73/63/1015227363.db2.gz MKCAELLGQBGIDF-QGZVFWFLSA-N 2 0 306.519 3.879 20 0 DHADRP C(C[N@@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1)C1CCCC1 ZINC001279512442 1015234905 /nfs/dbraw/zinc/23/49/05/1015234905.db2.gz OHRDLIBSFHUOOG-FQEVSTJZSA-N 2 0 320.521 3.676 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3ccnc3C1)CCC2 ZINC000581726480 1015278182 /nfs/dbraw/zinc/27/81/82/1015278182.db2.gz OUTMAQKUDPVNGT-RHSMWYFYSA-N 2 0 313.470 3.587 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000634732750 1015279331 /nfs/dbraw/zinc/27/93/31/1015279331.db2.gz NWGTZXQJFIFFCG-LBPRGKRZSA-N 2 0 321.515 3.739 20 0 DHADRP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410374 1015287630 /nfs/dbraw/zinc/28/76/30/1015287630.db2.gz SPHDHGNXSDNCTG-AEFFLSMTSA-N 2 0 314.498 3.791 20 0 DHADRP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410377 1015287971 /nfs/dbraw/zinc/28/79/71/1015287971.db2.gz SPHDHGNXSDNCTG-WMZOPIPTSA-N 2 0 314.498 3.791 20 0 DHADRP CC(C)[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000474404906 1015331041 /nfs/dbraw/zinc/33/10/41/1015331041.db2.gz ZNPGLYGRIQFNCI-SLFFLAALSA-N 2 0 300.490 3.842 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000474469022 1015375797 /nfs/dbraw/zinc/37/57/97/1015375797.db2.gz GGNVLVNZYBQMHK-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474462950 1015379780 /nfs/dbraw/zinc/37/97/80/1015379780.db2.gz WUHQVHMARWHNRN-PMACEKPBSA-N 2 0 323.569 3.599 20 0 DHADRP COc1ccc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000261758626 1015388634 /nfs/dbraw/zinc/38/86/34/1015388634.db2.gz VNEZUJFPMUTQOD-OAQYLSRUSA-N 2 0 324.468 3.812 20 0 DHADRP CN(CCCC[NH+]1CCCCC1)Cc1nc(C(C)(C)C)co1 ZINC000896028644 1015419576 /nfs/dbraw/zinc/41/95/76/1015419576.db2.gz UEVGNECHSDQXAD-UHFFFAOYSA-N 2 0 307.482 3.670 20 0 DHADRP CCc1nc(C)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000428298769 1015422573 /nfs/dbraw/zinc/42/25/73/1015422573.db2.gz IWEYQZODHPZTOL-UHFFFAOYSA-N 2 0 319.493 3.633 20 0 DHADRP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449274084 1015432331 /nfs/dbraw/zinc/43/23/31/1015432331.db2.gz AQTMOEDHRIRWNL-IAGOWNOFSA-N 2 0 310.526 3.823 20 0 DHADRP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449274086 1015432369 /nfs/dbraw/zinc/43/23/69/1015432369.db2.gz AQTMOEDHRIRWNL-SJORKVTESA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCCCC1 ZINC000474597424 1015473551 /nfs/dbraw/zinc/47/35/51/1015473551.db2.gz HGYRIGMOWDJCLK-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474616465 1015494487 /nfs/dbraw/zinc/49/44/87/1015494487.db2.gz JFAFRFZKRFQIAY-FVCCEPFGSA-N 2 0 300.899 3.823 20 0 DHADRP C[C@@H]1C[C@@H](N(C)Cc2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039316 1015495875 /nfs/dbraw/zinc/49/58/75/1015495875.db2.gz CXEWEUAXHCNOQR-RMFSNUHRSA-N 2 0 323.484 3.955 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000474619604 1015503113 /nfs/dbraw/zinc/50/31/13/1015503113.db2.gz RKDJIAVIKXTBHX-CQSZACIVSA-N 2 0 316.411 3.958 20 0 DHADRP COC[C@@H]1CCC[N@@H+]1C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168040456 1015540349 /nfs/dbraw/zinc/54/03/49/1015540349.db2.gz MYCJIBDXQBHNBY-LNLFQRSKSA-N 2 0 316.489 3.539 20 0 DHADRP CSC1(C[NH2+]CCc2ccc(C(C)C)cc2)CC[NH+](C)CC1 ZINC000581926459 1015555630 /nfs/dbraw/zinc/55/56/30/1015555630.db2.gz NICOXDIDILQOKN-UHFFFAOYSA-N 2 0 320.546 3.770 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000130539165 1015588280 /nfs/dbraw/zinc/58/82/80/1015588280.db2.gz GDKOJBDYGQWVEA-WFASDCNBSA-N 2 0 310.532 3.995 20 0 DHADRP CC(C)[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000479083040 1033645745 /nfs/dbraw/zinc/64/57/45/1033645745.db2.gz UJIPQXIWZLTFJB-SFHVURJKSA-N 2 0 310.432 3.983 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000158257996 1015679687 /nfs/dbraw/zinc/67/96/87/1015679687.db2.gz MYCPRKOLCAZQFE-STQMWFEESA-N 2 0 316.367 3.578 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000684556843 1015731973 /nfs/dbraw/zinc/73/19/73/1015731973.db2.gz CKTWNHGVCVLDNM-PXNSSMCTSA-N 2 0 323.484 3.871 20 0 DHADRP C[NH+](C)[C@@H](CNc1cc[nH+]c2c(O)cccc12)c1ccsc1 ZINC000684568115 1015760567 /nfs/dbraw/zinc/76/05/67/1015760567.db2.gz DSUGCZQPSXOYRR-HNNXBMFYSA-N 2 0 313.426 3.717 20 0 DHADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCn1ccnc1C ZINC000342028949 1015875037 /nfs/dbraw/zinc/87/50/37/1015875037.db2.gz SMLDUWWYHIZQBS-JLHYYAGUSA-N 2 0 323.362 3.903 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000684614045 1015910545 /nfs/dbraw/zinc/91/05/45/1015910545.db2.gz QRHIWKUTBNXVOW-ZDUSSCGKSA-N 2 0 315.288 3.857 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc(C4CCCCC4)n3)C[C@@H]21 ZINC000342092725 1015952386 /nfs/dbraw/zinc/95/23/86/1015952386.db2.gz VWODUAWKRPXMLG-BHYGNILZSA-N 2 0 319.518 3.750 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277175736 1016009032 /nfs/dbraw/zinc/00/90/32/1016009032.db2.gz KWUGKMHMKFHRNK-DZGCQCFKSA-N 2 0 312.404 3.765 20 0 DHADRP C(CC[NH+]1CCOCC1)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342187860 1016114391 /nfs/dbraw/zinc/11/43/91/1016114391.db2.gz SFELBKDXTMPXNL-UHFFFAOYSA-N 2 0 308.510 3.582 20 0 DHADRP CC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657292497 1016210408 /nfs/dbraw/zinc/21/04/08/1016210408.db2.gz OZTFQPIBAJYBJH-INIZCTEOSA-N 2 0 306.413 3.551 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(F)F)c(F)c2)[C@@H](C)C1 ZINC000892104367 1016229737 /nfs/dbraw/zinc/22/97/37/1016229737.db2.gz BZVABHSIOQFEIQ-LRDDRELGSA-N 2 0 314.395 3.925 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)cc(Cl)c1)CC2 ZINC001140542597 1016302261 /nfs/dbraw/zinc/30/22/61/1016302261.db2.gz PDTHERUNNRCGSF-UHFFFAOYSA-N 2 0 310.844 3.787 20 0 DHADRP C[C@@H](C[NH2+]Cc1cc2ccncc2s1)C[NH+]1CCCCC1 ZINC000657316572 1016319260 /nfs/dbraw/zinc/31/92/60/1016319260.db2.gz HVKORQCIWDZFTC-AWEZNQCLSA-N 2 0 303.475 3.508 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000346640327 1016493287 /nfs/dbraw/zinc/49/32/87/1016493287.db2.gz BBXQTNNFPCBZBD-UHFFFAOYSA-N 2 0 307.507 3.622 20 0 DHADRP CSc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC000629694517 1016526916 /nfs/dbraw/zinc/52/69/16/1016526916.db2.gz WQGJVMIZIBOWMA-UHFFFAOYSA-N 2 0 312.482 3.999 20 0 DHADRP COc1ccc(CC(C)(C)C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC001168305790 1032148248 /nfs/dbraw/zinc/14/82/48/1032148248.db2.gz NCRSQTJTHFHITL-UHFFFAOYSA-N 2 0 318.505 3.726 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152376943 1016575326 /nfs/dbraw/zinc/57/53/26/1016575326.db2.gz HCMBQCIZDYVTGR-CXAGYDPISA-N 2 0 320.864 3.628 20 0 DHADRP CO[C@H](c1ccc(-c2ccc(C[NH+](C)C)c(F)c2)cc1)[C@@H](C)[NH3+] ZINC000629708476 1016583962 /nfs/dbraw/zinc/58/39/62/1016583962.db2.gz HSFCTORSIVGSSN-YJYMSZOUSA-N 2 0 316.420 3.589 20 0 DHADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C[C@@H]12 ZINC000346846663 1016593200 /nfs/dbraw/zinc/59/32/00/1016593200.db2.gz BQILXBNRXQYLQX-FRFSOERESA-N 2 0 316.445 3.723 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000346878714 1016621565 /nfs/dbraw/zinc/62/15/65/1016621565.db2.gz MCSHWBSLERUTRH-CRAIPNDOSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@@H]([NH3+])c1ccc(-c2ccc(C[NH3+])c(C(F)(F)F)c2)cc1F ZINC000629737865 1016634185 /nfs/dbraw/zinc/63/41/85/1016634185.db2.gz NPEZPLCBAPKWPN-SECBINFHSA-N 2 0 312.310 3.990 20 0 DHADRP CCOc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000657414244 1016687985 /nfs/dbraw/zinc/68/79/85/1016687985.db2.gz LUNGGTIBNJCWPU-UHFFFAOYSA-N 2 0 304.478 3.604 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000582413086 1016721558 /nfs/dbraw/zinc/72/15/58/1016721558.db2.gz XKKXFJKXDNKGQI-UYAOXDASSA-N 2 0 316.489 3.638 20 0 DHADRP C[N@H+](Cc1ccc(F)c(-c2cccs2)c1)C1CC[NH2+]CC1 ZINC000347103304 1016743559 /nfs/dbraw/zinc/74/35/59/1016743559.db2.gz MKDFLCMMJXVTNH-UHFFFAOYSA-N 2 0 304.434 3.738 20 0 DHADRP CCCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C)c1 ZINC000657429699 1016754447 /nfs/dbraw/zinc/75/44/47/1016754447.db2.gz ISHMMFHPJZRLDM-UHFFFAOYSA-N 2 0 304.478 3.605 20 0 DHADRP CCc1[nH+]c2ccccc2c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000684888200 1016812734 /nfs/dbraw/zinc/81/27/34/1016812734.db2.gz KWLGCNVFPDMLOB-HZPDHXFCSA-N 2 0 309.457 3.566 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954434 1016835039 /nfs/dbraw/zinc/83/50/39/1016835039.db2.gz MHGFXGUNECBGKW-VQIMIIECSA-N 2 0 322.468 3.615 20 0 DHADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000657449580 1016876039 /nfs/dbraw/zinc/87/60/39/1016876039.db2.gz BFADDSOJPDRJQM-UHFFFAOYSA-N 2 0 316.489 3.748 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185357882 1016877350 /nfs/dbraw/zinc/87/73/50/1016877350.db2.gz NJEJUAPDWWIVTB-UONOGXRCSA-N 2 0 310.869 3.817 20 0 DHADRP c1cc(C[NH2+]CC2CC(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657464245 1016921110 /nfs/dbraw/zinc/92/11/10/1016921110.db2.gz QUHFWAFKKYAHHV-UHFFFAOYSA-N 2 0 318.424 3.551 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(OC(C)C)c(C)c2)C1 ZINC001205015768 1016926470 /nfs/dbraw/zinc/92/64/70/1016926470.db2.gz FKTWNTZHJQKBFW-KRWDZBQOSA-N 2 0 304.478 3.522 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000475072011 1016929273 /nfs/dbraw/zinc/92/92/73/1016929273.db2.gz XNFCPKQNQWGJNV-HOJAQTOUSA-N 2 0 322.537 3.514 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000475072013 1016929742 /nfs/dbraw/zinc/92/97/42/1016929742.db2.gz XNFCPKQNQWGJNV-RLLQIKCJSA-N 2 0 322.537 3.514 20 0 DHADRP FC1(F)CCCC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657472742 1016951524 /nfs/dbraw/zinc/95/15/24/1016951524.db2.gz RMYJJBNSEMQMJP-CQSZACIVSA-N 2 0 320.387 3.573 20 0 DHADRP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623335886 1016964239 /nfs/dbraw/zinc/96/42/39/1016964239.db2.gz KGJZKVBFUXQKCA-MOPGFXCFSA-N 2 0 317.521 3.532 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc2c(c1)CCCO2 ZINC000840778505 1016966868 /nfs/dbraw/zinc/96/68/68/1016966868.db2.gz JLYRKFDGUAJCFS-IBGZPJMESA-N 2 0 321.424 3.900 20 0 DHADRP Fc1cccc2c1CCC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657477635 1016969600 /nfs/dbraw/zinc/96/96/00/1016969600.db2.gz YFBAUXZQWGUBCJ-LJQANCHMSA-N 2 0 322.387 3.574 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CC1(C)C ZINC000623376255 1017002046 /nfs/dbraw/zinc/00/20/46/1017002046.db2.gz MBHVSHRYLALUDK-CEXWTWQISA-N 2 0 316.489 3.617 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2c(C)cccc2C)C[C@@H]1C ZINC001167589889 1017041504 /nfs/dbraw/zinc/04/15/04/1017041504.db2.gz JPOZMWFXNWHTRT-OALUTQOASA-N 2 0 318.505 3.877 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435720 1017046978 /nfs/dbraw/zinc/04/69/78/1017046978.db2.gz PWQWPJMAPXILJN-ZFWWWQNUSA-N 2 0 310.869 3.570 20 0 DHADRP COc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623439703 1017047838 /nfs/dbraw/zinc/04/78/38/1017047838.db2.gz VIKQFRLJGDIPMP-MSOLQXFVSA-N 2 0 318.505 3.725 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000623442670 1017050409 /nfs/dbraw/zinc/05/04/09/1017050409.db2.gz YLMHQFUHFHZNGT-IHRRRGAJSA-N 2 0 306.416 3.818 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440827 1017048190 /nfs/dbraw/zinc/04/81/90/1017048190.db2.gz MODUMLIHXMVZDG-IAGOWNOFSA-N 2 0 304.478 3.615 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000361931627 1032160127 /nfs/dbraw/zinc/16/01/27/1032160127.db2.gz XJHNONCVIXIWHP-DLBZAZTESA-N 2 0 312.885 3.738 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC)c(OC)c1 ZINC000361972483 1032178248 /nfs/dbraw/zinc/17/82/48/1032178248.db2.gz RBYIGNLRUPSVEW-BBWFWOEESA-N 2 0 320.477 3.617 20 0 DHADRP CC[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657537760 1017230326 /nfs/dbraw/zinc/23/03/26/1017230326.db2.gz SEWLJXUZTMDGIW-IEBWSBKVSA-N 2 0 322.537 3.826 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001168311991 1032203132 /nfs/dbraw/zinc/20/31/32/1032203132.db2.gz GZFKZFBNXXSBBR-DQPZFDDXSA-N 2 0 307.869 3.649 20 0 DHADRP C[NH+](C)C1CCC(n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001168312333 1032207572 /nfs/dbraw/zinc/20/75/72/1032207572.db2.gz QGLBBOQAACMHBJ-UHFFFAOYSA-N 2 0 319.880 3.841 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1 ZINC001168312410 1032208667 /nfs/dbraw/zinc/20/86/67/1032208667.db2.gz VJDRFVKAWJLOPM-XUJLQICISA-N 2 0 307.869 3.649 20 0 DHADRP COc1cccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)c1 ZINC001168312486 1032210467 /nfs/dbraw/zinc/21/04/67/1032210467.db2.gz ZONMTOYNVWYMAZ-FAFZWHIHSA-N 2 0 302.462 3.609 20 0 DHADRP CC[N@H+](Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246838701 1032215236 /nfs/dbraw/zinc/21/52/36/1032215236.db2.gz DZEVBAPDRRRVAK-MUJYYYPQSA-N 2 0 323.278 3.554 20 0 DHADRP CC[N@H+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246838702 1032216202 /nfs/dbraw/zinc/21/62/02/1032216202.db2.gz DZEVBAPDRRRVAK-ZSHCYNCHSA-N 2 0 323.278 3.554 20 0 DHADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCCCC(F)(F)F)CC2)C1CC1 ZINC000362107235 1032234954 /nfs/dbraw/zinc/23/49/54/1032234954.db2.gz UIZJAABGFWVINY-AWEZNQCLSA-N 2 0 318.427 3.915 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283857 1032240224 /nfs/dbraw/zinc/24/02/24/1032240224.db2.gz JSOWEZUWTHWIEA-CQSZACIVSA-N 2 0 324.896 3.527 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000118956088 1032256199 /nfs/dbraw/zinc/25/61/99/1032256199.db2.gz DJOZEVIJLPFHOR-RHSMWYFYSA-N 2 0 308.897 3.981 20 0 DHADRP COc1ccc(C2=CC[N@@H+](C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168328844 1032300622 /nfs/dbraw/zinc/30/06/22/1032300622.db2.gz LDDRPYWWFLCYPR-UHFFFAOYSA-N 2 0 314.473 3.657 20 0 DHADRP Cc1ccc(OC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1C ZINC000089426250 1032340909 /nfs/dbraw/zinc/34/09/09/1032340909.db2.gz BVXGRNXUTUYTMM-SFHVURJKSA-N 2 0 316.489 3.631 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179635187 1017277528 /nfs/dbraw/zinc/27/75/28/1017277528.db2.gz MWNCDKMTKMIANL-GOSISDBHSA-N 2 0 324.468 3.746 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171336536 1032433740 /nfs/dbraw/zinc/43/37/40/1032433740.db2.gz HMTSRBNOPXLBLG-QGZVFWFLSA-N 2 0 322.443 3.534 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684953106 1017081135 /nfs/dbraw/zinc/08/11/35/1017081135.db2.gz IIEOJEHDFCMAME-AEFFLSMTSA-N 2 0 301.478 3.561 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000475214607 1017085849 /nfs/dbraw/zinc/08/58/49/1017085849.db2.gz JKLMFFTVDRKWOZ-ZFWWWQNUSA-N 2 0 300.437 3.664 20 0 DHADRP FC(F)C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000475216897 1017086682 /nfs/dbraw/zinc/08/66/82/1017086682.db2.gz VABBEHPNMQXDNX-GVDBMIGSSA-N 2 0 320.427 3.532 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348098603 1032460799 /nfs/dbraw/zinc/46/07/99/1032460799.db2.gz UHBMVMUQJHSSKP-MBOZVWFJSA-N 2 0 312.457 3.711 20 0 DHADRP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066074 1032472480 /nfs/dbraw/zinc/47/24/80/1032472480.db2.gz RHWPGUXHIXEXTH-YLJYHZDGSA-N 2 0 314.473 3.534 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623547055 1017095748 /nfs/dbraw/zinc/09/57/48/1017095748.db2.gz FYIBXHPVXOAQQE-NSHDSACASA-N 2 0 306.397 3.588 20 0 DHADRP Fc1cc(F)c2c(c1)C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001171349274 1032508903 /nfs/dbraw/zinc/50/89/03/1032508903.db2.gz HMTVPNZCOVMAJL-KRWDZBQOSA-N 2 0 322.443 3.678 20 0 DHADRP C[N@@H+](Cc1cnc(C2CCCC2)s1)CC1CC[NH+](C)CC1 ZINC000093088791 1032523207 /nfs/dbraw/zinc/52/32/07/1032523207.db2.gz YILHXQTWQZQXBP-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000773082485 1032550419 /nfs/dbraw/zinc/55/04/19/1032550419.db2.gz WJTUICQNSUAINC-LJQANCHMSA-N 2 0 320.521 3.722 20 0 DHADRP CC(C)c1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)s1 ZINC000093688366 1032552156 /nfs/dbraw/zinc/55/21/56/1032552156.db2.gz GUALOJDMLSPXIW-UHFFFAOYSA-N 2 0 309.523 3.820 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000773081530 1032553227 /nfs/dbraw/zinc/55/32/27/1032553227.db2.gz CXSZTTHXWPSVQZ-MOPGFXCFSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)Oc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000537647756 1032581537 /nfs/dbraw/zinc/58/15/37/1032581537.db2.gz HNBTXDWJLYEPGK-IBGZPJMESA-N 2 0 316.489 3.782 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171400054 1032586317 /nfs/dbraw/zinc/58/63/17/1032586317.db2.gz CBRTXEZZPPJSHX-WBVHZDCISA-N 2 0 304.453 3.537 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171400052 1032587125 /nfs/dbraw/zinc/58/71/25/1032587125.db2.gz CBRTXEZZPPJSHX-NVXWUHKLSA-N 2 0 304.453 3.537 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[NH+](Cc1cnco1)CC2 ZINC001279334270 1011897504 /nfs/dbraw/zinc/89/75/04/1011897504.db2.gz GKTWSBPZLIVSRW-QGZVFWFLSA-N 2 0 319.493 3.789 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171401272 1032589433 /nfs/dbraw/zinc/58/94/33/1032589433.db2.gz LFODZCVUHOIJMV-RDJZCZTQSA-N 2 0 306.469 3.783 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1CCCc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424302287 1011962782 /nfs/dbraw/zinc/96/27/82/1011962782.db2.gz ZDMPUUSYCJIFMD-HNNXBMFYSA-N 2 0 306.881 3.737 20 0 DHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424313196 1011973152 /nfs/dbraw/zinc/97/31/52/1011973152.db2.gz NHMCTMXTBXAQEU-UXHICEINSA-N 2 0 322.537 3.562 20 0 DHADRP CC[C@H]1C[N@H+](CCCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647936402 1012026820 /nfs/dbraw/zinc/02/68/20/1012026820.db2.gz DBGDEUZCAFFWEI-QFBILLFUSA-N 2 0 312.457 3.668 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)C[C@@](C)(C[NH3+])C1 ZINC001171405424 1032595995 /nfs/dbraw/zinc/59/59/95/1032595995.db2.gz UTAGLTNYGUNOOM-TWOQFEAHSA-N 2 0 318.480 3.816 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546518 1012090760 /nfs/dbraw/zinc/09/07/60/1012090760.db2.gz PWIUQUVNIQKSTG-MAUKXSAKSA-N 2 0 324.472 3.506 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1 ZINC000643546220 1012093876 /nfs/dbraw/zinc/09/38/76/1012093876.db2.gz KJQHVHPYVSRIEJ-SWLSCSKDSA-N 2 0 323.278 3.774 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C(C)C)cc1 ZINC000643548621 1012120596 /nfs/dbraw/zinc/12/05/96/1012120596.db2.gz RZQCERGFLWXEFD-SJLPKXTDSA-N 2 0 302.462 3.657 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953553 1032603637 /nfs/dbraw/zinc/60/36/37/1032603637.db2.gz BBOYVWFMYDAFOQ-BHYGNILZSA-N 2 0 304.865 3.708 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954539 1032606578 /nfs/dbraw/zinc/60/65/78/1032606578.db2.gz XOQANNMVAGNILZ-GVDBMIGSSA-N 2 0 304.865 3.708 20 0 DHADRP CO[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000513896984 1012218480 /nfs/dbraw/zinc/21/84/80/1012218480.db2.gz IPDYKKFSEZNOSI-GOSISDBHSA-N 2 0 324.896 3.691 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411619 1032613208 /nfs/dbraw/zinc/61/32/08/1032613208.db2.gz KLYSPMGAWGHUKX-QGZVFWFLSA-N 2 0 318.480 3.783 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+]([C@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167956460 1012339445 /nfs/dbraw/zinc/33/94/45/1012339445.db2.gz QIWMOYXNLBSXKI-BQJUDKOJSA-N 2 0 310.485 3.773 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCO1 ZINC000648483924 1012411859 /nfs/dbraw/zinc/41/18/59/1012411859.db2.gz OGXSYLQDTFAEAT-JWHDQAAXSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cn1 ZINC000092742849 1012453641 /nfs/dbraw/zinc/45/36/41/1012453641.db2.gz GJXOTJCQKHNOGE-OAHLLOKOSA-N 2 0 319.468 3.916 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171419850 1032631913 /nfs/dbraw/zinc/63/19/13/1032631913.db2.gz VOWYLLYLBWSDOV-NVXWUHKLSA-N 2 0 304.453 3.524 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000179498332 1012690321 /nfs/dbraw/zinc/69/03/21/1012690321.db2.gz PBMMIULCSHDUNZ-SFHVURJKSA-N 2 0 301.409 3.730 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC001202750374 1032654216 /nfs/dbraw/zinc/65/42/16/1032654216.db2.gz RQQNJKIWULUNOZ-KRWDZBQOSA-N 2 0 316.489 3.830 20 0 DHADRP Cc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961493 1012783559 /nfs/dbraw/zinc/78/35/59/1012783559.db2.gz MAWFISPETHRDJI-YQQQUEKLSA-N 2 0 302.437 3.629 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638358738 1012816567 /nfs/dbraw/zinc/81/65/67/1012816567.db2.gz BKXKOIWVXAAEOR-WOJBJXKFSA-N 2 0 321.553 3.519 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000516917880 1012865146 /nfs/dbraw/zinc/86/51/46/1012865146.db2.gz SAVCTYQZEMOQIX-OALUTQOASA-N 2 0 316.489 3.554 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000517046450 1012897342 /nfs/dbraw/zinc/89/73/42/1012897342.db2.gz VNFPCHYFYOIJTR-HOJAQTOUSA-N 2 0 311.473 3.563 20 0 DHADRP C[N@H+](CCCOc1cccc(Cl)c1)CCC[NH+]1CCCCC1 ZINC001167094703 1012931424 /nfs/dbraw/zinc/93/14/24/1012931424.db2.gz ZFHCBYQLPNGYET-UHFFFAOYSA-N 2 0 324.896 3.917 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C)C[NH+](C)C)cc1F ZINC000425954679 1013010021 /nfs/dbraw/zinc/01/00/21/1013010021.db2.gz WOSYGIVPTCOKQH-HFTRVMKXSA-N 2 0 322.468 3.648 20 0 DHADRP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1Cl ZINC000623574929 1017118682 /nfs/dbraw/zinc/11/86/82/1017118682.db2.gz BBZQXIMJDFBDQO-MRXNPFEDSA-N 2 0 322.880 3.560 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177912086 1017146787 /nfs/dbraw/zinc/14/67/87/1017146787.db2.gz FPWVDXWXURHCFU-GPMSIDNRSA-N 2 0 312.457 3.537 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000178047576 1017151864 /nfs/dbraw/zinc/15/18/64/1017151864.db2.gz ZJXPMFONGCVSGN-JKIFEVAISA-N 2 0 302.487 3.762 20 0 DHADRP C[N@@H+]1CCCC[C@@H](CNCc2ccc(C(F)(F)F)s2)C1 ZINC000623657745 1017154425 /nfs/dbraw/zinc/15/44/25/1017154425.db2.gz XUZRQECCRBRCIR-NSHDSACASA-N 2 0 306.397 3.588 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000623657139 1017154703 /nfs/dbraw/zinc/15/47/03/1017154703.db2.gz KKKBCLMXFQCNKY-GOSISDBHSA-N 2 0 309.457 3.570 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000178169181 1017166855 /nfs/dbraw/zinc/16/68/55/1017166855.db2.gz ONUCRDFUCAITKB-CKEIUWERSA-N 2 0 310.482 3.626 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000623679329 1017168836 /nfs/dbraw/zinc/16/88/36/1017168836.db2.gz RSLCJESOFTWGAO-AKHDSKFASA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@@H]1COCCN1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063273 1017192807 /nfs/dbraw/zinc/19/28/07/1017192807.db2.gz MOUAUPFXSBCAGT-JENIJYKNSA-N 2 0 316.489 3.539 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC001167601749 1017200592 /nfs/dbraw/zinc/20/05/92/1017200592.db2.gz GDUKWDFTLXNZHO-ZWKOTPCHSA-N 2 0 310.526 3.636 20 0 DHADRP CC1(C)CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657537392 1017224787 /nfs/dbraw/zinc/22/47/87/1017224787.db2.gz JREMDLNLYFVSJQ-GOSISDBHSA-N 2 0 322.537 3.826 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000716329570 1032695743 /nfs/dbraw/zinc/69/57/43/1032695743.db2.gz RCZWZOHVTMHXSX-MGPQQGTHSA-N 2 0 313.272 3.514 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000180235277 1017399620 /nfs/dbraw/zinc/39/96/20/1017399620.db2.gz DPEHSASFBGAWCD-SFHVURJKSA-N 2 0 308.469 3.750 20 0 DHADRP Cc1ccoc1CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716642274 1032698242 /nfs/dbraw/zinc/69/82/42/1032698242.db2.gz AIIZSPNMUMXRCY-OTWHNJEPSA-N 2 0 310.441 3.731 20 0 DHADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685981 1032702693 /nfs/dbraw/zinc/70/26/93/1032702693.db2.gz YSIQMEAUYNBDOL-GBBGEASQSA-N 2 0 316.514 3.523 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1F ZINC000342823262 1017490443 /nfs/dbraw/zinc/49/04/43/1017490443.db2.gz VYORNMOFCPXLDK-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(N2CCCC2)c1 ZINC000339076126 1017530473 /nfs/dbraw/zinc/53/04/73/1017530473.db2.gz SXAUSAKCNWNOLM-QRFRQXIXSA-N 2 0 313.489 3.564 20 0 DHADRP CC[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613142 1017574776 /nfs/dbraw/zinc/57/47/76/1017574776.db2.gz WRMMIOKKXIIOCZ-FXAWDEMLSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613849 1017583650 /nfs/dbraw/zinc/58/36/50/1017583650.db2.gz TYVYUHNXFNOKTN-YLJYHZDGSA-N 2 0 315.505 3.710 20 0 DHADRP c1ccc(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000444624138 1017599118 /nfs/dbraw/zinc/59/91/18/1017599118.db2.gz KYNCAHLABJRRRV-FQEVSTJZSA-N 2 0 300.490 3.817 20 0 DHADRP CC(C)(F)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000657645789 1017648592 /nfs/dbraw/zinc/64/85/92/1017648592.db2.gz ILCRTYYIAADYPJ-QGZVFWFLSA-N 2 0 304.453 3.911 20 0 DHADRP CCC[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000624049828 1017659183 /nfs/dbraw/zinc/65/91/83/1017659183.db2.gz QTNVTWPOOBPBAW-YZGWKJHDSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454596 1032714638 /nfs/dbraw/zinc/71/46/38/1032714638.db2.gz VJIJJSIUHTXPCM-RHSMWYFYSA-N 2 0 322.443 3.676 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000657658206 1017683227 /nfs/dbraw/zinc/68/32/27/1017683227.db2.gz WACMLUWNNWNLEX-DYXWJJEUSA-N 2 0 312.501 3.719 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000624120455 1017691368 /nfs/dbraw/zinc/69/13/68/1017691368.db2.gz ZNCHVWLLTTYABJ-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124213 1017698892 /nfs/dbraw/zinc/69/88/92/1017698892.db2.gz ZXNAPRGNLLIMCJ-DNVCBOLYSA-N 2 0 311.473 3.867 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124214 1017699241 /nfs/dbraw/zinc/69/92/41/1017699241.db2.gz ZXNAPRGNLLIMCJ-HNAYVOBHSA-N 2 0 311.473 3.867 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000624146579 1017712095 /nfs/dbraw/zinc/71/20/95/1017712095.db2.gz CJHVNDICSOMJSC-LASHMREHSA-N 2 0 322.537 3.823 20 0 DHADRP FC(F)(F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354187654 1017739408 /nfs/dbraw/zinc/73/94/08/1017739408.db2.gz KMFWTCAEHMTBQM-MQVJKMGUSA-N 2 0 312.379 3.724 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171462849 1032723522 /nfs/dbraw/zinc/72/35/22/1032723522.db2.gz KNEHJRPDGOKGDQ-QGZVFWFLSA-N 2 0 322.443 3.532 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(Cl)c1 ZINC000090956482 1017834586 /nfs/dbraw/zinc/83/45/86/1017834586.db2.gz SEFOEBTVBUMFQR-LSDHHAIUSA-N 2 0 322.855 3.727 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)C1CC[NH+](C)CC1 ZINC000090956525 1017836091 /nfs/dbraw/zinc/83/60/91/1017836091.db2.gz GPCZEWKCWLIRMC-CYBMUJFWSA-N 2 0 324.871 3.831 20 0 DHADRP Cc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000231133263 1018019796 /nfs/dbraw/zinc/01/97/96/1018019796.db2.gz DRXICIGRPMSOSR-UHFFFAOYSA-N 2 0 312.457 3.567 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCC[C@H]1C ZINC000658069813 1018025891 /nfs/dbraw/zinc/02/58/91/1018025891.db2.gz ISZIPCRFXYPRIH-HLIPFELVSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCCCC1 ZINC000658068826 1018026056 /nfs/dbraw/zinc/02/60/56/1018026056.db2.gz AEEZIIVYPXPRMG-KRWDZBQOSA-N 2 0 322.537 3.826 20 0 DHADRP Oc1ccc2c(c1)CN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000625728415 1018031511 /nfs/dbraw/zinc/03/15/11/1018031511.db2.gz ORKMCRDOVFXNEW-UHFFFAOYSA-N 2 0 322.452 3.894 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(OC)cc1 ZINC000123642690 1018096269 /nfs/dbraw/zinc/09/62/69/1018096269.db2.gz RQDOGGUVQSUGCT-HXUWFJFHSA-N 2 0 312.457 3.998 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOC(C)(C)C)C1 ZINC000674907630 1018189198 /nfs/dbraw/zinc/18/91/98/1018189198.db2.gz DZPYIGCBUVCTMO-ZWKOTPCHSA-N 2 0 310.526 3.778 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000040621166 1018219519 /nfs/dbraw/zinc/21/95/19/1018219519.db2.gz PWRYHUQOOQKDMW-AWEZNQCLSA-N 2 0 300.368 3.525 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000446808665 1018257790 /nfs/dbraw/zinc/25/77/90/1018257790.db2.gz MOAAODBNUAHAGW-OAHLLOKOSA-N 2 0 300.421 3.781 20 0 DHADRP C[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1(F)F ZINC000658216255 1018285907 /nfs/dbraw/zinc/28/59/07/1018285907.db2.gz ATTSJXXRPPKRGA-MHORFTMASA-N 2 0 320.427 3.817 20 0 DHADRP CC(C)(C)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446886401 1018288947 /nfs/dbraw/zinc/28/89/47/1018288947.db2.gz GGFWFGMWLUEQDP-UHFFFAOYSA-N 2 0 300.490 3.948 20 0 DHADRP CSC1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000381946715 1018289324 /nfs/dbraw/zinc/28/93/24/1018289324.db2.gz ZGQUTCSKHBXAMB-AEFFLSMTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658219483 1018289927 /nfs/dbraw/zinc/28/99/27/1018289927.db2.gz ITMWDMOPCJCODX-RYQLBKOJSA-N 2 0 322.443 3.922 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152469720 1032758745 /nfs/dbraw/zinc/75/87/45/1032758745.db2.gz FAOQZRNFPDXHKG-LRDDRELGSA-N 2 0 322.905 3.951 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C12CCCCC2 ZINC000447568352 1018416214 /nfs/dbraw/zinc/41/62/14/1018416214.db2.gz JFDCEUMEBKYWKP-RTBURBONSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cnc2ccsc2c1 ZINC000447568082 1018417799 /nfs/dbraw/zinc/41/77/99/1018417799.db2.gz HFIWUIIENIEHLC-ZDUSSCGKSA-N 2 0 315.486 3.821 20 0 DHADRP COc1ccc2cc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)ccc2c1 ZINC000858090003 1032763147 /nfs/dbraw/zinc/76/31/47/1032763147.db2.gz HRGJGJKHAYVULY-SFHVURJKSA-N 2 0 312.457 3.811 20 0 DHADRP C[C@H]([NH2+]CCCCCC[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000843340845 1018487300 /nfs/dbraw/zinc/48/73/00/1018487300.db2.gz FYHVSMNJGHPDES-JTQLQIEISA-N 2 0 304.265 3.745 20 0 DHADRP Fc1ccc([C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000635007375 1018507385 /nfs/dbraw/zinc/50/73/85/1018507385.db2.gz CXLBYETUMSVWRY-FQEVSTJZSA-N 2 0 310.416 3.712 20 0 DHADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(F)cc1OC(F)F ZINC000843343273 1018511220 /nfs/dbraw/zinc/51/12/20/1018511220.db2.gz YQQLJYUMTGVQKI-LLVKDONJSA-N 2 0 304.356 3.597 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cn1 ZINC000658352943 1018511885 /nfs/dbraw/zinc/51/18/85/1018511885.db2.gz AMPVGKHSSAKAMI-ZDUSSCGKSA-N 2 0 307.869 3.508 20 0 DHADRP Cc1ccc([C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000635013263 1018516433 /nfs/dbraw/zinc/51/64/33/1018516433.db2.gz ZQWLLSBGWXJJPB-NRFANRHFSA-N 2 0 306.453 3.882 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCC3CCCCC3)C2)C1 ZINC000650708675 1018530977 /nfs/dbraw/zinc/53/09/77/1018530977.db2.gz IQQCTAJCRMFWLC-OTWHNJEPSA-N 2 0 308.510 3.565 20 0 DHADRP CC[C@H](OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710529 1018533100 /nfs/dbraw/zinc/53/31/00/1018533100.db2.gz QSNIHGKPJAGYNA-ZRNYENFQSA-N 2 0 316.489 3.665 20 0 DHADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527239159 1018535339 /nfs/dbraw/zinc/53/53/39/1018535339.db2.gz QRABBTCRYQWCLR-LPHOPBHVSA-N 2 0 314.498 3.791 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@@H]1CC[NH3+] ZINC000650711249 1018538270 /nfs/dbraw/zinc/53/82/70/1018538270.db2.gz NCZFNXWEUBDJQX-RHSMWYFYSA-N 2 0 315.486 3.759 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c(F)c1 ZINC000650716583 1018554720 /nfs/dbraw/zinc/55/47/20/1018554720.db2.gz CIHCAQZSOUYLNU-UHFFFAOYSA-N 2 0 318.339 3.655 20 0 DHADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000527350086 1018555071 /nfs/dbraw/zinc/55/50/71/1018555071.db2.gz HNTJCSATLMMSMA-OAHLLOKOSA-N 2 0 304.478 3.714 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000650718353 1018563252 /nfs/dbraw/zinc/56/32/52/1018563252.db2.gz IEAPDJJLBIYIPZ-UHFFFAOYSA-N 2 0 324.346 3.594 20 0 DHADRP C1C[C@H]2CC([NH2+]C3CC[NH+](C4CCCCC4)CC3)C[C@@H]1S2 ZINC000925207983 1018565113 /nfs/dbraw/zinc/56/51/13/1018565113.db2.gz RMWUQOVTLTUMLO-ZNXRZULTSA-N 2 0 308.535 3.800 20 0 DHADRP C[C@@H]([NH2+]CCOc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000675737652 1018568637 /nfs/dbraw/zinc/56/86/37/1018568637.db2.gz GQAXHICRCNLPHU-MRXNPFEDSA-N 2 0 312.457 3.539 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000583580581 1018579512 /nfs/dbraw/zinc/57/95/12/1018579512.db2.gz ZOKOZPUPCKMBGF-BZSNNMDCSA-N 2 0 316.514 3.774 20 0 DHADRP CSc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000583596311 1018583233 /nfs/dbraw/zinc/58/32/33/1018583233.db2.gz FMZWILMIQFJZJC-AWEZNQCLSA-N 2 0 310.532 3.634 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000675893372 1018617578 /nfs/dbraw/zinc/61/75/78/1018617578.db2.gz LYXOWNKVMHWLBW-FFZOFVMBSA-N 2 0 300.490 3.718 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897594 1018619440 /nfs/dbraw/zinc/61/94/40/1018619440.db2.gz GRJKWRMDNORXBH-YJBOKZPZSA-N 2 0 322.880 3.525 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100786 1018627413 /nfs/dbraw/zinc/62/74/13/1018627413.db2.gz JEOYTVJKLXKBRN-VQIMIIECSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccncc1 ZINC000675927519 1018628093 /nfs/dbraw/zinc/62/80/93/1018628093.db2.gz HOJTWMULWZBJHL-HLIPFELVSA-N 2 0 315.505 3.818 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000675927684 1018628327 /nfs/dbraw/zinc/62/83/27/1018628327.db2.gz CPRSITAWIGIXBP-CFVMTHIKSA-N 2 0 306.416 3.675 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650741443 1018629725 /nfs/dbraw/zinc/62/97/25/1018629725.db2.gz DQHZAPUGRIIEMK-AWEZNQCLSA-N 2 0 317.408 3.620 20 0 DHADRP Fc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000650740707 1018630986 /nfs/dbraw/zinc/63/09/86/1018630986.db2.gz OUKBKBCQMXHOLX-ZYSHUDEJSA-N 2 0 316.464 3.758 20 0 DHADRP FC(F)(F)[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000675928938 1018636289 /nfs/dbraw/zinc/63/62/89/1018636289.db2.gz RULLVHWFMVCPQW-ZBFHGGJFSA-N 2 0 318.427 3.819 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1F ZINC000650743509 1018636681 /nfs/dbraw/zinc/63/66/81/1018636681.db2.gz VEXZLCWMDJZXCJ-UGSOOPFHSA-N 2 0 301.409 3.790 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)C1 ZINC000151109997 1018636901 /nfs/dbraw/zinc/63/69/01/1018636901.db2.gz ZLVYRFGUENTYGW-UONOGXRCSA-N 2 0 310.482 3.930 20 0 DHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000650744929 1018641365 /nfs/dbraw/zinc/64/13/65/1018641365.db2.gz YIRTZXZFAGVHTF-CYBMUJFWSA-N 2 0 301.459 3.590 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278412899 1018669289 /nfs/dbraw/zinc/66/92/89/1018669289.db2.gz HTSYVVYSLHWANY-KRWDZBQOSA-N 2 0 302.487 3.688 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000650755988 1018682067 /nfs/dbraw/zinc/68/20/67/1018682067.db2.gz REKABPIIJGMBFT-CQSZACIVSA-N 2 0 318.411 3.795 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000650758039 1018694231 /nfs/dbraw/zinc/69/42/31/1018694231.db2.gz HKTVTHPVFJFBJR-VBKZILBWSA-N 2 0 312.432 3.958 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCCS2 ZINC000650763016 1018710814 /nfs/dbraw/zinc/71/08/14/1018710814.db2.gz OXURPDBICGCVPQ-KRWDZBQOSA-N 2 0 320.502 3.602 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000650763902 1018713636 /nfs/dbraw/zinc/71/36/36/1018713636.db2.gz LVVYRJZKLAKOTQ-GFCCVEGCSA-N 2 0 300.368 3.746 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000650763936 1018714826 /nfs/dbraw/zinc/71/48/26/1018714826.db2.gz MLRJONFRFBOOID-UONOGXRCSA-N 2 0 317.502 3.768 20 0 DHADRP FC(F)(F)c1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278492188 1018746391 /nfs/dbraw/zinc/74/63/91/1018746391.db2.gz LOGZRPHQLBSUPO-UHFFFAOYSA-N 2 0 312.379 3.669 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000566777951 1018760083 /nfs/dbraw/zinc/76/00/83/1018760083.db2.gz LHNNYHMMRLBOFK-JKSUJKDBSA-N 2 0 300.446 3.684 20 0 DHADRP CC(C)(C)c1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cs1 ZINC000657811487 1018777033 /nfs/dbraw/zinc/77/70/33/1018777033.db2.gz DJWKJNCNGLVJAM-UHFFFAOYSA-N 2 0 321.534 3.652 20 0 DHADRP COc1ccc2c(NC[C@@H](c3ccco3)[NH+](C)C)cc[nH+]c2c1 ZINC000765453333 1018793912 /nfs/dbraw/zinc/79/39/12/1018793912.db2.gz NUKLTAMBAFNHSR-KRWDZBQOSA-N 2 0 311.385 3.551 20 0 DHADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812231 1018795468 /nfs/dbraw/zinc/79/54/68/1018795468.db2.gz OZCPOIPGJMPMBE-UHFFFAOYSA-N 2 0 316.489 3.687 20 0 DHADRP CSc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657813545 1018801208 /nfs/dbraw/zinc/80/12/08/1018801208.db2.gz RGUUDLMMDRNZAY-UHFFFAOYSA-N 2 0 310.532 3.682 20 0 DHADRP Cc1ccc2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)[nH]c2c1 ZINC000657814716 1018814656 /nfs/dbraw/zinc/81/46/56/1018814656.db2.gz KYRLOETZAVLPJA-UHFFFAOYSA-N 2 0 311.473 3.688 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000584001938 1018821613 /nfs/dbraw/zinc/82/16/13/1018821613.db2.gz FQDCJEVKAWPEPQ-RDJZCZTQSA-N 2 0 304.478 3.565 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000158597750 1018862472 /nfs/dbraw/zinc/86/24/72/1018862472.db2.gz UBYVSBPDCODMKI-KSZLIROESA-N 2 0 320.525 3.873 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)CC1 ZINC000584021306 1018865822 /nfs/dbraw/zinc/86/58/22/1018865822.db2.gz OQVXYDBGBBNXMM-LHRDXKRPSA-N 2 0 302.437 3.503 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171629158 1032793501 /nfs/dbraw/zinc/79/35/01/1032793501.db2.gz NZVWFBOQTAFXSN-MAEOIBBWSA-N 3 0 323.569 3.880 20 0 DHADRP FC1(F)CCC[NH+](C/C=C/C[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770681 1018912022 /nfs/dbraw/zinc/91/20/22/1018912022.db2.gz OGTLDWMFMAWSRI-OWOJBTEDSA-N 2 0 322.390 3.785 20 0 DHADRP C[C@@H]([NH3+])c1nc2ccccc2n1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613437 1032798872 /nfs/dbraw/zinc/79/88/72/1032798872.db2.gz JQKYNWQDSKYQGT-CYBMUJFWSA-N 2 0 314.477 3.880 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657833591 1019000942 /nfs/dbraw/zinc/00/09/42/1019000942.db2.gz HHKGQOQUPARDCS-SJLPKXTDSA-N 2 0 312.501 3.570 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657834158 1019014278 /nfs/dbraw/zinc/01/42/78/1019014278.db2.gz JPSKMOAYHCKLHG-WBVHZDCISA-N 2 0 306.881 3.735 20 0 DHADRP C[C@H](c1ccccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584232563 1019038301 /nfs/dbraw/zinc/03/83/01/1019038301.db2.gz ZJNVRNYOQCICEJ-CZUORRHYSA-N 2 0 323.278 3.586 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCSCC1 ZINC000657835943 1019044429 /nfs/dbraw/zinc/04/44/29/1019044429.db2.gz PEWZWEVJBGYRFZ-SFHVURJKSA-N 2 0 306.519 3.902 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C2(CCOCc3ccccc3)CC2)CC1 ZINC000354971071 1019066502 /nfs/dbraw/zinc/06/65/02/1019066502.db2.gz DCRCKCXEKLYVTO-UHFFFAOYSA-N 2 0 316.489 3.588 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000387292182 1019073143 /nfs/dbraw/zinc/07/31/43/1019073143.db2.gz ONOOWLJSKGMFKE-MSOLQXFVSA-N 2 0 308.510 3.578 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000387292187 1019073451 /nfs/dbraw/zinc/07/34/51/1019073451.db2.gz ONOOWLJSKGMFKE-ZWKOTPCHSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000387325144 1019081371 /nfs/dbraw/zinc/08/13/71/1019081371.db2.gz NONNNISWICTTSA-UHFFFAOYSA-N 2 0 318.383 3.795 20 0 DHADRP C[C@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc(O)cc1 ZINC001171623432 1032808054 /nfs/dbraw/zinc/80/80/54/1032808054.db2.gz YJLXQFAQTFGSCL-CQSZACIVSA-N 2 0 304.478 3.737 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCc2cc(F)cc(F)c2)CC1(C)C ZINC001171625302 1032808104 /nfs/dbraw/zinc/80/81/04/1032808104.db2.gz GPQILVCPOAJYLU-UHFFFAOYSA-N 2 0 310.432 3.748 20 0 DHADRP O[C@H](C[C@@H]1CCCCC[N@@H+]1CCC[NH2+]C1CC1)c1cccs1 ZINC000923315157 1019124014 /nfs/dbraw/zinc/12/40/14/1019124014.db2.gz QLXBHZRXAKMGTD-DLBZAZTESA-N 2 0 322.518 3.558 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C[C@](C)(C[NH3+])C1 ZINC001168696013 1019134250 /nfs/dbraw/zinc/13/42/50/1019134250.db2.gz DSHRUIOJUZGZTO-DOXZYTNZSA-N 2 0 320.908 3.941 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(C)o1 ZINC000278738133 1019135265 /nfs/dbraw/zinc/13/52/65/1019135265.db2.gz NDNIXGONMPZXLW-ZDUSSCGKSA-N 2 0 304.409 3.948 20 0 DHADRP CCOC1CCC([NH2+]CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000657845274 1019141330 /nfs/dbraw/zinc/14/13/30/1019141330.db2.gz MMYDEWVLYZMSNE-VYMRPNJYSA-N 2 0 310.526 3.680 20 0 DHADRP C[NH+]1C(C)(C)CC(N2CCC([NH3+])(CC3CCC3)CC2)CC1(C)C ZINC001171627113 1032811606 /nfs/dbraw/zinc/81/16/06/1032811606.db2.gz KKKRPHISKIGZSD-UHFFFAOYSA-N 2 0 321.553 3.621 20 0 DHADRP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923398902 1019173749 /nfs/dbraw/zinc/17/37/49/1019173749.db2.gz ODRLQQILGITGDF-HSEDZPOISA-N 2 0 310.432 3.559 20 0 DHADRP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923419839 1019194251 /nfs/dbraw/zinc/19/42/51/1019194251.db2.gz DRBZORZMZOBNBU-YJBOKZPZSA-N 2 0 319.493 3.665 20 0 DHADRP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451134 1019211430 /nfs/dbraw/zinc/21/14/30/1019211430.db2.gz YTNLLUSIBXTQOQ-JXFKEZNVSA-N 2 0 324.468 3.731 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923453003 1019212112 /nfs/dbraw/zinc/21/21/12/1019212112.db2.gz VDKSNUWAMCRJCR-VQIMIIECSA-N 2 0 316.489 3.701 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923452997 1019212620 /nfs/dbraw/zinc/21/26/20/1019212620.db2.gz VDKSNUWAMCRJCR-APWZRJJASA-N 2 0 316.489 3.701 20 0 DHADRP C[C@H]1C[N@H+](Cc2csc(C3CCCCC3)n2)CC[C@@H]1C[NH3+] ZINC000923501379 1019245612 /nfs/dbraw/zinc/24/56/12/1019245612.db2.gz RRBLTSYBDGSCIS-DZGCQCFKSA-N 2 0 307.507 3.608 20 0 DHADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000921981810 1019256535 /nfs/dbraw/zinc/25/65/35/1019256535.db2.gz XKSHJTIVEMXXSG-UIBIWLFHSA-N 2 0 310.551 3.903 20 0 DHADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2ccccc12 ZINC000666998092 1032818923 /nfs/dbraw/zinc/81/89/23/1032818923.db2.gz AMFYZSYHQJYCLL-INIZCTEOSA-N 2 0 310.441 3.613 20 0 DHADRP CC[N@H+](CCc1scnc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062183 1019279344 /nfs/dbraw/zinc/27/93/44/1019279344.db2.gz KQJUKVGXVVJIIL-UHFFFAOYSA-N 2 0 317.502 3.578 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000624307350 1019291451 /nfs/dbraw/zinc/29/14/51/1019291451.db2.gz HVQXDPXEXWUWAX-CYBMUJFWSA-N 2 0 314.395 3.611 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000672614627 1019318309 /nfs/dbraw/zinc/31/83/09/1019318309.db2.gz ZRASPXLMHKCFOC-QRQLOZEOSA-N 2 0 316.489 3.794 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1scnc1C1CC1 ZINC000486950758 1019355481 /nfs/dbraw/zinc/35/54/81/1019355481.db2.gz MRXFSCRVGKSMOX-CQSZACIVSA-N 2 0 307.507 3.765 20 0 DHADRP Cc1occc1C[NH+](C)C/C=C/C[N@@H+](C)Cc1ccoc1C ZINC000065603246 1019386870 /nfs/dbraw/zinc/38/68/70/1019386870.db2.gz IMSLYELFTPKQOO-AATRIKPKSA-N 2 0 302.418 3.609 20 0 DHADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090545492 1019408547 /nfs/dbraw/zinc/40/85/47/1019408547.db2.gz BJIFTCMWNIDJMQ-YLJYHZDGSA-N 2 0 322.537 3.704 20 0 DHADRP O[C@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090545482 1019408972 /nfs/dbraw/zinc/40/89/72/1019408972.db2.gz BJIFTCMWNIDJMQ-PXNSSMCTSA-N 2 0 322.537 3.704 20 0 DHADRP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090763823 1019415079 /nfs/dbraw/zinc/41/50/79/1019415079.db2.gz NFDUSKHPXVYGGH-AWEZNQCLSA-N 2 0 319.493 3.782 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000091372393 1019462760 /nfs/dbraw/zinc/46/27/60/1019462760.db2.gz ZVIPAXTULSLYIX-HXUWFJFHSA-N 2 0 324.472 3.680 20 0 DHADRP C[NH+]1C(C)(C)CC([NH+]2CCC(c3ccncc3)CC2)CC1(C)C ZINC001171638195 1032832882 /nfs/dbraw/zinc/83/28/82/1032832882.db2.gz WFUWRTTXARHNPF-UHFFFAOYSA-N 2 0 315.505 3.912 20 0 DHADRP C[N@H+](CCc1ccccc1F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640995 1032835066 /nfs/dbraw/zinc/83/50/66/1032835066.db2.gz LLOGOQTYKFSTIC-UHFFFAOYSA-N 2 0 306.469 3.951 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000056525389 1019531051 /nfs/dbraw/zinc/53/10/51/1019531051.db2.gz JHGYCLCLDLKYHO-UHFFFAOYSA-N 2 0 315.436 3.538 20 0 DHADRP COCCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000282218199 1019679224 /nfs/dbraw/zinc/67/92/24/1019679224.db2.gz HUMJILOOSCFWMW-QRVBRYPASA-N 2 0 322.468 3.756 20 0 DHADRP C[C@@H]1C[C@H](n2ccc3cc(C[NH3+])ccc32)C[N@@H+]1Cc1ccccc1 ZINC001171726867 1032847827 /nfs/dbraw/zinc/84/78/27/1032847827.db2.gz LDANOJZPGXLLOE-UZLBHIALSA-N 2 0 319.452 3.936 20 0 DHADRP COc1cccc(C[C@H]([NH2+]CCC[NH+](C)C)c2ccccc2)c1 ZINC000151919777 1019731477 /nfs/dbraw/zinc/73/14/77/1019731477.db2.gz FBUKDVSLLXGZBY-FQEVSTJZSA-N 2 0 312.457 3.520 20 0 DHADRP COCCC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000282258277 1019775870 /nfs/dbraw/zinc/77/58/70/1019775870.db2.gz JVGWJTDNLYFUJI-SFHVURJKSA-N 2 0 322.468 3.615 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)CC(F)(F)F ZINC000926585420 1019776094 /nfs/dbraw/zinc/77/60/94/1019776094.db2.gz UYDKSLXOJDWIHT-STQMWFEESA-N 2 0 302.384 3.987 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657888016 1019777468 /nfs/dbraw/zinc/77/74/68/1019777468.db2.gz IRNHBVNBVBWUBE-CYBMUJFWSA-N 2 0 311.420 3.792 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166199781 1019789015 /nfs/dbraw/zinc/78/90/15/1019789015.db2.gz YMYQQJFEKCIXBR-RBUKOAKNSA-N 2 0 316.489 3.624 20 0 DHADRP COCC1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926588043 1019797544 /nfs/dbraw/zinc/79/75/44/1019797544.db2.gz RPHJYENIVZVSJX-MDCZIUGASA-N 2 0 304.478 3.604 20 0 DHADRP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000155463795 1019824727 /nfs/dbraw/zinc/82/47/27/1019824727.db2.gz CFUXJTZZGLJSEA-CQSZACIVSA-N 2 0 306.881 3.692 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000685463153 1019844036 /nfs/dbraw/zinc/84/40/36/1019844036.db2.gz SYQUULXOUHYWHC-GOSISDBHSA-N 2 0 300.490 3.628 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1cc2ccncc2s1 ZINC000657892593 1019873405 /nfs/dbraw/zinc/87/34/05/1019873405.db2.gz CSRNAGZQCCXKIO-TZMCWYRMSA-N 2 0 312.442 3.721 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000708564401 1019879560 /nfs/dbraw/zinc/87/95/60/1019879560.db2.gz VEVGPSPJSLPRQY-LFGUQSLTSA-N 2 0 300.490 3.923 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc(C4CC4)o3)CC2)CC1 ZINC000628230139 1019938622 /nfs/dbraw/zinc/93/86/22/1019938622.db2.gz UMJQYEZEHIFYCA-UHFFFAOYSA-N 2 0 317.477 3.685 20 0 DHADRP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000479965455 1019950003 /nfs/dbraw/zinc/95/00/03/1019950003.db2.gz WBNRNBIATXURBL-GFCCVEGCSA-N 2 0 305.397 3.525 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]CCCCCCC[NH+]2CCCC2)c(C)n1 ZINC000765775101 1019951342 /nfs/dbraw/zinc/95/13/42/1019951342.db2.gz KUGKKTGHLBXRFW-MRXNPFEDSA-N 2 0 318.509 3.790 20 0 DHADRP CCOC1CCC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000657930223 1020008591 /nfs/dbraw/zinc/00/85/91/1020008591.db2.gz CEPDNSNBZHHCEQ-UHFFFAOYSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C(F)(F)F)CC3)CC2)C1 ZINC000671768081 1020028132 /nfs/dbraw/zinc/02/81/32/1020028132.db2.gz NKQKYYONYHIZQM-ZFWWWQNUSA-N 2 0 318.427 3.962 20 0 DHADRP CCOC1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000657969683 1020046393 /nfs/dbraw/zinc/04/63/93/1020046393.db2.gz SZQWQIHZSOILDM-INECWFNRSA-N 2 0 308.510 3.577 20 0 DHADRP CCOC1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000657969681 1020047660 /nfs/dbraw/zinc/04/76/60/1020047660.db2.gz SZQWQIHZSOILDM-HNXFYBAISA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc2ccncc2s1 ZINC000658032553 1020098131 /nfs/dbraw/zinc/09/81/31/1020098131.db2.gz SENQOOSXOUFKCO-ZDUSSCGKSA-N 2 0 303.475 3.821 20 0 DHADRP COc1ccsc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922503835 1020103982 /nfs/dbraw/zinc/10/39/82/1020103982.db2.gz KXYSVGVBCRSAKT-UHFFFAOYSA-N 2 0 308.491 3.643 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000658034509 1020104923 /nfs/dbraw/zinc/10/49/23/1020104923.db2.gz GYNYSOSIQRBICL-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000658060596 1020109296 /nfs/dbraw/zinc/10/92/96/1020109296.db2.gz XZAZVNVAUCPSHV-JLAWEPINSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000658063114 1020112081 /nfs/dbraw/zinc/11/20/81/1020112081.db2.gz RWEKHDZOKWGMGL-LQWHRVPQSA-N 2 0 323.484 3.685 20 0 DHADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC[NH+](C)C ZINC000673598970 1020172578 /nfs/dbraw/zinc/17/25/78/1020172578.db2.gz MUFFZEDYSSFFMB-JLHYYAGUSA-N 2 0 300.368 3.650 20 0 DHADRP Cc1ccncc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658127794 1020175774 /nfs/dbraw/zinc/17/57/74/1020175774.db2.gz WVXIXEBCOPVBOX-FXAWDEMLSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000765778809 1020177816 /nfs/dbraw/zinc/17/78/16/1020177816.db2.gz BWLQLNJKGTYRCR-CYBMUJFWSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(C)(C)F)CC1 ZINC000658191205 1020212338 /nfs/dbraw/zinc/21/23/38/1020212338.db2.gz NDCZSWGRYAFNAZ-MRXNPFEDSA-N 2 0 306.469 3.810 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(C)(C)F)CC1 ZINC000658191203 1020213269 /nfs/dbraw/zinc/21/32/69/1020213269.db2.gz NDCZSWGRYAFNAZ-INIZCTEOSA-N 2 0 306.469 3.810 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000658184016 1020215538 /nfs/dbraw/zinc/21/55/38/1020215538.db2.gz HAIUSXVXPPTFIZ-WMZOPIPTSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658325526 1020304066 /nfs/dbraw/zinc/30/40/66/1020304066.db2.gz OMWKKJIODYHVQX-IEBWSBKVSA-N 2 0 312.457 3.712 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000922845961 1020305561 /nfs/dbraw/zinc/30/55/61/1020305561.db2.gz HPEQFCYNBWKPKC-UHFFFAOYSA-N 2 0 315.486 3.793 20 0 DHADRP Fc1cccc2c1C[C@H]([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001171801257 1032890704 /nfs/dbraw/zinc/89/07/04/1032890704.db2.gz KLVOOMVIVOEGDC-QZTJIDSGSA-N 2 0 316.464 3.633 20 0 DHADRP CCOc1cccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000922848050 1020307899 /nfs/dbraw/zinc/30/78/99/1020307899.db2.gz LCAKIRSLQKQJDU-UHFFFAOYSA-N 2 0 302.462 3.582 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000658352355 1020320867 /nfs/dbraw/zinc/32/08/67/1020320867.db2.gz FJCNBDLLDKNZEV-INIZCTEOSA-N 2 0 316.489 3.776 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658356642 1020321815 /nfs/dbraw/zinc/32/18/15/1020321815.db2.gz KRNYICLQCBGOIN-INIZCTEOSA-N 2 0 316.489 3.858 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357905 1020321991 /nfs/dbraw/zinc/32/19/91/1020321991.db2.gz WFBHUHLTNOWITE-QGZVFWFLSA-N 2 0 306.519 3.781 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)s1 ZINC000658357609 1020322475 /nfs/dbraw/zinc/32/24/75/1020322475.db2.gz URPHHIVTSSJJSI-GFCCVEGCSA-N 2 0 307.507 3.533 20 0 DHADRP CC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358413 1020323316 /nfs/dbraw/zinc/32/33/16/1020323316.db2.gz UYJALJFMJVKLOD-HXUWFJFHSA-N 2 0 300.490 3.719 20 0 DHADRP COc1ccc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)ccc2c1 ZINC000623654749 1020336830 /nfs/dbraw/zinc/33/68/30/1020336830.db2.gz IAEIBBLNOUDVFE-KRWDZBQOSA-N 2 0 312.457 3.670 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000623655193 1020336957 /nfs/dbraw/zinc/33/69/57/1020336957.db2.gz QSWMUIFNHQDOHU-CQSZACIVSA-N 2 0 300.368 3.527 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000115628227 1020346894 /nfs/dbraw/zinc/34/68/94/1020346894.db2.gz HPFOOXSWCGLBND-QAPCUYQASA-N 2 0 324.896 3.567 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCC2)cc1 ZINC000922887961 1020374724 /nfs/dbraw/zinc/37/47/24/1020374724.db2.gz HVNWVWRTBVXZAB-NLWGTHIKSA-N 2 0 314.473 3.753 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000132590035 1020381795 /nfs/dbraw/zinc/38/17/95/1020381795.db2.gz MBDQFVYAEWPXBE-NWDGAFQWSA-N 2 0 301.261 3.608 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000282280994 1020399858 /nfs/dbraw/zinc/39/98/58/1020399858.db2.gz RRZIOKKSEMSLRI-VQTJNVASSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655835226 1020409132 /nfs/dbraw/zinc/40/91/32/1020409132.db2.gz NDAOSVXHQHJMET-GGPKGHCWSA-N 2 0 323.484 3.513 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628252281 1020455277 /nfs/dbraw/zinc/45/52/77/1020455277.db2.gz OOAUAQAKKSWBDV-INIZCTEOSA-N 2 0 314.395 3.664 20 0 DHADRP CC(C)CCOc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166431240 1020578987 /nfs/dbraw/zinc/57/89/87/1020578987.db2.gz QEQGXXBZFKJFQR-RBUKOAKNSA-N 2 0 316.489 3.828 20 0 DHADRP CC(C)C1=[NH+]CCc2ccc(NCC(C)(C)C[NH+](C)C)cc21 ZINC001168769453 1020660474 /nfs/dbraw/zinc/66/04/74/1020660474.db2.gz UADBLLAHAMQCPH-UHFFFAOYSA-N 2 0 301.478 3.688 20 0 DHADRP CSCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924554454 1020681929 /nfs/dbraw/zinc/68/19/29/1020681929.db2.gz ZROABENUDHUWSQ-AYHJJNSGSA-N 2 0 304.503 3.525 20 0 DHADRP CC[C@@H]1CN(Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498647 1020776688 /nfs/dbraw/zinc/77/66/88/1020776688.db2.gz LVKHVOKDGKGZSQ-WBMJQRKESA-N 2 0 319.449 3.508 20 0 DHADRP CC[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498348 1020777911 /nfs/dbraw/zinc/77/79/11/1020777911.db2.gz FSDQHPSPUJDJAW-ICSRJNTNSA-N 2 0 324.468 3.825 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414072389 1020848592 /nfs/dbraw/zinc/84/85/92/1020848592.db2.gz MMKDIBVWQYNPHT-KYJSFNMBSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414123670 1020916057 /nfs/dbraw/zinc/91/60/57/1020916057.db2.gz OUTGSFRDNPOJSZ-CQSZACIVSA-N 2 0 315.486 3.803 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414163603 1020950610 /nfs/dbraw/zinc/95/06/10/1020950610.db2.gz GOIYQBRGGLKANJ-BFUOFWGJSA-N 2 0 309.388 3.887 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414168559 1020956658 /nfs/dbraw/zinc/95/66/58/1020956658.db2.gz AMHMHQGTTKDHDO-PXNSSMCTSA-N 2 0 300.490 3.638 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000668817874 1020957241 /nfs/dbraw/zinc/95/72/41/1020957241.db2.gz BKDZOJYKXXZPIC-BBWFWOEESA-N 2 0 310.551 3.618 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000414170889 1020959111 /nfs/dbraw/zinc/95/91/11/1020959111.db2.gz CPUGSKVFISYUIJ-FUHWJXTLSA-N 2 0 302.462 3.530 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414173100 1020960434 /nfs/dbraw/zinc/96/04/34/1020960434.db2.gz GELHNUDOWCFVAL-PKOBYXMFSA-N 2 0 306.469 3.714 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000414175294 1020963518 /nfs/dbraw/zinc/96/35/18/1020963518.db2.gz HJOGIDHGOTWHGD-VQIMIIECSA-N 2 0 304.478 3.714 20 0 DHADRP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414177936 1020966036 /nfs/dbraw/zinc/96/60/36/1020966036.db2.gz JIQRBLGYVPZNBC-KSSFIOAISA-N 2 0 310.432 3.983 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414190534 1020979336 /nfs/dbraw/zinc/97/93/36/1020979336.db2.gz RUWSVUAEJWDXIC-SJORKVTESA-N 2 0 304.478 3.856 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000414194392 1020982577 /nfs/dbraw/zinc/98/25/77/1020982577.db2.gz URLICLIAGZLGBA-WMLDXEAASA-N 2 0 322.880 3.875 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414200281 1020987772 /nfs/dbraw/zinc/98/77/72/1020987772.db2.gz XRONJTIYBAEADI-KGLIPLIRSA-N 2 0 310.869 3.731 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000414227997 1021016965 /nfs/dbraw/zinc/01/69/65/1021016965.db2.gz DCACWHBZYMMCNZ-FEHORTKBSA-N 2 0 322.537 3.823 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)[C@@H](C)C1 ZINC000414242765 1021026575 /nfs/dbraw/zinc/02/65/75/1021026575.db2.gz QGTNABPERNIIMV-YOEHRIQHSA-N 2 0 322.443 3.706 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)OCC2CC2)CC1 ZINC000414250443 1021032323 /nfs/dbraw/zinc/03/23/23/1021032323.db2.gz BDEJNIHHIPGXEK-QFBILLFUSA-N 2 0 322.537 3.824 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]CC34CCC(CC3)C4)CC2)cc1 ZINC000537949747 1032949577 /nfs/dbraw/zinc/94/95/77/1032949577.db2.gz SYYZFMCXXDVYGB-UHFFFAOYSA-N 2 0 312.501 3.863 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC(F)(F)F ZINC000414280953 1021055238 /nfs/dbraw/zinc/05/52/38/1021055238.db2.gz LXVCKWNJZVEESL-ZDUSSCGKSA-N 2 0 306.416 3.962 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000537952444 1032950802 /nfs/dbraw/zinc/95/08/02/1032950802.db2.gz FRFXHINPBOHHIO-GJZGRUSLSA-N 2 0 310.432 3.983 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000414308502 1021079617 /nfs/dbraw/zinc/07/96/17/1021079617.db2.gz QLZGCADGRSZERL-SOLBZPMBSA-N 2 0 308.510 3.577 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000414338922 1021106811 /nfs/dbraw/zinc/10/68/11/1021106811.db2.gz LARXQSDPOMGZFV-LPHOPBHVSA-N 2 0 316.489 3.651 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414341596 1021110802 /nfs/dbraw/zinc/11/08/02/1021110802.db2.gz IAXFCVORCCIREE-NXWXRZEISA-N 2 0 310.441 3.636 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414343422 1021112788 /nfs/dbraw/zinc/11/27/88/1021112788.db2.gz JSMOLNYUCAETOK-NSISKUIASA-N 2 0 324.468 3.821 20 0 DHADRP Fc1ccccc1-c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000647536816 1021135912 /nfs/dbraw/zinc/13/59/12/1021135912.db2.gz HZNYEXIYDUAFKD-LJQANCHMSA-N 2 0 314.404 3.661 20 0 DHADRP CSc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542738 1021145041 /nfs/dbraw/zinc/14/50/41/1021145041.db2.gz BCQFKKJRNZPQBZ-IAGOWNOFSA-N 2 0 304.503 3.620 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423395941 1021193319 /nfs/dbraw/zinc/19/33/19/1021193319.db2.gz SAXWEIIATMTQIG-OAGGEKHMSA-N 2 0 323.278 3.760 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423388208 1021194356 /nfs/dbraw/zinc/19/43/56/1021194356.db2.gz NHKHLUZRHKUXAL-FPMFFAJLSA-N 2 0 314.445 3.964 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000423383057 1021194619 /nfs/dbraw/zinc/19/46/19/1021194619.db2.gz KIGMSSYKNRUVRL-IKGGRYGDSA-N 2 0 320.477 3.795 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000537985917 1032960723 /nfs/dbraw/zinc/96/07/23/1032960723.db2.gz GFPZARINQNPBJU-IUODEOHRSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000187469093 1021205155 /nfs/dbraw/zinc/20/51/55/1021205155.db2.gz GQFLJFAEAUQQBY-QGPMSJSTSA-N 2 0 306.881 3.860 20 0 DHADRP c1ccc(CSCCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000090550252 1021233702 /nfs/dbraw/zinc/23/37/02/1021233702.db2.gz LIGWASKHKVHXJS-IBGZPJMESA-N 2 0 318.530 3.728 20 0 DHADRP COC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171978332 1032967180 /nfs/dbraw/zinc/96/71/80/1032967180.db2.gz YBMGDWAIGJIETE-SFHVURJKSA-N 2 0 316.489 3.540 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000377063288 1021252185 /nfs/dbraw/zinc/25/21/85/1021252185.db2.gz WBBWALYAFDBFEU-XLIONFOSSA-N 2 0 309.457 3.644 20 0 DHADRP c1sc(CNCCC[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000236587579 1021272816 /nfs/dbraw/zinc/27/28/16/1021272816.db2.gz IORSLJYSJBSHNB-UHFFFAOYSA-N 2 0 315.486 3.776 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000091367782 1021279118 /nfs/dbraw/zinc/27/91/18/1021279118.db2.gz NAPKGBZFALKERV-ZHALLVOQSA-N 2 0 302.462 3.609 20 0 DHADRP CC1(C)C[C@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171984026 1032965022 /nfs/dbraw/zinc/96/50/22/1032965022.db2.gz BHCSMFIVJFFFDF-MKXGPGLRSA-N 2 0 316.464 3.577 20 0 DHADRP CCCN(Cc1c(C)cc(Cl)nc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842282 1021347107 /nfs/dbraw/zinc/34/71/07/1021347107.db2.gz DNRKOTGCGMWKDJ-LBPRGKRZSA-N 2 0 316.276 3.518 20 0 DHADRP [NH3+]Cc1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172063747 1032988044 /nfs/dbraw/zinc/98/80/44/1032988044.db2.gz CZEFZROLYGYAIX-PMOLBWCYSA-N 2 0 309.457 3.705 20 0 DHADRP C[C@@H](CSCCF)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000850467603 1021552912 /nfs/dbraw/zinc/55/29/12/1021552912.db2.gz XTJBOMRBBOIISN-FUHWJXTLSA-N 2 0 324.509 3.579 20 0 DHADRP CCSCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063336 1032988457 /nfs/dbraw/zinc/98/84/57/1032988457.db2.gz YFYCNDSZXCREEB-REPLKXPHSA-N 2 0 318.530 3.915 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000556148413 1021569672 /nfs/dbraw/zinc/56/96/72/1021569672.db2.gz BQGRDDGEEWNGHL-HGKCTWBKSA-N 2 0 304.478 3.572 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cc(C)ccc2OC)C1 ZINC000093400396 1021579142 /nfs/dbraw/zinc/57/91/42/1021579142.db2.gz NXXPHIGENSHQLQ-WMZOPIPTSA-N 2 0 304.478 3.776 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000556221625 1021617857 /nfs/dbraw/zinc/61/78/57/1021617857.db2.gz BODSJEHZMQAPIF-PKOBYXMFSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)CC[N@@H+]1C ZINC000556221359 1021618637 /nfs/dbraw/zinc/61/86/37/1021618637.db2.gz NFYXCDYOBDIMNO-KBMXLJTQSA-N 2 0 314.395 3.795 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)CC[N@@H+]1C ZINC000556221358 1021619285 /nfs/dbraw/zinc/61/92/85/1021619285.db2.gz NFYXCDYOBDIMNO-FVQBIDKESA-N 2 0 314.395 3.795 20 0 DHADRP C[C@@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068378 1032992614 /nfs/dbraw/zinc/99/26/14/1032992614.db2.gz QKJVITOYPRMJDH-OQIJWPOYSA-N 2 0 324.472 3.661 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659846026 1021732362 /nfs/dbraw/zinc/73/23/62/1021732362.db2.gz YPIYVAVPDLSDJN-UHFFFAOYSA-N 2 0 312.910 3.706 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893000933 1021785350 /nfs/dbraw/zinc/78/53/50/1021785350.db2.gz XVQMEEPGEBMCQH-BVXMROAISA-N 2 0 322.880 3.631 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000158988451 1021830231 /nfs/dbraw/zinc/83/02/31/1021830231.db2.gz SLBMECJINYHIRS-MRXNPFEDSA-N 2 0 306.519 3.548 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001172110840 1033010723 /nfs/dbraw/zinc/01/07/23/1033010723.db2.gz PXMGCRHGMPHIQX-DFGXFYAUSA-N 2 0 319.880 3.791 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1ccc(Cl)cc1 ZINC000556871331 1021910964 /nfs/dbraw/zinc/91/09/64/1021910964.db2.gz LJAVRUBRBAPBBK-RNJTYBCJSA-N 2 0 322.880 3.570 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000556867860 1021911828 /nfs/dbraw/zinc/91/18/28/1021911828.db2.gz AXNYABORASJRST-OKZBNKHCSA-N 2 0 318.892 3.834 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000556871410 1021912269 /nfs/dbraw/zinc/91/22/69/1021912269.db2.gz LZYIMHRIMSXJNT-QHAWAJNXSA-N 2 0 321.468 3.711 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000572564880 1021914710 /nfs/dbraw/zinc/91/47/10/1021914710.db2.gz BEPCWAQOFWFFGA-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccc(Cl)cc1 ZINC000556878294 1021921563 /nfs/dbraw/zinc/92/15/63/1021921563.db2.gz LJAVRUBRBAPBBK-OKDNKWQNSA-N 2 0 322.880 3.570 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1ccc(Cl)cc1 ZINC000556878292 1021923911 /nfs/dbraw/zinc/92/39/11/1021923911.db2.gz LJAVRUBRBAPBBK-LIRZEXBASA-N 2 0 322.880 3.570 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934505 1021955708 /nfs/dbraw/zinc/95/57/08/1021955708.db2.gz WFFVOPVIRJMDQK-YVWKXTFCSA-N 2 0 322.537 3.560 20 0 DHADRP CC(C)COc1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000556932694 1021957819 /nfs/dbraw/zinc/95/78/19/1021957819.db2.gz FDMWYGJLPROPNF-HXUWFJFHSA-N 2 0 316.489 3.639 20 0 DHADRP FC(F)(F)c1ccccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000262572238 1021965588 /nfs/dbraw/zinc/96/55/88/1021965588.db2.gz XNKSCSGZWJOJAX-ZDUSSCGKSA-N 2 0 312.379 3.669 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCCCCCCCO)C2 ZINC001172112265 1033019001 /nfs/dbraw/zinc/01/90/01/1033019001.db2.gz VDTVOBMOCNPTOW-REPLKXPHSA-N 2 0 310.526 3.704 20 0 DHADRP c1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000040175321 1022018389 /nfs/dbraw/zinc/01/83/89/1022018389.db2.gz PHJTYAGBXNZZOP-UHFFFAOYSA-N 2 0 303.409 3.557 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1cccc3ccccc31)C2 ZINC001172119382 1033024230 /nfs/dbraw/zinc/02/42/30/1033024230.db2.gz ZDQZVBXSNDMEIT-OSYLJGHBSA-N 2 0 307.441 3.770 20 0 DHADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(C)C ZINC000766450668 1022120748 /nfs/dbraw/zinc/12/07/48/1022120748.db2.gz CDFSXYKRRLLJEO-RBUKOAKNSA-N 2 0 322.537 3.967 20 0 DHADRP Cc1cc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])cc(C)[nH+]1 ZINC001168996365 1022208474 /nfs/dbraw/zinc/20/84/74/1022208474.db2.gz SGFHHXLHASZWCK-UHFFFAOYSA-N 2 0 314.820 3.582 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC001169048546 1022229481 /nfs/dbraw/zinc/22/94/81/1022229481.db2.gz AABIBUOJWNEUAS-HXUWFJFHSA-N 2 0 302.506 3.965 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1F)C1CCC1)C2 ZINC001169100535 1022248147 /nfs/dbraw/zinc/24/81/47/1022248147.db2.gz KRLZHAYKDWVJJC-RCJHGTSTSA-N 2 0 302.437 3.882 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC001169099759 1022248173 /nfs/dbraw/zinc/24/81/73/1022248173.db2.gz VCYNFVRVWFLMKH-VCOSZWKGSA-N 2 0 312.379 3.981 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101306 1022248531 /nfs/dbraw/zinc/24/85/31/1022248531.db2.gz RAIKZWQIFGYREG-FCGDIQPGSA-N 2 0 302.437 3.882 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169090202 1022255311 /nfs/dbraw/zinc/25/53/11/1022255311.db2.gz IQHVITOFOPIVNT-ITSMKTFKSA-N 2 0 302.506 3.806 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CC1CC1)c1cccc(F)c1)C2 ZINC001169118855 1022257779 /nfs/dbraw/zinc/25/77/79/1022257779.db2.gz OORKIZFTCBMJDD-FCGDIQPGSA-N 2 0 302.437 3.882 20 0 DHADRP FC(F)(F)C1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925535563 1022258162 /nfs/dbraw/zinc/25/81/62/1022258162.db2.gz HKMXHWLDTZUTHT-FJBKBRRZSA-N 2 0 318.427 3.865 20 0 DHADRP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116123 1022258414 /nfs/dbraw/zinc/25/84/14/1022258414.db2.gz OIWYGRDTAJWXNU-GBWWWVLNSA-N 2 0 319.537 3.516 20 0 DHADRP COc1ccc2cccc(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC001169108300 1022266625 /nfs/dbraw/zinc/26/66/25/1022266625.db2.gz QLNXPSVIEZGJPC-REPLKXPHSA-N 2 0 324.468 3.606 20 0 DHADRP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001169108810 1022266936 /nfs/dbraw/zinc/26/69/36/1022266936.db2.gz CJROPVGGTWSCOQ-BJWYYQGGSA-N 2 0 310.441 3.563 20 0 DHADRP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169139485 1022268059 /nfs/dbraw/zinc/26/80/59/1022268059.db2.gz NPXOSBFRVRQTKH-PMOLBWCYSA-N 2 0 324.512 3.900 20 0 DHADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC001169106860 1022268248 /nfs/dbraw/zinc/26/82/48/1022268248.db2.gz AMUNXQDZQLPWBQ-NRSFXHEJSA-N 2 0 311.473 3.637 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1c1ccccc1)C2 ZINC001169111375 1022270496 /nfs/dbraw/zinc/27/04/96/1022270496.db2.gz PIFYUFDIIIHFIE-VQGLPFKNSA-N 2 0 310.485 3.784 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1CSc3ccccc3C1)CC2 ZINC001172208606 1033043288 /nfs/dbraw/zinc/04/32/88/1033043288.db2.gz LMYVSZLITLYCJD-QGZVFWFLSA-N 2 0 316.514 3.511 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155793 1022286159 /nfs/dbraw/zinc/28/61/59/1022286159.db2.gz VHHCTEPALWZBRT-LOUJCGABSA-N 2 0 306.400 3.727 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000266866068 1022297945 /nfs/dbraw/zinc/29/79/45/1022297945.db2.gz MCLVHJZWLBSXNQ-CVEARBPZSA-N 2 0 322.493 3.865 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]([NH3+])C1 ZINC000925541331 1022308137 /nfs/dbraw/zinc/30/81/37/1022308137.db2.gz KWZJKEIFGXYQBH-DGAVXFQQSA-N 2 0 306.416 3.851 20 0 DHADRP CC[NH+]1CCC([NH2+]CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001169230152 1022312819 /nfs/dbraw/zinc/31/28/19/1022312819.db2.gz UFJWLOSIMZOYIU-UHFFFAOYSA-N 2 0 314.395 3.712 20 0 DHADRP CC[NH+]1CCC(n2cc(C3CC[NH2+]CC3)c3ccccc32)CC1 ZINC001169256260 1022328199 /nfs/dbraw/zinc/32/81/99/1022328199.db2.gz ZJVNEKXUTWLBJJ-UHFFFAOYSA-N 2 0 311.473 3.765 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C12CCC2 ZINC000538394086 1033050087 /nfs/dbraw/zinc/05/00/87/1033050087.db2.gz NAPWHDGPJJAJCJ-RTBURBONSA-N 2 0 322.537 3.682 20 0 DHADRP c1cc2ccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000310077762 1022360488 /nfs/dbraw/zinc/36/04/88/1022360488.db2.gz HFZLBTIQBBMGOU-LJQANCHMSA-N 2 0 319.452 3.780 20 0 DHADRP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000155129023 1022370440 /nfs/dbraw/zinc/37/04/40/1022370440.db2.gz RIDAVCMDSDGMKK-PKOBYXMFSA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C12CCC2 ZINC000538394084 1033052255 /nfs/dbraw/zinc/05/22/55/1033052255.db2.gz NAPWHDGPJJAJCJ-OALUTQOASA-N 2 0 322.537 3.682 20 0 DHADRP COCCC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCC1 ZINC000925560122 1022474939 /nfs/dbraw/zinc/47/49/39/1022474939.db2.gz YONOMHXMOOZAAH-SFHVURJKSA-N 2 0 304.478 3.653 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172199123 1033056959 /nfs/dbraw/zinc/05/69/59/1033056959.db2.gz SKMKXGDGVLIXPZ-QGZVFWFLSA-N 2 0 316.514 3.687 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172196935 1033056998 /nfs/dbraw/zinc/05/69/98/1033056998.db2.gz JBTBODPIDIBWKR-BZSNNMDCSA-N 2 0 316.514 3.685 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cn2cc[nH+]c2cc1C ZINC001169699600 1022509533 /nfs/dbraw/zinc/50/95/33/1022509533.db2.gz ZVCIIVRGYJZBOV-INIZCTEOSA-N 2 0 306.413 3.883 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052445 1022516048 /nfs/dbraw/zinc/51/60/48/1022516048.db2.gz ULNWCKGPBVOBHH-CVEARBPZSA-N 2 0 304.478 3.856 20 0 DHADRP CO[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000671114891 1022574041 /nfs/dbraw/zinc/57/40/41/1022574041.db2.gz KSQDIRZJEZUNMN-MHJFOBGBSA-N 2 0 318.505 3.690 20 0 DHADRP C[C@@H]([NH2+]CCCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866755 1022577187 /nfs/dbraw/zinc/57/71/87/1022577187.db2.gz DYEWEKAXZHPYLR-GDBMZVCRSA-N 2 0 314.395 3.829 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc2n1 ZINC000275608996 1022602235 /nfs/dbraw/zinc/60/22/35/1022602235.db2.gz MPDPKJSHEZFCJD-YQQQUEKLSA-N 2 0 309.457 3.648 20 0 DHADRP Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168358934 1033067093 /nfs/dbraw/zinc/06/70/93/1033067093.db2.gz YLXMUUUGSHIZDL-KRWDZBQOSA-N 2 0 316.489 3.535 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158181316 1022610959 /nfs/dbraw/zinc/61/09/59/1022610959.db2.gz YZYBGIKWEKXGKP-ILXRZTDVSA-N 2 0 317.502 3.720 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC)C1CCOCC1 ZINC000584695441 1022632731 /nfs/dbraw/zinc/63/27/31/1022632731.db2.gz CZSJXNNLSUJHMG-GBESFXJTSA-N 2 0 310.526 3.682 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482609 1022632811 /nfs/dbraw/zinc/63/28/11/1022632811.db2.gz AQFJWBQOVNXQMW-YJBOKZPZSA-N 2 0 322.880 3.525 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCC2)CC[N@@H+]1C ZINC000158982095 1022678918 /nfs/dbraw/zinc/67/89/18/1022678918.db2.gz VOYSOXGLRGCBAT-RHSMWYFYSA-N 2 0 306.881 3.834 20 0 DHADRP Cc1ncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000158978825 1022678948 /nfs/dbraw/zinc/67/89/48/1022678948.db2.gz APIOYYLYAGQZEZ-OAHLLOKOSA-N 2 0 321.534 3.928 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417336475 1022691980 /nfs/dbraw/zinc/69/19/80/1022691980.db2.gz VQFMBHJNKNJQDN-XOKHGSTOSA-N 2 0 304.503 3.704 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H]1CC1(F)F ZINC000621377799 1022729801 /nfs/dbraw/zinc/72/98/01/1022729801.db2.gz GPZFJBBKISAECW-MRXNPFEDSA-N 2 0 310.432 3.780 20 0 DHADRP Cc1ccccc1SC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000859140205 1033078309 /nfs/dbraw/zinc/07/83/09/1033078309.db2.gz LGKBHUXYUFXTNW-RDJZCZTQSA-N 2 0 306.519 3.607 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000159225153 1022871894 /nfs/dbraw/zinc/87/18/94/1022871894.db2.gz AWOHJNYHOFXUFT-GOSISDBHSA-N 2 0 318.505 3.763 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000925624428 1022877290 /nfs/dbraw/zinc/87/72/90/1022877290.db2.gz XKKSTCHDLKTPRE-UXHICEINSA-N 2 0 312.457 3.570 20 0 DHADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768095058 1022882602 /nfs/dbraw/zinc/88/26/02/1022882602.db2.gz ZPTJTDXCRGHFEB-APWZRJJASA-N 2 0 316.489 3.784 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768108864 1022889154 /nfs/dbraw/zinc/88/91/54/1022889154.db2.gz RWHRVDDMOWCUSO-OTWHNJEPSA-N 2 0 316.489 3.925 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768108863 1022889287 /nfs/dbraw/zinc/88/92/87/1022889287.db2.gz RWHRVDDMOWCUSO-FHWLQOOXSA-N 2 0 316.489 3.925 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000163313683 1022908937 /nfs/dbraw/zinc/90/89/37/1022908937.db2.gz FOEZZVBTIWXZTK-XHDPSFHLSA-N 2 0 313.272 3.912 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000414922515 1022911753 /nfs/dbraw/zinc/91/17/53/1022911753.db2.gz HEVGUCDXICYNIK-CCRGXQTGSA-N 2 0 302.462 3.581 20 0 DHADRP Cc1ccccc1OCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768211868 1022917251 /nfs/dbraw/zinc/91/72/51/1022917251.db2.gz GMRJTKGXVNSQLK-UHFFFAOYSA-N 2 0 312.457 3.567 20 0 DHADRP c1ccc(OCCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000164058965 1022936109 /nfs/dbraw/zinc/93/61/09/1022936109.db2.gz ZOFKXIIQKNDXRF-UHFFFAOYSA-N 2 0 316.489 3.842 20 0 DHADRP C[C@H](CC[NH2+][C@H](C)c1ccc2c(c1)CCO2)[NH+]1CCCCC1 ZINC000184499423 1022939227 /nfs/dbraw/zinc/93/92/27/1022939227.db2.gz PRRZZOHNZOKAHB-HZPDHXFCSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1ccccc1C[N@H+]([C@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172283060 1033093604 /nfs/dbraw/zinc/09/36/04/1033093604.db2.gz VWZZGEUAWLQARC-GUDVDZBRSA-N 2 0 316.489 3.634 20 0 DHADRP C[C@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000651466709 1022943309 /nfs/dbraw/zinc/94/33/09/1022943309.db2.gz HNCSJQYVPYFRNB-AWEZNQCLSA-N 2 0 306.881 3.735 20 0 DHADRP Cc1nc(CNCc2cccc(C[NH+]3CCCC3)c2)sc1C ZINC000893334096 1022947552 /nfs/dbraw/zinc/94/75/52/1022947552.db2.gz XTEQGOANEYLKGA-UHFFFAOYSA-N 2 0 315.486 3.646 20 0 DHADRP c1[nH]nc2c1[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)CCC2 ZINC000353447517 1022959900 /nfs/dbraw/zinc/95/99/00/1022959900.db2.gz MRTIIOUWBFRSRQ-IBGZPJMESA-N 2 0 324.472 3.563 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000164988405 1022967362 /nfs/dbraw/zinc/96/73/62/1022967362.db2.gz KJDUEFVODSAELD-NUJGCVRESA-N 2 0 324.534 3.926 20 0 DHADRP C[C@@H](CC[NH2+][C@H]1CCOC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000294909878 1022988885 /nfs/dbraw/zinc/98/88/85/1022988885.db2.gz ADWXFLIOQGKALK-HKUYNNGSSA-N 2 0 316.489 3.588 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(CF)cc2)cc1 ZINC000859213539 1033101169 /nfs/dbraw/zinc/10/11/69/1033101169.db2.gz WTEPGYAXEVRXBF-UHFFFAOYSA-N 2 0 300.421 3.850 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000768926824 1023057691 /nfs/dbraw/zinc/05/76/91/1023057691.db2.gz OHUKLAOJZMXHGW-UHFFFAOYSA-N 2 0 311.473 3.787 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000249783742 1023062934 /nfs/dbraw/zinc/06/29/34/1023062934.db2.gz LSVVMIVIUDMGGW-UYAOXDASSA-N 2 0 316.489 3.652 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(C[NH+](C)C)c1 ZINC000925691692 1023173311 /nfs/dbraw/zinc/17/33/11/1023173311.db2.gz JQRALJRHGVWFHP-ZDUSSCGKSA-N 2 0 303.837 3.647 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CC(C(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000769538489 1023175986 /nfs/dbraw/zinc/17/59/86/1023175986.db2.gz OUDMIPIGDKFWDH-SEEUUAMPSA-N 2 0 322.443 3.920 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000367683840 1023182125 /nfs/dbraw/zinc/18/21/25/1023182125.db2.gz DUDGGKMZTKLORH-FTWQHDNSSA-N 2 0 316.514 3.523 20 0 DHADRP CCCCCC[C@H](CCC)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001172379481 1033114302 /nfs/dbraw/zinc/11/43/02/1033114302.db2.gz UJBMZTVCTAUITL-IBGZPJMESA-N 2 0 311.558 3.741 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000769869441 1023225645 /nfs/dbraw/zinc/22/56/45/1023225645.db2.gz ACADVCMIUFMTAZ-OAHLLOKOSA-N 2 0 307.482 3.852 20 0 DHADRP Cc1ccccc1SC[C@@H](C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000859314458 1033121877 /nfs/dbraw/zinc/12/18/77/1033121877.db2.gz MHYJFNHQTOUONU-LPHOPBHVSA-N 2 0 318.530 3.751 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCOc1ccc(Cl)cc1)C2 ZINC000660654330 1023365327 /nfs/dbraw/zinc/36/53/27/1023365327.db2.gz GSKCPTMVSVMJOE-GOSISDBHSA-N 2 0 322.880 3.527 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651706004 1023480818 /nfs/dbraw/zinc/48/08/18/1023480818.db2.gz OWEYXQDBGYPZRO-OAHLLOKOSA-N 2 0 310.844 3.788 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(C)C)cc2)[C@@H](C)C1 ZINC000538717200 1033141392 /nfs/dbraw/zinc/14/13/92/1033141392.db2.gz JUCDSNGARLPGBO-PXNSSMCTSA-N 2 0 318.505 3.884 20 0 DHADRP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCC(C)(C)O3)CCN1C ZINC000538718100 1033143839 /nfs/dbraw/zinc/14/38/39/1033143839.db2.gz USJFQUHEBAPNCE-MAUKXSAKSA-N 2 0 316.489 3.705 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1)C1CCCCC1 ZINC000651909909 1023631385 /nfs/dbraw/zinc/63/13/85/1023631385.db2.gz ABSPXMJDPWPHSJ-IEBWSBKVSA-N 2 0 310.526 3.824 20 0 DHADRP CC[N@H+](CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1)C1CCCCC1 ZINC000651909911 1023632079 /nfs/dbraw/zinc/63/20/79/1023632079.db2.gz ABSPXMJDPWPHSJ-PKOBYXMFSA-N 2 0 310.526 3.824 20 0 DHADRP CC[N@H+](CCC[NH2+][C@H]1CCO[C@H](C(C)C)C1)C1CCCCC1 ZINC000651909908 1023632132 /nfs/dbraw/zinc/63/21/32/1023632132.db2.gz ABSPXMJDPWPHSJ-HKUYNNGSSA-N 2 0 310.526 3.824 20 0 DHADRP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)c1 ZINC001172371535 1033151809 /nfs/dbraw/zinc/15/18/09/1033151809.db2.gz UYOFMDWDUYPONU-SOLBZPMBSA-N 2 0 316.489 3.770 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001170064323 1023724805 /nfs/dbraw/zinc/72/48/05/1023724805.db2.gz MXNMNCLEURJOLU-KRWDZBQOSA-N 2 0 306.494 3.931 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001170064324 1023724953 /nfs/dbraw/zinc/72/49/53/1023724953.db2.gz MXNMNCLEURJOLU-QGZVFWFLSA-N 2 0 306.494 3.931 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001170070060 1023765096 /nfs/dbraw/zinc/76/50/96/1023765096.db2.gz BNOGUWFVDAKVSV-QGZVFWFLSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000164610043 1023809098 /nfs/dbraw/zinc/80/90/98/1023809098.db2.gz VJVISYLARPSOTC-KRWDZBQOSA-N 2 0 317.408 3.614 20 0 DHADRP CCOCC[C@@H](C)[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001172428127 1033165168 /nfs/dbraw/zinc/16/51/68/1033165168.db2.gz XZRJORLUNJSMOE-QGZVFWFLSA-N 2 0 310.526 3.636 20 0 DHADRP c1ccc(CN2CCCO[C@H](C[NH+]3CCCCCCC3)C2)cc1 ZINC000788009657 1023836062 /nfs/dbraw/zinc/83/60/62/1023836062.db2.gz PBKXPHFPEGSSOZ-HXUWFJFHSA-N 2 0 316.489 3.544 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529085 1023906255 /nfs/dbraw/zinc/90/62/55/1023906255.db2.gz QQILSDQXQZMIIQ-HOCLYGCPSA-N 2 0 321.896 3.824 20 0 DHADRP CCCCCC[C@@H](CCC)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172388482 1033173809 /nfs/dbraw/zinc/17/38/09/1033173809.db2.gz ZNZJLIGPWSATLY-HXUWFJFHSA-N 2 0 323.569 3.839 20 0 DHADRP ClC1(Cl)C[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000876900096 1033179054 /nfs/dbraw/zinc/17/90/54/1033179054.db2.gz CVSXGTJZGBUTPU-OAHLLOKOSA-N 2 0 313.272 3.566 20 0 DHADRP COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248957 1024028382 /nfs/dbraw/zinc/02/83/82/1024028382.db2.gz MKWFOTKJBGSSRU-OAQYLSRUSA-N 2 0 322.452 3.678 20 0 DHADRP CC[C@](C)([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nc(C)cs1 ZINC000662263557 1024040263 /nfs/dbraw/zinc/04/02/63/1024040263.db2.gz NALLQQSLUZXVNU-SFHVURJKSA-N 2 0 315.486 3.512 20 0 DHADRP C[N@H+](CC1=CCSC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662266546 1024044096 /nfs/dbraw/zinc/04/40/96/1024044096.db2.gz IINTVUDHTXWHGB-UHFFFAOYSA-N 2 0 316.514 3.778 20 0 DHADRP Clc1cccc(SCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000662272663 1024047751 /nfs/dbraw/zinc/04/77/51/1024047751.db2.gz GSDLCCHWCJNKKL-UHFFFAOYSA-N 2 0 310.894 3.508 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000925760962 1024054742 /nfs/dbraw/zinc/05/47/42/1024054742.db2.gz VFEBKKACYDYWDL-MRXNPFEDSA-N 2 0 320.502 3.826 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)[C@@H]1CCC[NH3+] ZINC000662315767 1024101335 /nfs/dbraw/zinc/10/13/35/1024101335.db2.gz SSOKLLIIGCNPIC-UKRRQHHQSA-N 2 0 312.404 3.627 20 0 DHADRP Clc1ccc2sc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2n1 ZINC000876939585 1033186484 /nfs/dbraw/zinc/18/64/84/1033186484.db2.gz ILYCMEARMICWBV-RYUDHWBXSA-N 2 0 321.877 3.666 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876936035 1033187306 /nfs/dbraw/zinc/18/73/06/1033187306.db2.gz WSHYMQNHYMQDSO-CHWSQXEVSA-N 2 0 315.914 3.644 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000268860930 1024181451 /nfs/dbraw/zinc/18/14/51/1024181451.db2.gz BWQHHZNCBRUDCV-INIZCTEOSA-N 2 0 316.489 3.623 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001170123788 1024199958 /nfs/dbraw/zinc/19/99/58/1024199958.db2.gz DEHKTPPITBULSZ-HNJRGHQBSA-N 2 0 300.490 3.923 20 0 DHADRP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCOC1 ZINC000662482806 1024209278 /nfs/dbraw/zinc/20/92/78/1024209278.db2.gz BDVJCTGUDXXCOT-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000268976386 1024209986 /nfs/dbraw/zinc/20/99/86/1024209986.db2.gz GXYHYJIYBALOMJ-UONOGXRCSA-N 2 0 305.491 3.720 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000790057165 1024216328 /nfs/dbraw/zinc/21/63/28/1024216328.db2.gz XRZOYZBWHQMSKJ-LJQANCHMSA-N 2 0 300.490 3.962 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]CCCC[NH+](C)C)cc1OCC ZINC000269001158 1024219254 /nfs/dbraw/zinc/21/92/54/1024219254.db2.gz LNTTYFVXWIEONS-QGZVFWFLSA-N 2 0 322.493 3.867 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000531716046 1024282836 /nfs/dbraw/zinc/28/28/36/1024282836.db2.gz UKTVZGJHEVTEMZ-UXHICEINSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H](c1ccccc1Br)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183655 1024284651 /nfs/dbraw/zinc/28/46/51/1024284651.db2.gz KTLWLBBEACQXNR-GFCCVEGCSA-N 2 0 311.267 3.571 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183615 1024286314 /nfs/dbraw/zinc/28/63/14/1024286314.db2.gz UAIJVJQOSGWTQP-GFCCVEGCSA-N 2 0 300.368 3.827 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000531739161 1024290725 /nfs/dbraw/zinc/29/07/25/1024290725.db2.gz XINLAJAJKNYSIW-AEGPPILISA-N 2 0 310.869 3.872 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000531717635 1024291424 /nfs/dbraw/zinc/29/14/24/1024291424.db2.gz RUWDGLDFHHLCHQ-INIZCTEOSA-N 2 0 318.461 3.722 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453088617 1024322820 /nfs/dbraw/zinc/32/28/20/1024322820.db2.gz RJSWJCKVSNIPDM-ZOBUZTSGSA-N 2 0 310.507 3.678 20 0 DHADRP Cn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453129843 1024360287 /nfs/dbraw/zinc/36/02/87/1024360287.db2.gz KTSKQVZBGIZSPT-PWRODBHTSA-N 2 0 323.484 3.558 20 0 DHADRP Cn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453129837 1024361303 /nfs/dbraw/zinc/36/13/03/1024361303.db2.gz KTSKQVZBGIZSPT-NJDAHSKKSA-N 2 0 323.484 3.558 20 0 DHADRP C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001170144500 1024379589 /nfs/dbraw/zinc/37/95/89/1024379589.db2.gz KJYMHBSMNFFRCD-WMZOPIPTSA-N 2 0 302.462 3.756 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000270504692 1024398105 /nfs/dbraw/zinc/39/81/05/1024398105.db2.gz OEQJJLVRNJBTTK-WDEREUQCSA-N 2 0 316.276 3.568 20 0 DHADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467972 1024405607 /nfs/dbraw/zinc/40/56/07/1024405607.db2.gz JCJVDOYKZJKWQB-LNLFQRSKSA-N 2 0 300.490 3.890 20 0 DHADRP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467173 1024407976 /nfs/dbraw/zinc/40/79/76/1024407976.db2.gz DDWBUTQDJRBVSP-DOTOQJQBSA-N 2 0 304.503 3.837 20 0 DHADRP COc1c(C)cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1C ZINC000791010130 1024419758 /nfs/dbraw/zinc/41/97/58/1024419758.db2.gz DXAPQKFGUASHCQ-UHFFFAOYSA-N 2 0 304.478 3.524 20 0 DHADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C[C@@H]1c1ccccc1 ZINC000663472173 1024426881 /nfs/dbraw/zinc/42/68/81/1024426881.db2.gz ZFUIZPHYQUIAQP-BVPXEZJJSA-N 2 0 312.501 3.890 20 0 DHADRP CC1(F)CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000453242195 1024435567 /nfs/dbraw/zinc/43/55/67/1024435567.db2.gz VPCRGBUOCPUOKI-HJOHHZNUSA-N 2 0 302.437 3.662 20 0 DHADRP Cc1cccnc1CC[NH2+][C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000453304386 1024453021 /nfs/dbraw/zinc/45/30/21/1024453021.db2.gz GBFYYJBGTCBIDZ-GHTZIAJQSA-N 2 0 323.484 3.575 20 0 DHADRP c1cc2cccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2[nH]1 ZINC000271247981 1024477322 /nfs/dbraw/zinc/47/73/22/1024477322.db2.gz CYNVMFBFOUDHPJ-APWZRJJASA-N 2 0 309.457 3.617 20 0 DHADRP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)O1 ZINC000453401786 1024500156 /nfs/dbraw/zinc/50/01/56/1024500156.db2.gz FCOSUHAOKIMOFA-DOTOQJQBSA-N 2 0 310.526 3.823 20 0 DHADRP CCC(C)(C)OCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000453403542 1024501179 /nfs/dbraw/zinc/50/11/79/1024501179.db2.gz GSGVUEDWFUFJOK-WMZOPIPTSA-N 2 0 310.526 3.824 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCCO2 ZINC000453406938 1024504023 /nfs/dbraw/zinc/50/40/23/1024504023.db2.gz ROHDCKKVXADHEO-LJQANCHMSA-N 2 0 316.489 3.981 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C3CCC3)CCC2)[C@H](C)C1 ZINC000453390660 1024510412 /nfs/dbraw/zinc/51/04/12/1024510412.db2.gz HCEDAULYFUQYIW-IEBWSBKVSA-N 2 0 322.537 3.683 20 0 DHADRP CC(C)COCC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001172462281 1033216214 /nfs/dbraw/zinc/21/62/14/1033216214.db2.gz DKIAOUAIFGGTJH-QZTJIDSGSA-N 2 0 306.494 3.535 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172467276 1033217967 /nfs/dbraw/zinc/21/79/67/1033217967.db2.gz LOXBWOBCAJZEEX-OALUTQOASA-N 2 0 322.537 3.848 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)c(Cl)cc1Cl ZINC000643533706 1024537187 /nfs/dbraw/zinc/53/71/87/1024537187.db2.gz CDQKTHKQXMMQBJ-OTYXRUKQSA-N 2 0 317.235 3.925 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000453596418 1024537252 /nfs/dbraw/zinc/53/72/52/1024537252.db2.gz LDNYBDWGUUJACN-UHFFFAOYSA-N 2 0 307.507 3.765 20 0 DHADRP COc1cccc2c(C[NH2+]CCCC[N@H+](C)C3CC3)cccc12 ZINC000453596471 1024537548 /nfs/dbraw/zinc/53/75/48/1024537548.db2.gz LJBGTEGJEMXRDH-UHFFFAOYSA-N 2 0 312.457 3.812 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000643534002 1024538966 /nfs/dbraw/zinc/53/89/66/1024538966.db2.gz JGGFSVUKXQHRLF-HUUCEWRRSA-N 2 0 323.278 3.632 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)C1CCOCC1 ZINC000532201944 1024575306 /nfs/dbraw/zinc/57/53/06/1024575306.db2.gz UVAHTOSIXTXYDH-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000532214117 1024577433 /nfs/dbraw/zinc/57/74/33/1024577433.db2.gz VIVHQKMMIUKEKC-AUUYWEPGSA-N 2 0 304.453 3.771 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000532214131 1024577558 /nfs/dbraw/zinc/57/75/58/1024577558.db2.gz VIVHQKMMIUKEKC-KUHUBIRLSA-N 2 0 304.453 3.771 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925799723 1024602487 /nfs/dbraw/zinc/60/24/87/1024602487.db2.gz CQOPJNWUMGNXIY-NXCDMZCRSA-N 2 0 304.503 3.730 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)CCO1 ZINC000648428409 1024604480 /nfs/dbraw/zinc/60/44/80/1024604480.db2.gz MWSNUMOAKWIBEB-OALUTQOASA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663607234 1024616997 /nfs/dbraw/zinc/61/69/97/1024616997.db2.gz GHYJDWYDOBOMBM-HZPDHXFCSA-N 2 0 312.461 3.654 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001167835656 1024617113 /nfs/dbraw/zinc/61/71/13/1024617113.db2.gz SFVJJKQLSJVMGM-IRXDYDNUSA-N 2 0 308.510 3.721 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001167835657 1024617897 /nfs/dbraw/zinc/61/78/97/1024617897.db2.gz SFVJJKQLSJVMGM-SJORKVTESA-N 2 0 308.510 3.721 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001167836162 1024620571 /nfs/dbraw/zinc/62/05/71/1024620571.db2.gz WQDVYXNBOOJURI-IEBWSBKVSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](C)C2CC2)CC1 ZINC000648434893 1024636460 /nfs/dbraw/zinc/63/64/60/1024636460.db2.gz QWGQUXKVAKTEGT-IAGOWNOFSA-N 2 0 300.490 3.718 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC001167840991 1024652419 /nfs/dbraw/zinc/65/24/19/1024652419.db2.gz JBYMXQQYPNVHNF-INIZCTEOSA-N 2 0 304.478 3.564 20 0 DHADRP Nc1c(Cl)cccc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000877076294 1033229133 /nfs/dbraw/zinc/22/91/33/1033229133.db2.gz KPRPSKSUJLSKEK-UHFFFAOYSA-N 2 0 321.896 3.809 20 0 DHADRP CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197538 1024697818 /nfs/dbraw/zinc/69/78/18/1024697818.db2.gz XMCINVRFWYOLTD-LWYYNNOASA-N 2 0 316.489 3.716 20 0 DHADRP CCN1CCC([NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000038051769 1024715649 /nfs/dbraw/zinc/71/56/49/1024715649.db2.gz FOXUZPQCARKJMA-UHFFFAOYSA-N 2 0 300.471 3.989 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001170259146 1024716201 /nfs/dbraw/zinc/71/62/01/1024716201.db2.gz BPKQGUQSNYUKCD-HNNXBMFYSA-N 2 0 308.897 3.983 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2Cl)[C@H](C)C1 ZINC001170267055 1024717829 /nfs/dbraw/zinc/71/78/29/1024717829.db2.gz TXQQXSRLVRMNAB-RKVPGOIHSA-N 2 0 308.897 3.979 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877078238 1033232661 /nfs/dbraw/zinc/23/26/61/1033232661.db2.gz IVETYONRFXVEAI-UHFFFAOYSA-N 2 0 315.914 3.644 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)cc(C)n2)C1 ZINC000663670137 1024752088 /nfs/dbraw/zinc/75/20/88/1024752088.db2.gz GSCMMAIKJAUVIC-ZDUSSCGKSA-N 2 0 315.383 3.577 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(F)F)cc1 ZINC000666228220 1024812456 /nfs/dbraw/zinc/81/24/56/1024812456.db2.gz OSBOQFIMXLHAMR-MKBNYLNASA-N 2 0 305.372 3.875 20 0 DHADRP Cc1ncccc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350552796 1024825881 /nfs/dbraw/zinc/82/58/81/1024825881.db2.gz GBZAOUCOGKBRII-LEWJYISDSA-N 2 0 323.484 3.562 20 0 DHADRP CCCCCC[C@@H](CCCC)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172514997 1033240788 /nfs/dbraw/zinc/24/07/88/1033240788.db2.gz WRUACCZGKHVLOM-LJQANCHMSA-N 2 0 311.558 3.872 20 0 DHADRP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000925825604 1024858051 /nfs/dbraw/zinc/85/80/51/1024858051.db2.gz ARASZOZLZUTJKT-OLZOCXBDSA-N 2 0 301.409 3.708 20 0 DHADRP Cc1cc(C)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000062253099 1024927846 /nfs/dbraw/zinc/92/78/46/1024927846.db2.gz XHTPVVLWPCXKFO-OALUTQOASA-N 2 0 318.505 3.591 20 0 DHADRP CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CCCCO1 ZINC000353321381 1025026157 /nfs/dbraw/zinc/02/61/57/1025026157.db2.gz PRWVOKBLLYSKMQ-LJQANCHMSA-N 2 0 313.445 3.653 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179931 1025039107 /nfs/dbraw/zinc/03/91/07/1025039107.db2.gz ODTNXHCWCVUVFE-CTNGQTDRSA-N 2 0 308.469 3.902 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000063159038 1025051563 /nfs/dbraw/zinc/05/15/63/1025051563.db2.gz CDNPULNGCAIROG-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202722326 1025060094 /nfs/dbraw/zinc/06/00/94/1025060094.db2.gz PIVQKSCALNCLEC-UHFFFAOYSA-N 2 0 313.489 3.558 20 0 DHADRP CC[N@H+](Cc1occc1C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666458214 1025091331 /nfs/dbraw/zinc/09/13/31/1025091331.db2.gz GDBMEXRATIWCON-UHFFFAOYSA-N 2 0 316.445 3.551 20 0 DHADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000353522216 1025107071 /nfs/dbraw/zinc/10/70/71/1025107071.db2.gz GIPYNSLRNPACGI-CRAIPNDOSA-N 2 0 317.477 3.517 20 0 DHADRP CC(C)C1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000539056247 1033259302 /nfs/dbraw/zinc/25/93/02/1033259302.db2.gz BSNBYMYPJAMFTJ-INIZCTEOSA-N 2 0 304.478 3.714 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000793530744 1025108359 /nfs/dbraw/zinc/10/83/59/1025108359.db2.gz XLOGCAQIXZITTA-NZSAHSFTSA-N 2 0 316.489 3.554 20 0 DHADRP CSC1(C[NH2+][C@H]2C[C@H](C)c3ccccc32)CC[NH+](C)CC1 ZINC000353623600 1025158905 /nfs/dbraw/zinc/15/89/05/1025158905.db2.gz BOJBZXLUEVPHSR-YOEHRIQHSA-N 2 0 304.503 3.652 20 0 DHADRP CSC1(C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC[NH+](C)CC1 ZINC000353629604 1025162490 /nfs/dbraw/zinc/16/24/90/1025162490.db2.gz ZCPVTQUBKAPVKU-QGZVFWFLSA-N 2 0 322.518 3.846 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]([NH3+])C1 ZINC000925839445 1025196823 /nfs/dbraw/zinc/19/68/23/1025196823.db2.gz QZBVZFUVGWLDQH-QKPAOTATSA-N 2 0 308.416 3.531 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000151553532 1025286551 /nfs/dbraw/zinc/28/65/51/1025286551.db2.gz LYXOWNKVMHWLBW-PWIZWCRZSA-N 2 0 300.490 3.718 20 0 DHADRP Cc1ccc(CCC[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000353933044 1025296915 /nfs/dbraw/zinc/29/69/15/1025296915.db2.gz UPBSTPLKIGMDKZ-QZTJIDSGSA-N 2 0 317.521 3.670 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000353936010 1025299991 /nfs/dbraw/zinc/29/99/91/1025299991.db2.gz YYCZMFLZIJLVSI-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353946940 1025301315 /nfs/dbraw/zinc/30/13/15/1025301315.db2.gz KBBDFVKKQMECJJ-RCCFBDPRSA-N 2 0 304.503 3.512 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000171127935 1025301726 /nfs/dbraw/zinc/30/17/26/1025301726.db2.gz GVPPJUHROBAQPT-OAQYLSRUSA-N 2 0 324.468 3.794 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2cccc3c2CC[C@@H]3[NH3+])CC1(C)C ZINC001170452754 1025311431 /nfs/dbraw/zinc/31/14/31/1025311431.db2.gz BSKITGODSUQLIL-INIZCTEOSA-N 2 0 301.478 3.696 20 0 DHADRP Cn1ccc2c1[nH+]ccc2NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170452891 1025311719 /nfs/dbraw/zinc/31/17/19/1025311719.db2.gz FDJCRABFCRXSLY-UHFFFAOYSA-N 2 0 300.450 3.637 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000354026299 1025325132 /nfs/dbraw/zinc/32/51/32/1025325132.db2.gz QRZAIFCGYGCLAG-UHFFFAOYSA-N 2 0 318.505 3.626 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2ccccc2C(C)(C)[NH3+])CC1(C)C ZINC001170453809 1025328803 /nfs/dbraw/zinc/32/88/03/1025328803.db2.gz LCUMSPNYOCMCSI-UHFFFAOYSA-N 2 0 303.494 3.944 20 0 DHADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCS2 ZINC000925857727 1025332286 /nfs/dbraw/zinc/33/22/86/1025332286.db2.gz IALJBDGOCPPWMB-TWMKSMIVSA-N 2 0 308.535 3.705 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261654236 1025341590 /nfs/dbraw/zinc/34/15/90/1025341590.db2.gz BGMXIKOVPPYDTP-LBPRGKRZSA-N 2 0 300.368 3.573 20 0 DHADRP COCCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172545684 1033279349 /nfs/dbraw/zinc/27/93/49/1033279349.db2.gz LWQXYCDAQBEMIB-RTBURBONSA-N 2 0 316.489 3.543 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000885922582 1025406090 /nfs/dbraw/zinc/40/60/90/1025406090.db2.gz FIECEXIRNVYQPH-WOJBJXKFSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)C1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236587336 1025413289 /nfs/dbraw/zinc/41/32/89/1025413289.db2.gz DQSZABWRSIQYSJ-LPOKXYRGSA-N 2 0 310.526 3.680 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000885969619 1025424555 /nfs/dbraw/zinc/42/45/55/1025424555.db2.gz YEUJNDXQHNDZKN-RBUKOAKNSA-N 2 0 310.526 3.970 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000925881501 1025432265 /nfs/dbraw/zinc/43/22/65/1025432265.db2.gz BZLNONCXFTZZLV-HWWQOWPSSA-N 2 0 323.278 3.544 20 0 DHADRP CC[NH+]1CCC(N(C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000125270796 1025461551 /nfs/dbraw/zinc/46/15/51/1025461551.db2.gz FJYSKZGPMPGSPY-UHFFFAOYSA-N 2 0 316.367 3.501 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)ccc1OC(C)C ZINC000125279617 1025461965 /nfs/dbraw/zinc/46/19/65/1025461965.db2.gz MFQQVSOBNBDFKC-ZOBUZTSGSA-N 2 0 320.477 3.616 20 0 DHADRP Cc1ccc(CCC[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000354583109 1025462952 /nfs/dbraw/zinc/46/29/52/1025462952.db2.gz IMODMIWYTKXFQS-UHFFFAOYSA-N 2 0 323.484 3.708 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1CC[NH+](C)CC1 ZINC000125318339 1025469025 /nfs/dbraw/zinc/46/90/25/1025469025.db2.gz CTKJIJVASFJNTD-GOSISDBHSA-N 2 0 302.462 3.530 20 0 DHADRP C[C@H](CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)OCc1ccccc1 ZINC000354699181 1025482110 /nfs/dbraw/zinc/48/21/10/1025482110.db2.gz FMZLXCZMDKKVPM-AEFFLSMTSA-N 2 0 313.445 3.585 20 0 DHADRP C[C@H]([NH2+]CCOC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127665 1025519486 /nfs/dbraw/zinc/51/94/86/1025519486.db2.gz PFHLXSQZMYKKAD-IRXDYDNUSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000354837483 1025519552 /nfs/dbraw/zinc/51/95/52/1025519552.db2.gz OFWLLTKYRVPEID-UYAOXDASSA-N 2 0 318.505 3.646 20 0 DHADRP CCCC[NH+]1CCC(N(C)Cc2cccc(F)c2OC)CC1 ZINC001143534671 1025548943 /nfs/dbraw/zinc/54/89/43/1025548943.db2.gz WJAPUESMCATIOW-UHFFFAOYSA-N 2 0 308.441 3.531 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3c(cccc3O)s2)CC1 ZINC000893920591 1025602404 /nfs/dbraw/zinc/60/24/04/1025602404.db2.gz UAUSCOOXMVTFAV-UHFFFAOYSA-N 2 0 318.486 3.912 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886487593 1025647480 /nfs/dbraw/zinc/64/74/80/1025647480.db2.gz KRPRPIMGBXDKJN-XEVCZEQESA-N 3 0 323.569 3.884 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506551 1025660366 /nfs/dbraw/zinc/66/03/66/1025660366.db2.gz YMGUDQHLKHXBCJ-UGSOOPFHSA-N 2 0 315.436 3.616 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506550 1025661610 /nfs/dbraw/zinc/66/16/10/1025661610.db2.gz YMGUDQHLKHXBCJ-SCLBCKFNSA-N 2 0 315.436 3.616 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000886532794 1025681873 /nfs/dbraw/zinc/68/18/73/1025681873.db2.gz PAPXTSBANJPCQT-KZIZELGASA-N 2 0 320.521 3.577 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000886551723 1025700312 /nfs/dbraw/zinc/70/03/12/1025700312.db2.gz NOHIDSGTVZETKS-HWOWSKLDSA-N 2 0 300.437 3.951 20 0 DHADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000049553285 1025714371 /nfs/dbraw/zinc/71/43/71/1025714371.db2.gz HVQAQYHBXZHBNT-DOMZBBRYSA-N 2 0 313.283 3.830 20 0 DHADRP C[C@H]1C[C@@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886587547 1025724408 /nfs/dbraw/zinc/72/44/08/1025724408.db2.gz AXEYEAKZOMECHJ-YXWAVELNSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCCO1 ZINC000886635124 1025751333 /nfs/dbraw/zinc/75/13/33/1025751333.db2.gz WGILIAJNTKRISN-CXUOOODFSA-N 2 0 308.510 3.721 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000886639385 1025753666 /nfs/dbraw/zinc/75/36/66/1025753666.db2.gz CBRCCPAISHYTHE-NFOMZHRRSA-N 2 0 319.320 3.957 20 0 DHADRP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886646384 1025755733 /nfs/dbraw/zinc/75/57/33/1025755733.db2.gz HVMLQGDHLRWMON-PJVZLEMVSA-N 2 0 316.514 3.523 20 0 DHADRP N=C(Nc1ccc2ccc(-c3ccccc3)nc2c1)SCC[NH3+] ZINC001167915287 1025757436 /nfs/dbraw/zinc/75/74/36/1025757436.db2.gz SQQMENIMTDRLSH-UHFFFAOYSA-N 2 0 322.437 3.940 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000886646891 1025760502 /nfs/dbraw/zinc/76/05/02/1025760502.db2.gz WTAVZQLKKDSSCQ-WBFXSEPVSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]([NH2+]CCCOC1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924869763 1025882479 /nfs/dbraw/zinc/88/24/79/1025882479.db2.gz PIOINRPIEMIAIK-MRXNPFEDSA-N 2 0 304.478 3.748 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cc(C)ccc1OC ZINC000093403332 1025894346 /nfs/dbraw/zinc/89/43/46/1025894346.db2.gz KXLUTFNJNDHGLY-SJLPKXTDSA-N 2 0 304.478 3.776 20 0 DHADRP CCOC[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411302487 1025926455 /nfs/dbraw/zinc/92/64/55/1025926455.db2.gz FPOUSRBDSGWDRH-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(O)c1 ZINC000194881763 1025981138 /nfs/dbraw/zinc/98/11/38/1025981138.db2.gz SPOHWSQGJOUMEG-MJGOQNOKSA-N 2 0 324.468 3.607 20 0 DHADRP COCC(C)(C)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411758154 1026094642 /nfs/dbraw/zinc/09/46/42/1026094642.db2.gz NDQMNAAWKKSEMM-UHFFFAOYSA-N 2 0 304.478 3.529 20 0 DHADRP COCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245638393 1026109648 /nfs/dbraw/zinc/10/96/48/1026109648.db2.gz AHLXFSLAOWCPCX-OWZKRDHZSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC000245659127 1026115459 /nfs/dbraw/zinc/11/54/59/1026115459.db2.gz FFKMSHBGOZOKCJ-OTNPHJDUSA-N 2 0 321.468 3.928 20 0 DHADRP CCCC[C@@H]([NH2+]CCCc1cncn1C)c1ccc(OC)cc1 ZINC000576169461 1026122207 /nfs/dbraw/zinc/12/22/07/1026122207.db2.gz IMVBPRSKRYSHJH-LJQANCHMSA-N 2 0 315.461 3.882 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1N(C)C ZINC000093941884 1026134518 /nfs/dbraw/zinc/13/45/18/1026134518.db2.gz PXVWANAZTWTYSP-MRXNPFEDSA-N 2 0 311.473 3.665 20 0 DHADRP C[C@@H](c1ccccn1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121799324 1026156037 /nfs/dbraw/zinc/15/60/37/1026156037.db2.gz XVXGFHKAEFNCNP-KRWDZBQOSA-N 2 0 301.478 3.731 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000356865082 1026200639 /nfs/dbraw/zinc/20/06/39/1026200639.db2.gz LBBASZROMXXXGO-CQSZACIVSA-N 2 0 315.436 3.696 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894162048 1026211291 /nfs/dbraw/zinc/21/12/91/1026211291.db2.gz WQYUUUILEUSHIJ-UHFFFAOYSA-N 2 0 323.893 3.912 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000289985456 1026265819 /nfs/dbraw/zinc/26/58/19/1026265819.db2.gz YAKQOXOFJADZGV-CABCVRRESA-N 2 0 308.466 3.562 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571431458 1026281017 /nfs/dbraw/zinc/28/10/17/1026281017.db2.gz HJQVIVLJRWZRLZ-CVEARBPZSA-N 2 0 321.534 3.840 20 0 DHADRP COCCCC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419387277 1026339637 /nfs/dbraw/zinc/33/96/37/1026339637.db2.gz NGLHWVLMBVWANG-UHFFFAOYSA-N 2 0 304.478 3.531 20 0 DHADRP CCCCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)C ZINC000808692552 1026348807 /nfs/dbraw/zinc/34/88/07/1026348807.db2.gz RACRTQRZDAMHIH-GOSISDBHSA-N 2 0 311.558 3.599 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000414183956 1026545109 /nfs/dbraw/zinc/54/51/09/1026545109.db2.gz NNKIBJFWPNBPFB-FUHWJXTLSA-N 2 0 304.478 3.776 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000513673682 1026557787 /nfs/dbraw/zinc/55/77/87/1026557787.db2.gz VTARHVZWEDCAFB-KSZLIROESA-N 2 0 304.503 3.550 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2F)[C@H]2CCC[C@H]21 ZINC000513662761 1026559478 /nfs/dbraw/zinc/55/94/78/1026559478.db2.gz ZOESTRKHEWQXBN-BPQIPLTHSA-N 2 0 322.493 3.521 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000809738968 1026611365 /nfs/dbraw/zinc/61/13/65/1026611365.db2.gz RHRUPZYHVGTMEZ-SFTDATJTSA-N 2 0 308.469 3.984 20 0 DHADRP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cnc1Cl ZINC000809738751 1026611591 /nfs/dbraw/zinc/61/15/91/1026611591.db2.gz IEWIOZCRXIVHAS-UHFFFAOYSA-N 2 0 317.864 3.737 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000513691824 1026634414 /nfs/dbraw/zinc/63/44/14/1026634414.db2.gz WJPPQTHGNYLKHV-OKZBNKHCSA-N 2 0 322.493 3.770 20 0 DHADRP CCCCCC[C@@H](CC)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001170588880 1026635974 /nfs/dbraw/zinc/63/59/74/1026635974.db2.gz VIGYZPNGBNMAEK-LLVKDONJSA-N 2 0 304.529 3.620 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280417862 1026646008 /nfs/dbraw/zinc/64/60/08/1026646008.db2.gz ZBPPONBATWZCLO-IBGZPJMESA-N 2 0 301.478 3.634 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894241170 1026664507 /nfs/dbraw/zinc/66/45/07/1026664507.db2.gz HWSVTLBZUFITOH-UHFFFAOYSA-N 2 0 323.893 3.771 20 0 DHADRP c1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000280534203 1026664958 /nfs/dbraw/zinc/66/49/58/1026664958.db2.gz AEOREQBIUQGJQV-UAPYVXQJSA-N 2 0 307.441 3.586 20 0 DHADRP c1ccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000420296344 1026794952 /nfs/dbraw/zinc/79/49/52/1026794952.db2.gz BMEWTYUHJBBTMK-UTKZUKDTSA-N 2 0 306.453 3.634 20 0 DHADRP Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000420254658 1026795962 /nfs/dbraw/zinc/79/59/62/1026795962.db2.gz GOENSJMPAMWUNT-KGLIPLIRSA-N 2 0 315.848 3.551 20 0 DHADRP Brc1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420298315 1026797912 /nfs/dbraw/zinc/79/79/12/1026797912.db2.gz DXRQVHCCBCXDBH-CJNGLKHVSA-N 2 0 323.278 3.586 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420300337 1026799347 /nfs/dbraw/zinc/79/93/47/1026799347.db2.gz KCFGSQLTTHIOIK-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP Fc1ccccc1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420301219 1026801201 /nfs/dbraw/zinc/80/12/01/1026801201.db2.gz IOCSPXAFWMIIBF-INIZCTEOSA-N 2 0 304.453 3.612 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000420319213 1026802812 /nfs/dbraw/zinc/80/28/12/1026802812.db2.gz XNDQXAHUJQBGSF-AWEZNQCLSA-N 2 0 310.869 3.688 20 0 DHADRP COc1ccc2cc(C[N@H+](C)CC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000420319298 1026803996 /nfs/dbraw/zinc/80/39/96/1026803996.db2.gz PDDZJKCYVHMXPT-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP Brc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420318850 1026804304 /nfs/dbraw/zinc/80/43/04/1026804304.db2.gz PAKBWFBRJPKZRX-BBRMVZONSA-N 2 0 323.278 3.586 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331404 1026805540 /nfs/dbraw/zinc/80/55/40/1026805540.db2.gz QSVXZOPPLHNWMW-KBMXLJTQSA-N 2 0 324.415 3.671 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420370610 1026808420 /nfs/dbraw/zinc/80/84/20/1026808420.db2.gz JTTOBYAZKKGTPJ-CQSZACIVSA-N 2 0 309.523 3.957 20 0 DHADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000420366456 1026808694 /nfs/dbraw/zinc/80/86/94/1026808694.db2.gz FWGYMENIJIAPIW-HKUYNNGSSA-N 2 0 315.505 3.807 20 0 DHADRP Fc1ccc([C@H](CC(F)(F)F)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420374957 1026814164 /nfs/dbraw/zinc/81/41/64/1026814164.db2.gz OLACIQUJSHNSFP-DOMZBBRYSA-N 2 0 318.358 3.799 20 0 DHADRP C[C@H](c1cccc(Br)c1)[N@H+](C)CCCCCC[NH3+] ZINC000710756981 1026950296 /nfs/dbraw/zinc/95/02/96/1026950296.db2.gz ARBSTRLGYODKNS-CYBMUJFWSA-N 2 0 313.283 3.961 20 0 DHADRP Cc1nc2ccc(C[NH2+]C3CCC([NH+](C)C)CC3)cc2s1 ZINC000421377969 1026973011 /nfs/dbraw/zinc/97/30/11/1026973011.db2.gz UUQROSYEZWFQQV-UHFFFAOYSA-N 2 0 303.475 3.567 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000513753930 1027031019 /nfs/dbraw/zinc/03/10/19/1027031019.db2.gz HBDJOUVONDODDI-LRVUVFPRSA-N 2 0 312.404 3.811 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC2CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421827676 1027059412 /nfs/dbraw/zinc/05/94/12/1027059412.db2.gz YWVBARATSXDZMI-IBGZPJMESA-N 2 0 320.452 3.607 20 0 DHADRP COc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)C)c(F)c1 ZINC000421818905 1027065034 /nfs/dbraw/zinc/06/50/34/1027065034.db2.gz DCDNRJXIMTVBAT-ZRGWGRIASA-N 2 0 320.452 3.748 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C2CC2)c(F)c1 ZINC000421855777 1027068156 /nfs/dbraw/zinc/06/81/56/1027068156.db2.gz MYLPJJDCJOHQKX-IBGZPJMESA-N 2 0 320.452 3.749 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCCCC1 ZINC000421839564 1027073238 /nfs/dbraw/zinc/07/32/38/1027073238.db2.gz XPDNBTUPPGHYCD-OAHLLOKOSA-N 2 0 322.468 3.715 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)ccc1SC ZINC000421892524 1027082665 /nfs/dbraw/zinc/08/26/65/1027082665.db2.gz ZHUJFBDEEUMRCP-IUDNXUCKSA-N 2 0 322.518 3.941 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4s3)C2)C1 ZINC000571302263 1027117485 /nfs/dbraw/zinc/11/74/85/1027117485.db2.gz JSEYQQCCWCYWFW-SFHVURJKSA-N 2 0 300.471 3.819 20 0 DHADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000561955060 1027141868 /nfs/dbraw/zinc/14/18/68/1027141868.db2.gz OVOANQDZNMILJP-AZUAARDMSA-N 2 0 302.506 3.823 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000271855896 1027163949 /nfs/dbraw/zinc/16/39/49/1027163949.db2.gz JLPFTZGMLXDJOH-INIZCTEOSA-N 2 0 307.441 3.661 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000271852979 1027164784 /nfs/dbraw/zinc/16/47/84/1027164784.db2.gz IYVFUYDDFSYYRI-GFCCVEGCSA-N 2 0 312.429 3.914 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271864809 1027168336 /nfs/dbraw/zinc/16/83/36/1027168336.db2.gz LFVKQFUYHCKPFD-CYBMUJFWSA-N 2 0 308.853 3.651 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663544 1027190035 /nfs/dbraw/zinc/19/00/35/1027190035.db2.gz FBISSFWKCGRGNS-RHSMWYFYSA-N 2 0 324.459 3.922 20 0 DHADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000572355561 1027197354 /nfs/dbraw/zinc/19/73/54/1027197354.db2.gz DEPJFWXVNSOSKK-APWZRJJASA-N 2 0 318.505 3.558 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(C[NH+](C)C)c1 ZINC000924946210 1027229167 /nfs/dbraw/zinc/22/91/67/1027229167.db2.gz QEDVYZHAJJNQID-INIZCTEOSA-N 2 0 311.473 3.665 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ncsc2c1 ZINC000362515283 1027258800 /nfs/dbraw/zinc/25/88/00/1027258800.db2.gz FTFJHBINXPJMNR-CFVMTHIKSA-N 2 0 301.459 3.574 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC1Cc2ccccc2C1 ZINC000573145470 1027265198 /nfs/dbraw/zinc/26/51/98/1027265198.db2.gz FZFAAYAFHDUCJM-KRWDZBQOSA-N 2 0 300.490 3.646 20 0 DHADRP C[C@@H]1C[C@H](C)N(Cc2cnc(-c3cccs3)s2)C[C@@H]1C[NH3+] ZINC000422565403 1027285042 /nfs/dbraw/zinc/28/50/42/1027285042.db2.gz YXUUSIVBZVGWBU-AGIUHOORSA-N 2 0 321.515 3.677 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924955581 1027289824 /nfs/dbraw/zinc/28/98/24/1027289824.db2.gz PDGRUWNORSZHNC-ICSRJNTNSA-N 2 0 315.505 3.504 20 0 DHADRP CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422700586 1027297587 /nfs/dbraw/zinc/29/75/87/1027297587.db2.gz AHIPPDNDHHNPOM-CRAIPNDOSA-N 2 0 311.473 3.911 20 0 DHADRP CC(C)CC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732061 1027299065 /nfs/dbraw/zinc/29/90/65/1027299065.db2.gz NFOBFLQBKMENAW-IEZWGBDMSA-N 2 0 302.462 3.657 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCOCCc2ccccc2)c2ccccc21 ZINC000422724284 1027305419 /nfs/dbraw/zinc/30/54/19/1027305419.db2.gz VGDGYSXSDXVPPO-NHCUHLMSSA-N 2 0 324.468 3.760 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCSCc1cccc2ccccc21 ZINC000422758574 1027305864 /nfs/dbraw/zinc/30/58/64/1027305864.db2.gz KKSTUQBHCOREEJ-HUUCEWRRSA-N 2 0 302.487 3.788 20 0 DHADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422727605 1027306356 /nfs/dbraw/zinc/30/63/56/1027306356.db2.gz HNXVRADDYDMVCJ-BEVDRBHNSA-N 2 0 323.484 3.850 20 0 DHADRP COc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422741327 1027309831 /nfs/dbraw/zinc/30/98/31/1027309831.db2.gz POKDUQNBNPHXFT-VAMGGRTRSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccs1 ZINC000422746767 1027310230 /nfs/dbraw/zinc/31/02/30/1027310230.db2.gz XIEROROMWZRAAF-HOCLYGCPSA-N 2 0 302.487 3.574 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000422739924 1027310917 /nfs/dbraw/zinc/31/09/17/1027310917.db2.gz ASRRMVQYGRZNRM-JQWIXIFHSA-N 2 0 305.372 3.539 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741374 1027312241 /nfs/dbraw/zinc/31/22/41/1027312241.db2.gz DJBSSWIQPRFTER-LRQRDZAKSA-N 2 0 322.452 3.902 20 0 DHADRP CCC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422767391 1027312724 /nfs/dbraw/zinc/31/27/24/1027312724.db2.gz MWOXEROQZDDQST-KFPRQRBHSA-N 2 0 322.537 3.728 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000422772669 1027313460 /nfs/dbraw/zinc/31/34/60/1027313460.db2.gz XLQNKSRDJYHYBA-MDKPJZGXSA-N 2 0 323.484 3.911 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422783059 1027318836 /nfs/dbraw/zinc/31/88/36/1027318836.db2.gz MOYTYYQVSMQEPQ-RTBURBONSA-N 2 0 305.425 3.753 20 0 DHADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422778094 1027320699 /nfs/dbraw/zinc/32/06/99/1027320699.db2.gz ABEPHPXWSOXBMF-VBSBHUPXSA-N 2 0 316.489 3.663 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@H](C)CCCC[NH3+])cc2)c1 ZINC000422786218 1027321171 /nfs/dbraw/zinc/32/11/71/1027321171.db2.gz KJWYILPYRNMUSQ-MRXNPFEDSA-N 2 0 312.457 3.969 20 0 DHADRP c1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422763404 1027321631 /nfs/dbraw/zinc/32/16/31/1027321631.db2.gz NNMBHXBSHYOQPJ-JKWVGCSGSA-N 2 0 306.453 3.843 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422795223 1027321771 /nfs/dbraw/zinc/32/17/71/1027321771.db2.gz ZTUFGBAXAJEGLF-STQMWFEESA-N 2 0 314.395 3.843 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000422787208 1027321932 /nfs/dbraw/zinc/32/19/32/1027321932.db2.gz RKMFNSKYURSOQW-PXNSSMCTSA-N 2 0 312.457 3.662 20 0 DHADRP C[C@H](OCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422794658 1027322295 /nfs/dbraw/zinc/32/22/95/1027322295.db2.gz ZHHUUHYACAJXSO-YSSFQJQWSA-N 2 0 310.441 3.889 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786019 1027323920 /nfs/dbraw/zinc/32/39/20/1027323920.db2.gz NZBRBCBAONTHET-IJXRJRJASA-N 2 0 316.489 3.665 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422795221 1027324082 /nfs/dbraw/zinc/32/40/82/1027324082.db2.gz ZTUFGBAXAJEGLF-OLZOCXBDSA-N 2 0 314.395 3.843 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422794654 1027324411 /nfs/dbraw/zinc/32/44/11/1027324411.db2.gz ZHHUUHYACAJXSO-CWFSZBLJSA-N 2 0 310.441 3.889 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2)cs1 ZINC000422800913 1027325871 /nfs/dbraw/zinc/32/58/71/1027325871.db2.gz DFWAGJFIOGNPPY-UPJWGTAASA-N 2 0 303.475 3.895 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422803935 1027325901 /nfs/dbraw/zinc/32/59/01/1027325901.db2.gz DOHTYCVHDYCMPM-ANULTFPQSA-N 2 0 322.452 3.950 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422803277 1027326335 /nfs/dbraw/zinc/32/63/35/1027326335.db2.gz IWJOBVQYANCVKW-LRQRDZAKSA-N 2 0 308.469 3.655 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422801959 1027328872 /nfs/dbraw/zinc/32/88/72/1027328872.db2.gz CRWQTVCPOGANLT-FYQPLNBISA-N 2 0 316.489 3.583 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422814953 1027330976 /nfs/dbraw/zinc/33/09/76/1027330976.db2.gz WNWOTGSJWANSHT-HYJFEMIMSA-N 2 0 314.473 3.801 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422847316 1027338876 /nfs/dbraw/zinc/33/88/76/1027338876.db2.gz RDWZGBJXLCZYLQ-GBESFXJTSA-N 2 0 316.464 3.758 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422847694 1027339656 /nfs/dbraw/zinc/33/96/56/1027339656.db2.gz RVSVXCBRIDXTDD-QAPCUYQASA-N 2 0 323.912 3.584 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422860063 1027341504 /nfs/dbraw/zinc/34/15/04/1027341504.db2.gz KZZLVAMOBGEVBE-MSOLQXFVSA-N 3 0 317.521 3.668 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]CC3)c(C)c2c1 ZINC000422857920 1027342773 /nfs/dbraw/zinc/34/27/73/1027342773.db2.gz HPNBHARPRCQXIN-ZIAGYGMSSA-N 2 0 302.418 3.543 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCCCC1)C1C[NH2+]C1 ZINC000422865111 1027343425 /nfs/dbraw/zinc/34/34/25/1027343425.db2.gz XGBLGKYHPAHGIV-CQSZACIVSA-N 2 0 306.881 3.739 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]C3CCC(C[NH3+])CC3)c(C)c2c1 ZINC000422861587 1027344317 /nfs/dbraw/zinc/34/43/17/1027344317.db2.gz OMUAYBZMXORFAT-WLYUNCDWSA-N 2 0 316.445 3.918 20 0 DHADRP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422843622 1027348201 /nfs/dbraw/zinc/34/82/01/1027348201.db2.gz IYUYKQXDYAGYLR-ZFVVBOAOSA-N 2 0 320.477 3.873 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422885570 1027350035 /nfs/dbraw/zinc/35/00/35/1027350035.db2.gz GZURFKFZHBCXED-STQMWFEESA-N 2 0 315.486 3.685 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422888906 1027351818 /nfs/dbraw/zinc/35/18/18/1027351818.db2.gz OGBFBTZLXFZACW-CQSZACIVSA-N 2 0 317.408 3.620 20 0 DHADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422875083 1027355403 /nfs/dbraw/zinc/35/54/03/1027355403.db2.gz BQWQQHRHBRAQGW-JKSUJKDBSA-N 2 0 323.912 3.582 20 0 DHADRP Cc1ccccc1C1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422906609 1027356427 /nfs/dbraw/zinc/35/64/27/1027356427.db2.gz VMSNVVDXDGJMFK-FXAWDEMLSA-N 2 0 308.469 3.575 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2cccc(C)c2)c1 ZINC000422907239 1027356866 /nfs/dbraw/zinc/35/68/66/1027356866.db2.gz LEKMDLCJHRJIOU-FQEVSTJZSA-N 2 0 312.457 3.506 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422908440 1027357495 /nfs/dbraw/zinc/35/74/95/1027357495.db2.gz YPDAEUZGUCAZTM-PWSUYJOCSA-N 2 0 309.866 3.557 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1C(F)(F)F ZINC000422927197 1027362748 /nfs/dbraw/zinc/36/27/48/1027362748.db2.gz YHPYEGYUKNPRTL-HIFPTAJRSA-N 2 0 300.368 3.874 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000422921852 1027362765 /nfs/dbraw/zinc/36/27/65/1027362765.db2.gz PGBKZWLIBBMSDI-YOFSQIOKSA-N 2 0 322.452 3.735 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930740 1027364484 /nfs/dbraw/zinc/36/44/84/1027364484.db2.gz VSUZJNJUCLKWMD-NEPJUHHUSA-N 2 0 304.356 3.753 20 0 DHADRP CC(C)CC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422928334 1027364656 /nfs/dbraw/zinc/36/46/56/1027364656.db2.gz KBENPCBDBMQXPC-XLIONFOSSA-N 2 0 314.473 3.658 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422942979 1027368734 /nfs/dbraw/zinc/36/87/34/1027368734.db2.gz LBTHZISHANMNSK-IAPLGRFXSA-N 2 0 318.464 3.753 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422946494 1027377250 /nfs/dbraw/zinc/37/72/50/1027377250.db2.gz OXEXLYZYOPJYEZ-RISCZKNCSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccc(C(C)(C)C)cc2)CCC1)C1C[NH2+]C1 ZINC000422949151 1027375944 /nfs/dbraw/zinc/37/59/44/1027375944.db2.gz UESSKOQOPXJZCP-HNNXBMFYSA-N 2 0 300.490 3.603 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000422944594 1027377179 /nfs/dbraw/zinc/37/71/79/1027377179.db2.gz ZYOSBUVNAULDKG-KZULUSFZSA-N 2 0 315.848 3.840 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170684305 1027377430 /nfs/dbraw/zinc/37/74/30/1027377430.db2.gz CAMZRXBJQQEMDC-YOEHRIQHSA-N 2 0 322.443 3.663 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422951061 1027378494 /nfs/dbraw/zinc/37/84/94/1027378494.db2.gz XGUYMHIEBLNCNM-ZNMIVQPWSA-N 2 0 308.466 3.651 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1Cl ZINC000422955460 1027378599 /nfs/dbraw/zinc/37/85/99/1027378599.db2.gz LYOKNBOEYZTYCQ-SCLBCKFNSA-N 2 0 320.839 3.570 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)c2ccccc21 ZINC000422955797 1027379466 /nfs/dbraw/zinc/37/94/66/1027379466.db2.gz NLKQZQYTBGBDTK-IAGOWNOFSA-N 2 0 304.796 3.756 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422955841 1027380132 /nfs/dbraw/zinc/38/01/32/1027380132.db2.gz NTAYDFBFABSONU-GTHQTRTESA-N 2 0 311.256 3.853 20 0 DHADRP Fc1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422988453 1027381591 /nfs/dbraw/zinc/38/15/91/1027381591.db2.gz KNBDAKQCFJNTND-IPMKNSEASA-N 2 0 316.464 3.659 20 0 DHADRP CCCOc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422993138 1027383360 /nfs/dbraw/zinc/38/33/60/1027383360.db2.gz SLBLDPCSKOMZIN-ZCNNSNEGSA-N 2 0 316.489 3.528 20 0 DHADRP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000840 1027385228 /nfs/dbraw/zinc/38/52/28/1027385228.db2.gz VTJFWKPCAPHTHH-UMAFKHPFSA-N 2 0 314.473 3.558 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1 ZINC000422981142 1027386969 /nfs/dbraw/zinc/38/69/69/1027386969.db2.gz NKFDHNWONDINGC-NLPFYKDJSA-N 2 0 316.489 3.578 20 0 DHADRP c1csc([C@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422980963 1027388372 /nfs/dbraw/zinc/38/83/72/1027388372.db2.gz NBNNOLBYIMYVLJ-WFFDWFOESA-N 2 0 312.482 3.905 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423016029 1027389878 /nfs/dbraw/zinc/38/98/78/1027389878.db2.gz ATOHQVKTYMGOSS-CABCVRRESA-N 2 0 323.550 3.884 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000423014250 1027390430 /nfs/dbraw/zinc/39/04/30/1027390430.db2.gz ONHLCAXNCFDHIG-JKSUJKDBSA-N 2 0 324.468 3.894 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423012110 1027391022 /nfs/dbraw/zinc/39/10/22/1027391022.db2.gz CJXNFIZPBBAREY-NHYWBVRUSA-N 2 0 300.368 3.874 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423046849 1027393271 /nfs/dbraw/zinc/39/32/71/1027393271.db2.gz GDNFFAMMKXIOMQ-ZDUSSCGKSA-N 2 0 323.440 3.797 20 0 DHADRP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423024559 1027398016 /nfs/dbraw/zinc/39/80/16/1027398016.db2.gz MATLWGTYUSJAPU-IHRRRGAJSA-N 2 0 314.395 3.929 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000423030708 1027398397 /nfs/dbraw/zinc/39/83/97/1027398397.db2.gz UESXSTCGJOAMEP-PXCJXSSVSA-N 2 0 308.853 3.661 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423043364 1027400674 /nfs/dbraw/zinc/40/06/74/1027400674.db2.gz ORLCKVXUOOWTPN-IPYPFGDCSA-N 2 0 314.395 3.614 20 0 DHADRP COCC[C@H](N[C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccc(C)o1 ZINC000423043977 1027400768 /nfs/dbraw/zinc/40/07/68/1027400768.db2.gz QHORRZMQDXYMGL-XIRDDKMYSA-N 2 0 308.466 3.566 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000423039178 1027401528 /nfs/dbraw/zinc/40/15/28/1027401528.db2.gz DVJRWUPCFXBVMD-FPCQFERPSA-N 2 0 302.437 3.869 20 0 DHADRP CC1(C)CCC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423063026 1027404343 /nfs/dbraw/zinc/40/43/43/1027404343.db2.gz VIRTXQGXWIJNGE-RIFZZMRRSA-N 2 0 314.473 3.801 20 0 DHADRP CC(C)C(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423055610 1027405145 /nfs/dbraw/zinc/40/51/45/1027405145.db2.gz DMOARQMUMLCOGV-VQIMIIECSA-N 2 0 302.462 3.514 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000423074358 1027406298 /nfs/dbraw/zinc/40/62/98/1027406298.db2.gz LITGTJRARWVUEU-MNOVXSKESA-N 2 0 303.372 3.620 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423052136 1027407546 /nfs/dbraw/zinc/40/75/46/1027407546.db2.gz PUSGZPDABUUPID-ZWKOTPCHSA-N 2 0 310.485 3.803 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079533 1027409644 /nfs/dbraw/zinc/40/96/44/1027409644.db2.gz QVBZXKPZJPNWLZ-NXEZZACHSA-N 2 0 314.260 3.733 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423079525 1027411891 /nfs/dbraw/zinc/41/18/91/1027411891.db2.gz AMFLRHWXXSAGQC-ZIAGYGMSSA-N 2 0 313.272 3.885 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098641 1027415461 /nfs/dbraw/zinc/41/54/61/1027415461.db2.gz DAOHEEIWSPHFLV-JKSUJKDBSA-N 2 0 305.853 3.544 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423119478 1027417432 /nfs/dbraw/zinc/41/74/32/1027417432.db2.gz CMXMLPZZETZXBA-DZGCQCFKSA-N 2 0 302.384 3.515 20 0 DHADRP CCc1nc2cc(C[NH2+][C@H](C)CCCC[NH3+])ccc2n1C1CC1 ZINC000423117453 1027418362 /nfs/dbraw/zinc/41/83/62/1027418362.db2.gz VPFCOOQAGSVUTG-CQSZACIVSA-N 2 0 314.477 3.541 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000423125784 1027420983 /nfs/dbraw/zinc/42/09/83/1027420983.db2.gz AFXQFIONHJWATB-GHMZBOCLSA-N 2 0 317.246 3.756 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000423125929 1027421204 /nfs/dbraw/zinc/42/12/04/1027421204.db2.gz IMNRSLGZOSBAKG-LDDOYCOJSA-N 2 0 322.518 3.651 20 0 DHADRP CC(C)(CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423130246 1027425250 /nfs/dbraw/zinc/42/52/50/1027425250.db2.gz GIAQRGGJNDVSAW-YLJYHZDGSA-N 2 0 314.473 3.658 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]C2CC[NH2+]CC2)C2CCC2)c1 ZINC000423106164 1027425824 /nfs/dbraw/zinc/42/58/24/1027425824.db2.gz OLFAQUUCNRIDJR-MRXNPFEDSA-N 2 0 312.379 3.888 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423114064 1027428324 /nfs/dbraw/zinc/42/83/24/1027428324.db2.gz LFAJQIYBTWQGHP-UEKVPHQBSA-N 2 0 300.368 3.872 20 0 DHADRP c1cc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423113506 1027428421 /nfs/dbraw/zinc/42/84/21/1027428421.db2.gz YIKHDOVUWYNBLR-YZGWKJHDSA-N 2 0 311.473 3.611 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000423151954 1027430930 /nfs/dbraw/zinc/43/09/30/1027430930.db2.gz KXVZHXNODWEWOE-SJORKVTESA-N 2 0 320.795 3.592 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423149647 1027431599 /nfs/dbraw/zinc/43/15/99/1027431599.db2.gz ASELIRINEWWMCH-BVWQNDCPSA-N 2 0 323.278 3.569 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423150650 1027432240 /nfs/dbraw/zinc/43/22/40/1027432240.db2.gz BPBCMLKZYWNPAJ-LSDHHAIUSA-N 2 0 317.260 3.622 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423149185 1027432538 /nfs/dbraw/zinc/43/25/38/1027432538.db2.gz XKZFXAUQBAXSKC-OAGGEKHMSA-N 2 0 304.503 3.776 20 0 DHADRP COc1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1Cl ZINC000423140490 1027434615 /nfs/dbraw/zinc/43/46/15/1027434615.db2.gz YQQLVHPRWSYWAK-SJORKVTESA-N 2 0 316.832 3.626 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1(C2CCC2)CCC1 ZINC000423173110 1027437817 /nfs/dbraw/zinc/43/78/17/1027437817.db2.gz WYADDQRQGROUGU-HKUYNNGSSA-N 2 0 312.457 3.555 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH3+])CCCCC1 ZINC000423178150 1027443131 /nfs/dbraw/zinc/44/31/31/1027443131.db2.gz KITLLJPKDYVNGB-ZDUSSCGKSA-N 2 0 314.395 3.888 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000423207346 1027445201 /nfs/dbraw/zinc/44/52/01/1027445201.db2.gz COPHSDFALPBCHG-UYSNPLJNSA-N 2 0 323.278 3.760 20 0 DHADRP C[NH2+]CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423206935 1027445399 /nfs/dbraw/zinc/44/53/99/1027445399.db2.gz XHJLZEQAFJBPKP-OAHLLOKOSA-N 2 0 308.878 3.884 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423207370 1027445429 /nfs/dbraw/zinc/44/54/29/1027445429.db2.gz GWQPSLSIWHCCSW-RXVVDRJESA-N 2 0 324.468 3.568 20 0 DHADRP COC1CCN(C2(C[NH2+]C3CCC4(CC4)CC3)CCCC2)CC1 ZINC000362923864 1027446457 /nfs/dbraw/zinc/44/64/57/1027446457.db2.gz VFONDGOLBFNQSM-UHFFFAOYSA-N 2 0 320.521 3.722 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000423211925 1027448435 /nfs/dbraw/zinc/44/84/35/1027448435.db2.gz HWFLJELJZSJBGF-MELADBBJSA-N 2 0 312.404 3.635 20 0 DHADRP COc1cccc(C[C@H]([NH2+]CC2([NH3+])CCCCCC2)C2CC2)c1 ZINC000423199658 1027453825 /nfs/dbraw/zinc/45/38/25/1027453825.db2.gz KJTVMWVGKYGNFF-IBGZPJMESA-N 2 0 316.489 3.658 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OCC ZINC000423238684 1027454884 /nfs/dbraw/zinc/45/48/84/1027454884.db2.gz AOZHLEYJNXPYFF-DOTOQJQBSA-N 2 0 320.477 3.524 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423234780 1027456733 /nfs/dbraw/zinc/45/67/33/1027456733.db2.gz QFGPMOWHPLILNF-SSDMNJCBSA-N 2 0 316.367 3.896 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423218482 1027462701 /nfs/dbraw/zinc/46/27/01/1027462701.db2.gz VRGAPBIRWOGUNG-LALPHHSUSA-N 2 0 323.278 3.587 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220363 1027463298 /nfs/dbraw/zinc/46/32/98/1027463298.db2.gz YGTWAFWRONSLAT-UKRRQHHQSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423226555 1027466288 /nfs/dbraw/zinc/46/62/88/1027466288.db2.gz RDXZTJLGBBOJBD-TUKIKUTGSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423227186 1027466391 /nfs/dbraw/zinc/46/63/91/1027466391.db2.gz UTDNMTOFIOFHJF-JSGCOSHPSA-N 2 0 301.459 3.514 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423247245 1027474830 /nfs/dbraw/zinc/47/48/30/1027474830.db2.gz KWAOWDXPJSQBNB-MNOVXSKESA-N 2 0 318.795 3.592 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000423252104 1027474943 /nfs/dbraw/zinc/47/49/43/1027474943.db2.gz TXMVLFNBBQKNIS-QZTJIDSGSA-N 2 0 308.469 3.796 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCS2 ZINC000423251679 1027476016 /nfs/dbraw/zinc/47/60/16/1027476016.db2.gz SIVBHTTXORHZAN-DOMZBBRYSA-N 2 0 310.894 3.856 20 0 DHADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423259690 1027477844 /nfs/dbraw/zinc/47/78/44/1027477844.db2.gz FOFGEPPVHYIWSB-JSGCOSHPSA-N 2 0 318.383 3.652 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423255299 1027478727 /nfs/dbraw/zinc/47/87/27/1027478727.db2.gz BONCRCFJUPHRKN-UWJYYQICSA-N 2 0 324.468 3.764 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423255545 1027479552 /nfs/dbraw/zinc/47/95/52/1027479552.db2.gz CDQIUQFXHZAYKE-QLFBSQMISA-N 2 0 317.502 3.768 20 0 DHADRP COc1ccc2c(c1)[C@H](N[C@@H](C[NH3+])C1CCCCC1)CCS2 ZINC000423260706 1027480198 /nfs/dbraw/zinc/48/01/98/1027480198.db2.gz IDVQCSIJABEZCJ-SJORKVTESA-N 2 0 320.502 3.729 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc(Cl)c1 ZINC000423289685 1027481888 /nfs/dbraw/zinc/48/18/88/1027481888.db2.gz BNKBYSVLLNMHTM-ACJLOTCBSA-N 2 0 318.848 3.837 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCCS2 ZINC000423282796 1027484093 /nfs/dbraw/zinc/48/40/93/1027484093.db2.gz WYPSRAVJDFTMCE-WMLDXEAASA-N 2 0 320.502 3.602 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423292688 1027485718 /nfs/dbraw/zinc/48/57/18/1027485718.db2.gz NYQVMMPZQMGULL-ZIAGYGMSSA-N 2 0 314.429 3.574 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423272638 1027489896 /nfs/dbraw/zinc/48/98/96/1027489896.db2.gz JZGLLEZJFZBZTE-FVQBIDKESA-N 2 0 314.395 3.914 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]CC2([NH3+])CCC2)ccc1Cl ZINC000423315015 1027495726 /nfs/dbraw/zinc/49/57/26/1027495726.db2.gz ADRRTABYFNLSDQ-CQSZACIVSA-N 2 0 310.869 3.667 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000423315764 1027495965 /nfs/dbraw/zinc/49/59/65/1027495965.db2.gz AHQWOACAGMSFGZ-GFCCVEGCSA-N 2 0 316.367 3.626 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423319020 1027499296 /nfs/dbraw/zinc/49/92/96/1027499296.db2.gz LJMCVUGTEZWBMQ-OXJNMPFZSA-N 2 0 316.489 3.680 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423318258 1027499760 /nfs/dbraw/zinc/49/97/60/1027499760.db2.gz DIUODNGSBPPEFW-CABCVRRESA-N 2 0 300.368 3.670 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956305 1027500508 /nfs/dbraw/zinc/50/05/08/1027500508.db2.gz MQSYMPXZYZMROT-AOUJJNKBSA-N 2 0 302.437 3.664 20 0 DHADRP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423294957 1027503689 /nfs/dbraw/zinc/50/36/89/1027503689.db2.gz VVLAFAHWQWKWTG-KGLIPLIRSA-N 2 0 314.429 3.574 20 0 DHADRP Clc1cccc(CC2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000562569254 1027506216 /nfs/dbraw/zinc/50/62/16/1027506216.db2.gz GKJROKABBFHLSW-UHFFFAOYSA-N 2 0 318.892 3.879 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423342954 1027507270 /nfs/dbraw/zinc/50/72/70/1027507270.db2.gz LDYYWTVIBBZLSG-INIZCTEOSA-N 2 0 302.462 3.682 20 0 DHADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000423326198 1027509331 /nfs/dbraw/zinc/50/93/31/1027509331.db2.gz QTJHVGARVWHFND-FVQBIDKESA-N 2 0 312.379 3.668 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423328868 1027511317 /nfs/dbraw/zinc/51/13/17/1027511317.db2.gz MIFXIRFVEREKER-APWZRJJASA-N 2 0 304.478 3.762 20 0 DHADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423332943 1027513567 /nfs/dbraw/zinc/51/35/67/1027513567.db2.gz HMZPQWCYFBTEGA-CRAIPNDOSA-N 2 0 316.489 3.705 20 0 DHADRP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423351279 1027516306 /nfs/dbraw/zinc/51/63/06/1027516306.db2.gz HSWPAEDKVURDOI-IRXDYDNUSA-N 2 0 324.390 3.851 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423354287 1027516966 /nfs/dbraw/zinc/51/69/66/1027516966.db2.gz NETAHWJZRBFXCM-RDJZCZTQSA-N 2 0 324.390 3.851 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(SCC(F)F)cc1 ZINC000423354281 1027518289 /nfs/dbraw/zinc/51/82/89/1027518289.db2.gz CPMUAVWYZKXMJB-GXTWGEPZSA-N 2 0 314.445 3.837 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423340937 1027518455 /nfs/dbraw/zinc/51/84/55/1027518455.db2.gz WBKVXBNIKLPFRI-UONOGXRCSA-N 2 0 317.502 3.768 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)cc1 ZINC000423372264 1027518624 /nfs/dbraw/zinc/51/86/24/1027518624.db2.gz HAXWUUNJTLZOGS-WSTZPKSXSA-N 2 0 310.441 3.644 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356643 1027521152 /nfs/dbraw/zinc/52/11/52/1027521152.db2.gz HBCMDDGPNRFTPV-HZSPNIEDSA-N 2 0 303.475 3.520 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000423368952 1027524317 /nfs/dbraw/zinc/52/43/17/1027524317.db2.gz BLQJQANUGMCKOQ-NFAWXSAZSA-N 2 0 310.869 3.918 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423369380 1027525013 /nfs/dbraw/zinc/52/50/13/1027525013.db2.gz BVURZJLYQJCOHD-WOSRLPQWSA-N 2 0 314.395 3.757 20 0 DHADRP CCCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423381990 1027527713 /nfs/dbraw/zinc/52/77/13/1027527713.db2.gz DDYYATFTSNIRHI-BXWFABGCSA-N 2 0 304.478 3.904 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423377149 1027528609 /nfs/dbraw/zinc/52/86/09/1027528609.db2.gz DZKOUNXSYHZHJT-HUUCEWRRSA-N 2 0 301.478 3.812 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc(Br)c1 ZINC000423401273 1027531918 /nfs/dbraw/zinc/53/19/18/1027531918.db2.gz XCPKAKBCHREGGE-CQDKDKBSSA-N 2 0 311.267 3.630 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423395651 1027532886 /nfs/dbraw/zinc/53/28/86/1027532886.db2.gz NIWWASLIZQIFSK-MAZHCROVSA-N 2 0 314.395 3.990 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423393519 1027533727 /nfs/dbraw/zinc/53/37/27/1027533727.db2.gz MJUFQLNFJBXFHW-HFBAOOFYSA-N 2 0 312.379 3.744 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423394781 1027534967 /nfs/dbraw/zinc/53/49/67/1027534967.db2.gz SIRIPJNGZXZAQF-IEZWGBDMSA-N 2 0 304.478 3.903 20 0 DHADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2cccc(Br)c21 ZINC000423401780 1027535156 /nfs/dbraw/zinc/53/51/56/1027535156.db2.gz XJIPWEMOJJAHKW-FUTJPDQTSA-N 2 0 323.278 3.728 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423424267 1027537261 /nfs/dbraw/zinc/53/72/61/1027537261.db2.gz FPHDWAGOJIOIMA-KOLCDFICSA-N 2 0 317.296 3.605 20 0 DHADRP CC[C@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](CC)C3)c2)C1 ZINC000575986956 1027540289 /nfs/dbraw/zinc/54/02/89/1027540289.db2.gz FEHOVZZUGQGFBH-IRXDYDNUSA-N 2 0 301.478 3.545 20 0 DHADRP COCC1(C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC[NH2+]CC1 ZINC000423412507 1027541459 /nfs/dbraw/zinc/54/14/59/1027541459.db2.gz WXOPGIRJMONSKI-IBGZPJMESA-N 2 0 316.489 3.524 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423448490 1027544532 /nfs/dbraw/zinc/54/45/32/1027544532.db2.gz FHMYUQWDBVFSMG-HNAYVOBHSA-N 2 0 300.421 3.827 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H](C)CCC[NH3+])cc1F ZINC000423444026 1027544615 /nfs/dbraw/zinc/54/46/15/1027544615.db2.gz AUCCMXFKFAYKRH-UKPHBRMFSA-N 2 0 308.441 3.578 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423444270 1027545611 /nfs/dbraw/zinc/54/56/11/1027545611.db2.gz WOPUOOFPKHFZNF-CHWSQXEVSA-N 2 0 300.393 3.765 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427505 1027546939 /nfs/dbraw/zinc/54/69/39/1027546939.db2.gz FUALGXOFFUPLME-AFAVFJNCSA-N 2 0 322.880 3.777 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423428241 1027547940 /nfs/dbraw/zinc/54/79/40/1027547940.db2.gz GHNXMBBZLGUGCN-QXAKKESOSA-N 2 0 318.892 3.639 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1OC(F)F ZINC000423433247 1027550724 /nfs/dbraw/zinc/55/07/24/1027550724.db2.gz WSVWRWOCABKXMG-MGPQQGTHSA-N 2 0 312.404 3.704 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423462393 1027555167 /nfs/dbraw/zinc/55/51/67/1027555167.db2.gz PBVFFPIKARKRBT-UINKAMIRSA-N 2 0 320.864 3.659 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423461221 1027555183 /nfs/dbraw/zinc/55/51/83/1027555183.db2.gz SPPVHIAKPVYSSU-NOZJJQNGSA-N 2 0 317.296 3.679 20 0 DHADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423471430 1027557352 /nfs/dbraw/zinc/55/73/52/1027557352.db2.gz FEZGVMXSQNASOG-MJGOQNOKSA-N 2 0 314.473 3.511 20 0 DHADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423469995 1027557785 /nfs/dbraw/zinc/55/77/85/1027557785.db2.gz ZCPCIMPYXQDKQY-KGLIPLIRSA-N 2 0 317.502 3.820 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423477404 1027561360 /nfs/dbraw/zinc/56/13/60/1027561360.db2.gz TZFKCOQASUXNAC-HTTKSJEASA-N 2 0 300.368 3.667 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423473941 1027561735 /nfs/dbraw/zinc/56/17/35/1027561735.db2.gz HAKIIOHZUDAQLJ-HOCLYGCPSA-N 2 0 308.853 3.676 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000423477226 1027561766 /nfs/dbraw/zinc/56/17/66/1027561766.db2.gz RTRYWISENPBMNW-YRNRMSPPSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423476199 1027561974 /nfs/dbraw/zinc/56/19/74/1027561974.db2.gz IPINLEAXKPTKRD-HOCLYGCPSA-N 2 0 315.486 3.993 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423480995 1027563655 /nfs/dbraw/zinc/56/36/55/1027563655.db2.gz WLPWKCFCJHKBAH-NFAWXSAZSA-N 2 0 314.395 3.744 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423501592 1027564877 /nfs/dbraw/zinc/56/48/77/1027564877.db2.gz CXNRNPNNMFIGJB-RBUKOAKNSA-N 2 0 310.441 3.839 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]CCC[C@H]3CCC[NH2+]3)oc21 ZINC000423487584 1027569809 /nfs/dbraw/zinc/56/98/09/1027569809.db2.gz UKTZDHOUWHXVRI-HIFRSBDPSA-N 2 0 302.418 3.624 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000423493729 1027575345 /nfs/dbraw/zinc/57/53/45/1027575345.db2.gz QXNNKNLZDWJRMZ-XUJVJEKNSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423537344 1027583984 /nfs/dbraw/zinc/58/39/84/1027583984.db2.gz JXALACGHTGVORA-ZIAGYGMSSA-N 2 0 315.486 3.688 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423537157 1027584823 /nfs/dbraw/zinc/58/48/23/1027584823.db2.gz BVVZBQBEBJCCKR-XOYOTBSWSA-N 2 0 302.462 3.514 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423547364 1027586078 /nfs/dbraw/zinc/58/60/78/1027586078.db2.gz PVCQYASBNQBZQW-SPWCGHHHSA-N 2 0 307.507 3.614 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546065 1027587211 /nfs/dbraw/zinc/58/72/11/1027587211.db2.gz YLHUAFFSQAWBEZ-LJQANCHMSA-N 2 0 309.457 3.753 20 0 DHADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423554599 1027587247 /nfs/dbraw/zinc/58/72/47/1027587247.db2.gz WXVRUEPEPRBACO-QSUVIHHLSA-N 2 0 312.501 3.766 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000576444365 1027615246 /nfs/dbraw/zinc/61/52/46/1027615246.db2.gz LDFUCTXTAKUUSY-UHFFFAOYSA-N 2 0 315.505 3.514 20 0 DHADRP c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)C2CCC2)cc1 ZINC000576761201 1027656615 /nfs/dbraw/zinc/65/66/15/1027656615.db2.gz CKTXUWHLNUAVTN-OAQYLSRUSA-N 2 0 306.453 3.963 20 0 DHADRP FC1(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000527519313 1027743026 /nfs/dbraw/zinc/74/30/26/1027743026.db2.gz RWPZHEZGJCTAHV-UHFFFAOYSA-N 2 0 318.480 3.813 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000577306088 1027743923 /nfs/dbraw/zinc/74/39/23/1027743923.db2.gz RNWICCGZJLUMDQ-LJQANCHMSA-N 2 0 323.569 3.717 20 0 DHADRP COCc1cccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000364296385 1027804570 /nfs/dbraw/zinc/80/45/70/1027804570.db2.gz BRIQBKJUGQVBDI-NHCUHLMSSA-N 2 0 324.468 3.616 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527653528 1027810364 /nfs/dbraw/zinc/81/03/64/1027810364.db2.gz LYFLFWVQZRTXEB-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1C ZINC000364674990 1027866888 /nfs/dbraw/zinc/86/68/88/1027866888.db2.gz QXNCQHOGETZZGM-FPOVZHCZSA-N 2 0 323.484 3.789 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000577729288 1027910417 /nfs/dbraw/zinc/91/04/17/1027910417.db2.gz JTQMRVZHWVZVAY-FGTMMUONSA-N 2 0 302.437 3.664 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CC12CC2 ZINC000527853185 1027918143 /nfs/dbraw/zinc/91/81/43/1027918143.db2.gz FEPRYHRDKABXPJ-ZMSDIMECSA-N 2 0 304.503 3.738 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000563275066 1027971911 /nfs/dbraw/zinc/97/19/11/1027971911.db2.gz BNJZMBWPFXLDOU-WSTZPKSXSA-N 2 0 317.521 3.532 20 0 DHADRP CC1=C[C@H](C)C[C@H](C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000365621284 1027984891 /nfs/dbraw/zinc/98/48/91/1027984891.db2.gz UFPFRTJDQHYUDS-WMZOPIPTSA-N 2 0 320.521 3.554 20 0 DHADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OCC ZINC000527929708 1027990850 /nfs/dbraw/zinc/99/08/50/1027990850.db2.gz HZTRJECKPZIDNI-DFQSSKMNSA-N 2 0 318.505 3.692 20 0 DHADRP Cc1cc(C)cc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000159505847 1028020604 /nfs/dbraw/zinc/02/06/04/1028020604.db2.gz BDIGXTYXCWCDIJ-UHFFFAOYSA-N 2 0 300.490 3.843 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c(C)c1 ZINC000528005172 1028031092 /nfs/dbraw/zinc/03/10/92/1028031092.db2.gz YNPHUZLPNHJSHY-DOTOQJQBSA-N 2 0 302.462 3.671 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000563426064 1028043391 /nfs/dbraw/zinc/04/33/91/1028043391.db2.gz SBSQJNZIVRPRRH-SUMDDJOVSA-N 2 0 301.478 3.743 20 0 DHADRP c1ccc(CCC[C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000563462724 1028058485 /nfs/dbraw/zinc/05/84/85/1028058485.db2.gz OITQWZVERBQCRO-HXUWFJFHSA-N 2 0 300.490 3.960 20 0 DHADRP Cc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000366249353 1028069232 /nfs/dbraw/zinc/06/92/32/1028069232.db2.gz JRTVKRAYWWTIMJ-OXQOHEQNSA-N 2 0 315.505 3.565 20 0 DHADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)CCC2 ZINC000366492120 1028087254 /nfs/dbraw/zinc/08/72/54/1028087254.db2.gz UKIHJIYIKVJTML-MSOLQXFVSA-N 2 0 310.445 3.595 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000578230948 1028095282 /nfs/dbraw/zinc/09/52/82/1028095282.db2.gz DDQKOWLWXZTYJG-QGZVFWFLSA-N 2 0 324.468 3.916 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367044768 1028127892 /nfs/dbraw/zinc/12/78/92/1028127892.db2.gz XTRQJWRAPGLIIE-VQIMIIECSA-N 2 0 301.478 3.570 20 0 DHADRP CN(CC[C@@H]1CCC[N@@H+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221077 1028151124 /nfs/dbraw/zinc/15/11/24/1028151124.db2.gz CIXIHNKBPYVBLC-AZUAARDMSA-N 2 0 309.457 3.587 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000578617377 1028196867 /nfs/dbraw/zinc/19/68/67/1028196867.db2.gz JWTMJFFWDQUOJL-IPELMVKDSA-N 2 0 323.484 3.911 20 0 DHADRP CN1CCC([N@H+](Cc2ccco2)[C@H]2CCc3ccccc32)CC1 ZINC000367668950 1028224801 /nfs/dbraw/zinc/22/48/01/1028224801.db2.gz JVCCXRCZPCXDHQ-FQEVSTJZSA-N 2 0 310.441 3.863 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449019398 1028247500 /nfs/dbraw/zinc/24/75/00/1028247500.db2.gz WDBZTIZOHXVWFT-CQSZACIVSA-N 2 0 310.432 3.875 20 0 DHADRP C[N@@H+](Cc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367907108 1028256552 /nfs/dbraw/zinc/25/65/52/1028256552.db2.gz SCZMWXDPHDKXMB-UHFFFAOYSA-N 2 0 313.420 3.569 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000449026534 1028264900 /nfs/dbraw/zinc/26/49/00/1028264900.db2.gz GDWHXVNVQGSBBY-IYOUNJFTSA-N 2 0 310.432 3.730 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000449026532 1028267143 /nfs/dbraw/zinc/26/71/43/1028267143.db2.gz GDWHXVNVQGSBBY-DEYYWGMASA-N 2 0 310.432 3.730 20 0 DHADRP [NH3+]C1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CCCCCC1 ZINC000578965842 1028289170 /nfs/dbraw/zinc/28/91/70/1028289170.db2.gz CAGWMEBXOXAQFR-UHFFFAOYSA-N 2 0 309.457 3.890 20 0 DHADRP CC[NH+]1CCC(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449059424 1028294772 /nfs/dbraw/zinc/29/47/72/1028294772.db2.gz ANSPZOCLLHSZOG-UHFFFAOYSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000579058295 1028310188 /nfs/dbraw/zinc/31/01/88/1028310188.db2.gz ZRHAKMKKXSGXAO-ROUUACIJSA-N 2 0 300.490 3.818 20 0 DHADRP CC[N@@H+]1CCC[C@@H](CNCc2cc(Cl)sc2Cl)C1 ZINC000449107318 1028359372 /nfs/dbraw/zinc/35/93/72/1028359372.db2.gz PFBLZAOWHSMTTK-JTQLQIEISA-N 2 0 307.290 3.876 20 0 DHADRP COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)cc2ccccc21 ZINC000449070172 1028329961 /nfs/dbraw/zinc/32/99/61/1028329961.db2.gz BIWQOQDZMIJXFD-OAHLLOKOSA-N 2 0 323.440 3.779 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000368440913 1028353693 /nfs/dbraw/zinc/35/36/93/1028353693.db2.gz IZJZYDNYCLIVMW-MNNVXMFVSA-N 2 0 304.453 3.753 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449104005 1028355482 /nfs/dbraw/zinc/35/54/82/1028355482.db2.gz DELYZDOEDANOSG-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449105234 1028355927 /nfs/dbraw/zinc/35/59/27/1028355927.db2.gz HWERHXYSNIRENW-HZPDHXFCSA-N 2 0 300.446 3.685 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc2ccoc21 ZINC000449105840 1028359802 /nfs/dbraw/zinc/35/98/02/1028359802.db2.gz JGQYYPUOOLXNBG-UHFFFAOYSA-N 2 0 324.424 3.663 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449094926 1028371063 /nfs/dbraw/zinc/37/10/63/1028371063.db2.gz VAXDROZMVRCBMJ-LRYGQEGESA-N 2 0 308.510 3.578 20 0 DHADRP c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000368591633 1028381667 /nfs/dbraw/zinc/38/16/67/1028381667.db2.gz IDLJTORCLHHXQD-HBMCJLEFSA-N 2 0 310.485 3.711 20 0 DHADRP COc1cc(F)cc(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000449126805 1028382846 /nfs/dbraw/zinc/38/28/46/1028382846.db2.gz VVJISLVOGUIWFU-UHFFFAOYSA-N 2 0 308.441 3.580 20 0 DHADRP COc1cccc2cc(C[NH2+]CCCCC[NH+]3CCCC3)oc21 ZINC000815151714 1028383797 /nfs/dbraw/zinc/38/37/97/1028383797.db2.gz SBFYYTXIRIFWHZ-UHFFFAOYSA-N 2 0 316.445 3.797 20 0 DHADRP CC[C@H](C)[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449139995 1028395774 /nfs/dbraw/zinc/39/57/74/1028395774.db2.gz BPFJVUWCNSERGG-RDJZCZTQSA-N 2 0 312.542 3.662 20 0 DHADRP C[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000449175165 1028418664 /nfs/dbraw/zinc/41/86/64/1028418664.db2.gz QPARTIYLYRJQLO-WMZOPIPTSA-N 2 0 323.569 3.738 20 0 DHADRP CSCC1CCC([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000449208782 1028444959 /nfs/dbraw/zinc/44/49/59/1028444959.db2.gz OJBWAPTXRQTGGG-ADKAHSJRSA-N 2 0 312.567 3.866 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449217209 1028459476 /nfs/dbraw/zinc/45/94/76/1028459476.db2.gz XRCIHZQNULRTAY-DOTOQJQBSA-N 2 0 310.526 3.823 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449229963 1028469425 /nfs/dbraw/zinc/46/94/25/1028469425.db2.gz GJBAMOODSJYOHH-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cccc(CC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000449240239 1028488667 /nfs/dbraw/zinc/48/86/67/1028488667.db2.gz MMBWLCMBNIJUSC-UHFFFAOYSA-N 2 0 323.484 3.781 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOCC(F)F)CC1 ZINC000449273877 1028501718 /nfs/dbraw/zinc/50/17/18/1028501718.db2.gz XNAQNWSQZHDYGP-UHFFFAOYSA-N 2 0 320.468 3.537 20 0 DHADRP c1coc([C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4ccco4)C3)C2)c1 ZINC000369592538 1028507927 /nfs/dbraw/zinc/50/79/27/1028507927.db2.gz RPLJLGUBXKKJNL-IRXDYDNUSA-N 2 0 314.429 3.542 20 0 DHADRP Cc1cccc(CCN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000564894866 1028516681 /nfs/dbraw/zinc/51/66/81/1028516681.db2.gz DIYPZAPFBJASBI-MOPGFXCFSA-N 2 0 315.505 3.519 20 0 DHADRP C[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC000449304303 1028524574 /nfs/dbraw/zinc/52/45/74/1028524574.db2.gz ZFZZIHGSXGNYMV-TZYSRNFLSA-N 2 0 308.416 3.675 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000449328373 1028537223 /nfs/dbraw/zinc/53/72/23/1028537223.db2.gz FMNKLPAIIPEORD-UHFFFAOYSA-N 2 0 308.510 3.602 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000369862715 1028541615 /nfs/dbraw/zinc/54/16/15/1028541615.db2.gz JUZGESSZMVZHNT-IZZQQSIFSA-N 2 0 322.537 3.824 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000449376757 1028586231 /nfs/dbraw/zinc/58/62/31/1028586231.db2.gz PALKHVAPFZOOOT-KBKAQKEBSA-N 2 0 316.464 3.767 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000449354202 1028587934 /nfs/dbraw/zinc/58/79/34/1028587934.db2.gz LACNLBWFHCGJEN-FXAWDEMLSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1C(F)(F)F ZINC000565703938 1028622970 /nfs/dbraw/zinc/62/29/70/1028622970.db2.gz HBFHWYMKPYPDBW-HNNXBMFYSA-N 2 0 314.395 3.834 20 0 DHADRP Cc1sc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)nc1-c1ccccc1 ZINC000370675933 1028634097 /nfs/dbraw/zinc/63/40/97/1028634097.db2.gz GTHANRZXEYMGCO-CZUORRHYSA-N 2 0 315.486 3.691 20 0 DHADRP CC[C@H]1CCC[C@H]1C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000449432086 1028638131 /nfs/dbraw/zinc/63/81/31/1028638131.db2.gz FQUFBZMGOHNMLR-GJZGRUSLSA-N 2 0 321.534 3.826 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)o2)cc1 ZINC000370728614 1028643696 /nfs/dbraw/zinc/64/36/96/1028643696.db2.gz CJVJYSCYNGBALG-OAHLLOKOSA-N 2 0 307.397 3.625 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000371397114 1028700792 /nfs/dbraw/zinc/70/07/92/1028700792.db2.gz MRVANSMVHBSLQT-AFYVEPGGSA-N 2 0 322.537 3.823 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000371397115 1028702234 /nfs/dbraw/zinc/70/22/34/1028702234.db2.gz MRVANSMVHBSLQT-LMCOJAPRSA-N 2 0 322.537 3.823 20 0 DHADRP Cc1nccn1CCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000528775667 1028797682 /nfs/dbraw/zinc/79/76/82/1028797682.db2.gz QHDNREXUSJXOQI-SFHVURJKSA-N 2 0 315.436 3.989 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000372781510 1028899214 /nfs/dbraw/zinc/89/92/14/1028899214.db2.gz BDLKKRURLPSZHO-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628133380 1028901991 /nfs/dbraw/zinc/90/19/91/1028901991.db2.gz AZDOTZMKRAUYBE-UHFFFAOYSA-N 2 0 314.477 3.507 20 0 DHADRP CC[NH+]1CCC(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628213863 1028943678 /nfs/dbraw/zinc/94/36/78/1028943678.db2.gz BBFWJPXXRPRERD-UHFFFAOYSA-N 2 0 314.395 3.569 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449756214 1028976892 /nfs/dbraw/zinc/97/68/92/1028976892.db2.gz OWNDLVISTACVBL-OQIJWPOYSA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449756589 1028979321 /nfs/dbraw/zinc/97/93/21/1028979321.db2.gz BMFGVTVYEYFVDG-RSPOEFSDSA-N 2 0 322.537 3.967 20 0 DHADRP COc1cc(F)cc(C[C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000449783829 1028996780 /nfs/dbraw/zinc/99/67/80/1028996780.db2.gz SBAOGDVACSFOHJ-AWEZNQCLSA-N 2 0 322.468 3.618 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C=CCCCCC2)[C@H](C)C1 ZINC000568046614 1028997311 /nfs/dbraw/zinc/99/73/11/1028997311.db2.gz SBQOTQNBMXYWLU-QRVBRYPASA-N 2 0 308.510 3.602 20 0 DHADRP c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC23CC3)cc1 ZINC000568087749 1029006588 /nfs/dbraw/zinc/00/65/88/1029006588.db2.gz SGFPRVRBNZKYTN-YSTOQKLRSA-N 2 0 310.485 3.962 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000568249335 1029033087 /nfs/dbraw/zinc/03/30/87/1029033087.db2.gz NRMMCZQIHKBGEW-ROUUACIJSA-N 2 0 314.498 3.933 20 0 DHADRP C[C@@H](CCc1ccccc1F)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373468462 1029052213 /nfs/dbraw/zinc/05/22/13/1029052213.db2.gz VIWVBXXPYHPEAZ-ZLPCBKJTSA-N 2 0 304.453 3.753 20 0 DHADRP FC(F)(F)C1CCN(C2CC([NH2+]C3CCCCC3)C2)CC1 ZINC000373484115 1029055717 /nfs/dbraw/zinc/05/57/17/1029055717.db2.gz KPHZBVKODIMQED-UHFFFAOYSA-N 2 0 304.400 3.714 20 0 DHADRP CCCC[C@@H](C)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373481000 1029058078 /nfs/dbraw/zinc/05/80/78/1029058078.db2.gz CVCJZHDCLKULBK-LRVUVFPRSA-N 2 0 306.416 3.960 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190666297 1029102891 /nfs/dbraw/zinc/10/28/91/1029102891.db2.gz KPTYQWGTRYIMBH-GFCCVEGCSA-N 2 0 316.848 3.785 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000373698985 1029117397 /nfs/dbraw/zinc/11/73/97/1029117397.db2.gz WKNREQNSSIDGSC-IYWMVGAKSA-N 2 0 322.537 3.683 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCc2cncs2)CC1)CC1CC1 ZINC000411432215 1029124324 /nfs/dbraw/zinc/12/43/24/1029124324.db2.gz RDHOECAPCLEPSS-UHFFFAOYSA-N 2 0 321.534 3.520 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@H]2CCN(C)[C@@H]2c2cccs2)CCC1 ZINC000373780351 1029133461 /nfs/dbraw/zinc/13/34/61/1029133461.db2.gz LWJDOOGMOLBLAF-UXLLHSPISA-N 2 0 322.518 3.678 20 0 DHADRP CC(C)(C)OC1CC([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000568909582 1029144993 /nfs/dbraw/zinc/14/49/93/1029144993.db2.gz ISLWQDZDSYFOBK-VIQWUECVSA-N 2 0 322.537 3.921 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCOC1 ZINC000411540348 1029157751 /nfs/dbraw/zinc/15/77/51/1029157751.db2.gz VGWMSCDVZVWUFD-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H](CC[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000569732481 1029258136 /nfs/dbraw/zinc/25/81/36/1029258136.db2.gz CKGVLAFYOYBEPE-YLJYHZDGSA-N 2 0 300.490 3.844 20 0 DHADRP CCc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817897545 1029268727 /nfs/dbraw/zinc/26/87/27/1029268727.db2.gz RUDCRISFYHKVEW-TZIWHRDSSA-N 2 0 322.452 3.595 20 0 DHADRP CCCCC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817891749 1029269632 /nfs/dbraw/zinc/26/96/32/1029269632.db2.gz GIHJTWSWNNHMFG-KVSKMBFKSA-N 2 0 302.462 3.801 20 0 DHADRP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817905768 1029271763 /nfs/dbraw/zinc/27/17/63/1029271763.db2.gz SUAQWYKSUSKYMN-VVWQDTPRSA-N 2 0 322.468 3.538 20 0 DHADRP C[C@H](c1cccc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569847401 1029272712 /nfs/dbraw/zinc/27/27/12/1029272712.db2.gz TXBDKEKDWGAJRY-SJLPKXTDSA-N 2 0 324.468 3.588 20 0 DHADRP C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC[NH+]1CCCC1 ZINC000817913539 1029276759 /nfs/dbraw/zinc/27/67/59/1029276759.db2.gz IKTORMUQJOETIY-ZCNNSNEGSA-N 3 0 321.553 3.543 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)[C@@H](C)C1 ZINC000569874214 1029280591 /nfs/dbraw/zinc/28/05/91/1029280591.db2.gz VQURVHNHWRFEHI-KSZLIROESA-N 2 0 312.542 3.928 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc(C)c1F ZINC000817947274 1029290213 /nfs/dbraw/zinc/29/02/13/1029290213.db2.gz AZCNRTKTSIPKAL-OAHLLOKOSA-N 2 0 300.421 3.795 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000817947264 1029291036 /nfs/dbraw/zinc/29/10/36/1029291036.db2.gz AXULMXPNZYZQBM-SFHVURJKSA-N 2 0 300.833 3.618 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000817947254 1029291515 /nfs/dbraw/zinc/29/15/15/1029291515.db2.gz AXULMXPNZYZQBM-GOSISDBHSA-N 2 0 300.833 3.618 20 0 DHADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000570041843 1029306597 /nfs/dbraw/zinc/30/65/97/1029306597.db2.gz GDUXIHOEVIYWRO-MRXNPFEDSA-N 2 0 318.505 3.558 20 0 DHADRP C1CC([C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCOC2)C1 ZINC000925227122 1029309535 /nfs/dbraw/zinc/30/95/35/1029309535.db2.gz BJXWCBRMTQZCAQ-DCCYDQLOSA-N 2 0 320.521 3.578 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000570117056 1029316741 /nfs/dbraw/zinc/31/67/41/1029316741.db2.gz YONFTVOKFNSHFQ-UHFFFAOYSA-N 2 0 319.251 3.954 20 0 DHADRP CC(C)n1cc([C@@H](C)NCCC[N@H+](C)C2CCCCC2)cn1 ZINC000120783805 1029353664 /nfs/dbraw/zinc/35/36/64/1029353664.db2.gz UGQJCPUVVXBMES-MRXNPFEDSA-N 2 0 306.498 3.769 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCOCC2)C2CCCCC2)cc1 ZINC000629523765 1029356837 /nfs/dbraw/zinc/35/68/37/1029356837.db2.gz IVOXHGBUXIRGEE-IBGZPJMESA-N 2 0 316.489 3.714 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2[nH]cnc2c1 ZINC000570365922 1029357211 /nfs/dbraw/zinc/35/72/11/1029357211.db2.gz VSICUEHBKYPLJD-UHFFFAOYSA-N 2 0 322.456 3.647 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000629549843 1029364136 /nfs/dbraw/zinc/36/41/36/1029364136.db2.gz WDZDUCFEOWFIHJ-DNVCBOLYSA-N 2 0 303.494 3.853 20 0 DHADRP c1cc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000529535140 1029366482 /nfs/dbraw/zinc/36/64/82/1029366482.db2.gz FGSVLNPTNUKWBP-YLJYHZDGSA-N 2 0 309.457 3.617 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000629549644 1029367919 /nfs/dbraw/zinc/36/79/19/1029367919.db2.gz SZPBABBDFDSWIF-MMNPAVHPSA-N 2 0 304.865 3.695 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@@H]1C(F)(F)F ZINC000629560034 1029368096 /nfs/dbraw/zinc/36/80/96/1029368096.db2.gz CIQJNMCNSMXEHK-ZBFHGGJFSA-N 2 0 312.379 3.523 20 0 DHADRP CC1=Nc2ccc3cc(N[C@H]([NH3+])CCC[NH3+])ccc3c2C1(C)C ZINC001170898553 1029368476 /nfs/dbraw/zinc/36/84/76/1029368476.db2.gz DOUUWQIWTKPWBU-KRWDZBQOSA-N 2 0 310.445 3.659 20 0 DHADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629562010 1029372100 /nfs/dbraw/zinc/37/21/00/1029372100.db2.gz MGRMLLPWLIRHBC-APIJFGDWSA-N 2 0 306.416 3.662 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1C[NH+]1CCCCC1 ZINC000818355924 1029383882 /nfs/dbraw/zinc/38/38/82/1029383882.db2.gz LBKGHDOSNVFEKI-KXBFYZLASA-N 2 0 314.473 3.884 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccsc2C(F)(F)F)C1 ZINC000529569286 1029428608 /nfs/dbraw/zinc/42/86/08/1029428608.db2.gz NPJIKTOBBQTTQU-YPMHNXCESA-N 2 0 318.408 3.683 20 0 DHADRP Fc1ccc(C[NH+]2CCCC2)cc1-c1cnn(-c2cc[nH+]cc2)c1 ZINC000629702660 1029430059 /nfs/dbraw/zinc/43/00/59/1029430059.db2.gz QPXKATIBRRPFJQ-UHFFFAOYSA-N 2 0 322.387 3.669 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3s2)C1 ZINC000571007099 1029443584 /nfs/dbraw/zinc/44/35/84/1029443584.db2.gz XRSPBWOECBODSW-NVXWUHKLSA-N 2 0 300.471 3.817 20 0 DHADRP Cc1cc(C)cc([C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000818959842 1029445548 /nfs/dbraw/zinc/44/55/48/1029445548.db2.gz USBHMGYWEKAAMH-ICSRJNTNSA-N 2 0 318.505 3.581 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925230171 1029629858 /nfs/dbraw/zinc/62/98/58/1029629858.db2.gz UCUGJIJPSHHYMC-JCYILVPMSA-N 2 0 317.477 3.747 20 0 DHADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000450868832 1029715102 /nfs/dbraw/zinc/71/51/02/1029715102.db2.gz ABIGQELLUNPPOG-ZBFHGGJFSA-N 2 0 309.523 3.640 20 0 DHADRP CC(C)C[C@H](C)[NH+]1CCC2(C[C@H]2N(C)Cc2nccs2)CC1 ZINC000450941299 1029743906 /nfs/dbraw/zinc/74/39/06/1029743906.db2.gz SCWFBZGYYRTQPR-JKSUJKDBSA-N 2 0 321.534 3.864 20 0 DHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820804888 1029767701 /nfs/dbraw/zinc/76/77/01/1029767701.db2.gz BMXMVSPPSSNFIJ-OAHLLOKOSA-N 3 0 317.521 3.708 20 0 DHADRP Fc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820809029 1029769510 /nfs/dbraw/zinc/76/95/10/1029769510.db2.gz RZIKOKAEMSUWTI-QTRNOVCWSA-N 2 0 300.421 3.560 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC/C=C/c2ccc(Br)cc2)C1 ZINC000530214292 1029785322 /nfs/dbraw/zinc/78/53/22/1029785322.db2.gz XDABDAPRWCNTRJ-UVZPHGAJSA-N 2 0 323.278 3.712 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC[C@H]1CC=CCC1 ZINC000530217494 1029785441 /nfs/dbraw/zinc/78/54/41/1029785441.db2.gz BSJHOUPYWPYSRY-HQRMLTQVSA-N 2 0 312.457 3.578 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000530219081 1029786970 /nfs/dbraw/zinc/78/69/70/1029786970.db2.gz YXFUVVSULRMWFL-PVAVHDDUSA-N 2 0 304.865 3.850 20 0 DHADRP Fc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)CC2 ZINC001170970197 1029865924 /nfs/dbraw/zinc/86/59/24/1029865924.db2.gz LWENTJVJPLEXEJ-QGZVFWFLSA-N 2 0 316.464 3.537 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170971351 1029868280 /nfs/dbraw/zinc/86/82/80/1029868280.db2.gz MPLHILHLQDASBN-ULQDDVLXSA-N 2 0 304.453 3.663 20 0 DHADRP CCC(=O)CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000290126973 1029907699 /nfs/dbraw/zinc/90/76/99/1029907699.db2.gz UPFBPZRTIJKNSE-UHFFFAOYSA-N 2 0 316.489 3.590 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCc2cccc(F)c2C1)CC(C)(C)CC[NH3+] ZINC001170973955 1029910034 /nfs/dbraw/zinc/91/00/34/1029910034.db2.gz TZRFGXLQVPHHFT-GOEBONIOSA-N 2 0 306.469 3.674 20 0 DHADRP CSC1(C[NH2+]Cc2cccc(Cl)c2C)CC[NH+](C)CC1 ZINC000865573105 1029922803 /nfs/dbraw/zinc/92/28/03/1029922803.db2.gz BXZGKELLYWFNAH-UHFFFAOYSA-N 2 0 312.910 3.565 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(Cl)cc2)C[C@H]1C ZINC000530662789 1029951057 /nfs/dbraw/zinc/95/10/57/1029951057.db2.gz BVHUZHCXJYXQIM-NVXWUHKLSA-N 2 0 324.896 3.914 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000865765235 1030013760 /nfs/dbraw/zinc/01/37/60/1030013760.db2.gz MCLKINXMDZQIQI-UHFFFAOYSA-N 2 0 321.852 3.834 20 0 DHADRP COCCC1(C[NH2+]C2CCC(C)([NH+](C)C)CC2)CCCCC1 ZINC000865764824 1030015144 /nfs/dbraw/zinc/01/51/44/1030015144.db2.gz DQFSWQBTPWCGAD-UHFFFAOYSA-N 2 0 310.526 3.826 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924584017 1030128702 /nfs/dbraw/zinc/12/87/02/1030128702.db2.gz FOIDMIVXNZJSMN-DZIBYMRMSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000290622161 1030130054 /nfs/dbraw/zinc/13/00/54/1030130054.db2.gz XHLXJKCWYHCZHJ-CXAGYDPISA-N 2 0 317.864 3.660 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C(C)C)cc1 ZINC000924587057 1030131457 /nfs/dbraw/zinc/13/14/57/1030131457.db2.gz ZBKOUUKFCGHSBL-VQTJNVASSA-N 2 0 318.505 3.679 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000924585817 1030132460 /nfs/dbraw/zinc/13/24/60/1030132460.db2.gz ZJYPSSAQGOPTNP-KRWDZBQOSA-N 2 0 311.473 3.644 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccnn1C1CCC1 ZINC000924680732 1030156883 /nfs/dbraw/zinc/15/68/83/1030156883.db2.gz IFZQCOMTFWWXJP-KRWDZBQOSA-N 2 0 318.509 3.771 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccnn1C1CCC1 ZINC000924680734 1030158079 /nfs/dbraw/zinc/15/80/79/1030158079.db2.gz IFZQCOMTFWWXJP-QGZVFWFLSA-N 2 0 318.509 3.771 20 0 DHADRP CCOc1cccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924690156 1030160530 /nfs/dbraw/zinc/16/05/30/1030160530.db2.gz OOPLUBNESXQVFW-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000866219191 1030163155 /nfs/dbraw/zinc/16/31/55/1030163155.db2.gz IPQBOLNPOBDFCF-GOSISDBHSA-N 2 0 323.484 3.788 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866212813 1030163227 /nfs/dbraw/zinc/16/32/27/1030163227.db2.gz WLUSPQVSRBZLBD-QILLFSRXSA-N 2 0 308.441 3.558 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000866249910 1030180427 /nfs/dbraw/zinc/18/04/27/1030180427.db2.gz QHKWAAULVYZLNT-KRWDZBQOSA-N 2 0 315.505 3.647 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866259513 1030186174 /nfs/dbraw/zinc/18/61/74/1030186174.db2.gz BXZIDZKXGVPHAL-GFCCVEGCSA-N 2 0 321.852 3.864 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000866278064 1030200717 /nfs/dbraw/zinc/20/07/17/1030200717.db2.gz LTKPGIGSCKTUMO-KRWDZBQOSA-N 2 0 315.505 3.789 20 0 DHADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000924854504 1030208135 /nfs/dbraw/zinc/20/81/35/1030208135.db2.gz HNAAWDZNYNJLFG-UXHICEINSA-N 2 0 322.537 3.682 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924955988 1030235682 /nfs/dbraw/zinc/23/56/82/1030235682.db2.gz WFZISXDMCLEEMA-OAHLLOKOSA-N 2 0 313.445 3.724 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467767 1030311203 /nfs/dbraw/zinc/31/12/03/1030311203.db2.gz PVGZUKWCXZGJGM-INIZCTEOSA-N 2 0 303.494 3.805 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866478030 1030313504 /nfs/dbraw/zinc/31/35/04/1030313504.db2.gz DJABGEXBMRRFIH-QAPCUYQASA-N 2 0 322.518 3.563 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925232751 1030313759 /nfs/dbraw/zinc/31/37/59/1030313759.db2.gz MYOIHPOTXAIMKR-AWEZNQCLSA-N 2 0 307.482 3.700 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)ccc1F ZINC000866517450 1030341863 /nfs/dbraw/zinc/34/18/63/1030341863.db2.gz ZJJINVCTBRGWRN-MJJDPTRDSA-N 2 0 308.441 3.748 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518209 1030342548 /nfs/dbraw/zinc/34/25/48/1030342548.db2.gz UUMMBODQHFECSG-IVMQYODDSA-N 2 0 303.494 3.645 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925508484 1030381111 /nfs/dbraw/zinc/38/11/11/1030381111.db2.gz GOIZQGNDKKWTLC-SJORKVTESA-N 2 0 324.415 3.546 20 0 DHADRP CC(C)(C)c1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)o1 ZINC000866573826 1030383709 /nfs/dbraw/zinc/38/37/09/1030383709.db2.gz ZDUPRTGRBNQKMN-UHFFFAOYSA-N 2 0 313.445 3.731 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c(F)c1 ZINC000925516731 1030384370 /nfs/dbraw/zinc/38/43/70/1030384370.db2.gz IRBMMSRZTVLJBP-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP CC1(C)[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925528440 1030386477 /nfs/dbraw/zinc/38/64/77/1030386477.db2.gz UCBJIHLGOINTBA-HSALFYBXSA-N 2 0 321.468 3.615 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000823747998 1030386529 /nfs/dbraw/zinc/38/65/29/1030386529.db2.gz PYUBANRSNQCSBJ-RBUKOAKNSA-N 2 0 308.510 3.578 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925532006 1030391289 /nfs/dbraw/zinc/39/12/89/1030391289.db2.gz UIBRDVQONIJBDP-VQTJNVASSA-N 2 0 323.484 3.535 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000925539160 1030393468 /nfs/dbraw/zinc/39/34/68/1030393468.db2.gz ZKGGQWPMDYLMDF-GHTZIAJQSA-N 2 0 323.484 3.583 20 0 DHADRP CCCC[C@@H]1C[C@H]([NH2+]CCCCCCCCCCO)CC[NH2+]1 ZINC001246285971 1030407868 /nfs/dbraw/zinc/40/78/68/1030407868.db2.gz GODYTDIZKXEJQZ-RTBURBONSA-N 2 0 312.542 4.000 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C1 ZINC000925633311 1030426025 /nfs/dbraw/zinc/42/60/25/1030426025.db2.gz FDDZLFYXKPBBNM-QZTJIDSGSA-N 2 0 316.489 3.622 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c2ccccc2n1 ZINC000866707416 1030427559 /nfs/dbraw/zinc/42/75/59/1030427559.db2.gz OCNLYNNRQYRFNL-FQEVSTJZSA-N 2 0 311.473 3.740 20 0 DHADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925638698 1030429147 /nfs/dbraw/zinc/42/91/47/1030429147.db2.gz GEGBYAFRDIVRHB-AEGPPILISA-N 2 0 306.498 3.503 20 0 DHADRP C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925635614 1030429203 /nfs/dbraw/zinc/42/92/03/1030429203.db2.gz STPUKDOAHHFJOJ-KKSFZXQISA-N 2 0 323.484 3.586 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C12CCC2 ZINC000925645814 1030433043 /nfs/dbraw/zinc/43/30/43/1030433043.db2.gz TYVCUXLUHOMFPE-HUUCEWRRSA-N 2 0 324.390 3.597 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000925653894 1030440467 /nfs/dbraw/zinc/44/04/67/1030440467.db2.gz BWYVXMJCTQSZDZ-ROUUACIJSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC(F)(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925652000 1030441142 /nfs/dbraw/zinc/44/11/42/1030441142.db2.gz ABRSWIYFHGHWPI-JSGAYZESSA-N 2 0 322.855 3.786 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1 ZINC000925670025 1030448694 /nfs/dbraw/zinc/44/86/94/1030448694.db2.gz FSIIRILKBJJNON-GOSISDBHSA-N 2 0 309.457 3.573 20 0 DHADRP CSCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925681081 1030451532 /nfs/dbraw/zinc/45/15/32/1030451532.db2.gz VVJDDGBPHJXNGT-KXIUCKCTSA-N 2 0 310.551 3.666 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925686156 1030453835 /nfs/dbraw/zinc/45/38/35/1030453835.db2.gz QDELQCRDOTYYSS-PKOBYXMFSA-N 2 0 315.505 3.637 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000121685987 1030464144 /nfs/dbraw/zinc/46/41/44/1030464144.db2.gz LLSCLDQXLAWWGW-QGZVFWFLSA-N 2 0 318.505 3.728 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccccc1 ZINC000925721830 1030465328 /nfs/dbraw/zinc/46/53/28/1030465328.db2.gz GXDCNMKXGBBCGM-RBUKOAKNSA-N 2 0 316.489 3.796 20 0 DHADRP CCSc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000925730344 1030466363 /nfs/dbraw/zinc/46/63/63/1030466363.db2.gz FQDTVDAOTIVJCT-ZDUSSCGKSA-N 2 0 315.486 3.812 20 0 DHADRP COc1ccc(C2CC2)cc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925738157 1030471162 /nfs/dbraw/zinc/47/11/62/1030471162.db2.gz WAXTZPNNWYZJCY-RTBURBONSA-N 2 0 308.425 3.807 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000925760814 1030485313 /nfs/dbraw/zinc/48/53/13/1030485313.db2.gz SIRRLZMZDIIBBT-FQEVSTJZSA-N 2 0 324.468 3.988 20 0 DHADRP C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358456102 1030494856 /nfs/dbraw/zinc/49/48/56/1030494856.db2.gz AITDPHARXNEKLU-MHAAMQRSSA-N 2 0 308.510 3.575 20 0 DHADRP CSC1CCC(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925803412 1030503502 /nfs/dbraw/zinc/50/35/02/1030503502.db2.gz ZIAFIUOCGOKATM-KXIUCKCTSA-N 2 0 310.551 3.666 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000558258922 1030504085 /nfs/dbraw/zinc/50/40/85/1030504085.db2.gz SVHJJNHIFHZGOZ-FRQCXROJSA-N 2 0 304.478 3.507 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)s1 ZINC000925816674 1030508274 /nfs/dbraw/zinc/50/82/74/1030508274.db2.gz INPISZYASZQGSY-CYBMUJFWSA-N 2 0 309.523 3.971 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccs2)[C@@H](C)C1 ZINC000246392110 1030508321 /nfs/dbraw/zinc/50/83/21/1030508321.db2.gz AYTHYABSPIZFLN-JYJNAYRXSA-N 2 0 310.507 3.536 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cnc3ccccc3c2)c2ccccc21 ZINC000925830187 1030511883 /nfs/dbraw/zinc/51/18/83/1030511883.db2.gz CKYSJHVTRFJLOT-AZUAARDMSA-N 2 0 303.409 3.512 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925840607 1030517617 /nfs/dbraw/zinc/51/76/17/1030517617.db2.gz MXLXKJAYGVBSJL-JRBPQWBISA-N 2 0 313.489 3.538 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)c1nc2ccccc2s1 ZINC000925875519 1030529623 /nfs/dbraw/zinc/52/96/23/1030529623.db2.gz JTOIGFBPWACQMO-FQUUOJAGSA-N 2 0 303.475 3.505 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000925875639 1030530168 /nfs/dbraw/zinc/53/01/68/1030530168.db2.gz KFIPEZUAUPJFSL-QKLQHJQFSA-N 2 0 308.469 3.924 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000925886707 1030533865 /nfs/dbraw/zinc/53/38/65/1030533865.db2.gz KACZXRAWWGNPIV-PCCBWWKXSA-N 2 0 306.453 3.786 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@H](C)c1ccccc1 ZINC000925887926 1030536368 /nfs/dbraw/zinc/53/63/68/1030536368.db2.gz OZLSGPNTRGDBGR-KJNZLNQQSA-N 2 0 308.469 3.827 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925888954 1030536816 /nfs/dbraw/zinc/53/68/16/1030536816.db2.gz XEIHVAQVDIIMGQ-NBHGPNQESA-N 2 0 324.468 3.795 20 0 DHADRP CC[C@H]1C[C@H](C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000558416026 1030568133 /nfs/dbraw/zinc/56/81/33/1030568133.db2.gz IQUYAILTDVOXAC-UXHICEINSA-N 2 0 318.505 3.775 20 0 DHADRP C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(C[NH+](C)C)c1 ZINC000925995035 1030570694 /nfs/dbraw/zinc/57/06/94/1030570694.db2.gz SLXPQUZGVXOKAZ-HNNXBMFYSA-N 2 0 321.428 3.502 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423779 1030571360 /nfs/dbraw/zinc/57/13/60/1030571360.db2.gz RPGKNOGCJDHYEF-TZIWHRDSSA-N 2 0 321.468 3.665 20 0 DHADRP C[Si](C)(C)C([NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)[Si](C)(C)C ZINC001246336085 1030594366 /nfs/dbraw/zinc/59/43/66/1030594366.db2.gz FSRBZNGFLYNHMU-CQSZACIVSA-N 2 0 312.650 3.622 20 0 DHADRP CC[N@H+](CCC1CCN(Cc2cc(C)on2)CC1)CC(C)C ZINC000358739919 1030607153 /nfs/dbraw/zinc/60/71/53/1030607153.db2.gz BYWQAVGOUBHULJ-UHFFFAOYSA-N 2 0 307.482 3.563 20 0 DHADRP Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926157269 1030635434 /nfs/dbraw/zinc/63/54/34/1030635434.db2.gz BNIUXRCRMCWMIQ-ZFWWWQNUSA-N 2 0 317.502 3.967 20 0 DHADRP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246568802 1030636612 /nfs/dbraw/zinc/63/66/12/1030636612.db2.gz BDPIIXOMTBPGKO-KBPBESRZSA-N 2 0 319.399 3.714 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000246589497 1030638994 /nfs/dbraw/zinc/63/89/94/1030638994.db2.gz ZHABOTQVXYQQDY-KPFFTGBYSA-N 2 0 316.489 3.543 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648535200 1030655707 /nfs/dbraw/zinc/65/57/07/1030655707.db2.gz VOQOQFISJAHASK-UHFFFAOYSA-N 2 0 319.836 3.541 20 0 DHADRP COc1ccc(F)cc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926218954 1030661846 /nfs/dbraw/zinc/66/18/46/1030661846.db2.gz JMWWAAKEQWPZAA-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247011701 1030669807 /nfs/dbraw/zinc/66/98/07/1030669807.db2.gz XKHIJLYVLPNQFG-PXNSSMCTSA-N 2 0 321.468 3.684 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926353614 1030708672 /nfs/dbraw/zinc/70/86/72/1030708672.db2.gz KHMIXCJNINQGGJ-KYHPRHEASA-N 2 0 304.478 3.602 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000926449771 1030744976 /nfs/dbraw/zinc/74/49/76/1030744976.db2.gz HWDOPMZIBSGACK-DZGCQCFKSA-N 2 0 315.486 3.600 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248754398 1030762627 /nfs/dbraw/zinc/76/26/27/1030762627.db2.gz UVZNHFVFKGWLKJ-ULQDDVLXSA-N 2 0 301.478 3.694 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926557046 1030797377 /nfs/dbraw/zinc/79/73/77/1030797377.db2.gz GCTSQTULEVTHDS-DOTOQJQBSA-N 2 0 304.478 3.604 20 0 DHADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(Br)c1 ZINC000336792689 1030803126 /nfs/dbraw/zinc/80/31/26/1030803126.db2.gz SZTVAQUUUAUQLG-DOMZBBRYSA-N 2 0 313.283 3.688 20 0 DHADRP C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926602240 1030822806 /nfs/dbraw/zinc/82/28/06/1030822806.db2.gz WXVCGDNIECMIAT-FOIQADDNSA-N 2 0 310.441 3.670 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000926652838 1030843564 /nfs/dbraw/zinc/84/35/64/1030843564.db2.gz YQPBKEPHKDMBGU-JKSUJKDBSA-N 2 0 304.881 3.791 20 0 DHADRP C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(C[NH+](C)C)c1 ZINC000926708469 1030875450 /nfs/dbraw/zinc/87/54/50/1030875450.db2.gz IKKRAHWFZZBCPH-XOBRGWDASA-N 2 0 310.441 3.792 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnn(C2CCC2)c1 ZINC000926796676 1030932049 /nfs/dbraw/zinc/93/20/49/1030932049.db2.gz LBOKJQROSLTVDX-NXVRBGIVSA-N 2 0 304.482 3.522 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000926797693 1030935348 /nfs/dbraw/zinc/93/53/48/1030935348.db2.gz PQWCAAZQQZTIJD-MYWSLZCHSA-N 2 0 318.505 3.828 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@H](O)c1ccccc1 ZINC000926838212 1030948032 /nfs/dbraw/zinc/94/80/32/1030948032.db2.gz RKQZVANFXBXHSX-VQTJNVASSA-N 2 0 318.505 3.599 20 0 DHADRP COc1ccnc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000926890600 1030969351 /nfs/dbraw/zinc/96/93/51/1030969351.db2.gz WBJCSUPPAFGMIF-MDCZIUGASA-N 2 0 317.477 3.538 20 0 DHADRP C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926894142 1030973438 /nfs/dbraw/zinc/97/34/38/1030973438.db2.gz KDMSEOXFMAOVBW-FOIQADDNSA-N 2 0 309.457 3.945 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCS1 ZINC000927032448 1031042210 /nfs/dbraw/zinc/04/22/10/1031042210.db2.gz NJWVVAALGWTMQB-JOCBIADPSA-N 2 0 310.551 3.903 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCS1 ZINC000927032445 1031042985 /nfs/dbraw/zinc/04/29/85/1031042985.db2.gz NJWVVAALGWTMQB-AHCXZYCDSA-N 2 0 310.551 3.903 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[C@@H]1[NH3+] ZINC000261644337 1031043849 /nfs/dbraw/zinc/04/38/49/1031043849.db2.gz ANSZNGRIYDNWBH-KUHUBIRLSA-N 2 0 314.404 3.787 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc2c(c1)COC2 ZINC000927039040 1031045356 /nfs/dbraw/zinc/04/53/56/1031045356.db2.gz SGYOLINKFLHQGW-VMEOHVCESA-N 2 0 314.473 3.774 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038871 1031045547 /nfs/dbraw/zinc/04/55/47/1031045547.db2.gz RMZZMQQKTPQBRQ-IHJVYAAUSA-N 2 0 316.489 3.759 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]C1CCC(C)([NH+]3CCC3)CC1)CCC2 ZINC000927038081 1031046059 /nfs/dbraw/zinc/04/60/59/1031046059.db2.gz MLOUGEQMBPVQQN-HQVVEAJESA-N 2 0 319.518 3.826 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039874 1031048039 /nfs/dbraw/zinc/04/80/39/1031048039.db2.gz WDGFYYSVVPYGEG-LSJNQWAISA-N 2 0 301.478 3.702 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc(C[NH+](C)C)c1 ZINC000927064701 1031063748 /nfs/dbraw/zinc/06/37/48/1031063748.db2.gz YKUISPMWTXMBKT-BEFAXECRSA-N 2 0 309.457 3.871 20 0 DHADRP CCc1cccc(Cl)c1CN1CCC([NH2+]CC2CC2)CC1 ZINC000261822977 1031067108 /nfs/dbraw/zinc/06/71/08/1031067108.db2.gz ILLRTAINVCEPJC-UHFFFAOYSA-N 2 0 306.881 3.866 20 0 DHADRP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000927068219 1031069047 /nfs/dbraw/zinc/06/90/47/1031069047.db2.gz FYEGPNYGCZOJFY-CWFSZBLJSA-N 2 0 316.489 3.604 20 0 DHADRP C[NH2+]C[C@H]1CCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000262003677 1031088698 /nfs/dbraw/zinc/08/86/98/1031088698.db2.gz UHZXYMBTRQEMKM-MRXNPFEDSA-N 2 0 314.404 3.659 20 0 DHADRP C[NH2+]CCC1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000262013774 1031089155 /nfs/dbraw/zinc/08/91/55/1031089155.db2.gz VFDGWPUCUBZFNG-UHFFFAOYSA-N 2 0 312.457 3.540 20 0 DHADRP Cc1c(C[NH+]2CCC(C[NH+](C)C)CC2)cccc1C(F)(F)F ZINC001143924014 1031090437 /nfs/dbraw/zinc/09/04/37/1031090437.db2.gz BCDPYJCXCCYLDD-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171131594 1031200124 /nfs/dbraw/zinc/20/01/24/1031200124.db2.gz YAOFUYYYJYWBAG-GOSISDBHSA-N 2 0 306.881 3.615 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000321612204 1031242847 /nfs/dbraw/zinc/24/28/47/1031242847.db2.gz SKXAYWYKPYEDGU-TZIWHRDSSA-N 2 0 308.469 3.902 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(C)C)cc2)C[C@H]1C ZINC000536658526 1031359795 /nfs/dbraw/zinc/35/97/95/1031359795.db2.gz BVJRZSYJNYNNKR-SJLPKXTDSA-N 2 0 304.478 3.778 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000872018303 1031400428 /nfs/dbraw/zinc/40/04/28/1031400428.db2.gz KEKWIMVBBBSUBK-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000360416233 1031417102 /nfs/dbraw/zinc/41/71/02/1031417102.db2.gz FDBPVOFPANQELD-DLBZAZTESA-N 2 0 309.457 3.741 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293304317 1031417368 /nfs/dbraw/zinc/41/73/68/1031417368.db2.gz HYJAXHGSGIPUAP-QFBILLFUSA-N 2 0 322.468 3.613 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2ccsc2)CCN1Cc1ccccc1 ZINC000379629200 1031419197 /nfs/dbraw/zinc/41/91/97/1031419197.db2.gz OJVYNPUPEJONDX-QFBILLFUSA-N 2 0 314.498 3.933 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCOC1 ZINC000872042020 1031428461 /nfs/dbraw/zinc/42/84/61/1031428461.db2.gz MDUQSWNKFUMBON-MOPGFXCFSA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)(C)CC ZINC000872048091 1031436566 /nfs/dbraw/zinc/43/65/66/1031436566.db2.gz GWNKRNONYVLZAC-KSZLIROESA-N 2 0 310.526 3.559 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872052621 1031440323 /nfs/dbraw/zinc/44/03/23/1031440323.db2.gz DNINZTXHWCWSRD-MRXNPFEDSA-N 2 0 302.487 3.854 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000536883199 1031468486 /nfs/dbraw/zinc/46/84/86/1031468486.db2.gz RPPHPNINFKZPKS-LALPHHSUSA-N 2 0 315.288 3.854 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000536908114 1031475510 /nfs/dbraw/zinc/47/55/10/1031475510.db2.gz FOXQKOHVGMQPJH-KYJSFNMBSA-N 2 0 324.896 3.817 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000536908142 1031475564 /nfs/dbraw/zinc/47/55/64/1031475564.db2.gz FOXQKOHVGMQPJH-YXJHDRRASA-N 2 0 324.896 3.817 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000035180107 1031477143 /nfs/dbraw/zinc/47/71/43/1031477143.db2.gz YCQSJOLMJNMHJM-CQSZACIVSA-N 2 0 312.885 3.949 20 0 DHADRP CC(C)[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000536960261 1031478378 /nfs/dbraw/zinc/47/83/78/1031478378.db2.gz QGPUKYXIHZESNQ-OAHLLOKOSA-N 2 0 302.384 3.944 20 0 DHADRP Cc1cc([C@H]([NH2+]CCC2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000537000285 1031487949 /nfs/dbraw/zinc/48/79/49/1031487949.db2.gz YKCSMEBROGHHOG-LJQANCHMSA-N 2 0 304.453 3.907 20 0 DHADRP CC(C)Oc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000537024611 1031490057 /nfs/dbraw/zinc/49/00/57/1031490057.db2.gz RJQXZSWCKNADNM-SJLPKXTDSA-N 2 0 304.478 3.999 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000872112324 1031503294 /nfs/dbraw/zinc/50/32/94/1031503294.db2.gz IMYGOHUSWQSENC-HNNXBMFYSA-N 2 0 304.478 3.684 20 0 DHADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156043 1031536908 /nfs/dbraw/zinc/53/69/08/1031536908.db2.gz DCDPFXQITHSGKS-GJYPPUQNSA-N 2 0 301.478 3.762 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000872155305 1031537230 /nfs/dbraw/zinc/53/72/30/1031537230.db2.gz HGGJXQIMNIWCQU-UHFFFAOYSA-N 2 0 321.852 3.946 20 0 DHADRP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155196 1031538173 /nfs/dbraw/zinc/53/81/73/1031538173.db2.gz NKPGWOGESXVZJL-UHFFFAOYSA-N 2 0 319.493 3.508 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858074 1031539677 /nfs/dbraw/zinc/53/96/77/1031539677.db2.gz VYXIOSRMMABTIH-GFCCVEGCSA-N 2 0 301.261 3.658 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCCC1 ZINC000537295940 1031560200 /nfs/dbraw/zinc/56/02/00/1031560200.db2.gz OENSEHFYIABTFM-OKYOBFRVSA-N 2 0 322.537 3.680 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360842069 1031587717 /nfs/dbraw/zinc/58/77/17/1031587717.db2.gz VBOHLWBHJLLGIK-IBGZPJMESA-N 2 0 301.478 3.634 20 0 DHADRP Cc1cc(C)nc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000929753742 1031597608 /nfs/dbraw/zinc/59/76/08/1031597608.db2.gz FFSCRHOUQREYGO-FQEVSTJZSA-N 2 0 323.484 3.652 20 0 DHADRP COCC[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000361112168 1031735253 /nfs/dbraw/zinc/73/52/53/1031735253.db2.gz TWVCNDXHKXIQON-IBGZPJMESA-N 2 0 322.468 3.615 20 0 DHADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202181 1031757607 /nfs/dbraw/zinc/75/76/07/1031757607.db2.gz MGHBIPAKRZAYAF-LBPRGKRZSA-N 2 0 304.434 3.726 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220139 1031762901 /nfs/dbraw/zinc/76/29/01/1031762901.db2.gz KMTMFIORIJIFOI-CHWSQXEVSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220425 1031763132 /nfs/dbraw/zinc/76/31/32/1031763132.db2.gz OJVKVMGLTTYKQO-CHWSQXEVSA-N 2 0 314.395 3.614 20 0 DHADRP CC[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccc1OC ZINC000873222918 1031763542 /nfs/dbraw/zinc/76/35/42/1031763542.db2.gz HJGPFAQCOBOOFU-MRXNPFEDSA-N 2 0 316.470 3.643 20 0 DHADRP Cc1ccc2cc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)ccc2n1 ZINC000873232975 1031766323 /nfs/dbraw/zinc/76/63/23/1031766323.db2.gz UUIYVKCQWNJXNL-FQEVSTJZSA-N 2 0 323.484 3.945 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(-c2ccccc2F)s1 ZINC000873254131 1031774611 /nfs/dbraw/zinc/77/46/11/1031774611.db2.gz LMHXNFLJMVZLQK-RWMBFGLXSA-N 2 0 304.434 3.942 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000873252442 1031775445 /nfs/dbraw/zinc/77/54/45/1031775445.db2.gz RSQHKDNVBRYYFP-NVBFEUDRSA-N 2 0 312.429 3.706 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OCc2ccccc2)cc1 ZINC000873257280 1031776841 /nfs/dbraw/zinc/77/68/41/1031776841.db2.gz SKIXQUSFLOLOOM-VDZJLULYSA-N 2 0 310.441 3.654 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(OCc2ccccc2)c1 ZINC000873258340 1031777288 /nfs/dbraw/zinc/77/72/88/1031777288.db2.gz OEYHBRIQXTZLHM-IEZWGBDMSA-N 2 0 310.441 3.654 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1SC ZINC000873259425 1031777313 /nfs/dbraw/zinc/77/73/13/1031777313.db2.gz DUTOHUPJZITIRT-UGQVUOCMSA-N 2 0 320.502 3.598 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1OCCC ZINC000873258782 1031777625 /nfs/dbraw/zinc/77/76/25/1031777625.db2.gz USGRYRUXVWXBFP-BFYDXBDKSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000873260337 1031779248 /nfs/dbraw/zinc/77/92/48/1031779248.db2.gz YRXIOOSXZDVYOO-RKLWJJNISA-N 2 0 312.379 3.887 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC000873268325 1031781676 /nfs/dbraw/zinc/78/16/76/1031781676.db2.gz VBAJHSFGXXPGJT-NEPJUHHUSA-N 2 0 316.367 3.624 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)c2ccccc21 ZINC000873276718 1031783512 /nfs/dbraw/zinc/78/35/12/1031783512.db2.gz WEAVKXYMDCTNHA-QHAWAJNXSA-N 2 0 321.468 3.917 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000873273114 1031784351 /nfs/dbraw/zinc/78/43/51/1031784351.db2.gz YFGUGAPNYWYCLA-IHRRRGAJSA-N 2 0 317.502 3.766 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000873272680 1031785399 /nfs/dbraw/zinc/78/53/99/1031785399.db2.gz WDZYODBGAMSUEA-VHSXEESVSA-N 2 0 317.296 3.549 20 0 DHADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000845943105 1031787041 /nfs/dbraw/zinc/78/70/41/1031787041.db2.gz ZTXYPQWTYRBWMA-LXPRWKDFSA-N 2 0 310.526 3.824 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ccccc1OC(F)(F)F ZINC000846217756 1031931271 /nfs/dbraw/zinc/93/12/71/1031931271.db2.gz ORAWTUXMTVNFOV-UHFFFAOYSA-N 2 0 304.356 3.536 20 0 DHADRP CC(C)C[N@H+](CCCCCC[NH3+])[C@H]1CCCc2cccnc21 ZINC000846220720 1031934271 /nfs/dbraw/zinc/93/42/71/1031934271.db2.gz NRKAQHCWTDYGRT-SFHVURJKSA-N 2 0 303.494 3.936 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898111194 1031951523 /nfs/dbraw/zinc/95/15/23/1031951523.db2.gz INFOHKNLCNIYRK-QRQLOZEOSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1ncccc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000898255493 1032003928 /nfs/dbraw/zinc/00/39/28/1032003928.db2.gz KEEGNFPFBDRFDR-UZLBHIALSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044534139 1032052899 /nfs/dbraw/zinc/05/28/99/1032052899.db2.gz IYNDTNVUOSHBPF-VXGBXAGGSA-N 2 0 301.261 3.986 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172717714 1033322458 /nfs/dbraw/zinc/32/24/58/1033322458.db2.gz RTOVTRUQFRGNJB-IBGZPJMESA-N 2 0 320.908 3.765 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172717717 1033323223 /nfs/dbraw/zinc/32/32/23/1033323223.db2.gz RTOVTRUQFRGNJB-LJQANCHMSA-N 2 0 320.908 3.765 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000877496819 1033325235 /nfs/dbraw/zinc/32/52/35/1033325235.db2.gz ZHDDWIUCXKFVDT-XIRDDKMYSA-N 2 0 308.416 3.532 20 0 DHADRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172727767 1033333177 /nfs/dbraw/zinc/33/31/77/1033333177.db2.gz QCGZRZOQHKZFCL-UHFFFAOYSA-N 2 0 323.569 3.965 20 0 DHADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000539382821 1033341772 /nfs/dbraw/zinc/34/17/72/1033341772.db2.gz QSTUZIZGCFRMFX-ICSRJNTNSA-N 2 0 300.490 3.673 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H]3CCC[NH2+]CC3)cs2)cs1 ZINC000643522809 1033345257 /nfs/dbraw/zinc/34/52/57/1033345257.db2.gz SQACQTNMCUSIRJ-RISCZKNCSA-N 2 0 321.515 3.973 20 0 DHADRP c1ccc(-c2cccnc2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168360355 1033365969 /nfs/dbraw/zinc/36/59/69/1033365969.db2.gz OTOBWJYMDFUIMB-UHFFFAOYSA-N 2 0 321.468 3.713 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cc2nc(Cl)ccc2s1)C1CC1 ZINC000877578192 1033366203 /nfs/dbraw/zinc/36/62/03/1033366203.db2.gz YBWMRIIZXUHYPX-UHFFFAOYSA-N 2 0 323.893 3.914 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172818471 1033381645 /nfs/dbraw/zinc/38/16/45/1033381645.db2.gz NIGJWBBYAWJOBQ-IOJLRTSASA-N 2 0 300.490 3.719 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C(C)C)CC1)CC2 ZINC001172824986 1033385675 /nfs/dbraw/zinc/38/56/75/1033385675.db2.gz CESVCRKRUVLZAY-FQEVSTJZSA-N 2 0 300.490 3.562 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)CC2 ZINC001172826966 1033390119 /nfs/dbraw/zinc/39/01/19/1033390119.db2.gz YLUHRBONZXDDTR-HXUWFJFHSA-N 2 0 300.490 3.564 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(CC3CCCC3)C1)CC2 ZINC001172827563 1033390529 /nfs/dbraw/zinc/39/05/29/1033390529.db2.gz CJVIJBISPGNXRI-SFTDATJTSA-N 2 0 312.501 3.706 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)CC2 ZINC001172825257 1033390571 /nfs/dbraw/zinc/39/05/71/1033390571.db2.gz FATCGTPJOZTBHQ-NRFANRHFSA-N 2 0 308.469 3.704 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)CC2 ZINC001172838283 1033406533 /nfs/dbraw/zinc/40/65/33/1033406533.db2.gz NSTQIGCTPJWUCU-GQOXECLESA-N 2 0 300.490 3.562 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](C)CCC[NH+]1CCCC1 ZINC001172869231 1033407635 /nfs/dbraw/zinc/40/76/35/1033407635.db2.gz NUGSMWYLUXDFMV-AWEZNQCLSA-N 2 0 312.860 3.828 20 0 DHADRP c1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000877696893 1033412225 /nfs/dbraw/zinc/41/22/25/1033412225.db2.gz AKESOCHSCYIQDY-UHFFFAOYSA-N 2 0 315.486 3.535 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000151124752 1033419363 /nfs/dbraw/zinc/41/93/63/1033419363.db2.gz PEHGQXPHHNFRBK-FUHWJXTLSA-N 2 0 314.473 3.754 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000152676023 1033425706 /nfs/dbraw/zinc/42/57/06/1033425706.db2.gz XZYWGBJEYCVZLM-KXBFYZLASA-N 2 0 306.469 3.713 20 0 DHADRP CC[C@H]1C[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795122 1033455093 /nfs/dbraw/zinc/45/50/93/1033455093.db2.gz ZZNUOVCCNYYOPP-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535666 1033471340 /nfs/dbraw/zinc/47/13/40/1033471340.db2.gz HNJBYAMKRCZAIU-JQHSSLGASA-N 2 0 318.892 3.783 20 0 DHADRP c1ccc(C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536836 1033475661 /nfs/dbraw/zinc/47/56/61/1033475661.db2.gz WWOGTIJIDZKNPV-VQTJNVASSA-N 2 0 306.453 3.702 20 0 DHADRP CC[NH+]1CCC(CC2CC[NH+]([C@H]3CCC[C@H](OC)C3)CC2)CC1 ZINC001172950286 1033491354 /nfs/dbraw/zinc/49/13/54/1033491354.db2.gz MFRKNZKSAZKUFW-PMACEKPBSA-N 2 0 322.537 3.778 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C[C@](C)(C[NH3+])C1 ZINC001173041965 1033507315 /nfs/dbraw/zinc/50/73/15/1033507315.db2.gz PXQAYZCWDCPRBC-MJGOQNOKSA-N 2 0 322.537 3.859 20 0 DHADRP CC(C)[N@@H+](C1CCC2(CCOCC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173044938 1033509904 /nfs/dbraw/zinc/50/99/04/1033509904.db2.gz YWMZKSHPUXEQQS-QAQDUYKDSA-N 2 0 308.510 3.706 20 0 DHADRP C([NH2+]C1CCC2(CCOCC2)CC1)C1CC[NH+](C2CCC2)CC1 ZINC001173044640 1033509922 /nfs/dbraw/zinc/50/99/22/1033509922.db2.gz GTJVSSJBYYZNQG-UHFFFAOYSA-N 2 0 320.521 3.580 20 0 DHADRP CCCOC1CCC([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001173090155 1033520915 /nfs/dbraw/zinc/52/09/15/1033520915.db2.gz SYGXSBNXWQDJPX-UHFFFAOYSA-N 2 0 318.505 3.618 20 0 DHADRP CCCOC1CCC([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001173090144 1033521743 /nfs/dbraw/zinc/52/17/43/1033521743.db2.gz STOWOJFDPGPXDA-MPLMCADHSA-N 2 0 310.526 3.858 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000152452408 1033523165 /nfs/dbraw/zinc/52/31/65/1033523165.db2.gz KFTLBNKEKOAYHL-XJKSGUPXSA-N 2 0 324.415 3.813 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC001173102952 1033540898 /nfs/dbraw/zinc/54/08/98/1033540898.db2.gz DXGRILSVOIQJKV-LADRWXRNSA-N 2 0 316.489 3.925 20 0 DHADRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2ccc(F)c(F)c2)CC1 ZINC001173101290 1033541126 /nfs/dbraw/zinc/54/11/26/1033541126.db2.gz FSDBYQVFEVFTKH-UHFFFAOYSA-N 2 0 309.404 3.533 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC1 ZINC001173101936 1033541207 /nfs/dbraw/zinc/54/12/07/1033541207.db2.gz PUUCTNUNCULLPK-UHFFFAOYSA-N 3 0 309.542 3.620 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173106104 1033542986 /nfs/dbraw/zinc/54/29/86/1033542986.db2.gz IEQOUHCMWVVRAR-MXYYQSCMSA-N 3 0 321.553 3.764 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001173105463 1033543606 /nfs/dbraw/zinc/54/36/06/1033543606.db2.gz UFHIHUONYWEHHU-VCAKUFKGSA-N 3 0 323.569 3.597 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3c(ccn3C)c2)CC1 ZINC001173106292 1033543674 /nfs/dbraw/zinc/54/36/74/1033543674.db2.gz SMAQVGHCBDDRLO-UHFFFAOYSA-N 2 0 313.489 3.921 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc3ccncc32)CC1 ZINC001173107926 1033544829 /nfs/dbraw/zinc/54/48/29/1033544829.db2.gz SMYXRVONKRPUOZ-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2cccnc2F)C2CC2)CC1 ZINC001173109900 1033545762 /nfs/dbraw/zinc/54/57/62/1033545762.db2.gz JTWYQTLUMBZRAX-LEOMRAHMSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCCc3cnccc32)CC1 ZINC001173109317 1033546343 /nfs/dbraw/zinc/54/63/43/1033546343.db2.gz BVDMOEHGLCNFOR-FAFZWHIHSA-N 2 0 301.478 3.702 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001173111716 1033547357 /nfs/dbraw/zinc/54/73/57/1033547357.db2.gz KGXFDJUQJKGQTN-VIQWUECVSA-N 2 0 301.478 3.524 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC3(CCOCC3)CC2)CC1 ZINC001173113417 1033549286 /nfs/dbraw/zinc/54/92/86/1033549286.db2.gz PUGCBHHCCXMNAW-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP CCSC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001173315651 1033710504 /nfs/dbraw/zinc/71/05/04/1033710504.db2.gz RWVOUOMSZDFWAX-QXAKKESOSA-N 2 0 318.530 3.582 20 0 DHADRP CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2[nH+]1 ZINC000553634847 1033766427 /nfs/dbraw/zinc/76/64/27/1033766427.db2.gz CJQLQADLPTZBNP-SJPCQFCGSA-N 2 0 309.457 3.859 20 0 DHADRP Cc1ncn(C2CCC3(CCc4ccccc43)CC2)c1CC[NH3+] ZINC001173687825 1033829205 /nfs/dbraw/zinc/82/92/05/1033829205.db2.gz ULEVMJNHSUHOLE-UHFFFAOYSA-N 2 0 309.457 3.692 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC000479763457 1033893818 /nfs/dbraw/zinc/89/38/18/1033893818.db2.gz BCONQTKFMSYSBF-HKUYNNGSSA-N 2 0 308.510 3.604 20 0 DHADRP C[C@@H]1C[N@H+](CCc2ccc(C(F)(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205985198 1033974395 /nfs/dbraw/zinc/97/43/95/1033974395.db2.gz WNVTVWHQRLNSTL-UKRRQHHQSA-N 2 0 314.395 3.555 20 0 DHADRP CC(C)C[N@@H+](Cc1ccc(Cl)cn1)CC1CC[NH+](C)CC1 ZINC000879704321 1034092377 /nfs/dbraw/zinc/09/23/77/1034092377.db2.gz OWVRQKVBJJEWSU-UHFFFAOYSA-N 2 0 309.885 3.535 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863544841 1034123017 /nfs/dbraw/zinc/12/30/17/1034123017.db2.gz CNQGTSCBYKSPQA-DOMZBBRYSA-N 2 0 307.388 3.644 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863547963 1034125971 /nfs/dbraw/zinc/12/59/71/1034125971.db2.gz SQQUAUQSXNJTGT-IUODEOHRSA-N 2 0 307.388 3.514 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546724 1034126005 /nfs/dbraw/zinc/12/60/05/1034126005.db2.gz NGXUIMDROZYJGT-HUUCEWRRSA-N 2 0 307.388 3.786 20 0 DHADRP FC(F)n1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000863547545 1034126712 /nfs/dbraw/zinc/12/67/12/1034126712.db2.gz PSXFOPAJBXVEFX-VNHYZAJKSA-N 2 0 319.399 3.514 20 0 DHADRP COC[C@@H](C)[N@H+](CCCCCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000863574047 1034132053 /nfs/dbraw/zinc/13/20/53/1034132053.db2.gz ZTSGFXSXLPOSOK-VQIMIIECSA-N 2 0 304.478 3.530 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000480235595 1034144478 /nfs/dbraw/zinc/14/44/78/1034144478.db2.gz SZOOUEWXRGKPOQ-BBWFWOEESA-N 2 0 318.505 3.820 20 0 DHADRP CC(C)c1cc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000879920024 1034161089 /nfs/dbraw/zinc/16/10/89/1034161089.db2.gz VKNPEVIHGGZAMY-QGZVFWFLSA-N 2 0 318.509 3.589 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000177733114 1034178921 /nfs/dbraw/zinc/17/89/21/1034178921.db2.gz VGGKFAGFIYFKBV-OAHLLOKOSA-N 2 0 310.441 3.534 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000178184447 1034216919 /nfs/dbraw/zinc/21/69/19/1034216919.db2.gz XWPPCLMOFDMFHQ-GGPKGHCWSA-N 2 0 318.505 3.517 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(C)c1 ZINC000667666947 1034222425 /nfs/dbraw/zinc/22/24/25/1034222425.db2.gz BVBNTLKNFZYUGZ-SJLPKXTDSA-N 2 0 304.478 3.698 20 0 DHADRP CC[N@H+](C)Cc1cccc(CNc2cc[nH+]c3ccccc23)c1 ZINC000480394982 1034227671 /nfs/dbraw/zinc/22/76/71/1034227671.db2.gz LRPSFRDBTFTKPY-UHFFFAOYSA-N 2 0 305.425 3.721 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000480456233 1034251305 /nfs/dbraw/zinc/25/13/05/1034251305.db2.gz XURYHRQYJGSLNY-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP CCC1([NH+]2CCCCC2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000880255406 1034266414 /nfs/dbraw/zinc/26/64/14/1034266414.db2.gz KJBSRJKKCRVKNC-UHFFFAOYSA-N 2 0 321.553 3.593 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000880255673 1034267853 /nfs/dbraw/zinc/26/78/53/1034267853.db2.gz UKWGABGSWDTGEE-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Cl)nc1 ZINC000179126887 1034284404 /nfs/dbraw/zinc/28/44/04/1034284404.db2.gz WLBZGXONNQFKBW-LBPRGKRZSA-N 2 0 321.827 3.787 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000480611478 1034340394 /nfs/dbraw/zinc/34/03/94/1034340394.db2.gz KUTORLVYFHSXJW-HZPDHXFCSA-N 2 0 322.468 3.997 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000480607257 1034348936 /nfs/dbraw/zinc/34/89/36/1034348936.db2.gz FBTRVSXKEHLTRV-OXQOHEQNSA-N 2 0 316.489 3.784 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000480631580 1034367047 /nfs/dbraw/zinc/36/70/47/1034367047.db2.gz PQPNPDOAAGJODK-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC000480670586 1034381998 /nfs/dbraw/zinc/38/19/98/1034381998.db2.gz QUUQBHAILREPJY-UMVBOHGHSA-N 2 0 306.416 3.818 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000554981415 1034452846 /nfs/dbraw/zinc/45/28/46/1034452846.db2.gz COLRLFHWBKGCDM-ICSRJNTNSA-N 2 0 318.505 3.692 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000184267353 1034459623 /nfs/dbraw/zinc/45/96/23/1034459623.db2.gz UEEZWJOHKFCYHX-KRWDZBQOSA-N 2 0 309.457 3.837 20 0 DHADRP CC[C@H](COC)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480905350 1034497355 /nfs/dbraw/zinc/49/73/55/1034497355.db2.gz XEYMWCQZNQXJRX-LJQANCHMSA-N 2 0 318.505 3.966 20 0 DHADRP CC(C)(C[NH2+]Cc1cccc(-c2ccncc2)c1)C[NH+]1CCCC1 ZINC000480916226 1034504865 /nfs/dbraw/zinc/50/48/65/1034504865.db2.gz UZAKJUYCIWGDQG-UHFFFAOYSA-N 2 0 323.484 3.960 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480969422 1034537206 /nfs/dbraw/zinc/53/72/06/1034537206.db2.gz IIIKPAXQSZPARR-CYBMUJFWSA-N 2 0 312.404 3.623 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000481055974 1034571677 /nfs/dbraw/zinc/57/16/77/1034571677.db2.gz UWYYAJQTNVDPHF-MJGOQNOKSA-N 2 0 306.469 3.714 20 0 DHADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000186566878 1034644851 /nfs/dbraw/zinc/64/48/51/1034644851.db2.gz SIZAMPUNZBOACM-UONOGXRCSA-N 2 0 324.871 3.973 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162865578 1034694574 /nfs/dbraw/zinc/69/45/74/1034694574.db2.gz MNJCYKSHZZIBOH-KSZLIROESA-N 2 0 304.478 3.535 20 0 DHADRP Fc1ccc(CCCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000187759312 1034730456 /nfs/dbraw/zinc/73/04/56/1034730456.db2.gz HMQTVDLPGQIGRW-RBUKOAKNSA-N 2 0 304.453 3.755 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC(C)(C)O1 ZINC001175063421 1034754255 /nfs/dbraw/zinc/75/42/55/1034754255.db2.gz YVJCCFFQCICIDM-GOSISDBHSA-N 2 0 304.478 3.528 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000481541196 1034873347 /nfs/dbraw/zinc/87/33/47/1034873347.db2.gz AAVWOYRUEGCRMM-VQIMIIECSA-N 2 0 318.480 3.957 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCCc2cccnc2)CC1 ZINC001175362485 1034953252 /nfs/dbraw/zinc/95/32/52/1034953252.db2.gz VMKJRBUGVOPDEW-FQEVSTJZSA-N 2 0 315.505 3.601 20 0 DHADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481912863 1035032024 /nfs/dbraw/zinc/03/20/24/1035032024.db2.gz ZLKANCLQPAHEKJ-ZFWWWQNUSA-N 2 0 314.395 3.710 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000481912550 1035032078 /nfs/dbraw/zinc/03/20/78/1035032078.db2.gz YAOAXQSTXPCJGU-GOSISDBHSA-N 2 0 302.506 3.919 20 0 DHADRP Cc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CCCC2)c1 ZINC000481931322 1035036519 /nfs/dbraw/zinc/03/65/19/1035036519.db2.gz IIBFKGHWFAYGIS-PKOBYXMFSA-N 2 0 300.490 3.737 20 0 DHADRP Cc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CCCC2)c1 ZINC000481939294 1035037055 /nfs/dbraw/zinc/03/70/55/1035037055.db2.gz JVEZHTOFWJVFAO-IEBWSBKVSA-N 2 0 300.490 3.879 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC001175600859 1035038736 /nfs/dbraw/zinc/03/87/36/1035038736.db2.gz DGXNFQDRHBVZLA-LJQANCHMSA-N 2 0 303.494 3.504 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)N[C@@H](C)CC[NH+](C)C)c1 ZINC000481963495 1035040924 /nfs/dbraw/zinc/04/09/24/1035040924.db2.gz RAQMBSXHJYPIJR-QWHCGFSZSA-N 2 0 300.393 3.587 20 0 DHADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000482170548 1035063334 /nfs/dbraw/zinc/06/33/34/1035063334.db2.gz NDIWAMBHVJCHFV-ZGXWSNOMSA-N 2 0 322.537 3.943 20 0 DHADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000482170544 1035064149 /nfs/dbraw/zinc/06/41/49/1035064149.db2.gz NDIWAMBHVJCHFV-MTQWCTHYSA-N 2 0 322.537 3.943 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)C(F)(F)F ZINC000482313568 1035083346 /nfs/dbraw/zinc/08/33/46/1035083346.db2.gz VFDGKKZAYGBZQG-IJEWVQPXSA-N 2 0 314.395 3.685 20 0 DHADRP CC(C)CSCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000158588418 1035099990 /nfs/dbraw/zinc/09/99/90/1035099990.db2.gz BNMHUOMQYROQBO-SJLPKXTDSA-N 2 0 310.551 3.714 20 0 DHADRP C[C@H]1C[N@H+](Cc2cccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001175769109 1035114575 /nfs/dbraw/zinc/11/45/75/1035114575.db2.gz PPERAZAPLFBQJM-KRWDZBQOSA-N 2 0 317.436 3.946 20 0 DHADRP CC(=O)c1cccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640535024 1035182130 /nfs/dbraw/zinc/18/21/30/1035182130.db2.gz YOGRVAWXZNLOKV-UHFFFAOYSA-N 2 0 302.462 3.587 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000924781323 1035183549 /nfs/dbraw/zinc/18/35/49/1035183549.db2.gz CYDPWNWDHZEIJW-GOSISDBHSA-N 2 0 323.484 3.514 20 0 DHADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000482864812 1035188271 /nfs/dbraw/zinc/18/82/71/1035188271.db2.gz BOIRWAVTXPAXBJ-MOPGFXCFSA-N 2 0 310.526 3.562 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2sccc2C)[C@H](C)C1 ZINC000483135394 1035232088 /nfs/dbraw/zinc/23/20/88/1035232088.db2.gz OZFHCZVWYRTEMX-ZACQAIPSSA-N 2 0 324.534 3.844 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2sccc2C)[C@@H](C)C1 ZINC000483135388 1035232932 /nfs/dbraw/zinc/23/29/32/1035232932.db2.gz OZFHCZVWYRTEMX-BBWFWOEESA-N 2 0 324.534 3.844 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000483178505 1035235981 /nfs/dbraw/zinc/23/59/81/1035235981.db2.gz AIYOEMSUWAHRHJ-GUYCJALGSA-N 2 0 310.457 3.851 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(N2CCCC2)c1 ZINC000162437378 1035242659 /nfs/dbraw/zinc/24/26/59/1035242659.db2.gz BYVRAKOCCNJQDU-GOSISDBHSA-N 2 0 315.505 3.813 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2(OC)CCCC2)CC1)CC1CC1 ZINC000483255064 1035247036 /nfs/dbraw/zinc/24/70/36/1035247036.db2.gz OGGDXLOABUWQIF-UHFFFAOYSA-N 2 0 322.537 3.780 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1F ZINC001168368197 1035293879 /nfs/dbraw/zinc/29/38/79/1035293879.db2.gz CHTLVHUVXPQVGU-UHFFFAOYSA-N 2 0 318.480 3.858 20 0 DHADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000484473907 1035344811 /nfs/dbraw/zinc/34/48/11/1035344811.db2.gz JBPDVEJLAQLWNS-TWOQFEAHSA-N 2 0 309.457 3.739 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000484478490 1035344863 /nfs/dbraw/zinc/34/48/63/1035344863.db2.gz CKMTZVICDTXMFI-AABGKKOBSA-N 2 0 300.490 3.779 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001206293477 1035349086 /nfs/dbraw/zinc/34/90/86/1035349086.db2.gz HWRPHCHKRYRPTP-MRXNPFEDSA-N 2 0 314.395 3.699 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000484510815 1035350987 /nfs/dbraw/zinc/35/09/87/1035350987.db2.gz JXROJWLDUZWFHP-OXQOHEQNSA-N 2 0 312.457 3.539 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC001177299664 1035361258 /nfs/dbraw/zinc/36/12/58/1035361258.db2.gz YMUHLJPHDSYNGO-HFTQHKIXSA-N 2 0 304.453 3.941 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]CCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc21 ZINC001177294910 1035361307 /nfs/dbraw/zinc/36/13/07/1035361307.db2.gz RXIPUBGPTLRQIJ-HOTGVXAUSA-N 2 0 313.489 3.934 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001177299426 1035361428 /nfs/dbraw/zinc/36/14/28/1035361428.db2.gz PWPAMDLWTCHSTP-OAHLLOKOSA-N 2 0 321.534 3.624 20 0 DHADRP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC001177319099 1035363874 /nfs/dbraw/zinc/36/38/74/1035363874.db2.gz VNZWYTNKKAVBDK-AEFFLSMTSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C[NH+]1CCCCC1 ZINC001177416588 1035369523 /nfs/dbraw/zinc/36/95/23/1035369523.db2.gz TUZCKWHBWPCIPU-HOJAQTOUSA-N 2 0 322.537 3.683 20 0 DHADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000904388708 1035407815 /nfs/dbraw/zinc/40/78/15/1035407815.db2.gz NPPKMXNBYVUKDJ-MUYFXNHWSA-N 3 0 309.542 3.527 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(SC(F)(F)F)c1 ZINC000904386346 1035409600 /nfs/dbraw/zinc/40/96/00/1035409600.db2.gz WYBZPUWZLOPPCQ-JBLDHEPKSA-N 2 0 304.381 3.686 20 0 DHADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000904404960 1035410603 /nfs/dbraw/zinc/41/06/03/1035410603.db2.gz CBOAACDCAYEAAD-SNVBAGLBSA-N 2 0 306.759 3.530 20 0 DHADRP Cc1c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cccc1C(F)(F)F ZINC001206317775 1035412335 /nfs/dbraw/zinc/41/23/35/1035412335.db2.gz IOOILVCGGXSELL-INIZCTEOSA-N 2 0 314.395 3.965 20 0 DHADRP CC(C)([NH3+])c1ccc(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000904477353 1035418620 /nfs/dbraw/zinc/41/86/20/1035418620.db2.gz UQUVNYLCZOAHOK-MOPGFXCFSA-N 2 0 309.457 3.786 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476196 1035418757 /nfs/dbraw/zinc/41/87/57/1035418757.db2.gz SCLZTRHSKALLOP-TZIWHRDSSA-N 2 0 322.452 3.649 20 0 DHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)CC(C)C)CC1 ZINC001178272320 1035419948 /nfs/dbraw/zinc/41/99/48/1035419948.db2.gz OYRJTQPAXBPVTL-SFHVURJKSA-N 2 0 317.521 3.743 20 0 DHADRP CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178746970 1035444730 /nfs/dbraw/zinc/44/47/30/1035444730.db2.gz IRKYFOVVNLBIJG-ROUUACIJSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@@H](CC[NH2+]Cc1ccc(-c2ccccc2F)s1)[NH+](C)C ZINC001179265701 1035471343 /nfs/dbraw/zinc/47/13/43/1035471343.db2.gz BKMDGQOVJIRXRZ-ZDUSSCGKSA-N 2 0 306.450 3.984 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000069671119 1035494773 /nfs/dbraw/zinc/49/47/73/1035494773.db2.gz QFXPQOHNVPNXER-NRFANRHFSA-N 2 0 324.468 3.868 20 0 DHADRP Cc1cc(Cl)cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001179789341 1035502473 /nfs/dbraw/zinc/50/24/73/1035502473.db2.gz PEFHOEQNIHZWQN-UHFFFAOYSA-N 2 0 315.848 3.802 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168465747 1035536697 /nfs/dbraw/zinc/53/66/97/1035536697.db2.gz VXWYOWNSGDEYAT-MRXNPFEDSA-N 2 0 306.469 3.858 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000222437076 1035541322 /nfs/dbraw/zinc/54/13/22/1035541322.db2.gz BZYUKWJWYGBCQZ-RBSFLKMASA-N 2 0 306.416 3.819 20 0 DHADRP CC[C@](C)(C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)OC ZINC001180052733 1035576468 /nfs/dbraw/zinc/57/64/68/1035576468.db2.gz UQNJOYPICMPAFR-HXUWFJFHSA-N 2 0 318.505 3.646 20 0 DHADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC001180083416 1035590885 /nfs/dbraw/zinc/59/08/85/1035590885.db2.gz YWHFCIDROOAWAZ-GUDVDZBRSA-N 2 0 310.526 3.636 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC2(C)C)[C@@H](C)C1 ZINC001193648373 1035692785 /nfs/dbraw/zinc/69/27/85/1035692785.db2.gz FQTQSOGYCSGFOI-OTWHNJEPSA-N 2 0 324.553 3.929 20 0 DHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000191570357 1035702991 /nfs/dbraw/zinc/70/29/91/1035702991.db2.gz UUAMPLAPNJPBSW-MOPGFXCFSA-N 2 0 323.569 3.597 20 0 DHADRP COc1ccc([C@@H](C)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000539406780 1035720014 /nfs/dbraw/zinc/72/00/14/1035720014.db2.gz DLDAEPASCPLYNS-WMZOPIPTSA-N 2 0 304.478 3.605 20 0 DHADRP CC(C)C[C@H](C)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668513528 1035722948 /nfs/dbraw/zinc/72/29/48/1035722948.db2.gz SXSMJUKHUSOHMT-KRWDZBQOSA-N 2 0 303.494 3.565 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204278769 1035752454 /nfs/dbraw/zinc/75/24/54/1035752454.db2.gz HACXJDOJKQXKNR-ICSRJNTNSA-N 2 0 314.517 3.943 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001180801821 1035768686 /nfs/dbraw/zinc/76/86/86/1035768686.db2.gz KOUVKTFKPACCPJ-YLJYHZDGSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)[NH+]1CCCCC1 ZINC001180811554 1035768722 /nfs/dbraw/zinc/76/87/22/1035768722.db2.gz SEGRRZXUKHSCFO-KZNAEPCWSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651576 1035814698 /nfs/dbraw/zinc/81/46/98/1035814698.db2.gz HAYGKBFXZYDXGA-ZYHUDNBSSA-N 2 0 319.251 3.939 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccccc2OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205651396 1035829749 /nfs/dbraw/zinc/82/97/49/1035829749.db2.gz DOCDXYSXOCRHGS-JKSUJKDBSA-N 2 0 304.478 3.671 20 0 DHADRP COC1CCC(C[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001181275756 1035880693 /nfs/dbraw/zinc/88/06/93/1035880693.db2.gz FWIBCZUWOPACHS-CUYAVPTFSA-N 2 0 308.510 3.578 20 0 DHADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@H]3CCc4ccccc43)C2)cc1 ZINC001181349936 1035902452 /nfs/dbraw/zinc/90/24/52/1035902452.db2.gz OCLWCITWMDOWHQ-TZIWHRDSSA-N 2 0 320.480 3.828 20 0 DHADRP C[C@H](C[NH2+][C@H](C)c1ccccc1N(C)C)C[NH+]1CCCCC1 ZINC000539859504 1035905233 /nfs/dbraw/zinc/90/52/33/1035905233.db2.gz FPGHEUUOGMNBBH-IAGOWNOFSA-N 2 0 303.494 3.525 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001181426948 1035909561 /nfs/dbraw/zinc/90/95/61/1035909561.db2.gz HUQSXRIKJGAWDN-HNNXBMFYSA-N 2 0 324.459 3.998 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3c(cccc3O)s2)C1 ZINC001181534519 1035933656 /nfs/dbraw/zinc/93/36/56/1035933656.db2.gz MDFKLABJRNGWIJ-BBRMVZONSA-N 2 0 316.470 3.523 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000540259589 1036025544 /nfs/dbraw/zinc/02/55/44/1036025544.db2.gz SAOCTDIUVXAUIX-DNVCBOLYSA-N 2 0 304.453 3.988 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000495019354 1036189260 /nfs/dbraw/zinc/18/92/60/1036189260.db2.gz PURNEVIUFWYHDX-WCVJEAGWSA-N 2 0 300.437 3.664 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000495019352 1036190343 /nfs/dbraw/zinc/19/03/43/1036190343.db2.gz PURNEVIUFWYHDX-LVQVYYBASA-N 2 0 300.437 3.664 20 0 DHADRP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000540983709 1036205663 /nfs/dbraw/zinc/20/56/63/1036205663.db2.gz UZQSXMXVIFBNRG-OAHLLOKOSA-N 2 0 300.437 3.951 20 0 DHADRP CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540991164 1036209222 /nfs/dbraw/zinc/20/92/22/1036209222.db2.gz ZLRRAJJUAATWTD-PWIZWCRZSA-N 2 0 318.505 3.558 20 0 DHADRP c1ccc2c(c1)CC[C@@H](C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2 ZINC000541053494 1036229984 /nfs/dbraw/zinc/22/99/84/1036229984.db2.gz IOVKYNLFYWAWOI-LJQANCHMSA-N 2 0 312.501 3.599 20 0 DHADRP [NH3+]CCC1CC[NH+](CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001206500973 1036242293 /nfs/dbraw/zinc/24/22/93/1036242293.db2.gz YMYTYJKXFWIHOY-UHFFFAOYSA-N 2 0 315.288 3.987 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464068875 1036260203 /nfs/dbraw/zinc/26/02/03/1036260203.db2.gz SHZJWBBDMFOQFL-ZWKOTPCHSA-N 2 0 300.490 3.890 20 0 DHADRP c1ccc([C@H]2CC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000668631666 1036297058 /nfs/dbraw/zinc/29/70/58/1036297058.db2.gz VDVFKFKGDNFLSC-WOJBJXKFSA-N 2 0 307.441 3.586 20 0 DHADRP CC[NH+](CC)Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000774374826 1036302601 /nfs/dbraw/zinc/30/26/01/1036302601.db2.gz MBYZEUQTLJDYKW-YQQQUEKLSA-N 2 0 301.478 3.566 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000486686791 1036358776 /nfs/dbraw/zinc/35/87/76/1036358776.db2.gz TWXAYHCBYKOZEK-KRWDZBQOSA-N 2 0 305.441 3.763 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486709880 1036368318 /nfs/dbraw/zinc/36/83/18/1036368318.db2.gz SHAPLHKTNCADSL-AWEZNQCLSA-N 2 0 305.441 3.907 20 0 DHADRP C[C@@H]([NH2+]CCc1cccc(F)c1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599139 1036375499 /nfs/dbraw/zinc/37/54/99/1036375499.db2.gz IELOYBUGIRXFNV-GDBMZVCRSA-N 2 0 322.443 3.750 20 0 DHADRP C[C@H]([NH2+]CCc1cccc(F)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599141 1036376120 /nfs/dbraw/zinc/37/61/20/1036376120.db2.gz IELOYBUGIRXFNV-HOCLYGCPSA-N 2 0 322.443 3.750 20 0 DHADRP C[C@H](CC[NH2+]CCCc1c(Cl)cccc1Cl)[NH+](C)C ZINC001183105201 1036523893 /nfs/dbraw/zinc/52/38/93/1036523893.db2.gz ZYWOEFPIKODYIR-GFCCVEGCSA-N 2 0 303.277 3.856 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC001183146240 1036526907 /nfs/dbraw/zinc/52/69/07/1036526907.db2.gz ROYCQAWKOCNUDU-UXHICEINSA-N 2 0 300.490 3.890 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H]3CCCC[C@@H]32)(c2ccccc2)CC1 ZINC001183354944 1036572582 /nfs/dbraw/zinc/57/25/82/1036572582.db2.gz JDMSYQKARWKMJK-IHPCNDPISA-N 2 0 312.501 3.818 20 0 DHADRP C[NH+]1C[C@]2(C)CN(CCCc3ccccc3Cl)C[C@@]2(C)C1 ZINC001196632043 1036582296 /nfs/dbraw/zinc/58/22/96/1036582296.db2.gz LMTYUCXSVUWBEV-QZTJIDSGSA-N 2 0 306.881 3.546 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(Cl)cs2)cc1F ZINC000487547706 1036678121 /nfs/dbraw/zinc/67/81/21/1036678121.db2.gz AYPNXSGBZOYZQP-UHFFFAOYSA-N 2 0 312.841 3.892 20 0 DHADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924827657 1036733618 /nfs/dbraw/zinc/73/36/18/1036733618.db2.gz CSRBXYCBIJIXEY-VQTJNVASSA-N 2 0 318.505 3.678 20 0 DHADRP C[C@@H]1CN(Cc2ccc(Cl)cc2F)CCN1c1cc[nH+]cc1 ZINC001197377035 1036768486 /nfs/dbraw/zinc/76/84/86/1036768486.db2.gz JDUJPJVGMVSROY-CYBMUJFWSA-N 2 0 319.811 3.585 20 0 DHADRP CC[NH+](CC)CC[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC001184417387 1036841338 /nfs/dbraw/zinc/84/13/38/1036841338.db2.gz CRFAXEBZCPULPT-WSTZPKSXSA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000236643633 1036970304 /nfs/dbraw/zinc/97/03/04/1036970304.db2.gz OURZAHLECMMYCJ-UHFFFAOYSA-N 2 0 304.453 3.924 20 0 DHADRP Cc1[nH+]ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000307631185 1036994903 /nfs/dbraw/zinc/99/49/03/1036994903.db2.gz ZMNNCWXEBFJLRE-OAHLLOKOSA-N 2 0 301.821 3.730 20 0 DHADRP COC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925403152 1037030495 /nfs/dbraw/zinc/03/04/95/1037030495.db2.gz JGBOTCWRCZAWFT-OXJNMPFZSA-N 2 0 312.457 3.787 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488451560 1037033238 /nfs/dbraw/zinc/03/32/38/1037033238.db2.gz VMIUNMYWDGNXDD-BRWVUGGUSA-N 2 0 312.567 3.864 20 0 DHADRP C[C@@H]1C[C@H]1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000488472654 1037038259 /nfs/dbraw/zinc/03/82/59/1037038259.db2.gz XFCDGUHBKJFEPA-PBHICJAKSA-N 2 0 306.881 3.798 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CS1 ZINC000488587184 1037084848 /nfs/dbraw/zinc/08/48/48/1037084848.db2.gz YAORRBPWPRNPEG-OVWQWFNUSA-N 2 0 310.551 3.759 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347433115 1037190070 /nfs/dbraw/zinc/19/00/70/1037190070.db2.gz GOBBOCSNZCCUQI-CEXWTWQISA-N 2 0 308.510 3.532 20 0 DHADRP c1nc(C2CCCCC2)sc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666902426 1037194053 /nfs/dbraw/zinc/19/40/53/1037194053.db2.gz SKJZNZVBLRSGHV-OAHLLOKOSA-N 2 0 307.507 3.813 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310003465 1037200405 /nfs/dbraw/zinc/20/04/05/1037200405.db2.gz GINOZPZHPFTDHN-BHIYHBOVSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310003469 1037202174 /nfs/dbraw/zinc/20/21/74/1037202174.db2.gz GINOZPZHPFTDHN-NZSAHSFTSA-N 2 0 318.530 3.630 20 0 DHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC001199171099 1037209795 /nfs/dbraw/zinc/20/97/95/1037209795.db2.gz UZZMIQXXCHVMJU-ROUUACIJSA-N 2 0 323.569 3.597 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000493205627 1037253326 /nfs/dbraw/zinc/25/33/26/1037253326.db2.gz OFZYJSPPYAGQET-JZXOWHBKSA-N 2 0 306.519 3.876 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000177705319 1037261262 /nfs/dbraw/zinc/26/12/62/1037261262.db2.gz CRAKTWCQVAKZDY-IBGZPJMESA-N 2 0 302.437 3.621 20 0 DHADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000660113609 1037342160 /nfs/dbraw/zinc/34/21/60/1037342160.db2.gz CGZOIGINZQKHHJ-YZGWKJHDSA-N 2 0 320.521 3.530 20 0 DHADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@@H]3CCC=CO3)c2)CC1 ZINC000775013824 1037395962 /nfs/dbraw/zinc/39/59/62/1037395962.db2.gz QDQWVNXDEWEPRH-FQEVSTJZSA-N 2 0 314.473 3.701 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001200942423 1037481936 /nfs/dbraw/zinc/48/19/36/1037481936.db2.gz QZIJMTTUZGDIID-YZGWKJHDSA-N 2 0 318.505 3.692 20 0 DHADRP CCCC(CCC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397684390 1037485963 /nfs/dbraw/zinc/48/59/63/1037485963.db2.gz NCTKCDUZKQPWAE-UHFFFAOYSA-N 2 0 318.505 3.572 20 0 DHADRP COC[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000493842820 1037567791 /nfs/dbraw/zinc/56/77/91/1037567791.db2.gz IRFVXCLGJVVYKC-GOSISDBHSA-N 2 0 324.896 3.739 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000493893398 1037590572 /nfs/dbraw/zinc/59/05/72/1037590572.db2.gz FUKHORSHMKHTIG-AZUAARDMSA-N 2 0 318.505 3.864 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000493943692 1037598703 /nfs/dbraw/zinc/59/87/03/1037598703.db2.gz FISCIRVAVQKQRQ-UHFFFAOYSA-N 2 0 324.468 3.586 20 0 DHADRP CC1(C)[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H]2CCCO[C@H]21 ZINC000776155519 1037610178 /nfs/dbraw/zinc/61/01/78/1037610178.db2.gz FWRNDVXDEWKFFH-GUDVDZBRSA-N 2 0 322.537 3.826 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000776163533 1037633014 /nfs/dbraw/zinc/63/30/14/1037633014.db2.gz SWNWJOIUUQWEFL-JIARVOFWSA-N 2 0 320.521 3.577 20 0 DHADRP CC(C)(C)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC001201415615 1037656073 /nfs/dbraw/zinc/65/60/73/1037656073.db2.gz FVYVIJGAYKLHCG-HWMSQKFYSA-N 2 0 322.537 3.559 20 0 DHADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000776167355 1037668606 /nfs/dbraw/zinc/66/86/06/1037668606.db2.gz BMCQQEXGNLFNQH-ZGUYJTEBSA-N 2 0 310.526 3.680 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183726745 1037704626 /nfs/dbraw/zinc/70/46/26/1037704626.db2.gz ZQLCTYGSVGJFFC-NEXFUWMNSA-N 2 0 306.416 3.818 20 0 DHADRP C[N@H+](CCCc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235952442 1037706620 /nfs/dbraw/zinc/70/66/20/1037706620.db2.gz XRAASFULPNIWFR-CQSZACIVSA-N 2 0 315.288 3.857 20 0 DHADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCO1 ZINC000490587946 1037744338 /nfs/dbraw/zinc/74/43/38/1037744338.db2.gz JBDBDJUGWGBNIN-NSHGMRRFSA-N 2 0 322.537 3.778 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1(C)C ZINC000185261870 1037790753 /nfs/dbraw/zinc/79/07/53/1037790753.db2.gz JOGHNWZRPCVBBC-OGWHTMIXSA-N 2 0 322.537 3.821 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606204 1037806056 /nfs/dbraw/zinc/80/60/56/1037806056.db2.gz OYIPNUMKDIPPFE-FGZHOGPDSA-N 2 0 320.480 3.683 20 0 DHADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)ccc1Cl ZINC001201666718 1037822181 /nfs/dbraw/zinc/82/21/81/1037822181.db2.gz XDFLRXFSKVZVHX-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP Cc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1Cl ZINC001201659228 1037838600 /nfs/dbraw/zinc/83/86/00/1037838600.db2.gz SBCVZTBWEJDQGL-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP CCCc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201658510 1037840233 /nfs/dbraw/zinc/84/02/33/1037840233.db2.gz CNPNTSVXSGIDNA-UHFFFAOYSA-N 2 0 310.445 3.530 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123705049 1037861559 /nfs/dbraw/zinc/86/15/59/1037861559.db2.gz QGCXZEMEPZMPFS-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP CCSc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000186240730 1037883254 /nfs/dbraw/zinc/88/32/54/1037883254.db2.gz ZNNUTZRSEOPILG-QAPCUYQASA-N 2 0 306.519 3.961 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168463610 1037883621 /nfs/dbraw/zinc/88/36/21/1037883621.db2.gz AHHBEYYFVQQWQB-MNNVXMFVSA-N 2 0 306.469 3.999 20 0 DHADRP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186330634 1037888704 /nfs/dbraw/zinc/88/87/04/1037888704.db2.gz NBAWZKYTDJFAPP-QFBILLFUSA-N 2 0 317.521 3.530 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993870 1037943933 /nfs/dbraw/zinc/94/39/33/1037943933.db2.gz POPLWXJXFGDYSW-ZDUSSCGKSA-N 2 0 310.844 3.676 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125983681 1038008814 /nfs/dbraw/zinc/00/88/14/1038008814.db2.gz OYYQJCIPPATWIS-SJORKVTESA-N 2 0 304.478 3.856 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000189110387 1038064286 /nfs/dbraw/zinc/06/42/86/1038064286.db2.gz WVYNWQJSJBCMJV-VQTJNVASSA-N 2 0 312.501 3.863 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000126421651 1038065940 /nfs/dbraw/zinc/06/59/40/1038065940.db2.gz BNVXJYCLBNENJX-KSSFIOAISA-N 2 0 308.897 3.907 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)C1 ZINC000126566219 1038078105 /nfs/dbraw/zinc/07/81/05/1038078105.db2.gz GNWLPCGZNOYYEL-RHSMWYFYSA-N 2 0 322.880 3.794 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000126681151 1038084291 /nfs/dbraw/zinc/08/42/91/1038084291.db2.gz CNXUCYDNSLZLKY-APWZRJJASA-N 2 0 316.489 3.955 20 0 DHADRP C[N@H+](CCn1ccc2cc(Cl)ccc21)C[C@@H]1CCC[NH+](C)C1 ZINC001191174005 1038454429 /nfs/dbraw/zinc/45/44/29/1038454429.db2.gz MQUUNLRTDDDKHZ-OAHLLOKOSA-N 2 0 319.880 3.568 20 0 DHADRP CSC1(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC[NH+](C)CC1 ZINC000589349482 1038467769 /nfs/dbraw/zinc/46/77/69/1038467769.db2.gz FMIZWAOWWWZXMY-MAUKXSAKSA-N 2 0 318.530 3.727 20 0 DHADRP CSC1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCC1 ZINC000589503324 1038488234 /nfs/dbraw/zinc/48/82/34/1038488234.db2.gz SFGLSXMLSDTGMR-UHFFFAOYSA-N 2 0 310.551 3.860 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000572858317 1038514600 /nfs/dbraw/zinc/51/46/00/1038514600.db2.gz ZXKLTTAPTVVRKL-FOHMRKQQSA-N 2 0 312.501 3.921 20 0 DHADRP [NH3+]C[C@@]1(F)CCCN(Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001205570111 1038530013 /nfs/dbraw/zinc/53/00/13/1038530013.db2.gz GDKHKVWKAOOXMW-CQSZACIVSA-N 2 0 323.214 3.785 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205604011 1038683685 /nfs/dbraw/zinc/68/36/85/1038683685.db2.gz UDOUZTQHVCPAEO-WCQYABFASA-N 2 0 318.358 3.651 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000590786314 1038706053 /nfs/dbraw/zinc/70/60/53/1038706053.db2.gz QDMAFGMPCUIORT-HKUYNNGSSA-N 2 0 310.526 3.634 20 0 DHADRP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205616883 1038721390 /nfs/dbraw/zinc/72/13/90/1038721390.db2.gz HLBGVACZPXERJF-KBPBESRZSA-N 2 0 310.869 3.546 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000573167639 1038829519 /nfs/dbraw/zinc/82/95/19/1038829519.db2.gz RWFMTFPIIIBMAH-APWZRJJASA-N 2 0 312.461 3.976 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000573338600 1038913217 /nfs/dbraw/zinc/91/32/17/1038913217.db2.gz SMEHOWVPGNZFDI-QZTJIDSGSA-N 2 0 310.441 3.592 20 0 DHADRP CN(c1ccccc1)c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000591711965 1038969664 /nfs/dbraw/zinc/96/96/64/1038969664.db2.gz FWUOMPCNSORFLQ-UHFFFAOYSA-N 2 0 323.484 3.886 20 0 DHADRP CCN(C/C=C/c1ccccc1OC)CCC[NH+]1CCCC1 ZINC000573725344 1039060369 /nfs/dbraw/zinc/06/03/69/1039060369.db2.gz AJKBZFTYBSWXIG-DHZHZOJOSA-N 2 0 302.462 3.516 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168414923 1039081149 /nfs/dbraw/zinc/08/11/49/1039081149.db2.gz KSGLLMXEWMIRJE-HXUWFJFHSA-N 2 0 318.480 3.641 20 0 DHADRP c1ccc(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000599447980 1039157720 /nfs/dbraw/zinc/15/77/20/1039157720.db2.gz PEFXPRBONBEORV-UHFFFAOYSA-N 2 0 317.436 3.600 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604770839 1039534327 /nfs/dbraw/zinc/53/43/27/1039534327.db2.gz NKYPLGCQOXKYJP-SFHVURJKSA-N 2 0 306.494 3.930 20 0 DHADRP CCCOc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604771113 1039536259 /nfs/dbraw/zinc/53/62/59/1039536259.db2.gz XTCZYEWWIQYRGJ-GOSISDBHSA-N 2 0 306.494 3.931 20 0 DHADRP Cc1ccc(F)c(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000604891071 1039574808 /nfs/dbraw/zinc/57/48/08/1039574808.db2.gz DPTMPJOOOYHRFU-IRXDYDNUSA-N 2 0 306.469 3.982 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000574652309 1039756562 /nfs/dbraw/zinc/75/65/62/1039756562.db2.gz XIDBGUUJXVQOAM-JFIYKMOQSA-N 2 0 315.848 3.684 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNCc1cnc(C(C)(C)C)s1 ZINC000059180852 1039836793 /nfs/dbraw/zinc/83/67/93/1039836793.db2.gz GHNQDUUHFNGMFI-AWEZNQCLSA-N 2 0 309.523 3.795 20 0 DHADRP CCc1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447696 1039890587 /nfs/dbraw/zinc/89/05/87/1039890587.db2.gz OHJZHOQNRLHNBW-FQEVSTJZSA-N 2 0 300.490 3.742 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000594784381 1039907375 /nfs/dbraw/zinc/90/73/75/1039907375.db2.gz IAMPJSYXZZHEHS-UAPYVXQJSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@H]1CC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)C1 ZINC000606914516 1040035490 /nfs/dbraw/zinc/03/54/90/1040035490.db2.gz NBQLVOWTQMWJJX-HZPDHXFCSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccnc(Cl)c1 ZINC000158188798 1040117960 /nfs/dbraw/zinc/11/79/60/1040117960.db2.gz ZOMMSKSOFZKVPP-HNNXBMFYSA-N 2 0 309.885 3.898 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000227329445 1040198257 /nfs/dbraw/zinc/19/82/57/1040198257.db2.gz SOQAIUJGKKDNMS-UHFFFAOYSA-N 2 0 318.433 3.557 20 0 DHADRP OCCCCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000173644537 1040355433 /nfs/dbraw/zinc/35/54/33/1040355433.db2.gz NLURDQXJSMTXON-IBGZPJMESA-N 2 0 310.526 3.517 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000534347210 1040815569 /nfs/dbraw/zinc/81/55/69/1040815569.db2.gz AZAACRKHXAFDRR-CRAIPNDOSA-N 2 0 304.478 3.955 20 0 DHADRP Cc1cccnc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093257083 193220685 /nfs/dbraw/zinc/22/06/85/193220685.db2.gz BUFLPJHFJIYHFJ-UHFFFAOYSA-N 2 0 324.472 3.524 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C)ccc1OC ZINC000093397061 193242815 /nfs/dbraw/zinc/24/28/15/193242815.db2.gz ITEXAFWVUJTAAO-MAUKXSAKSA-N 2 0 302.462 3.529 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(Br)o1 ZINC000019914833 182164361 /nfs/dbraw/zinc/16/43/61/182164361.db2.gz PTIRKZHACYDLSN-LBPRGKRZSA-N 2 0 317.271 3.642 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCCSC2)C3)cc1 ZINC000272409331 130027760 /nfs/dbraw/zinc/02/77/60/130027760.db2.gz KXXOJEKKSSEGMJ-MKXGPGLRSA-N 2 0 316.514 3.667 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]CC3(C)CC[NH+](C)CC3)oc21 ZINC000272624455 130047222 /nfs/dbraw/zinc/04/72/22/130047222.db2.gz YYVWCFBNAVFBFK-AWEZNQCLSA-N 2 0 316.445 3.824 20 0 DHADRP CC(C)OCCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759501 130259458 /nfs/dbraw/zinc/25/94/58/130259458.db2.gz JUKHISSZTOSNAV-ICSRJNTNSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000284232906 131060935 /nfs/dbraw/zinc/06/09/35/131060935.db2.gz DMYXTFAEZXUKKW-HNNXBMFYSA-N 2 0 304.478 3.684 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)sc1Br ZINC000285620879 131186852 /nfs/dbraw/zinc/18/68/52/131186852.db2.gz ZJMKARFUBVINKM-NSHDSACASA-N 2 0 319.312 3.811 20 0 DHADRP Clc1ccc2c(ccn2CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000287532288 131284950 /nfs/dbraw/zinc/28/49/50/131284950.db2.gz PAAMKYPTSZEBDS-IRXDYDNUSA-N 2 0 317.864 3.511 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000292563066 131658787 /nfs/dbraw/zinc/65/87/87/131658787.db2.gz RTQYXCIWJQIJQR-ICSRJNTNSA-N 2 0 316.489 3.570 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@]1(C)CCCO1 ZINC000340475493 131847298 /nfs/dbraw/zinc/84/72/98/131847298.db2.gz RWSBTZQKBAQRPR-YLJYHZDGSA-N 2 0 316.489 3.720 20 0 DHADRP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000296038030 131936764 /nfs/dbraw/zinc/93/67/64/131936764.db2.gz NUBCSJQYIJLTPH-GLJUWKHASA-N 2 0 306.400 3.559 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000296567905 131971938 /nfs/dbraw/zinc/97/19/38/131971938.db2.gz VSXDFWUYHHHCBO-CYBMUJFWSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298242649 132052124 /nfs/dbraw/zinc/05/21/24/132052124.db2.gz CMJLTNYYMDPMKE-FQEVSTJZSA-N 2 0 307.441 3.636 20 0 DHADRP Cc1ccccc1C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298587603 132069470 /nfs/dbraw/zinc/06/94/70/132069470.db2.gz YFUNSSMZACSNGB-UHFFFAOYSA-N 2 0 321.468 3.680 20 0 DHADRP Cn1c2ccccc2nc1NCCCCC[NH+]1CCCCC1 ZINC000534242641 435272395 /nfs/dbraw/zinc/27/23/95/435272395.db2.gz UXQJGVPKXKUFJQ-UHFFFAOYSA-N 2 0 300.450 3.641 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccc(Cl)s2)CC[NH+](C)CC1 ZINC000580059857 332921004 /nfs/dbraw/zinc/92/10/04/332921004.db2.gz BNGFIRILXFAYDI-LLVKDONJSA-N 2 0 318.939 3.880 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000556891465 331749399 /nfs/dbraw/zinc/74/93/99/331749399.db2.gz ZBTNICAJAPNQDA-CQSZACIVSA-N 2 0 310.432 3.607 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000584184647 331859661 /nfs/dbraw/zinc/85/96/61/331859661.db2.gz XAUBSPWXQBGZLO-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP c1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093490655 331948057 /nfs/dbraw/zinc/94/80/57/331948057.db2.gz RKUUDFRMUZXFSM-FGTMMUONSA-N 2 0 304.503 3.679 20 0 DHADRP CC[C@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000569514061 332118210 /nfs/dbraw/zinc/11/82/10/332118210.db2.gz UWGRBZXTHXHHGL-MRXNPFEDSA-N 2 0 306.519 3.597 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nc(C)sc3c2)[C@H](C)C1 ZINC000426414338 332145120 /nfs/dbraw/zinc/14/51/20/332145120.db2.gz AVNPTFPHEIHWBD-CXAGYDPISA-N 2 0 317.502 3.767 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nc(C)sc3c2)[C@@H](C)C1 ZINC000426414377 332145183 /nfs/dbraw/zinc/14/51/83/332145183.db2.gz AVNPTFPHEIHWBD-GUYCJALGSA-N 2 0 317.502 3.767 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CCCC2)CC[N@@H+]1C ZINC000181341393 332192096 /nfs/dbraw/zinc/19/20/96/332192096.db2.gz CSYWFOGZLBCIPY-IEBWSBKVSA-N 2 0 300.490 3.862 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000448029046 332201656 /nfs/dbraw/zinc/20/16/56/332201656.db2.gz POMADZYFXRJOOQ-LJCCNALRSA-N 2 0 300.490 3.986 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399464 332256065 /nfs/dbraw/zinc/25/60/65/332256065.db2.gz FIQLZMNKAVINJQ-WMZOPIPTSA-N 2 0 322.880 3.668 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559399463 332256176 /nfs/dbraw/zinc/25/61/76/332256176.db2.gz FIQLZMNKAVINJQ-SJLPKXTDSA-N 2 0 322.880 3.668 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000531104901 332263882 /nfs/dbraw/zinc/26/38/82/332263882.db2.gz RAJUBJPURLMPNG-QAPCUYQASA-N 2 0 324.896 3.834 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCOCC1 ZINC000559616660 332274099 /nfs/dbraw/zinc/27/40/99/332274099.db2.gz KCECJSMLTNORNB-RBUKOAKNSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]([NH2+]CCC[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043513198 332278377 /nfs/dbraw/zinc/27/83/77/332278377.db2.gz RTKCHZGDWGXCSF-MRVPVSSYSA-N 2 0 314.273 3.724 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)[C@H](C)C1 ZINC000560265411 332326338 /nfs/dbraw/zinc/32/63/38/332326338.db2.gz MUZPXAASGAAKPS-UZLBHIALSA-N 2 0 316.489 3.828 20 0 DHADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000560522046 332350459 /nfs/dbraw/zinc/35/04/59/332350459.db2.gz RDWNPBQLEYWDRH-ZCNNSNEGSA-N 2 0 316.489 3.574 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000560531618 332353487 /nfs/dbraw/zinc/35/34/87/332353487.db2.gz XFTHJOUJDCULCG-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH3+])CCCCC1)CC3 ZINC000560944274 332396134 /nfs/dbraw/zinc/39/61/34/332396134.db2.gz CXTTUIUKJSPKSA-OAHLLOKOSA-N 2 0 311.473 3.585 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C)cn2)CC1)CC(C)C ZINC000560952325 332396819 /nfs/dbraw/zinc/39/68/19/332396819.db2.gz DDVZZJJZXJIHED-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@]1(C)CCCO1 ZINC000428455171 332428151 /nfs/dbraw/zinc/42/81/51/332428151.db2.gz SGBMEWSSQQQXRG-RGVPCPSESA-N 2 0 308.510 3.577 20 0 DHADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000562017548 332531952 /nfs/dbraw/zinc/53/19/52/332531952.db2.gz GSUUFIBMPJUHOE-GGPKGHCWSA-N 2 0 318.505 3.722 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000570061776 332707619 /nfs/dbraw/zinc/70/76/19/332707619.db2.gz DCRYDVICAYLPFZ-QAQDUYKDSA-N 2 0 309.457 3.603 20 0 DHADRP C[C@H]([NH3+])c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000178244767 333005519 /nfs/dbraw/zinc/00/55/19/333005519.db2.gz GTTGERYUYUAHIS-HNNXBMFYSA-N 2 0 323.440 3.554 20 0 DHADRP C[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000314531905 333139563 /nfs/dbraw/zinc/13/95/63/333139563.db2.gz BPQVUOZGAVFVPY-CQSZACIVSA-N 2 0 314.395 3.917 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000582114933 333287841 /nfs/dbraw/zinc/28/78/41/333287841.db2.gz OTUONFJGFLPZEF-GOSISDBHSA-N 2 0 324.896 3.739 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000390540675 333295136 /nfs/dbraw/zinc/29/51/36/333295136.db2.gz HFFMNEWPQSDLCK-NRFANRHFSA-N 2 0 308.469 3.902 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502687309 333304763 /nfs/dbraw/zinc/30/47/63/333304763.db2.gz QATFIOXOFIOYLX-ZSYWTGECSA-N 2 0 310.526 3.539 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382308 333347966 /nfs/dbraw/zinc/34/79/66/333347966.db2.gz SDRCQHPERKQPPH-SJLPKXTDSA-N 2 0 304.478 3.778 20 0 DHADRP CCN1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040503018 333353484 /nfs/dbraw/zinc/35/34/84/333353484.db2.gz ANYUOEBSCWVASO-GDBMZVCRSA-N 2 0 323.278 3.510 20 0 DHADRP CC(C)[N@H+](C)CCCNCc1cc(Cl)ccc1OC(F)F ZINC000221780510 333366302 /nfs/dbraw/zinc/36/63/02/333366302.db2.gz FTPBMSGFHMYDIQ-UHFFFAOYSA-N 2 0 320.811 3.761 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)c1 ZINC000488425093 333375816 /nfs/dbraw/zinc/37/58/16/333375816.db2.gz FGWLLDLBQAMXAX-ROUUACIJSA-N 2 0 306.519 3.758 20 0 DHADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000187029123 333384233 /nfs/dbraw/zinc/38/42/33/333384233.db2.gz KIFMQYPYLDAGND-HXUWFJFHSA-N 2 0 300.490 3.718 20 0 DHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228534800 333388912 /nfs/dbraw/zinc/38/89/12/333388912.db2.gz NIQHCPSBYOLGIR-WXYCVUISSA-N 2 0 323.278 3.569 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000563125465 333394827 /nfs/dbraw/zinc/39/48/27/333394827.db2.gz NVUNMBMQLWUPBP-IMFGXOCKSA-N 2 0 318.480 3.952 20 0 DHADRP c1nc(C2CCCCC2)sc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000563135833 333395872 /nfs/dbraw/zinc/39/58/72/333395872.db2.gz UZARJIXTPAGIMP-UHFFFAOYSA-N 2 0 319.518 3.766 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000271377168 334022179 /nfs/dbraw/zinc/02/21/79/334022179.db2.gz HULFSRYWDAOHJE-GOSISDBHSA-N 2 0 323.484 3.953 20 0 DHADRP CC[NH2+]CC1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000414653123 334055554 /nfs/dbraw/zinc/05/55/54/334055554.db2.gz AOVADUFENAMXHW-UXHICEINSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000414680699 334067729 /nfs/dbraw/zinc/06/77/29/334067729.db2.gz NRIRVQRYNMAOGQ-STQMWFEESA-N 2 0 300.368 3.525 20 0 DHADRP CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414720240 334073915 /nfs/dbraw/zinc/07/39/15/334073915.db2.gz XVOSVHAXOKPREJ-OAHLLOKOSA-N 2 0 318.358 3.809 20 0 DHADRP Cc1ncsc1C[N@H+](C[C@@H](C)CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000414721974 334074322 /nfs/dbraw/zinc/07/43/22/334074322.db2.gz DFUHBLILYBZFMZ-GOEBONIOSA-N 2 0 309.523 3.545 20 0 DHADRP CC(C)C[C@@H](C)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000414726724 334074522 /nfs/dbraw/zinc/07/45/22/334074522.db2.gz ZTDCKRSMIVHYQA-CVEARBPZSA-N 2 0 321.534 3.769 20 0 DHADRP Cc1ccc(C)c(OC2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414734151 334075551 /nfs/dbraw/zinc/07/55/51/334075551.db2.gz BINXDGUAPRBBCK-ZWKOTPCHSA-N 2 0 316.489 3.535 20 0 DHADRP Cc1ccc(C)c(OC2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414734146 334075642 /nfs/dbraw/zinc/07/56/42/334075642.db2.gz BINXDGUAPRBBCK-QZTJIDSGSA-N 2 0 316.489 3.535 20 0 DHADRP C[C@@H]1C[C@@H](C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC[NH2+]1 ZINC000414741712 334078562 /nfs/dbraw/zinc/07/85/62/334078562.db2.gz FOMOXNNXJFIFMO-ZBFHGGJFSA-N 2 0 314.395 3.829 20 0 DHADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1C(F)(F)F ZINC000414773240 334090637 /nfs/dbraw/zinc/09/06/37/334090637.db2.gz SIDHDVQSKTUZKY-UHFFFAOYSA-N 2 0 312.379 3.589 20 0 DHADRP c1ccc(OCCCCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778015 334092423 /nfs/dbraw/zinc/09/24/23/334092423.db2.gz IUWIYCIELDCZDQ-MOPGFXCFSA-N 2 0 316.489 3.557 20 0 DHADRP c1c2ccccc2sc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786278 334096253 /nfs/dbraw/zinc/09/62/53/334096253.db2.gz ULYDSPBKPGKILT-HOTGVXAUSA-N 2 0 300.471 3.723 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414793541 334098693 /nfs/dbraw/zinc/09/86/93/334098693.db2.gz DRMRMSGAYJMVLI-INWMFGNUSA-N 2 0 314.395 3.744 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801229 334101664 /nfs/dbraw/zinc/10/16/64/334101664.db2.gz IZYLBTXDFOPFTL-UONOGXRCSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414805992 334103470 /nfs/dbraw/zinc/10/34/70/334103470.db2.gz QARZKXRNWRSAOO-IVMMDQJWSA-N 2 0 314.395 3.916 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000414806573 334104378 /nfs/dbraw/zinc/10/43/78/334104378.db2.gz HSKUPWDNMOBFOW-LBPRGKRZSA-N 2 0 316.832 3.584 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414813564 334106070 /nfs/dbraw/zinc/10/60/70/334106070.db2.gz UADMZVURHUNMHC-OAHLLOKOSA-N 2 0 319.493 3.634 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414817715 334107188 /nfs/dbraw/zinc/10/71/88/334107188.db2.gz SVUYLJZUOSLLCS-HOTGVXAUSA-N 2 0 312.457 3.826 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414817713 334107334 /nfs/dbraw/zinc/10/73/34/334107334.db2.gz SVUYLJZUOSLLCS-CVEARBPZSA-N 2 0 312.457 3.826 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821086 334108550 /nfs/dbraw/zinc/10/85/50/334108550.db2.gz KPPRCDYTJVEHSE-GLQYFDAESA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821302 334108560 /nfs/dbraw/zinc/10/85/60/334108560.db2.gz AYBMBDFODMGZQB-AEZOWIDVSA-N 2 0 312.379 3.509 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414829428 334110384 /nfs/dbraw/zinc/11/03/84/334110384.db2.gz AUEKZVWOERTBJD-ZIAGYGMSSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414829425 334110474 /nfs/dbraw/zinc/11/04/74/334110474.db2.gz AUEKZVWOERTBJD-KBPBESRZSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414837269 334111559 /nfs/dbraw/zinc/11/15/59/334111559.db2.gz JJUHVVYDFDARPT-NSISKUIASA-N 2 0 321.553 3.527 20 0 DHADRP Clc1ccc(CCCC[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414840553 334112084 /nfs/dbraw/zinc/11/20/84/334112084.db2.gz XFLVLKOOIJKSES-CQSZACIVSA-N 2 0 315.288 3.905 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000129730348 334128253 /nfs/dbraw/zinc/12/82/53/334128253.db2.gz JRGRBHRGJYDKEF-QLFBSQMISA-N 2 0 306.416 3.818 20 0 DHADRP c1ccc2cc(C[NH2+]CCCNCc3cccnc3)ccc2c1 ZINC000414870621 334142413 /nfs/dbraw/zinc/14/24/13/334142413.db2.gz CMKCRIIGGSWJLU-UHFFFAOYSA-N 2 0 305.425 3.504 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414876309 334146628 /nfs/dbraw/zinc/14/66/28/334146628.db2.gz LDCPVTCQDABGCN-BYCMXARLSA-N 2 0 300.368 3.526 20 0 DHADRP CC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000414914756 334176224 /nfs/dbraw/zinc/17/62/24/334176224.db2.gz YCLBSPXKSCQJNI-SJORKVTESA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414920790 334181112 /nfs/dbraw/zinc/18/11/12/334181112.db2.gz ZGIGERYPAKOUTQ-UGFHNGPFSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414926157 334187962 /nfs/dbraw/zinc/18/79/62/334187962.db2.gz MQIGCHKCWXQXBC-WOPDTQHZSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414927884 334190237 /nfs/dbraw/zinc/19/02/37/334190237.db2.gz AIPGOBUGOVYSSO-CJNGLKHVSA-N 2 0 314.395 3.758 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2cccc(COCc3ccccc3)c2)CC1 ZINC000415083261 334272353 /nfs/dbraw/zinc/27/23/53/334272353.db2.gz POHTYZLERNKBOK-UHFFFAOYSA-N 2 0 324.468 3.763 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944352 334204171 /nfs/dbraw/zinc/20/41/71/334204171.db2.gz GURXLRHHMYJTQN-WOSRLPQWSA-N 2 0 314.395 3.757 20 0 DHADRP COc1ccccc1[C@H](N[C@@H](C)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000415083477 334272385 /nfs/dbraw/zinc/27/23/85/334272385.db2.gz FOWOCWZYDXZGOX-DJPFJPOOSA-N 2 0 324.468 3.905 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000187468847 334208848 /nfs/dbraw/zinc/20/88/48/334208848.db2.gz LSVVMIVIUDMGGW-ICSRJNTNSA-N 2 0 316.489 3.652 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)s2)cc1 ZINC000414959013 334211069 /nfs/dbraw/zinc/21/10/69/334211069.db2.gz WWHKZSLKTOYEPT-GDBMZVCRSA-N 2 0 300.471 3.954 20 0 DHADRP COc1ccc(C2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414965587 334213583 /nfs/dbraw/zinc/21/35/83/334213583.db2.gz NLVRVWRKNMKNGG-AVAKVYKDSA-N 2 0 316.489 3.843 20 0 DHADRP C[C@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414967983 334215179 /nfs/dbraw/zinc/21/51/79/334215179.db2.gz QUPKUEDAGFACST-CJNGLKHVSA-N 2 0 314.395 3.931 20 0 DHADRP C[C@@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414967982 334215303 /nfs/dbraw/zinc/21/53/03/334215303.db2.gz QUPKUEDAGFACST-BBRMVZONSA-N 2 0 314.395 3.931 20 0 DHADRP Cc1cc([C@@H](C)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)no1 ZINC000340532058 334230754 /nfs/dbraw/zinc/23/07/54/334230754.db2.gz JMXKXCGRKMUATG-VQIMIIECSA-N 2 0 324.428 3.888 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414996228 334235352 /nfs/dbraw/zinc/23/53/52/334235352.db2.gz GHKRTTXBSMXGCD-WFASDCNBSA-N 2 0 300.368 3.621 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414998600 334236690 /nfs/dbraw/zinc/23/66/90/334236690.db2.gz IHWRFUSZYNCPSH-XNRPHZJLSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006681 334248005 /nfs/dbraw/zinc/24/80/05/334248005.db2.gz KVIQBTJNKMXWEA-ZYSHUDEJSA-N 2 0 300.490 3.721 20 0 DHADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415087369 334275717 /nfs/dbraw/zinc/27/57/17/334275717.db2.gz SWJMBPRHVBUPKY-WOJBJXKFSA-N 2 0 312.432 3.760 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000415027490 334259844 /nfs/dbraw/zinc/25/98/44/334259844.db2.gz WOIDOSAIRFBHGK-HAQNSBGRSA-N 2 0 318.358 3.699 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000415027857 334260096 /nfs/dbraw/zinc/26/00/96/334260096.db2.gz BSSZMZXARHEJGO-RDJZCZTQSA-N 2 0 314.404 3.835 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415048781 334261392 /nfs/dbraw/zinc/26/13/92/334261392.db2.gz XILBQPUUIVTHRF-AEFFLSMTSA-N 2 0 310.441 3.579 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000415061604 334262300 /nfs/dbraw/zinc/26/23/00/334262300.db2.gz YUWWQUWOFNCDFD-GOSISDBHSA-N 2 0 321.424 3.510 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000415076457 334269160 /nfs/dbraw/zinc/26/91/60/334269160.db2.gz CJHMKBCWEVDGCA-OWSLCNJRSA-N 2 0 310.526 3.728 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415080135 334269987 /nfs/dbraw/zinc/26/99/87/334269987.db2.gz LCEIOUAUAGZJTO-BZUAXINKSA-N 2 0 322.518 3.544 20 0 DHADRP C[C@H]1C[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000415079061 334270533 /nfs/dbraw/zinc/27/05/33/334270533.db2.gz HKYBOIIPSWWJIS-ZWKOTPCHSA-N 2 0 308.469 3.796 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089730 334279603 /nfs/dbraw/zinc/27/96/03/334279603.db2.gz WQLIYMVHCJBSJO-LALPHHSUSA-N 2 0 318.358 3.797 20 0 DHADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415101834 334282502 /nfs/dbraw/zinc/28/25/02/334282502.db2.gz IIUYEFSDERAHFA-XJKCOSOUSA-N 2 0 314.395 3.929 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC000415124687 334283317 /nfs/dbraw/zinc/28/33/17/334283317.db2.gz RGFSUYFHTDGYLN-UHYCVJNDSA-N 2 0 312.432 3.969 20 0 DHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000415125601 334283398 /nfs/dbraw/zinc/28/33/98/334283398.db2.gz OMOINEQMMFCOII-PZJWPPBQSA-N 2 0 324.468 3.558 20 0 DHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000415117003 334283960 /nfs/dbraw/zinc/28/39/60/334283960.db2.gz YZUMMDJXLAVKCE-RTBURBONSA-N 2 0 308.510 3.565 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000442987968 338440911 /nfs/dbraw/zinc/44/09/11/338440911.db2.gz DQFNUGCXVDWGOD-ZDUSSCGKSA-N 2 0 314.395 3.835 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(C(F)(F)F)s1)C1CC1 ZINC000453594414 334286837 /nfs/dbraw/zinc/28/68/37/334286837.db2.gz INZQTIKUMBDRMV-UHFFFAOYSA-N 2 0 306.397 3.731 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)CC[N@@H+]1C ZINC000531939367 334298673 /nfs/dbraw/zinc/29/86/73/334298673.db2.gz KAFCZUBWFHKCEZ-PKOBYXMFSA-N 2 0 300.490 3.961 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000531945041 334300564 /nfs/dbraw/zinc/30/05/64/334300564.db2.gz GPJOZQJADRYDGZ-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950135 334304203 /nfs/dbraw/zinc/30/42/03/334304203.db2.gz XQTCXRBLAMGWJQ-CKEIUWERSA-N 2 0 308.897 3.936 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000534869768 334342389 /nfs/dbraw/zinc/34/23/89/334342389.db2.gz SGXLKOUXWHRFNU-LJQANCHMSA-N 2 0 320.546 3.974 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000531979613 334350688 /nfs/dbraw/zinc/35/06/88/334350688.db2.gz UCZADAXTEYGQJY-CABCVRRESA-N 2 0 318.427 3.819 20 0 DHADRP CCSCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000340937107 334394978 /nfs/dbraw/zinc/39/49/78/334394978.db2.gz ISDKHOCCNNZFJX-UHFFFAOYSA-N 2 0 306.519 3.584 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCCCC3)cc2)CC1 ZINC000341271538 334427539 /nfs/dbraw/zinc/42/75/39/334427539.db2.gz ODDQCRXFKAUAPH-UHFFFAOYSA-N 2 0 302.462 3.582 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417306340 334704527 /nfs/dbraw/zinc/70/45/27/334704527.db2.gz GAAPHUWKIGJDAX-BHYGNILZSA-N 2 0 306.519 3.952 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425944018 334787843 /nfs/dbraw/zinc/78/78/43/334787843.db2.gz UYLGNVCEAPSZHA-UONOGXRCSA-N 2 0 316.411 3.814 20 0 DHADRP CCCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000343945657 335207043 /nfs/dbraw/zinc/20/70/43/335207043.db2.gz MOIWGOMDKJNAKR-ICSRJNTNSA-N 2 0 317.521 3.534 20 0 DHADRP CCCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000343945652 335207167 /nfs/dbraw/zinc/20/71/67/335207167.db2.gz MOIWGOMDKJNAKR-AZUAARDMSA-N 2 0 317.521 3.534 20 0 DHADRP CCCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000343945666 335207177 /nfs/dbraw/zinc/20/71/77/335207177.db2.gz MOIWGOMDKJNAKR-UYAOXDASSA-N 2 0 317.521 3.534 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)CCC2 ZINC000344780494 335276834 /nfs/dbraw/zinc/27/68/34/335276834.db2.gz YKLJXUVTVMVBMC-OTWHNJEPSA-N 2 0 309.457 3.995 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000346185800 335379044 /nfs/dbraw/zinc/37/90/44/335379044.db2.gz SIRLJHLRYJZVMD-LPHOPBHVSA-N 2 0 310.445 3.730 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000346131375 335379305 /nfs/dbraw/zinc/37/93/05/335379305.db2.gz AZBPFCIWBRPYON-GOSISDBHSA-N 2 0 318.424 3.565 20 0 DHADRP C[C@H](C[NH2+]C(Cc1ccccc1)Cc1ccccc1)C[NH+](C)C ZINC000323972440 335742082 /nfs/dbraw/zinc/74/20/82/335742082.db2.gz HXHXKCQMZAALRT-GOSISDBHSA-N 2 0 310.485 3.628 20 0 DHADRP c1ccc(CSCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000192602848 336180216 /nfs/dbraw/zinc/18/02/16/336180216.db2.gz PMLNTLJZOOSJKU-IBGZPJMESA-N 2 0 318.530 3.728 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]CCC[N@H+](C)C(C)C ZINC000352091506 336194361 /nfs/dbraw/zinc/19/43/61/336194361.db2.gz KLRZWUNIBBLYAZ-LGMDPLHJSA-N 2 0 304.478 3.556 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532448515 336247908 /nfs/dbraw/zinc/24/79/08/336247908.db2.gz YYYPRWXMUPHEBL-CPUCHLNUSA-N 2 0 308.897 3.936 20 0 DHADRP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)cs1 ZINC000532471914 336249688 /nfs/dbraw/zinc/24/96/88/336249688.db2.gz OACNFUKNMPYWJN-GUYCJALGSA-N 2 0 315.486 3.691 20 0 DHADRP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)cs1 ZINC000532471912 336249756 /nfs/dbraw/zinc/24/97/56/336249756.db2.gz OACNFUKNMPYWJN-CXAGYDPISA-N 2 0 315.486 3.691 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C1 ZINC000526974752 336277077 /nfs/dbraw/zinc/27/70/77/336277077.db2.gz AQKJJUCJQHJZFD-HZPDHXFCSA-N 2 0 304.453 3.756 20 0 DHADRP Cc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)ncn1 ZINC000301225953 336295642 /nfs/dbraw/zinc/29/56/42/336295642.db2.gz DPFGHEBBQSUNIO-UHFFFAOYSA-N 2 0 310.445 3.773 20 0 DHADRP Cc1ccnc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000301664688 336321677 /nfs/dbraw/zinc/32/16/77/336321677.db2.gz VZMPWIMAHJRIFF-WMLDXEAASA-N 2 0 301.459 3.947 20 0 DHADRP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000302825638 336370861 /nfs/dbraw/zinc/37/08/61/336370861.db2.gz MMIBGMHKUAPLIN-IRXDYDNUSA-N 2 0 303.356 3.526 20 0 DHADRP CC(C)c1nc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(C)(C)C)n1 ZINC000302897044 336373635 /nfs/dbraw/zinc/37/36/35/336373635.db2.gz PFWWPFQOKFWBEJ-LSDHHAIUSA-N 2 0 318.509 3.816 20 0 DHADRP CC(C)c1nc(N(C)C[C@@H]2CCC[N@H+](C)C2)cc(C(C)(C)C)n1 ZINC000302905543 336374039 /nfs/dbraw/zinc/37/40/39/336374039.db2.gz SMNWFUKUDUGTNT-OAHLLOKOSA-N 2 0 318.509 3.676 20 0 DHADRP Cc1cccc(CCC[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC000352920813 336377142 /nfs/dbraw/zinc/37/71/42/336377142.db2.gz ATYDJSUPYMEJED-WIYYLYMNSA-N 2 0 323.484 3.748 20 0 DHADRP CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034995848 336389693 /nfs/dbraw/zinc/38/96/93/336389693.db2.gz CUUSJVTWZJOLPF-INIZCTEOSA-N 2 0 300.471 3.989 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320952968 336390179 /nfs/dbraw/zinc/39/01/79/336390179.db2.gz NMLYXUXNASWFJE-AEGPPILISA-N 2 0 312.379 3.698 20 0 DHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000353650115 336431664 /nfs/dbraw/zinc/43/16/64/336431664.db2.gz QMOPTHNJNIBONO-QGZVFWFLSA-N 2 0 306.519 3.863 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000354045533 336456257 /nfs/dbraw/zinc/45/62/57/336456257.db2.gz VLHMGFMCRMLMLC-FLIBITNWSA-N 2 0 316.489 3.523 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCCO2 ZINC000356862428 336563679 /nfs/dbraw/zinc/56/36/79/336563679.db2.gz ZSICQRVJRLQZNK-GOSISDBHSA-N 2 0 316.489 3.839 20 0 DHADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000356862399 336563754 /nfs/dbraw/zinc/56/37/54/336563754.db2.gz ZRBOMPCDMSMLQL-QGZVFWFLSA-N 2 0 304.478 3.776 20 0 DHADRP c1ccc(-c2cccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c2)nc1 ZINC000357040693 336571588 /nfs/dbraw/zinc/57/15/88/336571588.db2.gz CAWZRXJNQFCYKI-HXUWFJFHSA-N 2 0 321.468 3.570 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000368520354 336846643 /nfs/dbraw/zinc/84/66/43/336846643.db2.gz UKSTYLNGRLEMQB-IBGZPJMESA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)N1CCc2nc(C[N@H+]([C@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951223 337000186 /nfs/dbraw/zinc/00/01/86/337000186.db2.gz VJPFQAFQJJQFBL-CYBMUJFWSA-N 2 0 319.518 3.673 20 0 DHADRP Cc1ccc([C@H](C)NCc2nc3c(s2)C[N@H+](C(C)C)CC3)o1 ZINC000376615877 337038220 /nfs/dbraw/zinc/03/82/20/337038220.db2.gz TZFYZMNNWLDDLB-ZDUSSCGKSA-N 2 0 319.474 3.662 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000582453238 337054281 /nfs/dbraw/zinc/05/42/81/337054281.db2.gz ADKMOMDKMROZOG-AWEZNQCLSA-N 2 0 310.844 3.643 20 0 DHADRP Cc1cc(F)ccc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692486 337058537 /nfs/dbraw/zinc/05/85/37/337058537.db2.gz IUQVANFBNRTCSM-UHFFFAOYSA-N 2 0 313.420 3.630 20 0 DHADRP C[N@H+](Cc1ccc2occc2c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377702910 337059015 /nfs/dbraw/zinc/05/90/15/337059015.db2.gz PMEZXEJXQAFXFR-UHFFFAOYSA-N 2 0 321.424 3.929 20 0 DHADRP Cc1ccncc1CCC[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000377869580 337063029 /nfs/dbraw/zinc/06/30/29/337063029.db2.gz PRWBGIFSVDABAP-KRWDZBQOSA-N 2 0 320.440 3.859 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3csc(C(C)(C)C)n3)C2)CC1 ZINC000377887593 337063374 /nfs/dbraw/zinc/06/33/74/337063374.db2.gz FYPFZFXLGWANSD-HNNXBMFYSA-N 2 0 321.534 3.604 20 0 DHADRP Cc1ccsc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178036867 337159998 /nfs/dbraw/zinc/15/99/98/337159998.db2.gz NWZPCMBSFAYVDN-OAGGEKHMSA-N 2 0 310.507 3.597 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000181517900 337182690 /nfs/dbraw/zinc/18/26/90/337182690.db2.gz YGWIPRCGXGDBPH-CJNGLKHVSA-N 2 0 309.523 3.779 20 0 DHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC[NH+]1CCCC1 ZINC000181955269 337185445 /nfs/dbraw/zinc/18/54/45/337185445.db2.gz JGTOMDVSKWSNBK-KRWDZBQOSA-N 2 0 306.425 3.505 20 0 DHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000469853694 337195395 /nfs/dbraw/zinc/19/53/95/337195395.db2.gz KONVNAJXMVCMBZ-STQMWFEESA-N 2 0 304.434 3.723 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000583136649 337243497 /nfs/dbraw/zinc/24/34/97/337243497.db2.gz IXLSLTCLQPCJKV-DYVFJYSZSA-N 2 0 312.860 3.684 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000583170610 337250948 /nfs/dbraw/zinc/25/09/48/337250948.db2.gz FONCQUWJUPCEOS-SZVBFZGTSA-N 2 0 304.453 3.563 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000583197089 337265246 /nfs/dbraw/zinc/26/52/46/337265246.db2.gz SSAHCNVQBJAPMF-AWEZNQCLSA-N 2 0 322.518 3.800 20 0 DHADRP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000321752317 337288492 /nfs/dbraw/zinc/28/84/92/337288492.db2.gz VVGAMXYXCUQXRU-MRXNPFEDSA-N 2 0 318.505 3.875 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1F ZINC000398005946 337303559 /nfs/dbraw/zinc/30/35/59/337303559.db2.gz GWMZGKJMBSAUBY-OXJNMPFZSA-N 2 0 312.432 3.826 20 0 DHADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584665184 337379781 /nfs/dbraw/zinc/37/97/81/337379781.db2.gz CLSBDPXMWJMFFE-LSTDLKDCSA-N 2 0 302.462 3.545 20 0 DHADRP COC1(C[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCC1 ZINC000429356062 337431085 /nfs/dbraw/zinc/43/10/85/337431085.db2.gz ROMXENFUHDFNFR-QGZVFWFLSA-N 2 0 316.489 3.720 20 0 DHADRP Clc1ccccc1OC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420358047 337499714 /nfs/dbraw/zinc/49/97/14/337499714.db2.gz IWXPDLUPUFAWAI-UHFFFAOYSA-N 2 0 322.880 3.573 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCO1 ZINC000421385149 337529730 /nfs/dbraw/zinc/52/97/30/337529730.db2.gz NHMUNMYCKNBQKP-JCHJZTRSSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000247934389 337561722 /nfs/dbraw/zinc/56/17/22/337561722.db2.gz CIMQDZYADWKEJF-BWPNAZKDSA-N 2 0 322.537 3.538 20 0 DHADRP C[C@]1(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000262018952 337614359 /nfs/dbraw/zinc/61/43/59/337614359.db2.gz MYXMEGLLMHTRNO-INIZCTEOSA-N 2 0 310.844 3.600 20 0 DHADRP COc1ccc([C@H]([NH2+]CCC2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421827708 337646924 /nfs/dbraw/zinc/64/69/24/337646924.db2.gz ZCVVRVGQVFINCN-LJQANCHMSA-N 2 0 322.468 3.853 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCCC1 ZINC000421821447 337649000 /nfs/dbraw/zinc/64/90/00/337649000.db2.gz RLKHWIVRSAOGJG-KRWDZBQOSA-N 2 0 316.489 3.720 20 0 DHADRP c1cnc2c(c1)CC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000421836723 337652445 /nfs/dbraw/zinc/65/24/45/337652445.db2.gz RLILSFFHGCGVCZ-IBGZPJMESA-N 2 0 315.505 3.575 20 0 DHADRP CCC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000421875878 337657895 /nfs/dbraw/zinc/65/78/95/337657895.db2.gz KGAPSAKBMMTXMN-TVPLGVNVSA-N 2 0 304.478 3.999 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724517 337684080 /nfs/dbraw/zinc/68/40/80/337684080.db2.gz VWSUUVNUDKXBPG-HOCLYGCPSA-N 2 0 314.395 3.745 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000422751861 337685054 /nfs/dbraw/zinc/68/50/54/337685054.db2.gz AIYOPGQXQJDFOV-ROUUACIJSA-N 2 0 317.521 3.757 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CCSCc1cccc2ccccc21 ZINC000422770848 337685867 /nfs/dbraw/zinc/68/58/67/337685867.db2.gz WVUDBESLCPLYBI-HNNXBMFYSA-N 2 0 302.487 3.790 20 0 DHADRP [NH3+][C@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422780422 337686130 /nfs/dbraw/zinc/68/61/30/337686130.db2.gz HDCAHJVXWRASGT-SFTDATJTSA-N 2 0 321.468 3.517 20 0 DHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422785322 337686625 /nfs/dbraw/zinc/68/66/25/337686625.db2.gz QVDPVKVGJOVGBX-HUUCEWRRSA-N 2 0 310.441 3.621 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1CCCCC1 ZINC000422800752 337687097 /nfs/dbraw/zinc/68/70/97/337687097.db2.gz AFPVSMKENAUCLZ-AZUAARDMSA-N 2 0 314.473 3.802 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000422797954 337687102 /nfs/dbraw/zinc/68/71/02/337687102.db2.gz PFLFLDPFOMTCST-SJKOYZFVSA-N 2 0 301.459 3.712 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000422801701 337687278 /nfs/dbraw/zinc/68/72/78/337687278.db2.gz AEVZKHDIEGHWTE-MGPUTAFESA-N 2 0 311.473 3.939 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422811670 337687708 /nfs/dbraw/zinc/68/77/08/337687708.db2.gz VBIUAZIFLOGVAS-NMLBUPMWSA-N 2 0 316.489 3.570 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)s1 ZINC000422808211 337687765 /nfs/dbraw/zinc/68/77/65/337687765.db2.gz NVHFTVPOFPMKMI-YPMHNXCESA-N 2 0 303.475 3.939 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422816954 337688081 /nfs/dbraw/zinc/68/80/81/337688081.db2.gz BTHSPBNNMULWAI-SWLSCSKDSA-N 2 0 301.261 3.643 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422825050 337688214 /nfs/dbraw/zinc/68/82/14/337688214.db2.gz PBDVVWWYYASXNT-CHWSQXEVSA-N 2 0 304.459 3.639 20 0 DHADRP Cc1cccc(COc2ccc(C[NH2+][C@H](C)CCC[NH3+])cc2)c1 ZINC000422841213 337688671 /nfs/dbraw/zinc/68/86/71/337688671.db2.gz CQBAECXWYGXZRC-QGZVFWFLSA-N 2 0 312.457 3.791 20 0 DHADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422891309 337690197 /nfs/dbraw/zinc/69/01/97/337690197.db2.gz VCVWJNCUXYBKEM-IPMKNSEASA-N 2 0 322.537 3.874 20 0 DHADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422891307 337690259 /nfs/dbraw/zinc/69/02/59/337690259.db2.gz VCVWJNCUXYBKEM-GBESFXJTSA-N 2 0 322.537 3.874 20 0 DHADRP COc1cccc(C2(C[NH2+][C@H](C)CCCC[NH3+])CCCC2)c1 ZINC000422892032 337690460 /nfs/dbraw/zinc/69/04/60/337690460.db2.gz XJXRQMTZOYUBOJ-MRXNPFEDSA-N 2 0 304.478 3.614 20 0 DHADRP c1ccc(SC2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422909699 337690868 /nfs/dbraw/zinc/69/08/68/337690868.db2.gz OTQXKNMFYVWNBA-FGTMMUONSA-N 2 0 316.514 3.822 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000422918879 337691429 /nfs/dbraw/zinc/69/14/29/337691429.db2.gz IPXBJLCWCMEOBG-WMZOPIPTSA-N 2 0 308.510 3.626 20 0 DHADRP Clc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422943818 337692844 /nfs/dbraw/zinc/69/28/44/337692844.db2.gz LAHHMCQGXNTRBS-KSZLIROESA-N 2 0 306.881 3.783 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000422946236 337693137 /nfs/dbraw/zinc/69/31/37/337693137.db2.gz OLBRWNCBMRLUGU-UHFFFAOYSA-N 2 0 302.462 3.615 20 0 DHADRP COc1ccccc1Oc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422903250 337693292 /nfs/dbraw/zinc/69/32/92/337693292.db2.gz FGKBAIFOIRAYGL-HUUCEWRRSA-N 2 0 314.429 3.703 20 0 DHADRP Cc1cccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])c2)c1 ZINC000422903945 337693344 /nfs/dbraw/zinc/69/33/44/337693344.db2.gz GCTRBTBTRGMJPP-ZLGUVYLKSA-N 2 0 324.468 3.504 20 0 DHADRP C(=C\c1ccccc1)\C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983551 337693694 /nfs/dbraw/zinc/69/36/94/337693694.db2.gz ZXKUKINPGWHDFY-HYHBTBHYSA-N 2 0 320.436 3.545 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000423000454 337694181 /nfs/dbraw/zinc/69/41/81/337694181.db2.gz ZGQABPQXANXDKX-GTAWCEEGSA-N 2 0 316.489 3.665 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949564 337694372 /nfs/dbraw/zinc/69/43/72/337694372.db2.gz UICNOZPGSDDEMI-FJWIDWSQSA-N 2 0 320.480 3.999 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422957293 337694895 /nfs/dbraw/zinc/69/48/95/337694895.db2.gz NCUYXMXCFSITKY-RYUDHWBXSA-N 2 0 300.368 3.800 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423034451 337696510 /nfs/dbraw/zinc/69/65/10/337696510.db2.gz QCQJJJODQMVQAY-YJBOKZPZSA-N 2 0 307.441 3.512 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000423045025 337697056 /nfs/dbraw/zinc/69/70/56/337697056.db2.gz RYLBKAUHUNSYPT-OBZTUIKSSA-N 2 0 318.505 3.518 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423056223 337697502 /nfs/dbraw/zinc/69/75/02/337697502.db2.gz XRQFAXWVVDAORL-GTAWCEEGSA-N 2 0 316.489 3.807 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1-c1ccccc1 ZINC000423066786 337698168 /nfs/dbraw/zinc/69/81/68/337698168.db2.gz XWGBNBGYKUMDOQ-ZLGUVYLKSA-N 2 0 324.468 3.504 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000423074357 337698301 /nfs/dbraw/zinc/69/83/01/337698301.db2.gz LITGTJRARWVUEU-GHMZBOCLSA-N 2 0 303.372 3.620 20 0 DHADRP COCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423107937 337699682 /nfs/dbraw/zinc/69/96/82/337699682.db2.gz QIROKCIKLLHBRV-RWSFTLGLSA-N 2 0 319.276 3.786 20 0 DHADRP COCC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423113778 337700309 /nfs/dbraw/zinc/70/03/09/337700309.db2.gz ZBDFNXUDZYBVDI-NHYWBVRUSA-N 2 0 319.276 3.788 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423123065 337700479 /nfs/dbraw/zinc/70/04/79/337700479.db2.gz LXQACRKBBNHFAZ-GZNCHQMQSA-N 2 0 324.468 3.839 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423140136 337701326 /nfs/dbraw/zinc/70/13/26/337701326.db2.gz XLUBMWHSSGOXAM-JYJNAYRXSA-N 2 0 314.395 3.830 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000423164224 337702136 /nfs/dbraw/zinc/70/21/36/337702136.db2.gz SLEVICPLXUDPTO-BJLQDIEVSA-N 2 0 314.473 3.801 20 0 DHADRP [NH3+]CC1CCC([NH2+]C/C=C/c2ccc(Br)cc2)CC1 ZINC000423163991 337702162 /nfs/dbraw/zinc/70/21/62/337702162.db2.gz WISIWZBCRNLNNI-OWOJBTEDSA-N 2 0 323.278 3.569 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423164633 337702170 /nfs/dbraw/zinc/70/21/70/337702170.db2.gz XGZIMLBYIBROBU-RYWCDNDXSA-N 2 0 311.267 3.569 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423212388 337704406 /nfs/dbraw/zinc/70/44/06/337704406.db2.gz LRMJTPZDNYWTQT-CRAIPNDOSA-N 2 0 302.462 3.613 20 0 DHADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423210921 337704437 /nfs/dbraw/zinc/70/44/37/337704437.db2.gz GRXSZQQSQBFSTN-WVXLVCGESA-N 2 0 316.489 3.822 20 0 DHADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423210918 337704504 /nfs/dbraw/zinc/70/45/04/337704504.db2.gz GRXSZQQSQBFSTN-IAXWKHNDSA-N 2 0 316.489 3.822 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000423213342 337704563 /nfs/dbraw/zinc/70/45/63/337704563.db2.gz JULOQHKPECEDEE-ZBCRRDGASA-N 2 0 308.853 3.722 20 0 DHADRP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423215807 337704823 /nfs/dbraw/zinc/70/48/23/337704823.db2.gz OXFXRPWDOGTPMU-VILUFWDLSA-N 2 0 311.256 3.853 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220645 337705227 /nfs/dbraw/zinc/70/52/27/337705227.db2.gz YPWRRCOZDJUBJJ-QAPCUYQASA-N 2 0 302.462 3.613 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423222488 337705663 /nfs/dbraw/zinc/70/56/63/337705663.db2.gz BGRUBAQBVIBCTF-QWHCGFSZSA-N 2 0 303.475 3.815 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1csc(-c2ccccc2)n1 ZINC000423238500 337706461 /nfs/dbraw/zinc/70/64/61/337706461.db2.gz VGEUYYFKTJYGQM-GRTSSRMGSA-N 2 0 301.459 3.731 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423251219 337707408 /nfs/dbraw/zinc/70/74/08/337707408.db2.gz RPWACMNDLTUALQ-ZFWWWQNUSA-N 2 0 314.395 3.616 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423254988 337707756 /nfs/dbraw/zinc/70/77/56/337707756.db2.gz AHCYMXHRXQTVQH-KGLIPLIRSA-N 2 0 310.869 3.779 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000423263613 337707978 /nfs/dbraw/zinc/70/79/78/337707978.db2.gz BEMZEISXKCRWQH-AXFHLTTASA-N 2 0 317.296 3.679 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423282390 337709404 /nfs/dbraw/zinc/70/94/04/337709404.db2.gz WMRJBLWKTAYWSY-NEPJUHHUSA-N 2 0 321.465 3.764 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291926 337710107 /nfs/dbraw/zinc/71/01/07/337710107.db2.gz KOUJAOJXXRJZPJ-MXKXFIQMSA-N 2 0 324.468 3.997 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423318513 337711840 /nfs/dbraw/zinc/71/18/40/337711840.db2.gz BVXWWGGXXAABRQ-CQSZACIVSA-N 2 0 301.459 3.516 20 0 DHADRP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423330434 337712260 /nfs/dbraw/zinc/71/22/60/337712260.db2.gz NTBMNYNJELBDAK-DOTOQJQBSA-N 2 0 312.404 3.718 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000423356946 337713965 /nfs/dbraw/zinc/71/39/65/337713965.db2.gz HQEOSHPOOHVVEY-RYRKJORJSA-N 2 0 320.452 3.592 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423359128 337714140 /nfs/dbraw/zinc/71/41/40/337714140.db2.gz KISACGCDPPYKKK-HZPDHXFCSA-N 2 0 312.379 3.888 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC[NH2+]1 ZINC000423373585 337715303 /nfs/dbraw/zinc/71/53/03/337715303.db2.gz HKMWAXZVNOAXMU-ZTNFWEORSA-N 2 0 312.432 3.840 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423398897 337715619 /nfs/dbraw/zinc/71/56/19/337715619.db2.gz UIWGDUVDJUZRDI-ZDUSSCGKSA-N 2 0 300.833 3.664 20 0 DHADRP CCCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000423408029 337716207 /nfs/dbraw/zinc/71/62/07/337716207.db2.gz NXXMWJJGPVCGCT-GOSISDBHSA-N 2 0 304.478 3.524 20 0 DHADRP COCC1(C[NH2+][C@H](C)c2cc3ccccc3s2)CC[NH2+]CC1 ZINC000423409448 337716221 /nfs/dbraw/zinc/71/62/21/337716221.db2.gz QDEGAGXSXMVQSV-CQSZACIVSA-N 2 0 318.486 3.568 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000423426968 337717067 /nfs/dbraw/zinc/71/70/67/337717067.db2.gz PZVNHOIQIVBJRG-CGBFIWBNSA-N 2 0 316.489 3.509 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423384347 337717783 /nfs/dbraw/zinc/71/77/83/337717783.db2.gz KYOSAYFRGWIEDA-LSDHHAIUSA-N 2 0 310.441 3.580 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423384345 337717794 /nfs/dbraw/zinc/71/77/94/337717794.db2.gz KYOSAYFRGWIEDA-GJZGRUSLSA-N 2 0 310.441 3.580 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000423394348 337718604 /nfs/dbraw/zinc/71/86/04/337718604.db2.gz RHWSDQWIEJACEX-SRVKXCTJSA-N 2 0 302.340 3.506 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@H](C)CCCC[NH3+])CCCO2 ZINC000423432697 337718852 /nfs/dbraw/zinc/71/88/52/337718852.db2.gz MREQAUNVGNQJBU-CJNGLKHVSA-N 2 0 310.869 3.969 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])sc1Br ZINC000423443985 337719459 /nfs/dbraw/zinc/71/94/59/337719459.db2.gz WCKMUIWAKOLPSX-QWRGUYRKSA-N 2 0 319.312 3.987 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])sc1Br ZINC000423443973 337719545 /nfs/dbraw/zinc/71/95/45/337719545.db2.gz WCKMUIWAKOLPSX-GHMZBOCLSA-N 2 0 319.312 3.987 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423443787 337719554 /nfs/dbraw/zinc/71/95/54/337719554.db2.gz AQGZXMMQOCWIGP-KDOFPFPSSA-N 2 0 317.864 3.736 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000423457920 337720509 /nfs/dbraw/zinc/72/05/09/337720509.db2.gz JCWWXDARVQVJBE-DCAQKATOSA-N 2 0 317.296 3.679 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423460411 337720543 /nfs/dbraw/zinc/72/05/43/337720543.db2.gz BBYRWQLEHYQZAB-SOLBZPMBSA-N 2 0 302.462 3.624 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1SC ZINC000423470558 337721163 /nfs/dbraw/zinc/72/11/63/337721163.db2.gz WNYCNEBGOULAPL-GZBFAFLISA-N 2 0 308.491 3.585 20 0 DHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423475896 337721527 /nfs/dbraw/zinc/72/15/27/337721527.db2.gz IFKUNJBVQBARBH-GOEBONIOSA-N 2 0 323.278 3.558 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCS2 ZINC000423478731 337721857 /nfs/dbraw/zinc/72/18/57/337721857.db2.gz LFBNWRWLBUYURE-RDJZCZTQSA-N 2 0 304.503 3.962 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423479867 337721888 /nfs/dbraw/zinc/72/18/88/337721888.db2.gz VIVUQXYNXPAYST-YDHLFZDLSA-N 2 0 310.869 3.907 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423482591 337722055 /nfs/dbraw/zinc/72/20/55/337722055.db2.gz YELUDBVFHAGIFY-SQWLQELKSA-N 2 0 315.486 3.978 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000423489647 337722483 /nfs/dbraw/zinc/72/24/83/337722483.db2.gz WQCCWQTXVKXAKO-OXJNMPFZSA-N 2 0 309.457 3.931 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423490939 337722600 /nfs/dbraw/zinc/72/26/00/337722600.db2.gz YEGHRMATEBFFHU-WMZOPIPTSA-N 2 0 302.462 3.639 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000423491852 337722620 /nfs/dbraw/zinc/72/26/20/337722620.db2.gz KQZJFJVYIDZXNP-ZLDLUXBVSA-N 2 0 310.894 3.984 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423497311 337722917 /nfs/dbraw/zinc/72/29/17/337722917.db2.gz YRRXJKGLBMOXDN-IEZWGBDMSA-N 2 0 304.478 3.890 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1nc2ccccc2n1C ZINC000423497272 337722982 /nfs/dbraw/zinc/72/29/82/337722982.db2.gz GIHAQSHBVFGHJN-DOTOQJQBSA-N 2 0 322.456 3.704 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423499838 337723415 /nfs/dbraw/zinc/72/34/15/337723415.db2.gz BFLQFFZAQKYHGI-FXAWDEMLSA-N 2 0 311.473 3.863 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423539253 337725078 /nfs/dbraw/zinc/72/50/78/337725078.db2.gz IAGAVRMKASXDPQ-LIEJCIORSA-N 2 0 318.892 3.954 20 0 DHADRP CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423539061 337725102 /nfs/dbraw/zinc/72/51/02/337725102.db2.gz HQWDLXSRAIJANQ-XLJRRBFBSA-N 2 0 312.501 3.865 20 0 DHADRP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423545820 337725281 /nfs/dbraw/zinc/72/52/81/337725281.db2.gz PKVFFJSZHLVCPW-VNTMZGSJSA-N 2 0 300.490 3.766 20 0 DHADRP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423545811 337725322 /nfs/dbraw/zinc/72/53/22/337725322.db2.gz PKVFFJSZHLVCPW-IYWMVGAKSA-N 2 0 300.490 3.766 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423547296 337725418 /nfs/dbraw/zinc/72/54/18/337725418.db2.gz PRTWEOLYXXWCPR-ZOBORPQBSA-N 2 0 312.910 3.700 20 0 DHADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000423554524 337725476 /nfs/dbraw/zinc/72/54/76/337725476.db2.gz WRSHXNIPHZJWCI-CBPXPLCBSA-N 2 0 320.480 3.948 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000423552440 337725492 /nfs/dbraw/zinc/72/54/92/337725492.db2.gz UXMDXOKHFZKGCD-KOUHRCEDSA-N 2 0 324.443 3.893 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527717758 337758591 /nfs/dbraw/zinc/75/85/91/337758591.db2.gz BTFAXGRNACKCJS-UHFFFAOYSA-N 2 0 306.397 3.729 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)[NH+]1CCCC1 ZINC000424269679 337813767 /nfs/dbraw/zinc/81/37/67/337813767.db2.gz PNEXKZFOCHKGKO-UTBUEMAESA-N 2 0 322.537 3.680 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CCCC[NH+](C)C)C1CCCC1 ZINC000536999258 337862757 /nfs/dbraw/zinc/86/27/57/337862757.db2.gz FKDDDWWRURSUMM-LJQANCHMSA-N 2 0 304.478 3.858 20 0 DHADRP OCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000120431663 337875215 /nfs/dbraw/zinc/87/52/15/337875215.db2.gz AJBACBDVGLVBHP-FQEVSTJZSA-N 2 0 322.537 3.704 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000121197944 337887927 /nfs/dbraw/zinc/88/79/27/337887927.db2.gz QOOKVNAUCMRZRL-MRXNPFEDSA-N 2 0 304.478 3.714 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000516117413 338005749 /nfs/dbraw/zinc/00/57/49/338005749.db2.gz CSMUYCVVGLWRQE-UXHICEINSA-N 2 0 300.490 3.769 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C[NH+](C)C ZINC000425939178 338019161 /nfs/dbraw/zinc/01/91/61/338019161.db2.gz SEOCWIYMNZXRHH-MROQNXINSA-N 2 0 300.899 3.681 20 0 DHADRP Cc1nc2ccc(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2s1 ZINC000426407743 338030901 /nfs/dbraw/zinc/03/09/01/338030901.db2.gz WJDDEGUVCZYMKD-UHFFFAOYSA-N 2 0 317.502 3.768 20 0 DHADRP Cc1nc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2s1 ZINC000426411669 338031088 /nfs/dbraw/zinc/03/10/88/338031088.db2.gz MWFPTIUWNLQSHX-NVXWUHKLSA-N 2 0 315.486 3.521 20 0 DHADRP Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000428270828 338045059 /nfs/dbraw/zinc/04/50/59/338045059.db2.gz WFEYTMLXEHAHRM-IEBWSBKVSA-N 2 0 315.505 3.565 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC(C)C)c2ccccc2)[C@H](C)C1 ZINC000428406268 338050393 /nfs/dbraw/zinc/05/03/93/338050393.db2.gz VPBRSVVJDAJTGZ-HOJAQTOUSA-N 2 0 318.505 3.815 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428850915 338062097 /nfs/dbraw/zinc/06/20/97/338062097.db2.gz OOYFUZWRFUNRPI-UHFFFAOYSA-N 2 0 321.465 3.645 20 0 DHADRP c1ccc(OC2CCCC2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430932367 338119077 /nfs/dbraw/zinc/11/90/77/338119077.db2.gz FZUDBIOUSMKUCT-UHFFFAOYSA-N 2 0 314.473 3.584 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000430943409 338119289 /nfs/dbraw/zinc/11/92/89/338119289.db2.gz HZMMXHFATROYQK-MRXNPFEDSA-N 2 0 312.457 3.668 20 0 DHADRP CCC[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432360302 338154066 /nfs/dbraw/zinc/15/40/66/338154066.db2.gz VRXYFHSPIAHODX-QUCCMNQESA-N 2 0 318.505 3.661 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432740687 338165421 /nfs/dbraw/zinc/16/54/21/338165421.db2.gz BVXSHENNEKWWKE-UHFFFAOYSA-N 2 0 306.397 3.541 20 0 DHADRP Cc1ccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435371566 338238204 /nfs/dbraw/zinc/23/82/04/338238204.db2.gz NNHIFVHNDMPKIC-HXUWFJFHSA-N 2 0 309.457 3.534 20 0 DHADRP CC[N@H+](Cc1ccc(Cl)c2cccnc12)[C@@H]1CCC[NH2+]CC1 ZINC000435625040 338243807 /nfs/dbraw/zinc/24/38/07/338243807.db2.gz GZHXEFHXZINSGH-OAHLLOKOSA-N 2 0 317.864 3.852 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436417319 338271986 /nfs/dbraw/zinc/27/19/86/338271986.db2.gz UHOYBFICWSYHKB-UHFFFAOYSA-N 2 0 318.770 3.710 20 0 DHADRP CC(C)(C)C1CC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000436471455 338273411 /nfs/dbraw/zinc/27/34/11/338273411.db2.gz SMDWMYHLRXUXBR-UHFFFAOYSA-N 2 0 301.478 3.712 20 0 DHADRP C[NH+](C)CC1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000437582231 338314485 /nfs/dbraw/zinc/31/44/85/338314485.db2.gz NAHYIOFGKSWQRA-WOJBJXKFSA-N 2 0 300.490 3.770 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]CCCCOc2ccccc2)CC1 ZINC000438185785 338335610 /nfs/dbraw/zinc/33/56/10/338335610.db2.gz DGAIZJWAKGNQOF-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CC(F)(F)C2)C1 ZINC000450407690 338384647 /nfs/dbraw/zinc/38/46/47/338384647.db2.gz ULWYLSCTUORSDX-LSDHHAIUSA-N 2 0 300.437 3.618 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1OC ZINC000447569121 338557570 /nfs/dbraw/zinc/55/75/70/338557570.db2.gz OCWWAZKLXVDTGY-SFHVURJKSA-N 2 0 302.462 3.610 20 0 DHADRP Cc1cccc(C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000447568341 338557574 /nfs/dbraw/zinc/55/75/74/338557574.db2.gz JDTQHVNXJGXGDE-OAQYLSRUSA-N 2 0 312.501 3.780 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447576090 338558201 /nfs/dbraw/zinc/55/82/01/338558201.db2.gz ALHWMLYDLMGIQW-XOBRGWDASA-N 2 0 316.464 3.913 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449011799 338582842 /nfs/dbraw/zinc/58/28/42/338582842.db2.gz UWVYIBHHAAASSG-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc3cccnc3o2)cc1 ZINC000449062799 338589628 /nfs/dbraw/zinc/58/96/28/338589628.db2.gz MWOBLHVLVLDNSL-UHFFFAOYSA-N 2 0 323.440 3.959 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000449092569 338592616 /nfs/dbraw/zinc/59/26/16/338592616.db2.gz UOGQVUQXYXBNEN-INIZCTEOSA-N 2 0 300.446 3.842 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000449198320 338601736 /nfs/dbraw/zinc/60/17/36/338601736.db2.gz BCEWHICZCYOMGS-KRWDZBQOSA-N 2 0 312.501 3.862 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)CC1 ZINC000449214811 338603104 /nfs/dbraw/zinc/60/31/04/338603104.db2.gz YRDFVVMJRJBJFK-JLAWEPINSA-N 2 0 320.521 3.721 20 0 DHADRP C[NH+](C)C1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC000449263595 338608043 /nfs/dbraw/zinc/60/80/43/338608043.db2.gz IZRYOOUHKSJFNF-UHFFFAOYSA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)Oc1ccc2[nH+]ccc(N3CCC([NH+](C)C)CC3)c2c1 ZINC000450249634 338673290 /nfs/dbraw/zinc/67/32/90/338673290.db2.gz BFOOYZYXFPSEPC-UHFFFAOYSA-N 2 0 313.445 3.552 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccncn1 ZINC000453081947 338791567 /nfs/dbraw/zinc/79/15/67/338791567.db2.gz GOWWWCJRCJJVBD-KRWDZBQOSA-N 2 0 324.472 3.703 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000453117888 338795939 /nfs/dbraw/zinc/79/59/39/338795939.db2.gz JRNIFZIWASODFQ-SJLPKXTDSA-N 2 0 305.510 3.749 20 0 DHADRP CC(C)C1([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000453235525 338811976 /nfs/dbraw/zinc/81/19/76/338811976.db2.gz XTDVYZWWFOKGRU-QGZVFWFLSA-N 2 0 300.490 3.860 20 0 DHADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000194988155 338815609 /nfs/dbraw/zinc/81/56/09/338815609.db2.gz XXUSOIXRPULNNZ-OAQYLSRUSA-N 2 0 324.468 3.716 20 0 DHADRP Cn1ccnc1CC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459334289 339022620 /nfs/dbraw/zinc/02/26/20/339022620.db2.gz LKVACNYRLLJHSL-UHFFFAOYSA-N 2 0 311.420 3.500 20 0 DHADRP CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459413887 339027902 /nfs/dbraw/zinc/02/79/02/339027902.db2.gz XXMWFLQBPCDRES-GOSISDBHSA-N 2 0 309.457 3.661 20 0 DHADRP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459418347 339028083 /nfs/dbraw/zinc/02/80/83/339028083.db2.gz VFKNCSYWXAHDJL-SJORKVTESA-N 2 0 301.478 3.856 20 0 DHADRP C[C@H]1CCCC[C@@H]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459418342 339028087 /nfs/dbraw/zinc/02/80/87/339028087.db2.gz VFKNCSYWXAHDJL-DLBZAZTESA-N 2 0 301.478 3.856 20 0 DHADRP COC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000459667549 339041840 /nfs/dbraw/zinc/04/18/40/339041840.db2.gz AVRGPMLQNBTXLX-YQBZFSLMSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000459722496 339044321 /nfs/dbraw/zinc/04/43/21/339044321.db2.gz BMVBGWNHFCHYNK-QGZVFWFLSA-N 2 0 309.457 3.570 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000459727057 339044545 /nfs/dbraw/zinc/04/45/45/339044545.db2.gz HCAWOVCHQBDKOH-OAHLLOKOSA-N 2 0 315.486 3.632 20 0 DHADRP CCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000459779833 339048176 /nfs/dbraw/zinc/04/81/76/339048176.db2.gz UXQFDQAYVHDMFF-IBGZPJMESA-N 2 0 301.478 3.999 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C12CCC2 ZINC000459782650 339048319 /nfs/dbraw/zinc/04/83/19/339048319.db2.gz MTPNEEDCSXDCDC-DSLXNQLJSA-N 2 0 320.521 3.577 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459794899 339048908 /nfs/dbraw/zinc/04/89/08/339048908.db2.gz UWYUQRYMPMMDTA-FDWYHIAWSA-N 2 0 316.489 3.558 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C12CCC2 ZINC000459798378 339049190 /nfs/dbraw/zinc/04/91/90/339049190.db2.gz XMMVSFJFLFPUPU-DSLXNQLJSA-N 2 0 320.521 3.577 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000462682551 339084012 /nfs/dbraw/zinc/08/40/12/339084012.db2.gz LRGLINUMGJALMJ-WMZOPIPTSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000462774909 339088069 /nfs/dbraw/zinc/08/80/69/339088069.db2.gz PIVGASCQINFHQQ-SJLPKXTDSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000462787494 339088551 /nfs/dbraw/zinc/08/85/51/339088551.db2.gz KGSDYGJVRKARLF-LJDSDSDDSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000462799129 339089545 /nfs/dbraw/zinc/08/95/45/339089545.db2.gz RDAKIZVODNYYGC-YSTOQKLRSA-N 2 0 322.537 3.683 20 0 DHADRP CC(C)O[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000462802930 339089892 /nfs/dbraw/zinc/08/98/92/339089892.db2.gz IWCOPNYLCVYKJE-SQNIBIBYSA-N 2 0 310.526 3.680 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000463081073 339105059 /nfs/dbraw/zinc/10/50/59/339105059.db2.gz BFHNCTUHMGPJFA-CEWLAPEOSA-N 2 0 312.501 3.986 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000464774855 339152578 /nfs/dbraw/zinc/15/25/78/339152578.db2.gz KYDXVTCQNYCPPH-LJQANCHMSA-N 2 0 318.505 3.736 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467305965 339230696 /nfs/dbraw/zinc/23/06/96/339230696.db2.gz VXZLWGUEKOILKF-ZWKOTPCHSA-N 2 0 303.494 3.738 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C(C)(C)C ZINC000467371797 339235040 /nfs/dbraw/zinc/23/50/40/339235040.db2.gz WUTPYQOWYNOUAL-FJIDUMEYSA-N 2 0 310.526 3.538 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C(C)(C)C ZINC000467371800 339235055 /nfs/dbraw/zinc/23/50/55/339235055.db2.gz WUTPYQOWYNOUAL-XDNAFOTISA-N 2 0 310.526 3.538 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000467390249 339236206 /nfs/dbraw/zinc/23/62/06/339236206.db2.gz VFDHTRMLNPANSA-PBHICJAKSA-N 2 0 324.896 3.949 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000468045070 339252542 /nfs/dbraw/zinc/25/25/42/339252542.db2.gz PNHJMBIHXXNIPA-KDOFPFPSSA-N 2 0 300.446 3.604 20 0 DHADRP Cc1cc(Cl)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000468406328 339262310 /nfs/dbraw/zinc/26/23/10/339262310.db2.gz AZAYOSQSPVHYAK-UHFFFAOYSA-N 2 0 306.881 3.956 20 0 DHADRP Cc1cc(N2CC[NH+]3CCC2CC3)c2cc(Cl)cc(C)c2[nH+]1 ZINC000468597567 339266883 /nfs/dbraw/zinc/26/68/83/339266883.db2.gz KMNGCBSEBWPNRX-UHFFFAOYSA-N 2 0 315.848 3.789 20 0 DHADRP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000469851845 339302604 /nfs/dbraw/zinc/30/26/04/339302604.db2.gz MOYMXJYNYNRIPE-ZBFHGGJFSA-N 2 0 300.471 3.893 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000469992787 339307303 /nfs/dbraw/zinc/30/73/03/339307303.db2.gz QUMDBGCDQXUGSA-CQSZACIVSA-N 2 0 318.461 3.986 20 0 DHADRP C[C@@H](CCc1ccccc1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470016240 339308629 /nfs/dbraw/zinc/30/86/29/339308629.db2.gz DPMSRCXOPULKIU-KRWDZBQOSA-N 2 0 300.490 3.719 20 0 DHADRP Clc1cccc(OCCN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000470198716 339313819 /nfs/dbraw/zinc/31/38/19/339313819.db2.gz ANESKIXGJOUCQW-INIZCTEOSA-N 2 0 322.880 3.527 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000470258829 339315377 /nfs/dbraw/zinc/31/53/77/339315377.db2.gz MHBRTPIPKAPCAT-YJNKXOJESA-N 2 0 306.416 3.675 20 0 DHADRP C[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000470364307 339318273 /nfs/dbraw/zinc/31/82/73/339318273.db2.gz UOISKKYJZQKLSQ-CVEARBPZSA-N 2 0 324.896 3.534 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000472265732 339368247 /nfs/dbraw/zinc/36/82/47/339368247.db2.gz YTHMALQCEQQUOH-JKSUJKDBSA-N 2 0 324.896 3.834 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000472562045 339373910 /nfs/dbraw/zinc/37/39/10/339373910.db2.gz GOEJUCOZPPNHBJ-MJGOQNOKSA-N 2 0 304.453 3.565 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474078162 339401213 /nfs/dbraw/zinc/40/12/13/339401213.db2.gz GDDLJUVYBRZEAB-CQSZACIVSA-N 2 0 302.453 3.912 20 0 DHADRP COc1cc2c(N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc[nH+]c2cc1F ZINC000480063374 339557204 /nfs/dbraw/zinc/55/72/04/339557204.db2.gz SMFVWKJQRJWWCZ-QWHCGFSZSA-N 2 0 317.408 3.667 20 0 DHADRP COC1(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000480665050 339582049 /nfs/dbraw/zinc/58/20/49/339582049.db2.gz FRJGXEUCRLPHOF-UHFFFAOYSA-N 2 0 316.489 3.721 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)(C)C)CC2)cc1 ZINC000481719644 339611084 /nfs/dbraw/zinc/61/10/84/339611084.db2.gz TVEDXVVHXACZFL-MRXNPFEDSA-N 2 0 318.505 3.931 20 0 DHADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000482618786 339637555 /nfs/dbraw/zinc/63/75/55/339637555.db2.gz IAEZNOWCZXWVTH-ROUUACIJSA-N 2 0 321.553 3.636 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000482977037 339648974 /nfs/dbraw/zinc/64/89/74/339648974.db2.gz FOIXMZJVUMMSQU-HXUWFJFHSA-N 2 0 316.489 3.928 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC1(C)C ZINC000486972391 339740873 /nfs/dbraw/zinc/74/08/73/339740873.db2.gz PABPAHVEGZHUOL-RHSMWYFYSA-N 2 0 306.519 3.984 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CS1 ZINC000488437066 339782149 /nfs/dbraw/zinc/78/21/49/339782149.db2.gz YFTBWZUITOVZNX-NVXWUHKLSA-N 2 0 310.482 3.507 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000488465647 339784130 /nfs/dbraw/zinc/78/41/30/339784130.db2.gz UABSENAFRZSFRC-DLBZAZTESA-N 2 0 306.519 3.758 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490152277 339827217 /nfs/dbraw/zinc/82/72/17/339827217.db2.gz VDCSZEJTYRPCRN-VYMRPNJYSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1[nH+]ccc(NC2CC[NH+](C3CCCCC3)CC2)c1Cl ZINC000498799983 340023427 /nfs/dbraw/zinc/02/34/27/340023427.db2.gz KWWJJSRUVOBMIK-UHFFFAOYSA-N 2 0 307.869 3.674 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000500445671 340058951 /nfs/dbraw/zinc/05/89/51/340058951.db2.gz JFKHHUNHTXSSMC-MJGOQNOKSA-N 2 0 306.494 3.546 20 0 DHADRP CCC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000500992083 340071766 /nfs/dbraw/zinc/07/17/66/340071766.db2.gz NKZJTFYYHXLLHC-FQEVSTJZSA-N 2 0 323.569 3.741 20 0 DHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[NH+](C)C ZINC000501484076 340082030 /nfs/dbraw/zinc/08/20/30/340082030.db2.gz XCXWBGFDTUURDS-ACCUITESSA-N 2 0 300.368 3.650 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000502480134 340105564 /nfs/dbraw/zinc/10/55/64/340105564.db2.gz GKNWDFFQOJKZES-HCXYKTFWSA-N 2 0 310.526 3.682 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000503037983 340119386 /nfs/dbraw/zinc/11/93/86/340119386.db2.gz UPUNRLKEDOULED-TZIWHRDSSA-N 2 0 324.468 3.520 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000503937292 340137622 /nfs/dbraw/zinc/13/76/22/340137622.db2.gz QRJHUQDDIVDLFV-UHFFFAOYSA-N 2 0 316.420 3.907 20 0 DHADRP C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000504896357 340155012 /nfs/dbraw/zinc/15/50/12/340155012.db2.gz YGUCFBOXMAHBLV-OXHPOLQJSA-N 2 0 300.490 3.817 20 0 DHADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000504896356 340155023 /nfs/dbraw/zinc/15/50/23/340155023.db2.gz YGUCFBOXMAHBLV-OTBHMBEGSA-N 2 0 300.490 3.817 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000506852380 340202861 /nfs/dbraw/zinc/20/28/61/340202861.db2.gz VWRDPGCXQCZWJW-UHFFFAOYSA-N 2 0 316.489 3.564 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000506882264 340203246 /nfs/dbraw/zinc/20/32/46/340203246.db2.gz WDZMTBYMJLWNLL-UHFFFAOYSA-N 2 0 310.432 3.909 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(OC)c1 ZINC000507132919 340208812 /nfs/dbraw/zinc/20/88/12/340208812.db2.gz XGBGWEUHIDHLQS-UHFFFAOYSA-N 2 0 312.457 3.779 20 0 DHADRP CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000507173498 340211151 /nfs/dbraw/zinc/21/11/51/340211151.db2.gz NLXLOVSXZZWLRM-UHFFFAOYSA-N 2 0 300.421 3.909 20 0 DHADRP COCc1ccccc1/C=C(/C)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000507370876 340218250 /nfs/dbraw/zinc/21/82/50/340218250.db2.gz XNVWVPPNUZJEFY-FSEPTYSPSA-N 2 0 316.489 3.510 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507447439 340220040 /nfs/dbraw/zinc/22/00/40/340220040.db2.gz HTOWBJHZZFSCAN-KSSFIOAISA-N 2 0 304.453 3.771 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507447437 340220084 /nfs/dbraw/zinc/22/00/84/340220084.db2.gz HTOWBJHZZFSCAN-KBXCAEBGSA-N 2 0 304.453 3.771 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000507629291 340226880 /nfs/dbraw/zinc/22/68/80/340226880.db2.gz ZYKBAMCNHMBUJH-OALUTQOASA-N 2 0 310.526 3.636 20 0 DHADRP COCc1ccccc1/C=C(/C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000508213165 340240796 /nfs/dbraw/zinc/24/07/96/340240796.db2.gz BMNIEBOTDGCTOA-LGMDPLHJSA-N 2 0 316.489 3.510 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509924187 340282902 /nfs/dbraw/zinc/28/29/02/340282902.db2.gz CIQJFUZHDMVZFF-KSZLIROESA-N 2 0 318.505 3.671 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000510170464 340291417 /nfs/dbraw/zinc/29/14/17/340291417.db2.gz QBHVMYIKFWIDBP-QZDDGCDVSA-N 2 0 308.416 3.832 20 0 DHADRP Cc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000302972124 340291454 /nfs/dbraw/zinc/29/14/54/340291454.db2.gz BKRYNCFCPVXBBB-IBGZPJMESA-N 2 0 300.490 3.939 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000510364356 340297035 /nfs/dbraw/zinc/29/70/35/340297035.db2.gz WBNBUQLZDAIVAL-UZLBHIALSA-N 2 0 316.464 3.867 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000510674535 340306110 /nfs/dbraw/zinc/30/61/10/340306110.db2.gz ISVPXVGXXXHBOL-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510675968 340306191 /nfs/dbraw/zinc/30/61/91/340306191.db2.gz RKRZUBQOTGMFRU-AEFFLSMTSA-N 2 0 322.468 3.635 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)c1 ZINC000510753712 340309774 /nfs/dbraw/zinc/30/97/74/340309774.db2.gz PAUJGVKSBZTBMX-MJGOQNOKSA-N 2 0 322.468 3.635 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000510950803 340316093 /nfs/dbraw/zinc/31/60/93/340316093.db2.gz NCLGRPRGHHJDSP-QQFBHYJXSA-N 2 0 322.443 3.892 20 0 DHADRP CC(C)Sc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000511096850 340320660 /nfs/dbraw/zinc/32/06/60/340320660.db2.gz BRIJYKULRNNWOX-UHFFFAOYSA-N 2 0 306.519 3.961 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512022520 340345591 /nfs/dbraw/zinc/34/55/91/340345591.db2.gz GTRIUHHFYJAIEG-ARJAWSKDSA-N 2 0 308.416 3.690 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512082358 340347906 /nfs/dbraw/zinc/34/79/06/340347906.db2.gz IRJUCSKETZSWQF-WMHVBEDNSA-N 2 0 308.416 3.688 20 0 DHADRP COc1ccsc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512194957 340351853 /nfs/dbraw/zinc/35/18/53/340351853.db2.gz MKQJQIOPQOCDND-JKSUJKDBSA-N 2 0 322.518 3.843 20 0 DHADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512630515 340370051 /nfs/dbraw/zinc/37/00/51/340370051.db2.gz MZJWCZUYWCDCQK-NXWXRZEISA-N 2 0 318.530 3.628 20 0 DHADRP CSCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512632172 340370078 /nfs/dbraw/zinc/37/00/78/340370078.db2.gz XSIBSNZBYQHDDP-GBESFXJTSA-N 2 0 318.530 3.630 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000512964251 340385827 /nfs/dbraw/zinc/38/58/27/340385827.db2.gz NZMWRIGABBPWGS-IEBWSBKVSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2ccc3ccccc3n2)CC1 ZINC000513052711 340390958 /nfs/dbraw/zinc/39/09/58/340390958.db2.gz SNAZUPKSSFBCJK-UHFFFAOYSA-N 2 0 311.473 3.630 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000513708698 340420915 /nfs/dbraw/zinc/42/09/15/340420915.db2.gz VYWOGNYKHFOJFW-OAHLLOKOSA-N 2 0 324.459 3.996 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1Cl ZINC000125334615 340803659 /nfs/dbraw/zinc/80/36/59/340803659.db2.gz XYQOMNDVTYIVTM-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125418495 340804002 /nfs/dbraw/zinc/80/40/02/340804002.db2.gz ZOPJHHNQSXOLGG-INIZCTEOSA-N 2 0 304.478 3.856 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000540316444 340926485 /nfs/dbraw/zinc/92/64/85/340926485.db2.gz VFUWRJSRILEHPU-LJQANCHMSA-N 2 0 304.453 3.988 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000541003530 340955658 /nfs/dbraw/zinc/95/56/58/340955658.db2.gz MVZPOIGKSOZJGO-YJBOKZPZSA-N 2 0 304.478 3.763 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2Cl)[C@@H](C)C1 ZINC000542209968 341000272 /nfs/dbraw/zinc/00/02/72/341000272.db2.gz QQLOFZABZZIKRC-MAUKXSAKSA-N 2 0 308.897 3.935 20 0 DHADRP C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529036 341012386 /nfs/dbraw/zinc/01/23/86/341012386.db2.gz KUDHFVVVKKGTLT-LXZJYRNTSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cc(F)ccc1F ZINC000130564940 341028255 /nfs/dbraw/zinc/02/82/55/341028255.db2.gz HBPTYTXYUFGYMH-LBPRGKRZSA-N 2 0 301.340 3.506 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000543426990 341044081 /nfs/dbraw/zinc/04/40/81/341044081.db2.gz PSOOUSXNYIAYKD-NZSAHSFTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCCCC1 ZINC000544379538 341079129 /nfs/dbraw/zinc/07/91/29/341079129.db2.gz PCERJTWOYAJROS-FGTMMUONSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000544407034 341080655 /nfs/dbraw/zinc/08/06/55/341080655.db2.gz CJSABYAQLYLIPK-AZUAARDMSA-N 2 0 300.490 3.816 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000547396780 341210857 /nfs/dbraw/zinc/21/08/57/341210857.db2.gz OXXZLAHCXWMVLB-UKRRQHHQSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000547396781 341210953 /nfs/dbraw/zinc/21/09/53/341210953.db2.gz OXXZLAHCXWMVLB-ZFWWWQNUSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000237530120 341215328 /nfs/dbraw/zinc/21/53/28/341215328.db2.gz OXZWSHWTAYYREU-QGZVFWFLSA-N 2 0 300.446 3.712 20 0 DHADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000548156658 341250051 /nfs/dbraw/zinc/25/00/51/341250051.db2.gz MJNSMDDKYNJUGM-UHFFFAOYSA-N 2 0 314.477 3.697 20 0 DHADRP CC(C)CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000549542131 341296985 /nfs/dbraw/zinc/29/69/85/341296985.db2.gz COZOZBCTJZPHCS-SCTDSRPQSA-N 2 0 310.526 3.680 20 0 DHADRP CCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000245709892 341311229 /nfs/dbraw/zinc/31/12/29/341311229.db2.gz FUCJBFWBQXFMFW-VQIMIIECSA-N 2 0 304.478 3.638 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cc(OC)ccc3o2)[C@@H](C)C1 ZINC000245719279 341311719 /nfs/dbraw/zinc/31/17/19/341311719.db2.gz HPSATGSZWJQWGG-KBXCAEBGSA-N 2 0 316.445 3.604 20 0 DHADRP Cc1ccc(F)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245966979 341320265 /nfs/dbraw/zinc/32/02/65/341320265.db2.gz NMBZLEORKFZCTQ-KXBFYZLASA-N 2 0 302.437 3.583 20 0 DHADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@H]3C=CCCCCC3)CC2)C[C@H](C)O1 ZINC000551063015 341330738 /nfs/dbraw/zinc/33/07/38/341330738.db2.gz HKFYVNZSHOBVNJ-NSHGMRRFSA-N 2 0 320.521 3.697 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccncc1F ZINC000551064398 341330767 /nfs/dbraw/zinc/33/07/67/341330767.db2.gz ZRCSHOXHAAPFTC-VKJFTORMSA-N 2 0 307.457 3.772 20 0 DHADRP CCC[C@H](CC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551814618 341352881 /nfs/dbraw/zinc/35/28/81/341352881.db2.gz ZZEOVJSUFMIAHW-KRWDZBQOSA-N 2 0 304.478 3.828 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261551715 341353704 /nfs/dbraw/zinc/35/37/04/341353704.db2.gz QVZDHBSFGFVLJM-RTBURBONSA-N 2 0 310.441 3.625 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000246980426 341359534 /nfs/dbraw/zinc/35/95/34/341359534.db2.gz QUVSMOSOJLMMPC-ILXRZTDVSA-N 2 0 306.416 3.962 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc3ccccc32)[C@@H](C)C1 ZINC000247003665 341359779 /nfs/dbraw/zinc/35/97/79/341359779.db2.gz LSLVYWBFPUSSMV-QFBILLFUSA-N 2 0 312.457 3.539 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)Oc1ccccc1Cl ZINC000247177450 341361848 /nfs/dbraw/zinc/36/18/48/341361848.db2.gz SVYXOGAKXDPXRN-INMHGKMJSA-N 2 0 324.896 3.817 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)c(F)c2)C1 ZINC000247248228 341362729 /nfs/dbraw/zinc/36/27/29/341362729.db2.gz ZLVYRFGUENTYGW-ZIAGYGMSSA-N 2 0 310.482 3.930 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000552046619 341364788 /nfs/dbraw/zinc/36/47/88/341364788.db2.gz MOCKPKQPKKBLRJ-UFYCRDLUSA-N 2 0 300.490 3.575 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552063343 341366455 /nfs/dbraw/zinc/36/64/55/341366455.db2.gz XKJPGMBSNSZPSZ-ZCNNSNEGSA-N 2 0 315.505 3.813 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000248060420 341372840 /nfs/dbraw/zinc/37/28/40/341372840.db2.gz YICWZMHQEYDVGQ-FCEWJHQRSA-N 2 0 322.468 3.613 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]2CCC[C@H]21 ZINC000552245215 341380871 /nfs/dbraw/zinc/38/08/71/341380871.db2.gz VDKOANJHALMKMF-OLMNGRFOSA-N 2 0 318.427 3.818 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCOC2CCCCC2)[C@H]2CCC[C@H]21 ZINC000552246232 341381004 /nfs/dbraw/zinc/38/10/04/341381004.db2.gz NHUGLKGGQXJLMZ-HSALFYBXSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000552270775 341382749 /nfs/dbraw/zinc/38/27/49/341382749.db2.gz BYEYZGMBCIOKRB-VAMGGRTRSA-N 2 0 318.505 3.659 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000248648277 341382781 /nfs/dbraw/zinc/38/27/81/341382781.db2.gz ULDCZQNGQLSUIC-HUUCEWRRSA-N 2 0 310.507 3.919 20 0 DHADRP Cc1c([C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cnn1C(C)C ZINC000248685374 341384243 /nfs/dbraw/zinc/38/42/43/341384243.db2.gz GPMYPIYHMXBOMD-HZPDHXFCSA-N 2 0 306.498 3.688 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCCCC3)O2)[C@@H](C)C1 ZINC000248887269 341389457 /nfs/dbraw/zinc/38/94/57/341389457.db2.gz YAJYHJHOCPPNOF-KSZLIROESA-N 2 0 308.510 3.530 20 0 DHADRP C[C@@H](Nc1cc2c(cn1)CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552408093 341391925 /nfs/dbraw/zinc/39/19/25/341391925.db2.gz WBTMEMBSVUIIBK-OXQOHEQNSA-N 2 0 321.468 3.893 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)CN1C1CC1 ZINC000249135192 341394469 /nfs/dbraw/zinc/39/44/69/341394469.db2.gz NHNLCDWCQGDZNL-XNRPHZJLSA-N 2 0 312.379 3.547 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090523282 341416536 /nfs/dbraw/zinc/41/65/36/341416536.db2.gz OMSJOCFEYGPDNJ-KANFNMMFSA-N 2 0 310.526 3.559 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000555226685 341477662 /nfs/dbraw/zinc/47/76/62/341477662.db2.gz FLGIYKAHHJANTR-VDGAXYAQSA-N 2 0 300.490 3.890 20 0 DHADRP c1nc(C2CCCCC2)sc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000565350878 341524868 /nfs/dbraw/zinc/52/48/68/341524868.db2.gz CTPZFQKGYSXWFW-AWEZNQCLSA-N 2 0 307.507 3.670 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC000566571529 341562099 /nfs/dbraw/zinc/56/20/99/341562099.db2.gz DPVCDAOHDULQHQ-HZPDHXFCSA-N 2 0 307.441 3.654 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000568781957 341681567 /nfs/dbraw/zinc/68/15/67/341681567.db2.gz BUWMEZXMCDDYGD-CABCVRRESA-N 2 0 323.278 3.688 20 0 DHADRP Fc1ccccc1C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000575859788 341811022 /nfs/dbraw/zinc/81/10/22/341811022.db2.gz NDCAQMICDIYUHG-FQEVSTJZSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2cccs2)cc1 ZINC000576544428 341851730 /nfs/dbraw/zinc/85/17/30/341851730.db2.gz AVSUYTSTABUIIM-HNNXBMFYSA-N 2 0 318.486 3.644 20 0 DHADRP c1ccc([C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)C2CCC2)cc1 ZINC000576761200 341861983 /nfs/dbraw/zinc/86/19/83/341861983.db2.gz CKTXUWHLNUAVTN-NRFANRHFSA-N 2 0 306.453 3.963 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000576784514 341863140 /nfs/dbraw/zinc/86/31/40/341863140.db2.gz LMJVNACLQZFHSI-ZWKOTPCHSA-N 2 0 320.525 3.548 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000576847092 341866161 /nfs/dbraw/zinc/86/61/61/341866161.db2.gz VXFNTIQVPYJYPD-SFHVURJKSA-N 2 0 304.478 3.776 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000577395522 341907970 /nfs/dbraw/zinc/90/79/70/341907970.db2.gz MLUIEVWALKSHBF-STQMWFEESA-N 2 0 302.384 3.744 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(C)(C)O1 ZINC000157550068 520522379 /nfs/dbraw/zinc/52/23/79/520522379.db2.gz USGDAVQOUHWYMK-QGZVFWFLSA-N 2 0 308.510 3.719 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000163573006 520750917 /nfs/dbraw/zinc/75/09/17/520750917.db2.gz LPJJIOKKECWUDG-HNNXBMFYSA-N 2 0 315.436 3.913 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365051598 521644644 /nfs/dbraw/zinc/64/46/44/521644644.db2.gz GAZZORHKXKSXIX-CLPROHDKSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337343676 522049492 /nfs/dbraw/zinc/04/94/92/522049492.db2.gz SKSVVZVEQXXIFI-OQIJWPOYSA-N 2 0 301.478 3.570 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccccc1OC(F)F ZINC000163283489 522615493 /nfs/dbraw/zinc/61/54/93/522615493.db2.gz MLPUSLKQSBSIAD-ZFWWWQNUSA-N 2 0 312.404 3.671 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000159189558 523296194 /nfs/dbraw/zinc/29/61/94/523296194.db2.gz MQFCWIYYOQIUIW-HXUWFJFHSA-N 2 0 316.489 3.545 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCSCc3ccccc3)C2)C1 ZINC000339435580 523836428 /nfs/dbraw/zinc/83/64/28/523836428.db2.gz CUURXUBNQHVKPP-LJQANCHMSA-N 2 0 318.530 3.728 20 0 DHADRP C[C@H](CCc1ccccc1F)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269054850 524250928 /nfs/dbraw/zinc/25/09/28/524250928.db2.gz WNZAUIXKSXSIRU-OAHLLOKOSA-N 2 0 304.453 3.753 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1 ZINC000130315839 524924867 /nfs/dbraw/zinc/92/48/67/524924867.db2.gz YKQFTJCDQCTQNA-ZOWXZIJZSA-N 2 0 308.516 3.747 20 0 DHADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000156773299 525299731 /nfs/dbraw/zinc/29/97/31/525299731.db2.gz NHMAGWVIZNLNQQ-BZSNNMDCSA-N 2 0 323.484 3.889 20 0 DHADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162576119 525359396 /nfs/dbraw/zinc/35/93/96/525359396.db2.gz LWFQSHQBQIUANR-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1 ZINC000336826931 525439876 /nfs/dbraw/zinc/43/98/76/525439876.db2.gz YKQFTJCDQCTQNA-JMSVASOKSA-N 2 0 308.516 3.747 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000164178191 525537542 /nfs/dbraw/zinc/53/75/42/525537542.db2.gz OGZWTPKOQHOHBW-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000148028545 525605804 /nfs/dbraw/zinc/60/58/04/525605804.db2.gz XGZLPZAYPDKVJA-WHOFXGATSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1cncc(C[NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000189950335 526205189 /nfs/dbraw/zinc/20/51/89/526205189.db2.gz HBRJHMGRWHVKPR-HTZLVSCSSA-N 2 0 323.484 3.636 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000237603528 526257381 /nfs/dbraw/zinc/25/73/81/526257381.db2.gz TZXLDDJZMPDBRY-IAGOWNOFSA-N 2 0 300.490 3.817 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2(C4CC4)CC2)C3)cc1 ZINC000180164638 526472534 /nfs/dbraw/zinc/47/25/34/526472534.db2.gz DWCUTGRKUGMIBZ-IHWFROFDSA-N 2 0 310.485 3.962 20 0 DHADRP c1cnc2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000129212311 526545032 /nfs/dbraw/zinc/54/50/32/526545032.db2.gz BAZXHFQCXKGUFJ-LJQANCHMSA-N 2 0 309.457 3.685 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000120149047 535521721 /nfs/dbraw/zinc/52/17/21/535521721.db2.gz VLXIWPKMCRFPTQ-CVEARBPZSA-N 2 0 319.493 3.806 20 0 DHADRP C[NH+](C)C1CCC(n2c(C[NH3+])cc3cc(Cl)ccc32)CC1 ZINC001168295067 1032067027 /nfs/dbraw/zinc/06/70/27/1032067027.db2.gz SDXLDYYVPOITND-UHFFFAOYSA-N 2 0 305.853 3.799 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCS2 ZINC000037649409 1013207797 /nfs/dbraw/zinc/20/77/97/1013207797.db2.gz RULDNJQMCZAOLM-LRDDRELGSA-N 2 0 322.905 3.951 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000387493843 1013227340 /nfs/dbraw/zinc/22/73/40/1013227340.db2.gz XKRJEDYEQOZCRW-UHFFFAOYSA-N 2 0 319.836 3.556 20 0 DHADRP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000518978513 1013254029 /nfs/dbraw/zinc/25/40/29/1013254029.db2.gz WICZGDFEPVPDKI-ZIAGYGMSSA-N 2 0 316.445 3.596 20 0 DHADRP C[N@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211941990 1013278060 /nfs/dbraw/zinc/27/80/60/1013278060.db2.gz HHKJYKCENFZZCH-UHFFFAOYSA-N 2 0 306.862 3.679 20 0 DHADRP CC[NH+]1CCC(NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000037988323 1013299551 /nfs/dbraw/zinc/29/95/51/1013299551.db2.gz LNKUUBJEFAUKEC-UHFFFAOYSA-N 2 0 318.795 3.515 20 0 DHADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967108 1013339865 /nfs/dbraw/zinc/33/98/65/1013339865.db2.gz BROVCYGSXUNBJU-SMLSOGCJSA-N 2 0 310.485 3.977 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000579895802 1013386458 /nfs/dbraw/zinc/38/64/58/1013386458.db2.gz OXZVOIREQQJALG-OAHLLOKOSA-N 2 0 319.880 3.568 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000120991626 1013427362 /nfs/dbraw/zinc/42/73/62/1013427362.db2.gz LCRQKXFZYFEPQN-LJQANCHMSA-N 2 0 316.395 3.804 20 0 DHADRP CO[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CCCC1 ZINC001167256306 1013453132 /nfs/dbraw/zinc/45/31/32/1013453132.db2.gz VWDCBDNDQDVNHE-QUCCMNQESA-N 2 0 322.537 3.636 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC000303259110 1013497180 /nfs/dbraw/zinc/49/71/80/1013497180.db2.gz DNCKFVHLEOFVOS-LJQANCHMSA-N 2 0 316.489 3.590 20 0 DHADRP C[NH2+]Cc1ccc2c(ccn2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167984731 1013515563 /nfs/dbraw/zinc/51/55/63/1013515563.db2.gz QBPWLEZSRGKLNF-YOFSQIOKSA-N 2 0 323.484 3.939 20 0 DHADRP C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000655683569 1013640520 /nfs/dbraw/zinc/64/05/20/1013640520.db2.gz HNQXDYRGNSUMNQ-IIBYNOLFSA-N 2 0 324.468 3.744 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000579941918 1013681009 /nfs/dbraw/zinc/68/10/09/1013681009.db2.gz NILGZKXWEMWZQT-GOSISDBHSA-N 2 0 302.462 3.613 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cnc2ccsc2c1 ZINC000068692013 1013692104 /nfs/dbraw/zinc/69/21/04/1013692104.db2.gz LEMLEQSMYOUQCE-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655758649 1013693644 /nfs/dbraw/zinc/69/36/44/1013693644.db2.gz CIVWQUJNPZFRCD-RDTXWAMCSA-N 2 0 322.880 3.634 20 0 DHADRP c1coc([C@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCCCC2)c1 ZINC000520308840 1013702749 /nfs/dbraw/zinc/70/27/49/1013702749.db2.gz OQLXWJXHXGAALV-IBGZPJMESA-N 2 0 321.424 3.889 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc12 ZINC000655805934 1013727944 /nfs/dbraw/zinc/72/79/44/1013727944.db2.gz NTAKVKIAPHQGTQ-HRCADAONSA-N 2 0 312.457 3.839 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806147 1013727999 /nfs/dbraw/zinc/72/79/99/1013727999.db2.gz ZWYSPKDKFDFQFU-XPKDYRNWSA-N 2 0 314.395 3.566 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000655804100 1013728380 /nfs/dbraw/zinc/72/83/80/1013728380.db2.gz PLNAZNZKSYKTRG-DKKFBQAASA-N 2 0 320.908 3.981 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000655804977 1013723771 /nfs/dbraw/zinc/72/37/71/1013723771.db2.gz HRHXOKPYJZXZOT-KPEUIFRASA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000655806018 1013727637 /nfs/dbraw/zinc/72/76/37/1013727637.db2.gz XAEAXFMKPQTFMT-HNONPPJISA-N 2 0 306.881 3.906 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)ccc2c1 ZINC000655806989 1013730220 /nfs/dbraw/zinc/73/02/20/1013730220.db2.gz FYYQFZNAHPCQOY-YZVOILCLSA-N 2 0 312.457 3.839 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894987379 1013768540 /nfs/dbraw/zinc/76/85/40/1013768540.db2.gz ZECKLJVIQIYWPB-GFCCVEGCSA-N 2 0 323.893 3.771 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCCCO1 ZINC000655849412 1013775932 /nfs/dbraw/zinc/77/59/32/1013775932.db2.gz OOCXBAUBZOBMDH-RSPOEFSDSA-N 2 0 322.537 3.967 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000340459040 1013813843 /nfs/dbraw/zinc/81/38/43/1013813843.db2.gz BNPDSONESMAOEI-HXUWFJFHSA-N 2 0 316.489 3.871 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cc(C(C)C)ccc2OC)CC1 ZINC000655938615 1013837072 /nfs/dbraw/zinc/83/70/72/1013837072.db2.gz YWGGZOZUKORVOE-UHFFFAOYSA-N 2 0 304.478 3.640 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000441458316 1013899189 /nfs/dbraw/zinc/89/91/89/1013899189.db2.gz NRMHHFXSUVNFQX-IBGZPJMESA-N 2 0 300.490 3.920 20 0 DHADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000189053777 1013905784 /nfs/dbraw/zinc/90/57/84/1013905784.db2.gz KTPIIKAYINRUGE-FPOVZHCZSA-N 2 0 312.501 3.862 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000564583881 1014047815 /nfs/dbraw/zinc/04/78/15/1014047815.db2.gz CMTMGFXLOPBRGA-SWHYSGLUSA-N 2 0 301.261 3.784 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000564583970 1014048675 /nfs/dbraw/zinc/04/86/75/1014048675.db2.gz CTSKMCBZUAYAMG-CABCVRRESA-N 2 0 314.395 3.843 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2cn1 ZINC000683831842 1014055626 /nfs/dbraw/zinc/05/56/26/1014055626.db2.gz JICCOQDAZHBMTP-FPOVZHCZSA-N 2 0 321.468 3.684 20 0 DHADRP C[C@@H]1C[C@@H](N[C@H]2CC3(CCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000361748396 1032080393 /nfs/dbraw/zinc/08/03/93/1032080393.db2.gz AWYVDZFFEQSTGP-VYDXJSESSA-N 2 0 300.446 3.505 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000565638658 1014105052 /nfs/dbraw/zinc/10/50/52/1014105052.db2.gz QAHMNPNQQKVBRF-LSTHTHJFSA-N 2 0 318.505 3.817 20 0 DHADRP COCCC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000656199188 1014106143 /nfs/dbraw/zinc/10/61/43/1014106143.db2.gz WUBVHQRCLDXLCK-NJAFHUGGSA-N 2 0 324.896 3.710 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1cc2ccccc2[nH]1)Cc1ccccc1 ZINC000683926960 1014117867 /nfs/dbraw/zinc/11/78/67/1014117867.db2.gz CUWWDNMWCFYZBG-UHFFFAOYSA-N 2 0 307.441 3.780 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000125560809 1014124268 /nfs/dbraw/zinc/12/42/68/1014124268.db2.gz ASTPOBIJNXUXNQ-AWEZNQCLSA-N 2 0 318.461 3.938 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000580461002 1014142555 /nfs/dbraw/zinc/14/25/55/1014142555.db2.gz GAJPVFFWVYETFU-WFASDCNBSA-N 2 0 304.821 3.912 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3ccccc3)o2)C1 ZINC000580499001 1014175466 /nfs/dbraw/zinc/17/54/66/1014175466.db2.gz JDFJRNQVUNDBND-PKOBYXMFSA-N 2 0 310.441 3.863 20 0 DHADRP C[NH2+]Cc1cccc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC001211140234 1014192306 /nfs/dbraw/zinc/19/23/06/1014192306.db2.gz DSCKVJJCBHVZRC-SFHVURJKSA-N 2 0 311.429 3.535 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000125931457 1014224622 /nfs/dbraw/zinc/22/46/22/1014224622.db2.gz YOKVZXCRQYAHFZ-LJQANCHMSA-N 2 0 317.521 3.611 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000580624536 1014254007 /nfs/dbraw/zinc/25/40/07/1014254007.db2.gz VBHQPHPNWLWECQ-PKOBYXMFSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C[C@H](C)O1 ZINC001167424368 1014255805 /nfs/dbraw/zinc/25/58/05/1014255805.db2.gz HSKWCKQQXXLHCD-OBKDMQGPSA-N 2 0 322.537 3.776 20 0 DHADRP CC[C@@H](C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000580678415 1014284270 /nfs/dbraw/zinc/28/42/70/1014284270.db2.gz WWJCWLOEPYHLIB-FXAWDEMLSA-N 2 0 300.490 3.844 20 0 DHADRP CCc1nc2c(s1)[C@H]([N@H+](C)CCCC1CC[NH2+]CC1)CCC2 ZINC000647989607 1014310595 /nfs/dbraw/zinc/31/05/95/1014310595.db2.gz LSUIFOKLMDPTJB-MRXNPFEDSA-N 2 0 321.534 3.795 20 0 DHADRP CCSc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000580740005 1014324097 /nfs/dbraw/zinc/32/40/97/1014324097.db2.gz AWUGDJNMDRSNKW-SFHVURJKSA-N 2 0 318.530 3.962 20 0 DHADRP Cc1ccoc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000348653756 1014325816 /nfs/dbraw/zinc/32/58/16/1014325816.db2.gz XAOLJMHFYJNQAQ-FQEVSTJZSA-N 2 0 310.441 3.686 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+](C)C)CCCS2 ZINC000275945783 1014328671 /nfs/dbraw/zinc/32/86/71/1014328671.db2.gz ZWOIOBIJNGWDJS-MRXNPFEDSA-N 2 0 308.491 3.554 20 0 DHADRP C[N@@H+]1CC[C@]2(CCN(Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560171 1014338942 /nfs/dbraw/zinc/33/89/42/1014338942.db2.gz INDUUXHRFMIMPG-SFHVURJKSA-N 2 0 319.518 3.718 20 0 DHADRP Cc1cccc(C)c1OC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000647992090 1014355668 /nfs/dbraw/zinc/35/56/68/1014355668.db2.gz CYPFNOCIOCYDSB-QUCCMNQESA-N 2 0 324.468 3.623 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000580812814 1014370058 /nfs/dbraw/zinc/37/00/58/1014370058.db2.gz XLVZDIMDPDCKHP-LJQANCHMSA-N 2 0 316.489 3.927 20 0 DHADRP C[C@H]1CC(NCc2cccn2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168004859 1014378146 /nfs/dbraw/zinc/37/81/46/1014378146.db2.gz ASVIFKYLESCNSZ-IRXDYDNUSA-N 2 0 311.473 3.556 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000177836263 1014410429 /nfs/dbraw/zinc/41/04/29/1014410429.db2.gz YQLPVMOORBTBMS-LJQANCHMSA-N 2 0 316.489 3.783 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000320756244 1014481578 /nfs/dbraw/zinc/48/15/78/1014481578.db2.gz WORQHBSTDSZDFR-MRXNPFEDSA-N 2 0 306.494 3.514 20 0 DHADRP C[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000123359552 1014489342 /nfs/dbraw/zinc/48/93/42/1014489342.db2.gz SYMIGOFRGBICLM-PBHICJAKSA-N 2 0 315.486 3.552 20 0 DHADRP c1ccc2c(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccnc2c1 ZINC000665239225 1014514632 /nfs/dbraw/zinc/51/46/32/1014514632.db2.gz OEOCUGBXSHCATC-CEWLAPEOSA-N 2 0 323.484 3.678 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)c2ccccc21 ZINC000665238852 1014515999 /nfs/dbraw/zinc/51/59/99/1014515999.db2.gz FZXTWFGKBCVLJM-QUCCMNQESA-N 2 0 303.409 3.512 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)c2ccccc21 ZINC000665238853 1014516865 /nfs/dbraw/zinc/51/68/65/1014516865.db2.gz FZXTWFGKBCVLJM-UYAOXDASSA-N 2 0 303.409 3.512 20 0 DHADRP C[C@@H](NCC1([NH3+])CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000665249606 1014553492 /nfs/dbraw/zinc/55/34/92/1014553492.db2.gz UIBCPNOYRBDASX-LLVKDONJSA-N 2 0 302.340 3.507 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000665272307 1014633687 /nfs/dbraw/zinc/63/36/87/1014633687.db2.gz CBYPTHOYVHAHKE-RKDXNWHRSA-N 2 0 308.310 3.755 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000665273454 1014636092 /nfs/dbraw/zinc/63/60/92/1014636092.db2.gz XMEXPUVFFOYXIS-ONGXEEELSA-N 2 0 320.321 3.900 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665274716 1014637490 /nfs/dbraw/zinc/63/74/90/1014637490.db2.gz WYYSHDBMTNQJSF-UIDBIOKJSA-N 2 0 300.437 3.855 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000521115924 1014647822 /nfs/dbraw/zinc/64/78/22/1014647822.db2.gz BBTJDMSHMCQMPX-SFHVURJKSA-N 2 0 304.478 3.556 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000665281538 1014675085 /nfs/dbraw/zinc/67/50/85/1014675085.db2.gz FUTUEKUGCSJKEG-YVECIDJPSA-N 2 0 300.899 3.857 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000581304618 1014693705 /nfs/dbraw/zinc/69/37/05/1014693705.db2.gz RRGGUWJGEYITFS-ZBFHGGJFSA-N 2 0 314.395 3.931 20 0 DHADRP Cc1ccccc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000581314080 1014700581 /nfs/dbraw/zinc/70/05/81/1014700581.db2.gz DDFUPWMDJBUTSG-UHFFFAOYSA-N 2 0 300.490 3.924 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000581338588 1014721645 /nfs/dbraw/zinc/72/16/45/1014721645.db2.gz IWPBROCKENXXBM-QGZVFWFLSA-N 2 0 319.880 3.711 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000581349237 1014728216 /nfs/dbraw/zinc/72/82/16/1014728216.db2.gz NXQMVDHEXCTSNZ-SFHVURJKSA-N 2 0 316.489 3.784 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000442927540 1014770812 /nfs/dbraw/zinc/77/08/12/1014770812.db2.gz NWSPCCGDNOLLFC-LLVKDONJSA-N 2 0 320.786 3.920 20 0 DHADRP C[C@@H]1CC([NH2+]C[C@H]2C[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015098 1014815375 /nfs/dbraw/zinc/81/53/75/1014815375.db2.gz ORRMIGNCDSNPLB-JOCBIADPSA-N 2 0 304.453 3.766 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000581455349 1014870127 /nfs/dbraw/zinc/87/01/27/1014870127.db2.gz FSYAUFHJBSKBLC-MJJDPTRDSA-N 2 0 308.416 3.532 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000581467583 1014878393 /nfs/dbraw/zinc/87/83/93/1014878393.db2.gz YHYSXHHMEQOQSN-LJQANCHMSA-N 2 0 314.473 3.537 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000581467582 1014878996 /nfs/dbraw/zinc/87/89/96/1014878996.db2.gz YHYSXHHMEQOQSN-IBGZPJMESA-N 2 0 314.473 3.537 20 0 DHADRP Cc1cc(OCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1C(C)C ZINC000605421241 1014900093 /nfs/dbraw/zinc/90/00/93/1014900093.db2.gz DJTFIQUJKOCCCZ-GOSISDBHSA-N 2 0 318.505 3.771 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)cc1 ZINC000581502511 1014941633 /nfs/dbraw/zinc/94/16/33/1014941633.db2.gz RKJZXEXZILPQQJ-UHFFFAOYSA-N 2 0 304.478 3.541 20 0 DHADRP C[NH+](C)C1(C)CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000931353897 1032106190 /nfs/dbraw/zinc/10/61/90/1032106190.db2.gz GDCGMCFBRGCVHG-UHFFFAOYSA-N 2 0 306.416 3.771 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000341195035 1014983807 /nfs/dbraw/zinc/98/38/07/1014983807.db2.gz SBSOWOTXQALMCZ-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C)sc2C)CC1 ZINC000443620733 1015034856 /nfs/dbraw/zinc/03/48/56/1015034856.db2.gz DUIOWXSJOXWPNQ-UHFFFAOYSA-N 2 0 309.523 3.704 20 0 DHADRP CC(C)n1nccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000684356224 1015112042 /nfs/dbraw/zinc/11/20/42/1015112042.db2.gz NBCDXSQMXSZEHN-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)ccc2n1 ZINC000656783647 1015148142 /nfs/dbraw/zinc/14/81/42/1015148142.db2.gz SDVUIOQOCWPFFD-HXUWFJFHSA-N 2 0 323.484 3.755 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc2cccnc12 ZINC000656786609 1015158396 /nfs/dbraw/zinc/15/83/96/1015158396.db2.gz OHACCQDEYLDCSO-FQEVSTJZSA-N 2 0 323.484 3.755 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000684390149 1015238415 /nfs/dbraw/zinc/23/84/15/1015238415.db2.gz SYPDUKBRNHGFEP-MOPGFXCFSA-N 2 0 304.478 3.574 20 0 DHADRP COCc1csc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000895682105 1015260071 /nfs/dbraw/zinc/26/00/71/1015260071.db2.gz AMKOKMVHQURBKP-UHFFFAOYSA-N 2 0 310.507 3.592 20 0 DHADRP C[C@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)c1cc(F)cc(F)c1 ZINC000449266254 1015387224 /nfs/dbraw/zinc/38/72/24/1015387224.db2.gz UNRUKPCOAPEGCS-CQSZACIVSA-N 2 0 308.416 3.629 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2scnc2C)CC1 ZINC000341532518 1015462352 /nfs/dbraw/zinc/46/23/52/1015462352.db2.gz BSGWPZVAYBFNMH-UHFFFAOYSA-N 2 0 309.523 3.786 20 0 DHADRP CC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000399068460 1015464708 /nfs/dbraw/zinc/46/47/08/1015464708.db2.gz NCUBITKSGKGTLN-GLQYFDAESA-N 2 0 311.267 3.630 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCSCC1 ZINC000474612449 1015486432 /nfs/dbraw/zinc/48/64/32/1015486432.db2.gz JKYGTNRTYIPMHY-BZUAXINKSA-N 2 0 312.567 3.864 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000090417207 1015488430 /nfs/dbraw/zinc/48/84/30/1015488430.db2.gz AYDAJQNQNCAAOJ-NSHDSACASA-N 2 0 307.438 3.503 20 0 DHADRP CCC[N@H+](CCOC)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168039271 1015495361 /nfs/dbraw/zinc/49/53/61/1015495361.db2.gz CQHZVSWCTCSWTI-OPVJXMOQSA-N 2 0 318.505 3.786 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCCS1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000327715706 1015531088 /nfs/dbraw/zinc/53/10/88/1015531088.db2.gz CZSMMOSPVYFHFV-UHOSZYNNSA-N 2 0 318.530 3.772 20 0 DHADRP C[N@@H+]1CCCC[C@H](CNCc2csc(C(F)(F)F)c2)C1 ZINC000623658178 1017156850 /nfs/dbraw/zinc/15/68/50/1017156850.db2.gz MJTBECYCNXHJNZ-LLVKDONJSA-N 2 0 306.397 3.588 20 0 DHADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCC1 ZINC000474816440 1015618241 /nfs/dbraw/zinc/61/82/41/1015618241.db2.gz KNILHDZGTYHPDT-YZLZLFLDSA-N 2 0 300.490 3.921 20 0 DHADRP CCc1cccc(F)c1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000474880978 1015680372 /nfs/dbraw/zinc/68/03/72/1015680372.db2.gz QOOTYASFQBSQFG-UHFFFAOYSA-N 2 0 318.411 3.879 20 0 DHADRP CCCC[C@@H]([NH2+]CCn1ccnc1C)c1ccc(OC)cc1 ZINC000341792412 1015736026 /nfs/dbraw/zinc/73/60/26/1015736026.db2.gz UPBJCKLDEKWDCX-GOSISDBHSA-N 2 0 301.434 3.721 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000684558004 1015737412 /nfs/dbraw/zinc/73/74/12/1015737412.db2.gz TVWIVCYTYAUBBZ-FNHZYXHNSA-N 2 0 304.453 3.782 20 0 DHADRP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000475046480 1015803844 /nfs/dbraw/zinc/80/38/44/1015803844.db2.gz LUBVXNITMKUWCE-QUCCMNQESA-N 2 0 322.537 3.516 20 0 DHADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535806192 1015835948 /nfs/dbraw/zinc/83/59/48/1015835948.db2.gz KARCCYWQJOKWRL-YJBOKZPZSA-N 2 0 312.457 3.911 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000281128586 1015837746 /nfs/dbraw/zinc/83/77/46/1015837746.db2.gz DVHNAZGJAZUKHA-KBXCAEBGSA-N 2 0 320.452 3.532 20 0 DHADRP CCC1([NH+](C)C)CC[NH+]([C@@H](CCOC)c2ccccc2)CC1 ZINC000640017277 1015910317 /nfs/dbraw/zinc/91/03/17/1015910317.db2.gz KIHBSIKVTQGUAQ-SFHVURJKSA-N 2 0 304.478 3.570 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684614328 1015910680 /nfs/dbraw/zinc/91/06/80/1015910680.db2.gz VHGBHJFTLJQWOU-MOPGFXCFSA-N 2 0 321.553 3.517 20 0 DHADRP C[NH+](C)[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000277166730 1015970740 /nfs/dbraw/zinc/97/07/40/1015970740.db2.gz KNHQGKFUUMYWNY-AWEZNQCLSA-N 2 0 316.367 3.501 20 0 DHADRP Fc1ccc2c(c1)nccc2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150893353 1015998985 /nfs/dbraw/zinc/99/89/85/1015998985.db2.gz FFIVEFGQPOUUAZ-MRXNPFEDSA-N 2 0 313.420 3.829 20 0 DHADRP CC1(C)CC([NH2+]Cc2cc3ccncc3s2)CC(C)(C)[NH2+]1 ZINC000657293209 1016209037 /nfs/dbraw/zinc/20/90/37/1016209037.db2.gz VJFOCKHCMXCILB-UHFFFAOYSA-N 2 0 303.475 3.695 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657292666 1016210906 /nfs/dbraw/zinc/21/09/06/1016210906.db2.gz CDQMZPUBSVNVMC-CQSZACIVSA-N 2 0 303.475 3.650 20 0 DHADRP COc1ccccc1[C@@H](CC(C)C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000342308903 1016250906 /nfs/dbraw/zinc/25/09/06/1016250906.db2.gz URQFTVSKRPJFNX-FUHWJXTLSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657311427 1016295469 /nfs/dbraw/zinc/29/54/69/1016295469.db2.gz KCVLZRXZTRGUTL-OAHLLOKOSA-N 2 0 317.502 3.898 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCCO1 ZINC000346486861 1016417462 /nfs/dbraw/zinc/41/74/62/1016417462.db2.gz OPUYTVZPEUDLQC-PXNSSMCTSA-N 2 0 316.489 3.720 20 0 DHADRP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000892230309 1016529547 /nfs/dbraw/zinc/52/95/47/1016529547.db2.gz WZKGFMWGNGSXLI-BBRMVZONSA-N 2 0 312.379 3.679 20 0 DHADRP COCCCC1(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCC1 ZINC000892234340 1016539362 /nfs/dbraw/zinc/53/93/62/1016539362.db2.gz DFSVTCHHZQDNCI-PKOBYXMFSA-N 2 0 320.521 3.532 20 0 DHADRP FC(F)(F)C1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000361900233 1032148531 /nfs/dbraw/zinc/14/85/31/1032148531.db2.gz MATGLNQRCWCOMP-UHFFFAOYSA-N 2 0 304.400 3.714 20 0 DHADRP C[NH+](C)Cc1cccc(-c2ccc(C[NH3+])c(C(F)(F)F)c2)c1 ZINC000629706925 1016587154 /nfs/dbraw/zinc/58/71/54/1016587154.db2.gz PNEHQXSUSZWILB-UHFFFAOYSA-N 2 0 308.347 3.893 20 0 DHADRP C[NH+](C)Cc1ccc(F)c(-c2ccc3c(c2)[C@@H]([NH3+])CSC3)c1 ZINC000629736951 1016635539 /nfs/dbraw/zinc/63/55/39/1016635539.db2.gz MVLQTHLNMYLCRY-SFHVURJKSA-N 2 0 316.445 3.801 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000684835626 1016642849 /nfs/dbraw/zinc/64/28/49/1016642849.db2.gz FZKZQDIOPYNARF-SOAGJPPSSA-N 2 0 316.489 3.588 20 0 DHADRP CCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000037539096 1016648519 /nfs/dbraw/zinc/64/85/19/1016648519.db2.gz GEDWGKNKXUDANC-UHFFFAOYSA-N 2 0 301.261 3.957 20 0 DHADRP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)ccc21 ZINC000347035903 1016691483 /nfs/dbraw/zinc/69/14/83/1016691483.db2.gz DRHOTQRSVDWGQI-MRXNPFEDSA-N 2 0 307.441 3.595 20 0 DHADRP CCC[N@H+](Cc1cc(Cl)cc2cccnc21)C1CC[NH2+]CC1 ZINC000347021788 1016696524 /nfs/dbraw/zinc/69/65/24/1016696524.db2.gz NPNCZKGIOYIEJY-UHFFFAOYSA-N 2 0 317.864 3.852 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347046506 1016715953 /nfs/dbraw/zinc/71/59/53/1016715953.db2.gz OJQJOFPOAHGOTJ-HNAYVOBHSA-N 2 0 312.457 3.796 20 0 DHADRP Cc1ccc2cc(C[NH2+]CCC[N@H+]3CCCC[C@@H]3C)ccc2n1 ZINC000336872619 1016732655 /nfs/dbraw/zinc/73/26/55/1016732655.db2.gz OYGANXAAMYBHTC-KRWDZBQOSA-N 2 0 311.473 3.897 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000347086063 1016735922 /nfs/dbraw/zinc/73/59/22/1016735922.db2.gz BLJFMHFAUJXETP-ZDUSSCGKSA-N 2 0 302.393 3.645 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2)C[C@H](C)O1 ZINC000342629119 1016881150 /nfs/dbraw/zinc/88/11/50/1016881150.db2.gz SCUIDTKUDXSZIQ-JTDSTZFVSA-N 2 0 316.489 3.574 20 0 DHADRP C[N@@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623337678 1016965360 /nfs/dbraw/zinc/96/53/60/1016965360.db2.gz TVOICSOESDWHPT-AWEZNQCLSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000475118727 1016975123 /nfs/dbraw/zinc/97/51/23/1016975123.db2.gz KNFKZXNIWYUXER-UHFFFAOYSA-N 2 0 300.490 3.913 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344690 1016976795 /nfs/dbraw/zinc/97/67/95/1016976795.db2.gz ZIVHMVPCGLRFJM-WMZOPIPTSA-N 2 0 302.462 3.609 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623357071 1016987183 /nfs/dbraw/zinc/98/71/83/1016987183.db2.gz YUKGQTYCDVBWPD-UHFFFAOYSA-N 2 0 322.456 3.693 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623359920 1016989162 /nfs/dbraw/zinc/98/91/62/1016989162.db2.gz JLNRUKBEKIJTAJ-WBVHZDCISA-N 2 0 304.478 3.997 20 0 DHADRP C[N@@H+]1CC[C@H](N[C@@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374678 1017006668 /nfs/dbraw/zinc/00/66/68/1017006668.db2.gz KXUAJXYRSUZBHW-SWLSCSKDSA-N 2 0 308.853 3.626 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623399078 1017021711 /nfs/dbraw/zinc/02/17/11/1017021711.db2.gz XNGKAPPLDJRUGV-INIZCTEOSA-N 2 0 306.881 3.834 20 0 DHADRP Cc1nccn1CCCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623429987 1017042175 /nfs/dbraw/zinc/04/21/75/1017042175.db2.gz YSOSTNPBSRXWRJ-UHFFFAOYSA-N 2 0 317.380 3.842 20 0 DHADRP COc1ccc([C@@H](C)CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623430094 1017042501 /nfs/dbraw/zinc/04/25/01/1017042501.db2.gz ARHNYRPKXYTIJL-RDJZCZTQSA-N 2 0 304.478 3.651 20 0 DHADRP Cc1nccn1CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623429473 1017042686 /nfs/dbraw/zinc/04/26/86/1017042686.db2.gz FGXVKAPMGQCGQZ-UHFFFAOYSA-N 2 0 317.380 3.842 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623430093 1017043008 /nfs/dbraw/zinc/04/30/08/1017043008.db2.gz ARHNYRPKXYTIJL-NVXWUHKLSA-N 2 0 304.478 3.651 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000623442672 1017051247 /nfs/dbraw/zinc/05/12/47/1017051247.db2.gz YLMHQFUHFHZNGT-MJBXVCDLSA-N 2 0 306.416 3.818 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000361931628 1032160615 /nfs/dbraw/zinc/16/06/15/1032160615.db2.gz XJHNONCVIXIWHP-IAGOWNOFSA-N 2 0 312.885 3.738 20 0 DHADRP Fc1ccc(SCC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000361943112 1032166110 /nfs/dbraw/zinc/16/61/10/1032166110.db2.gz JTSBWAVKIIZSTO-CYBMUJFWSA-N 2 0 305.422 3.521 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CCC2 ZINC000361965495 1032176105 /nfs/dbraw/zinc/17/61/05/1032176105.db2.gz DHSFJFBZMPAIRM-FRQCXROJSA-N 2 0 302.462 3.535 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493424 1017071870 /nfs/dbraw/zinc/07/18/70/1017071870.db2.gz DWEZAGDMDIZUAB-DLBZAZTESA-N 2 0 316.489 3.578 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000192805374 1017070190 /nfs/dbraw/zinc/07/01/90/1017070190.db2.gz JBJSLYYJPBDOAP-TXPKVOOTSA-N 2 0 303.494 3.669 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC001168323022 1032263478 /nfs/dbraw/zinc/26/34/78/1032263478.db2.gz NDGRPGXSIPXPQA-UHFFFAOYSA-N 2 0 316.489 3.540 20 0 DHADRP COc1ccccc1C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324621 1032271435 /nfs/dbraw/zinc/27/14/35/1032271435.db2.gz RRVMHSFCLFSZLJ-UHFFFAOYSA-N 2 0 316.489 3.747 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001168323419 1032272878 /nfs/dbraw/zinc/27/28/78/1032272878.db2.gz YSWCHKOJOTVNTH-HDYDNRTBSA-N 2 0 300.490 3.814 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC001168328245 1032299920 /nfs/dbraw/zinc/29/99/20/1032299920.db2.gz BMAZXXPDIPOMIE-UHFFFAOYSA-N 2 0 318.480 3.953 20 0 DHADRP c1ccc(CCCC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001204885120 1032357003 /nfs/dbraw/zinc/35/70/03/1032357003.db2.gz JEMQCERLPLBZLY-HXUWFJFHSA-N 2 0 300.490 3.721 20 0 DHADRP OCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000120431585 1032371530 /nfs/dbraw/zinc/37/15/30/1032371530.db2.gz AJBACBDVGLVBHP-HXUWFJFHSA-N 2 0 322.537 3.704 20 0 DHADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120886714 1032393605 /nfs/dbraw/zinc/39/36/05/1032393605.db2.gz MEKDYDNFSSLEGQ-XOBRGWDASA-N 2 0 312.432 3.910 20 0 DHADRP C[N@@H+](Cc1cnc(C2CCCCC2)s1)CC1CC[NH+](C)CC1 ZINC000537636425 1032445300 /nfs/dbraw/zinc/44/53/00/1032445300.db2.gz QMVPXMCUUXPYQH-UHFFFAOYSA-N 2 0 321.534 3.964 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171338632 1032445708 /nfs/dbraw/zinc/44/57/08/1032445708.db2.gz WVGNHQHFSKKAKS-QGZVFWFLSA-N 2 0 322.443 3.806 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684953390 1017086013 /nfs/dbraw/zinc/08/60/13/1017086013.db2.gz MLPYWTDVXOKXFV-SCTDSRPQSA-N 2 0 315.505 3.807 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684953393 1017086564 /nfs/dbraw/zinc/08/65/64/1017086564.db2.gz MLPYWTDVXOKXFV-ZHALLVOQSA-N 2 0 315.505 3.807 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000121660410 1032460480 /nfs/dbraw/zinc/46/04/80/1032460480.db2.gz CZXBUUPLGFIHFD-AWEZNQCLSA-N 2 0 308.441 3.607 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000121758476 1032469763 /nfs/dbraw/zinc/46/97/63/1032469763.db2.gz PWDFRABRUMYYEO-IAGOWNOFSA-N 2 0 318.505 3.899 20 0 DHADRP CCc1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)o1 ZINC000282756089 1032482716 /nfs/dbraw/zinc/48/27/16/1032482716.db2.gz ONFFNLHOZUYFFG-HNNXBMFYSA-N 2 0 313.445 3.754 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000179797795 1017308433 /nfs/dbraw/zinc/30/84/33/1017308433.db2.gz WPDGEJVQVWBISW-INIZCTEOSA-N 2 0 304.478 3.605 20 0 DHADRP Fc1cc(F)c2c(c1)C[C@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001171349275 1032509366 /nfs/dbraw/zinc/50/93/66/1032509366.db2.gz HMTVPNZCOVMAJL-QGZVFWFLSA-N 2 0 322.443 3.678 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171356532 1032514676 /nfs/dbraw/zinc/51/46/76/1032514676.db2.gz AXXIBVRIOLKRKG-ULQDDVLXSA-N 2 0 322.443 3.802 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001172868191 1033407381 /nfs/dbraw/zinc/40/73/81/1033407381.db2.gz SHWIDKMMHNRHLR-CYBMUJFWSA-N 2 0 312.860 3.684 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccn2C)CC1 ZINC000093844603 1032561131 /nfs/dbraw/zinc/56/11/31/1032561131.db2.gz FMWJOJSGQDNTMJ-KRWDZBQOSA-N 2 0 303.494 3.502 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1CCCOc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424287057 1011956244 /nfs/dbraw/zinc/95/62/44/1011956244.db2.gz IIFIQLOYFCDDFC-OAHLLOKOSA-N 2 0 322.880 3.573 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C3)cc1 ZINC000424327004 1011982418 /nfs/dbraw/zinc/98/24/18/1011982418.db2.gz MIZJBMYSOALBEJ-JRSUCEMESA-N 2 0 310.485 3.960 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1CCCCCOc1ccccc1)CC[NH2+]CC2 ZINC000424380575 1012011651 /nfs/dbraw/zinc/01/16/51/1012011651.db2.gz QAUGPGNDUKPZJM-SFHVURJKSA-N 2 0 316.489 3.700 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424377619 1012013908 /nfs/dbraw/zinc/01/39/08/1012013908.db2.gz MKEBUHDNUJNIEH-INIZCTEOSA-N 2 0 324.468 3.812 20 0 DHADRP CCSc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424372452 1012014365 /nfs/dbraw/zinc/01/43/65/1012014365.db2.gz FRKSHCLSKSPWOF-OAHLLOKOSA-N 2 0 304.503 3.763 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424368374 1012014650 /nfs/dbraw/zinc/01/46/50/1012014650.db2.gz PTBXEUIQRFBHKD-VCTAVGKDSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OC(F)F)cc1 ZINC000643545710 1012087525 /nfs/dbraw/zinc/08/75/25/1012087525.db2.gz BEZXQIHBSOORMT-GXTWGEPZSA-N 2 0 310.388 3.613 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000643546507 1012089275 /nfs/dbraw/zinc/08/92/75/1012089275.db2.gz PNSNHPNAZFZZOW-OCCSQVGLSA-N 2 0 308.466 3.873 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647989086 1012091683 /nfs/dbraw/zinc/09/16/83/1012091683.db2.gz GXAIQWQDEGYCQY-UHFFFAOYSA-N 3 0 323.569 3.600 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546315 1012093810 /nfs/dbraw/zinc/09/38/10/1012093810.db2.gz MKLZVSRMIAHFGU-NVXWUHKLSA-N 2 0 302.462 3.799 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2c(s1)CCCC2 ZINC000643546306 1012093951 /nfs/dbraw/zinc/09/39/51/1012093951.db2.gz MDXDSPHNJDPOOX-DZGCQCFKSA-N 2 0 304.503 3.952 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000153911333 1012131110 /nfs/dbraw/zinc/13/11/10/1012131110.db2.gz OYWHFRHSRQGEAL-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411409 1032613527 /nfs/dbraw/zinc/61/35/27/1032613527.db2.gz ISURFZBPDXAUFF-KRWDZBQOSA-N 2 0 318.480 3.926 20 0 DHADRP C[C@@H]1C[C@H]([N@H+](C)CCCOc2cccc(Cl)c2)CCN1C ZINC000123140044 1032625602 /nfs/dbraw/zinc/62/56/02/1032625602.db2.gz LXSPUIIFJGXZOW-GDBMZVCRSA-N 2 0 310.869 3.523 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000425337985 1012462259 /nfs/dbraw/zinc/46/22/59/1012462259.db2.gz APEIKWPJXHCVOO-UOVPBQLFSA-N 2 0 318.530 3.627 20 0 DHADRP CCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093175 1012520267 /nfs/dbraw/zinc/52/02/67/1012520267.db2.gz XKJCOYRPPROVNI-UHFFFAOYSA-N 2 0 300.368 3.669 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171419851 1032630938 /nfs/dbraw/zinc/63/09/38/1032630938.db2.gz VOWYLLYLBWSDOV-RDJZCZTQSA-N 2 0 304.453 3.524 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000515417509 1012622555 /nfs/dbraw/zinc/62/25/55/1012622555.db2.gz WURYOGZKIIGNRP-SWLSCSKDSA-N 2 0 300.368 3.840 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)ccc2c1 ZINC000324218115 1012635009 /nfs/dbraw/zinc/63/50/09/1012635009.db2.gz RAFHAGICTGCTLI-PZJWPPBQSA-N 2 0 324.468 3.812 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000179405238 1012671488 /nfs/dbraw/zinc/67/14/88/1012671488.db2.gz IERJANBZRFHKSC-IBGZPJMESA-N 2 0 315.436 3.818 20 0 DHADRP CN(C)c1ccncc1C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001202749887 1032649974 /nfs/dbraw/zinc/64/99/74/1032649974.db2.gz LXRFRDXECDUPIH-HKUYNNGSSA-N 2 0 309.457 3.677 20 0 DHADRP C[C@H](CN1CCC([N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001208894867 1012766094 /nfs/dbraw/zinc/76/60/94/1012766094.db2.gz WTMZVELOGHCJBT-CQSZACIVSA-N 2 0 314.395 3.781 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000516877773 1012853951 /nfs/dbraw/zinc/85/39/51/1012853951.db2.gz LZNDKGGKMJUWMF-NHCUHLMSSA-N 2 0 324.468 3.763 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c2ccccc12 ZINC000425939861 1012981303 /nfs/dbraw/zinc/98/13/03/1012981303.db2.gz FALVZNGQNMMKBZ-LSDHHAIUSA-N 2 0 300.446 3.697 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180094909 1013031478 /nfs/dbraw/zinc/03/14/78/1013031478.db2.gz RGSPZRWFSWLCCM-LPHOPBHVSA-N 2 0 318.530 3.877 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCCOC2)C[C@H](C)N1Cc1ccccc1 ZINC001168063584 1017195325 /nfs/dbraw/zinc/19/53/25/1017195325.db2.gz CTRQEXMTAGDSBY-HNJRGHQBSA-N 2 0 316.489 3.539 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000076004363 1017359546 /nfs/dbraw/zinc/35/95/46/1017359546.db2.gz HRWBSCJWGVXEKN-HNNXBMFYSA-N 2 0 315.436 3.538 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000716329566 1032696107 /nfs/dbraw/zinc/69/61/07/1032696107.db2.gz RCZWZOHVTMHXSX-MELADBBJSA-N 2 0 313.272 3.514 20 0 DHADRP Cc1ccncc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716653772 1032698137 /nfs/dbraw/zinc/69/81/37/1032698137.db2.gz BZUSZVJXZFGBAK-JBACZVJFSA-N 2 0 321.468 3.533 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000925152348 1017448208 /nfs/dbraw/zinc/44/82/08/1017448208.db2.gz RZXVHGQBMPDPRO-UYAOXDASSA-N 2 0 315.505 3.504 20 0 DHADRP CC[C@H](CSC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716684815 1032702738 /nfs/dbraw/zinc/70/27/38/1032702738.db2.gz VVWAIGTVHNHQRK-RDGPPVDQSA-N 2 0 318.530 3.771 20 0 DHADRP Cc1cc(CN2CCC[NH2+]CC2)cc(C)c1-c1ccc(F)cc1 ZINC001204685018 1017494789 /nfs/dbraw/zinc/49/47/89/1017494789.db2.gz RUIOHFDDOSNJCD-UHFFFAOYSA-N 2 0 312.432 3.905 20 0 DHADRP Clc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000623834474 1017529817 /nfs/dbraw/zinc/52/98/17/1017529817.db2.gz ZKYJYZQRNPNIOH-HUUCEWRRSA-N 2 0 317.864 3.580 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623864423 1017538967 /nfs/dbraw/zinc/53/89/67/1017538967.db2.gz OLLMJTPPCGQPHH-OAGGEKHMSA-N 2 0 321.534 3.868 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000623877338 1017548005 /nfs/dbraw/zinc/54/80/05/1017548005.db2.gz ZAOPVIRRDQTWSJ-QFBILLFUSA-N 2 0 304.478 3.574 20 0 DHADRP C[N@@H+]1CC[C@@H](Nc2ccc(CC[NH+]3CCCC3)cc2)CC1(C)C ZINC000623950874 1017593891 /nfs/dbraw/zinc/59/38/91/1017593891.db2.gz SERUPWWDYOXGQK-LJQANCHMSA-N 2 0 315.505 3.610 20 0 DHADRP CCc1ccccc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000444661841 1017609297 /nfs/dbraw/zinc/60/92/97/1017609297.db2.gz BEDNLKXLMXDUDS-FPOVZHCZSA-N 2 0 312.501 3.740 20 0 DHADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000193145561 1017655867 /nfs/dbraw/zinc/65/58/67/1017655867.db2.gz KTSXPVQNCGBNSA-YJBOKZPZSA-N 2 0 301.478 3.712 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc1 ZINC000624112953 1017688858 /nfs/dbraw/zinc/68/88/58/1017688858.db2.gz QQEVVUQTDSIAKB-UHFFFAOYSA-N 2 0 303.494 3.520 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119838 1017693609 /nfs/dbraw/zinc/69/36/09/1017693609.db2.gz KSBCMGNVRQPEKQ-SJORKVTESA-N 2 0 304.478 3.856 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624123710 1017694294 /nfs/dbraw/zinc/69/42/94/1017694294.db2.gz RIQNIYODWGXEAX-LNKGRISISA-N 2 0 316.489 3.509 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C(C)C)cc1 ZINC000624122714 1017695451 /nfs/dbraw/zinc/69/54/51/1017695451.db2.gz ZKAXYJLGMCPRKX-VQIMIIECSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000624123488 1017697098 /nfs/dbraw/zinc/69/70/98/1017697098.db2.gz MZFDEAQLUNZVBT-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000624145910 1017708946 /nfs/dbraw/zinc/70/89/46/1017708946.db2.gz LOPSRRBCHPQBDK-KESTWPANSA-N 2 0 322.537 3.824 20 0 DHADRP C/C(=C\c1ccccc1)C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237667136 1017713338 /nfs/dbraw/zinc/71/33/38/1017713338.db2.gz UORHHANKWSGQFX-VPVZTASZSA-N 2 0 316.489 3.569 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC000181382098 1017745009 /nfs/dbraw/zinc/74/50/09/1017745009.db2.gz PMNJIJTVMPBLEY-QUCCMNQESA-N 2 0 318.505 3.530 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000181513331 1017759068 /nfs/dbraw/zinc/75/90/68/1017759068.db2.gz WKVHZFLMDANNAX-APAFKAMOSA-N 2 0 322.537 3.538 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181866732 1017823816 /nfs/dbraw/zinc/82/38/16/1017823816.db2.gz MKQPOYFYWVIHRO-OTWHNJEPSA-N 2 0 322.537 3.538 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC001167646997 1017940003 /nfs/dbraw/zinc/94/00/03/1017940003.db2.gz JLBSEVNVAKHHTP-PMACEKPBSA-N 2 0 300.490 3.801 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000122842716 1018024567 /nfs/dbraw/zinc/02/45/67/1018024567.db2.gz SSGJRHKZQNUFCS-MRXNPFEDSA-N 2 0 316.489 3.710 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccn(C)c3)cc2)CC1 ZINC000123039998 1018036763 /nfs/dbraw/zinc/03/67/63/1018036763.db2.gz LGSTZIVQKZUHFL-UHFFFAOYSA-N 2 0 311.473 3.547 20 0 DHADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658076556 1018037310 /nfs/dbraw/zinc/03/73/10/1018037310.db2.gz KYQQXLKDYZIHKR-SFHVURJKSA-N 2 0 304.453 3.611 20 0 DHADRP C[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000123359341 1018068041 /nfs/dbraw/zinc/06/80/41/1018068041.db2.gz SYMIGOFRGBICLM-YOEHRIQHSA-N 2 0 315.486 3.552 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000123668021 1018100922 /nfs/dbraw/zinc/10/09/22/1018100922.db2.gz RLWUZUBJUKVTDW-UHFFFAOYSA-N 2 0 323.484 3.507 20 0 DHADRP Cc1cccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185734219 1018129034 /nfs/dbraw/zinc/12/90/34/1018129034.db2.gz VGBMMFBUQIXVEZ-ROUUACIJSA-N 2 0 316.489 3.616 20 0 DHADRP C[C@H]([NH2+]CCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123921377 1018136492 /nfs/dbraw/zinc/13/64/92/1018136492.db2.gz SGCLLDOPWIHOLS-DOTOQJQBSA-N 2 0 304.453 3.611 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCOC(C)(C)C)C2)CC1 ZINC000674909092 1018189622 /nfs/dbraw/zinc/18/96/22/1018189622.db2.gz XLGBASUOPFZNFT-SFHVURJKSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CC[N@@H+]1C ZINC000525195263 1018200181 /nfs/dbraw/zinc/20/01/81/1018200181.db2.gz AGFPRBQFJOKLEW-WBVHZDCISA-N 2 0 302.462 3.580 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000380913139 1018210681 /nfs/dbraw/zinc/21/06/81/1018210681.db2.gz OHDPIZGKHNCUAS-LFGUQSLTSA-N 2 0 300.490 3.923 20 0 DHADRP COc1ccc([C@@H](NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000194989244 1018221358 /nfs/dbraw/zinc/22/13/58/1018221358.db2.gz RFNNGCVSCOUBTD-UWJYYQICSA-N 2 0 324.468 3.716 20 0 DHADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCCC1 ZINC000446755226 1018235915 /nfs/dbraw/zinc/23/59/15/1018235915.db2.gz ZCFOJZWAFLWWBK-LMMKCTJWSA-N 2 0 310.526 3.539 20 0 DHADRP CCC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884219 1018287350 /nfs/dbraw/zinc/28/73/50/1018287350.db2.gz NAIXMZAUCSIKJE-IBGZPJMESA-N 2 0 300.490 3.862 20 0 DHADRP Clc1ccc(Cl)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446887358 1018288826 /nfs/dbraw/zinc/28/88/26/1018288826.db2.gz RNGYLQIMLBMFJG-UHFFFAOYSA-N 2 0 313.272 3.957 20 0 DHADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000282524442 1018367027 /nfs/dbraw/zinc/36/70/27/1018367027.db2.gz ZXDSOJCCQRNFLX-MRXNPFEDSA-N 2 0 323.484 3.632 20 0 DHADRP C[NH+](C)[C@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447325073 1018373565 /nfs/dbraw/zinc/37/35/65/1018373565.db2.gz OOZJAOWZHSMPQP-INIZCTEOSA-N 2 0 315.288 3.952 20 0 DHADRP CC[NH+](CC)CCCN[C@@H]1CCCSc2ccc(OC)cc21 ZINC000525857907 1018394363 /nfs/dbraw/zinc/39/43/63/1018394363.db2.gz BLRVNZZJFQMXSR-QGZVFWFLSA-N 2 0 322.518 3.944 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172873214 1033445882 /nfs/dbraw/zinc/44/58/82/1033445882.db2.gz ROWIXRNIRQCYEV-ZDUSSCGKSA-N 2 0 300.849 3.684 20 0 DHADRP c1cc2cccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000383427446 1018402371 /nfs/dbraw/zinc/40/23/71/1018402371.db2.gz CMZMUNXTLGPEEZ-GOSISDBHSA-N 2 0 319.452 3.780 20 0 DHADRP CC[NH+](CC)CCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000558740834 1018460841 /nfs/dbraw/zinc/46/08/41/1018460841.db2.gz RFNGFMWWUQXSNG-AWEZNQCLSA-N 2 0 306.416 3.773 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000447733964 1018466887 /nfs/dbraw/zinc/46/68/87/1018466887.db2.gz RNKLXCYRZBNIHF-UYAOXDASSA-N 2 0 318.505 3.613 20 0 DHADRP C[C@H]([NH2+]CCCc1ccco1)c1cccc(OCC[NH+](C)C)c1 ZINC000658328733 1018483021 /nfs/dbraw/zinc/48/30/21/1018483021.db2.gz YZEJLFMEHSSTSV-INIZCTEOSA-N 2 0 316.445 3.503 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000635006542 1018509474 /nfs/dbraw/zinc/50/94/74/1018509474.db2.gz CCSXQRNUKAELMU-HXUWFJFHSA-N 2 0 310.416 3.639 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000650712857 1018545729 /nfs/dbraw/zinc/54/57/29/1018545729.db2.gz XULMSJRFHBLXTR-UHFFFAOYSA-N 2 0 322.880 3.880 20 0 DHADRP Cc1cccc(CC[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650717824 1018562360 /nfs/dbraw/zinc/56/23/60/1018562360.db2.gz ODDFURBLQJRPFC-HNNXBMFYSA-N 2 0 300.421 3.704 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1F ZINC000650720009 1018568327 /nfs/dbraw/zinc/56/83/27/1018568327.db2.gz BYSJSWRURXCSPE-HNNXBMFYSA-N 2 0 300.421 3.656 20 0 DHADRP CC(C)CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000675739997 1018569126 /nfs/dbraw/zinc/56/91/26/1018569126.db2.gz ZPYPLADCRRJFOL-IEBWSBKVSA-N 2 0 323.569 3.595 20 0 DHADRP CCSc1cccc(C[NH2+]Cc2ccccc2C[NH2+]C)c1 ZINC000650720181 1018570657 /nfs/dbraw/zinc/57/06/57/1018570657.db2.gz HLJGBNPAYIJCDJ-UHFFFAOYSA-N 2 0 300.471 3.808 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722665 1018575100 /nfs/dbraw/zinc/57/51/00/1018575100.db2.gz YTPVBCYMDURRSJ-ZCNNSNEGSA-N 2 0 316.489 3.671 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000675745203 1018576661 /nfs/dbraw/zinc/57/66/61/1018576661.db2.gz HCOZTBMKDWNOPL-MRXNPFEDSA-N 2 0 302.506 3.847 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CCC3(C[NH3+])CC3)oc21 ZINC000650745462 1018640344 /nfs/dbraw/zinc/64/03/44/1018640344.db2.gz HHVBLLSTABJGTG-ZDUSSCGKSA-N 2 0 302.418 3.611 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1C ZINC000278396451 1018652481 /nfs/dbraw/zinc/65/24/81/1018652481.db2.gz GHKVOVNOAKVTQM-HNNXBMFYSA-N 2 0 302.462 3.529 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650752220 1018666094 /nfs/dbraw/zinc/66/60/94/1018666094.db2.gz MDQIIPDRDHVEDC-AWEZNQCLSA-N 2 0 316.420 3.924 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(OC(F)F)c1 ZINC000650751827 1018668972 /nfs/dbraw/zinc/66/89/72/1018668972.db2.gz CAXRUJWEYTVLEI-LLVKDONJSA-N 2 0 324.346 3.737 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCC(F)(F)CC1 ZINC000650754789 1018679057 /nfs/dbraw/zinc/67/90/57/1018679057.db2.gz QVIPIFKKIXJKGK-LLVKDONJSA-N 2 0 300.368 3.588 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc2c(s1)CCC2 ZINC000650754651 1018679678 /nfs/dbraw/zinc/67/96/78/1018679678.db2.gz NUJWDTQFFCLARU-NSHDSACASA-N 2 0 304.434 3.685 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)c2ccccc21 ZINC000650760048 1018704193 /nfs/dbraw/zinc/70/41/93/1018704193.db2.gz VXNYJVGISWBEOG-ZTNFWEORSA-N 2 0 307.441 3.538 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CCC3CC[NH2+]CC3)ccc2c1 ZINC000650763684 1018711270 /nfs/dbraw/zinc/71/12/70/1018711270.db2.gz GZMDEBXRZDYUDZ-HNNXBMFYSA-N 2 0 312.457 3.889 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH3+])(c3ccccc3)CC1)C2 ZINC001171559319 1032780164 /nfs/dbraw/zinc/78/01/64/1032780164.db2.gz ZYHSGBQZXBPKKI-FQEVSTJZSA-N 2 0 320.480 3.802 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000765246517 1018728058 /nfs/dbraw/zinc/72/80/58/1018728058.db2.gz UIYNTBHQXJCERU-OCCSQVGLSA-N 2 0 324.456 3.872 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])C2 ZINC001171561630 1032782996 /nfs/dbraw/zinc/78/29/96/1032782996.db2.gz ZXUGZGTZXFUTPX-QAPCUYQASA-N 2 0 302.506 3.843 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000314493088 1018731403 /nfs/dbraw/zinc/73/14/03/1018731403.db2.gz BLMCGYWLIMUEQF-GDBMZVCRSA-N 2 0 312.379 3.669 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278486592 1018737836 /nfs/dbraw/zinc/73/78/36/1018737836.db2.gz PEKUGJGFNXJPRP-OAHLLOKOSA-N 2 0 304.453 3.611 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278492002 1018746119 /nfs/dbraw/zinc/74/61/19/1018746119.db2.gz PSRULDRNCVETRR-JKSUJKDBSA-N 2 0 316.489 3.651 20 0 DHADRP CC[N@H+](C[C@H]1CCSC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278523511 1018779985 /nfs/dbraw/zinc/77/99/85/1018779985.db2.gz YMGHDTAXHOXQTG-RTBURBONSA-N 2 0 318.530 3.584 20 0 DHADRP Cc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc2cccnc12 ZINC000657812426 1018789835 /nfs/dbraw/zinc/78/98/35/1018789835.db2.gz BIFZNUAAQQOSJP-UHFFFAOYSA-N 2 0 323.484 3.755 20 0 DHADRP CC(C)Cc1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657813761 1018813004 /nfs/dbraw/zinc/81/30/04/1018813004.db2.gz ZLAPNHOXTHEVNP-UHFFFAOYSA-N 2 0 321.534 3.553 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2sccc2Oc2ccccc2)CC1 ZINC001205040166 1018814097 /nfs/dbraw/zinc/81/40/97/1018814097.db2.gz BMIKDXMHELSRMF-UHFFFAOYSA-N 2 0 302.443 3.711 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000158597874 1018862376 /nfs/dbraw/zinc/86/23/76/1018862376.db2.gz UBYVSBPDCODMKI-BZSNNMDCSA-N 2 0 320.525 3.873 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)CC1 ZINC000584021305 1018865101 /nfs/dbraw/zinc/86/51/01/1018865101.db2.gz OQVXYDBGBBNXMM-KVLZDYKBSA-N 2 0 302.437 3.503 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000133145780 1018885785 /nfs/dbraw/zinc/88/57/85/1018885785.db2.gz YICWZMHQEYDVGQ-JTDSTZFVSA-N 2 0 322.468 3.613 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000151543318 1018899385 /nfs/dbraw/zinc/89/93/85/1018899385.db2.gz OCEVEMLAOGGFRG-ZETOZRRWSA-N 2 0 301.261 3.812 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]2c2cccnc2)CC1(C)C ZINC001171628730 1032793536 /nfs/dbraw/zinc/79/35/36/1032793536.db2.gz IHAZOBHLPVVDNY-KRWDZBQOSA-N 2 0 301.478 3.870 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630265 1032794184 /nfs/dbraw/zinc/79/41/84/1032794184.db2.gz KEHBEVWWABYAHO-UHFFFAOYSA-N 2 0 317.521 3.909 20 0 DHADRP CC(C)CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000584080625 1018930818 /nfs/dbraw/zinc/93/08/18/1018930818.db2.gz KUTYOYQDHNVAHL-XLIONFOSSA-N 2 0 318.505 3.884 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)C2(OC)CCC2)cc1 ZINC000657827126 1018938384 /nfs/dbraw/zinc/93/83/84/1018938384.db2.gz LXMWILWSXDWCNH-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2cc(F)ccc2[nH+]1 ZINC000338740444 1018941111 /nfs/dbraw/zinc/94/11/11/1018941111.db2.gz BBWDYCUXYKZIBU-IBGZPJMESA-N 2 0 313.420 3.604 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000080650240 1018941488 /nfs/dbraw/zinc/94/14/88/1018941488.db2.gz PSOUAVYJKAUVTH-UHFFFAOYSA-N 2 0 324.896 3.663 20 0 DHADRP CC[NH+](CC)Cc1cncc(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001168547437 1018983518 /nfs/dbraw/zinc/98/35/18/1018983518.db2.gz CPNQGJBPTNECDS-QGZVFWFLSA-N 2 0 324.472 3.508 20 0 DHADRP Cc1noc(C)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159021950 1018984037 /nfs/dbraw/zinc/98/40/37/1018984037.db2.gz XDIBTIZZNCHSRQ-OAHLLOKOSA-N 2 0 319.493 3.768 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623384944 1019010631 /nfs/dbraw/zinc/01/06/31/1019010631.db2.gz SOEKFRKMOYIMRA-WBVHZDCISA-N 2 0 304.478 3.999 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657834156 1019014952 /nfs/dbraw/zinc/01/49/52/1019014952.db2.gz JPSKMOAYHCKLHG-RDJZCZTQSA-N 2 0 306.881 3.735 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCOc2ccccc2Cl)CC1(C)C ZINC001171619367 1032802300 /nfs/dbraw/zinc/80/23/00/1032802300.db2.gz LQJQENUYNPDBGB-UHFFFAOYSA-N 2 0 324.896 3.960 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995306 1032807220 /nfs/dbraw/zinc/80/72/20/1032807220.db2.gz JXSVJMBSFHPUIA-FGTMMUONSA-N 2 0 302.437 3.726 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619549 1032802951 /nfs/dbraw/zinc/80/29/51/1032802951.db2.gz ORBZGYBOVAEXTQ-IAGOWNOFSA-N 2 0 323.569 3.595 20 0 DHADRP C[C@@H](c1ccccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584232561 1019036726 /nfs/dbraw/zinc/03/67/26/1019036726.db2.gz ZJNVRNYOQCICEJ-BBRMVZONSA-N 2 0 323.278 3.586 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000387118099 1019045082 /nfs/dbraw/zinc/04/50/82/1019045082.db2.gz GOZBQRLSYLFJKQ-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP CCOc1ccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619320 1032803980 /nfs/dbraw/zinc/80/39/80/1032803980.db2.gz JXMPIKQLRVZFNW-UHFFFAOYSA-N 2 0 318.505 3.869 20 0 DHADRP Cc1ccc(CCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001171623235 1032807103 /nfs/dbraw/zinc/80/71/03/1032807103.db2.gz PTUPPFKAXZZTGC-UHFFFAOYSA-N 2 0 303.494 3.564 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000387283393 1019071007 /nfs/dbraw/zinc/07/10/07/1019071007.db2.gz GOOUUVITBVCLOV-UHFFFAOYSA-N 2 0 320.449 3.945 20 0 DHADRP C[NH+]1C(C)(C)CC(NC2CC[NH+](C3CCCC3)CC2)CC1(C)C ZINC001171625766 1032805601 /nfs/dbraw/zinc/80/56/01/1032805601.db2.gz NIFNEUDNDNUBMS-UHFFFAOYSA-N 2 0 321.553 3.634 20 0 DHADRP Cc1ccncc1CCC[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000347914344 1019075493 /nfs/dbraw/zinc/07/54/93/1019075493.db2.gz BPQSDEGSRPPRNB-UHFFFAOYSA-N 2 0 303.494 3.567 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H](c2ccncc2)C2CC2)CC1(C)C ZINC001171624836 1032807047 /nfs/dbraw/zinc/80/70/47/1032807047.db2.gz ZIVBRSFWUQIOFA-QGZVFWFLSA-N 2 0 301.478 3.774 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000278725619 1019094344 /nfs/dbraw/zinc/09/43/44/1019094344.db2.gz MLTFHWWXFXQSFF-HNNXBMFYSA-N 2 0 313.445 3.859 20 0 DHADRP Cc1sccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708514927 1019099624 /nfs/dbraw/zinc/09/96/24/1019099624.db2.gz WBNJJURGLVUQOR-DNVCBOLYSA-N 2 0 314.498 3.914 20 0 DHADRP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2ncccc12 ZINC000666996842 1032808253 /nfs/dbraw/zinc/80/82/53/1032808253.db2.gz IHXOLBUBABLKMC-CQSZACIVSA-N 2 0 315.848 3.653 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995307 1032808294 /nfs/dbraw/zinc/80/82/94/1032808294.db2.gz JXSVJMBSFHPUIA-OKZBNKHCSA-N 2 0 302.437 3.726 20 0 DHADRP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)c1cccc(O)c1 ZINC000923305863 1019121201 /nfs/dbraw/zinc/12/12/01/1019121201.db2.gz GQXRBNARHMTOKY-DUZACMNTSA-N 2 0 302.462 3.696 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC000666996904 1032809372 /nfs/dbraw/zinc/80/93/72/1032809372.db2.gz LCSCAWFGSHGRGY-CQSZACIVSA-N 2 0 323.278 3.522 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C[C@@](C)(C[NH3+])C1 ZINC001168696016 1019134822 /nfs/dbraw/zinc/13/48/22/1019134822.db2.gz DSHRUIOJUZGZTO-ZRGWGRIASA-N 2 0 320.908 3.941 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C[C@@H]2CCc3ccccc32)CC1(C)C ZINC001171627548 1032809888 /nfs/dbraw/zinc/80/98/88/1032809888.db2.gz WEGQZNCTKVOGMX-INIZCTEOSA-N 2 0 300.490 3.957 20 0 DHADRP C[NH+]1C(C)(C)CC(N(C(N)=[NH2+])c2ccc(Cl)cc2)CC1(C)C ZINC001171626793 1032810212 /nfs/dbraw/zinc/81/02/12/1032810212.db2.gz BHXDXMNPIAOCTI-UHFFFAOYSA-N 2 0 322.884 3.691 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923452999 1019212124 /nfs/dbraw/zinc/21/21/24/1019212124.db2.gz VDKSNUWAMCRJCR-LPHOPBHVSA-N 2 0 316.489 3.701 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998491 1032814856 /nfs/dbraw/zinc/81/48/56/1032814856.db2.gz WTLQRLYBDKAGFD-SFHVURJKSA-N 2 0 316.489 3.876 20 0 DHADRP c1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(OC2CCCC2)c1 ZINC000666998294 1032815676 /nfs/dbraw/zinc/81/56/76/1032815676.db2.gz MMPFBWZDRDDAAD-QGZVFWFLSA-N 2 0 314.473 3.772 20 0 DHADRP [NH3+]CC[C@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000923481507 1019232242 /nfs/dbraw/zinc/23/22/42/1019232242.db2.gz QTQKQLUBIHGJLP-LBPRGKRZSA-N 2 0 321.877 3.634 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171662979 1032817930 /nfs/dbraw/zinc/81/79/30/1032817930.db2.gz GRQLPKYTWYLMTJ-SFHVURJKSA-N 2 0 323.484 3.970 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000672614624 1019317551 /nfs/dbraw/zinc/31/75/51/1019317551.db2.gz ZRASPXLMHKCFOC-BHIYHBOVSA-N 2 0 316.489 3.794 20 0 DHADRP CC(C)c1ccc(O[C@@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000672614630 1019317929 /nfs/dbraw/zinc/31/79/29/1019317929.db2.gz ZTCLDPHVERLKDE-DLBZAZTESA-N 2 0 318.505 3.897 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)c1 ZINC000161585021 1019388962 /nfs/dbraw/zinc/38/89/62/1019388962.db2.gz SLMUPFYQQTXHNN-UHFFFAOYSA-N 2 0 324.468 3.752 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001172875858 1033449957 /nfs/dbraw/zinc/44/99/57/1033449957.db2.gz RYXNEYLIUZBKMK-KGLIPLIRSA-N 2 0 312.910 3.752 20 0 DHADRP CSCc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000922070764 1019399895 /nfs/dbraw/zinc/39/98/95/1019399895.db2.gz YKMFSXIVTIIKDH-UHFFFAOYSA-N 2 0 304.503 3.514 20 0 DHADRP O[C@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090545483 1019408271 /nfs/dbraw/zinc/40/82/71/1019408271.db2.gz BJIFTCMWNIDJMQ-XLIONFOSSA-N 2 0 322.537 3.704 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)cn1 ZINC000090775365 1019416341 /nfs/dbraw/zinc/41/63/41/1019416341.db2.gz ZGZHAFSSDNGVFC-ZLPCBKJTSA-N 2 0 319.468 3.914 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCCOc2ccc(C)cc2)CC1 ZINC000161519103 1019424913 /nfs/dbraw/zinc/42/49/13/1019424913.db2.gz XILRERBNAANICQ-UHFFFAOYSA-N 2 0 304.478 3.618 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001171681674 1032831380 /nfs/dbraw/zinc/83/13/80/1032831380.db2.gz LDVPNWLSGBRMMD-LJQANCHMSA-N 2 0 323.484 3.842 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccnc2)C(C)C)C1 ZINC000091400702 1019464723 /nfs/dbraw/zinc/46/47/23/1019464723.db2.gz OZGSSQMRFGDRQU-PKOBYXMFSA-N 2 0 303.494 3.736 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161618563 1019469470 /nfs/dbraw/zinc/46/94/70/1019469470.db2.gz ZFELQRUVXSKXQX-OTWHNJEPSA-N 2 0 304.453 3.609 20 0 DHADRP C[NH+]1C(C)(C)CC([NH+]2CCC(c3cccnc3)CC2)CC1(C)C ZINC001171641406 1032837552 /nfs/dbraw/zinc/83/75/52/1032837552.db2.gz GKIKVEAEZWCYCH-UHFFFAOYSA-N 2 0 315.505 3.912 20 0 DHADRP FC(F)n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000858295124 1032835610 /nfs/dbraw/zinc/83/56/10/1032835610.db2.gz WCVWNHNMRDAQLW-LSDHHAIUSA-N 2 0 319.399 3.753 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@H](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000161820212 1019523869 /nfs/dbraw/zinc/52/38/69/1019523869.db2.gz RDUGAGPZZHBZOX-OAHLLOKOSA-N 2 0 313.489 3.593 20 0 DHADRP COc1cccc(C[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171636976 1032837056 /nfs/dbraw/zinc/83/70/56/1032837056.db2.gz LBNDMGLYCYTOJW-UHFFFAOYSA-N 2 0 304.478 3.778 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cn2)c1 ZINC000092746255 1019543891 /nfs/dbraw/zinc/54/38/91/1019543891.db2.gz XRPVPRJNUXCXOR-CQSZACIVSA-N 2 0 301.409 3.523 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000163301832 1019570824 /nfs/dbraw/zinc/57/08/24/1019570824.db2.gz GEAOQMOTPMRRMQ-SWLSCSKDSA-N 2 0 310.894 3.808 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000681662810 1019587305 /nfs/dbraw/zinc/58/73/05/1019587305.db2.gz JKGOVKKZKNGIPX-INIZCTEOSA-N 2 0 318.509 3.598 20 0 DHADRP [NH2+]=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1 ZINC000057887354 1019598178 /nfs/dbraw/zinc/59/81/78/1019598178.db2.gz KNOFVKNYUCSPQC-UHFFFAOYSA-N 2 0 322.456 3.809 20 0 DHADRP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000058061143 1019605296 /nfs/dbraw/zinc/60/52/96/1019605296.db2.gz HTSYJUIWELNDLA-HNNXBMFYSA-N 2 0 300.446 3.815 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001168705047 1019626730 /nfs/dbraw/zinc/62/67/30/1019626730.db2.gz QQRSVWKUWPHTGB-INIZCTEOSA-N 2 0 318.892 3.804 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)[C@@H](C)C1 ZINC000624331439 1019627691 /nfs/dbraw/zinc/62/76/91/1019627691.db2.gz AAOYEFOWOABYKP-GUYCJALGSA-N 2 0 319.880 3.684 20 0 DHADRP C[C@H](C[NH2+][C@H]1Cc2cccc(Cl)c2C1)CC(C)(C)CC[NH3+] ZINC001168705611 1019641731 /nfs/dbraw/zinc/64/17/31/1019641731.db2.gz VSXQYCKEMAOMKR-ZFWWWQNUSA-N 2 0 308.897 3.798 20 0 DHADRP C[C@@H]1C[C@@H](n2cc(C[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171727797 1032846569 /nfs/dbraw/zinc/84/65/69/1032846569.db2.gz YJNZPCJDHHCNRS-VQIMIIECSA-N 2 0 319.452 3.936 20 0 DHADRP C[C@H]1C[C@@H](n2ccc3cc(C[NH3+])ccc32)C[N@@H+]1Cc1ccccc1 ZINC001171726865 1032846748 /nfs/dbraw/zinc/84/67/48/1032846748.db2.gz LDANOJZPGXLLOE-OXJNMPFZSA-N 2 0 319.452 3.936 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000727465842 1019717167 /nfs/dbraw/zinc/71/71/67/1019717167.db2.gz LZBUDYYAVNYWFA-QGZVFWFLSA-N 2 0 311.473 3.837 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685421361 1019806100 /nfs/dbraw/zinc/80/61/00/1019806100.db2.gz VPQAZQPPUMLNGZ-UONOGXRCSA-N 2 0 314.395 3.740 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000685455246 1019838237 /nfs/dbraw/zinc/83/82/37/1019838237.db2.gz UJEFLWPWJJYJRU-AQNXPRMDSA-N 2 0 300.490 3.718 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CCCCCOc2ccccc2)C1 ZINC000685470739 1019854849 /nfs/dbraw/zinc/85/48/49/1019854849.db2.gz NOGXEVKXRDNRGT-QUCCMNQESA-N 2 0 316.489 3.652 20 0 DHADRP CC(C)CCCC[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000892396567 1019881293 /nfs/dbraw/zinc/88/12/93/1019881293.db2.gz CZQOKVAVWDOWSC-UHFFFAOYSA-N 2 0 318.505 3.559 20 0 DHADRP C[C@H](CC[NH2+]C1CC(CF)(CF)C1)[N@H+](C)Cc1ccccc1 ZINC000657899881 1019900256 /nfs/dbraw/zinc/90/02/56/1019900256.db2.gz MKUBFDWIHZIQIQ-OAHLLOKOSA-N 2 0 310.432 3.574 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)oc1C ZINC000282343295 1019915067 /nfs/dbraw/zinc/91/50/67/1019915067.db2.gz VJALHLRPDGORIJ-OAHLLOKOSA-N 2 0 316.445 3.688 20 0 DHADRP Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)o1 ZINC000685571449 1019956552 /nfs/dbraw/zinc/95/65/52/1019956552.db2.gz UEQJZHFKFBDNGA-GFCCVEGCSA-N 2 0 310.401 3.636 20 0 DHADRP CC(C)[NH2+][C@@H]1CCCN(CCn2ccc3cc(Cl)ccc32)C1 ZINC000685568167 1019957299 /nfs/dbraw/zinc/95/72/99/1019957299.db2.gz HICQBXSTZBMJHJ-QGZVFWFLSA-N 2 0 319.880 3.757 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)[C@@H]2CCC[C@@H]21 ZINC000671756158 1019967487 /nfs/dbraw/zinc/96/74/87/1019967487.db2.gz WNUSMEAKPNSDDO-FHWLQOOXSA-N 2 0 316.489 3.826 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C3CC(CF)(CF)C3)CC2)CC1 ZINC000657933077 1020007136 /nfs/dbraw/zinc/00/71/36/1020007136.db2.gz OZOLGYKVAMSUBB-UHFFFAOYSA-N 2 0 314.464 3.707 20 0 DHADRP Cc1ccc([C@H](C)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000628231958 1020007762 /nfs/dbraw/zinc/00/77/62/1020007762.db2.gz HOSQDNHMBYLLCT-GOSISDBHSA-N 2 0 323.484 4.000 20 0 DHADRP CCC[C@H](C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000858381437 1032870227 /nfs/dbraw/zinc/87/02/27/1032870227.db2.gz PZFASINPWJUAGS-ZULIPRJHSA-N 2 0 324.553 3.949 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)C[NH+](C)C ZINC000309746067 1020063784 /nfs/dbraw/zinc/06/37/84/1020063784.db2.gz XQZXBPXZLJXYNI-KRWDZBQOSA-N 2 0 312.457 3.553 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C(F)F ZINC000657998026 1020079126 /nfs/dbraw/zinc/07/91/26/1020079126.db2.gz IEFZYOFWGUUZAF-HOCLYGCPSA-N 2 0 310.432 3.778 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc2ccncc2s1 ZINC000658039388 1020102831 /nfs/dbraw/zinc/10/28/31/1020102831.db2.gz VRQBMZIORYBHNE-GRTSSRMGSA-N 2 0 303.475 3.820 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000922501794 1020105979 /nfs/dbraw/zinc/10/59/79/1020105979.db2.gz BHJKZLKBBJWMAU-UHFFFAOYSA-N 2 0 313.445 3.715 20 0 DHADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066980 1020127425 /nfs/dbraw/zinc/12/74/25/1020127425.db2.gz IPVBXMZVUKAVAB-APWZRJJASA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1C(C)(C)C1(C)C ZINC000658067110 1020127528 /nfs/dbraw/zinc/12/75/28/1020127528.db2.gz JSSDDROYBPFGQN-OAHLLOKOSA-N 2 0 322.537 3.538 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000658070443 1020129087 /nfs/dbraw/zinc/12/90/87/1020129087.db2.gz OWBGXOJAQGHZPJ-OAHLLOKOSA-N 2 0 322.518 3.598 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731678714 1020139925 /nfs/dbraw/zinc/13/99/25/1020139925.db2.gz OMDPCJFGPRYPOQ-UHFFFAOYSA-N 2 0 316.489 3.612 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC000631055586 1020149286 /nfs/dbraw/zinc/14/92/86/1020149286.db2.gz CWOOHFQHFOEPKL-CQSZACIVSA-N 2 0 314.395 3.611 20 0 DHADRP Cc1ccncc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000658127795 1020174834 /nfs/dbraw/zinc/17/48/34/1020174834.db2.gz WVXIXEBCOPVBOX-PXNSSMCTSA-N 2 0 315.505 3.565 20 0 DHADRP Cc1ccncc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658126243 1020175994 /nfs/dbraw/zinc/17/59/94/1020175994.db2.gz LMMYHOFQQTUFMQ-UZLBHIALSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@H](C[NH2+][C@@H](CCN(C)C)c1cccnc1)c1ccc(F)cc1 ZINC000922627823 1020176329 /nfs/dbraw/zinc/17/63/29/1020176329.db2.gz NMAZZKXWWONOIR-BEFAXECRSA-N 2 0 315.436 3.607 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000658163146 1020197628 /nfs/dbraw/zinc/19/76/28/1020197628.db2.gz ZQEYVIXOOJQHFU-ZQTWVHHBSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)CC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165449 1020199601 /nfs/dbraw/zinc/19/96/01/1020199601.db2.gz FKSDDOUALRYMBQ-KRWDZBQOSA-N 2 0 303.494 3.708 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCOC(C)(C)C)CC2)C1 ZINC000658187593 1020210512 /nfs/dbraw/zinc/21/05/12/1020210512.db2.gz XIHUJDATEJPJPK-SJLPKXTDSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000658184009 1020214811 /nfs/dbraw/zinc/21/48/11/1020214811.db2.gz HAIUSXVXPPTFIZ-AEFFLSMTSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658280992 1020274151 /nfs/dbraw/zinc/27/41/51/1020274151.db2.gz NMNXJMWTSHMEGS-BHYGNILZSA-N 2 0 322.443 3.778 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000922845807 1020304879 /nfs/dbraw/zinc/30/48/79/1020304879.db2.gz UCKAFXIOAILREW-DUXPYHPUSA-N 2 0 320.427 3.975 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000922847563 1020306293 /nfs/dbraw/zinc/30/62/93/1020306293.db2.gz AISGBWFMUYUHDM-UHFFFAOYSA-N 2 0 324.415 3.785 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc2cnccc2o1 ZINC000658353689 1020319667 /nfs/dbraw/zinc/31/96/67/1020319667.db2.gz PWGARVDZTBLNTF-AWEZNQCLSA-N 2 0 313.445 3.600 20 0 DHADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358411 1020321962 /nfs/dbraw/zinc/32/19/62/1020321962.db2.gz UYJALJFMJVKLOD-FQEVSTJZSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC000658357519 1020322366 /nfs/dbraw/zinc/32/23/66/1020322366.db2.gz UBAWOYSBWWIWQV-LJQANCHMSA-N 2 0 319.468 3.629 20 0 DHADRP CC[N@H+](CCC1CCN(c2cc[nH+]c(C)c2)CC1)CC1CC1 ZINC000477721993 1032893193 /nfs/dbraw/zinc/89/31/93/1032893193.db2.gz KEBWNQYVHQGQQC-UHFFFAOYSA-N 2 0 301.478 3.728 20 0 DHADRP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000347941743 1020460254 /nfs/dbraw/zinc/46/02/54/1020460254.db2.gz NCUXOIWXRPJJSR-INIZCTEOSA-N 2 0 318.530 3.904 20 0 DHADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348053709 1020485806 /nfs/dbraw/zinc/48/58/06/1020485806.db2.gz HZNPUMHPNPHLOB-AXVVYFOYSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccccc1C[NH3+] ZINC001171960476 1032929909 /nfs/dbraw/zinc/92/99/09/1032929909.db2.gz ACQUMKNSGOEPFO-CYBMUJFWSA-N 2 0 322.374 3.885 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000738075608 1020858128 /nfs/dbraw/zinc/85/81/28/1020858128.db2.gz GIBUOMNJSIUIIF-UHFFFAOYSA-N 2 0 315.486 3.602 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414085329 1020862567 /nfs/dbraw/zinc/86/25/67/1020862567.db2.gz YFUGKYOWTFWXRT-INIZCTEOSA-N 2 0 304.478 3.919 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCn2cccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171965637 1032936022 /nfs/dbraw/zinc/93/60/22/1032936022.db2.gz IOXAZOVJPAIJBK-LJQANCHMSA-N 2 0 311.473 3.521 20 0 DHADRP C[C@H]([NH3+])c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967299 1032936052 /nfs/dbraw/zinc/93/60/52/1032936052.db2.gz YYRBHWQWHOCQIN-DOTOQJQBSA-N 2 0 312.461 3.519 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000414171322 1020959082 /nfs/dbraw/zinc/95/90/82/1020959082.db2.gz DGXWTPFUKNSUMM-ZIAGYGMSSA-N 2 0 312.404 3.671 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414173933 1020961846 /nfs/dbraw/zinc/96/18/46/1020961846.db2.gz HAWOGNYSESTDPW-AEFFLSMTSA-N 2 0 302.462 3.530 20 0 DHADRP COCCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000414175978 1020964333 /nfs/dbraw/zinc/96/43/33/1020964333.db2.gz HTOWSXXRZYEBKL-QFBILLFUSA-N 2 0 322.468 3.615 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414200105 1020987529 /nfs/dbraw/zinc/98/75/29/1020987529.db2.gz XHFUIMYGBPGFOQ-UYAOXDASSA-N 2 0 318.505 3.549 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)ccc12 ZINC000414200404 1020988037 /nfs/dbraw/zinc/98/80/37/1020988037.db2.gz ZSFDCAKGEJSPPQ-LJQANCHMSA-N 2 0 316.408 3.983 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000414315698 1021086629 /nfs/dbraw/zinc/08/66/29/1021086629.db2.gz SIQPOIXSRURHCR-CKVGWXAMSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414341594 1021110510 /nfs/dbraw/zinc/11/05/10/1021110510.db2.gz IAXFCVORCCIREE-JCHJZTRSSA-N 2 0 310.441 3.636 20 0 DHADRP CCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971375 1032955599 /nfs/dbraw/zinc/95/55/99/1032955599.db2.gz HLJKFLVTKMATFD-IBGZPJMESA-N 2 0 318.505 3.836 20 0 DHADRP CC1([NH3+])CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000647530895 1021124459 /nfs/dbraw/zinc/12/44/59/1021124459.db2.gz NQDYJIGYOYMMGE-UHFFFAOYSA-N 2 0 314.395 3.841 20 0 DHADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000537964265 1032956230 /nfs/dbraw/zinc/95/62/30/1032956230.db2.gz KZTMVMMDAMHWEH-KDOFPFPSSA-N 2 0 322.468 3.754 20 0 DHADRP CCCC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970575 1032957740 /nfs/dbraw/zinc/95/77/40/1032957740.db2.gz DFMPJOQPWCWGRE-RBUKOAKNSA-N 2 0 318.505 3.570 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423264087 1021165602 /nfs/dbraw/zinc/16/56/02/1021165602.db2.gz YAADHRAENPDTIW-SWLSCSKDSA-N 2 0 310.894 3.856 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000423387420 1021193599 /nfs/dbraw/zinc/19/35/99/1021193599.db2.gz MRLFZUCXZKCJBY-CBZIJGRNSA-N 2 0 320.452 3.720 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423388212 1021193718 /nfs/dbraw/zinc/19/37/18/1021193718.db2.gz NHKHLUZRHKUXAL-UBHSHLNASA-N 2 0 314.445 3.964 20 0 DHADRP CC[NH+]1CCC(CC2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC001202356206 1021224426 /nfs/dbraw/zinc/22/44/26/1021224426.db2.gz PTKYVGAIZBHVCT-UHFFFAOYSA-N 2 0 306.416 3.773 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892668582 1021249075 /nfs/dbraw/zinc/24/90/75/1021249075.db2.gz OEFQBMTYWKDKIP-HLIUYOAVSA-N 2 0 308.416 3.532 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000090881659 1021254185 /nfs/dbraw/zinc/25/41/85/1021254185.db2.gz LDBSCEVAOWMTBH-JJRVBVJISA-N 2 0 324.896 3.600 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090881657 1021254476 /nfs/dbraw/zinc/25/44/76/1021254476.db2.gz LDBSCEVAOWMTBH-GRDNDAEWSA-N 2 0 324.896 3.600 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000423493590 1021261629 /nfs/dbraw/zinc/26/16/29/1021261629.db2.gz BXWIFJPBRRQKPX-XFJVYGCCSA-N 2 0 323.278 3.544 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000624119499 1021343254 /nfs/dbraw/zinc/34/32/54/1021343254.db2.gz CZZUDAAWIOUZNS-ZIAGYGMSSA-N 2 0 312.404 3.671 20 0 DHADRP c1cncc([C@H]2CCC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2)c1 ZINC000337408526 1032974528 /nfs/dbraw/zinc/97/45/28/1032974528.db2.gz VOCFWYMGIOFIDX-LPHOPBHVSA-N 2 0 313.489 3.714 20 0 DHADRP OCCCCCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000743840620 1021374931 /nfs/dbraw/zinc/37/49/31/1021374931.db2.gz ONNXSHBSZUDDTF-UHFFFAOYSA-N 2 0 310.526 3.517 20 0 DHADRP Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c2ccccc2[nH+]1 ZINC000613572452 1021413617 /nfs/dbraw/zinc/41/36/17/1021413617.db2.gz ALAJGDCYQGJFFK-FQEVSTJZSA-N 2 0 323.415 3.819 20 0 DHADRP Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000092856919 1021491071 /nfs/dbraw/zinc/49/10/71/1021491071.db2.gz QHICELWEDHKUSE-QGZVFWFLSA-N 2 0 309.457 3.957 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092856906 1021491526 /nfs/dbraw/zinc/49/15/26/1021491526.db2.gz QNEOGZBWYPQUOF-QGZVFWFLSA-N 2 0 309.457 3.957 20 0 DHADRP CC[C@H](C)C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000093066474 1021505373 /nfs/dbraw/zinc/50/53/73/1021505373.db2.gz LNUQRFJBGCMNDP-INIZCTEOSA-N 2 0 304.478 3.543 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000538100084 1032985287 /nfs/dbraw/zinc/98/52/87/1032985287.db2.gz AZEVSZOIEKEPRG-LJQANCHMSA-N 2 0 304.453 3.988 20 0 DHADRP C[C@H](CSCCF)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000850467602 1021552291 /nfs/dbraw/zinc/55/22/91/1021552291.db2.gz XTJBOMRBBOIISN-AEFFLSMTSA-N 2 0 324.509 3.579 20 0 DHADRP [NH3+]Cc1cccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066498 1032988273 /nfs/dbraw/zinc/98/82/73/1032988273.db2.gz YFLZUZOYKYCUIR-OPVJXMOQSA-N 2 0 309.457 3.705 20 0 DHADRP CSCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063480 1032989250 /nfs/dbraw/zinc/98/92/50/1032989250.db2.gz ZROABENUDHUWSQ-NNZMDNLPSA-N 2 0 304.503 3.525 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892741900 1021591602 /nfs/dbraw/zinc/59/16/02/1021591602.db2.gz CYYIOHUOYRLXJZ-HLIUYOAVSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(s1)CCCC2 ZINC000130046402 1021601713 /nfs/dbraw/zinc/60/17/13/1021601713.db2.gz YSYPRUKSPFHPTO-KBPBESRZSA-N 2 0 304.503 3.762 20 0 DHADRP Brc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643058131 1021611005 /nfs/dbraw/zinc/61/10/05/1021611005.db2.gz FQFAMWBWMDBTIQ-BBRMVZONSA-N 2 0 323.278 3.586 20 0 DHADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556259941 1021638837 /nfs/dbraw/zinc/63/88/37/1021638837.db2.gz KARWITLATYGOBL-PXTPFGJHSA-N 2 0 316.464 3.767 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@]12CCCO2)c1cccc(C[NH+](C)C)c1 ZINC000926863151 1021679142 /nfs/dbraw/zinc/67/91/42/1021679142.db2.gz ZODOEWNIVAJCLT-ZYSHUDEJSA-N 2 0 302.462 3.501 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000763433183 1021692928 /nfs/dbraw/zinc/69/29/28/1021692928.db2.gz OFAJNDMGQWLFIN-GOSISDBHSA-N 2 0 322.537 3.658 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000763433185 1021693845 /nfs/dbraw/zinc/69/38/45/1021693845.db2.gz OFAJNDMGQWLFIN-SFHVURJKSA-N 2 0 322.537 3.658 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000564973789 1021703977 /nfs/dbraw/zinc/70/39/77/1021703977.db2.gz ZOLFGUZJXAXNCE-AWEZNQCLSA-N 2 0 307.507 3.752 20 0 DHADRP CO[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000659847623 1021736531 /nfs/dbraw/zinc/73/65/31/1021736531.db2.gz YTFPVBWYGGVBAK-IBGZPJMESA-N 2 0 308.510 3.532 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCSCc1ccc(F)cc1)C2 ZINC001172102693 1033006480 /nfs/dbraw/zinc/00/64/80/1033006480.db2.gz OEQCYNJJXUNGSK-BCDXTJNWSA-N 2 0 322.493 3.664 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172104040 1033006627 /nfs/dbraw/zinc/00/66/27/1033006627.db2.gz ZAASRDXXVAAIJF-NNZMDNLPSA-N 2 0 302.462 3.580 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc3ccccc3c1)C2 ZINC001172105976 1033007422 /nfs/dbraw/zinc/00/74/22/1033007422.db2.gz LTVJVUOCCYOZKC-WKCHPHFGSA-N 2 0 308.469 3.987 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCSCc2ccccc2F)CC1 ZINC000236777335 1021796098 /nfs/dbraw/zinc/79/60/98/1021796098.db2.gz ZOKWUQQTMKGCNA-UHFFFAOYSA-N 2 0 310.482 3.523 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCSCc1ccccc1)C2 ZINC001172106207 1033004238 /nfs/dbraw/zinc/00/42/38/1033004238.db2.gz NLYHHIZQYRPAEZ-NNZMDNLPSA-N 2 0 304.503 3.525 20 0 DHADRP CCC(CC)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109107 1033010790 /nfs/dbraw/zinc/01/07/90/1033010790.db2.gz CFFXWZBDWCSUTL-GBWWWVLNSA-N 3 0 321.553 3.762 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109196 1033011802 /nfs/dbraw/zinc/01/18/02/1033011802.db2.gz HSXHCHUZTUSOKS-ZMMAXQRCSA-N 2 0 313.489 3.610 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000556886492 1021918763 /nfs/dbraw/zinc/91/87/63/1021918763.db2.gz KKXYUPXWAJDKFX-FRFIEDCNSA-N 2 0 302.437 3.534 20 0 DHADRP Cc1cccc(C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)c1 ZINC000556886861 1021921557 /nfs/dbraw/zinc/92/15/57/1021921557.db2.gz PLCKZPHXMZPTEA-MHJFOBGBSA-N 2 0 300.490 3.779 20 0 DHADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000556887278 1021921757 /nfs/dbraw/zinc/92/17/57/1021921757.db2.gz SOHWCDZIABJMJA-GVDBMIGSSA-N 2 0 322.880 3.701 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000893131231 1021970486 /nfs/dbraw/zinc/97/04/86/1021970486.db2.gz BRXHSBMJXSORPS-CQSZACIVSA-N 2 0 320.452 3.607 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000893131229 1021972484 /nfs/dbraw/zinc/97/24/84/1021972484.db2.gz BRXHSBMJXSORPS-AWEZNQCLSA-N 2 0 320.452 3.607 20 0 DHADRP CCCCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000155147597 1021994448 /nfs/dbraw/zinc/99/44/48/1021994448.db2.gz NOSNQRQCIIVTAB-AZUAARDMSA-N 2 0 317.521 3.534 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC000153179328 1021997217 /nfs/dbraw/zinc/99/72/17/1021997217.db2.gz BQOPWQRWQUTKCO-HBFSDRIKSA-N 2 0 318.505 3.783 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000386959134 1022057421 /nfs/dbraw/zinc/05/74/21/1022057421.db2.gz UKQQEOIWFUSYFY-MRXNPFEDSA-N 2 0 303.494 3.671 20 0 DHADRP CO[C@H]1CCC[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172927439 1033471966 /nfs/dbraw/zinc/47/19/66/1033471966.db2.gz FMBXQTDZRQNZMM-VJANTYMQSA-N 2 0 308.510 3.706 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CSc2ccccc2C1 ZINC001172184606 1033029646 /nfs/dbraw/zinc/02/96/46/1033029646.db2.gz NZMSVISMICQHDJ-HNNXBMFYSA-N 2 0 304.503 3.684 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CSc2ccccc2C1 ZINC001172185585 1033029699 /nfs/dbraw/zinc/02/96/99/1033029699.db2.gz SYBYPRXKNYDRED-NVXWUHKLSA-N 2 0 306.519 3.804 20 0 DHADRP CCc1ccccc1CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168838678 1022148388 /nfs/dbraw/zinc/14/83/88/1022148388.db2.gz PPGMVEIRQFPZSF-UHFFFAOYSA-N 2 0 310.485 3.985 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(F)nc2C)cc1 ZINC000785485930 1022149432 /nfs/dbraw/zinc/14/94/32/1022149432.db2.gz NVUWFHLXFRXFIY-CYBMUJFWSA-N 2 0 324.403 3.874 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205993665 1022150114 /nfs/dbraw/zinc/15/01/14/1022150114.db2.gz IFCJDMBZRWHFGF-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000925481484 1022151246 /nfs/dbraw/zinc/15/12/46/1022151246.db2.gz OFJLLRUFECVTIV-QGZVFWFLSA-N 2 0 322.456 3.565 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cncc(F)c1 ZINC000766512747 1022167995 /nfs/dbraw/zinc/16/79/95/1022167995.db2.gz MIEFEQXXQGEJIS-NNGSBXSVSA-N 2 0 305.441 3.668 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000620514578 1022170941 /nfs/dbraw/zinc/17/09/41/1022170941.db2.gz KQJHICBWUVAGEU-MNZLEMJZSA-N 2 0 304.478 3.541 20 0 DHADRP Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc1C ZINC000414166773 1022174398 /nfs/dbraw/zinc/17/43/98/1022174398.db2.gz ODJAGOWNKJEIPG-AZUAARDMSA-N 2 0 309.457 3.624 20 0 DHADRP COc1ccc(Cl)cc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093663 1022217614 /nfs/dbraw/zinc/21/76/14/1022217614.db2.gz PUTPRBYDBNPXEE-HNNXBMFYSA-N 2 0 322.880 3.560 20 0 DHADRP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659943325 1022227283 /nfs/dbraw/zinc/22/72/83/1022227283.db2.gz BGTMEDLTQUZITF-MOPGFXCFSA-N 2 0 308.510 3.532 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001169049441 1022229347 /nfs/dbraw/zinc/22/93/47/1022229347.db2.gz HRZXRUGLGRYWEH-WOJBJXKFSA-N 2 0 302.506 3.965 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C[NH3+])cc3cc(Cl)ccc31)C2 ZINC001169094541 1022244551 /nfs/dbraw/zinc/24/45/51/1022244551.db2.gz MIGYSIQKPQIJTF-FICVDOATSA-N 2 0 303.837 3.551 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(Cl)c(Cl)c1)C2 ZINC001169093209 1022244843 /nfs/dbraw/zinc/24/48/43/1022244843.db2.gz GCCLNJIEYNSBBW-ZSOGYDGISA-N 2 0 313.272 3.751 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1F)C1CCC1)C2 ZINC001169100533 1022246742 /nfs/dbraw/zinc/24/67/42/1022246742.db2.gz KRLZHAYKDWVJJC-GGXPGOJBSA-N 2 0 302.437 3.882 20 0 DHADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CSc2ccccc2C1 ZINC001172202778 1033040908 /nfs/dbraw/zinc/04/09/08/1033040908.db2.gz UCULSLMNIKJJAK-KZNAEPCWSA-N 2 0 318.530 3.931 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccc(Cl)cc3)CC1)C2 ZINC001169098797 1022247440 /nfs/dbraw/zinc/24/74/40/1022247440.db2.gz KXHXGLWQEREGHW-BJWYYQGGSA-N 2 0 304.865 3.586 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169090206 1022255962 /nfs/dbraw/zinc/25/59/62/1022255962.db2.gz IQHVITOFOPIVNT-WVIHRHSHSA-N 2 0 302.506 3.806 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCc4ccccc43)CC1)C2 ZINC001169127913 1022260609 /nfs/dbraw/zinc/26/06/09/1022260609.db2.gz AGFSAZLOBFYVNB-REPLKXPHSA-N 2 0 310.485 3.592 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3c(F)cc(F)cc31)C2 ZINC001169125312 1022261650 /nfs/dbraw/zinc/26/16/50/1022261650.db2.gz YSUGAISKEZYFIX-KYZVSKTDSA-N 2 0 306.400 3.557 20 0 DHADRP CC[C@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153959500 1022264430 /nfs/dbraw/zinc/26/44/30/1022264430.db2.gz RDMRDRHYCSXQLY-HKUYNNGSSA-N 2 0 318.505 3.911 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1C(F)(F)F ZINC001169108048 1022266823 /nfs/dbraw/zinc/26/68/23/1022266823.db2.gz NMAYRKYYJVVPPM-XDQVBPFNSA-N 2 0 312.379 3.981 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142604 1022274891 /nfs/dbraw/zinc/27/48/91/1022274891.db2.gz DKSYJJHFHDMGLH-DOADOZAASA-N 2 0 314.473 3.847 20 0 DHADRP Cc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169143699 1022275819 /nfs/dbraw/zinc/27/58/19/1022275819.db2.gz QESWHKPKGWGMJD-FZKQIMNGSA-N 2 0 300.450 3.827 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1[C@@H]1CCCC[NH2+]1)C2 ZINC001169148465 1022279301 /nfs/dbraw/zinc/27/93/01/1022279301.db2.gz ZLPMFQMFNWCCOB-LHHMISFZSA-N 2 0 324.472 3.649 20 0 DHADRP Cn1ccc2c1[nH+]ccc2N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169151245 1022282747 /nfs/dbraw/zinc/28/27/47/1022282747.db2.gz HKJGEBFAFZKKCT-SCLBCKFNSA-N 2 0 300.450 3.529 20 0 DHADRP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCc2ccc(Cl)cc21 ZINC001169155654 1022284006 /nfs/dbraw/zinc/28/40/06/1022284006.db2.gz UFSPEUVDMDLCOJ-RUGDWHBFSA-N 2 0 318.892 3.927 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]1c1cc(F)cc(F)c1)C2 ZINC001169160574 1022285013 /nfs/dbraw/zinc/28/50/13/1022285013.db2.gz ILFBDVXAROLYIG-VSZNYVQBSA-N 2 0 306.400 3.727 20 0 DHADRP C[C@H]1C[N@H+](Cc2c(Cl)cc(O)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003981 1022298095 /nfs/dbraw/zinc/29/80/95/1022298095.db2.gz OIZKWXWWURAQIO-WDEREUQCSA-N 2 0 317.260 3.506 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000154493270 1022302267 /nfs/dbraw/zinc/30/22/67/1022302267.db2.gz LOBOPQAPPUWLPO-RBUKOAKNSA-N 2 0 323.569 3.599 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(Cc3ccccc3Cl)CC2)CC1 ZINC001169241280 1022322490 /nfs/dbraw/zinc/32/24/90/1022322490.db2.gz RXAXAAZAXMVZJW-UHFFFAOYSA-N 2 0 306.881 3.737 20 0 DHADRP c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)CS2 ZINC001172195734 1033054616 /nfs/dbraw/zinc/05/46/16/1033054616.db2.gz BHRXXNDXSNQOFH-QGZVFWFLSA-N 2 0 316.514 3.558 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172196082 1033054739 /nfs/dbraw/zinc/05/47/39/1033054739.db2.gz DNEZVJIQTSIRIH-ADKAHSJRSA-N 2 0 318.530 3.946 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000651403754 1022432393 /nfs/dbraw/zinc/43/23/93/1022432393.db2.gz XKACTLFXLCEMMV-QEJZJMRPSA-N 2 0 306.416 3.818 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000671099127 1022457358 /nfs/dbraw/zinc/45/73/58/1022457358.db2.gz ZKVHVGKUVQOXIW-IRXDYDNUSA-N 2 0 318.505 3.822 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172196084 1033056830 /nfs/dbraw/zinc/05/68/30/1033056830.db2.gz DNEZVJIQTSIRIH-LXPRWKDFSA-N 2 0 318.530 3.946 20 0 DHADRP C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)C1CC[NH+](C)CC1 ZINC000396457552 1022475235 /nfs/dbraw/zinc/47/52/35/1022475235.db2.gz NYLGZFYORIPGDK-LRDDRELGSA-N 2 0 308.466 3.683 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000396465393 1022480799 /nfs/dbraw/zinc/48/07/99/1022480799.db2.gz SOGJVNZXMCNOJW-LLVKDONJSA-N 2 0 301.261 3.813 20 0 DHADRP C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272175966 1022494280 /nfs/dbraw/zinc/49/42/80/1022494280.db2.gz JBNBCYRTMUIOLI-QAPCUYQASA-N 2 0 300.471 3.748 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)N(C)C ZINC000671108698 1022525596 /nfs/dbraw/zinc/52/55/96/1022525596.db2.gz MNAIDVBMCDQJOQ-GJZGRUSLSA-N 2 0 301.478 3.764 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000157403431 1022546686 /nfs/dbraw/zinc/54/66/86/1022546686.db2.gz CQFLGFZPQYFPLC-MRXNPFEDSA-N 2 0 304.478 3.987 20 0 DHADRP CO[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000671114895 1022573630 /nfs/dbraw/zinc/57/36/30/1022573630.db2.gz KSQDIRZJEZUNMN-SOAGJPPSSA-N 2 0 318.505 3.690 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000132795256 1033065546 /nfs/dbraw/zinc/06/55/46/1033065546.db2.gz WOAVHIZULMGZPI-FXAWDEMLSA-N 2 0 316.489 3.537 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC001172244309 1033067087 /nfs/dbraw/zinc/06/70/87/1033067087.db2.gz OLTBHUIYJWVUIP-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000158184820 1022611052 /nfs/dbraw/zinc/61/10/52/1022611052.db2.gz ASMYDWJIFJTHFH-HSMVNMDESA-N 2 0 315.288 3.854 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000584683950 1022616734 /nfs/dbraw/zinc/61/67/34/1022616734.db2.gz LQSCMHOUPAODGM-DKKFBQAASA-N 2 0 310.526 3.559 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000276683433 1022639210 /nfs/dbraw/zinc/63/92/10/1022639210.db2.gz QXIBAZLNUDYPTO-MAZHCROVSA-N 2 0 312.379 3.983 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)C1CCCCC1 ZINC000159151860 1022695186 /nfs/dbraw/zinc/69/51/86/1022695186.db2.gz MOUHUQXJTGEYLQ-LJQANCHMSA-N 2 0 310.526 3.826 20 0 DHADRP OC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000417366697 1022710235 /nfs/dbraw/zinc/71/02/35/1022710235.db2.gz NMQNPJCNDSGQIR-IBGZPJMESA-N 2 0 322.537 3.704 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCCc1cncn1C ZINC000584788027 1022741690 /nfs/dbraw/zinc/74/16/90/1022741690.db2.gz IOPYSSGZJDIGOG-LJQANCHMSA-N 2 0 317.452 3.691 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cnc1F ZINC000893327129 1022904814 /nfs/dbraw/zinc/90/48/14/1022904814.db2.gz GGVRUXVKSZUHJU-UHFFFAOYSA-N 2 0 315.436 3.659 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000414923622 1022913619 /nfs/dbraw/zinc/91/36/19/1022913619.db2.gz ISSPVCNEACVWSC-JKSUJKDBSA-N 2 0 314.395 3.888 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000163943059 1022933674 /nfs/dbraw/zinc/93/36/74/1022933674.db2.gz RCVVPWLSMJOCBJ-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000294909891 1022988927 /nfs/dbraw/zinc/98/89/27/1022988927.db2.gz ADWXFLIOQGKALK-IEBWSBKVSA-N 2 0 316.489 3.588 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000165618240 1022990849 /nfs/dbraw/zinc/99/08/49/1022990849.db2.gz SMTGUJPFUXTGFF-GOSISDBHSA-N 2 0 304.865 3.791 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000165899047 1022999290 /nfs/dbraw/zinc/99/92/90/1022999290.db2.gz SBGAVTGPESJVOC-HBFSDRIKSA-N 2 0 318.505 3.783 20 0 DHADRP CO[C@@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000859213285 1033099261 /nfs/dbraw/zinc/09/92/61/1033099261.db2.gz UYCYOJPUCNSNFC-FQEVSTJZSA-N 2 0 312.457 3.568 20 0 DHADRP CO[C@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000859213286 1033099921 /nfs/dbraw/zinc/09/99/21/1033099921.db2.gz UYCYOJPUCNSNFC-HXUWFJFHSA-N 2 0 312.457 3.568 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCC2CCOCC2)cc1 ZINC000859211784 1033100038 /nfs/dbraw/zinc/10/00/38/1033100038.db2.gz AEGCDCOOQQZECX-UHFFFAOYSA-N 2 0 318.505 3.777 20 0 DHADRP FC(F)C1CC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000768687870 1023014850 /nfs/dbraw/zinc/01/48/50/1023014850.db2.gz LTADBNQFPRJRNK-UHFFFAOYSA-N 2 0 308.416 3.532 20 0 DHADRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1nc2ccccc2s1 ZINC000649411098 1023030508 /nfs/dbraw/zinc/03/05/08/1023030508.db2.gz QQPZWRJOFKEOTO-UHFFFAOYSA-N 2 0 303.475 3.508 20 0 DHADRP COC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCCC1 ZINC000783248648 1023085010 /nfs/dbraw/zinc/08/50/10/1023085010.db2.gz NUPLYASGDIHVGZ-ACBHZAAOSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678210540 1023097953 /nfs/dbraw/zinc/09/79/53/1023097953.db2.gz NMSHXUCYNBIQIS-SFHVURJKSA-N 2 0 302.462 3.536 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250751393 1023101333 /nfs/dbraw/zinc/10/13/33/1023101333.db2.gz KUKZVBWGQMIMNN-CABCVRRESA-N 2 0 313.272 3.752 20 0 DHADRP Cc1ncc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000195139372 1023214597 /nfs/dbraw/zinc/21/45/97/1023214597.db2.gz RQCLQMHLWFNSJZ-WMLDXEAASA-N 2 0 315.486 3.624 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000769870584 1023234213 /nfs/dbraw/zinc/23/42/13/1023234213.db2.gz ARPYWVKZAGBZPH-CABCVRRESA-N 2 0 307.482 3.851 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001172341094 1033125536 /nfs/dbraw/zinc/12/55/36/1033125536.db2.gz MMZLBPYNBZXWJT-IRXDYDNUSA-N 2 0 310.526 3.634 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000925720793 1023428803 /nfs/dbraw/zinc/42/88/03/1023428803.db2.gz JUQMAZAICMMRGX-ZIAGYGMSSA-N 2 0 301.261 3.640 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172353541 1033136132 /nfs/dbraw/zinc/13/61/32/1033136132.db2.gz NOTQGZXEEMDFIQ-VJANTYMQSA-N 2 0 310.526 3.919 20 0 DHADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCC(C)(C)O3)CCN1C ZINC000538718099 1033143711 /nfs/dbraw/zinc/14/37/11/1033143711.db2.gz USJFQUHEBAPNCE-CRAIPNDOSA-N 2 0 316.489 3.705 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000651865063 1023603955 /nfs/dbraw/zinc/60/39/55/1023603955.db2.gz MNIDNBVHDDLQBN-IEBWSBKVSA-N 2 0 303.494 3.675 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1C ZINC001172368892 1033149055 /nfs/dbraw/zinc/14/90/55/1033149055.db2.gz KJSLEFJQQKNPEZ-LMMKCTJWSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)C[C@H]1C ZINC001172368349 1033149112 /nfs/dbraw/zinc/14/91/12/1033149112.db2.gz OAFHLAZXUWPCOE-MBOZVWFJSA-N 2 0 322.537 3.539 20 0 DHADRP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)CC2)c1 ZINC001172371534 1033151161 /nfs/dbraw/zinc/15/11/61/1033151161.db2.gz UYOFMDWDUYPONU-LZLYRXPVSA-N 2 0 316.489 3.770 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C[C@H]1C ZINC001172371013 1033151714 /nfs/dbraw/zinc/15/17/14/1033151714.db2.gz SLKDBGCBCRQVML-JFIYKMOQSA-N 2 0 318.480 3.986 20 0 DHADRP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)c1 ZINC001172371536 1033152102 /nfs/dbraw/zinc/15/21/02/1033152102.db2.gz UYOFMDWDUYPONU-XYJFISCASA-N 2 0 316.489 3.770 20 0 DHADRP FCC[C@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661688663 1023688198 /nfs/dbraw/zinc/68/81/98/1023688198.db2.gz JRMYNGVEPJJESO-KVHJKKSTSA-N 2 0 314.464 3.686 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccccc2F)CCC1)C1CC[NH+](C)CC1 ZINC000652221137 1023708329 /nfs/dbraw/zinc/70/83/29/1023708329.db2.gz RSEHMRQUILGWOG-OAHLLOKOSA-N 2 0 304.453 3.567 20 0 DHADRP C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000652271239 1023725645 /nfs/dbraw/zinc/72/56/45/1023725645.db2.gz GMGUDPIYPMSOEZ-OAHLLOKOSA-N 2 0 302.462 3.610 20 0 DHADRP Cc1nc(F)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000787193725 1023773153 /nfs/dbraw/zinc/77/31/53/1023773153.db2.gz YVRRFVZFXAEMPF-UHFFFAOYSA-N 2 0 319.468 3.617 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(F)nc2C)CC1 ZINC000787271857 1023781709 /nfs/dbraw/zinc/78/17/09/1023781709.db2.gz OZXSQLAJJKVLMQ-UHFFFAOYSA-N 2 0 321.484 3.863 20 0 DHADRP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001170077154 1023812911 /nfs/dbraw/zinc/81/29/11/1023812911.db2.gz GPKDMVZQCKLTBO-DFQSSKMNSA-N 2 0 315.505 3.660 20 0 DHADRP CC(C)CCC[C@H](C)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001170078443 1023825021 /nfs/dbraw/zinc/82/50/21/1023825021.db2.gz RZFDPDFOBZOOAP-INIZCTEOSA-N 2 0 320.525 3.756 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000788026598 1023840249 /nfs/dbraw/zinc/84/02/49/1023840249.db2.gz YFFYXDLBHPJXEW-PMACEKPBSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172432052 1033166478 /nfs/dbraw/zinc/16/64/78/1033166478.db2.gz VTMGGJHCZDSFPO-QGZVFWFLSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+]1CCC(C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000788482582 1023899934 /nfs/dbraw/zinc/89/99/34/1023899934.db2.gz WZNFDDIOVBHHPK-KRWDZBQOSA-N 2 0 324.921 3.772 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000788622189 1023915142 /nfs/dbraw/zinc/91/51/42/1023915142.db2.gz PUHOENKUGOKOKG-MOPGFXCFSA-N 2 0 318.505 3.597 20 0 DHADRP CC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172394050 1033178174 /nfs/dbraw/zinc/17/81/74/1033178174.db2.gz MYPINIOLGPJSDB-SFHVURJKSA-N 2 0 303.494 3.708 20 0 DHADRP C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccnc(Cl)c1 ZINC000162889401 1024008535 /nfs/dbraw/zinc/00/85/35/1024008535.db2.gz SXHXFFHCISHURJ-CYBMUJFWSA-N 2 0 304.825 3.673 20 0 DHADRP CC[C@H](CC(C)C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001172391056 1033175670 /nfs/dbraw/zinc/17/56/70/1033175670.db2.gz COSQLGNCPHQGBT-LJQANCHMSA-N 2 0 310.526 3.539 20 0 DHADRP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C)c1cccc(O)c1 ZINC000662253367 1024033370 /nfs/dbraw/zinc/03/33/70/1024033370.db2.gz UCNDESUQXWKCPO-HNNXBMFYSA-N 2 0 310.441 3.621 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(OC)cc1 ZINC000662280126 1024056905 /nfs/dbraw/zinc/05/69/05/1024056905.db2.gz CTAVQMZVUAGGBC-FQEVSTJZSA-N 2 0 310.441 3.582 20 0 DHADRP CSc1ccccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294258 1024078988 /nfs/dbraw/zinc/07/89/88/1024078988.db2.gz QNHPFDSYWFBCRK-MRXNPFEDSA-N 2 0 304.503 3.620 20 0 DHADRP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298414 1024080582 /nfs/dbraw/zinc/08/05/82/1024080582.db2.gz WAMSEBTVXZCNJB-ZFWWWQNUSA-N 2 0 308.416 3.737 20 0 DHADRP c1ccc2c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccnc2c1 ZINC000538798182 1033182446 /nfs/dbraw/zinc/18/24/46/1033182446.db2.gz QZXXDDKZQRGMGA-UTKZUKDTSA-N 2 0 321.468 3.684 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1CCC[NH3+] ZINC000662314785 1024102147 /nfs/dbraw/zinc/10/21/47/1024102147.db2.gz FMFWNVUVPDVXAA-ZIAGYGMSSA-N 2 0 309.523 3.780 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876934461 1033187511 /nfs/dbraw/zinc/18/75/11/1033187511.db2.gz HSXPNOAQMRJTOF-MGPQQGTHSA-N 2 0 307.309 3.528 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000162418404 1024170739 /nfs/dbraw/zinc/17/07/39/1024170739.db2.gz OQCHVDFDOZRCRF-INIZCTEOSA-N 2 0 320.477 3.539 20 0 DHADRP COCc1c(C)cc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000882941303 1024180387 /nfs/dbraw/zinc/18/03/87/1024180387.db2.gz NRUJQPVDWKLJHM-SFHVURJKSA-N 2 0 318.505 3.578 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876963952 1033192140 /nfs/dbraw/zinc/19/21/40/1033192140.db2.gz MGSRBTBOLABIGW-GFCCVEGCSA-N 2 0 323.893 3.771 20 0 DHADRP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCOC1 ZINC000662482807 1024207536 /nfs/dbraw/zinc/20/75/36/1024207536.db2.gz BDVJCTGUDXXCOT-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269012695 1024221543 /nfs/dbraw/zinc/22/15/43/1024221543.db2.gz XWCSBGMHMWLNNC-NVXWUHKLSA-N 2 0 306.519 3.628 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269026397 1024222687 /nfs/dbraw/zinc/22/26/87/1024222687.db2.gz QOTOPNJCXRYKDQ-HNNXBMFYSA-N 2 0 304.453 3.753 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000269030401 1024226485 /nfs/dbraw/zinc/22/64/85/1024226485.db2.gz ROSNVZHDHYHICG-LBPRGKRZSA-N 2 0 304.356 3.578 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000531683519 1024269136 /nfs/dbraw/zinc/26/91/36/1024269136.db2.gz SHDYYBXGEDVXRB-FUHIMQAGSA-N 2 0 318.505 3.726 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531682828 1024269937 /nfs/dbraw/zinc/26/99/37/1024269937.db2.gz DZABYSNHQGZNRW-GPMSIDNRSA-N 2 0 302.506 3.845 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531731410 1024285629 /nfs/dbraw/zinc/28/56/29/1024285629.db2.gz CMOXZZAENMSXPM-KKSFZXQISA-N 2 0 312.501 3.923 20 0 DHADRP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000876994015 1033200201 /nfs/dbraw/zinc/20/02/01/1033200201.db2.gz ZWGCKUAOPGFOSF-CQSZACIVSA-N 2 0 319.320 3.815 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccncn1 ZINC000453084721 1024321285 /nfs/dbraw/zinc/32/12/85/1024321285.db2.gz WMXBIJUACCPPSL-KRWDZBQOSA-N 2 0 324.472 3.559 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccsc1 ZINC000453088615 1024323829 /nfs/dbraw/zinc/32/38/29/1024323829.db2.gz RJSWJCKVSNIPDM-INMHGKMJSA-N 2 0 310.507 3.678 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883256198 1024326765 /nfs/dbraw/zinc/32/67/65/1024326765.db2.gz QHJBFPCDIKISQV-NVXWUHKLSA-N 2 0 322.443 3.922 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000453106314 1024333541 /nfs/dbraw/zinc/33/35/41/1024333541.db2.gz IQCPGDJMIIJTNZ-FPOVZHCZSA-N 2 0 323.484 3.687 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000453173084 1024383524 /nfs/dbraw/zinc/38/35/24/1024383524.db2.gz YNBAGMCLFNIPSW-RCCFBDPRSA-N 2 0 322.518 3.557 20 0 DHADRP CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(C)(C)C ZINC000453195677 1024394758 /nfs/dbraw/zinc/39/47/58/1024394758.db2.gz JVNSTMFRVAFRBJ-RTBURBONSA-N 2 0 318.505 3.558 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000453209146 1024401814 /nfs/dbraw/zinc/40/18/14/1024401814.db2.gz CYKNXWRHWXWLRB-ICSRJNTNSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466965 1024408878 /nfs/dbraw/zinc/40/88/78/1024408878.db2.gz CESVIKNITISCLE-YLJYHZDGSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000663466820 1024409410 /nfs/dbraw/zinc/40/94/10/1024409410.db2.gz XSORNRHUKZQNLA-ICSRJNTNSA-N 2 0 315.505 3.880 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468956 1024415794 /nfs/dbraw/zinc/41/57/94/1024415794.db2.gz NREHJOSXGBWKHF-DLBZAZTESA-N 2 0 306.519 3.781 20 0 DHADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000883417514 1024431440 /nfs/dbraw/zinc/43/14/40/1024431440.db2.gz CNRGQEKERGRUGZ-UXHICEINSA-N 2 0 316.489 3.618 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1cscn1 ZINC000271059714 1024451640 /nfs/dbraw/zinc/45/16/40/1024451640.db2.gz BTRSJGDEPDCPES-AWEZNQCLSA-N 2 0 303.475 3.834 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)CCO1 ZINC000648427434 1024469142 /nfs/dbraw/zinc/46/91/42/1024469142.db2.gz APNNYQXIWGEBRM-VQTJNVASSA-N 2 0 316.489 3.507 20 0 DHADRP Cc1cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)ccc1F ZINC000453336772 1024469313 /nfs/dbraw/zinc/46/93/13/1024469313.db2.gz FMORYVKYRLXLLB-RGPMPMONSA-N 2 0 302.437 3.800 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172463828 1033214757 /nfs/dbraw/zinc/21/47/57/1033214757.db2.gz UOOFHLXVOSMLLK-QGZVFWFLSA-N 2 0 312.542 3.785 20 0 DHADRP Cc1cccc(C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C2CC2)c1 ZINC000453400441 1024499574 /nfs/dbraw/zinc/49/95/74/1024499574.db2.gz MGKSGSKJDDRGTI-HXUWFJFHSA-N 2 0 300.490 3.780 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1OC ZINC000453403292 1024500940 /nfs/dbraw/zinc/50/09/40/1024500940.db2.gz ODEOZUIFSLWSIK-HNNXBMFYSA-N 2 0 320.477 3.537 20 0 DHADRP C[C@@H]([NH2+]CCC1CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453404648 1024501060 /nfs/dbraw/zinc/50/10/60/1024501060.db2.gz DPWDYLLFJFLOQB-CRAIPNDOSA-N 2 0 322.443 3.922 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000453405244 1024501500 /nfs/dbraw/zinc/50/15/00/1024501500.db2.gz QESPQYYSZFZJMQ-OALUTQOASA-N 2 0 300.490 3.862 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2=CCCC2)[C@H](C)C1 ZINC000453405002 1024501786 /nfs/dbraw/zinc/50/17/86/1024501786.db2.gz SHHWPIDGEAPSQI-IEBWSBKVSA-N 2 0 322.537 3.850 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(OC(F)F)c1 ZINC000453410788 1024505350 /nfs/dbraw/zinc/50/53/50/1024505350.db2.gz VFELRHWUVCRHIB-CYBMUJFWSA-N 2 0 312.404 3.813 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001167827158 1024506064 /nfs/dbraw/zinc/50/60/64/1024506064.db2.gz UFTHWOKYGHYCPN-QZTJIDSGSA-N 2 0 303.494 3.772 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)C1CC1 ZINC000453411455 1024506580 /nfs/dbraw/zinc/50/65/80/1024506580.db2.gz VNTMSPYXZKJDDE-GOSISDBHSA-N 2 0 314.473 3.897 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)CC[N@@H+]1C ZINC000271506061 1024527022 /nfs/dbraw/zinc/52/70/22/1024527022.db2.gz RRIWBQROYUYIBU-NVXWUHKLSA-N 2 0 302.462 3.580 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000271544608 1024537133 /nfs/dbraw/zinc/53/71/33/1024537133.db2.gz UVBVSQTYDVFPOA-WCQYABFASA-N 2 0 323.893 3.565 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000453592854 1024545990 /nfs/dbraw/zinc/54/59/90/1024545990.db2.gz FPIVXGIKJQJMPM-UHFFFAOYSA-N 2 0 300.368 3.669 20 0 DHADRP COc1ccccc1C(C)(C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000103172178 1024552414 /nfs/dbraw/zinc/55/24/14/1024552414.db2.gz WKHHAYHJSCCWNL-UHFFFAOYSA-N 2 0 321.424 3.906 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000532192802 1024571953 /nfs/dbraw/zinc/57/19/53/1024571953.db2.gz QTNRAQLVRPFBKS-JTDSTZFVSA-N 2 0 318.480 3.956 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000532215423 1024576707 /nfs/dbraw/zinc/57/67/07/1024576707.db2.gz LFEFKNWOJOITCH-QGZVFWFLSA-N 2 0 312.457 3.520 20 0 DHADRP CCSCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244450 1024588808 /nfs/dbraw/zinc/58/88/08/1024588808.db2.gz NSVLTJMXQBMZCZ-MOPGFXCFSA-N 2 0 318.530 3.726 20 0 DHADRP CCc1ccc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)cn1 ZINC000348261412 1024614672 /nfs/dbraw/zinc/61/46/72/1024614672.db2.gz LULIKZKNEJDAPH-UHFFFAOYSA-N 2 0 317.521 3.978 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438392 1024642985 /nfs/dbraw/zinc/64/29/85/1024642985.db2.gz ACVGJPCVIGDJPN-YLJYHZDGSA-N 2 0 312.457 3.712 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC001167840992 1024652018 /nfs/dbraw/zinc/65/20/18/1024652018.db2.gz JBYMXQQYPNVHNF-MRXNPFEDSA-N 2 0 304.478 3.564 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000487536028 1024660061 /nfs/dbraw/zinc/66/00/61/1024660061.db2.gz JVHBWUBIHNAUIH-ZDUSSCGKSA-N 2 0 300.899 3.859 20 0 DHADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000432419196 1024665691 /nfs/dbraw/zinc/66/56/91/1024665691.db2.gz ZVIVDRAMAWHXBG-NVXWUHKLSA-N 2 0 310.507 3.680 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000666083590 1024675433 /nfs/dbraw/zinc/67/54/33/1024675433.db2.gz ZNMNATHEPCQRJN-QGZVFWFLSA-N 2 0 318.892 3.661 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160957 1024681253 /nfs/dbraw/zinc/68/12/53/1024681253.db2.gz UWVPOEVXYPSMEP-SNVBAGLBSA-N 2 0 316.276 3.568 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666086372 1024681367 /nfs/dbraw/zinc/68/13/67/1024681367.db2.gz GCLSTZGQWNGMJT-HOCLYGCPSA-N 2 0 306.881 3.519 20 0 DHADRP CC[C@H]1C[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190873 1024687137 /nfs/dbraw/zinc/68/71/37/1024687137.db2.gz FZOAPVKEZVMXGR-VJANTYMQSA-N 2 0 308.510 3.706 20 0 DHADRP CC[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CCO1 ZINC001170189968 1024687203 /nfs/dbraw/zinc/68/72/03/1024687203.db2.gz CNEBPBMCXJKLTE-IRXDYDNUSA-N 2 0 322.880 3.547 20 0 DHADRP ClC1(Cl)C[C@H]1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000877075741 1033229797 /nfs/dbraw/zinc/22/97/97/1033229797.db2.gz GKTDKOYOZNLORY-HSBZDZAISA-N 2 0 305.293 3.567 20 0 DHADRP Cc1cnc([C@@H](C)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000349832953 1024758062 /nfs/dbraw/zinc/75/80/62/1024758062.db2.gz KNKSSLFGUQYFKC-AWEZNQCLSA-N 2 0 321.534 3.942 20 0 DHADRP CC(C)[NH+](CCCNc1nccc2c(N)cccc21)C(C)C ZINC000663679486 1024776172 /nfs/dbraw/zinc/77/61/72/1024776172.db2.gz WOJCWNYPWGKHEQ-UHFFFAOYSA-N 2 0 300.450 3.738 20 0 DHADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354664 1024779125 /nfs/dbraw/zinc/77/91/25/1024779125.db2.gz FNYLEGMMMNZVSD-LJQANCHMSA-N 2 0 320.427 3.664 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(CC)s2)CC1 ZINC000350224421 1024802350 /nfs/dbraw/zinc/80/23/50/1024802350.db2.gz VUQJKPMNTYLIQZ-UHFFFAOYSA-N 2 0 309.523 3.649 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000796946521 1024840805 /nfs/dbraw/zinc/84/08/05/1024840805.db2.gz FXVGLDFECLNCFJ-MHJFOBGBSA-N 2 0 314.473 3.712 20 0 DHADRP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000925825601 1024861973 /nfs/dbraw/zinc/86/19/73/1024861973.db2.gz ARASZOZLZUTJKT-CHWSQXEVSA-N 2 0 301.409 3.708 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000319924746 1024898238 /nfs/dbraw/zinc/89/82/38/1024898238.db2.gz JQGLGPHQLXVBDB-HNAYVOBHSA-N 2 0 304.478 3.870 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC(n2ccnc2)CC1 ZINC001168186636 1025012773 /nfs/dbraw/zinc/01/27/73/1025012773.db2.gz CAWPXQSUWLIAJF-CQSZACIVSA-N 2 0 303.837 3.805 20 0 DHADRP Cc1cccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000120411298 1025032217 /nfs/dbraw/zinc/03/22/17/1025032217.db2.gz HTYHBHKUEQOFBQ-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@H]2CCC[C@H]21 ZINC000353404905 1025057508 /nfs/dbraw/zinc/05/75/08/1025057508.db2.gz NHVZDBVWLBQGDW-XLNGHYISSA-N 2 0 302.487 3.686 20 0 DHADRP c1ccc([C@@H]2CC[C@@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001172559546 1033255954 /nfs/dbraw/zinc/25/59/54/1033255954.db2.gz ZGKURWMQKLZIRP-UYAOXDASSA-N 2 0 307.441 3.540 20 0 DHADRP C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539053631 1033256422 /nfs/dbraw/zinc/25/64/22/1033256422.db2.gz SLGOLHMPBNUENC-MRXNPFEDSA-N 2 0 316.489 3.858 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)c1OC ZINC000353457507 1025073517 /nfs/dbraw/zinc/07/35/17/1025073517.db2.gz ZLTVZUJLDCCUML-MRXNPFEDSA-N 2 0 320.477 3.539 20 0 DHADRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565907 1033257223 /nfs/dbraw/zinc/25/72/23/1033257223.db2.gz PXEHLNLOGDSAAV-WOJBJXKFSA-N 2 0 321.468 3.848 20 0 DHADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353513076 1025102715 /nfs/dbraw/zinc/10/27/15/1025102715.db2.gz DXKNTNNDUFQQNF-DOMZBBRYSA-N 2 0 318.383 3.966 20 0 DHADRP Cc1ccc(/C=C/c2ccc(NC(=[NH2+])NCCCC[NH3+])cc2)cc1 ZINC001167881899 1025126021 /nfs/dbraw/zinc/12/60/21/1025126021.db2.gz LJAMOZDABYBBMM-CMDGGOBGSA-N 2 0 322.456 3.841 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000391369805 1025158551 /nfs/dbraw/zinc/15/85/51/1025158551.db2.gz SKCSVNCWPQGARC-GOSISDBHSA-N 2 0 318.505 3.964 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353667624 1025187198 /nfs/dbraw/zinc/18/71/98/1025187198.db2.gz CNEYIYPPNCGVCV-KZNAEPCWSA-N 2 0 304.503 3.512 20 0 DHADRP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400964532 1025203301 /nfs/dbraw/zinc/20/33/01/1025203301.db2.gz KADMXVMDYSADAR-LUKYLMHMSA-N 2 0 302.462 3.513 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000236915486 1025227272 /nfs/dbraw/zinc/22/72/72/1025227272.db2.gz XGAISGADVROVCM-UHFFFAOYSA-N 2 0 316.489 3.612 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000040622731 1025242379 /nfs/dbraw/zinc/24/23/79/1025242379.db2.gz VWSAVVJEUANWKZ-NXVRBGIVSA-N 2 0 306.881 3.906 20 0 DHADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000666611895 1025247007 /nfs/dbraw/zinc/24/70/07/1025247007.db2.gz PBXUGDVRTYGMEB-GXTWGEPZSA-N 2 0 300.368 3.525 20 0 DHADRP Cc1c2[nH+]c[nH]c2ccc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170451019 1025291667 /nfs/dbraw/zinc/29/16/67/1025291667.db2.gz IKWXLDHRIXVPBV-UHFFFAOYSA-N 2 0 300.450 3.935 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000171127939 1025302819 /nfs/dbraw/zinc/30/28/19/1025302819.db2.gz GVPPJUHROBAQPT-NRFANRHFSA-N 2 0 324.468 3.794 20 0 DHADRP Cc1ccncc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000279887395 1025305318 /nfs/dbraw/zinc/30/53/18/1025305318.db2.gz KNNIOUDKROUCSR-UHFFFAOYSA-N 2 0 309.457 3.666 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000279892020 1025309407 /nfs/dbraw/zinc/30/94/07/1025309407.db2.gz ABLHUVSASQMSBJ-CHEUSRNYSA-N 2 0 304.453 3.780 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccccc1 ZINC000925854927 1025327929 /nfs/dbraw/zinc/32/79/29/1025327929.db2.gz BHBIFCRAOSXTHI-SJORKVTESA-N 2 0 304.503 3.875 20 0 DHADRP COc1ccc2ccccc2c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093088694 1025348922 /nfs/dbraw/zinc/34/89/22/1025348922.db2.gz AWFDJWXWNDDBRS-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP CCSCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000282941541 1025369614 /nfs/dbraw/zinc/36/96/14/1025369614.db2.gz YVPAEFRJJLDADZ-REPLKXPHSA-N 2 0 318.530 3.915 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(OC)c1 ZINC000123610550 1025392641 /nfs/dbraw/zinc/39/26/41/1025392641.db2.gz SPUQZZCBTLKPNO-FQEVSTJZSA-N 2 0 312.457 3.998 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(COC)o2)cc1 ZINC000125241714 1025395960 /nfs/dbraw/zinc/39/59/60/1025395960.db2.gz HAMFPWJVXKGOFY-UHFFFAOYSA-N 2 0 316.445 3.558 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3CC[C@H]([NH3+])C3)cs2)cs1 ZINC000925874945 1025396755 /nfs/dbraw/zinc/39/67/55/1025396755.db2.gz AAXWWACWKMLSAZ-SUHUHFCYSA-N 2 0 321.515 3.958 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000885915596 1025403817 /nfs/dbraw/zinc/40/38/17/1025403817.db2.gz ASEIELCMKNXFTF-UXHICEINSA-N 2 0 316.489 3.720 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000925876530 1025411069 /nfs/dbraw/zinc/41/10/69/1025411069.db2.gz AOQDPSBQCUZTER-BYCMXARLSA-N 2 0 311.267 3.617 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(C)(C)C ZINC000885990639 1025428490 /nfs/dbraw/zinc/42/84/90/1025428490.db2.gz MHXYIYRCVUVJMM-IRXDYDNUSA-N 2 0 310.526 3.824 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000886008572 1025437001 /nfs/dbraw/zinc/43/70/01/1025437001.db2.gz PWVHVGOZRFPRCM-QFBILLFUSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@@H](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCC1 ZINC000886062484 1025459982 /nfs/dbraw/zinc/45/99/82/1025459982.db2.gz PXTNUKVLXLARLN-ROUUACIJSA-N 2 0 308.510 3.722 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000354581580 1025462214 /nfs/dbraw/zinc/46/22/14/1025462214.db2.gz QLASQYHHFRZFIC-ROUUACIJSA-N 2 0 310.445 3.586 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000126336314 1025509208 /nfs/dbraw/zinc/50/92/08/1025509208.db2.gz XQNJUGDUMDSOQZ-HNNXBMFYSA-N 2 0 312.404 3.671 20 0 DHADRP Fc1cccc(/C=C/C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000886166226 1025542649 /nfs/dbraw/zinc/54/26/49/1025542649.db2.gz CJBDFNZKOXVKDX-DUXPYHPUSA-N 2 0 302.437 3.551 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000886177051 1025549742 /nfs/dbraw/zinc/54/97/42/1025549742.db2.gz SXJBLFYONOWLNA-LXPRWKDFSA-N 2 0 308.510 3.721 20 0 DHADRP CSCc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000893855830 1025571911 /nfs/dbraw/zinc/57/19/11/1025571911.db2.gz GUSZIBSJYYMTIE-UHFFFAOYSA-N 2 0 304.503 3.610 20 0 DHADRP CSc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971198 1025581005 /nfs/dbraw/zinc/58/10/05/1025581005.db2.gz KKWNLZPNUJYCCH-UHFFFAOYSA-N 2 0 304.503 3.716 20 0 DHADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(OC)cc1 ZINC000355073573 1025597824 /nfs/dbraw/zinc/59/78/24/1025597824.db2.gz ZKYUVLPBKSBEGE-SFHVURJKSA-N 2 0 304.478 3.858 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCSc3ccccc32)CCCC1 ZINC000355072414 1025598978 /nfs/dbraw/zinc/59/89/78/1025598978.db2.gz XKWPAIWRNUTXFQ-MRXNPFEDSA-N 2 0 304.503 3.935 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205265 1025636708 /nfs/dbraw/zinc/63/67/08/1025636708.db2.gz JBPACQJKZGQMBW-LEWJYISDSA-N 2 0 321.468 3.665 20 0 DHADRP COc1ccccc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886487417 1025646777 /nfs/dbraw/zinc/64/67/77/1025646777.db2.gz CLUSVLVGGLQKST-UHFFFAOYSA-N 2 0 302.462 3.582 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886487592 1025647937 /nfs/dbraw/zinc/64/79/37/1025647937.db2.gz KRPRPIMGBXDKJN-HDYDNRTBSA-N 3 0 323.569 3.884 20 0 DHADRP COCc1ccc([C@@H]2CCC[N@@H+]2CCCCn2ccnc2C)o1 ZINC000131060770 1025682070 /nfs/dbraw/zinc/68/20/70/1025682070.db2.gz DZNKLIZRUUEQLK-KRWDZBQOSA-N 2 0 317.433 3.548 20 0 DHADRP CCc1cnc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886534873 1025684227 /nfs/dbraw/zinc/68/42/27/1025684227.db2.gz QOIQPJPSDKFHFT-UHFFFAOYSA-N 2 0 307.507 3.592 20 0 DHADRP Fc1ccc(C2CC([NH2+]CC3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000894067194 1025684537 /nfs/dbraw/zinc/68/45/37/1025684537.db2.gz HRBQLDDODABDLJ-UHFFFAOYSA-N 2 0 320.427 3.675 20 0 DHADRP C[C@H](CC1CCOCC1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886549566 1025694450 /nfs/dbraw/zinc/69/44/50/1025694450.db2.gz JZKBNLZOJUMMIU-IPJUCJBFSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H](CC1CCOCC1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886549567 1025697436 /nfs/dbraw/zinc/69/74/36/1025697436.db2.gz JZKBNLZOJUMMIU-IVMQYODDSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000049554189 1025715605 /nfs/dbraw/zinc/71/56/05/1025715605.db2.gz WBLKIUHYGOSWPT-SWLSCSKDSA-N 2 0 313.283 3.830 20 0 DHADRP C[C@@H](CCO)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000359893020 1025723815 /nfs/dbraw/zinc/72/38/15/1025723815.db2.gz CHJMYBDEFKQJEM-KRWDZBQOSA-N 2 0 322.537 3.562 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cncc(F)c1 ZINC000886588538 1025725775 /nfs/dbraw/zinc/72/57/75/1025725775.db2.gz UIDSGAKGKCGYRU-RWBZWWBESA-N 2 0 305.441 3.668 20 0 DHADRP Cc1cc(Cl)nc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886607137 1025732075 /nfs/dbraw/zinc/73/20/75/1025732075.db2.gz LMFQYJHZCNBCQK-UHFFFAOYSA-N 2 0 321.896 3.930 20 0 DHADRP Cc1cccc(CCC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886609009 1025736392 /nfs/dbraw/zinc/73/63/92/1025736392.db2.gz JSYAPNQBJFMUKX-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP CSCC1(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886636916 1025754491 /nfs/dbraw/zinc/75/44/91/1025754491.db2.gz YCDYDNMXRWITTM-UHFFFAOYSA-N 2 0 310.551 3.906 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000133010174 1025761635 /nfs/dbraw/zinc/76/16/35/1025761635.db2.gz MBVCQWHACXWIHL-PXNSSMCTSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000355653250 1025799820 /nfs/dbraw/zinc/79/98/20/1025799820.db2.gz KKFHETMOAKARCJ-QGZVFWFLSA-N 2 0 312.461 3.834 20 0 DHADRP Cc1csc(C[C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000886696055 1025807414 /nfs/dbraw/zinc/80/74/14/1025807414.db2.gz FSEOECHSSPDBJL-IAGOWNOFSA-N 2 0 321.534 3.580 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC1CC1)CC1CCC1 ZINC000355736929 1025822661 /nfs/dbraw/zinc/82/26/61/1025822661.db2.gz UYZWYTDBOXXXET-UHFFFAOYSA-N 2 0 310.445 3.588 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](CCCCC2CCOCC2)CC1 ZINC000886718336 1025831731 /nfs/dbraw/zinc/83/17/31/1025831731.db2.gz XMAYRAXKWBNEPP-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP Cc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c2ccccc2n1 ZINC000077172894 1025890681 /nfs/dbraw/zinc/89/06/81/1025890681.db2.gz WMUIITLMFHZBQB-UHFFFAOYSA-N 2 0 311.473 3.707 20 0 DHADRP NC1(c2ccccc2C(F)(F)F)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917253 1025924999 /nfs/dbraw/zinc/92/49/99/1025924999.db2.gz LJWUGNCGUYGDJI-WDNDVIMCSA-N 2 0 324.390 3.754 20 0 DHADRP c1nc2cc(C[NH2+]CCCCCCC[NH+]3CCCC3)ccc2[nH]1 ZINC000729682057 1025926682 /nfs/dbraw/zinc/92/66/82/1025926682.db2.gz IXXLYPRQMMKTNB-UHFFFAOYSA-N 2 0 314.477 3.699 20 0 DHADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1cccnc1 ZINC000411398566 1025979974 /nfs/dbraw/zinc/97/99/74/1025979974.db2.gz CPCDEVBJDMDPEO-UHFFFAOYSA-N 2 0 309.457 3.700 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)o1 ZINC000237372708 1026014241 /nfs/dbraw/zinc/01/42/41/1026014241.db2.gz QZEVEIZXEWGDCC-BEFAXECRSA-N 2 0 321.424 3.938 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)c(OC)c2)[C@@H](C)C1 ZINC000245444613 1026047003 /nfs/dbraw/zinc/04/70/03/1026047003.db2.gz YDXMOHNWPBCUSX-GOEBONIOSA-N 2 0 322.518 3.579 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccncc1 ZINC000090775324 1026086334 /nfs/dbraw/zinc/08/63/34/1026086334.db2.gz CLVFEUMUNYFEME-IVMQYODDSA-N 2 0 301.478 3.775 20 0 DHADRP CO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000411693717 1026086891 /nfs/dbraw/zinc/08/68/91/1026086891.db2.gz MFSBMRNGYKWLIF-PXNSSMCTSA-N 2 0 316.489 3.672 20 0 DHADRP CC(C)[N@@H+](CC[C@H](C)CCCC(C)(C)O)[C@@H]1CCC[NH2+]CC1 ZINC001206584340 1026105327 /nfs/dbraw/zinc/10/53/27/1026105327.db2.gz YNYRDKIWKXJVPA-QZTJIDSGSA-N 2 0 312.542 3.806 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894148234 1026198927 /nfs/dbraw/zinc/19/89/27/1026198927.db2.gz AOUPZRBEODZFOO-UHFFFAOYSA-N 2 0 311.882 3.627 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261747620 1026247244 /nfs/dbraw/zinc/24/72/44/1026247244.db2.gz BYNOWFUWOMPNJM-GXTWGEPZSA-N 2 0 300.368 3.573 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000052209417 1026260242 /nfs/dbraw/zinc/26/02/42/1026260242.db2.gz LRFFKLIKNCOQEO-UHFFFAOYSA-N 2 0 315.461 3.772 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894200133 1026343226 /nfs/dbraw/zinc/34/32/26/1026343226.db2.gz JVZHKQIMYCJIJJ-LBPRGKRZSA-N 2 0 323.893 3.771 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000513330885 1026478447 /nfs/dbraw/zinc/47/84/47/1026478447.db2.gz PGBDDIDFBSVMSV-MJGOQNOKSA-N 2 0 323.569 3.740 20 0 DHADRP CCc1ccc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000513367161 1026485520 /nfs/dbraw/zinc/48/55/20/1026485520.db2.gz OEIRRSZNBQJBEI-VQTJNVASSA-N 2 0 300.490 3.913 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cncs2)C[N@@H+]1Cc1ccccc1 ZINC000513544699 1026538427 /nfs/dbraw/zinc/53/84/27/1026538427.db2.gz LOBSKGSOCQEWQY-NVXWUHKLSA-N 2 0 315.486 3.533 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000414183958 1026544681 /nfs/dbraw/zinc/54/46/81/1026544681.db2.gz NNKIBJFWPNBPFB-WMZOPIPTSA-N 2 0 304.478 3.776 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000513656950 1026552421 /nfs/dbraw/zinc/55/24/21/1026552421.db2.gz ZLRAVIXZNLMYGE-PMPSAXMXSA-N 2 0 312.379 3.668 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000513662762 1026560001 /nfs/dbraw/zinc/56/00/01/1026560001.db2.gz ZOESTRKHEWQXBN-NJAFHUGGSA-N 2 0 322.493 3.521 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(F)nc2)CC1)CC(C)C ZINC000809755547 1026616111 /nfs/dbraw/zinc/61/61/11/1026616111.db2.gz KHGQBVCOZKSTTK-UHFFFAOYSA-N 2 0 321.484 3.801 20 0 DHADRP Cc1ccccc1[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000647886619 1026682007 /nfs/dbraw/zinc/68/20/07/1026682007.db2.gz CFPOWSKUUBMACO-PXNSSMCTSA-N 2 0 316.489 3.537 20 0 DHADRP Cc1csc(CCCC[NH2+]C2CC[NH+](CCC(C)C)CC2)n1 ZINC000924920591 1026782600 /nfs/dbraw/zinc/78/26/00/1026782600.db2.gz PUYHIWPRXWEOHU-UHFFFAOYSA-N 2 0 323.550 3.874 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000420295345 1026795952 /nfs/dbraw/zinc/79/59/52/1026795952.db2.gz VHMQYDUZDYKEKV-UHFFFAOYSA-N 2 0 324.896 3.949 20 0 DHADRP COc1ccc([C@H]2CCCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420316639 1026800673 /nfs/dbraw/zinc/80/06/73/1026800673.db2.gz MVMNKEUWNZYVHU-VQIMIIECSA-N 2 0 302.462 3.612 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367051 1026810299 /nfs/dbraw/zinc/81/02/99/1026810299.db2.gz GMMDDJSTZOOMED-CABCVRRESA-N 2 0 309.523 3.957 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000421385154 1026976076 /nfs/dbraw/zinc/97/60/76/1026976076.db2.gz NHMUNMYCKNBQKP-OQIJWPOYSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1Cl ZINC000421822406 1027056228 /nfs/dbraw/zinc/05/62/28/1027056228.db2.gz WTYIUCQOJJNOHA-HUUCEWRRSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000271717431 1027126737 /nfs/dbraw/zinc/12/67/37/1027126737.db2.gz NLRCLIYGAFFABJ-CQSZACIVSA-N 2 0 306.881 3.878 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000561956506 1027141888 /nfs/dbraw/zinc/14/18/88/1027141888.db2.gz HRGURFJVPFUQJU-MOPGFXCFSA-N 2 0 323.569 3.549 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000571908337 1027157694 /nfs/dbraw/zinc/15/76/94/1027157694.db2.gz YHCIRXUDIDSTQU-CQSZACIVSA-N 2 0 317.246 3.629 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCCC[NH+](C)C)oc21 ZINC000271837989 1027158866 /nfs/dbraw/zinc/15/88/66/1027158866.db2.gz GJNVVXKBFHAFJZ-CQSZACIVSA-N 2 0 304.434 3.824 20 0 DHADRP C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271986125 1027193016 /nfs/dbraw/zinc/19/30/16/1027193016.db2.gz KQLAXAAGIJYXFZ-KRWDZBQOSA-N 2 0 324.468 3.967 20 0 DHADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000572355564 1027197715 /nfs/dbraw/zinc/19/77/15/1027197715.db2.gz DEPJFWXVNSOSKK-VQIMIIECSA-N 2 0 318.505 3.558 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000572830528 1027233539 /nfs/dbraw/zinc/23/35/39/1027233539.db2.gz KAXQJQSSTWSFAE-ZDUSSCGKSA-N 2 0 309.523 3.957 20 0 DHADRP FC(F)(F)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000573228999 1027274700 /nfs/dbraw/zinc/27/47/00/1027274700.db2.gz LRPFINWAVIMHHV-UHFFFAOYSA-N 2 0 304.400 3.716 20 0 DHADRP C[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000422562474 1027286181 /nfs/dbraw/zinc/28/61/81/1027286181.db2.gz QHNNUPSFHAPSRN-CYBMUJFWSA-N 2 0 312.379 3.637 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@@H]1C[NH3+] ZINC000422561639 1027287317 /nfs/dbraw/zinc/28/73/17/1027287317.db2.gz MMYCBWUZHRITIM-QINHECLXSA-N 2 0 309.457 3.554 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422698264 1027295758 /nfs/dbraw/zinc/29/57/58/1027295758.db2.gz YKLVAMGDICPZLF-CTNGQTDRSA-N 2 0 322.452 3.649 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)c21 ZINC000422723199 1027306399 /nfs/dbraw/zinc/30/63/99/1027306399.db2.gz ZVWGIVURZAOIHK-IEBWSBKVSA-N 2 0 305.425 3.753 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000422758368 1027306765 /nfs/dbraw/zinc/30/67/65/1027306765.db2.gz JKANJUWYRPAPHN-HKUYNNGSSA-N 2 0 309.388 3.584 20 0 DHADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422723243 1027307487 /nfs/dbraw/zinc/30/74/87/1027307487.db2.gz QOLSCBLYTUAPFS-FRQCXROJSA-N 2 0 304.478 3.525 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422739193 1027308128 /nfs/dbraw/zinc/30/81/28/1027308128.db2.gz KRLJEGKRKSTNOR-ZWQIFLOQSA-N 2 0 304.453 3.830 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCOCCc2ccccc2)c2ccccc21 ZINC000422724286 1027308183 /nfs/dbraw/zinc/30/81/83/1027308183.db2.gz VGDGYSXSDXVPPO-SFTDATJTSA-N 2 0 324.468 3.760 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422759557 1027308283 /nfs/dbraw/zinc/30/82/83/1027308283.db2.gz PMTLBQYRSNHOLH-LAUBAEHRSA-N 2 0 308.469 3.796 20 0 DHADRP CN(CCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422745044 1027309437 /nfs/dbraw/zinc/30/94/37/1027309437.db2.gz XBLJYOVPKAZHQR-WOJBJXKFSA-N 2 0 309.457 3.637 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)CCCC[NH3+])c2ccccc2)cc1 ZINC000422770149 1027312787 /nfs/dbraw/zinc/31/27/87/1027312787.db2.gz UKOKVAUNLNLVPM-OXJNMPFZSA-N 2 0 312.457 3.892 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422777387 1027316793 /nfs/dbraw/zinc/31/67/93/1027316793.db2.gz FMPFEBYNGRZXPJ-HNNXBMFYSA-N 2 0 311.473 3.786 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])oc21 ZINC000422784100 1027317282 /nfs/dbraw/zinc/31/72/82/1027317282.db2.gz LVEQDSJENDVSAG-KBPBESRZSA-N 2 0 304.434 4.000 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422798032 1027321368 /nfs/dbraw/zinc/32/13/68/1027321368.db2.gz PLSYPQRHCNTKNM-XFKAJCMBSA-N 2 0 322.880 3.618 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786018 1027322866 /nfs/dbraw/zinc/32/28/66/1027322866.db2.gz NZBRBCBAONTHET-FFGOWVMKSA-N 2 0 316.489 3.665 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422802612 1027327192 /nfs/dbraw/zinc/32/71/92/1027327192.db2.gz HPHGMGOOIQGFGO-GOSISDBHSA-N 3 0 317.521 3.526 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000422807285 1027327456 /nfs/dbraw/zinc/32/74/56/1027327456.db2.gz LZEATRRMLSXGEW-DCBWTQNWSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422810827 1027330836 /nfs/dbraw/zinc/33/08/36/1027330836.db2.gz NYLBKXKGXLLWNA-IVMMDQJWSA-N 2 0 314.395 3.916 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422810348 1027333065 /nfs/dbraw/zinc/33/30/65/1027333065.db2.gz RQBSBDZTZDEEBK-FFGOWVMKSA-N 2 0 316.489 3.583 20 0 DHADRP CCOCc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000422832931 1027333318 /nfs/dbraw/zinc/33/33/18/1027333318.db2.gz LUSUUYNPTCQQLO-QFBILLFUSA-N 2 0 304.478 3.624 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422831743 1027333396 /nfs/dbraw/zinc/33/33/96/1027333396.db2.gz UCTXOHBZECBJHX-GOSISDBHSA-N 3 0 317.521 3.670 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422835369 1027333656 /nfs/dbraw/zinc/33/36/56/1027333656.db2.gz INVYQQBVLKZBPS-OAHLLOKOSA-N 2 0 310.441 3.506 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000422828807 1027335937 /nfs/dbraw/zinc/33/59/37/1027335937.db2.gz BJDGJQSTKQQKRG-GHMZBOCLSA-N 2 0 303.277 3.986 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000422835423 1027337739 /nfs/dbraw/zinc/33/77/39/1027337739.db2.gz IVFAOEGURPMWET-ZIAGYGMSSA-N 2 0 301.261 3.740 20 0 DHADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422839243 1027338026 /nfs/dbraw/zinc/33/80/26/1027338026.db2.gz QCCDPVJELSIGNG-FCGDIQPGSA-N 2 0 316.514 3.527 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924958205 1027338883 /nfs/dbraw/zinc/33/88/83/1027338883.db2.gz CWHQIIIFXALOOI-DLBZAZTESA-N 2 0 318.505 3.685 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2SCCc3ccccc32)c2ccccc21 ZINC000422838284 1027339778 /nfs/dbraw/zinc/33/97/78/1027339778.db2.gz OALKGLJOTKBXJD-GUDVDZBRSA-N 2 0 310.466 3.751 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000422835421 1027340043 /nfs/dbraw/zinc/34/00/43/1027340043.db2.gz IVFAOEGURPMWET-KGLIPLIRSA-N 2 0 301.261 3.740 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422911058 1027358637 /nfs/dbraw/zinc/35/86/37/1027358637.db2.gz SBKRJOBMTNGDKY-LBPRGKRZSA-N 2 0 302.384 3.700 20 0 DHADRP C[C@H](CCCC[NH3+])Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422922191 1027360900 /nfs/dbraw/zinc/36/09/00/1027360900.db2.gz PUQOMKBPHIGDOQ-SJORKVTESA-N 2 0 303.494 3.990 20 0 DHADRP CCCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422893757 1027361083 /nfs/dbraw/zinc/36/10/83/1027361083.db2.gz RFFYFCICWSNPHU-GJZGRUSLSA-N 2 0 320.477 3.523 20 0 DHADRP C[C@@H](CCCC[NH3+])Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422922188 1027361200 /nfs/dbraw/zinc/36/12/00/1027361200.db2.gz PUQOMKBPHIGDOQ-DLBZAZTESA-N 2 0 303.494 3.990 20 0 DHADRP C[C@@H](CCCC[NH3+])Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422922190 1027362045 /nfs/dbraw/zinc/36/20/45/1027362045.db2.gz PUQOMKBPHIGDOQ-IRXDYDNUSA-N 2 0 303.494 3.990 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc2ccccc2o1 ZINC000422924238 1027362895 /nfs/dbraw/zinc/36/28/95/1027362895.db2.gz TWCNBYFAKSIVPC-KXBFYZLASA-N 2 0 308.425 3.523 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC2CCC(C[NH3+])CC2)cc1 ZINC000422916802 1027363083 /nfs/dbraw/zinc/36/30/83/1027363083.db2.gz FEYJKALNNMICIO-MUYFXNHWSA-N 2 0 315.505 3.990 20 0 DHADRP COc1ccc(C2([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000422939836 1027369440 /nfs/dbraw/zinc/36/94/40/1027369440.db2.gz SABWPPPWRSGSGC-RDJZCZTQSA-N 2 0 302.462 3.585 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422942261 1027370083 /nfs/dbraw/zinc/37/00/83/1027370083.db2.gz WHUAVANGOLQRMV-AVGNSLFASA-N 2 0 303.475 3.895 20 0 DHADRP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422920000 1027371757 /nfs/dbraw/zinc/37/17/57/1027371757.db2.gz LLEUBAOHLSJUJF-RIVXBTQJSA-N 2 0 302.462 3.657 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422947402 1027375013 /nfs/dbraw/zinc/37/50/13/1027375013.db2.gz QMEIGBJRMSYFIZ-PMPSAXMXSA-N 2 0 322.518 3.673 20 0 DHADRP CC[C@@H]([NH2+]C[C@H](C)CSc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422945723 1027375416 /nfs/dbraw/zinc/37/54/16/1027375416.db2.gz NUTIDVQIYVLNLU-XHSDSOJGSA-N 2 0 322.518 3.544 20 0 DHADRP CCCOc1cccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422991642 1027382218 /nfs/dbraw/zinc/38/22/18/1027382218.db2.gz PXEMTECSLZSXEE-UXHICEINSA-N 2 0 310.441 3.752 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422995109 1027383197 /nfs/dbraw/zinc/38/31/97/1027383197.db2.gz JHRVGKMSVQYEKQ-YLJYHZDGSA-N 2 0 308.469 3.557 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000423000026 1027387171 /nfs/dbraw/zinc/38/71/71/1027387171.db2.gz UKDDTLAGRIYUIN-SLFFLAALSA-N 2 0 312.501 3.910 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423016771 1027390828 /nfs/dbraw/zinc/39/08/28/1027390828.db2.gz UNQMOIZQQQTRFQ-ZTFGCOKTSA-N 2 0 320.427 3.507 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423021281 1027392554 /nfs/dbraw/zinc/39/25/54/1027392554.db2.gz DXRFHAJCQWJRPE-DLBZAZTESA-N 2 0 312.457 3.524 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000423020378 1027393641 /nfs/dbraw/zinc/39/36/41/1027393641.db2.gz BDHCMHXHJUZKHZ-IEBWSBKVSA-N 2 0 304.478 3.531 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)[C@H](C)C1 ZINC001170685515 1027395711 /nfs/dbraw/zinc/39/57/11/1027395711.db2.gz OJESOFFCJPANNK-AZOIQLNYSA-N 2 0 322.443 3.531 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000423024789 1027397361 /nfs/dbraw/zinc/39/73/61/1027397361.db2.gz MPDIJIPIGFVWDR-AGIUHOORSA-N 2 0 302.384 3.914 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423041026 1027401344 /nfs/dbraw/zinc/40/13/44/1027401344.db2.gz IIVDXLXGVJYLGN-XWSJACJDSA-N 2 0 321.553 3.540 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000423041698 1027401364 /nfs/dbraw/zinc/40/13/64/1027401364.db2.gz XSNJFZUHVOURIC-RTBURBONSA-N 2 0 322.452 3.851 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cccc2c1CC[C@H]2[NH3+] ZINC001170686684 1027410392 /nfs/dbraw/zinc/41/03/92/1027410392.db2.gz YWXVTOKESODZAY-SUMWQHHRSA-N 2 0 318.424 3.505 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000423079241 1027410911 /nfs/dbraw/zinc/41/09/11/1027410911.db2.gz XVCVQDRUOUEDHI-ILZDJORESA-N 2 0 312.457 3.555 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423098629 1027414596 /nfs/dbraw/zinc/41/45/96/1027414596.db2.gz CZLPPGYUVGWXJV-JSGCOSHPSA-N 2 0 300.899 3.831 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423101164 1027418266 /nfs/dbraw/zinc/41/82/66/1027418266.db2.gz COLBPOBTIBDFIT-GBESFXJTSA-N 2 0 318.530 3.950 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423075733 1027418604 /nfs/dbraw/zinc/41/86/04/1027418604.db2.gz XRVPDBHGRBIYMV-VAMGGRTRSA-N 2 0 316.489 3.794 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423101754 1027419257 /nfs/dbraw/zinc/41/92/57/1027419257.db2.gz JDRDQSNJIZNBBT-GUYCJALGSA-N 2 0 310.869 3.525 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423128584 1027422202 /nfs/dbraw/zinc/42/22/02/1027422202.db2.gz LDJBAYXZZRCTIM-VLIAUNLRSA-N 2 0 309.457 3.693 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113136 1027428470 /nfs/dbraw/zinc/42/84/70/1027428470.db2.gz YMVJAIXVERKLRO-TZMCWYRMSA-N 2 0 300.899 3.702 20 0 DHADRP c1cc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423113504 1027428950 /nfs/dbraw/zinc/42/89/50/1027428950.db2.gz YIKHDOVUWYNBLR-MISYRCLQSA-N 2 0 311.473 3.611 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423145786 1027429624 /nfs/dbraw/zinc/42/96/24/1027429624.db2.gz MLIBNLNEJXIVPY-LDQXTDLNSA-N 2 0 308.469 3.655 20 0 DHADRP CCSc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423133620 1027435465 /nfs/dbraw/zinc/43/54/65/1027435465.db2.gz QQUQNPQURUANIZ-CYBMUJFWSA-N 2 0 315.486 3.812 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423173650 1027437652 /nfs/dbraw/zinc/43/76/52/1027437652.db2.gz ZNNVVWSQTQERRH-YTQUADARSA-N 2 0 315.505 3.780 20 0 DHADRP Fc1ccccc1C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423207087 1027444587 /nfs/dbraw/zinc/44/45/87/1027444587.db2.gz GOWJQIWPTOLWNO-JXFKEZNVSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000423196143 1027451482 /nfs/dbraw/zinc/45/14/82/1027451482.db2.gz ZBCBZKQQFFSBLE-JXSMBQFASA-N 2 0 306.881 3.954 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(C)cc2)cc1 ZINC000423193497 1027452149 /nfs/dbraw/zinc/45/21/49/1027452149.db2.gz WPPJNLZBDYECFT-NRFANRHFSA-N 2 0 308.469 3.929 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000423214679 1027460063 /nfs/dbraw/zinc/46/00/63/1027460063.db2.gz LTLOYRQXSMSMPB-RJYAGPCLSA-N 2 0 302.462 3.786 20 0 DHADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423219259 1027461808 /nfs/dbraw/zinc/46/18/08/1027461808.db2.gz SZKJJESLLHDKCI-WWGRRREGSA-N 2 0 310.869 3.777 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000575242548 1027468802 /nfs/dbraw/zinc/46/88/02/1027468802.db2.gz OPYWASMHGHPZQX-OAHLLOKOSA-N 2 0 311.429 3.524 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCS2 ZINC000423251682 1027474857 /nfs/dbraw/zinc/47/48/57/1027474857.db2.gz SIVBHTTXORHZAN-WFASDCNBSA-N 2 0 310.894 3.856 20 0 DHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423248663 1027475126 /nfs/dbraw/zinc/47/51/26/1027475126.db2.gz RVXFUAMWROSJSZ-ZCNNSNEGSA-N 2 0 309.457 3.544 20 0 DHADRP Fc1ccc(C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423248100 1027476125 /nfs/dbraw/zinc/47/61/25/1027476125.db2.gz MNUZITGWEAUGQS-PXNSSMCTSA-N 2 0 312.432 3.699 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423256348 1027478414 /nfs/dbraw/zinc/47/84/14/1027478414.db2.gz BPNREONCEDYIPB-APHBMKBZSA-N 2 0 314.395 3.787 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423254990 1027478833 /nfs/dbraw/zinc/47/88/33/1027478833.db2.gz AHCYMXHRXQTVQH-ZIAGYGMSSA-N 2 0 310.869 3.779 20 0 DHADRP CC[C@H](N[C@H](C[NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000423258584 1027479266 /nfs/dbraw/zinc/47/92/66/1027479266.db2.gz CAEBNUWAMVWTLQ-JSGCOSHPSA-N 2 0 300.393 3.702 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423256350 1027479895 /nfs/dbraw/zinc/47/98/95/1027479895.db2.gz BPNREONCEDYIPB-RCBQFDQVSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1c([C@H](C)N[C@@H](C[NH3+])C2CCCCC2)cnn1C(C)(C)C ZINC000423258309 1027479977 /nfs/dbraw/zinc/47/99/77/1027479977.db2.gz BGOXTLPZCMHICV-GUYCJALGSA-N 2 0 306.498 3.505 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)cc1 ZINC000423290903 1027486202 /nfs/dbraw/zinc/48/62/02/1027486202.db2.gz FWSXDBQWXSTTTB-GHMZBOCLSA-N 2 0 308.347 3.974 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423272362 1027489092 /nfs/dbraw/zinc/48/90/92/1027489092.db2.gz HXDZKHOETWAGCI-KRWDZBQOSA-N 2 0 303.494 3.695 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1OC(F)F ZINC000423268401 1027489237 /nfs/dbraw/zinc/48/92/37/1027489237.db2.gz DNNPRSKMHIOPOL-MJVIPROJSA-N 2 0 316.367 3.595 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423268972 1027490824 /nfs/dbraw/zinc/49/08/24/1027490824.db2.gz GRSVPOSHPBVMJD-JEVUSQKCSA-N 2 0 304.478 3.536 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423316373 1027498638 /nfs/dbraw/zinc/49/86/38/1027498638.db2.gz ZZGMHUMXPSLCQM-SWLSCSKDSA-N 2 0 308.878 3.870 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CCCS2 ZINC000423319739 1027499767 /nfs/dbraw/zinc/49/97/67/1027499767.db2.gz DVEASAPPHOMIMG-INIZCTEOSA-N 2 0 320.502 3.602 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423319019 1027499843 /nfs/dbraw/zinc/49/98/43/1027499843.db2.gz LJMCVUGTEZWBMQ-JXFKEZNVSA-N 2 0 316.489 3.680 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(-n2cccn2)cc1 ZINC000423294535 1027500627 /nfs/dbraw/zinc/50/06/27/1027500627.db2.gz UQXOVDLFKXLJEQ-JKSUJKDBSA-N 2 0 320.440 3.743 20 0 DHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cnn1C(C)C ZINC000423296170 1027504548 /nfs/dbraw/zinc/50/45/48/1027504548.db2.gz YMPJCFBKNWNWAU-ZIAGYGMSSA-N 2 0 300.450 3.643 20 0 DHADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CCCC[NH3+] ZINC000423324549 1027507622 /nfs/dbraw/zinc/50/76/22/1027507622.db2.gz KMHWKGVHGQJKNO-KRWDZBQOSA-N 2 0 304.478 3.835 20 0 DHADRP Clc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423348642 1027507874 /nfs/dbraw/zinc/50/78/74/1027507874.db2.gz UTCXVSQPHXXYPE-IBGZPJMESA-N 2 0 312.844 3.939 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423324128 1027507991 /nfs/dbraw/zinc/50/79/91/1027507991.db2.gz IKQUSNVAODVYHA-LBPRGKRZSA-N 2 0 309.523 3.789 20 0 DHADRP COc1cccc([C@@H]([NH2+]CCCC[NH3+])c2ccccc2Cl)c1 ZINC000423323427 1027508437 /nfs/dbraw/zinc/50/84/37/1027508437.db2.gz JKOUUWNEHWDNRL-GOSISDBHSA-N 2 0 318.848 3.767 20 0 DHADRP CC(C)C[C@@H]([NH2+]CCCC[NH3+])c1cccc(Br)c1 ZINC000423329992 1027511511 /nfs/dbraw/zinc/51/15/11/1027511511.db2.gz PHLBUPUTHJNOEY-OAHLLOKOSA-N 2 0 313.283 3.865 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCC[NH3+] ZINC000423328513 1027511879 /nfs/dbraw/zinc/51/18/79/1027511879.db2.gz KQSRGSBJCRBKIY-LLVKDONJSA-N 2 0 307.438 3.647 20 0 DHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000423334770 1027513336 /nfs/dbraw/zinc/51/33/36/1027513336.db2.gz FXYFNRRYGRGZHR-KRWDZBQOSA-N 2 0 322.452 3.836 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC000423352508 1027516479 /nfs/dbraw/zinc/51/64/79/1027516479.db2.gz BHHLPFJJCWPNQV-KRWDZBQOSA-N 2 0 314.429 3.756 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(SCC(F)F)cc1 ZINC000423354282 1027518642 /nfs/dbraw/zinc/51/86/42/1027518642.db2.gz CPMUAVWYZKXMJB-TZMCWYRMSA-N 2 0 314.445 3.837 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423363021 1027519945 /nfs/dbraw/zinc/51/99/45/1027519945.db2.gz AERMAERONVCAGX-YIYPIFLZSA-N 2 0 303.475 3.518 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423360300 1027520086 /nfs/dbraw/zinc/52/00/86/1027520086.db2.gz LFNICOVVLQTHPQ-CABCVRRESA-N 2 0 311.267 3.632 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2c1 ZINC000423363700 1027521091 /nfs/dbraw/zinc/52/10/91/1027521091.db2.gz AFCPFKAUKBEUAO-BFHYXJOUSA-N 2 0 302.418 3.670 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000423356945 1027521836 /nfs/dbraw/zinc/52/18/36/1027521836.db2.gz HQEOSHPOOHVVEY-NUJGCVRESA-N 2 0 320.452 3.592 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423369013 1027524265 /nfs/dbraw/zinc/52/42/65/1027524265.db2.gz DRAXKJYDXDOACT-WCFLWFBJSA-N 2 0 302.340 3.506 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1Cl ZINC000423388044 1027530908 /nfs/dbraw/zinc/53/09/08/1027530908.db2.gz SXJBZAGRTYKNPA-ARFHVFGLSA-N 2 0 324.896 3.926 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423392196 1027532815 /nfs/dbraw/zinc/53/28/15/1027532815.db2.gz LJFBFAIUQXBACM-YQQAZPJKSA-N 2 0 320.477 3.523 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000423395049 1027533385 /nfs/dbraw/zinc/53/33/85/1027533385.db2.gz NCAJEHJNOSCMNC-DVOMOZLQSA-N 2 0 310.869 3.776 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000296075551 1027535287 /nfs/dbraw/zinc/53/52/87/1027535287.db2.gz SIRJOYCYVBSZHW-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423395654 1027535321 /nfs/dbraw/zinc/53/53/21/1027535321.db2.gz NIWWASLIZQIFSK-WQVCFCJDSA-N 2 0 314.395 3.990 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423421816 1027538352 /nfs/dbraw/zinc/53/83/52/1027538352.db2.gz KMOQREYBMCLWAR-RBSFLKMASA-N 2 0 310.432 3.641 20 0 DHADRP COCC1(C[NH2+][C@H](CC(C)C)c2ccccc2C)CC[NH2+]CC1 ZINC000423407175 1027541444 /nfs/dbraw/zinc/54/14/44/1027541444.db2.gz LUKYDUFWELDPDO-LJQANCHMSA-N 2 0 318.505 3.688 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)c1 ZINC000423442614 1027543852 /nfs/dbraw/zinc/54/38/52/1027543852.db2.gz VCVGNYOBDHSNMV-XGXHKWSGSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000423448728 1027544933 /nfs/dbraw/zinc/54/49/33/1027544933.db2.gz VLMULXWGXOKYOH-UHOFOFEASA-N 2 0 304.503 3.666 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423451234 1027547981 /nfs/dbraw/zinc/54/79/81/1027547981.db2.gz IGBWPAXTPWJYGU-BXUZGUMPSA-N 2 0 304.356 3.753 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423459853 1027552852 /nfs/dbraw/zinc/55/28/52/1027552852.db2.gz RLKHABLGFWHEDZ-KBXCAEBGSA-N 2 0 317.864 3.736 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000423461728 1027555908 /nfs/dbraw/zinc/55/59/08/1027555908.db2.gz OFXFJKXBWGXMDZ-PEYYIBSZSA-N 2 0 323.278 3.544 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423460410 1027556248 /nfs/dbraw/zinc/55/62/48/1027556248.db2.gz BBYRWQLEHYQZAB-LZLYRXPVSA-N 2 0 302.462 3.624 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000423471873 1027557444 /nfs/dbraw/zinc/55/74/44/1027557444.db2.gz FOMYVSRTUKRJGG-FXAWDEMLSA-N 2 0 323.484 3.577 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423469594 1027557983 /nfs/dbraw/zinc/55/79/83/1027557983.db2.gz CTVBYISPLJXXEK-WFASDCNBSA-N 2 0 300.368 3.888 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423468639 1027558673 /nfs/dbraw/zinc/55/86/73/1027558673.db2.gz OSQRTNSNYGKPRJ-QEJZJMRPSA-N 2 0 300.368 3.668 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCS2 ZINC000423471066 1027558807 /nfs/dbraw/zinc/55/88/07/1027558807.db2.gz DWECOKAGONATQG-RHSMWYFYSA-N 2 0 320.502 3.744 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1nc(-c2ccccc2)cs1 ZINC000423473301 1027561345 /nfs/dbraw/zinc/56/13/45/1027561345.db2.gz GRVRVCGYWHIZLW-ZBFHGGJFSA-N 2 0 315.486 3.993 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000423489646 1027571924 /nfs/dbraw/zinc/57/19/24/1027571924.db2.gz WQCCWQTXVKXAKO-JXFKEZNVSA-N 2 0 309.457 3.931 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1SC ZINC000423487549 1027572058 /nfs/dbraw/zinc/57/20/58/1027572058.db2.gz UJUVKULHGUEBSY-DZGCQCFKSA-N 2 0 308.491 3.600 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000423497742 1027573957 /nfs/dbraw/zinc/57/39/57/1027573957.db2.gz ZGRUISLCXJUYDP-PVAVHDDUSA-N 2 0 320.477 3.652 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000423494952 1027575295 /nfs/dbraw/zinc/57/52/95/1027575295.db2.gz SXRGWYDUHZPESY-GLQYFDAESA-N 2 0 311.267 3.617 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423491028 1027575302 /nfs/dbraw/zinc/57/53/02/1027575302.db2.gz YPXIFTGMBKVHCH-ZFWWWQNUSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423514988 1027577801 /nfs/dbraw/zinc/57/78/01/1027577801.db2.gz SMEQAPRDLAIPAS-OWCLPIDISA-N 2 0 313.489 3.941 20 0 DHADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423518994 1027578408 /nfs/dbraw/zinc/57/84/08/1027578408.db2.gz CXHNALMXNKNPJB-CHWSQXEVSA-N 2 0 303.475 3.520 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423542706 1027583084 /nfs/dbraw/zinc/58/30/84/1027583084.db2.gz MNSOFKQCGSOCGU-ZQDZILKHSA-N 2 0 324.415 3.635 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccsc2S1 ZINC000423542186 1027584430 /nfs/dbraw/zinc/58/44/30/1027584430.db2.gz LXKKDWSJKNDNQE-ARUSPNSKSA-N 2 0 308.516 3.651 20 0 DHADRP C[C@H](NCCC[NH2+]C1CC1)c1csc(-c2ccccc2)n1 ZINC000423550414 1027586849 /nfs/dbraw/zinc/58/68/49/1027586849.db2.gz IJXZEDPEIFMYPE-ZDUSSCGKSA-N 2 0 301.459 3.603 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[NH2+]C1CC1 ZINC000423545034 1027587121 /nfs/dbraw/zinc/58/71/21/1027587121.db2.gz DNLWZCGYUMSWJW-OAHLLOKOSA-N 2 0 313.489 3.956 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CCC[NH2+]C1CC1)C1CCCC1 ZINC000423572607 1027588417 /nfs/dbraw/zinc/58/84/17/1027588417.db2.gz YJOTZWRHSJVEAQ-LJQANCHMSA-N 2 0 302.462 3.658 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CCSCc3ccccc3)C2)CC1 ZINC000798957314 1027598205 /nfs/dbraw/zinc/59/82/05/1027598205.db2.gz SKEKBJCQNDMAPP-UHFFFAOYSA-N 2 0 318.530 3.728 20 0 DHADRP Cc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000576742248 1027655357 /nfs/dbraw/zinc/65/53/57/1027655357.db2.gz FYFZEKNQYMHMCO-KRWDZBQOSA-N 2 0 306.881 3.812 20 0 DHADRP Cc1cnccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000296511508 1027656612 /nfs/dbraw/zinc/65/66/12/1027656612.db2.gz RMNZXRJORYEVQT-KRWDZBQOSA-N 2 0 323.484 3.912 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)cc1 ZINC000562901663 1027657518 /nfs/dbraw/zinc/65/75/18/1027657518.db2.gz UHWRZGXQCNEJJF-FXAWDEMLSA-N 2 0 316.489 3.537 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000576934982 1027681485 /nfs/dbraw/zinc/68/14/85/1027681485.db2.gz ZDECPAKAIHYMRL-MRXNPFEDSA-N 2 0 314.395 3.992 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000576992310 1027690048 /nfs/dbraw/zinc/69/00/48/1027690048.db2.gz ZWKNXMZKZZUTLN-GOSISDBHSA-N 2 0 302.506 3.847 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000527523636 1027744603 /nfs/dbraw/zinc/74/46/03/1027744603.db2.gz YNJXJPSUVGDPQT-UHFFFAOYSA-N 2 0 304.384 3.976 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170716898 1027798354 /nfs/dbraw/zinc/79/83/54/1027798354.db2.gz ZQBMUQUTJTZAIW-WTGUMLROSA-N 2 0 312.501 3.923 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527652540 1027808334 /nfs/dbraw/zinc/80/83/34/1027808334.db2.gz HLXMANIPDRQMNR-GIUOSPMZSA-N 2 0 312.501 3.575 20 0 DHADRP Cc1cc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)ccn1 ZINC000527694754 1027830057 /nfs/dbraw/zinc/83/00/57/1027830057.db2.gz KLPFBIPRUQXQNM-FQEVSTJZSA-N 2 0 309.457 3.534 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692084 1027831449 /nfs/dbraw/zinc/83/14/49/1027831449.db2.gz ROBVHQCZBQIPQO-LPKWFMKBSA-N 2 0 312.501 3.921 20 0 DHADRP Cc1ccc([C@H](C)Nc2ccc3c(C4C[NH2+]C4)ncn3c2)c(C)c1 ZINC001170726172 1027881755 /nfs/dbraw/zinc/88/17/55/1027881755.db2.gz KYTROCGYKLZKKT-HNNXBMFYSA-N 2 0 320.440 3.811 20 0 DHADRP COc1cccc(Cl)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000577681240 1027881933 /nfs/dbraw/zinc/88/19/33/1027881933.db2.gz NHSGNQMRKUFSSX-HNNXBMFYSA-N 2 0 322.880 3.512 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+]C34CC5([NH3+])C[C@](C)(C3)C[C@@](C)(C5)C4)C[C@@H]21 ZINC001170732132 1027934415 /nfs/dbraw/zinc/93/44/15/1027934415.db2.gz WKWWCZZZCGERSE-CVNRWWOQSA-N 2 0 302.506 3.841 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527913486 1027966396 /nfs/dbraw/zinc/96/63/96/1027966396.db2.gz KLEGARVCPHVZOG-SJKOYZFVSA-N 2 0 310.844 3.788 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000365797492 1028005940 /nfs/dbraw/zinc/00/59/40/1028005940.db2.gz SKMRVFVZAKJMMG-UXHICEINSA-N 2 0 314.473 3.666 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000365797491 1028006838 /nfs/dbraw/zinc/00/68/38/1028006838.db2.gz SKMRVFVZAKJMMG-PMACEKPBSA-N 2 0 314.473 3.666 20 0 DHADRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366183828 1028058064 /nfs/dbraw/zinc/05/80/64/1028058064.db2.gz NTNOQNPUVQSZNK-HNNXBMFYSA-N 2 0 319.399 3.812 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1sccc1Br ZINC000578126450 1028060841 /nfs/dbraw/zinc/06/08/41/1028060841.db2.gz DHGDSGAAZPYSKC-WDEREUQCSA-N 2 0 317.296 3.551 20 0 DHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CCC[NH+]3CCCCC3)C2)c1 ZINC000367044739 1028128145 /nfs/dbraw/zinc/12/81/45/1028128145.db2.gz XRWVREPSSLGLRZ-MJGOQNOKSA-N 2 0 301.478 3.573 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000367091820 1028134557 /nfs/dbraw/zinc/13/45/57/1028134557.db2.gz BFDWXBBWYPZMDG-IBGZPJMESA-N 2 0 316.489 3.576 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC(N4CCc5ccccc5C4)CC3)C[C@@H]21 ZINC001170761310 1028187266 /nfs/dbraw/zinc/18/72/66/1028187266.db2.gz KSRJBKWIKSUACH-MZADTFQBSA-N 2 0 324.512 3.944 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000449031145 1028269247 /nfs/dbraw/zinc/26/92/47/1028269247.db2.gz UMNZYPJTWOGBHQ-GLJUWKHASA-N 2 0 310.432 3.873 20 0 DHADRP C[C@H]([NH2+]C1CC(c2ccccn2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000368031649 1028282856 /nfs/dbraw/zinc/28/28/56/1028282856.db2.gz VLWJWGORELGMLV-KNXWPPODSA-N 2 0 313.489 3.570 20 0 DHADRP CC1CC[NH+](CCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449059663 1028297068 /nfs/dbraw/zinc/29/70/68/1028297068.db2.gz CPUAWKQSDFPFRT-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP CCC(CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[NH+]1CCCC1 ZINC000449073438 1028335937 /nfs/dbraw/zinc/33/59/37/1028335937.db2.gz NBNZINPNURHVMI-QZTJIDSGSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccs3)CC2)CS1 ZINC000368460221 1028357608 /nfs/dbraw/zinc/35/76/08/1028357608.db2.gz AKOBCOKJWXMWSW-RDJZCZTQSA-N 2 0 324.559 3.832 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000579264896 1028365833 /nfs/dbraw/zinc/36/58/33/1028365833.db2.gz KYUMTABTCLFGEH-GOSISDBHSA-N 2 0 320.452 3.677 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000579264897 1028367192 /nfs/dbraw/zinc/36/71/92/1028367192.db2.gz KYUMTABTCLFGEH-SFHVURJKSA-N 2 0 320.452 3.677 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)C1CCOCC1 ZINC000368562025 1028374471 /nfs/dbraw/zinc/37/44/71/1028374471.db2.gz COMPYKUUGMAJFY-YXJHDRRASA-N 2 0 322.518 3.536 20 0 DHADRP C[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000449134263 1028387868 /nfs/dbraw/zinc/38/78/68/1028387868.db2.gz HWASJQCYZHREPY-MRXNPFEDSA-N 2 0 323.569 3.738 20 0 DHADRP Cc1cnc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000449155886 1028409478 /nfs/dbraw/zinc/40/94/78/1028409478.db2.gz CHYZQHLDPGFXFI-BBRMVZONSA-N 2 0 321.515 3.686 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@H]1CCCC[C@H]1C ZINC000449193141 1028430981 /nfs/dbraw/zinc/43/09/81/1028430981.db2.gz VIFFRPILPVTGLK-XIHRTOKZSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC3(CCCC3)CC2)C[C@H](C)O1 ZINC000564410549 1028434893 /nfs/dbraw/zinc/43/48/93/1028434893.db2.gz RSTUDUWNTUVMBB-HDICACEKSA-N 2 0 322.537 3.968 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000369111783 1028445995 /nfs/dbraw/zinc/44/59/95/1028445995.db2.gz ITPHYPLYWCPEPR-XLIONFOSSA-N 2 0 315.505 3.818 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449221074 1028462415 /nfs/dbraw/zinc/46/24/15/1028462415.db2.gz SBXNOBXNWQZGDH-OAHLLOKOSA-N 2 0 300.446 3.828 20 0 DHADRP FC1(F)CCCC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000579664721 1028463405 /nfs/dbraw/zinc/46/34/05/1028463405.db2.gz ZWIZRIISPZKVAH-OAHLLOKOSA-N 2 0 300.437 3.666 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000449237660 1028463835 /nfs/dbraw/zinc/46/38/35/1028463835.db2.gz CJYBNMXOSBTUDL-INIZCTEOSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000449232890 1028472335 /nfs/dbraw/zinc/47/23/35/1028472335.db2.gz JOQBGKAGSDUCHD-PKOBYXMFSA-N 2 0 300.490 3.780 20 0 DHADRP CC(C)(C[NH2+]C1CCC(OC2CCCC2)CC1)C[NH+]1CCCC1 ZINC000449285173 1028510099 /nfs/dbraw/zinc/51/00/99/1028510099.db2.gz QGGLPDWUNHRLPH-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP Cc1cccc(CCN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000564894868 1028516231 /nfs/dbraw/zinc/51/62/31/1028516231.db2.gz DIYPZAPFBJASBI-RBUKOAKNSA-N 2 0 315.505 3.519 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000449265239 1028518065 /nfs/dbraw/zinc/51/80/65/1028518065.db2.gz REYGOUUGDIFSDV-WMZOPIPTSA-N 2 0 324.553 3.806 20 0 DHADRP Cc1cc(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)on1 ZINC000449324276 1028535616 /nfs/dbraw/zinc/53/56/16/1028535616.db2.gz YGBPMGOQNUUAFE-UHFFFAOYSA-N 2 0 321.509 3.794 20 0 DHADRP CC(C)SCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449320540 1028550364 /nfs/dbraw/zinc/55/03/64/1028550364.db2.gz OEBCYKFEOKRLAG-QGZVFWFLSA-N 2 0 320.546 3.813 20 0 DHADRP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449344629 1028556754 /nfs/dbraw/zinc/55/67/54/1028556754.db2.gz RXZPRXPNPYBXML-OXQOHEQNSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000449354205 1028588112 /nfs/dbraw/zinc/58/81/12/1028588112.db2.gz LACNLBWFHCGJEN-YLJYHZDGSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCC3CCOCC3)CC2)C1 ZINC000449354451 1028588298 /nfs/dbraw/zinc/58/82/98/1028588298.db2.gz NPDXEUBZZCKOFI-YLJYHZDGSA-N 2 0 322.537 3.826 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449353954 1028588517 /nfs/dbraw/zinc/58/85/17/1028588517.db2.gz IQLHBMJCFPKRRZ-FGTMMUONSA-N 2 0 322.443 3.922 20 0 DHADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000815647954 1028591395 /nfs/dbraw/zinc/59/13/95/1028591395.db2.gz ZOGSTEAQDSJGPA-LJQANCHMSA-N 2 0 316.489 3.928 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000565610312 1028611221 /nfs/dbraw/zinc/61/12/21/1028611221.db2.gz XZIFACNDGLOSJG-RBUKOAKNSA-N 2 0 310.441 3.625 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676992 1028633874 /nfs/dbraw/zinc/63/38/74/1028633874.db2.gz QADMKANXDUFESC-AEGPPILISA-N 2 0 307.507 3.852 20 0 DHADRP Cc1cc(Cl)cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000565880750 1028646472 /nfs/dbraw/zinc/64/64/72/1028646472.db2.gz WOSSJRHVJLULAB-HZPDHXFCSA-N 2 0 324.896 3.627 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000449481967 1028693915 /nfs/dbraw/zinc/69/39/15/1028693915.db2.gz WXUBMXCUOLLRQC-MRXNPFEDSA-N 2 0 324.896 3.534 20 0 DHADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2CCC2CCCCC2)n1 ZINC000566351111 1028709138 /nfs/dbraw/zinc/70/91/38/1028709138.db2.gz LIPHFAWKXQMZRE-HNNXBMFYSA-N 2 0 320.481 3.588 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000566555743 1028744625 /nfs/dbraw/zinc/74/46/25/1028744625.db2.gz VCFPZPMHBTYQPX-OAHLLOKOSA-N 2 0 316.367 3.550 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC000566571528 1028747905 /nfs/dbraw/zinc/74/79/05/1028747905.db2.gz DPVCDAOHDULQHQ-HOTGVXAUSA-N 2 0 307.441 3.654 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000566629141 1028754292 /nfs/dbraw/zinc/75/42/92/1028754292.db2.gz ANEFTJDKOMVDKU-DTZQCDIJSA-N 2 0 312.379 3.811 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000566629145 1028755482 /nfs/dbraw/zinc/75/54/82/1028755482.db2.gz ANEFTJDKOMVDKU-TUUVXOQKSA-N 2 0 312.379 3.811 20 0 DHADRP Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000566683500 1028764197 /nfs/dbraw/zinc/76/41/97/1028764197.db2.gz KUZGXBXVRDDDHB-HXUWFJFHSA-N 2 0 310.416 3.809 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560280 1028803260 /nfs/dbraw/zinc/80/32/60/1028803260.db2.gz IVNRKZQHYYRXNC-FUDCBSFHSA-N 2 0 312.910 3.937 20 0 DHADRP C[C@H]([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000372688773 1028883668 /nfs/dbraw/zinc/88/36/68/1028883668.db2.gz ICKBJTXVUUOTCG-VWYCLODISA-N 2 0 320.521 3.721 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000628209503 1028939885 /nfs/dbraw/zinc/93/98/85/1028939885.db2.gz IFHZNBYIHJLGCV-GOSISDBHSA-N 2 0 306.519 3.902 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449760907 1028966908 /nfs/dbraw/zinc/96/69/08/1028966908.db2.gz SIVRWAMQEHOXCD-VBSBHUPXSA-N 2 0 322.537 3.967 20 0 DHADRP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567871009 1028967155 /nfs/dbraw/zinc/96/71/55/1028967155.db2.gz GWSABYKSNXNIHD-IYBDPMFKSA-N 2 0 319.518 3.622 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(C)o2)CC1)CC(C)C ZINC000628279986 1028989046 /nfs/dbraw/zinc/98/90/46/1028989046.db2.gz KDZFYGIQCOPZQR-UHFFFAOYSA-N 2 0 307.482 3.563 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000373458611 1029050514 /nfs/dbraw/zinc/05/05/14/1029050514.db2.gz GYUKDFWYRLOWFK-IERDGZPVSA-N 2 0 323.484 3.699 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000628425752 1029053173 /nfs/dbraw/zinc/05/31/73/1029053173.db2.gz UKQFQUROAMVTCK-MJJDPTRDSA-N 2 0 308.416 3.532 20 0 DHADRP CC(CC[NH+](C)Cc1ccoc1)CC[N@H+](C)Cc1ccoc1 ZINC000411184259 1029057494 /nfs/dbraw/zinc/05/74/94/1029057494.db2.gz FBQZJPRTFMUONT-UHFFFAOYSA-N 2 0 304.434 3.853 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000568407791 1029063127 /nfs/dbraw/zinc/06/31/27/1029063127.db2.gz RSFLIWWCHCLTEZ-XLIONFOSSA-N 2 0 324.468 3.604 20 0 DHADRP Cc1ccc2ncc(CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2c1 ZINC000411303348 1029094251 /nfs/dbraw/zinc/09/42/51/1029094251.db2.gz QSNMCVRLJCTSOF-SFHVURJKSA-N 2 0 323.484 3.707 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cnc3ccc(C)cc3c2)C1 ZINC000411303819 1029094399 /nfs/dbraw/zinc/09/43/99/1029094399.db2.gz HLJUUHYWKPQMDU-KRWDZBQOSA-N 2 0 311.473 3.707 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000373642049 1029105815 /nfs/dbraw/zinc/10/58/15/1029105815.db2.gz CSIRTYXIZHGTHX-DOTOQJQBSA-N 2 0 304.453 3.924 20 0 DHADRP C[C@@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568733451 1029120447 /nfs/dbraw/zinc/12/04/47/1029120447.db2.gz QAKJJJFOHAUXPV-HCMQPCSISA-N 2 0 304.453 3.830 20 0 DHADRP C[N@H+](CCc1ccccn1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411412656 1029121347 /nfs/dbraw/zinc/12/13/47/1029121347.db2.gz FTKGMQCHMDIYPL-UHFFFAOYSA-N 2 0 323.484 3.742 20 0 DHADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCCSCC2)c1 ZINC000411414691 1029122818 /nfs/dbraw/zinc/12/28/18/1029122818.db2.gz FPGFDLUNEWBNDQ-UHFFFAOYSA-N 2 0 304.503 3.611 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000568814313 1029130111 /nfs/dbraw/zinc/13/01/11/1029130111.db2.gz BYKZCUKLJDMICS-CVEARBPZSA-N 2 0 306.519 3.659 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000569055302 1029167360 /nfs/dbraw/zinc/16/73/60/1029167360.db2.gz FDOKZJJSUYXXKC-NSHGMRRFSA-N 2 0 323.569 3.740 20 0 DHADRP CO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000411800839 1029214128 /nfs/dbraw/zinc/21/41/28/1029214128.db2.gz NAKTWZUXGVYYSM-PXNSSMCTSA-N 2 0 316.489 3.529 20 0 DHADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817887960 1029264398 /nfs/dbraw/zinc/26/43/98/1029264398.db2.gz HPQBQMFWCXLLAF-XUVXKRRUSA-N 2 0 316.489 3.874 20 0 DHADRP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817908185 1029272496 /nfs/dbraw/zinc/27/24/96/1029272496.db2.gz PUFVZIVABGLWQW-CTNGQTDRSA-N 2 0 322.452 3.649 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)c2ccccc21 ZINC000817922235 1029274563 /nfs/dbraw/zinc/27/45/63/1029274563.db2.gz BVTXCMDCIHFQRW-SVLHEACOSA-N 2 0 322.452 3.551 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000374294315 1029275132 /nfs/dbraw/zinc/27/51/32/1029275132.db2.gz ROGYRYWJFXJYGN-LJQANCHMSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(SC(F)F)cc1 ZINC000817941897 1029284986 /nfs/dbraw/zinc/28/49/86/1029284986.db2.gz SWUYLKIPSFIELA-LLVKDONJSA-N 2 0 300.418 3.652 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817945378 1029288748 /nfs/dbraw/zinc/28/87/48/1029288748.db2.gz ANMQEECTNVHTPF-NEPJUHHUSA-N 2 0 300.418 3.652 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(F)ccc1F ZINC000817949480 1029290416 /nfs/dbraw/zinc/29/04/16/1029290416.db2.gz QLJQKURJFREIBD-GOSISDBHSA-N 2 0 304.384 3.707 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2sccc21 ZINC000817949711 1029292403 /nfs/dbraw/zinc/29/24/03/1029292403.db2.gz SRFRNWNPBXLRAB-DYVFJYSZSA-N 2 0 300.471 3.978 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950576 1029293195 /nfs/dbraw/zinc/29/31/95/1029293195.db2.gz XURDPDKQRUVGQF-FQEVSTJZSA-N 2 0 324.468 3.709 20 0 DHADRP C1CC([C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCOC2)C1 ZINC000925227129 1029311176 /nfs/dbraw/zinc/31/11/76/1029311176.db2.gz BJXWCBRMTQZCAQ-YNIZLOQISA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)CCO2 ZINC000817982673 1029318873 /nfs/dbraw/zinc/31/88/73/1029318873.db2.gz VIJPVUPWLMJRBF-KXBFYZLASA-N 2 0 310.441 3.752 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000570349670 1029355608 /nfs/dbraw/zinc/35/56/08/1029355608.db2.gz UPEZLFZUGIQETQ-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170892496 1029357338 /nfs/dbraw/zinc/35/73/38/1029357338.db2.gz HLKRKMKFQFTGIG-QGZVFWFLSA-N 2 0 320.908 3.909 20 0 DHADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC1([NH3+])CCCCCC1 ZINC000570380653 1029360433 /nfs/dbraw/zinc/36/04/33/1029360433.db2.gz WHRUVQODIHYXKI-OAHLLOKOSA-N 2 0 314.477 3.525 20 0 DHADRP Cc1ccc2ncc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2c1 ZINC000629538589 1029361587 /nfs/dbraw/zinc/36/15/87/1029361587.db2.gz NXBZIBGQZZOZSM-MRXNPFEDSA-N 2 0 309.457 3.507 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629543842 1029364516 /nfs/dbraw/zinc/36/45/16/1029364516.db2.gz CRAPCNDBOZEHBB-CVEARBPZSA-N 2 0 323.843 3.753 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2c1 ZINC000629546008 1029365126 /nfs/dbraw/zinc/36/51/26/1029365126.db2.gz NWTGNKHRUXBKBQ-LJQANCHMSA-N 2 0 323.484 3.755 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000629556577 1029367569 /nfs/dbraw/zinc/36/75/69/1029367569.db2.gz SZPBABBDFDSWIF-GARXJVFOSA-N 2 0 304.865 3.695 20 0 DHADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564905 1029370696 /nfs/dbraw/zinc/37/06/96/1029370696.db2.gz VRGYGFZSRFERNO-AEGPPILISA-N 2 0 300.368 3.515 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000450326083 1029375602 /nfs/dbraw/zinc/37/56/02/1029375602.db2.gz XBRSVNAUTNZTFR-IRXDYDNUSA-N 2 0 314.464 3.866 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170906485 1029417577 /nfs/dbraw/zinc/41/75/77/1029417577.db2.gz GVHJZGVFJDOVEP-QGZVFWFLSA-N 2 0 320.908 3.909 20 0 DHADRP C[NH2+]CC1(c2ccc(-c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000629701232 1029430957 /nfs/dbraw/zinc/43/09/57/1029430957.db2.gz SNUPIMMYKOAUJE-UHFFFAOYSA-N 2 0 324.468 3.545 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000571037904 1029445467 /nfs/dbraw/zinc/44/54/67/1029445467.db2.gz PVSILOYFCVPOTB-QILLFSRXSA-N 2 0 306.469 3.933 20 0 DHADRP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000450419977 1029466163 /nfs/dbraw/zinc/46/61/63/1029466163.db2.gz BHEMFZXLCDNPPH-CVEARBPZSA-N 2 0 300.437 3.762 20 0 DHADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229544 1029554729 /nfs/dbraw/zinc/55/47/29/1029554729.db2.gz NMCKSZDREQLEQL-DCCYDQLOSA-N 2 0 322.537 3.704 20 0 DHADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C2)CC1 ZINC001170941429 1029638808 /nfs/dbraw/zinc/63/88/08/1029638808.db2.gz DSLAADZTCLQASA-MRXNPFEDSA-N 2 0 318.892 3.615 20 0 DHADRP CCc1noc(CC)c1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812198 1029769439 /nfs/dbraw/zinc/76/94/39/1029769439.db2.gz FSWLUPHXENUQCR-AWEZNQCLSA-N 2 0 315.461 3.712 20 0 DHADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820830215 1029777050 /nfs/dbraw/zinc/77/70/50/1029777050.db2.gz PUVOGFGLWNYOLL-UONOGXRCSA-N 2 0 315.461 3.807 20 0 DHADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530218527 1029779939 /nfs/dbraw/zinc/77/99/39/1029779939.db2.gz GQTIDHIMRZCFFB-QUCCMNQESA-N 2 0 323.415 3.892 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215818 1029785364 /nfs/dbraw/zinc/78/53/64/1029785364.db2.gz JISDNEIPYNNMDW-QGZVFWFLSA-N 2 0 321.553 3.540 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]CCC2CC[NH+](CC)CC2)s1 ZINC000121650811 1029811932 /nfs/dbraw/zinc/81/19/32/1029811932.db2.gz DISMDIADRUYIDW-CYBMUJFWSA-N 2 0 309.523 3.787 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392248905 1029815460 /nfs/dbraw/zinc/81/54/60/1029815460.db2.gz SEBANFAQDMLDCC-GFCCVEGCSA-N 2 0 307.507 3.662 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN(C)CC1 ZINC000121796706 1029840454 /nfs/dbraw/zinc/84/04/54/1029840454.db2.gz PSQJPZVSDOWGHS-INIZCTEOSA-N 2 0 308.853 3.546 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000671099115 1029863228 /nfs/dbraw/zinc/86/32/28/1029863228.db2.gz VOPTZCIITZBUEA-IAGOWNOFSA-N 2 0 318.505 3.964 20 0 DHADRP CCOC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000530546211 1029885155 /nfs/dbraw/zinc/88/51/55/1029885155.db2.gz YZSGNASEPBJGEI-RLLQIKCJSA-N 2 0 318.505 3.548 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000865716617 1029985643 /nfs/dbraw/zinc/98/56/43/1029985643.db2.gz BJEKLBLOQQWOQO-UHFFFAOYSA-N 2 0 307.507 3.621 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000865717120 1029986523 /nfs/dbraw/zinc/98/65/23/1029986523.db2.gz PJEBPNLTXAKOLA-UHFFFAOYSA-N 2 0 317.502 3.896 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000865717221 1029986633 /nfs/dbraw/zinc/98/66/33/1029986633.db2.gz SMAVFSRPQBUWTR-UHFFFAOYSA-N 2 0 321.534 3.622 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000865717155 1029986661 /nfs/dbraw/zinc/98/66/61/1029986661.db2.gz QTFCRPWOQOGVHG-UHFFFAOYSA-N 2 0 307.507 3.621 20 0 DHADRP Cc1cnccc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718257 1029986819 /nfs/dbraw/zinc/98/68/19/1029986819.db2.gz WXCDXOPSJPDSBG-UHFFFAOYSA-N 2 0 323.484 3.782 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000865715097 1029987093 /nfs/dbraw/zinc/98/70/93/1029987093.db2.gz JBUNCPMYESOODS-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP c1ccc(C[NH+]2CCC(CC[NH2+]C3CCSCC3)CC2)cc1 ZINC000865720006 1029990548 /nfs/dbraw/zinc/99/05/48/1029990548.db2.gz STHVOKOHLBEDEA-UHFFFAOYSA-N 2 0 318.530 3.774 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000865765520 1030013289 /nfs/dbraw/zinc/01/32/89/1030013289.db2.gz YNXBNMAZTZTWLN-JLVJUDLZSA-N 2 0 306.416 3.960 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000865764827 1030014572 /nfs/dbraw/zinc/01/45/72/1030014572.db2.gz DTSSEONPJQLLJA-PLNGDYQASA-N 2 0 308.416 3.831 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000865765521 1030014882 /nfs/dbraw/zinc/01/48/82/1030014882.db2.gz YNXBNMAZTZTWLN-LQULJDIASA-N 2 0 306.416 3.960 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1(C)C ZINC000865833591 1030049537 /nfs/dbraw/zinc/04/95/37/1030049537.db2.gz JZHWGQFJUBQPNK-RBUKOAKNSA-N 2 0 315.505 3.645 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822582304 1030053952 /nfs/dbraw/zinc/05/39/52/1030053952.db2.gz BDWUGNYFONHLKN-AWEZNQCLSA-N 2 0 307.309 3.624 20 0 DHADRP C1CC([NH2+]C2CC[NH+](C3CCCCC3)CC2)([C@H]2CCCCO2)C1 ZINC000865856358 1030061116 /nfs/dbraw/zinc/06/11/16/1030061116.db2.gz GRWXTBKRJSCAKD-LJQANCHMSA-N 2 0 320.521 3.865 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000530953217 1030099138 /nfs/dbraw/zinc/09/91/38/1030099138.db2.gz VHJDNPSVWYOOSY-MSOLQXFVSA-N 2 0 314.477 3.553 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000530953231 1030099605 /nfs/dbraw/zinc/09/96/05/1030099605.db2.gz SCALAKCFNTXIKI-IRXDYDNUSA-N 2 0 314.477 3.553 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000924583618 1030128660 /nfs/dbraw/zinc/12/86/60/1030128660.db2.gz BPGYNJWEHCDDMM-PMACEKPBSA-N 2 0 318.505 3.679 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1 ZINC000924583937 1030129684 /nfs/dbraw/zinc/12/96/84/1030129684.db2.gz BCBWTXAVPMTKQI-KRWDZBQOSA-N 2 0 311.473 3.644 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cnn(C2CCC2)c1 ZINC000924605221 1030136469 /nfs/dbraw/zinc/13/64/69/1030136469.db2.gz DRZCKDYKVBUCMT-OAHLLOKOSA-N 2 0 312.461 3.521 20 0 DHADRP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000357685581 1030150543 /nfs/dbraw/zinc/15/05/43/1030150543.db2.gz FUBUVCXZXAWKGW-NRFANRHFSA-N 2 0 321.468 3.883 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccns1 ZINC000924657744 1030152929 /nfs/dbraw/zinc/15/29/29/1030152929.db2.gz NNGUXGUZILWKSO-AWEZNQCLSA-N 2 0 303.475 3.834 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924689791 1030159988 /nfs/dbraw/zinc/15/99/88/1030159988.db2.gz YYVITBUXESJZJU-MUYFXNHWSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C2CCC2)c1 ZINC000924687056 1030160712 /nfs/dbraw/zinc/16/07/12/1030160712.db2.gz NQBFPVNPHCOZKA-DLBZAZTESA-N 2 0 318.509 3.913 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)Cc2ccccn2)c1 ZINC000924706718 1030166726 /nfs/dbraw/zinc/16/67/26/1030166726.db2.gz IUTVJFHERYFZLY-KRWDZBQOSA-N 2 0 311.473 3.644 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924712022 1030169148 /nfs/dbraw/zinc/16/91/48/1030169148.db2.gz HTJCINBNQHDVCA-CYBMUJFWSA-N 2 0 303.837 3.647 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000866289527 1030208943 /nfs/dbraw/zinc/20/89/43/1030208943.db2.gz FKTWJJZJYAEWBE-HXUWFJFHSA-N 2 0 324.472 3.680 20 0 DHADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000357844576 1030218356 /nfs/dbraw/zinc/21/83/56/1030218356.db2.gz FYSQMFUHAYQXAQ-GOSISDBHSA-N 2 0 304.478 3.858 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000925008055 1030247315 /nfs/dbraw/zinc/24/73/15/1030247315.db2.gz BCSHDWKTIGFADG-CVEARBPZSA-N 2 0 312.457 3.841 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014338 1030250652 /nfs/dbraw/zinc/25/06/52/1030250652.db2.gz YPKGRURXKQJXBM-SFHVURJKSA-N 2 0 318.480 3.879 20 0 DHADRP CC1CCC(O)(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000357997445 1030272686 /nfs/dbraw/zinc/27/26/86/1030272686.db2.gz CZPRYALOZOYNBU-NUVZVAJJSA-N 2 0 322.537 3.514 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000358011148 1030279901 /nfs/dbraw/zinc/27/99/01/1030279901.db2.gz FFEOEETUXSPFLN-SFHVURJKSA-N 2 0 304.478 3.999 20 0 DHADRP COc1ccnc([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000925207992 1030306021 /nfs/dbraw/zinc/30/60/21/1030306021.db2.gz RRGNMRJWYWBDBO-OAHLLOKOSA-N 2 0 317.477 3.538 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000866468888 1030309495 /nfs/dbraw/zinc/30/94/95/1030309495.db2.gz IDLYNIOEFPMILP-AWEZNQCLSA-N 2 0 309.885 3.896 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000925233849 1030313483 /nfs/dbraw/zinc/31/34/83/1030313483.db2.gz YJDLSBYPLDHHRN-UHFFFAOYSA-N 2 0 322.537 3.682 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000866517623 1030341735 /nfs/dbraw/zinc/34/17/35/1030341735.db2.gz KMTQHRTVOLGUAN-XBMUEBEBSA-N 2 0 301.478 3.775 20 0 DHADRP Cc1c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cnn1C(C)C ZINC000866518053 1030341745 /nfs/dbraw/zinc/34/17/45/1030341745.db2.gz SELNNAYJPRJYHL-MXWWQKGMSA-N 2 0 306.498 3.686 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCCC2 ZINC000151983860 1030371699 /nfs/dbraw/zinc/37/16/99/1030371699.db2.gz RAPLSSQJHILHLA-OALUTQOASA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nc2ccccc2s1 ZINC000925499959 1030377585 /nfs/dbraw/zinc/37/75/85/1030377585.db2.gz VHPXZNPOQJXZFG-XQQFMLRXSA-N 2 0 303.475 3.853 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC001246277121 1030378323 /nfs/dbraw/zinc/37/83/23/1030378323.db2.gz HXIHMUSDRSRROO-NWDGAFQWSA-N 2 0 301.261 3.514 20 0 DHADRP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925546652 1030396857 /nfs/dbraw/zinc/39/68/57/1030396857.db2.gz LYRCGZGILDDVDB-OALUTQOASA-N 2 0 310.441 3.888 20 0 DHADRP [NH3+]CCCCCCC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000866671934 1030421157 /nfs/dbraw/zinc/42/11/57/1030421157.db2.gz CTESOXABFKGQBH-UHFFFAOYSA-N 2 0 308.441 3.578 20 0 DHADRP [NH3+][C@@H]1C[C@@H](N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C12CCC2 ZINC000925628967 1030426600 /nfs/dbraw/zinc/42/66/00/1030426600.db2.gz IFJUJHAVROIDMH-BFHYXJOUSA-N 2 0 316.342 3.679 20 0 DHADRP [NH3+][C@@H]1C[C@H](N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C12CCC2 ZINC000925628970 1030426849 /nfs/dbraw/zinc/42/68/49/1030426849.db2.gz IFJUJHAVROIDMH-MJBXVCDLSA-N 2 0 316.342 3.679 20 0 DHADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000925631392 1030427086 /nfs/dbraw/zinc/42/70/86/1030427086.db2.gz XZQMFOXSSOLVEP-IPMKNSEASA-N 2 0 304.478 3.650 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)ccc1SC ZINC000866705840 1030429097 /nfs/dbraw/zinc/42/90/97/1030429097.db2.gz ILSSBTMBVONSNT-GOSISDBHSA-N 2 0 322.518 3.614 20 0 DHADRP C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925635611 1030429732 /nfs/dbraw/zinc/42/97/32/1030429732.db2.gz STPUKDOAHHFJOJ-HRAATJIYSA-N 2 0 323.484 3.586 20 0 DHADRP Cc1csc([C@H](C)C[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925647740 1030433031 /nfs/dbraw/zinc/43/30/31/1030433031.db2.gz GKFKKDGOIKTDQR-CJNGLKHVSA-N 2 0 303.475 3.625 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C12CCC2 ZINC000925657933 1030443634 /nfs/dbraw/zinc/44/36/34/1030443634.db2.gz VJDQDRQGSYSKFW-TUUVXOQKSA-N 2 0 324.390 3.811 20 0 DHADRP CCO[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925662149 1030446290 /nfs/dbraw/zinc/44/62/90/1030446290.db2.gz YUCOIEGAWCKIEK-VQTJNVASSA-N 2 0 312.457 3.834 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925681619 1030451434 /nfs/dbraw/zinc/45/14/34/1030451434.db2.gz WGZXUBYSSIGEMX-OAGGEKHMSA-N 2 0 300.437 3.570 20 0 DHADRP COc1cc(F)cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925676930 1030451583 /nfs/dbraw/zinc/45/15/83/1030451583.db2.gz UTEJMZWQWAKNPG-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1(Cl)Cl ZINC000925694984 1030455980 /nfs/dbraw/zinc/45/59/80/1030455980.db2.gz VQLJLFSTFXKOLO-ILXRZTDVSA-N 2 0 319.320 3.718 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1(Cl)Cl ZINC000925694987 1030456371 /nfs/dbraw/zinc/45/63/71/1030456371.db2.gz VQLJLFSTFXKOLO-KFWWJZLASA-N 2 0 319.320 3.718 20 0 DHADRP CC(C)(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925718468 1030462308 /nfs/dbraw/zinc/46/23/08/1030462308.db2.gz WRAOMUWPDQQSHD-KGLIPLIRSA-N 2 0 306.416 3.723 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)C1 ZINC000925727555 1030467431 /nfs/dbraw/zinc/46/74/31/1030467431.db2.gz HRGHDJNJXDJWSN-GUDVDZBRSA-N 2 0 315.505 3.679 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000925760815 1030484619 /nfs/dbraw/zinc/48/46/19/1030484619.db2.gz SIRRLZMZDIIBBT-HXUWFJFHSA-N 2 0 324.468 3.988 20 0 DHADRP COc1cccc2c1OCCC[C@@H]2N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925765070 1030487106 /nfs/dbraw/zinc/48/71/06/1030487106.db2.gz DHAWMPIKZLGCNY-SQNIBIBYSA-N 2 0 324.424 3.643 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000925782941 1030495527 /nfs/dbraw/zinc/49/55/27/1030495527.db2.gz BIWJTGBHXBVVHH-NFAWXSAZSA-N 2 0 310.869 3.633 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000925782885 1030496435 /nfs/dbraw/zinc/49/64/35/1030496435.db2.gz MWABUZXZZOCKQI-IKGGRYGDSA-N 2 0 308.416 3.547 20 0 DHADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000925787242 1030498610 /nfs/dbraw/zinc/49/86/10/1030498610.db2.gz ZKGCTELREWNFBI-ZFWWWQNUSA-N 2 0 314.445 3.814 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000824231243 1030501890 /nfs/dbraw/zinc/50/18/90/1030501890.db2.gz LSAAJGFEOZPXLA-QGZVFWFLSA-N 2 0 308.510 3.948 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000558258585 1030503895 /nfs/dbraw/zinc/50/38/95/1030503895.db2.gz OBCKDFBYIOJNLT-NUJGCVRESA-N 2 0 304.478 3.650 20 0 DHADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000925807862 1030506212 /nfs/dbraw/zinc/50/62/12/1030506212.db2.gz KXOCOGNTZQUIGN-AWEZNQCLSA-N 2 0 309.885 3.946 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)c(C)s1 ZINC000925807865 1030506324 /nfs/dbraw/zinc/50/63/24/1030506324.db2.gz KYTSEFXXQGIFQU-ZDUSSCGKSA-N 2 0 309.523 3.971 20 0 DHADRP Cc1c([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)cnn1C(C)C ZINC000925806489 1030506593 /nfs/dbraw/zinc/50/65/93/1030506593.db2.gz DXPBVROHURYJQF-INIZCTEOSA-N 2 0 320.525 3.983 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838543 1030515442 /nfs/dbraw/zinc/51/54/42/1030515442.db2.gz NETLXQVPLWGINA-BZZMCLGOSA-N 2 0 322.443 3.936 20 0 DHADRP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000925840237 1030517639 /nfs/dbraw/zinc/51/76/39/1030517639.db2.gz UTNWAPMCJZBKGQ-ILOCAZANSA-N 2 0 320.427 3.546 20 0 DHADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925886925 1030534745 /nfs/dbraw/zinc/53/47/45/1030534745.db2.gz NGUNPBDBOOBIBY-LZQZEXGQSA-N 2 0 314.498 3.718 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000925888558 1030536556 /nfs/dbraw/zinc/53/65/56/1030536556.db2.gz VPDPVHYRMWKJCT-BSIFCXSSSA-N 2 0 324.468 3.795 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2)C[C@H](C)O1 ZINC000069833262 1030553021 /nfs/dbraw/zinc/55/30/21/1030553021.db2.gz ZVCJBCPREZCNFS-HDICACEKSA-N 2 0 324.468 3.586 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000925973703 1030562725 /nfs/dbraw/zinc/56/27/25/1030562725.db2.gz RUQXKSNAPLKBOG-OALUTQOASA-N 2 0 310.526 3.680 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000558405628 1030563270 /nfs/dbraw/zinc/56/32/70/1030563270.db2.gz WWPKRCNBOBPIDW-UHFFFAOYSA-N 2 0 322.443 3.921 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423776 1030570583 /nfs/dbraw/zinc/57/05/83/1030570583.db2.gz RPGKNOGCJDHYEF-CTNGQTDRSA-N 2 0 321.468 3.665 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CCC2 ZINC000247157085 1030680238 /nfs/dbraw/zinc/68/02/38/1030680238.db2.gz RVGMTZNIGUTPKO-MGPQQGTHSA-N 2 0 307.507 3.545 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000248443676 1030746537 /nfs/dbraw/zinc/74/65/37/1030746537.db2.gz LQFXPENJOQFSMV-JKSUJKDBSA-N 2 0 317.477 3.560 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccnn1C1CCC1 ZINC000926488064 1030760257 /nfs/dbraw/zinc/76/02/57/1030760257.db2.gz SXNAXVLDKBSVMH-MRXNPFEDSA-N 2 0 304.482 3.525 20 0 DHADRP c1ccc([C@H]([NH2+]CCCCC[NH+]2CCCC2)C2CCC2)nc1 ZINC000926488034 1030761802 /nfs/dbraw/zinc/76/18/02/1030761802.db2.gz SKGZRLAWZKBFJP-LJQANCHMSA-N 2 0 301.478 3.779 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926518090 1030780159 /nfs/dbraw/zinc/78/01/59/1030780159.db2.gz HLDURJKBIDLBBH-AEFFLSMTSA-N 2 0 316.489 3.748 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2cccnc2)cc1 ZINC000926560602 1030798346 /nfs/dbraw/zinc/79/83/46/1030798346.db2.gz SQTGKHIYUKTVKV-OAQYLSRUSA-N 2 0 323.484 3.943 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359212658 1030844682 /nfs/dbraw/zinc/84/46/82/1030844682.db2.gz DXCWTXOPGCBSOG-ZDUSSCGKSA-N 2 0 303.475 3.679 20 0 DHADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926679650 1030858249 /nfs/dbraw/zinc/85/82/49/1030858249.db2.gz YSVSECYJQDDKFM-QGZVFWFLSA-N 2 0 324.553 3.784 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926698321 1030869015 /nfs/dbraw/zinc/86/90/15/1030869015.db2.gz ALZJWUFKUVEUCP-VHKYSDTDSA-N 2 0 310.441 3.577 20 0 DHADRP CC(C)[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000359259049 1030869788 /nfs/dbraw/zinc/86/97/88/1030869788.db2.gz GCUFNSPFGXSRPG-KRWDZBQOSA-N 2 0 319.449 3.550 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171093502 1030870965 /nfs/dbraw/zinc/87/09/65/1030870965.db2.gz GQXCJUAZJZVMDG-SFHVURJKSA-N 2 0 306.881 3.660 20 0 DHADRP CC(C)[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000359297297 1030894495 /nfs/dbraw/zinc/89/44/95/1030894495.db2.gz YGYSCGDWCWFMNB-SCTDSRPQSA-N 2 0 303.494 3.736 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171096300 1030906108 /nfs/dbraw/zinc/90/61/08/1030906108.db2.gz UHOYIWWATHPJTN-IBGZPJMESA-N 2 0 320.908 3.909 20 0 DHADRP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000359360610 1030926218 /nfs/dbraw/zinc/92/62/18/1030926218.db2.gz GHSIJMKHCRNRET-IBGZPJMESA-N 2 0 300.446 3.841 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc(C[NH+](C)C)c1 ZINC000926795960 1030932224 /nfs/dbraw/zinc/93/22/24/1030932224.db2.gz CQELMJRERBCUPA-LPHOPBHVSA-N 2 0 316.489 3.606 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c[nH]c21 ZINC000161805773 1030949207 /nfs/dbraw/zinc/94/92/07/1030949207.db2.gz UFPLHCDYGDQRGC-YZVOILCLSA-N 2 0 313.489 3.591 20 0 DHADRP CC[C@@H](c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000558953679 1030967245 /nfs/dbraw/zinc/96/72/45/1030967245.db2.gz LZVZWMGFQWXZTP-FQEVSTJZSA-N 2 0 316.489 3.572 20 0 DHADRP [NH3+]CCCN(Cc1cnc(C2CCC2)s1)Cc1ccccc1 ZINC000359460056 1030977758 /nfs/dbraw/zinc/97/77/58/1030977758.db2.gz QXYZZTRGCFMJSX-UHFFFAOYSA-N 2 0 315.486 3.762 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036446 1031042437 /nfs/dbraw/zinc/04/24/37/1031042437.db2.gz HEXWJCJHMZJOOR-KKXNLOMOSA-N 2 0 315.505 3.789 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)ccc1F ZINC000927038512 1031046828 /nfs/dbraw/zinc/04/68/28/1031046828.db2.gz OYSRHTJBMWYJDQ-ICXUMSERSA-N 2 0 320.452 3.892 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc2cnccc2o1 ZINC000927038279 1031047035 /nfs/dbraw/zinc/04/70/35/1031047035.db2.gz PFDVDFIFTNMPLM-ICXUMSERSA-N 2 0 313.445 3.885 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000321084771 1031056549 /nfs/dbraw/zinc/05/65/49/1031056549.db2.gz FGJQVOUHUZSWBX-AWEZNQCLSA-N 2 0 316.445 3.824 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc(Cl)c3Cl)C[C@@H]21 ZINC000261770383 1031059542 /nfs/dbraw/zinc/05/95/42/1031059542.db2.gz DQRUBGAALHJVIM-INTQDDNPSA-N 2 0 305.274 3.614 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000261760991 1031062415 /nfs/dbraw/zinc/06/24/15/1031062415.db2.gz XTZHGLAFSCUPNR-UHFFFAOYSA-N 2 0 323.484 3.613 20 0 DHADRP CCc1ccc(-c2nc(CN3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261818181 1031068889 /nfs/dbraw/zinc/06/88/89/1031068889.db2.gz PDVVFTIGIVQSLD-GOSISDBHSA-N 2 0 315.486 3.543 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]CCCCn3ccnc3)oc21 ZINC000321404531 1031121775 /nfs/dbraw/zinc/12/17/75/1031121775.db2.gz IMJIUTAJQAVXHG-AWEZNQCLSA-N 2 0 313.401 3.769 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000359911566 1031192047 /nfs/dbraw/zinc/19/20/47/1031192047.db2.gz NXLONKABOUBSIF-GVDBMIGSSA-N 2 0 304.478 3.574 20 0 DHADRP c1ccn(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)c1 ZINC001144238877 1031342246 /nfs/dbraw/zinc/34/22/46/1031342246.db2.gz ZAMXVKQLCDYAGM-UHFFFAOYSA-N 2 0 309.457 3.538 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872023844 1031408448 /nfs/dbraw/zinc/40/84/48/1031408448.db2.gz WDSXAKFVESBHRW-OTWHNJEPSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872027080 1031411369 /nfs/dbraw/zinc/41/13/69/1031411369.db2.gz BUBMVQRNUCJPJE-QUCCMNQESA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2cccs2)CCN1Cc1ccccc1 ZINC000379636688 1031416968 /nfs/dbraw/zinc/41/69/68/1031416968.db2.gz XOCBDUYIFFVILL-DOTOQJQBSA-N 2 0 300.471 3.891 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000360416234 1031417918 /nfs/dbraw/zinc/41/79/18/1031417918.db2.gz FDBPVOFPANQELD-IAGOWNOFSA-N 2 0 309.457 3.741 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCCOC1 ZINC000872053182 1031440111 /nfs/dbraw/zinc/44/01/11/1031440111.db2.gz TWCCZAGZUGYLKD-DCCYDQLOSA-N 2 0 322.537 3.824 20 0 DHADRP COCCC[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536826371 1031448926 /nfs/dbraw/zinc/44/89/26/1031448926.db2.gz LCVJZISEYKPGOB-BJLQDIEVSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000536842182 1031450270 /nfs/dbraw/zinc/45/02/70/1031450270.db2.gz WQEWTNVHLAFPCG-MSOLQXFVSA-N 2 0 317.521 3.771 20 0 DHADRP C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536856018 1031460265 /nfs/dbraw/zinc/46/02/65/1031460265.db2.gz DHHRUEVXCHZXLD-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666857721 1031479808 /nfs/dbraw/zinc/47/98/08/1031479808.db2.gz GSMISFJXGIAEKE-IHPCNDPISA-N 2 0 316.489 3.842 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872093833 1031490315 /nfs/dbraw/zinc/49/03/15/1031490315.db2.gz XHDBJPLZTSUCEI-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000537092428 1031506647 /nfs/dbraw/zinc/50/66/47/1031506647.db2.gz XBRQYIWNXYMQBG-YKCBXCCJSA-N 2 0 300.490 3.599 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000423235668 1031509254 /nfs/dbraw/zinc/50/92/54/1031509254.db2.gz RAEOQGPDCAXYOP-QLOJAFMTSA-N 2 0 312.432 3.969 20 0 DHADRP c1cnc2cccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000872124842 1031515516 /nfs/dbraw/zinc/51/55/16/1031515516.db2.gz VOJYRXUMXMYWEH-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP FC(F)(F)c1cccc(CCCC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666857825 1031535787 /nfs/dbraw/zinc/53/57/87/1031535787.db2.gz KNYJGZGNTOZKJG-MRXNPFEDSA-N 2 0 314.395 3.760 20 0 DHADRP Cc1csc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872155897 1031535981 /nfs/dbraw/zinc/53/59/81/1031535981.db2.gz AGXCDMWLYOIKDA-ZBFHGGJFSA-N 2 0 307.507 3.571 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1coc(-c2cccc(Cl)c2)n1 ZINC000872155691 1031536367 /nfs/dbraw/zinc/53/63/67/1031536367.db2.gz YOJPCHLEBRYIAK-UHFFFAOYSA-N 2 0 321.852 3.946 20 0 DHADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156008 1031538506 /nfs/dbraw/zinc/53/85/06/1031538506.db2.gz CJHGQAUHHVQAPS-SOLBZPMBSA-N 2 0 301.478 3.762 20 0 DHADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000872157248 1031540384 /nfs/dbraw/zinc/54/03/84/1031540384.db2.gz NUWOJAMAJHBEGH-WBVHZDCISA-N 2 0 321.534 3.880 20 0 DHADRP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1)C1CCCC1 ZINC000872157446 1031540976 /nfs/dbraw/zinc/54/09/76/1031540976.db2.gz OQLCWIVDGIZEQY-RHSMWYFYSA-N 2 0 317.477 3.672 20 0 DHADRP Cc1ccoc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000293760019 1031607135 /nfs/dbraw/zinc/60/71/35/1031607135.db2.gz SAJPMZPEFIKCDH-LDLYASANSA-N 2 0 310.441 3.873 20 0 DHADRP Cc1cccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000537457520 1031621860 /nfs/dbraw/zinc/62/18/60/1031621860.db2.gz HDVDHBZWFDWFIK-VQIMIIECSA-N 2 0 324.472 3.703 20 0 DHADRP Cc1cnccc1OC1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872523995 1031622891 /nfs/dbraw/zinc/62/28/91/1031622891.db2.gz XDFOHUIPQSESGR-UHFFFAOYSA-N 2 0 309.413 3.710 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc3c(c2)CCO3)CC1 ZINC000124126745 1031625191 /nfs/dbraw/zinc/62/51/91/1031625191.db2.gz HUMUYMAUKRRADN-SFHVURJKSA-N 2 0 302.462 3.537 20 0 DHADRP COc1cc(Cl)cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC001144489840 1031641080 /nfs/dbraw/zinc/64/10/80/1031641080.db2.gz QOIDSMLFTDJEBN-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP COc1ccc(F)cc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000360984021 1031657578 /nfs/dbraw/zinc/65/75/78/1031657578.db2.gz PNDAPIVDLOOUAN-OAHLLOKOSA-N 2 0 308.441 3.579 20 0 DHADRP C[C@H](c1ccc(F)nc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930077680 1031693604 /nfs/dbraw/zinc/69/36/04/1031693604.db2.gz FBQAWCZAMMRZIF-MRXNPFEDSA-N 2 0 319.468 3.870 20 0 DHADRP c1csc([C@@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873200910 1031758543 /nfs/dbraw/zinc/75/85/43/1031758543.db2.gz NLQVHXWAMUVINZ-AWEZNQCLSA-N 2 0 304.484 3.792 20 0 DHADRP CC(C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(F)c(F)c1 ZINC000873207106 1031759528 /nfs/dbraw/zinc/75/95/28/1031759528.db2.gz QSXIDYTZRYBTNL-UHFFFAOYSA-N 2 0 322.424 3.697 20 0 DHADRP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211118 1031759701 /nfs/dbraw/zinc/75/97/01/1031759701.db2.gz VWYPTHZIYJVCTD-CYBMUJFWSA-N 2 0 318.408 3.557 20 0 DHADRP Cc1cccc(C2([NH2+]Cc3cc4c(s3)CC[NH2+]C4)CCC2)c1 ZINC000873212804 1031760817 /nfs/dbraw/zinc/76/08/17/1031760817.db2.gz AJPSLAHQKYEHTF-UHFFFAOYSA-N 2 0 312.482 3.871 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc2cccnc12 ZINC000873223974 1031764678 /nfs/dbraw/zinc/76/46/78/1031764678.db2.gz VVUAADZQKLQOKU-FQEVSTJZSA-N 2 0 311.473 3.740 20 0 DHADRP c1c(C[NH+]2CCC3(CCSCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873217580 1031765268 /nfs/dbraw/zinc/76/52/68/1031765268.db2.gz OUZMITCIPRNNFK-UHFFFAOYSA-N 2 0 322.543 3.503 20 0 DHADRP COCc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000873231693 1031766485 /nfs/dbraw/zinc/76/64/85/1031766485.db2.gz AENDFPMEFJYNLL-KXBFYZLASA-N 2 0 320.477 3.546 20 0 DHADRP Cc1ncsc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232462 1031767995 /nfs/dbraw/zinc/76/79/95/1031767995.db2.gz QGFOZSCEQPTGSO-GOEBONIOSA-N 2 0 307.507 3.571 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCCc3ccc(Br)cc32)C1 ZINC000873249046 1031771245 /nfs/dbraw/zinc/77/12/45/1031771245.db2.gz HOTUHXIWXYUHAE-PEYYIBSZSA-N 2 0 323.278 3.544 20 0 DHADRP CCC(CC)(C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(F)(F)F ZINC000873247827 1031771435 /nfs/dbraw/zinc/77/14/35/1031771435.db2.gz UXQSUXMFTKMNNY-UKRRQHHQSA-N 2 0 316.411 3.903 20 0 DHADRP FC(F)(F)CCSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000873249406 1031771930 /nfs/dbraw/zinc/77/19/30/1031771930.db2.gz ACSGHIKZNTYTSO-MELADBBJSA-N 2 0 324.456 3.572 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254461 1031774135 /nfs/dbraw/zinc/77/41/35/1031774135.db2.gz UJIRTUFECPQQPA-WCFLWFBJSA-N 2 0 319.449 3.646 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCSCCC(F)(F)F ZINC000873252960 1031774583 /nfs/dbraw/zinc/77/45/83/1031774583.db2.gz SYPGRPHZAPOWMQ-CHWSQXEVSA-N 2 0 312.445 3.572 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000873251806 1031775375 /nfs/dbraw/zinc/77/53/75/1031775375.db2.gz OKJPJIUWRDEOKZ-RZAIGCCYSA-N 2 0 318.823 3.895 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCSCCC(F)(F)F ZINC000873252962 1031775406 /nfs/dbraw/zinc/77/54/06/1031775406.db2.gz SYPGRPHZAPOWMQ-QWHCGFSZSA-N 2 0 312.445 3.572 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254124 1031775604 /nfs/dbraw/zinc/77/56/04/1031775604.db2.gz LJBWUCJRTDJLOY-DUVNUKRYSA-N 2 0 315.486 3.815 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000873251805 1031775829 /nfs/dbraw/zinc/77/58/29/1031775829.db2.gz OKJPJIUWRDEOKZ-OCBCSQNSSA-N 2 0 318.823 3.895 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000873258648 1031777083 /nfs/dbraw/zinc/77/70/83/1031777083.db2.gz TYBOKTOFCKJJLT-RAEVTNRLSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000873257784 1031777498 /nfs/dbraw/zinc/77/74/98/1031777498.db2.gz XLONPPJHFWCQRS-JMSVASOKSA-N 2 0 304.434 3.942 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000873259847 1031779293 /nfs/dbraw/zinc/77/92/93/1031779293.db2.gz NGWWPBFMAWMKKV-RKLWJJNISA-N 2 0 323.278 3.630 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccsc2S1 ZINC000873263293 1031779603 /nfs/dbraw/zinc/77/96/03/1031779603.db2.gz HWTBYIJIGNWSDV-DKBOKBLXSA-N 2 0 308.516 3.794 20 0 DHADRP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873264025 1031780282 /nfs/dbraw/zinc/78/02/82/1031780282.db2.gz MSGADFKLVRLGEB-RJEZFDHBSA-N 2 0 302.437 3.582 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000873270344 1031781470 /nfs/dbraw/zinc/78/14/70/1031781470.db2.gz RFCOWPVDQUQTIG-RYUDHWBXSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000873268327 1031782368 /nfs/dbraw/zinc/78/23/68/1031782368.db2.gz VBAJHSFGXXPGJT-VXGBXAGGSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1sccc1Br)C1CC[NH2+]CC1 ZINC000873267759 1031782395 /nfs/dbraw/zinc/78/23/95/1031782395.db2.gz JBJCRBCFOGCGED-ZJUUUORDSA-N 2 0 317.296 3.549 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000873268208 1031782986 /nfs/dbraw/zinc/78/29/86/1031782986.db2.gz ABZSOYLOFIHMMF-MHDGFBEUSA-N 2 0 312.910 3.871 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000873271747 1031783613 /nfs/dbraw/zinc/78/36/13/1031783613.db2.gz KJACYVJSZPODLX-WFASDCNBSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000873273117 1031783910 /nfs/dbraw/zinc/78/39/10/1031783910.db2.gz YFGUGAPNYWYCLA-MCIONIFRSA-N 2 0 317.502 3.766 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000873272249 1031784648 /nfs/dbraw/zinc/78/46/48/1031784648.db2.gz QWTHAAQGDYTESA-UONOGXRCSA-N 2 0 315.486 3.849 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000873271012 1031785301 /nfs/dbraw/zinc/78/53/01/1031785301.db2.gz CMQUEVJNEDBADT-KBPBESRZSA-N 2 0 315.486 3.849 20 0 DHADRP COc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000845941637 1031785912 /nfs/dbraw/zinc/78/59/12/1031785912.db2.gz GVDBDWDVGZTFQR-UHFFFAOYSA-N 2 0 320.452 3.721 20 0 DHADRP C[C@@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296657 1031792589 /nfs/dbraw/zinc/79/25/89/1031792589.db2.gz KTSLWTRJEHUUEZ-VCTAVGKDSA-N 2 0 321.346 3.896 20 0 DHADRP C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296658 1031793054 /nfs/dbraw/zinc/79/30/54/1031793054.db2.gz KTSLWTRJEHUUEZ-VQISRLSMSA-N 2 0 321.346 3.896 20 0 DHADRP c1noc(C2CC2)c1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000361241697 1031809576 /nfs/dbraw/zinc/80/95/76/1031809576.db2.gz XCHXAXOFOZMUPO-INIZCTEOSA-N 2 0 317.477 3.640 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC1(C)C ZINC000897881966 1031868730 /nfs/dbraw/zinc/86/87/30/1031868730.db2.gz HPOPLYROJVTBLR-BPLDGKMQSA-N 2 0 308.416 3.673 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000846221840 1031932510 /nfs/dbraw/zinc/93/25/10/1031932510.db2.gz RCNNHOKWTHQRIO-OAHLLOKOSA-N 2 0 303.475 3.952 20 0 DHADRP CC[N@H+](CCCCCC[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000846221206 1031933420 /nfs/dbraw/zinc/93/34/20/1031933420.db2.gz INHBMCKESKFTSX-AZUAARDMSA-N 2 0 317.521 3.663 20 0 DHADRP C[C@@H](COc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000772951622 1032045609 /nfs/dbraw/zinc/04/56/09/1032045609.db2.gz USCLWGIMJZKMQE-KRWDZBQOSA-N 2 0 316.489 3.841 20 0 DHADRP CSCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361675660 1032047731 /nfs/dbraw/zinc/04/77/31/1032047731.db2.gz NNYBTLMJNMRCEJ-RBUKOAKNSA-N 2 0 318.530 3.726 20 0 DHADRP CSCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361675661 1032049091 /nfs/dbraw/zinc/04/90/91/1032049091.db2.gz NNYBTLMJNMRCEJ-RTBURBONSA-N 2 0 318.530 3.726 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534155 1032056680 /nfs/dbraw/zinc/05/66/80/1032056680.db2.gz WZYACFWESYKGQN-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172644698 1033302683 /nfs/dbraw/zinc/30/26/83/1033302683.db2.gz XWNFTKOXDCTNKL-IYBDPMFKSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000136301518 1033303992 /nfs/dbraw/zinc/30/39/92/1033303992.db2.gz YUNTVQRPMWIYPV-UHFFFAOYSA-N 2 0 311.351 3.732 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716145 1033324294 /nfs/dbraw/zinc/32/42/94/1033324294.db2.gz LSVKWTFCYISEES-GOSISDBHSA-N 2 0 320.908 3.907 20 0 DHADRP COCC[N@H+](C1CCN(C)CC1)C1CCC2(CCCC2)CC1 ZINC001172728990 1033332368 /nfs/dbraw/zinc/33/23/68/1033332368.db2.gz NPBIFROMWUQDJQ-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927033186 1033371311 /nfs/dbraw/zinc/37/13/11/1033371311.db2.gz RJJHUUNYGLEUON-VYDXJSESSA-N 2 0 322.518 3.562 20 0 DHADRP CN1CCC[C@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824952 1033387963 /nfs/dbraw/zinc/38/79/63/1033387963.db2.gz LUVOTKQQBBAWBP-MAHYXTOZSA-N 2 0 312.501 3.814 20 0 DHADRP Clc1cc([C@H](NC2CC[NH+](CC3CC3)CC2)C2CC2)ccn1 ZINC001168360490 1033392385 /nfs/dbraw/zinc/39/23/85/1033392385.db2.gz RBFKNNYPQCTOHH-GOSISDBHSA-N 2 0 319.880 3.650 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1F ZINC000927036732 1033403621 /nfs/dbraw/zinc/40/36/21/1033403621.db2.gz FNEJCZPDRKXOOY-ASFAAARLSA-N 2 0 320.452 3.892 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001172858292 1033429001 /nfs/dbraw/zinc/42/90/01/1033429001.db2.gz FLSONDRXKXSUKQ-VEAWUBTESA-N 2 0 312.860 3.907 20 0 DHADRP CC(C)C[N@@H+](Cc1cccnc1Cl)CC1CC[NH+](C)CC1 ZINC000877767924 1033441732 /nfs/dbraw/zinc/44/17/32/1033441732.db2.gz ZDJJFUCZVIXFJD-UHFFFAOYSA-N 2 0 309.885 3.535 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535449 1033465227 /nfs/dbraw/zinc/46/52/27/1033465227.db2.gz MOBKZHUXICSEQV-GOEBONIOSA-N 2 0 324.921 3.942 20 0 DHADRP CC(C)[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1F ZINC000643535421 1033466442 /nfs/dbraw/zinc/46/64/42/1033466442.db2.gz MDSCJWRHKKZPLT-JKSUJKDBSA-N 2 0 310.844 3.908 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001172929660 1033472123 /nfs/dbraw/zinc/47/21/23/1033472123.db2.gz ORMPUYTWVBARMP-DLBZAZTESA-N 2 0 322.880 3.547 20 0 DHADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc2cc(Cl)ccc2o1 ZINC000643537078 1033474824 /nfs/dbraw/zinc/47/48/24/1033474824.db2.gz YUPKIFVGKDLMGJ-ZBEGNZNMSA-N 2 0 304.821 3.879 20 0 DHADRP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3CCC[C@@H](OC)C3)CC2)CC1 ZINC001172950289 1033491840 /nfs/dbraw/zinc/49/18/40/1033491840.db2.gz MFRKNZKSAZKUFW-WOJBJXKFSA-N 2 0 322.537 3.778 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)c1 ZINC000924707599 1033501960 /nfs/dbraw/zinc/50/19/60/1033501960.db2.gz NAVJYCGVGLZBRI-WOJBJXKFSA-N 2 0 318.505 3.679 20 0 DHADRP C1CCC([NH+]2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)C1 ZINC001173042806 1033507553 /nfs/dbraw/zinc/50/75/53/1033507553.db2.gz MCWISXKFZOFVIF-UHFFFAOYSA-N 2 0 320.521 3.722 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173051026 1033513499 /nfs/dbraw/zinc/51/34/99/1033513499.db2.gz HONXTLZPWWPSIU-UHFFFAOYSA-N 2 0 320.521 3.534 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1SC ZINC000152453530 1033523654 /nfs/dbraw/zinc/52/36/54/1033523654.db2.gz KHCLEPJHGHJNGY-KGLIPLIRSA-N 2 0 320.502 3.552 20 0 DHADRP CCCOC1CCC([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001173094319 1033524329 /nfs/dbraw/zinc/52/43/29/1033524329.db2.gz VBAATDAKQAPWIM-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173082442 1033533926 /nfs/dbraw/zinc/53/39/26/1033533926.db2.gz MDLMKRPSMGZLGM-ZDUSSCGKSA-N 2 0 318.383 3.575 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000877971400 1033537694 /nfs/dbraw/zinc/53/76/94/1033537694.db2.gz XTEXDQLQSBECOP-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001173101653 1033540222 /nfs/dbraw/zinc/54/02/22/1033540222.db2.gz MZLBYODDTJXOMC-MHJFOBGBSA-N 2 0 317.521 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC001173101389 1033540942 /nfs/dbraw/zinc/54/09/42/1033540942.db2.gz IFZCKUYYRGLJPN-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCC(=O)c2ccccc2)CC1 ZINC001173104559 1033542421 /nfs/dbraw/zinc/54/24/21/1033542421.db2.gz RTSLHHYRDKLHSD-UHFFFAOYSA-N 2 0 302.462 3.502 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC001173105355 1033542508 /nfs/dbraw/zinc/54/25/08/1033542508.db2.gz RBOFMRYVLJJXBB-UHFFFAOYSA-N 2 0 313.489 3.921 20 0 DHADRP CC[NH+](CC)C1CCC(N2CC[C@H]([NH3+])c3ccccc32)CC1 ZINC001173104795 1033542657 /nfs/dbraw/zinc/54/26/57/1033542657.db2.gz VVLQESKENRBHCQ-HTWSVDAQSA-N 2 0 301.478 3.550 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC001173104611 1033543030 /nfs/dbraw/zinc/54/30/30/1033543030.db2.gz JMTPTGVMFUPGGM-FAEJEUNOSA-N 2 0 304.478 3.999 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC001173104291 1033543357 /nfs/dbraw/zinc/54/33/57/1033543357.db2.gz GQEATIMIIACFPD-UHFFFAOYSA-N 2 0 314.395 3.847 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC001173104435 1033543646 /nfs/dbraw/zinc/54/36/46/1033543646.db2.gz PBJZPKNTCWERQS-FAFZWHIHSA-N 2 0 301.478 3.775 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC001173108147 1033544967 /nfs/dbraw/zinc/54/49/67/1033544967.db2.gz YPTHZWYZYZZCMX-UHYCVJNDSA-N 2 0 316.489 3.925 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC001173107016 1033545988 /nfs/dbraw/zinc/54/59/88/1033545988.db2.gz UQOAOTNLHOYUOF-LMDPOFIKSA-N 2 0 300.490 3.959 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC001173107425 1033546365 /nfs/dbraw/zinc/54/63/65/1033546365.db2.gz QWQMTFFFFCTAMH-ZLPCBKJTSA-N 2 0 304.478 3.566 20 0 DHADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878048463 1033566570 /nfs/dbraw/zinc/56/65/70/1033566570.db2.gz ANESLNNIANSHFM-RBUKOAKNSA-N 2 0 320.521 3.676 20 0 DHADRP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878050343 1033568113 /nfs/dbraw/zinc/56/81/13/1033568113.db2.gz UEFQZICBPZQTOV-ZGXWSNOMSA-N 2 0 320.521 3.532 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878105995 1033580368 /nfs/dbraw/zinc/58/03/68/1033580368.db2.gz FDJIFUAYRKRSBV-QYZOEREBSA-N 2 0 320.521 3.675 20 0 DHADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000878119824 1033586857 /nfs/dbraw/zinc/58/68/57/1033586857.db2.gz CBYVIHFZUPNVFQ-IAGOWNOFSA-N 2 0 308.510 3.530 20 0 DHADRP C[NH+]1CCN(c2cccc(Nc3cc[nH+]c(C(C)(C)C)c3)c2)CC1 ZINC001212711828 1033587961 /nfs/dbraw/zinc/58/79/61/1033587961.db2.gz VKEMYUKXPYBWAC-UHFFFAOYSA-N 2 0 324.472 3.875 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(Oc3ccccc3)CC1)C2 ZINC001173197528 1033589152 /nfs/dbraw/zinc/58/91/52/1033589152.db2.gz GZTNZPXLLCEWKK-HUIPDEQOSA-N 2 0 314.473 3.591 20 0 DHADRP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C1 ZINC001173269431 1033638631 /nfs/dbraw/zinc/63/86/31/1033638631.db2.gz IMKQNLXBRFDLHY-DOTOQJQBSA-N 2 0 304.453 3.740 20 0 DHADRP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C1 ZINC001173270208 1033640633 /nfs/dbraw/zinc/64/06/33/1033640633.db2.gz MJCZELAHZPVDKH-MAUKXSAKSA-N 2 0 304.453 3.740 20 0 DHADRP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(C)(C)O1 ZINC000878287128 1033650006 /nfs/dbraw/zinc/65/00/06/1033650006.db2.gz XCHWQLUZFUXTCY-LZLYRXPVSA-N 2 0 320.521 3.529 20 0 DHADRP CCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001173292863 1033651073 /nfs/dbraw/zinc/65/10/73/1033651073.db2.gz RXRQMDVNVJSBFI-SJLPKXTDSA-N 2 0 306.519 3.630 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000553395665 1033681076 /nfs/dbraw/zinc/68/10/76/1033681076.db2.gz MUNGAENGIXVDOK-HNNXBMFYSA-N 2 0 320.452 3.751 20 0 DHADRP CCSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001173291045 1033681549 /nfs/dbraw/zinc/68/15/49/1033681549.db2.gz JRPAGGOIDXQPJB-WZGPROSRSA-N 2 0 318.530 3.628 20 0 DHADRP CCC[N@@H+]1CC[C@H](CN[C@@H](c2cc(F)ccc2F)C(C)C)C1 ZINC000479341906 1033728271 /nfs/dbraw/zinc/72/82/71/1033728271.db2.gz GNRIXODELMYONK-RDTXWAMCSA-N 2 0 310.432 3.983 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476612 1033737437 /nfs/dbraw/zinc/73/74/37/1033737437.db2.gz QFLUCROHAULXTQ-UHFFFAOYSA-N 2 0 322.443 3.675 20 0 DHADRP c1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000667492521 1033765519 /nfs/dbraw/zinc/76/55/19/1033765519.db2.gz LVHAGVWQMHZTBX-IBGZPJMESA-N 2 0 304.397 3.604 20 0 DHADRP Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667503152 1033787156 /nfs/dbraw/zinc/78/71/56/1033787156.db2.gz AWNOELIVYLWDCY-FQEVSTJZSA-N 2 0 318.424 3.913 20 0 DHADRP CCCCO[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000479518782 1033796489 /nfs/dbraw/zinc/79/64/89/1033796489.db2.gz SFOYXHXSZJDWMK-FOIPXRHGSA-N 2 0 308.510 3.577 20 0 DHADRP c1ccc2nc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cnc2c1 ZINC000862283516 1033808645 /nfs/dbraw/zinc/80/86/45/1033808645.db2.gz JAKHXBBRRJMQEV-UHFFFAOYSA-N 2 0 324.472 3.517 20 0 DHADRP C[NH+](C)C1CC[NH+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173686398 1033830595 /nfs/dbraw/zinc/83/05/95/1033830595.db2.gz OKKRLKZHEQQFKM-UHFFFAOYSA-N 2 0 312.501 3.839 20 0 DHADRP COc1cccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000479595729 1033835111 /nfs/dbraw/zinc/83/51/11/1033835111.db2.gz WNQIDAQUCXFEHT-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP CC[NH+]1C[C@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173690900 1033835467 /nfs/dbraw/zinc/83/54/67/1033835467.db2.gz CJLQDPXJFSZQJV-YDPTZXBUSA-N 2 0 324.512 3.697 20 0 DHADRP C[NH+]1CC2(C1)CC[NH+](C1CCC3(CCc4ccccc43)CC1)CC2 ZINC001173692161 1033836968 /nfs/dbraw/zinc/83/69/68/1033836968.db2.gz RDCKWOHIKSHHRZ-UHFFFAOYSA-N 2 0 324.512 3.841 20 0 DHADRP C[NH+]1CCC2(C[NH+](C3CCC4(CCc5ccccc54)CC3)C2)CC1 ZINC001173692504 1033837556 /nfs/dbraw/zinc/83/75/56/1033837556.db2.gz XYIUZIWQMDYERU-UHFFFAOYSA-N 2 0 324.512 3.841 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000667543814 1033883040 /nfs/dbraw/zinc/88/30/40/1033883040.db2.gz MEVLMJOQFDOCME-UHFFFAOYSA-N 2 0 320.452 3.531 20 0 DHADRP CC(C)c1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001173893809 1033926636 /nfs/dbraw/zinc/92/66/36/1033926636.db2.gz OPKQLWVQHZQLBM-UHFFFAOYSA-N 2 0 310.445 3.700 20 0 DHADRP C[C@@H](NCC1([NH3+])CCOCC1)c1ccccc1SC(C)(C)C ZINC000863542775 1034123148 /nfs/dbraw/zinc/12/31/48/1034123148.db2.gz ZBISIHYXQNAYOP-CQSZACIVSA-N 2 0 322.518 3.736 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863546586 1034125825 /nfs/dbraw/zinc/12/58/25/1034125825.db2.gz GLXQOPXJIQFIHY-KZULUSFZSA-N 2 0 315.848 3.840 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863547967 1034126357 /nfs/dbraw/zinc/12/63/57/1034126357.db2.gz SQQUAUQSXNJTGT-WFASDCNBSA-N 2 0 307.388 3.514 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 ZINC000480242431 1034148946 /nfs/dbraw/zinc/14/89/46/1034148946.db2.gz PXXRYSCMDFTTOJ-QINHECLXSA-N 2 0 316.489 3.574 20 0 DHADRP C[NH2+]C[C@@H](O)c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000863679917 1034175477 /nfs/dbraw/zinc/17/54/77/1034175477.db2.gz MNYQFZXOUMVDRQ-OAQYLSRUSA-N 2 0 324.468 3.592 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccsc1 ZINC000178187537 1034216635 /nfs/dbraw/zinc/21/66/35/1034216635.db2.gz WMROKPHUTWLPQW-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP Cc1ccc(C[C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000554585449 1034228562 /nfs/dbraw/zinc/22/85/62/1034228562.db2.gz UABJSOSHVUCTMU-WOJBJXKFSA-N 2 0 300.490 3.734 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000480608223 1034340466 /nfs/dbraw/zinc/34/04/66/1034340466.db2.gz BYVJWZLHZHSVFF-BEFAXECRSA-N 2 0 304.453 3.915 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(CO)c1 ZINC000183212217 1034363117 /nfs/dbraw/zinc/36/31/17/1034363117.db2.gz PWZNCMYHAPVIHC-QGZVFWFLSA-N 2 0 324.468 3.626 20 0 DHADRP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000927159691 1034364575 /nfs/dbraw/zinc/36/45/75/1034364575.db2.gz QCUFMLUZVNWAFX-YJBOKZPZSA-N 2 0 302.462 3.501 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000554861814 1034370883 /nfs/dbraw/zinc/37/08/83/1034370883.db2.gz SCMOWONOLLDJSX-ZIAGYGMSSA-N 2 0 314.395 3.740 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1)CC1CC1 ZINC000480884311 1034494477 /nfs/dbraw/zinc/49/44/77/1034494477.db2.gz XFBJHDJAGFJHSQ-LJQANCHMSA-N 2 0 322.537 3.778 20 0 DHADRP COCCC1(C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCCCC1 ZINC000480920566 1034510312 /nfs/dbraw/zinc/51/03/12/1034510312.db2.gz LZFCAZNYJBSZRM-UHFFFAOYSA-N 2 0 310.526 3.685 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168032 1034537595 /nfs/dbraw/zinc/53/75/95/1034537595.db2.gz OWZAXYSLPDTDLF-IHPCNDPISA-N 2 0 300.490 3.890 20 0 DHADRP Cc1cccc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000481078288 1034577764 /nfs/dbraw/zinc/57/77/64/1034577764.db2.gz QXSHOAMHDVSHHH-HXUWFJFHSA-N 2 0 300.490 3.735 20 0 DHADRP CC1(C)CC([NH2+]Cc2cnc3c(F)cccc3c2)CC(C)(C)[NH2+]1 ZINC000865403744 1034627369 /nfs/dbraw/zinc/62/73/69/1034627369.db2.gz NYHDRHOPVDMDAQ-UHFFFAOYSA-N 2 0 315.436 3.773 20 0 DHADRP Cc1ccc(Cl)c(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c1F ZINC001168365640 1034665174 /nfs/dbraw/zinc/66/51/74/1034665174.db2.gz BGPVOBYGMDZJSN-UHFFFAOYSA-N 2 0 324.871 3.794 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186846630 1034667561 /nfs/dbraw/zinc/66/75/61/1034667561.db2.gz QDYNADIJCRNXBC-BFJAYTPKSA-N 2 0 314.395 3.651 20 0 DHADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192516843 1034808817 /nfs/dbraw/zinc/80/88/17/1034808817.db2.gz ZUKAANXMRCTONE-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP CCCn1nccc1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000667966297 1035002378 /nfs/dbraw/zinc/00/23/78/1035002378.db2.gz DKYGKEQSDAWIHI-UHFFFAOYSA-N 2 0 320.525 3.627 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@@H](C)C1 ZINC000482003807 1035043228 /nfs/dbraw/zinc/04/32/28/1035043228.db2.gz VSFSBMGZQPECAS-JXFKEZNVSA-N 2 0 313.489 3.947 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062193 1035052666 /nfs/dbraw/zinc/05/26/66/1035052666.db2.gz QWYIBGDTWQXZRX-IXMFHKDUSA-N 2 0 324.871 3.986 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)C(F)(F)F ZINC000482313566 1035083955 /nfs/dbraw/zinc/08/39/55/1035083955.db2.gz VFDGKKZAYGBZQG-FMKPAKJESA-N 2 0 314.395 3.685 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000482330907 1035084936 /nfs/dbraw/zinc/08/49/36/1035084936.db2.gz JDVPLIUTJIEGQF-IQUTYRLHSA-N 2 0 313.489 3.911 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CCCC2CCOCC2)CC1 ZINC001175759076 1035110536 /nfs/dbraw/zinc/11/05/36/1035110536.db2.gz VPAPVUPOBPXWBG-UHFFFAOYSA-N 2 0 322.537 3.924 20 0 DHADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000482864817 1035188027 /nfs/dbraw/zinc/18/80/27/1035188027.db2.gz BOIRWAVTXPAXBJ-RTBURBONSA-N 2 0 310.526 3.562 20 0 DHADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccncc2s1 ZINC000668166229 1035202074 /nfs/dbraw/zinc/20/20/74/1035202074.db2.gz VAJJPXYOCNVHNN-UHFFFAOYSA-N 2 0 303.475 3.604 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOc2cc(C)cc(C)c2)C1 ZINC000483059579 1035222257 /nfs/dbraw/zinc/22/22/57/1035222257.db2.gz MLBAINDQVFYHOH-LJQANCHMSA-N 2 0 318.505 3.736 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(OC)c1 ZINC000483209750 1035241227 /nfs/dbraw/zinc/24/12/27/1035241227.db2.gz ZNDDKECYEYIRES-KSSFIOAISA-N 2 0 322.493 3.721 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000483208648 1035241724 /nfs/dbraw/zinc/24/17/24/1035241724.db2.gz ZBAUBTDVAHICRJ-AEFFLSMTSA-N 2 0 304.478 3.639 20 0 DHADRP COC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CCCC1 ZINC000483299429 1035254042 /nfs/dbraw/zinc/25/40/42/1035254042.db2.gz UYCNRIFYFPMGPL-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000483820994 1035301500 /nfs/dbraw/zinc/30/15/00/1035301500.db2.gz MHTJARBMSIKPHG-KRWDZBQOSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000484172735 1035322370 /nfs/dbraw/zinc/32/23/70/1035322370.db2.gz WCISFUUMLWUGKK-JKSUJKDBSA-N 2 0 306.519 3.880 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001206292911 1035348515 /nfs/dbraw/zinc/34/85/15/1035348515.db2.gz FPUQKSCRAXNWOB-HNNXBMFYSA-N 2 0 301.261 3.944 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001206293468 1035349575 /nfs/dbraw/zinc/34/95/75/1035349575.db2.gz HWRPHCHKRYRPTP-INIZCTEOSA-N 2 0 314.395 3.699 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CC(C)(C)c2ccccc2)C1 ZINC001177294382 1035360004 /nfs/dbraw/zinc/36/00/04/1035360004.db2.gz IVZVJWGJTBEDRH-HDICACEKSA-N 2 0 302.506 3.922 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(F)ccc1N(C)C ZINC001177299207 1035361098 /nfs/dbraw/zinc/36/10/98/1035361098.db2.gz LUFOSIBHTJXBKH-INIZCTEOSA-N 2 0 321.484 3.636 20 0 DHADRP C[C@H](C[NH2+]Cc1cccc(-c2cccnc2)c1)C[NH+]1CCCCC1 ZINC001177416320 1035369694 /nfs/dbraw/zinc/36/96/94/1035369694.db2.gz MWMKEOXAMDNMQK-GOSISDBHSA-N 2 0 323.484 3.960 20 0 DHADRP CC(C)(C[NH2+]C1CC(C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000904365870 1035408095 /nfs/dbraw/zinc/40/80/95/1035408095.db2.gz AVBWYOJQZJAFLN-UHFFFAOYSA-N 2 0 301.261 3.598 20 0 DHADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC001177784185 1035391767 /nfs/dbraw/zinc/39/17/67/1035391767.db2.gz KPSLIJNVOUKOHD-LPHOPBHVSA-N 2 0 318.505 3.584 20 0 DHADRP C[C@@H](CC[NH2+]C1CC(C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000904359892 1035403624 /nfs/dbraw/zinc/40/36/24/1035403624.db2.gz GPMOIZXLFUULKC-BZUNDVKYSA-N 2 0 300.368 3.526 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1 ZINC000904354411 1035403736 /nfs/dbraw/zinc/40/37/36/1035403736.db2.gz XMNYYNHCRSMAQL-UHFFFAOYSA-N 2 0 308.347 3.554 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(SC(F)(F)F)c1 ZINC000904386345 1035409742 /nfs/dbraw/zinc/40/97/42/1035409742.db2.gz WYBZPUWZLOPPCQ-FOGDFJRCSA-N 2 0 304.381 3.686 20 0 DHADRP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)s2)cc1 ZINC000904411452 1035411261 /nfs/dbraw/zinc/41/12/61/1035411261.db2.gz NIMLRPWYUBGUJJ-GOEBONIOSA-N 2 0 315.486 3.535 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000195134315 1035415043 /nfs/dbraw/zinc/41/50/43/1035415043.db2.gz RVUPXNCLVIXSRY-SJLPKXTDSA-N 2 0 312.432 3.998 20 0 DHADRP Cc1ccc(C)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904476971 1035418721 /nfs/dbraw/zinc/41/87/21/1035418721.db2.gz VQRGDWKUFKIRBJ-CTNGQTDRSA-N 2 0 322.452 3.649 20 0 DHADRP CC(C)(C)Oc1ccccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206327752 1035428163 /nfs/dbraw/zinc/42/81/63/1035428163.db2.gz XASXKILSGUFJOM-IBGZPJMESA-N 2 0 304.478 3.815 20 0 DHADRP C[C@@H]1C[N@H+](CCC[NH2+]CC2CCC(C(C)(C)C)CC2)CCCO1 ZINC001178472830 1035430567 /nfs/dbraw/zinc/43/05/67/1035430567.db2.gz IGMWXCWISNBYFR-LMDPOFIKSA-N 2 0 324.553 3.929 20 0 DHADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC001178518955 1035433052 /nfs/dbraw/zinc/43/30/52/1035433052.db2.gz FYXQCWOOWCJSHW-RTBURBONSA-N 2 0 302.506 3.964 20 0 DHADRP Fc1cccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001178611382 1035439702 /nfs/dbraw/zinc/43/97/02/1035439702.db2.gz YHXSPIBAQMCFTE-MRSBXDGLSA-N 2 0 324.443 3.951 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000568747223 1035458267 /nfs/dbraw/zinc/45/82/67/1035458267.db2.gz GOVLQHCYFFSAST-LJQANCHMSA-N 2 0 320.452 3.607 20 0 DHADRP COc1cc(C)c(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(C)c1 ZINC000904874210 1035465097 /nfs/dbraw/zinc/46/50/97/1035465097.db2.gz BAQQNIGJYOEMHO-UHFFFAOYSA-N 2 0 324.468 3.902 20 0 DHADRP c1cc(OCC2CC2)ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC001179316316 1035474357 /nfs/dbraw/zinc/47/43/57/1035474357.db2.gz SPBIVGIZPLSMSL-LJQANCHMSA-N 2 0 314.473 3.582 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2cccc(F)c2)(c2ccccc2)CC1 ZINC001179369901 1035476043 /nfs/dbraw/zinc/47/60/43/1035476043.db2.gz OFQXHEYMFWAWLC-UHFFFAOYSA-N 2 0 312.432 3.579 20 0 DHADRP CCC(CC)(CC)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668441778 1035483762 /nfs/dbraw/zinc/48/37/62/1035483762.db2.gz WZAACJHXEKFEJY-UHFFFAOYSA-N 2 0 310.526 3.683 20 0 DHADRP Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1C ZINC000069711497 1035498767 /nfs/dbraw/zinc/49/87/67/1035498767.db2.gz PXGLQCZXZZFSBW-UHFFFAOYSA-N 2 0 312.457 3.534 20 0 DHADRP c1ccc2c(c1)CO[C@@H]2C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001179798635 1035505621 /nfs/dbraw/zinc/50/56/21/1035505621.db2.gz BSHPOGGLHMPPOB-HXUWFJFHSA-N 2 0 314.473 3.645 20 0 DHADRP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001179829749 1035506675 /nfs/dbraw/zinc/50/66/75/1035506675.db2.gz HVEYZMYXQTUUPN-KRWDZBQOSA-N 2 0 311.473 3.959 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189560720 1035551932 /nfs/dbraw/zinc/55/19/32/1035551932.db2.gz TZHKZQHVMZUKNM-HKUYNNGSSA-N 2 0 308.510 3.532 20 0 DHADRP C[N@@H+](Cc1ccccc1CC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC001179993065 1035556866 /nfs/dbraw/zinc/55/68/66/1035556866.db2.gz FVXBNWDHQLBVQH-AWEZNQCLSA-N 2 0 314.395 3.565 20 0 DHADRP CCOc1cccc(F)c1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC001180123584 1035604780 /nfs/dbraw/zinc/60/47/80/1035604780.db2.gz CDLDMDQZTZHTFG-UHFFFAOYSA-N 2 0 322.468 3.778 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC001193324816 1035606174 /nfs/dbraw/zinc/60/61/74/1035606174.db2.gz SPSMZXSZPVDRRR-LJQANCHMSA-N 2 0 322.537 3.922 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC001180233421 1035628295 /nfs/dbraw/zinc/62/82/95/1035628295.db2.gz DLOUGFSVOJJSOL-GOSISDBHSA-N 2 0 308.416 3.834 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000535514453 1035664482 /nfs/dbraw/zinc/66/44/82/1035664482.db2.gz RWCHHAZSSQWRFR-QRVBRYPASA-N 2 0 320.521 3.578 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000191556075 1035699094 /nfs/dbraw/zinc/69/90/94/1035699094.db2.gz SMIFOPWBCLLQOT-HEHGZKQESA-N 2 0 314.395 3.832 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000379764374 1035709428 /nfs/dbraw/zinc/70/94/28/1035709428.db2.gz GSUWPKURIYKYCY-HKUYNNGSSA-N 2 0 324.468 3.955 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001194133002 1035837033 /nfs/dbraw/zinc/83/70/33/1035837033.db2.gz OFFKAFROYSQKOH-VAMGGRTRSA-N 2 0 300.490 3.986 20 0 DHADRP C(CC1CCCCC1)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001194279601 1035881691 /nfs/dbraw/zinc/88/16/91/1035881691.db2.gz KOJMLLSMFQPRLV-IBGZPJMESA-N 2 0 308.510 3.534 20 0 DHADRP CC[NH+]1CCC(CNc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC001181256471 1035883185 /nfs/dbraw/zinc/88/31/85/1035883185.db2.gz PDOQHRRGZONZSH-UHFFFAOYSA-N 2 0 309.885 3.545 20 0 DHADRP CC[C@H](C)[C@@H](C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)OC ZINC001181315986 1035891673 /nfs/dbraw/zinc/89/16/73/1035891673.db2.gz TUDJVOLCCZKEBP-DFQSSKMNSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194740584 1036044028 /nfs/dbraw/zinc/04/40/28/1036044028.db2.gz CUTXWWBMFROWDJ-AWEZNQCLSA-N 2 0 308.416 3.834 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000227327421 1036070817 /nfs/dbraw/zinc/07/08/17/1036070817.db2.gz ABOGKNWGHNHROJ-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c3ccccc23)[C@H]1c1ccccc1 ZINC000485984989 1036071143 /nfs/dbraw/zinc/07/11/43/1036071143.db2.gz AYTDXWIXSUCSEM-WOJBJXKFSA-N 2 0 303.409 3.514 20 0 DHADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc2ccccc2[nH]1 ZINC000775623625 1036085010 /nfs/dbraw/zinc/08/50/10/1036085010.db2.gz SPCXMUJJRYPHBZ-AWEZNQCLSA-N 2 0 308.429 3.594 20 0 DHADRP CC(C)C[N@H+]([C@@H](C)Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168472754 1036098801 /nfs/dbraw/zinc/09/88/01/1036098801.db2.gz DBADBOJDEUQERX-SNRMKQJTSA-N 2 0 306.469 3.985 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168435992 1036124733 /nfs/dbraw/zinc/12/47/33/1036124733.db2.gz BGSXEBFISGJGOJ-HXUWFJFHSA-N 2 0 318.480 3.735 20 0 DHADRP C(=C\c1ccncc1)\C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000494929158 1036129634 /nfs/dbraw/zinc/12/96/34/1036129634.db2.gz HGDPHVHPSVDOHS-HYXAFXHYSA-N 2 0 313.489 3.683 20 0 DHADRP Cc1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000929840677 1036193779 /nfs/dbraw/zinc/19/37/79/1036193779.db2.gz GUPNHZNUWVUIJF-OAHLLOKOSA-N 2 0 318.509 3.503 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000495057610 1036210238 /nfs/dbraw/zinc/21/02/38/1036210238.db2.gz GJLDUBFRWMPGIK-VDCDIQELSA-N 2 0 300.490 3.777 20 0 DHADRP C[C@@H]([NH2+]CCOC1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601699 1036384611 /nfs/dbraw/zinc/38/46/11/1036384611.db2.gz NBIFVNRUUXCIPN-MSOLQXFVSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355381 1036447892 /nfs/dbraw/zinc/44/78/92/1036447892.db2.gz IMWDMAMXTNITHK-IRXDYDNUSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCSC1 ZINC000486939173 1036475453 /nfs/dbraw/zinc/47/54/53/1036475453.db2.gz JKFGGZJQOJUSFZ-IRXDYDNUSA-N 2 0 318.530 3.904 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC001182902240 1036480889 /nfs/dbraw/zinc/48/08/89/1036480889.db2.gz LACLIZCEBYRNRD-CQSZACIVSA-N 2 0 312.860 3.733 20 0 DHADRP c1ccc2c(c1)CC[C@H](C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)C2 ZINC000541988030 1036481117 /nfs/dbraw/zinc/48/11/17/1036481117.db2.gz IVNDGLOQPCLPRA-RXVVDRJESA-N 2 0 312.501 3.742 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000668717933 1036484235 /nfs/dbraw/zinc/48/42/35/1036484235.db2.gz HLRVNAYMYNQZDC-QGZVFWFLSA-N 2 0 310.445 3.588 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206549621 1036490529 /nfs/dbraw/zinc/49/05/29/1036490529.db2.gz PGBXIWREGBPZRT-LJQANCHMSA-N 2 0 304.478 3.672 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C/C=C\c2ccncc2)c1 ZINC000486989912 1036502333 /nfs/dbraw/zinc/50/23/33/1036502333.db2.gz NZZXCSOWCWBOIW-YVMONPNESA-N 2 0 309.457 3.725 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001183045656 1036505913 /nfs/dbraw/zinc/50/59/13/1036505913.db2.gz LUFWTXNBKWHTFS-KRWDZBQOSA-N 2 0 322.443 3.876 20 0 DHADRP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001183065460 1036514737 /nfs/dbraw/zinc/51/47/37/1036514737.db2.gz LOQNMYLOSUOGHU-MAUKXSAKSA-N 2 0 308.897 3.935 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000542177096 1036528975 /nfs/dbraw/zinc/52/89/75/1036528975.db2.gz PWGHCPAZNRQEJC-NZSAHSFTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@@]1([NH3+])CCCN(Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001205264028 1036568343 /nfs/dbraw/zinc/56/83/43/1036568343.db2.gz GWJNFFDJPNJYPP-QGZVFWFLSA-N 2 0 303.837 3.592 20 0 DHADRP CCCC[C@H](COC)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495444278 1036646255 /nfs/dbraw/zinc/64/62/55/1036646255.db2.gz IJGCYDZXWJTWCF-YZGWKJHDSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000487549840 1036678885 /nfs/dbraw/zinc/67/88/85/1036678885.db2.gz IWRQDQXWBGAFNK-NZSAHSFTSA-N 2 0 318.530 3.630 20 0 DHADRP CC[NH+](CC)CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC001184339708 1036818541 /nfs/dbraw/zinc/81/85/41/1036818541.db2.gz RTUCSZKEIXIPSG-HBFSDRIKSA-N 2 0 318.505 3.864 20 0 DHADRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C)(c4ccccc4)CC3)[C@@H]2C1 ZINC001184386683 1036827980 /nfs/dbraw/zinc/82/79/80/1036827980.db2.gz CPMDVTHAKXVXKA-OLEYIWRESA-N 2 0 312.501 3.817 20 0 DHADRP C[N@@H+]1C[C@@H]2C[NH+](CCCSc3ccccc3Cl)C[C@]2(C)C1 ZINC001198259782 1036976998 /nfs/dbraw/zinc/97/69/98/1036976998.db2.gz CJALBSPKGITCPD-PBHICJAKSA-N 2 0 324.921 3.706 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000236763460 1036980215 /nfs/dbraw/zinc/98/02/15/1036980215.db2.gz HKAAFEKAAGQCNV-KRWDZBQOSA-N 2 0 304.478 3.685 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000237246633 1036999945 /nfs/dbraw/zinc/99/99/45/1036999945.db2.gz INTRYEJXDUSALK-MRXNPFEDSA-N 2 0 318.505 3.869 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)cc1F ZINC000488423555 1037004670 /nfs/dbraw/zinc/00/46/70/1037004670.db2.gz BGAHHXSAZHKDQL-NVXWUHKLSA-N 2 0 324.509 3.897 20 0 DHADRP C[C@@H](C[NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000237376725 1037008468 /nfs/dbraw/zinc/00/84/68/1037008468.db2.gz JUVQHTLHLUXULX-KRWDZBQOSA-N 2 0 312.457 3.520 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488451562 1037033051 /nfs/dbraw/zinc/03/30/51/1037033051.db2.gz VMIUNMYWDGNXDD-IXDOHACOSA-N 2 0 312.567 3.864 20 0 DHADRP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168446478 1037046433 /nfs/dbraw/zinc/04/64/33/1037046433.db2.gz QVFIVSDTUWPYMB-LJQANCHMSA-N 2 0 316.464 3.633 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C12CCCC2 ZINC000315816609 1037057301 /nfs/dbraw/zinc/05/73/01/1037057301.db2.gz IZTPSUWRZZPTQX-RCCFBDPRSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccnc3cc(F)ccc32)C[C@@H](C)C1 ZINC000488719259 1037118068 /nfs/dbraw/zinc/11/80/68/1037118068.db2.gz NWWBGYCVUNXQTL-LPMFXHHGSA-N 2 0 313.420 3.540 20 0 DHADRP Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309730072 1037176688 /nfs/dbraw/zinc/17/66/88/1037176688.db2.gz RIFNGKINBNYEQU-RXVVDRJESA-N 2 0 308.469 3.995 20 0 DHADRP CC(C)C1CC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309795946 1037181614 /nfs/dbraw/zinc/18/16/14/1037181614.db2.gz QDRCIFRXFBWHKM-OVZGMEQFSA-N 2 0 300.490 3.921 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000393435589 1037194446 /nfs/dbraw/zinc/19/44/46/1037194446.db2.gz UACXTPWDBHAAFU-RCBQFDQVSA-N 2 0 312.379 3.983 20 0 DHADRP C[C@@H]([NH2+]CCOc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393832522 1037233141 /nfs/dbraw/zinc/23/31/41/1037233141.db2.gz LBZXCVHUGKXOKT-QUCCMNQESA-N 2 0 324.468 3.566 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc3ccccc3n2C)C1 ZINC001199329737 1037244449 /nfs/dbraw/zinc/24/44/49/1037244449.db2.gz YSSYZIIDBPAIBG-IRXDYDNUSA-N 2 0 313.489 3.636 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000493205626 1037252264 /nfs/dbraw/zinc/25/22/64/1037252264.db2.gz OFZYJSPPYAGQET-BQFCYCMXSA-N 2 0 306.519 3.876 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cscc2Cl)cc1 ZINC000776021390 1037335319 /nfs/dbraw/zinc/33/53/19/1037335319.db2.gz SUHRJFXVAVWJMF-UHFFFAOYSA-N 2 0 324.877 3.632 20 0 DHADRP CC(C)C(C[NH2+]Cc1ccccc1OCC[NH+](C)C)C(C)C ZINC001199822491 1037353133 /nfs/dbraw/zinc/35/31/33/1037353133.db2.gz HAICXEWCQNKIGH-UHFFFAOYSA-N 2 0 306.494 3.645 20 0 DHADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCc1ccc(Cl)cc1Cl ZINC001205903533 1037482204 /nfs/dbraw/zinc/48/22/04/1037482204.db2.gz QBTHWKLVZANMFQ-DGCLKSJQSA-N 2 0 301.261 3.595 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205913727 1037577362 /nfs/dbraw/zinc/57/73/62/1037577362.db2.gz JGLYOAKBKMRDCJ-STQMWFEESA-N 2 0 300.368 3.573 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398046539 1037586232 /nfs/dbraw/zinc/58/62/32/1037586232.db2.gz VZLZSQCSLHEJHD-SJLPKXTDSA-N 2 0 306.519 3.628 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)CC1CCCCC1 ZINC001201417762 1037660018 /nfs/dbraw/zinc/66/00/18/1037660018.db2.gz ZQZQEOYTLRYCKX-VDGAXYAQSA-N 2 0 322.537 3.560 20 0 DHADRP c1ccc(C[NH+]2CC3(C2)CC[NH+](C[C@H]2CC=CCC2)CC3)cc1 ZINC001201421357 1037661127 /nfs/dbraw/zinc/66/11/27/1037661127.db2.gz AXJOAKUJSKTKPV-IBGZPJMESA-N 2 0 310.485 3.941 20 0 DHADRP CC[C@H](C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201520544 1037762379 /nfs/dbraw/zinc/76/23/79/1037762379.db2.gz CRDFVPXUKSPQMB-SXLOBPIMSA-N 2 0 300.490 3.877 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000638151596 1037779474 /nfs/dbraw/zinc/77/94/74/1037779474.db2.gz DRMOSAADVNYUMO-IEBWSBKVSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc(C)c1C ZINC001201666515 1037823080 /nfs/dbraw/zinc/82/30/80/1037823080.db2.gz BZFGRVNTPUCCFH-UHFFFAOYSA-N 2 0 310.445 3.502 20 0 DHADRP CC(C)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201658796 1037837376 /nfs/dbraw/zinc/83/73/76/1037837376.db2.gz JLYDVKGOGKTDQQ-UHFFFAOYSA-N 2 0 310.445 3.700 20 0 DHADRP c1ccc(CCC[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001201660936 1037838971 /nfs/dbraw/zinc/83/89/71/1037838971.db2.gz MDLZHBTXBURFSD-UHFFFAOYSA-N 2 0 312.501 3.960 20 0 DHADRP CCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201707372 1037848703 /nfs/dbraw/zinc/84/87/03/1037848703.db2.gz ZYRBKXUOHSLFKP-LJQANCHMSA-N 2 0 316.489 3.542 20 0 DHADRP CCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201727309 1037855472 /nfs/dbraw/zinc/85/54/72/1037855472.db2.gz QENVUMFDIJRWPY-UHFFFAOYSA-N 2 0 319.493 3.912 20 0 DHADRP CCCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001201727218 1037855940 /nfs/dbraw/zinc/85/59/40/1037855940.db2.gz ODGQVTRCJDECPG-KRWDZBQOSA-N 2 0 320.477 3.525 20 0 DHADRP CSCCC[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001201690061 1037861560 /nfs/dbraw/zinc/86/15/60/1037861560.db2.gz QGNRLFRRUSNABO-FHWLQOOXSA-N 2 0 318.530 3.850 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000123778786 1037866212 /nfs/dbraw/zinc/86/62/12/1037866212.db2.gz HYZADNPCYZYYFD-HUUCEWRRSA-N 2 0 310.457 3.995 20 0 DHADRP C[NH+](C)CC1CCN(c2ccc(NCC(C)(C)C)cc2)CC1 ZINC000151377984 1037867958 /nfs/dbraw/zinc/86/79/58/1037867958.db2.gz UUAULMYFZNZLFF-UHFFFAOYSA-N 2 0 303.494 3.923 20 0 DHADRP CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201751012 1037873161 /nfs/dbraw/zinc/87/31/61/1037873161.db2.gz RKJNSQDNMVEBGC-HZPDHXFCSA-N 2 0 307.507 3.620 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1)CC1CC1 ZINC000491056996 1037901882 /nfs/dbraw/zinc/90/18/82/1037901882.db2.gz CVGFUBGYIUKFLV-YLJYHZDGSA-N 2 0 322.537 3.636 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1)CC1CC1 ZINC000491056972 1037901950 /nfs/dbraw/zinc/90/19/50/1037901950.db2.gz CVGFUBGYIUKFLV-FXAWDEMLSA-N 2 0 322.537 3.636 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H](C)C2 ZINC000491057840 1037902391 /nfs/dbraw/zinc/90/23/91/1037902391.db2.gz XCZRZUQKCDJBAR-SQGPQFPESA-N 2 0 300.490 3.938 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000125421292 1037938234 /nfs/dbraw/zinc/93/82/34/1037938234.db2.gz JXROJWLDUZWFHP-UZLBHIALSA-N 2 0 312.457 3.539 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000125742167 1037953192 /nfs/dbraw/zinc/95/31/92/1037953192.db2.gz YUOJGBPMYYIPPF-QUCCMNQESA-N 2 0 300.490 3.718 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000494314186 1038053690 /nfs/dbraw/zinc/05/36/90/1038053690.db2.gz QQIDWMYDJWNCRQ-QGZVFWFLSA-N 2 0 318.505 3.681 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000126387664 1038063029 /nfs/dbraw/zinc/06/30/29/1038063029.db2.gz SMMFSDUVVLBPAL-LBPRGKRZSA-N 2 0 316.367 3.578 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000126680433 1038085196 /nfs/dbraw/zinc/08/51/96/1038085196.db2.gz CNXUCYDNSLZLKY-QFBILLFUSA-N 2 0 316.489 3.955 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000126667376 1038086635 /nfs/dbraw/zinc/08/66/35/1038086635.db2.gz VRHZQSDILCEYEJ-SFHVURJKSA-N 2 0 306.881 3.661 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000189247979 1038117431 /nfs/dbraw/zinc/11/74/31/1038117431.db2.gz ZLKYBBWNDVZNHN-AILXTGBUSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H](C[NH2+]CCCCNc1ccccn1)c1ccc(F)cc1 ZINC000127862085 1038216815 /nfs/dbraw/zinc/21/68/15/1038216815.db2.gz KQZCJQDPAPEAEG-OAHLLOKOSA-N 2 0 301.409 3.806 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC(C)C)cc1C[NH+]1CCCCC1 ZINC000775364295 1038277148 /nfs/dbraw/zinc/27/71/48/1038277148.db2.gz RLHLLEWQDCIKNC-MRXNPFEDSA-N 2 0 304.478 3.988 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)OC)ccc1OC ZINC000775399921 1038356234 /nfs/dbraw/zinc/35/62/34/1038356234.db2.gz GXSQBQSEWQFMJN-OAHLLOKOSA-N 2 0 322.493 3.613 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000572473206 1038377020 /nfs/dbraw/zinc/37/70/20/1038377020.db2.gz NHVLAXJVYLFQNY-QAPCUYQASA-N 2 0 318.530 3.946 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCSC2)ccc1OC ZINC000775412981 1038384316 /nfs/dbraw/zinc/38/43/16/1038384316.db2.gz SXLUNXVYBFTEOM-RHSMWYFYSA-N 2 0 322.518 3.693 20 0 DHADRP CC[N@H+](Cc1ccc(C)c(C)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168389776 1038470265 /nfs/dbraw/zinc/47/02/65/1038470265.db2.gz VTTLVDRQVMFVFY-UHFFFAOYSA-N 2 0 300.490 4.000 20 0 DHADRP C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(Cl)cn1 ZINC000775494305 1038573171 /nfs/dbraw/zinc/57/31/71/1038573171.db2.gz ZJFGSPXSMBTOKF-SWLSCSKDSA-N 2 0 306.841 3.697 20 0 DHADRP C[C@H]([NH2+]CCNc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775513303 1038604535 /nfs/dbraw/zinc/60/45/35/1038604535.db2.gz WERFHAATHNBIID-AZUAARDMSA-N 2 0 323.484 3.599 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc3C2)c1 ZINC001168399463 1038630257 /nfs/dbraw/zinc/63/02/57/1038630257.db2.gz BHWHULAYIUKIEN-FQEVSTJZSA-N 2 0 312.432 3.534 20 0 DHADRP C[C@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)CC[C@@H]1C[NH3+] ZINC001205603074 1038678161 /nfs/dbraw/zinc/67/81/61/1038678161.db2.gz NPHYHXPEBNCMBB-QWHCGFSZSA-N 2 0 315.288 3.843 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000590786538 1038707164 /nfs/dbraw/zinc/70/71/64/1038707164.db2.gz DRFSCRRMBFIIQH-UHFFFAOYSA-N 2 0 322.468 3.647 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000590786315 1038707247 /nfs/dbraw/zinc/70/72/47/1038707247.db2.gz QDMAFGMPCUIORT-IEBWSBKVSA-N 2 0 310.526 3.634 20 0 DHADRP CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000573167640 1038827967 /nfs/dbraw/zinc/82/79/67/1038827967.db2.gz RWFMTFPIIIBMAH-LPHOPBHVSA-N 2 0 312.461 3.976 20 0 DHADRP C[C@@H](CCc1ccccc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000573167455 1038831780 /nfs/dbraw/zinc/83/17/80/1038831780.db2.gz IGKYDSRDPYNEDZ-DAABDDCCSA-N 2 0 300.490 3.812 20 0 DHADRP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCCc1cncn1C ZINC000573263143 1038891905 /nfs/dbraw/zinc/89/19/05/1038891905.db2.gz FTBIFDLHQSIJEW-SFHVURJKSA-N 2 0 303.425 3.821 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1F ZINC000573338133 1038913251 /nfs/dbraw/zinc/91/32/51/1038913251.db2.gz DYJSNSMAFRHTKD-YUSALJHKSA-N 2 0 315.230 3.509 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1F ZINC000573338130 1038914151 /nfs/dbraw/zinc/91/41/51/1038914151.db2.gz DYJSNSMAFRHTKD-ADEWGFFLSA-N 2 0 315.230 3.509 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000760899002 1039040254 /nfs/dbraw/zinc/04/02/54/1039040254.db2.gz WJRQTRYZHRIIBS-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CSCCCCC[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000573821788 1039077708 /nfs/dbraw/zinc/07/77/08/1039077708.db2.gz FCSIHOLRIVCLDH-ROUUACIJSA-N 2 0 306.519 3.945 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168414922 1039080401 /nfs/dbraw/zinc/08/04/01/1039080401.db2.gz KSGLLMXEWMIRJE-FQEVSTJZSA-N 2 0 318.480 3.641 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000574054143 1039398744 /nfs/dbraw/zinc/39/87/44/1039398744.db2.gz UMWLRZXMUNDPMY-CABCVRRESA-N 2 0 314.395 3.843 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168405664 1039912691 /nfs/dbraw/zinc/91/26/91/1039912691.db2.gz TVLAFNCIQNBBKV-BEFAXECRSA-N 2 0 304.453 3.537 20 0 DHADRP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000595016768 1039979656 /nfs/dbraw/zinc/97/96/56/1039979656.db2.gz SCBOKSXDODFLLB-AEFFLSMTSA-N 2 0 324.509 3.579 20 0 DHADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000595100321 1040063342 /nfs/dbraw/zinc/06/33/42/1040063342.db2.gz RLDHORYWKXCRGT-SJLPKXTDSA-N 2 0 318.530 3.772 20 0 DHADRP FC(F)[C@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000761109966 1040131428 /nfs/dbraw/zinc/13/14/28/1040131428.db2.gz RBKOALHZRYHIPN-KBPBESRZSA-N 2 0 324.406 3.721 20 0 DHADRP C[C@@H](C[NH2+]CC(C)(C)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000575112514 1040181114 /nfs/dbraw/zinc/18/11/14/1040181114.db2.gz TXOKJBNCZFAJSK-LBPRGKRZSA-N 2 0 302.384 3.739 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000669614081 1040772784 /nfs/dbraw/zinc/77/27/84/1040772784.db2.gz JZKPTAZQBDTTHO-IBGZPJMESA-N 2 0 314.473 3.679 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1(C)C ZINC001168412171 1040900488 /nfs/dbraw/zinc/90/04/88/1040900488.db2.gz KVAGPSDOZFUZST-QGZVFWFLSA-N 2 0 318.480 3.924 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503989 1041098147 /nfs/dbraw/zinc/09/81/47/1041098147.db2.gz WWSFJFZUMHVXLM-OAHLLOKOSA-N 2 0 314.395 3.976 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CCSC3CCCCC3)C2)CC1 ZINC000800383702 1041190816 /nfs/dbraw/zinc/19/08/16/1041190816.db2.gz ABFSBQLMEYDGJC-UHFFFAOYSA-N 2 0 310.551 3.860 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1sccc1Br ZINC000571669500 335000266 /nfs/dbraw/zinc/00/02/66/335000266.db2.gz QMMKCFUMRUQFPE-HOSYDEDBSA-N 2 0 317.296 3.679 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000093977895 193333639 /nfs/dbraw/zinc/33/36/39/193333639.db2.gz ITKDTERLKZVPGH-DAXOMENPSA-N 2 0 323.278 3.727 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000110644037 194346011 /nfs/dbraw/zinc/34/60/11/194346011.db2.gz SRUYKEQGPYRHJA-RYUDHWBXSA-N 2 0 311.267 3.569 20 0 DHADRP Fc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000272301342 130017328 /nfs/dbraw/zinc/01/73/28/130017328.db2.gz DHPUEERTRCHOBI-KXBFYZLASA-N 2 0 314.448 3.836 20 0 DHADRP C[C@H]([NH2+]Cc1cnc2ccccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272664596 130051682 /nfs/dbraw/zinc/05/16/82/130051682.db2.gz IPXSBYRFCRIQSP-QFBILLFUSA-N 2 0 323.484 3.977 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274419160 130233400 /nfs/dbraw/zinc/23/34/00/130233400.db2.gz TWMXLHHSTSIGGM-BJLQDIEVSA-N 2 0 323.484 3.951 20 0 DHADRP Cc1cccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000283825188 131027091 /nfs/dbraw/zinc/02/70/91/131027091.db2.gz DLOKEGBXFQKHQQ-UHFFFAOYSA-N 2 0 324.468 3.758 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cn[nH]c1 ZINC000283943357 131035334 /nfs/dbraw/zinc/03/53/34/131035334.db2.gz FMOQOLIUAOGANL-MRXNPFEDSA-N 2 0 312.461 3.637 20 0 DHADRP C[N@H+](CCCCCF)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000284124154 131051178 /nfs/dbraw/zinc/05/11/78/131051178.db2.gz NUFFEWTVFRILAF-UHFFFAOYSA-N 2 0 307.457 3.760 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000284293178 131067549 /nfs/dbraw/zinc/06/75/49/131067549.db2.gz IHHLVYKUKGRZOE-HNNXBMFYSA-N 2 0 314.429 3.603 20 0 DHADRP CC[NH+]1CCC([NH2+]CCCCc2ccc(Cl)s2)CC1 ZINC000284391448 131076032 /nfs/dbraw/zinc/07/60/32/131076032.db2.gz PFKXHBNDRJXYHB-UHFFFAOYSA-N 2 0 300.899 3.798 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000284443716 131081495 /nfs/dbraw/zinc/08/14/95/131081495.db2.gz SZDKORBXKYMUOA-IBGZPJMESA-N 2 0 314.473 3.582 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000284998234 131130253 /nfs/dbraw/zinc/13/02/53/131130253.db2.gz GTMFDADJWKBCBH-VHBXLISGSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000287070056 131262319 /nfs/dbraw/zinc/26/23/19/131262319.db2.gz OAJGIJMHVFAKHA-QRQLOZEOSA-N 2 0 318.530 3.630 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)c1 ZINC000297423454 132014547 /nfs/dbraw/zinc/01/45/47/132014547.db2.gz OONTVTWTQMMSFZ-INIZCTEOSA-N 2 0 312.379 3.746 20 0 DHADRP CCCCOc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000297463591 132016968 /nfs/dbraw/zinc/01/69/68/132016968.db2.gz IFFOJEBVXDEJIT-UHFFFAOYSA-N 2 0 309.413 3.803 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297531975 132020970 /nfs/dbraw/zinc/02/09/70/132020970.db2.gz DPTRJEQXMQHFMJ-NFAWXSAZSA-N 2 0 307.869 3.575 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297603124 132024609 /nfs/dbraw/zinc/02/46/09/132024609.db2.gz UMVUWRROVYYFBA-LJQANCHMSA-N 2 0 307.397 3.510 20 0 DHADRP c1ccc(C2CC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298466248 132064410 /nfs/dbraw/zinc/06/44/10/132064410.db2.gz ORTNTHINWHVOEV-UHFFFAOYSA-N 2 0 307.441 3.586 20 0 DHADRP c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298497452 132065234 /nfs/dbraw/zinc/06/52/34/132065234.db2.gz QFUCPNUVYAKBDJ-RTWAWAEBSA-N 2 0 321.468 3.976 20 0 DHADRP Oc1cccc2c1CC[C@H]2[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000121094460 132151530 /nfs/dbraw/zinc/15/15/30/132151530.db2.gz MVLNNGVSPSTBMP-HXUWFJFHSA-N 2 0 322.452 3.634 20 0 DHADRP c1cc2c(o1)CCC[C@@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000121722226 132158182 /nfs/dbraw/zinc/15/81/82/132158182.db2.gz GJMPEZCULAODKK-FQEVSTJZSA-N 2 0 324.468 3.954 20 0 DHADRP C[C@H](C[NH2+][C@H](C)CCc1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000570649473 332791045 /nfs/dbraw/zinc/79/10/45/332791045.db2.gz ORMOIEQNVGFGFL-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000173226897 332825480 /nfs/dbraw/zinc/82/54/80/332825480.db2.gz DCRWXPKSMFQHNY-KXBFYZLASA-N 2 0 304.478 3.783 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000517371895 331670469 /nfs/dbraw/zinc/67/04/69/331670469.db2.gz KFIFZIDWNIAIAH-GFCCVEGCSA-N 2 0 308.878 3.971 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000261953432 331705204 /nfs/dbraw/zinc/70/52/04/331705204.db2.gz NLTTXUWLFXSWFK-LBPRGKRZSA-N 2 0 319.836 3.554 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000556584281 331717067 /nfs/dbraw/zinc/71/70/67/331717067.db2.gz SVDCZAXZPUAHAV-AABGKKOBSA-N 2 0 300.490 3.779 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000556872999 331746243 /nfs/dbraw/zinc/74/62/43/331746243.db2.gz SXAFTJJHCRIBJL-XYPHTWIQSA-N 2 0 310.432 3.748 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000558221190 331884794 /nfs/dbraw/zinc/88/47/94/331884794.db2.gz FCRPGUPWRMUBDH-FEHORTKBSA-N 2 0 316.489 3.574 20 0 DHADRP COCCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000518278877 332005914 /nfs/dbraw/zinc/00/59/14/332005914.db2.gz KAOHXAYPYYXEKH-NRFANRHFSA-N 2 0 324.468 3.554 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCCCC3)O2)C[C@H]1C ZINC000409447242 332031625 /nfs/dbraw/zinc/03/16/25/332031625.db2.gz FCXVFTNKGBLDJS-SQNIBIBYSA-N 2 0 308.510 3.673 20 0 DHADRP CCCOc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000131761450 332033617 /nfs/dbraw/zinc/03/36/17/332033617.db2.gz ONERJDIIOXXPFL-AYHJJNSGSA-N 2 0 302.462 3.580 20 0 DHADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1N(C)C ZINC000093941497 332144244 /nfs/dbraw/zinc/14/42/44/332144244.db2.gz SVXIDPFRQLBGCD-AWEZNQCLSA-N 2 0 303.494 3.712 20 0 DHADRP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449433780 332185671 /nfs/dbraw/zinc/18/56/71/332185671.db2.gz NUOMFIXUKAXWNE-XQLPTFJDSA-N 2 0 304.400 3.714 20 0 DHADRP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000448021964 332187780 /nfs/dbraw/zinc/18/77/80/332187780.db2.gz LTPVIFYMEHYGAH-RUXDESIVSA-N 2 0 306.416 3.818 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(c3cccc(F)c3F)CCCC2)CC1 ZINC000426059786 335094993 /nfs/dbraw/zinc/09/49/93/335094993.db2.gz FXYXMDZERZDZDP-UHFFFAOYSA-N 2 0 322.443 3.851 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000559753094 332279206 /nfs/dbraw/zinc/27/92/06/332279206.db2.gz LEAGYEXOHOVMIL-LJQANCHMSA-N 2 0 320.908 3.983 20 0 DHADRP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000262111031 332286412 /nfs/dbraw/zinc/28/64/12/332286412.db2.gz JTQUZKVLYMJHNG-NUEKZKHPSA-N 2 0 312.379 3.716 20 0 DHADRP Cc1ccccc1OCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560336490 332331558 /nfs/dbraw/zinc/33/15/58/332331558.db2.gz KGXXVIPREKZXKN-UHFFFAOYSA-N 2 0 318.505 3.816 20 0 DHADRP OCCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000165601253 332739031 /nfs/dbraw/zinc/73/90/31/332739031.db2.gz AZBXVXIRUNWPIK-UHFFFAOYSA-N 2 0 322.537 3.706 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc3ccccc23)C1 ZINC000580259497 333043356 /nfs/dbraw/zinc/04/33/56/333043356.db2.gz KIWZFPZWDDUDFF-WMLDXEAASA-N 2 0 300.471 3.817 20 0 DHADRP CC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000181751766 333064305 /nfs/dbraw/zinc/06/43/05/333064305.db2.gz FUMMVBUIVZMECW-PKOBYXMFSA-N 2 0 301.478 3.856 20 0 DHADRP CCCCOc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000314037616 333083497 /nfs/dbraw/zinc/08/34/97/333083497.db2.gz DHDLIZWYPUCAMJ-UHFFFAOYSA-N 2 0 304.478 3.831 20 0 DHADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000462037378 333111071 /nfs/dbraw/zinc/11/10/71/333111071.db2.gz BKHJYAALKZXKHR-SFHVURJKSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000319412234 333299092 /nfs/dbraw/zinc/29/90/92/333299092.db2.gz HBILLDOLPPSAJI-PRHYDEJPSA-N 2 0 300.490 3.889 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000120708075 333306791 /nfs/dbraw/zinc/30/67/91/333306791.db2.gz ZOJWJHGTGOOEQB-IBGZPJMESA-N 2 0 302.462 3.537 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCCC[NH+](C)C)c2ccccc2)cc1 ZINC000390628348 333307962 /nfs/dbraw/zinc/30/79/62/333307962.db2.gz ILXUCIWAXZWIBP-FQEVSTJZSA-N 2 0 312.457 3.716 20 0 DHADRP CCC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000390708855 333317090 /nfs/dbraw/zinc/31/70/90/333317090.db2.gz WBIKTHMBVOWCGU-RAFMOHDBSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000390738825 333322390 /nfs/dbraw/zinc/32/23/90/333322390.db2.gz AKMGLLFLINTSAA-GBESFXJTSA-N 2 0 318.530 3.628 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000319620754 333323648 /nfs/dbraw/zinc/32/36/48/333323648.db2.gz LHSPQMRGMZOCTM-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000514091501 333324666 /nfs/dbraw/zinc/32/46/66/333324666.db2.gz ZHTLNYAPGWJDFP-VNTMZGSJSA-N 2 0 300.490 3.889 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2 ZINC000320735418 335134468 /nfs/dbraw/zinc/13/44/68/335134468.db2.gz AJSYXBWLEZJUGS-SFHVURJKSA-N 2 0 316.489 3.971 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnc(C3CCCCC3)s2)C1 ZINC000521406080 333370662 /nfs/dbraw/zinc/37/06/62/333370662.db2.gz FSPIZUVETMUTMA-ZFWWWQNUSA-N 2 0 307.507 3.798 20 0 DHADRP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000390785364 333393444 /nfs/dbraw/zinc/39/34/44/333393444.db2.gz VZRPVQDUCLZCJZ-PMACEKPBSA-N 2 0 318.505 3.549 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000390818303 333396084 /nfs/dbraw/zinc/39/60/84/333396084.db2.gz QMUWBHDBKIBNCC-GOSISDBHSA-N 2 0 318.530 3.774 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@H]21 ZINC000563139043 333396285 /nfs/dbraw/zinc/39/62/85/333396285.db2.gz XUXHRWWWOJICMA-DJIMGWMZSA-N 2 0 319.518 3.750 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000531688115 333544751 /nfs/dbraw/zinc/54/47/51/333544751.db2.gz QIFATWKYTVBPBB-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000534059840 333557381 /nfs/dbraw/zinc/55/73/81/333557381.db2.gz VXDWFENLYLAOFR-HNNXBMFYSA-N 2 0 301.261 3.912 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000261674250 333649173 /nfs/dbraw/zinc/64/91/73/333649173.db2.gz HMUGFWMDDSOOQH-IXDOHACOSA-N 2 0 324.415 3.688 20 0 DHADRP CC(CC[NH+]1CCC(CF)CC1)CC[NH+]1CCC(CF)CC1 ZINC000411794670 333706801 /nfs/dbraw/zinc/70/68/01/333706801.db2.gz SCWRATQEBXKEMO-UHFFFAOYSA-N 2 0 316.480 3.766 20 0 DHADRP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414539974 334012916 /nfs/dbraw/zinc/01/29/16/334012916.db2.gz SZLKLRLQLOHTJQ-QZTJIDSGSA-N 2 0 301.478 3.855 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cn1 ZINC000271379957 334022228 /nfs/dbraw/zinc/02/22/28/334022228.db2.gz QUYRGCOQXJLOSB-HNNXBMFYSA-N 2 0 313.420 3.667 20 0 DHADRP C[C@H]([NH2+]CCCc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272527429 334036438 /nfs/dbraw/zinc/03/64/38/334036438.db2.gz AAUSUVFMEJMIGW-AZUAARDMSA-N 2 0 323.484 3.514 20 0 DHADRP C[NH2+]CCC1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000414655611 334056401 /nfs/dbraw/zinc/05/64/01/334056401.db2.gz DJPGCXHMJYSMFH-PMACEKPBSA-N 2 0 300.490 3.818 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414666988 334062290 /nfs/dbraw/zinc/06/22/90/334062290.db2.gz XFPVTZUFKBQJHB-VQIMIIECSA-N 2 0 324.468 3.921 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000343529927 335175222 /nfs/dbraw/zinc/17/52/22/335175222.db2.gz DUICNCRDTNHAHE-UHFFFAOYSA-N 2 0 320.525 3.716 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414675740 334066996 /nfs/dbraw/zinc/06/69/96/334066996.db2.gz GNNAIKDBPZYNFQ-BXWFABGCSA-N 2 0 302.462 3.610 20 0 DHADRP CC[N@H+](Cc1ccc2cc(OC)ccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000414717297 334073280 /nfs/dbraw/zinc/07/32/80/334073280.db2.gz POSQXHYPCSNYKY-IBGZPJMESA-N 2 0 312.457 3.812 20 0 DHADRP CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414718772 334073467 /nfs/dbraw/zinc/07/34/67/334073467.db2.gz SLNKMYLNOVDHGN-ZDUSSCGKSA-N 2 0 318.358 3.809 20 0 DHADRP C[C@@H]1CCCC[C@H]1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414720462 334074282 /nfs/dbraw/zinc/07/42/82/334074282.db2.gz YQTTXRFCKSTISI-HBFSDRIKSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414731109 334075373 /nfs/dbraw/zinc/07/53/73/334075373.db2.gz FDXUGRVMASILEK-XJKSGUPXSA-N 2 0 314.395 3.883 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc2c1 ZINC000414780908 334093165 /nfs/dbraw/zinc/09/31/65/334093165.db2.gz MCZPAFBDQFEEIQ-VQTJNVASSA-N 2 0 324.468 3.670 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000414801649 334102949 /nfs/dbraw/zinc/10/29/49/334102949.db2.gz LZYWHUCBJOBEHY-XJKSGUPXSA-N 2 0 319.449 3.556 20 0 DHADRP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414808878 334104911 /nfs/dbraw/zinc/10/49/11/334104911.db2.gz LDKPTVCSHOOOCO-OAHLLOKOSA-N 2 0 320.440 3.695 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000414811084 334105795 /nfs/dbraw/zinc/10/57/95/334105795.db2.gz ITATYLUVDKDXJC-SGTLLEGYSA-N 2 0 300.833 3.617 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCc2ccccc2F)cc1 ZINC000414812045 334106020 /nfs/dbraw/zinc/10/60/20/334106020.db2.gz KFXJKQNUZXBPBD-GJZGRUSLSA-N 2 0 300.421 3.956 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414835299 334111378 /nfs/dbraw/zinc/11/13/78/334111378.db2.gz IINCLLHSWIZELJ-SNRMKQJTSA-N 2 0 304.478 3.555 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414838280 334111757 /nfs/dbraw/zinc/11/17/57/334111757.db2.gz VHPFNEGTPMUCJW-KRWDZBQOSA-N 2 0 324.468 3.760 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414837384 334111804 /nfs/dbraw/zinc/11/18/04/334111804.db2.gz HCWUVWSEBWVAJT-LBPRGKRZSA-N 2 0 300.899 3.974 20 0 DHADRP FC(F)(F)c1cc(Cl)cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414846283 334117959 /nfs/dbraw/zinc/11/79/59/334117959.db2.gz UOCDHMAORZSQHY-NSHDSACASA-N 2 0 320.786 3.838 20 0 DHADRP Cc1ccc(CCC[NH2+]C[C@H](N)c2ccc(C(C)C)cc2)cn1 ZINC000414851729 334125953 /nfs/dbraw/zinc/12/59/53/334125953.db2.gz UUBXTDXVZBCAKB-FQEVSTJZSA-N 2 0 311.473 3.736 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2)C1 ZINC000340185124 334141148 /nfs/dbraw/zinc/14/11/48/334141148.db2.gz RTQHMXDPPMKEED-QFBILLFUSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414874764 334144770 /nfs/dbraw/zinc/14/47/70/334144770.db2.gz JASDVKCUEJKZOX-ROUUACIJSA-N 2 0 302.462 3.581 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)sc1Br ZINC000285620877 334148986 /nfs/dbraw/zinc/14/89/86/334148986.db2.gz ZJMKARFUBVINKM-LLVKDONJSA-N 2 0 319.312 3.811 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1OC ZINC000286248168 334152373 /nfs/dbraw/zinc/15/23/73/334152373.db2.gz UGTFFVBSHUBCGV-XHSDSOJGSA-N 2 0 320.477 3.536 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CC3(C)CC[NH2+]CC3)s2)cc1 ZINC000414901256 334165117 /nfs/dbraw/zinc/16/51/17/334165117.db2.gz JLIFZIVRZQUADZ-UHFFFAOYSA-N 2 0 315.486 3.598 20 0 DHADRP C[C@H](C[NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414909630 334172039 /nfs/dbraw/zinc/17/20/39/334172039.db2.gz TXLDMKSSQHMHNN-IUODEOHRSA-N 2 0 300.368 3.541 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000366695438 334191956 /nfs/dbraw/zinc/19/19/56/334191956.db2.gz MKNCWOLKLRQVGU-GOSISDBHSA-N 2 0 312.457 3.675 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000292805353 334192636 /nfs/dbraw/zinc/19/26/36/334192636.db2.gz LAZNJKVNYHBTPU-MOPGFXCFSA-N 2 0 304.478 3.569 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000414932181 334195264 /nfs/dbraw/zinc/19/52/64/334195264.db2.gz VMQUTVQFHLJLDD-NWDGAFQWSA-N 2 0 301.261 3.786 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414943996 334203438 /nfs/dbraw/zinc/20/34/38/334203438.db2.gz OTOCQOMHOFHEQZ-PGRDOPGGSA-N 2 0 322.496 3.676 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414961126 334212432 /nfs/dbraw/zinc/21/24/32/334212432.db2.gz RKOHOOYLWNEQMX-BLLLJJGKSA-N 2 0 304.434 3.642 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)o1 ZINC000414962280 334213051 /nfs/dbraw/zinc/21/30/51/334213051.db2.gz CBCRUBNYERNGPU-AWEZNQCLSA-N 2 0 302.393 3.708 20 0 DHADRP COc1ccc(C2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414965589 334213580 /nfs/dbraw/zinc/21/35/80/334213580.db2.gz NLVRVWRKNMKNGG-CUYAVPTFSA-N 2 0 316.489 3.843 20 0 DHADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000187798093 334273513 /nfs/dbraw/zinc/27/35/13/334273513.db2.gz QNUBYUWMSVHVCR-LEWJYISDSA-N 2 0 312.501 3.961 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414983276 334226986 /nfs/dbraw/zinc/22/69/86/334226986.db2.gz BQJGVYLRBLYOPB-HLVUACMISA-N 2 0 314.473 3.614 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000415085474 334274099 /nfs/dbraw/zinc/27/40/99/334274099.db2.gz QRIYUSQLKSYPQQ-UHFFFAOYSA-N 2 0 324.468 3.873 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000415085507 334274136 /nfs/dbraw/zinc/27/41/36/334274136.db2.gz QHXOEKRURJBQRS-NEWSRXKRSA-N 2 0 303.494 3.722 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414990661 334230412 /nfs/dbraw/zinc/23/04/12/334230412.db2.gz AJENBUHVVABWGS-UZLBHIALSA-N 2 0 324.468 3.969 20 0 DHADRP COc1cc(Cl)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414996212 334235262 /nfs/dbraw/zinc/23/52/62/334235262.db2.gz GGYDWLXGYOGUSN-PWSUYJOCSA-N 2 0 317.260 3.609 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000414997955 334236375 /nfs/dbraw/zinc/23/63/75/334236375.db2.gz QGSWHFWBUZJNJD-CMPLNLGQSA-N 2 0 318.795 3.549 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)s2)cc1 ZINC000414999322 334238004 /nfs/dbraw/zinc/23/80/04/334238004.db2.gz RRARCTKCTDJHQZ-HOCLYGCPSA-N 2 0 315.486 3.726 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415004179 334242947 /nfs/dbraw/zinc/24/29/47/334242947.db2.gz XTIKLERVECDVEH-CMPLNLGQSA-N 2 0 320.786 3.966 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)F ZINC000415086546 334275353 /nfs/dbraw/zinc/27/53/53/334275353.db2.gz RVLWJMAZPXKXSJ-NFAWXSAZSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000415008175 334250834 /nfs/dbraw/zinc/25/08/34/334250834.db2.gz CMELSERARQDDHE-JTQLQIEISA-N 2 0 308.775 3.966 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000415008308 334250890 /nfs/dbraw/zinc/25/08/90/334250890.db2.gz SIMUUPGTYAUCLT-JCJXWUGKSA-N 2 0 316.489 3.829 20 0 DHADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415013088 334258465 /nfs/dbraw/zinc/25/84/65/334258465.db2.gz URFKCRFEJNDOGB-YDZRNGNQSA-N 2 0 318.892 3.954 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415013087 334258475 /nfs/dbraw/zinc/25/84/75/334258475.db2.gz URFKCRFEJNDOGB-INDMIFKZSA-N 2 0 318.892 3.954 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415016781 334258665 /nfs/dbraw/zinc/25/86/65/334258665.db2.gz CYIXAWHEPBKFKC-OAHLLOKOSA-N 2 0 300.446 3.844 20 0 DHADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415014871 334258894 /nfs/dbraw/zinc/25/88/94/334258894.db2.gz NHVPUKWELAMCSL-JKSUJKDBSA-N 2 0 319.493 3.634 20 0 DHADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000415052451 334259044 /nfs/dbraw/zinc/25/90/44/334259044.db2.gz LHBNMQTWWBHTBN-PZJWPPBQSA-N 2 0 324.468 3.622 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000415049737 334259155 /nfs/dbraw/zinc/25/91/55/334259155.db2.gz YANDEUQOCSTGPF-TZMCWYRMSA-N 2 0 304.434 3.771 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415018283 334259164 /nfs/dbraw/zinc/25/91/64/334259164.db2.gz UHQBOEKZFIZOHH-SNVBAGLBSA-N 2 0 308.775 3.966 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000415049735 334259165 /nfs/dbraw/zinc/25/91/65/334259165.db2.gz YANDEUQOCSTGPF-JSGCOSHPSA-N 2 0 304.434 3.771 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@H](C)CCC[NH3+])cc2)cc1 ZINC000415024242 334259494 /nfs/dbraw/zinc/25/94/94/334259494.db2.gz OMOIHNOHBRSPCV-QGZVFWFLSA-N 2 0 312.457 3.791 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000415021740 334259697 /nfs/dbraw/zinc/25/96/97/334259697.db2.gz ICSKHWXVRFDTHK-JOCQHMNTSA-N 2 0 321.515 3.726 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415027271 334259848 /nfs/dbraw/zinc/25/98/48/334259848.db2.gz ATQAKROMNIHJRF-TYNCELHUSA-N 2 0 300.368 3.526 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000415024590 334259853 /nfs/dbraw/zinc/25/98/53/334259853.db2.gz PFSDNGWSHBSISS-AWEZNQCLSA-N 2 0 318.411 3.814 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415034211 334260520 /nfs/dbraw/zinc/26/05/20/334260520.db2.gz JQLWKYKXGZDNTO-MWLCHTKSSA-N 2 0 306.759 3.576 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415046878 334261411 /nfs/dbraw/zinc/26/14/11/334261411.db2.gz VMFJKNPVJLNHLD-PMACEKPBSA-N 2 0 308.469 3.557 20 0 DHADRP COc1ccccc1/C=C\C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415060408 334261967 /nfs/dbraw/zinc/26/19/67/334261967.db2.gz WQWDJIZKHBXQNO-ICEKFOEVSA-N 2 0 310.441 3.778 20 0 DHADRP CC(C)c1ncc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415059264 334262068 /nfs/dbraw/zinc/26/20/68/334262068.db2.gz UZQPGOZGRBANCN-INIZCTEOSA-N 2 0 303.475 3.836 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000415076456 334269091 /nfs/dbraw/zinc/26/90/91/334269091.db2.gz CJHMKBCWEVDGCA-BDXSIMOUSA-N 2 0 310.526 3.728 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000514093430 334269353 /nfs/dbraw/zinc/26/93/53/334269353.db2.gz FXARNNNAKHCRNA-FHLIZLRMSA-N 2 0 324.896 3.690 20 0 DHADRP C[C@H]1C[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000415079059 334270366 /nfs/dbraw/zinc/27/03/66/334270366.db2.gz HKYBOIIPSWWJIS-ROUUACIJSA-N 2 0 308.469 3.796 20 0 DHADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC000415089502 334279648 /nfs/dbraw/zinc/27/96/48/334279648.db2.gz YBFPJGIRIGGUHG-PXNSSMCTSA-N 2 0 324.468 3.743 20 0 DHADRP c1sc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415089872 334279933 /nfs/dbraw/zinc/27/99/33/334279933.db2.gz YIIFKFVYIKWVDZ-KZNAEPCWSA-N 2 0 314.498 3.954 20 0 DHADRP c1ccc(COCc2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)cc1 ZINC000415090861 334280132 /nfs/dbraw/zinc/28/01/32/334280132.db2.gz PLNYIWYOQPSUKE-OAQYLSRUSA-N 2 0 324.468 3.635 20 0 DHADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000415098967 334281207 /nfs/dbraw/zinc/28/12/07/334281207.db2.gz GFMMTLAHYNOMJJ-OAHLLOKOSA-N 2 0 314.395 3.700 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415115492 334283616 /nfs/dbraw/zinc/28/36/16/334283616.db2.gz YLUGCBLTKCFPRC-LEAZDLGRSA-N 2 0 316.489 3.665 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000415114309 334283692 /nfs/dbraw/zinc/28/36/92/334283692.db2.gz XITOTSOFOFJCHX-MCIONIFRSA-N 2 0 314.395 3.787 20 0 DHADRP C[C@H](CC1CCCCC1)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415128138 334285310 /nfs/dbraw/zinc/28/53/10/334285310.db2.gz RTCFRDKBJKHRPJ-AHRSYUTCSA-N 2 0 322.537 3.811 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000531945809 334301101 /nfs/dbraw/zinc/30/11/01/334301101.db2.gz BEBWZKMTBTVVKA-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C(C)C ZINC000531949668 334303932 /nfs/dbraw/zinc/30/39/32/334303932.db2.gz RYQQFJILZPQFED-FQEVSTJZSA-N 2 0 318.505 3.931 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000531950862 334304372 /nfs/dbraw/zinc/30/43/72/334304372.db2.gz XAMCHQJSGMKYHM-YQQAZPJKSA-N 2 0 324.896 3.736 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000531955088 334306461 /nfs/dbraw/zinc/30/64/61/334306461.db2.gz FJUYRDHZEKVBSA-GOSISDBHSA-N 2 0 318.505 3.964 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000303663000 334324559 /nfs/dbraw/zinc/32/45/59/334324559.db2.gz DQCNMPYTEUKBDT-FQEVSTJZSA-N 2 0 300.490 3.673 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534973438 334351258 /nfs/dbraw/zinc/35/12/58/334351258.db2.gz ROXKLNUBTHRYTK-ACJLOTCBSA-N 2 0 304.865 3.791 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000535067422 334363024 /nfs/dbraw/zinc/36/30/24/334363024.db2.gz YPLUQRICGQMGHR-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000443648405 338458945 /nfs/dbraw/zinc/45/89/45/338458945.db2.gz YSFOCVFVUZMPID-QUCCMNQESA-N 2 0 320.521 3.556 20 0 DHADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000443961852 338464491 /nfs/dbraw/zinc/46/44/91/338464491.db2.gz FOBZUUVQUPKSPI-HZPDHXFCSA-N 2 0 324.896 3.627 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(CC)CC ZINC000344027315 335210076 /nfs/dbraw/zinc/21/00/76/335210076.db2.gz VFCDAMSUMKMURP-ROUUACIJSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000344197850 335224623 /nfs/dbraw/zinc/22/46/23/335224623.db2.gz BAVFPSNJINFKIT-UHFFFAOYSA-N 2 0 320.440 3.909 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000344202514 335224891 /nfs/dbraw/zinc/22/48/91/335224891.db2.gz ZSZKZQCSOMYYPN-AWEZNQCLSA-N 2 0 324.428 3.588 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000344171603 335227295 /nfs/dbraw/zinc/22/72/95/335227295.db2.gz AEVIHYPVCXTYML-DOTOQJQBSA-N 2 0 312.461 3.882 20 0 DHADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1Br ZINC000344293144 335237368 /nfs/dbraw/zinc/23/73/68/335237368.db2.gz HEPBVFRZUVIWOQ-INIZCTEOSA-N 2 0 323.278 3.752 20 0 DHADRP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863731 335247979 /nfs/dbraw/zinc/24/79/79/335247979.db2.gz HHSODGFJAQATKI-HNNXBMFYSA-N 2 0 313.445 3.697 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1sc(C)nc1C ZINC000344856328 335280156 /nfs/dbraw/zinc/28/01/56/335280156.db2.gz ZHOOFUWEDJKYER-HOTGVXAUSA-N 2 0 309.523 3.750 20 0 DHADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000344966598 335288468 /nfs/dbraw/zinc/28/84/68/335288468.db2.gz JUAXSMKAIDNEQS-ROUUACIJSA-N 2 0 304.503 3.656 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000165966222 335294778 /nfs/dbraw/zinc/29/47/78/335294778.db2.gz QBVLGRNOYBATBJ-JKSUJKDBSA-N 2 0 318.461 3.749 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000346141978 335380685 /nfs/dbraw/zinc/38/06/85/335380685.db2.gz ZFVRZRKONZXLNP-INIZCTEOSA-N 2 0 306.413 3.769 20 0 DHADRP CC[C@@H](C)[C@@H](C)[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000346145459 335381131 /nfs/dbraw/zinc/38/11/31/335381131.db2.gz SFJQGNDTMUNEJA-GDBMZVCRSA-N 2 0 312.461 3.975 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c3ncccc3c2)C[C@@H]1C ZINC000346161186 335383460 /nfs/dbraw/zinc/38/34/60/335383460.db2.gz DUXRQDSMBLSQGH-QFBILLFUSA-N 2 0 311.473 3.848 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c3ncccc3c2)C[C@@H]1C ZINC000346161185 335383591 /nfs/dbraw/zinc/38/35/91/335383591.db2.gz DUXRQDSMBLSQGH-LPHOPBHVSA-N 2 0 311.473 3.848 20 0 DHADRP CCSCC[C@@H](C)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346165631 335384410 /nfs/dbraw/zinc/38/44/10/335384410.db2.gz IEQOELRXLQSCSB-CQSZACIVSA-N 2 0 318.490 3.539 20 0 DHADRP Fc1ccc2oc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2c1 ZINC000347114226 335466913 /nfs/dbraw/zinc/46/69/13/335466913.db2.gz SUGCPAMBNPMBSS-QGZVFWFLSA-N 2 0 302.393 3.536 20 0 DHADRP C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348322358 335576902 /nfs/dbraw/zinc/57/69/02/335576902.db2.gz IMOSQSYLFIAPGW-OAHLLOKOSA-N 2 0 308.441 3.560 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(OC(F)(F)F)c1 ZINC000519402085 335844256 /nfs/dbraw/zinc/84/42/56/335844256.db2.gz XIGYHIGPTSNPPR-LBPRGKRZSA-N 2 0 324.346 3.895 20 0 DHADRP c1csc(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000520320776 335963979 /nfs/dbraw/zinc/96/39/79/335963979.db2.gz LWTIJFXNSSNESX-UHFFFAOYSA-N 2 0 323.465 3.661 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc3cc(F)ccc3o2)CC1 ZINC000351494440 336038289 /nfs/dbraw/zinc/03/82/89/336038289.db2.gz NQAHIWMIVYUCHF-UHFFFAOYSA-N 2 0 302.393 3.632 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(-c3ccncc3)c2)CC1 ZINC000351494481 336038463 /nfs/dbraw/zinc/03/84/63/336038463.db2.gz ODRYDEXVZOOMHF-UHFFFAOYSA-N 2 0 321.468 3.809 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)c1ccc(F)cc1 ZINC000526112979 336165681 /nfs/dbraw/zinc/16/56/81/336165681.db2.gz QPDLQGNIDZERLV-CQSZACIVSA-N 2 0 318.411 3.920 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000526114201 336179024 /nfs/dbraw/zinc/17/90/24/336179024.db2.gz MXSLFWQWGRJVPN-MRXNPFEDSA-N 2 0 306.469 3.981 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)C1CCOCC1 ZINC000532454547 336248243 /nfs/dbraw/zinc/24/82/43/336248243.db2.gz SIXPILRAXLPCJJ-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCN2CCC(C)CC2)cc1 ZINC000532459454 336248433 /nfs/dbraw/zinc/24/84/33/336248433.db2.gz SJBKNPWJFKAMEW-SJORKVTESA-N 2 0 304.478 3.509 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+]Cc1cscc1C(F)(F)F ZINC000352834993 336271732 /nfs/dbraw/zinc/27/17/32/336271732.db2.gz NDXGRDDCWMCRMR-SNVBAGLBSA-N 2 0 317.380 3.698 20 0 DHADRP Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000301354299 336302178 /nfs/dbraw/zinc/30/21/78/336302178.db2.gz JWMNITORYPNSCA-UHFFFAOYSA-N 2 0 309.457 3.855 20 0 DHADRP Cc1nccn1-c1ccc(CNc2ccnc3ccsc32)cn1 ZINC000301357868 336302292 /nfs/dbraw/zinc/30/22/92/336302292.db2.gz LAKRTHUSNPHNOH-UHFFFAOYSA-N 2 0 321.409 3.798 20 0 DHADRP Cc1ccnc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000301664687 336321815 /nfs/dbraw/zinc/32/18/15/336321815.db2.gz VZMPWIMAHJRIFF-RHSMWYFYSA-N 2 0 301.459 3.947 20 0 DHADRP C[NH+](C)CCCC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301913904 336337774 /nfs/dbraw/zinc/33/77/74/336337774.db2.gz HUMJHCWLYQPODA-UHFFFAOYSA-N 2 0 315.436 3.932 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000302028766 336344046 /nfs/dbraw/zinc/34/40/46/336344046.db2.gz JDYWLTICYILWBC-INIZCTEOSA-N 2 0 311.473 3.884 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000302057727 336346121 /nfs/dbraw/zinc/34/61/21/336346121.db2.gz QZZJJTJYOOAYLQ-CVEARBPZSA-N 2 0 309.457 3.779 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000514104394 336352179 /nfs/dbraw/zinc/35/21/79/336352179.db2.gz JMBSRBWXFOURKY-IPMKNSEASA-N 2 0 318.530 3.691 20 0 DHADRP Cc1cccc(N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000302800182 336369735 /nfs/dbraw/zinc/36/97/35/336369735.db2.gz BWUSDLDXOVMLSG-DOTOQJQBSA-N 2 0 303.356 3.526 20 0 DHADRP Fc1ccccc1SCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000261370580 336382520 /nfs/dbraw/zinc/38/25/20/336382520.db2.gz LTEVZTLGALGUPG-UHFFFAOYSA-N 2 0 322.493 3.726 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000563947630 336387863 /nfs/dbraw/zinc/38/78/63/336387863.db2.gz IDNWOLRPXIRPCM-ADEKHHIBSA-N 2 0 300.490 3.860 20 0 DHADRP CC[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000582245804 336392726 /nfs/dbraw/zinc/39/27/26/336392726.db2.gz ZIHUNTGMPBFPMC-SAABIXHNSA-N 2 0 301.478 3.604 20 0 DHADRP CSC1(C[NH2+]Cc2c(C)oc3ccccc32)CC[NH+](C)CC1 ZINC000353183175 336405931 /nfs/dbraw/zinc/40/59/31/336405931.db2.gz HGUCFABSWYSFKY-UHFFFAOYSA-N 2 0 318.486 3.658 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000353849435 336443835 /nfs/dbraw/zinc/44/38/35/336443835.db2.gz YLXPQNVSAJVJTE-OFLPRAFFSA-N 2 0 320.477 3.617 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000356107314 336535841 /nfs/dbraw/zinc/53/58/41/336535841.db2.gz GLDFRXJJUMOQKU-HKUYNNGSSA-N 2 0 322.537 3.802 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCCO2 ZINC000356862430 336563725 /nfs/dbraw/zinc/56/37/25/336563725.db2.gz ZSICQRVJRLQZNK-SFHVURJKSA-N 2 0 316.489 3.839 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(C)C ZINC000357838183 336600917 /nfs/dbraw/zinc/60/09/17/336600917.db2.gz WBWFNLWBYZFMLB-FQEVSTJZSA-N 2 0 318.505 3.679 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](CCCc2ccsc2)CC1 ZINC000360976187 336730663 /nfs/dbraw/zinc/73/06/63/336730663.db2.gz UZSRZEBSZOJOHT-UHFFFAOYSA-N 2 0 324.534 3.504 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000361763731 336771994 /nfs/dbraw/zinc/77/19/94/336771994.db2.gz FRKBDRYVZRICNH-IBGZPJMESA-N 2 0 316.489 3.920 20 0 DHADRP C[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO[C@@H]1C1CC1 ZINC000372097499 336921998 /nfs/dbraw/zinc/92/19/98/336921998.db2.gz ZUUSHDFMSYNQBZ-UXHICEINSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000375447090 337011201 /nfs/dbraw/zinc/01/12/01/337011201.db2.gz GQLKJCFPQRNWMV-WOJBJXKFSA-N 2 0 309.457 3.563 20 0 DHADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000375689535 337016586 /nfs/dbraw/zinc/01/65/86/337016586.db2.gz IESOZQSVBLIAHB-CMKODMSKSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376081328 337026528 /nfs/dbraw/zinc/02/65/28/337026528.db2.gz JOTVSEOFHJPFQZ-FPMFFAJLSA-N 2 0 310.894 3.745 20 0 DHADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000376489265 337034719 /nfs/dbraw/zinc/03/47/19/337034719.db2.gz CLYVXLFOBGOYCT-GOEBONIOSA-N 2 0 322.412 3.512 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000377121616 337047283 /nfs/dbraw/zinc/04/72/83/337047283.db2.gz WJNLARLHTSEXDC-TZIWHRDSSA-N 2 0 323.484 3.959 20 0 DHADRP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377629253 337056885 /nfs/dbraw/zinc/05/68/85/337056885.db2.gz SGQHUNIFAXYRLI-LEWJYISDSA-N 2 0 323.484 3.605 20 0 DHADRP C[C@@H](CC[NH2+]C1CC(c2ccccn2)C1)[N@H+](C)Cc1ccccc1 ZINC000377653407 337057693 /nfs/dbraw/zinc/05/76/93/337057693.db2.gz RSHVREFGLWLNSQ-KKXNLOMOSA-N 2 0 323.484 3.828 20 0 DHADRP Cc1ccc(F)cc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377699335 337058954 /nfs/dbraw/zinc/05/89/54/337058954.db2.gz LXJGCGMTEAAOQE-UHFFFAOYSA-N 2 0 313.420 3.630 20 0 DHADRP C[N@H+](Cc1cccc2[nH]ccc21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377706713 337059220 /nfs/dbraw/zinc/05/92/20/337059220.db2.gz VLMSPIRUMIKMQA-UHFFFAOYSA-N 2 0 320.440 3.664 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000377759335 337060205 /nfs/dbraw/zinc/06/02/05/337060205.db2.gz GCVUEEQCAHJBFU-FUHWJXTLSA-N 2 0 300.471 3.839 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000377763567 337060438 /nfs/dbraw/zinc/06/04/38/337060438.db2.gz RILJHZDSKWUFGC-NQIIRXRSSA-N 2 0 319.452 3.951 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)[C@@H]1c1ccccc1 ZINC000378513532 337074739 /nfs/dbraw/zinc/07/47/39/337074739.db2.gz BJIPCDQFQDFNFL-SQNIBIBYSA-N 2 0 316.489 3.615 20 0 DHADRP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)ccc1C ZINC000194231933 337086674 /nfs/dbraw/zinc/08/66/74/337086674.db2.gz USNSZBHGNPVBGR-UHFFFAOYSA-N 2 0 324.468 3.889 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1Cl ZINC000582482225 337096777 /nfs/dbraw/zinc/09/67/77/337096777.db2.gz HOXGBEAITPPBIE-LRVUVFPRSA-N 2 0 310.869 3.872 20 0 DHADRP Fc1ccc(C2CC([NH2+]CCCCC[NH+]3CCCC3)C2)cc1 ZINC000582501687 337099061 /nfs/dbraw/zinc/09/90/61/337099061.db2.gz PEIYYNZEDYVHOY-UHFFFAOYSA-N 2 0 304.453 3.927 20 0 DHADRP CC(C)[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000582502660 337099146 /nfs/dbraw/zinc/09/91/46/337099146.db2.gz NNGYSCIYZPVEIU-VQTJNVASSA-N 2 0 300.490 3.844 20 0 DHADRP Cc1nc2ccc(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2s1 ZINC000582546159 337103223 /nfs/dbraw/zinc/10/32/23/337103223.db2.gz CUDTYRWGXUFKCS-RDJZCZTQSA-N 2 0 315.486 3.711 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)s1 ZINC000178034423 337159917 /nfs/dbraw/zinc/15/99/17/337159917.db2.gz PXHBJUBTPCZTIH-FMKPAKJESA-N 2 0 324.534 3.905 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000178092065 337160469 /nfs/dbraw/zinc/16/04/69/337160469.db2.gz IBEKNIXXODSYTI-ROUUACIJSA-N 2 0 318.505 3.823 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000178753325 337164991 /nfs/dbraw/zinc/16/49/91/337164991.db2.gz IICMVWOAWMUFBE-GOSISDBHSA-N 2 0 318.505 3.823 20 0 DHADRP CC(C)OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180111405 337171430 /nfs/dbraw/zinc/17/14/30/337171430.db2.gz WIZUSXAXAKJCCJ-IHWFROFDSA-N 2 0 316.489 3.587 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180879968 337178346 /nfs/dbraw/zinc/17/83/46/337178346.db2.gz MWGVQOXITSRBHL-UHFFFAOYSA-N 2 0 300.402 3.503 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)o1 ZINC000184734695 337199162 /nfs/dbraw/zinc/19/91/62/337199162.db2.gz RGCKBCBBRBSYHF-INMHGKMJSA-N 2 0 313.445 3.591 20 0 DHADRP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000184731414 337199191 /nfs/dbraw/zinc/19/91/91/337199191.db2.gz OOJXLSSEFWDPQD-INIZCTEOSA-N 2 0 323.440 3.929 20 0 DHADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc(C)c1O ZINC000583051536 337230124 /nfs/dbraw/zinc/23/01/24/337230124.db2.gz UANCPPYLYLSWCC-HNNXBMFYSA-N 2 0 304.478 3.611 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CCSCC1 ZINC000186949646 337260567 /nfs/dbraw/zinc/26/05/67/337260567.db2.gz LWQVOXBWETVBTN-MRXNPFEDSA-N 2 0 318.530 3.904 20 0 DHADRP CC(C)OC1CC([NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000189536667 337280212 /nfs/dbraw/zinc/28/02/12/337280212.db2.gz NZZZIMSEXPGVLX-DZIBYMRMSA-N 2 0 316.489 3.758 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1F ZINC000398005947 337303600 /nfs/dbraw/zinc/30/36/00/337303600.db2.gz GWMZGKJMBSAUBY-OXQOHEQNSA-N 2 0 312.432 3.826 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192630201 337305904 /nfs/dbraw/zinc/30/59/04/337305904.db2.gz NPAUIZKIQFWVKN-RBUKOAKNSA-N 2 0 322.537 3.850 20 0 DHADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1Cl ZINC000192931810 337308594 /nfs/dbraw/zinc/30/85/94/337308594.db2.gz LMTJOKAEJFRXEA-UYTSQGDYSA-N 2 0 322.880 3.712 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1)CC(C)C ZINC000583756342 337330199 /nfs/dbraw/zinc/33/01/99/337330199.db2.gz ZQDBKUFJPXGJLJ-UXHICEINSA-N 2 0 324.553 3.618 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOc1cccc(C(C)(C)C)c1 ZINC000584477816 337347942 /nfs/dbraw/zinc/34/79/42/337347942.db2.gz XCNLHQREOYGCFY-NVXWUHKLSA-N 2 0 304.478 3.565 20 0 DHADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420263412 337497766 /nfs/dbraw/zinc/49/77/66/337497766.db2.gz SLTMIWJLCZXVEC-UONOGXRCSA-N 2 0 315.848 3.551 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000420407247 337500665 /nfs/dbraw/zinc/50/06/65/337500665.db2.gz OHVNBJSDGHDNOQ-OLZOCXBDSA-N 2 0 300.368 3.746 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)[C@H](C)c2ccccc2)cc1 ZINC000420418565 337500903 /nfs/dbraw/zinc/50/09/03/337500903.db2.gz WXFLMGLFGHZCCT-FRQCXROJSA-N 2 0 312.457 3.519 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000420422814 337501178 /nfs/dbraw/zinc/50/11/78/337501178.db2.gz ZTIMMWBWTMERQW-STQMWFEESA-N 2 0 316.367 3.626 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000421368716 337532800 /nfs/dbraw/zinc/53/28/00/337532800.db2.gz GHCBEQXHHHRUJM-BARLLCKDSA-N 2 0 301.478 3.570 20 0 DHADRP FC1(c2cccc(Cl)c2)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261759377 337609820 /nfs/dbraw/zinc/60/98/20/337609820.db2.gz MIEXIVHVXPLSSL-CQSZACIVSA-N 2 0 310.844 3.600 20 0 DHADRP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422686871 337683257 /nfs/dbraw/zinc/68/32/57/337683257.db2.gz AWKSKIOAVPDEFW-NHCUHLMSSA-N 2 0 323.484 3.763 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000422719542 337684078 /nfs/dbraw/zinc/68/40/78/337684078.db2.gz YQANPIXCQGYVSH-GOEBONIOSA-N 2 0 311.473 3.866 20 0 DHADRP COCCSc1ccc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422723174 337684172 /nfs/dbraw/zinc/68/41/72/337684172.db2.gz ZSUIZKBQSXLMMI-UQPPLGOBSA-N 2 0 322.518 3.593 20 0 DHADRP CCc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[NH+](C)C)cc1 ZINC000422734974 337684525 /nfs/dbraw/zinc/68/45/25/337684525.db2.gz VFRAYZZBQWXURU-NJYVYQBISA-N 2 0 323.484 3.586 20 0 DHADRP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422763427 337685530 /nfs/dbraw/zinc/68/55/30/337685530.db2.gz OPNKBILBKMHJKB-BRWVUGGUSA-N 2 0 300.471 3.912 20 0 DHADRP c1ccc(SCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422764933 337685613 /nfs/dbraw/zinc/68/56/13/337685613.db2.gz VOQAPXBNRILOCD-KZNAEPCWSA-N 2 0 304.503 3.679 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])oc21 ZINC000422784102 337686384 /nfs/dbraw/zinc/68/63/84/337686384.db2.gz LVEQDSJENDVSAG-UONOGXRCSA-N 2 0 304.434 4.000 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000422782988 337686414 /nfs/dbraw/zinc/68/64/14/337686414.db2.gz MLPPPJMNNYEQPM-DOXZYTNZSA-N 2 0 300.421 3.825 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000422797955 337687105 /nfs/dbraw/zinc/68/71/05/337687105.db2.gz PFLFLDPFOMTCST-YVEFUNNKSA-N 2 0 301.459 3.712 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2)cs1 ZINC000422800534 337687110 /nfs/dbraw/zinc/68/71/10/337687110.db2.gz CCPDXXKIVGSQEP-JCURWCKSSA-N 2 0 315.486 3.897 20 0 DHADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422815451 337687766 /nfs/dbraw/zinc/68/77/66/337687766.db2.gz BTJRECLWVNHMOW-XNRPHZJLSA-N 2 0 307.507 3.564 20 0 DHADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000422817355 337687998 /nfs/dbraw/zinc/68/79/98/337687998.db2.gz CXTMBNOWINAARP-MTQWCTHYSA-N 2 0 322.537 3.872 20 0 DHADRP COc1ccccc1[C@@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422818123 337688083 /nfs/dbraw/zinc/68/80/83/337688083.db2.gz FROVQYIYAYLWJD-IXEWLPCDSA-N 2 0 302.462 3.655 20 0 DHADRP Fc1cccc(C[C@@H]([NH2+]C2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000422825564 337688181 /nfs/dbraw/zinc/68/81/81/337688181.db2.gz JRTRPAUTRFNBHT-LJQANCHMSA-N 2 0 316.395 3.590 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCC[NH2+]CC3)c(C)c2c1 ZINC000422857919 337689126 /nfs/dbraw/zinc/68/91/26/337689126.db2.gz HPNBHARPRCQXIN-UONOGXRCSA-N 2 0 302.418 3.543 20 0 DHADRP CSc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422875233 337689518 /nfs/dbraw/zinc/68/95/18/337689518.db2.gz OPDJRZKRKPHQQW-ZDUSSCGKSA-N 2 0 315.486 3.730 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422887193 337690255 /nfs/dbraw/zinc/69/02/55/337690255.db2.gz KIUXNYKUHPJQRV-HRAATJIYSA-N 2 0 321.468 3.649 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422904243 337690509 /nfs/dbraw/zinc/69/05/09/337690509.db2.gz GMLIMJHTJHWVHZ-DOTOQJQBSA-N 2 0 304.503 3.809 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422904246 337690540 /nfs/dbraw/zinc/69/05/40/337690540.db2.gz GMLIMJHTJHWVHZ-WBVHZDCISA-N 2 0 304.503 3.809 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422908824 337690910 /nfs/dbraw/zinc/69/09/10/337690910.db2.gz ZMKSMWPSIFJZMR-DJIMGWMZSA-N 2 0 316.420 3.891 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422911057 337690952 /nfs/dbraw/zinc/69/09/52/337690952.db2.gz SBKRJOBMTNGDKY-GFCCVEGCSA-N 2 0 302.384 3.700 20 0 DHADRP CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917450 337691342 /nfs/dbraw/zinc/69/13/42/337691342.db2.gz DXJCYLDVWVWHIC-JHJVBQTASA-N 2 0 318.383 3.578 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000422918878 337691436 /nfs/dbraw/zinc/69/14/36/337691436.db2.gz IPXBJLCWCMEOBG-SJLPKXTDSA-N 2 0 308.510 3.626 20 0 DHADRP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919997 337691442 /nfs/dbraw/zinc/69/14/42/337691442.db2.gz LLEUBAOHLSJUJF-BVYOLEPJSA-N 2 0 302.462 3.657 20 0 DHADRP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422919999 337691473 /nfs/dbraw/zinc/69/14/73/337691473.db2.gz LLEUBAOHLSJUJF-MRHSLFKSSA-N 2 0 302.462 3.657 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000422937786 337692587 /nfs/dbraw/zinc/69/25/87/337692587.db2.gz OVCIHDVGQQSPHF-QAPCUYQASA-N 2 0 316.420 3.663 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccc(F)cc2)cc1 ZINC000422946296 337693194 /nfs/dbraw/zinc/69/31/94/337693194.db2.gz OSUZTXXNFGYUDN-PJIJBLCYSA-N 2 0 316.420 3.639 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000422998467 337694130 /nfs/dbraw/zinc/69/41/30/337694130.db2.gz CVMIGSYXZSCXHP-OALUTQOASA-N 2 0 304.478 3.652 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422957292 337694914 /nfs/dbraw/zinc/69/49/14/337694914.db2.gz NCUYXMXCFSITKY-NWDGAFQWSA-N 2 0 300.368 3.800 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000423052999 337697263 /nfs/dbraw/zinc/69/72/63/337697263.db2.gz RTELZKKXNKLQGG-KBPBESRZSA-N 2 0 320.864 3.898 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423069354 337698111 /nfs/dbraw/zinc/69/81/11/337698111.db2.gz AUQZDYLODLUTRB-IPMKNSEASA-N 2 0 301.478 3.519 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423072618 337698240 /nfs/dbraw/zinc/69/82/40/337698240.db2.gz PWGAWCUFGDBNGL-GFCCVEGCSA-N 2 0 302.384 3.700 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423080683 337698608 /nfs/dbraw/zinc/69/86/08/337698608.db2.gz ZVOMUMDISXSOGH-SLFFLAALSA-N 2 0 315.505 3.909 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000423085069 337698716 /nfs/dbraw/zinc/69/87/16/337698716.db2.gz JFRBTRYHCNTUGK-OTWHNJEPSA-N 2 0 316.489 3.583 20 0 DHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000423093129 337698947 /nfs/dbraw/zinc/69/89/47/337698947.db2.gz FWOUYTIMSLDEQD-ONSCTEFMSA-N 2 0 316.464 3.972 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095112 337699102 /nfs/dbraw/zinc/69/91/02/337699102.db2.gz DHQPTUTVDUIUQJ-QROZZAMVSA-N 2 0 310.844 3.832 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423109399 337699850 /nfs/dbraw/zinc/69/98/50/337699850.db2.gz SJFSGPPTMJWYGX-MNOVXSKESA-N 2 0 309.866 3.679 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423111589 337700181 /nfs/dbraw/zinc/70/01/81/337700181.db2.gz QQNLZRNOLKHCKT-FCEWJHQRSA-N 2 0 304.478 3.555 20 0 DHADRP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423115794 337700248 /nfs/dbraw/zinc/70/02/48/337700248.db2.gz YSCAIEXTMBQHRR-YZGWKJHDSA-N 2 0 311.473 3.877 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113861 337700310 /nfs/dbraw/zinc/70/03/10/337700310.db2.gz ZKOKYDOHEGLLDW-KGLIPLIRSA-N 2 0 300.899 3.974 20 0 DHADRP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423120364 337700505 /nfs/dbraw/zinc/70/05/05/337700505.db2.gz GEENKFYGHOSWKO-CABNGKKXSA-N 2 0 310.894 3.899 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423125786 337700552 /nfs/dbraw/zinc/70/05/52/337700552.db2.gz AFXQFIONHJWATB-QWRGUYRKSA-N 2 0 317.246 3.756 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423135985 337701246 /nfs/dbraw/zinc/70/12/46/337701246.db2.gz OULGYLUUBJRHNL-DVWBAYGPSA-N 2 0 308.469 3.728 20 0 DHADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000423164226 337702119 /nfs/dbraw/zinc/70/21/19/337702119.db2.gz SLEVICPLXUDPTO-NLWGTHIKSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423168305 337702199 /nfs/dbraw/zinc/70/21/99/337702199.db2.gz UFWYGQAJGVNWIK-SIXWZSSISA-N 2 0 302.462 3.657 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc2O1 ZINC000423166443 337702263 /nfs/dbraw/zinc/70/22/63/337702263.db2.gz ZFQSTJPHCWITRK-POGZOPGASA-N 2 0 314.473 3.799 20 0 DHADRP CC[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CC(F)(F)F ZINC000423189469 337703072 /nfs/dbraw/zinc/70/30/72/337703072.db2.gz REMQOXAYSDRBTP-YDHLFZDLSA-N 2 0 302.384 3.513 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423212376 337704506 /nfs/dbraw/zinc/70/45/06/337704506.db2.gz IJAMLWVLNBUNRT-QMTMVMCOSA-N 2 0 312.457 3.887 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423214332 337704545 /nfs/dbraw/zinc/70/45/45/337704545.db2.gz OQFFBVJTOORMST-UONOGXRCSA-N 2 0 310.869 3.777 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000423214678 337704704 /nfs/dbraw/zinc/70/47/04/337704704.db2.gz LTLOYRQXSMSMPB-LADRWXRNSA-N 2 0 302.462 3.786 20 0 DHADRP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423219092 337705149 /nfs/dbraw/zinc/70/51/49/337705149.db2.gz WBLXDEPKUMJSEN-VQIMIIECSA-N 2 0 304.478 3.762 20 0 DHADRP Fc1ccccc1C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423244522 337706968 /nfs/dbraw/zinc/70/69/68/337706968.db2.gz HOXHUWKIAVITLR-UZLBHIALSA-N 2 0 312.432 3.699 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000423252023 337707414 /nfs/dbraw/zinc/70/74/14/337707414.db2.gz SVPKHTJUNHELKO-JKSUJKDBSA-N 2 0 320.477 3.524 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423253091 337707525 /nfs/dbraw/zinc/70/75/25/337707525.db2.gz VCAKKPAWBDFCMX-XYJFISCASA-N 2 0 306.881 3.640 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423256042 337707761 /nfs/dbraw/zinc/70/77/61/337707761.db2.gz DGFUTHZCHKHOPH-GJZGRUSLSA-N 2 0 315.486 3.850 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423264846 337708110 /nfs/dbraw/zinc/70/81/10/337708110.db2.gz ZLKXWRAWVCMAEV-OLZOCXBDSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423264848 337708152 /nfs/dbraw/zinc/70/81/52/337708152.db2.gz ZLKXWRAWVCMAEV-QWHCGFSZSA-N 2 0 316.367 3.626 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423278381 337709071 /nfs/dbraw/zinc/70/90/71/337709071.db2.gz PSVSDPHRDLFHSP-AEFFLSMTSA-N 2 0 323.569 3.773 20 0 DHADRP COc1cc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)ccc1F ZINC000423293851 337710572 /nfs/dbraw/zinc/71/05/72/337710572.db2.gz SFYKVNYJOQTTIJ-OLZOCXBDSA-N 2 0 302.393 3.705 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423300605 337711216 /nfs/dbraw/zinc/71/12/16/337711216.db2.gz SASVODMWLFRKKG-BXUZGUMPSA-N 2 0 319.449 3.511 20 0 DHADRP Clc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1Cl ZINC000423330226 337712251 /nfs/dbraw/zinc/71/22/51/337712251.db2.gz BPLSHZUODIMRJC-MRXNPFEDSA-N 2 0 311.256 3.954 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423331438 337712423 /nfs/dbraw/zinc/71/24/23/337712423.db2.gz OJGRWOAQJHLZQG-DOMZBBRYSA-N 2 0 300.368 3.746 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423340276 337712819 /nfs/dbraw/zinc/71/28/19/337712819.db2.gz VVIIOEFZALCWCZ-CYBMUJFWSA-N 2 0 312.404 3.637 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423343845 337713150 /nfs/dbraw/zinc/71/31/50/337713150.db2.gz XISXAFIJWGKPMM-UZLBHIALSA-N 2 0 309.457 3.789 20 0 DHADRP CC1(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000423344298 337713187 /nfs/dbraw/zinc/71/31/87/337713187.db2.gz XOQUNVMPTQMTIB-CQSZACIVSA-N 2 0 310.894 3.856 20 0 DHADRP Fc1ccc(C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423350857 337713437 /nfs/dbraw/zinc/71/34/37/337713437.db2.gz GWATZLIOWFSDFD-FQEVSTJZSA-N 2 0 310.416 3.619 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423350707 337713515 /nfs/dbraw/zinc/71/35/15/337713515.db2.gz GRIVNUYKHPTDFW-CYBMUJFWSA-N 2 0 312.379 3.536 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C12CCCCC2 ZINC000423405699 337715993 /nfs/dbraw/zinc/71/59/93/337715993.db2.gz YIFNAVSYEUONAT-RBUKOAKNSA-N 2 0 314.473 3.507 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C1CCCC1 ZINC000423408273 337716205 /nfs/dbraw/zinc/71/62/05/337716205.db2.gz XDYJVRKNCIJCQF-LSBZLQRGSA-N 2 0 302.462 3.514 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423422719 337716890 /nfs/dbraw/zinc/71/68/90/337716890.db2.gz DIQXWIWXVJNOOU-ABAIWWIYSA-N 2 0 316.367 3.680 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423424617 337716993 /nfs/dbraw/zinc/71/69/93/337716993.db2.gz FZCZOVIFZQGOGH-MGPQQGTHSA-N 2 0 305.491 3.895 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)c(F)c1 ZINC000423395767 337718758 /nfs/dbraw/zinc/71/87/58/337718758.db2.gz RXFICSUUXKXOQO-MVWJERBFSA-N 2 0 315.230 3.509 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423433540 337718899 /nfs/dbraw/zinc/71/88/99/337718899.db2.gz NDJLOVXAJOKGEL-OLZOCXBDSA-N 2 0 318.490 3.682 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423434865 337718984 /nfs/dbraw/zinc/71/89/84/337718984.db2.gz YJPJJLHQLQVSOP-JFIYKMOQSA-N 2 0 302.462 3.563 20 0 DHADRP c1csc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCCC2)c1 ZINC000423444398 337719546 /nfs/dbraw/zinc/71/95/46/337719546.db2.gz RBNOVVFKBHCLPF-LZLYRXPVSA-N 2 0 304.503 3.957 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1Cl ZINC000423446446 337719670 /nfs/dbraw/zinc/71/96/70/337719670.db2.gz CPWLNLJIYNIZRZ-HUUCEWRRSA-N 2 0 312.885 3.913 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cs2)cs1 ZINC000423454242 337720298 /nfs/dbraw/zinc/72/02/98/337720298.db2.gz LKQCZZCBBJBDEW-QWRGUYRKSA-N 2 0 309.504 3.958 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000423460636 337720536 /nfs/dbraw/zinc/72/05/36/337720536.db2.gz MUDRWJFIJLUFFL-YWPYICTPSA-N 2 0 310.894 3.984 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423461574 337720617 /nfs/dbraw/zinc/72/06/17/337720617.db2.gz SXRKWDPTBBFMOG-IJLUTSLNSA-N 2 0 319.276 3.866 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1nc(-c2ccccc2)cs1 ZINC000423473298 337721322 /nfs/dbraw/zinc/72/13/22/337721322.db2.gz GRVRVCGYWHIZLW-GDBMZVCRSA-N 2 0 315.486 3.993 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423472783 337721339 /nfs/dbraw/zinc/72/13/39/337721339.db2.gz GEECDXDBXGFPBW-IUODEOHRSA-N 2 0 311.267 3.632 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423473940 337721497 /nfs/dbraw/zinc/72/14/97/337721497.db2.gz HAKIIOHZUDAQLJ-GOEBONIOSA-N 2 0 308.853 3.676 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000423482216 337721990 /nfs/dbraw/zinc/72/19/90/337721990.db2.gz OVLPNYBUGXDLIW-SOUVJXGZSA-N 2 0 317.502 3.910 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423486439 337722306 /nfs/dbraw/zinc/72/23/06/337722306.db2.gz SSXIVQBAKDVBLU-SWLSCSKDSA-N 2 0 310.894 3.999 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]CCC[C@@H]3CCC[NH2+]3)oc21 ZINC000423487585 337722334 /nfs/dbraw/zinc/72/23/34/337722334.db2.gz UKTZDHOUWHXVRI-UKRRQHHQSA-N 2 0 302.418 3.624 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423487971 337722494 /nfs/dbraw/zinc/72/24/94/337722494.db2.gz VBKONSAJQGUHTF-TZMCWYRMSA-N 2 0 309.523 3.932 20 0 DHADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423490675 337722545 /nfs/dbraw/zinc/72/25/45/337722545.db2.gz XYBMMVUFKAYQLH-ZFWWWQNUSA-N 2 0 312.404 3.861 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCCO2 ZINC000423492124 337722693 /nfs/dbraw/zinc/72/26/93/337722693.db2.gz LVQGWUHNOJXRNJ-WOSRLPQWSA-N 2 0 308.853 3.579 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCCO2 ZINC000423492123 337722707 /nfs/dbraw/zinc/72/27/07/337722707.db2.gz LVQGWUHNOJXRNJ-HEHGZKQESA-N 2 0 308.853 3.579 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000423495221 337722769 /nfs/dbraw/zinc/72/27/69/337722769.db2.gz UBAJPEBWACVNSA-XJKCOSOUSA-N 2 0 300.471 3.996 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCCO2 ZINC000423495823 337722967 /nfs/dbraw/zinc/72/29/67/337722967.db2.gz VOWREYAMLBQPSJ-YXJHDRRASA-N 2 0 302.462 3.741 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCCO2 ZINC000423495820 337723051 /nfs/dbraw/zinc/72/30/51/337723051.db2.gz VOWREYAMLBQPSJ-UWWQBHOKSA-N 2 0 302.462 3.741 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000423500836 337723295 /nfs/dbraw/zinc/72/32/95/337723295.db2.gz JBWKDOVJMJMOBT-XHSDSOJGSA-N 2 0 324.896 3.913 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2cccc(F)c2)c1 ZINC000423509261 337723808 /nfs/dbraw/zinc/72/38/08/337723808.db2.gz ONLYJGMTPNWWGE-XPGWFJOJSA-N 2 0 312.432 3.941 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C12CCCC2 ZINC000423511568 337723957 /nfs/dbraw/zinc/72/39/57/337723957.db2.gz NOJPVGWCEIIZBR-GBESFXJTSA-N 2 0 316.489 3.794 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCS2 ZINC000423535084 337724766 /nfs/dbraw/zinc/72/47/66/337724766.db2.gz BZAWZHFCTDJDHU-KRWDZBQOSA-N 2 0 302.487 3.740 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534597 337724800 /nfs/dbraw/zinc/72/48/00/337724800.db2.gz AKFPPJQSJLQZJH-KRWDZBQOSA-N 2 0 320.864 3.762 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423543590 337725353 /nfs/dbraw/zinc/72/53/53/337725353.db2.gz NIIMDZHXKADBCG-UQMUNDGNSA-N 2 0 312.501 3.937 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000423547621 337725445 /nfs/dbraw/zinc/72/54/45/337725445.db2.gz QBTCLQDGNVWWSN-MWDXBVQZSA-N 2 0 324.468 3.887 20 0 DHADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423549706 337725455 /nfs/dbraw/zinc/72/54/55/337725455.db2.gz IBAMTWBYNIFJFW-MRXNPFEDSA-N 2 0 323.278 3.800 20 0 DHADRP CCSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423552459 337725484 /nfs/dbraw/zinc/72/54/84/337725484.db2.gz UYZXMBYJQPOVOS-QMCVQRASSA-N 2 0 304.503 3.837 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093405337 337916588 /nfs/dbraw/zinc/91/65/88/337916588.db2.gz WFSYRBDBQKYOSK-GOSISDBHSA-N 2 0 304.478 3.776 20 0 DHADRP CCc1oc2ccccc2c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000315579825 337989738 /nfs/dbraw/zinc/98/97/38/337989738.db2.gz OKFLWOZQVDDZNM-HNNXBMFYSA-N 2 0 300.446 3.817 20 0 DHADRP COCC[NH2+]C1CC[NH+]([C@H](C)c2cccc3ccccc32)CC1 ZINC000516076786 338004005 /nfs/dbraw/zinc/00/40/05/338004005.db2.gz WXCMCQPLQPDBIA-MRXNPFEDSA-N 2 0 312.457 3.601 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000516127335 338004658 /nfs/dbraw/zinc/00/46/58/338004658.db2.gz DCHMJRIUHBAYIW-MOPGFXCFSA-N 2 0 315.505 3.738 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cc2C)[C@H](C)C1 ZINC000426303279 338025768 /nfs/dbraw/zinc/02/57/68/338025768.db2.gz LZKBFAKWIOIZCY-IEBWSBKVSA-N 2 0 302.506 3.901 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000426345725 338028165 /nfs/dbraw/zinc/02/81/65/338028165.db2.gz ARAJPIBPIPOZOG-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP COCC(C)(C)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000426419001 338031615 /nfs/dbraw/zinc/03/16/15/338031615.db2.gz ZHQZDGORFPEFTQ-UHFFFAOYSA-N 2 0 318.505 3.503 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC(C)C)c2ccccc2)[C@@H](C)C1 ZINC000428406273 338050411 /nfs/dbraw/zinc/05/04/11/338050411.db2.gz VPBRSVVJDAJTGZ-YSIASYRMSA-N 2 0 318.505 3.815 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC(C)C)c2ccccc2)[C@H](C)C1 ZINC000428406275 338050472 /nfs/dbraw/zinc/05/04/72/338050472.db2.gz VPBRSVVJDAJTGZ-YZGWKJHDSA-N 2 0 318.505 3.815 20 0 DHADRP CC(C)O[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000428440588 338051639 /nfs/dbraw/zinc/05/16/39/338051639.db2.gz FJCRJWFWSFHEKQ-HXUWFJFHSA-N 2 0 318.505 3.816 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCOc3cccc4ccccc43)C2)C1 ZINC000429031141 338069337 /nfs/dbraw/zinc/06/93/37/338069337.db2.gz SSYPHCXGJXKBCG-OAQYLSRUSA-N 2 0 324.468 3.636 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429039279 338069483 /nfs/dbraw/zinc/06/94/83/338069483.db2.gz HOMWHJVSSZBSIX-OAQYLSRUSA-N 2 0 306.453 3.881 20 0 DHADRP C[N@@H+]1CC[C@]2(CCN(CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036020 338069584 /nfs/dbraw/zinc/06/95/84/338069584.db2.gz ORUUCUDMLZCVCC-INIZCTEOSA-N 2 0 313.272 3.564 20 0 DHADRP COC1(C[C@H](C)[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)CCC1 ZINC000429525179 338082956 /nfs/dbraw/zinc/08/29/56/338082956.db2.gz AKDVQHVGQOVDHK-YQVWRLOYSA-N 2 0 316.489 3.759 20 0 DHADRP Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000429526405 338082994 /nfs/dbraw/zinc/08/29/94/338082994.db2.gz HHDVFTDHVWFGRJ-OAHLLOKOSA-N 2 0 319.474 3.628 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC2(OC)CCC2)c1 ZINC000429538760 338083272 /nfs/dbraw/zinc/08/32/72/338083272.db2.gz PSVBJZSUCROGIS-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP C[N@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709596 338088034 /nfs/dbraw/zinc/08/80/34/338088034.db2.gz QWMSJVZZLWGREB-FQEVSTJZSA-N 2 0 316.489 3.542 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)C1 ZINC000431347773 338128844 /nfs/dbraw/zinc/12/88/44/338128844.db2.gz HNGMHDSCZIYECL-LPHOPBHVSA-N 2 0 316.489 3.955 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432249361 338150747 /nfs/dbraw/zinc/15/07/47/338150747.db2.gz FAPWVMORBSTZJY-UHFFFAOYSA-N 2 0 319.251 3.954 20 0 DHADRP CCC[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432360301 338154089 /nfs/dbraw/zinc/15/40/89/338154089.db2.gz VRXYFHSPIAHODX-ICSRJNTNSA-N 2 0 318.505 3.661 20 0 DHADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCCc3ccccc32)CCCO1 ZINC000432416928 338155650 /nfs/dbraw/zinc/15/56/50/338155650.db2.gz STPYCYQGOKHQGP-PXNSSMCTSA-N 2 0 316.489 3.545 20 0 DHADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000432419195 338155790 /nfs/dbraw/zinc/15/57/90/338155790.db2.gz ZVIVDRAMAWHXBG-DOTOQJQBSA-N 2 0 310.507 3.680 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC(C)(C)C2)C[C@H](C)O1 ZINC000433165116 338183640 /nfs/dbraw/zinc/18/36/40/338183640.db2.gz TVQILLCFLXYGRV-IYBDPMFKSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CC(C)(C)C1 ZINC000433292109 338189803 /nfs/dbraw/zinc/18/98/03/338189803.db2.gz WGRDAEXQTRPTNA-HZPDHXFCSA-N 2 0 300.490 3.921 20 0 DHADRP c1csc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425660 338239806 /nfs/dbraw/zinc/23/98/06/338239806.db2.gz DZQPMHJNSTZWTR-MRXNPFEDSA-N 2 0 318.511 3.954 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000435746070 338247730 /nfs/dbraw/zinc/24/77/30/338247730.db2.gz SWJWURHCTLWQQF-QXAKKESOSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436267480 338264407 /nfs/dbraw/zinc/26/44/07/338264407.db2.gz DBBCFTCGJZUWAN-CQSZACIVSA-N 2 0 303.425 3.661 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436267478 338264527 /nfs/dbraw/zinc/26/45/27/338264527.db2.gz DBBCFTCGJZUWAN-AWEZNQCLSA-N 2 0 303.425 3.661 20 0 DHADRP COCCC1(C[NH2+]CCC[NH+]2CCC(C)CC2)CCCCC1 ZINC000436270775 338264831 /nfs/dbraw/zinc/26/48/31/338264831.db2.gz BKBZDMGFOADWKW-UHFFFAOYSA-N 2 0 310.526 3.685 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436274961 338265066 /nfs/dbraw/zinc/26/50/66/338265066.db2.gz NXNZYOHNCKHSCO-VAMGGRTRSA-N 2 0 300.490 3.719 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436284996 338265940 /nfs/dbraw/zinc/26/59/40/338265940.db2.gz ZWSYOLJZMRQWJM-ZCNNSNEGSA-N 2 0 300.490 3.719 20 0 DHADRP COCCC1(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)CCCCC1 ZINC000436422141 338272218 /nfs/dbraw/zinc/27/22/18/338272218.db2.gz YORBWYMOFLEGLO-SFHVURJKSA-N 2 0 310.526 3.828 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437756024 338320139 /nfs/dbraw/zinc/32/01/39/338320139.db2.gz FTFAQVWFIVOUMS-RLLQIKCJSA-N 2 0 300.490 3.818 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000437777594 338321076 /nfs/dbraw/zinc/32/10/76/338321076.db2.gz TXSOPQNSGPOYGZ-ZYKFHVCXSA-N 2 0 316.489 3.969 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+]CCC(C)(C)C)CC2)cc1 ZINC000438213814 338336880 /nfs/dbraw/zinc/33/68/80/338336880.db2.gz JFYBDPSAZSJAEC-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438222634 338337191 /nfs/dbraw/zinc/33/71/91/338337191.db2.gz ZUEGHAAGKGZJDL-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP Cc1cccc(C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000447568340 338557583 /nfs/dbraw/zinc/55/75/83/338557583.db2.gz JDTQHVNXJGXGDE-NRFANRHFSA-N 2 0 312.501 3.780 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449068057 338590222 /nfs/dbraw/zinc/59/02/22/338590222.db2.gz QMLIXIPSPLFYOB-UHFFFAOYSA-N 2 0 308.510 3.719 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000449103441 338593737 /nfs/dbraw/zinc/59/37/37/338593737.db2.gz ATKGYZKPJHYWLO-FUHWJXTLSA-N 2 0 308.897 3.983 20 0 DHADRP CC[C@@H](CSC)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449207339 338602517 /nfs/dbraw/zinc/60/25/17/338602517.db2.gz QWBYBKPEXYYFJB-WMZOPIPTSA-N 2 0 320.546 3.813 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000449230993 338604765 /nfs/dbraw/zinc/60/47/65/338604765.db2.gz NFXRNBGJGZUYML-HNNXBMFYSA-N 2 0 300.446 3.685 20 0 DHADRP CC(C)OC1CC([N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000459354505 339023917 /nfs/dbraw/zinc/02/39/17/339023917.db2.gz XWVUJCABDVQHFV-FKAKGIQBSA-N 2 0 308.510 3.529 20 0 DHADRP CC(C)OC1CC([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000459385076 339026272 /nfs/dbraw/zinc/02/62/72/339026272.db2.gz ZDXYCTNZSZHOLV-UHFFFAOYSA-N 2 0 308.510 3.530 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C2CC(OC(C)C)C2)CC1)CC1CC1 ZINC000459463847 339030571 /nfs/dbraw/zinc/03/05/71/339030571.db2.gz HRZKLKMXKDJBNB-UHFFFAOYSA-N 2 0 322.537 3.776 20 0 DHADRP Cn1cncc1CC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000459474488 339031429 /nfs/dbraw/zinc/03/14/29/339031429.db2.gz XXVZFFFNNUYRAQ-UHFFFAOYSA-N 2 0 321.827 3.667 20 0 DHADRP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459500529 339032858 /nfs/dbraw/zinc/03/28/58/339032858.db2.gz CGFAUQUPWYJWNJ-HNNXBMFYSA-N 2 0 315.383 3.617 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000459526516 339034121 /nfs/dbraw/zinc/03/41/21/339034121.db2.gz ONXQBKBPRMSTLM-UHFFFAOYSA-N 2 0 314.473 3.582 20 0 DHADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000459537482 339034658 /nfs/dbraw/zinc/03/46/58/339034658.db2.gz YDSFFNRNFRFLED-ZACQAIPSSA-N 2 0 301.478 3.712 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459577575 339036870 /nfs/dbraw/zinc/03/68/70/339036870.db2.gz HLMYVIPOCNPRFT-UHFFFAOYSA-N 2 0 303.475 3.870 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000459723733 339044446 /nfs/dbraw/zinc/04/44/46/339044446.db2.gz CRYBNEWDTYXKFB-ZDUSSCGKSA-N 2 0 321.515 3.693 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728034 339044759 /nfs/dbraw/zinc/04/47/59/339044759.db2.gz CLDFHTSKIZBYSW-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000459740525 339045523 /nfs/dbraw/zinc/04/55/23/339045523.db2.gz UOBLWZICBIIYNN-QGZVFWFLSA-N 2 0 309.457 3.570 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459795401 339048886 /nfs/dbraw/zinc/04/88/86/339048886.db2.gz VFIIUPXWVIKTGA-ZACQAIPSSA-N 2 0 304.478 3.509 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459794900 339048936 /nfs/dbraw/zinc/04/89/36/339048936.db2.gz UWYUQRYMPMMDTA-KJCUYJGMSA-N 2 0 316.489 3.558 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000459798367 339049167 /nfs/dbraw/zinc/04/91/67/339049167.db2.gz XLXVLIIHHVIEKI-KBPBESRZSA-N 2 0 310.482 3.930 20 0 DHADRP CCC(CC)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000462116750 339072458 /nfs/dbraw/zinc/07/24/58/339072458.db2.gz QDMFJBDHPUHPEF-HNNXBMFYSA-N 2 0 321.484 3.807 20 0 DHADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1Cl ZINC000462807871 339090463 /nfs/dbraw/zinc/09/04/63/339090463.db2.gz BROHUGYCFSWRDQ-JQHSSLGASA-N 2 0 306.881 3.653 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C(C)C ZINC000466345363 339200062 /nfs/dbraw/zinc/20/00/62/339200062.db2.gz FASLOUVQRVNBCN-IPMKNSEASA-N 2 0 310.526 3.680 20 0 DHADRP CCN(CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000467357144 339233788 /nfs/dbraw/zinc/23/37/88/339233788.db2.gz ZVESIGJMNJDZGR-ZDUSSCGKSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000468034556 339252020 /nfs/dbraw/zinc/25/20/20/339252020.db2.gz XAFMEJHRCKHLJA-IPYPFGDCSA-N 2 0 306.416 3.960 20 0 DHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000469851792 339302665 /nfs/dbraw/zinc/30/26/65/339302665.db2.gz LYSAYBNMZJMMNU-OCCSQVGLSA-N 2 0 304.434 3.723 20 0 DHADRP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)s2)cc1 ZINC000469993636 339307268 /nfs/dbraw/zinc/30/72/68/339307268.db2.gz UYRTZIDUFGBAHA-YOEHRIQHSA-N 2 0 300.471 3.893 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000470003668 339308066 /nfs/dbraw/zinc/30/80/66/339308066.db2.gz NFETWUDBMPDXIV-UHFFFAOYSA-N 2 0 300.446 3.871 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000470165055 339312380 /nfs/dbraw/zinc/31/23/80/339312380.db2.gz CTSANDQPNJQAPN-IFXJQAMLSA-N 2 0 313.489 3.913 20 0 DHADRP Clc1cccc(OCCN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000470198724 339313929 /nfs/dbraw/zinc/31/39/29/339313929.db2.gz ANESKIXGJOUCQW-MRXNPFEDSA-N 2 0 322.880 3.527 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(Cl)c2)C[C@H]1C ZINC000470201507 339314060 /nfs/dbraw/zinc/31/40/60/339314060.db2.gz HVCTVGOJCKSECY-ZBFHGGJFSA-N 2 0 310.869 3.523 20 0 DHADRP C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472446655 339372068 /nfs/dbraw/zinc/37/20/68/339372068.db2.gz AMHFTTPTLWVJJA-FXAWDEMLSA-N 2 0 300.490 3.671 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474041211 339398536 /nfs/dbraw/zinc/39/85/36/339398536.db2.gz GKWWTXJJOWMTNW-AWEZNQCLSA-N 2 0 302.453 3.912 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1CCC(F)(F)CC1 ZINC000474048993 339399157 /nfs/dbraw/zinc/39/91/57/339399157.db2.gz ZBMMFZJEHALSMI-LSDHHAIUSA-N 2 0 302.453 3.912 20 0 DHADRP C(CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)CC[NH+]1CCCCC1 ZINC000474054812 339399526 /nfs/dbraw/zinc/39/95/26/339399526.db2.gz JTOGGEZLGRMYBY-SLFFLAALSA-N 2 0 322.537 3.828 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CCCCC1 ZINC000474053300 339399541 /nfs/dbraw/zinc/39/95/41/339399541.db2.gz COONGGUPMQIKQW-DFQSSKMNSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000474057032 339399644 /nfs/dbraw/zinc/39/96/44/339399644.db2.gz VXYJYPRLOQMVMT-LJDSDSDDSA-N 2 0 322.537 3.539 20 0 DHADRP CC(C)[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000479460507 339536194 /nfs/dbraw/zinc/53/61/94/339536194.db2.gz KZLLPZHADDYHGJ-KRWDZBQOSA-N 2 0 310.432 3.983 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000482947379 339647900 /nfs/dbraw/zinc/64/79/00/339647900.db2.gz LLCPAPBVPRMIQV-LJQANCHMSA-N 2 0 316.489 3.928 20 0 DHADRP CC[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000484495732 339688051 /nfs/dbraw/zinc/68/80/51/339688051.db2.gz GHCQUYUVWDJQMI-BXWFABGCSA-N 2 0 300.490 3.921 20 0 DHADRP Cc1[nH+]ccc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1Cl ZINC000486451681 339727537 /nfs/dbraw/zinc/72/75/37/339727537.db2.gz YAQWXSAAOQSSQX-INIZCTEOSA-N 2 0 321.896 3.992 20 0 DHADRP C(=C/c1ccncc1)\C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000486933709 339738617 /nfs/dbraw/zinc/73/86/17/339738617.db2.gz AIERBAWWNDQGLO-SNAWJCMRSA-N 2 0 321.468 3.871 20 0 DHADRP c1cc(C[NH2+]C[C@H]2CCSC2)cc(C[NH+]2CCCCCC2)c1 ZINC000486975495 339740971 /nfs/dbraw/zinc/74/09/71/339740971.db2.gz ZMDOQLGRDLRNQO-LJQANCHMSA-N 2 0 318.530 3.905 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1F ZINC000486976608 339741092 /nfs/dbraw/zinc/74/10/92/339741092.db2.gz ZINJDKYIZXSBCK-UHFFFAOYSA-N 2 0 322.468 3.826 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C/C=C/c3ccncc3)CC2)CC1 ZINC000487571330 339757977 /nfs/dbraw/zinc/75/79/77/339757977.db2.gz ITNCONJRXAOLIK-NSCUHMNNSA-N 2 0 313.489 3.728 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488428825 339781582 /nfs/dbraw/zinc/78/15/82/339781582.db2.gz LOWCJGYJCAMXEM-MSOLQXFVSA-N 2 0 312.567 3.864 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000494581103 339953956 /nfs/dbraw/zinc/95/39/56/339953956.db2.gz WPUOSOBYJFNVHZ-UHFFFAOYSA-N 2 0 305.510 3.933 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499910357 340046964 /nfs/dbraw/zinc/04/69/64/340046964.db2.gz WKBBOGZJKSVCCD-AWEZNQCLSA-N 2 0 312.404 3.767 20 0 DHADRP CC(C)OC[C@H](C)[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000500445667 340058987 /nfs/dbraw/zinc/05/89/87/340058987.db2.gz JFKHHUNHTXSSMC-HKUYNNGSSA-N 2 0 306.494 3.546 20 0 DHADRP C[N@H+](CCC1CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501070302 340073700 /nfs/dbraw/zinc/07/37/00/340073700.db2.gz SNMNRIGAJDLMOB-UHFFFAOYSA-N 2 0 301.478 3.810 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000501375478 340079465 /nfs/dbraw/zinc/07/94/65/340079465.db2.gz BNVCCHQAFBZDJI-MSOLQXFVSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000501416394 340080422 /nfs/dbraw/zinc/08/04/22/340080422.db2.gz DOSVSYBATUJXSA-MSOLQXFVSA-N 2 0 318.505 3.964 20 0 DHADRP CCc1cc(OC)ccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000502265443 340098062 /nfs/dbraw/zinc/09/80/62/340098062.db2.gz BETYTVNJMRQMHH-MAUKXSAKSA-N 2 0 304.478 3.562 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502687306 340110634 /nfs/dbraw/zinc/11/06/34/340110634.db2.gz QATFIOXOFIOYLX-RDGPPVDQSA-N 2 0 310.526 3.539 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1F ZINC000503009687 340118602 /nfs/dbraw/zinc/11/86/02/340118602.db2.gz GDRCJDCTJMACLC-MOPGFXCFSA-N 2 0 312.432 3.781 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000503030093 340119135 /nfs/dbraw/zinc/11/91/35/340119135.db2.gz AXFCIUZEIFIRPJ-MISYRCLQSA-N 2 0 300.490 3.892 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000503033663 340119272 /nfs/dbraw/zinc/11/92/72/340119272.db2.gz JCOGSDAZJVBMEQ-CTNGQTDRSA-N 2 0 324.468 3.520 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000503081928 340120573 /nfs/dbraw/zinc/12/05/73/340120573.db2.gz UJOYGUJWQZCQFG-PMACEKPBSA-N 2 0 300.490 3.816 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)CCO1 ZINC000503556103 340130272 /nfs/dbraw/zinc/13/02/72/340130272.db2.gz BGITWCLDPQEEIK-HCXYKTFWSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000504896355 340154934 /nfs/dbraw/zinc/15/49/34/340154934.db2.gz YGUCFBOXMAHBLV-IHJVYAAUSA-N 2 0 300.490 3.817 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400988922 340159568 /nfs/dbraw/zinc/15/95/68/340159568.db2.gz WWQZDMCCDSWXIK-XOYOTBSWSA-N 2 0 302.462 3.513 20 0 DHADRP COc1cccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506595761 340197333 /nfs/dbraw/zinc/19/73/33/340197333.db2.gz RCKMGOQSRPARKO-HKUYNNGSSA-N 2 0 316.489 3.782 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c2ccccc12 ZINC000506878474 340203016 /nfs/dbraw/zinc/20/30/16/340203016.db2.gz ZLDVVNRHGAYHDM-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP CC(C)CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000506942817 340204036 /nfs/dbraw/zinc/20/40/36/340204036.db2.gz LDKGAUVQOIVVBC-UHFFFAOYSA-N 2 0 318.505 3.885 20 0 DHADRP COCc1ccccc1/C=C(\C)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000507370878 340218267 /nfs/dbraw/zinc/21/82/67/340218267.db2.gz XNVWVPPNUZJEFY-XCMFGDQWSA-N 2 0 316.489 3.510 20 0 DHADRP COc1cc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)ccc1SC ZINC000507421663 340218990 /nfs/dbraw/zinc/21/89/90/340218990.db2.gz OJNTXAKABJMXEQ-AWEZNQCLSA-N 2 0 322.518 3.800 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507428451 340219332 /nfs/dbraw/zinc/21/93/32/340219332.db2.gz KNBSNNVBYWKCQY-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C2CC2)cc1 ZINC000507447302 340220116 /nfs/dbraw/zinc/22/01/16/340220116.db2.gz WEJARHBSQPPAMI-IBGZPJMESA-N 2 0 300.490 3.638 20 0 DHADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000507452726 340220264 /nfs/dbraw/zinc/22/02/64/340220264.db2.gz XZFPWPIDSKWWIH-RTBURBONSA-N 2 0 300.490 3.953 20 0 DHADRP CC(C)CC1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000507482826 340222098 /nfs/dbraw/zinc/22/20/98/340222098.db2.gz FVCWHEDZKRLLJB-UHFFFAOYSA-N 2 0 306.416 3.819 20 0 DHADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000507802431 340232090 /nfs/dbraw/zinc/23/20/90/340232090.db2.gz HDAPAQAZQVATSU-XUVXKRRUSA-N 2 0 322.537 3.780 20 0 DHADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000507802430 340232122 /nfs/dbraw/zinc/23/21/22/340232122.db2.gz HDAPAQAZQVATSU-VAMGGRTRSA-N 2 0 322.537 3.780 20 0 DHADRP C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509369026 340267512 /nfs/dbraw/zinc/26/75/12/340267512.db2.gz ACSACNSRNMYJGB-YTQUADARSA-N 2 0 304.453 3.721 20 0 DHADRP C[C@H](F)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509369022 340267545 /nfs/dbraw/zinc/26/75/45/340267545.db2.gz ACSACNSRNMYJGB-UHOSZYNNSA-N 2 0 304.453 3.721 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]CCC[NH+]1CCCCC1 ZINC000509684576 340276863 /nfs/dbraw/zinc/27/68/63/340276863.db2.gz LUWKNDSAXDTXRC-OBGWFSINSA-N 2 0 316.489 3.702 20 0 DHADRP Cc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000302972130 340291421 /nfs/dbraw/zinc/29/14/21/340291421.db2.gz BKRYNCFCPVXBBB-LJQANCHMSA-N 2 0 300.490 3.939 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510707790 340307512 /nfs/dbraw/zinc/30/75/12/340307512.db2.gz YGTWKPOSJVYJMK-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510736647 340308834 /nfs/dbraw/zinc/30/88/34/340308834.db2.gz RBFVJEGLIDZHPZ-OAHLLOKOSA-N 2 0 324.459 3.996 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000303613434 340337897 /nfs/dbraw/zinc/33/78/97/340337897.db2.gz OUHQDICBFLFADF-AZUAARDMSA-N 2 0 300.490 3.816 20 0 DHADRP CSCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512632173 340370065 /nfs/dbraw/zinc/37/00/65/340370065.db2.gz XSIBSNZBYQHDDP-GUDVDZBRSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CCO)CCCC3)CC2)C1 ZINC000512964857 340385931 /nfs/dbraw/zinc/38/59/31/340385931.db2.gz WCSNMBWAOLLFBE-MJGOQNOKSA-N 2 0 322.537 3.562 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2c[nH]c3cc(F)ccc23)CC1 ZINC000513066465 340391716 /nfs/dbraw/zinc/39/17/16/340391716.db2.gz ZRCKDSFPLXVWIA-UHFFFAOYSA-N 2 0 317.452 3.702 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1CC(C)C ZINC000530207092 340782557 /nfs/dbraw/zinc/78/25/57/340782557.db2.gz DCNCYNZSLODGPN-OAHLLOKOSA-N 2 0 311.473 3.898 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000530287244 340786434 /nfs/dbraw/zinc/78/64/34/340786434.db2.gz LAEYYTUCLJKKBZ-XLIONFOSSA-N 2 0 316.464 3.926 20 0 DHADRP COc1ccc([C@H](C)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000540505300 340934225 /nfs/dbraw/zinc/93/42/25/340934225.db2.gz RLUGZUSMUYMGOS-QGZVFWFLSA-N 2 0 318.505 3.853 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130258999 341010494 /nfs/dbraw/zinc/01/04/94/341010494.db2.gz MKZQDVMTZNZGBD-JYVUQVBGSA-N 2 0 306.416 3.818 20 0 DHADRP C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529037 341012312 /nfs/dbraw/zinc/01/23/12/341012312.db2.gz KUDHFVVVKKGTLT-MLYOOKFZSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]CCc2cn3ccccc3n2)C2CC2)cc1 ZINC000130709540 341039858 /nfs/dbraw/zinc/03/98/58/341039858.db2.gz QOLKNKVWDOLKMK-FQEVSTJZSA-N 2 0 319.452 3.796 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000543446150 341045023 /nfs/dbraw/zinc/04/50/23/341045023.db2.gz CNPCMDBASPWAFJ-UYAOXDASSA-N 2 0 302.506 3.823 20 0 DHADRP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000543445895 341045032 /nfs/dbraw/zinc/04/50/32/341045032.db2.gz JQEMZOJFXSZNET-GOSISDBHSA-N 2 0 302.506 3.917 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccc(F)cc2F)C[C@@H]1C ZINC000543632144 341052158 /nfs/dbraw/zinc/05/21/58/341052158.db2.gz UIHQPZXZNHFTMB-DEUPEYTOSA-N 2 0 308.416 3.783 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCCCC1 ZINC000544379545 341079214 /nfs/dbraw/zinc/07/92/14/341079214.db2.gz PCERJTWOYAJROS-KSZLIROESA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000131387890 341083741 /nfs/dbraw/zinc/08/37/41/341083741.db2.gz AOVRRQIVHNOOPK-INIZCTEOSA-N 2 0 300.446 3.905 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)CC[N@@H+]1C ZINC000131761951 341111168 /nfs/dbraw/zinc/11/11/68/341111168.db2.gz WBUAFJPWEYGIFA-HUUCEWRRSA-N 2 0 322.443 3.849 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000546226934 341158014 /nfs/dbraw/zinc/15/80/14/341158014.db2.gz KCXQJEQZHAWRPM-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000133434229 341175085 /nfs/dbraw/zinc/17/50/85/341175085.db2.gz IRUMKLVLZIZZNA-UZLBHIALSA-N 2 0 316.489 3.828 20 0 DHADRP Cc1cc(C)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000237667166 341217803 /nfs/dbraw/zinc/21/78/03/341217803.db2.gz XHTPVVLWPCXKFO-KDURUIRLSA-N 2 0 318.505 3.591 20 0 DHADRP Cc1cc(C)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000237667585 341218031 /nfs/dbraw/zinc/21/80/31/341218031.db2.gz SINXHPNHWAQJLZ-OALUTQOASA-N 2 0 318.505 3.591 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000564324446 341222042 /nfs/dbraw/zinc/22/20/42/341222042.db2.gz GODUKSAASBEUMQ-FUHWJXTLSA-N 2 0 304.503 3.715 20 0 DHADRP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000548154155 341249809 /nfs/dbraw/zinc/24/98/09/341249809.db2.gz KDULSZDYQQSLJY-QXAKKESOSA-N 2 0 318.505 3.548 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000079461126 341259422 /nfs/dbraw/zinc/25/94/22/341259422.db2.gz PUJZAKPODMVTLR-APWZRJJASA-N 2 0 304.478 3.636 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000245472137 341296065 /nfs/dbraw/zinc/29/60/65/341296065.db2.gz YRISNCCGMNYNAD-ZWKOTPCHSA-N 2 0 324.896 3.618 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000261543601 341296539 /nfs/dbraw/zinc/29/65/39/341296539.db2.gz DBRWLBZUTRKYRE-PZJWPPBQSA-N 2 0 324.468 3.525 20 0 DHADRP C[C@H]1CC(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000549612053 341299045 /nfs/dbraw/zinc/29/90/45/341299045.db2.gz UTLYPLOYCDYLEK-IRXDYDNUSA-N 2 0 322.537 3.967 20 0 DHADRP Fc1cccc(CCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000245532927 341300096 /nfs/dbraw/zinc/30/00/96/341300096.db2.gz UWALSURIUPZUBF-PXNSSMCTSA-N 2 0 316.464 3.707 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261548515 341303054 /nfs/dbraw/zinc/30/30/54/341303054.db2.gz JKPMRYZNJHNUGM-HXUWFJFHSA-N 2 0 324.468 3.743 20 0 DHADRP COc1cccc(Cl)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000549869197 341305573 /nfs/dbraw/zinc/30/55/73/341305573.db2.gz DLOVWEAZHNSIHR-UHFFFAOYSA-N 2 0 310.869 3.704 20 0 DHADRP CC1(C)Cc2cccc(C[NH2+]CCCCC[NH+]3CCCC3)c2O1 ZINC000550265619 341313896 /nfs/dbraw/zinc/31/38/96/341313896.db2.gz UFRCUBNTQUPKEA-UHFFFAOYSA-N 2 0 316.489 3.756 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000245970414 341320615 /nfs/dbraw/zinc/32/06/15/341320615.db2.gz FJCUZRPAKNKGKA-PKOBYXMFSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000245970412 341320642 /nfs/dbraw/zinc/32/06/42/341320642.db2.gz FJCUZRPAKNKGKA-IEBWSBKVSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CCO1 ZINC000550789211 341323017 /nfs/dbraw/zinc/32/30/17/341323017.db2.gz VUUFLTSSQVUEPH-HNBVOPMISA-N 2 0 316.489 3.617 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c(F)c1 ZINC000550882187 341325220 /nfs/dbraw/zinc/32/52/20/341325220.db2.gz JVSNVNWKOKNZIC-OAHLLOKOSA-N 2 0 308.441 3.751 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000551529138 341343974 /nfs/dbraw/zinc/34/39/74/341343974.db2.gz CBNMVLFCIAVSCV-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000551787513 341351413 /nfs/dbraw/zinc/35/14/13/341351413.db2.gz HWEUYUHQXGJTNY-WBVHZDCISA-N 2 0 302.462 3.753 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCC1(C)C ZINC000551789737 341351632 /nfs/dbraw/zinc/35/16/32/341351632.db2.gz SFFRXNYYDXKQPR-JFIYKMOQSA-N 2 0 300.490 3.921 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000551815622 341352859 /nfs/dbraw/zinc/35/28/59/341352859.db2.gz CMZDPWLYTVAIMR-HXUWFJFHSA-N 2 0 316.489 3.684 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc2c1 ZINC000246864528 341357891 /nfs/dbraw/zinc/35/78/91/341357891.db2.gz SNNBDPBSWPCSTA-TZIWHRDSSA-N 2 0 324.468 3.765 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000246902767 341358479 /nfs/dbraw/zinc/35/84/79/341358479.db2.gz FHHIFRFWSMETFC-FZCLSBEQSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247264733 341362818 /nfs/dbraw/zinc/36/28/18/341362818.db2.gz XTPGHNOZUUZYLP-LPHOPBHVSA-N 2 0 302.437 3.583 20 0 DHADRP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552040471 341364014 /nfs/dbraw/zinc/36/40/14/341364014.db2.gz PAGDKMBYFYJBFH-VAMGGRTRSA-N 2 0 316.489 3.576 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)C/C(C)=C/c1ccccc1COC ZINC000552042514 341364343 /nfs/dbraw/zinc/36/43/43/341364343.db2.gz KSOUPRPPVNQADD-SAPNQHFASA-N 2 0 304.478 3.510 20 0 DHADRP COCc1ccccc1/C=C(/C)C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000552043887 341364468 /nfs/dbraw/zinc/36/44/68/341364468.db2.gz FMSJMAIHIDVTPJ-BGHSRAONSA-N 2 0 316.489 3.508 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000247881020 341370930 /nfs/dbraw/zinc/37/09/30/341370930.db2.gz BQOPWQRWQUTKCO-BJLQDIEVSA-N 2 0 318.505 3.783 20 0 DHADRP CC(C)COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247948641 341371393 /nfs/dbraw/zinc/37/13/93/341371393.db2.gz DUJJDLHCHOLDEK-ABSDTBQOSA-N 2 0 318.505 3.582 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000248041172 341372621 /nfs/dbraw/zinc/37/26/21/341372621.db2.gz SVWRTCNBGHSKOL-FCEWJHQRSA-N 2 0 322.468 3.613 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000552250172 341381235 /nfs/dbraw/zinc/38/12/35/341381235.db2.gz XATXLHZPDBGWIR-OAHLLOKOSA-N 2 0 324.459 3.998 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552283407 341384058 /nfs/dbraw/zinc/38/40/58/341384058.db2.gz BUEYQFRFGIRWEQ-LMCOJAPRSA-N 2 0 300.490 3.921 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000249140990 341394525 /nfs/dbraw/zinc/39/45/25/341394525.db2.gz QDYNADIJCRNXBC-XOUADPBQSA-N 2 0 314.395 3.651 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000249145983 341394609 /nfs/dbraw/zinc/39/46/09/341394609.db2.gz WVYNWQJSJBCMJV-PMACEKPBSA-N 2 0 312.501 3.863 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249173737 341394933 /nfs/dbraw/zinc/39/49/33/341394933.db2.gz DBMPGDSBYNQFKZ-ZJXIFLPPSA-N 2 0 300.490 3.716 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nc(C)ccc3c2)[C@@H](C)C1 ZINC000249498901 341398369 /nfs/dbraw/zinc/39/83/69/341398369.db2.gz HBNOOQILGBGXDQ-MGPUTAFESA-N 2 0 311.473 3.705 20 0 DHADRP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566242438 341551729 /nfs/dbraw/zinc/55/17/29/341551729.db2.gz SAHFDUUGLLAUOS-DOMZBBRYSA-N 2 0 310.844 3.862 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000272525237 341628837 /nfs/dbraw/zinc/62/88/37/341628837.db2.gz JFQKOSQREXLGLP-UHFFFAOYSA-N 2 0 317.864 3.710 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000166048738 341715567 /nfs/dbraw/zinc/71/55/67/341715567.db2.gz IVQSVGLRDRXRSM-QWHCGFSZSA-N 2 0 318.914 3.799 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000573622197 341733849 /nfs/dbraw/zinc/73/38/49/341733849.db2.gz AQBUTGKTTVXBLP-QGZVFWFLSA-N 2 0 320.502 3.554 20 0 DHADRP COCCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423100369 518053903 /nfs/dbraw/zinc/05/39/03/518053903.db2.gz GUJGYMNSCAXMEC-JFIYKMOQSA-N 2 0 324.896 3.567 20 0 DHADRP CC(C)CCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000339410343 519637796 /nfs/dbraw/zinc/63/77/96/519637796.db2.gz RBYKKAMELDJGHZ-OAHLLOKOSA-N 2 0 307.507 3.523 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000181920499 519733505 /nfs/dbraw/zinc/73/35/05/519733505.db2.gz UHSDWHJQFBIQKY-ZDUSSCGKSA-N 2 0 317.477 3.605 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000181906713 520637864 /nfs/dbraw/zinc/63/78/64/520637864.db2.gz WXGNBRNYISZEKR-JKSUJKDBSA-N 2 0 319.493 3.806 20 0 DHADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000154535207 521214568 /nfs/dbraw/zinc/21/45/68/521214568.db2.gz GIPYNSLRNPACGI-YJBOKZPZSA-N 2 0 317.477 3.517 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000156852997 521708078 /nfs/dbraw/zinc/70/80/78/521708078.db2.gz SVWRTCNBGHSKOL-GJYPPUQNSA-N 2 0 322.468 3.613 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293244 522618765 /nfs/dbraw/zinc/61/87/65/522618765.db2.gz ZDAHZBGNAUKGEW-BBRMVZONSA-N 2 0 312.404 3.671 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000225267042 524052954 /nfs/dbraw/zinc/05/29/54/524052954.db2.gz LHULDOPZFMPFLN-UHFFFAOYSA-N 2 0 319.674 3.534 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cccn3C)cc2)C1 ZINC000265652781 524095364 /nfs/dbraw/zinc/09/53/64/524095364.db2.gz OAXHFGMZPJEIDM-KRWDZBQOSA-N 2 0 311.473 3.547 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337340779 524108534 /nfs/dbraw/zinc/10/85/34/524108534.db2.gz PSJSPMZXRNUXAV-QWFCFKBJSA-N 2 0 315.505 3.962 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cccn3C)cc2)C1 ZINC000265652783 524231999 /nfs/dbraw/zinc/23/19/99/524231999.db2.gz OAXHFGMZPJEIDM-QGZVFWFLSA-N 2 0 311.473 3.547 20 0 DHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C3CCC3)cc2)CCCO1 ZINC000339375978 524592561 /nfs/dbraw/zinc/59/25/61/524592561.db2.gz OTOKJZBQWUWKTD-KRWDZBQOSA-N 2 0 316.489 3.545 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000156035061 525436624 /nfs/dbraw/zinc/43/66/24/525436624.db2.gz YQSODXDOWDEFAO-YLJYHZDGSA-N 2 0 308.469 3.891 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101857 525459116 /nfs/dbraw/zinc/45/91/16/525459116.db2.gz OVQZWVFQBYZINQ-DOTOQJQBSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000157658808 525462033 /nfs/dbraw/zinc/46/20/33/525462033.db2.gz HYXZLKVTDGQVGN-ABSDTBQOSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131738416 525524174 /nfs/dbraw/zinc/52/41/74/525524174.db2.gz UCGFSDYSRRQZPZ-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP CS[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180164141 525885657 /nfs/dbraw/zinc/88/56/57/525885657.db2.gz SLILWPAHBWRURR-CCNLRDMRSA-N 2 0 304.503 3.523 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)CCC2 ZINC000158194289 527112099 /nfs/dbraw/zinc/11/20/99/527112099.db2.gz QRFMWCUWDZTKKF-MRXNPFEDSA-N 2 0 321.534 3.931 20 0 DHADRP [NH3+]CCCCCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000238007935 527174272 /nfs/dbraw/zinc/17/42/72/527174272.db2.gz VUNJPXASMMEEKD-UHFFFAOYSA-N 2 0 317.477 3.520 20 0 DHADRP C[N@H+]1C[C@H]2CN(Cc3ccc(F)c(-c4cccs4)c3)C[C@H]2C1 ZINC000425985221 1013046575 /nfs/dbraw/zinc/04/65/75/1013046575.db2.gz OZGUIEVXAYPASR-GASCZTMLSA-N 2 0 316.445 3.548 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631109178 1013047326 /nfs/dbraw/zinc/04/73/26/1013047326.db2.gz NAJVAHAPKKWPMH-UHFFFAOYSA-N 2 0 314.395 3.613 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2ccccc2O)cc1 ZINC000154962608 1013115329 /nfs/dbraw/zinc/11/53/29/1013115329.db2.gz RYORWCMVDQCUPH-OAHLLOKOSA-N 2 0 321.424 3.780 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000518164277 1013139677 /nfs/dbraw/zinc/13/96/77/1013139677.db2.gz IBHHVWGTYYTXPF-ZDUSSCGKSA-N 2 0 302.384 3.616 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000561778987 1032070744 /nfs/dbraw/zinc/07/07/44/1032070744.db2.gz LOIUVDOMWHFRPB-ZWOKBUDYSA-N 2 0 318.505 3.558 20 0 DHADRP CN(CCC[NH+]1CCCCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001209453037 1013296675 /nfs/dbraw/zinc/29/66/75/1013296675.db2.gz DKJRZYHIQFLLLO-UHFFFAOYSA-N 2 0 321.553 3.591 20 0 DHADRP C[C@@H](NCc1nccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894434946 1013360488 /nfs/dbraw/zinc/36/04/88/1013360488.db2.gz XGMBUTRRIDXJPE-SJLPKXTDSA-N 2 0 323.484 3.977 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000315364921 1013410351 /nfs/dbraw/zinc/41/03/51/1013410351.db2.gz CCHOIHYEAQEWBT-QWHCGFSZSA-N 2 0 312.404 3.669 20 0 DHADRP FC(F)(F)c1nc(C[NH2+]CCCCC[NH+]2CCCC2)cs1 ZINC000894625181 1013437780 /nfs/dbraw/zinc/43/77/80/1013437780.db2.gz CFPMUBRYLJIWGU-UHFFFAOYSA-N 2 0 321.412 3.518 20 0 DHADRP c1cnc2c(c1)cccc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167978125 1013457063 /nfs/dbraw/zinc/45/70/63/1013457063.db2.gz JTFYBKURZOCPBI-IHWFROFDSA-N 2 0 321.468 3.730 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000237105190 1013475218 /nfs/dbraw/zinc/47/52/18/1013475218.db2.gz NUIWDNVLIFHYAS-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC1(F)F ZINC001167985121 1013519960 /nfs/dbraw/zinc/51/99/60/1013519960.db2.gz VUNSKIHOKRWADY-JTUUTPGSSA-N 2 0 312.448 3.759 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000121304222 1013522529 /nfs/dbraw/zinc/52/25/29/1013522529.db2.gz LOMAWJGRIFFCMQ-HOTGVXAUSA-N 2 0 304.478 3.855 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000133189044 1013552796 /nfs/dbraw/zinc/55/27/96/1013552796.db2.gz LJDBPXQIOIVFJT-UHFFFAOYSA-N 2 0 306.837 3.908 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000894861300 1013556949 /nfs/dbraw/zinc/55/69/49/1013556949.db2.gz RNEHHICFVWHVIY-HLIUYOAVSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000655704139 1013651703 /nfs/dbraw/zinc/65/17/03/1013651703.db2.gz QNBHFTFCNWZURZ-ZBFHGGJFSA-N 2 0 324.559 3.834 20 0 DHADRP CCCc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000655703587 1013654639 /nfs/dbraw/zinc/65/46/39/1013654639.db2.gz IRAQDGVYPGUOFE-OXJNMPFZSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000121592307 1013722804 /nfs/dbraw/zinc/72/28/04/1013722804.db2.gz COLHLSLVUFHQCH-QFBILLFUSA-N 2 0 324.468 3.618 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000655806013 1013728426 /nfs/dbraw/zinc/72/84/26/1013728426.db2.gz WWYAGITZMCIKKL-RIEGTJTDSA-N 2 0 313.272 3.911 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803680 1013726805 /nfs/dbraw/zinc/72/68/05/1013726805.db2.gz BOUXTIXGYMLVSY-NFAWXSAZSA-N 2 0 314.395 3.566 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805651 1013727760 /nfs/dbraw/zinc/72/77/60/1013727760.db2.gz JTWXPAZDLDTAQG-BNOWGMLFSA-N 2 0 309.523 3.740 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)s1 ZINC000655807512 1013729661 /nfs/dbraw/zinc/72/96/61/1013729661.db2.gz NQQVGMWIOCCJLN-GARJFASQSA-N 2 0 317.296 3.501 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000121624044 1013735860 /nfs/dbraw/zinc/73/58/60/1013735860.db2.gz JZMCXPYTNDPIAB-APWZRJJASA-N 2 0 324.468 3.618 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000655826082 1013745975 /nfs/dbraw/zinc/74/59/75/1013745975.db2.gz FMQAOSCBDWOYSO-GASCZTMLSA-N 2 0 318.461 3.984 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169486 1013798558 /nfs/dbraw/zinc/79/85/58/1013798558.db2.gz SRYJGDFPHYYEIJ-QWHCGFSZSA-N 2 0 300.368 3.827 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000340447329 1013805250 /nfs/dbraw/zinc/80/52/50/1013805250.db2.gz UCYZAWLBUHGSQJ-KBPBESRZSA-N 2 0 322.412 3.693 20 0 DHADRP c1cc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccn1 ZINC001167996009 1013808100 /nfs/dbraw/zinc/80/81/00/1013808100.db2.gz VCSUQRVFOGPUNA-JIRNRHONSA-N 2 0 311.473 3.624 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340464656 1013826794 /nfs/dbraw/zinc/82/67/94/1013826794.db2.gz RQQZDGQDMIAVEJ-MAUKXSAKSA-N 2 0 304.478 3.870 20 0 DHADRP COc1ccc(C(C)C)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000655938854 1013837852 /nfs/dbraw/zinc/83/78/52/1013837852.db2.gz GFOLKZGIGFTLSP-SFHVURJKSA-N 2 0 316.489 3.640 20 0 DHADRP Fc1cncc([C@@H]([NH2+]CCCCC[NH+]2CCCC2)C2CC2)c1 ZINC000340477980 1013859761 /nfs/dbraw/zinc/85/97/61/1013859761.db2.gz PAODZKPUGIVVOR-SFHVURJKSA-N 2 0 305.441 3.528 20 0 DHADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000189053820 1013906129 /nfs/dbraw/zinc/90/61/29/1013906129.db2.gz KTPIIKAYINRUGE-PZJWPPBQSA-N 2 0 312.501 3.862 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000683822396 1014043281 /nfs/dbraw/zinc/04/32/81/1014043281.db2.gz PYCBJBHNGJNPLF-VHSXEESVSA-N 2 0 321.412 3.543 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C1CC[NH+](C)CC1 ZINC000683822397 1014043747 /nfs/dbraw/zinc/04/37/47/1014043747.db2.gz PYCBJBHNGJNPLF-ZJUUUORDSA-N 2 0 321.412 3.543 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000089597398 1014166481 /nfs/dbraw/zinc/16/64/81/1014166481.db2.gz JQPWXIDEXUFWBN-MRXNPFEDSA-N 2 0 304.478 3.509 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-c3ccccc3)o2)C1 ZINC000580498999 1014176634 /nfs/dbraw/zinc/17/66/34/1014176634.db2.gz JDFJRNQVUNDBND-IEBWSBKVSA-N 2 0 310.441 3.863 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC(OC(C)C)C1 ZINC000189513483 1014192794 /nfs/dbraw/zinc/19/27/94/1014192794.db2.gz TYEWNTYDIOXDKJ-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP CC(C)OC1CC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000189526292 1014194103 /nfs/dbraw/zinc/19/41/03/1014194103.db2.gz QXHLYSIAIDQQAA-UHFFFAOYSA-N 2 0 304.478 3.572 20 0 DHADRP Cc1ccsc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350268145 1014200939 /nfs/dbraw/zinc/20/09/39/1014200939.db2.gz PMEWHLFQMYCUDX-UHFFFAOYSA-N 2 0 315.486 3.800 20 0 DHADRP Clc1ccccc1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972718 1014252794 /nfs/dbraw/zinc/25/27/94/1014252794.db2.gz RKOMFNLEXSNYKX-UHFFFAOYSA-N 2 0 322.880 3.527 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000047977876 1014265137 /nfs/dbraw/zinc/26/51/37/1014265137.db2.gz SNOCREZTHWZCOH-UHFFFAOYSA-N 2 0 306.519 3.962 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000656268411 1014275146 /nfs/dbraw/zinc/27/51/46/1014275146.db2.gz CLUJHIHWQWLLFY-IOASZLSFSA-N 2 0 314.395 3.739 20 0 DHADRP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429367 1014281355 /nfs/dbraw/zinc/28/13/55/1014281355.db2.gz ISPCXEMLFRJKFS-QUCCMNQESA-N 2 0 312.501 3.914 20 0 DHADRP Cc1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc(C)c1F ZINC001143382304 1014424256 /nfs/dbraw/zinc/42/42/56/1014424256.db2.gz YYRULZXZAAFXOH-UHFFFAOYSA-N 2 0 318.480 3.996 20 0 DHADRP [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CCC(F)(F)CC2)CC1 ZINC000895111499 1014440373 /nfs/dbraw/zinc/44/03/73/1014440373.db2.gz GTZVEECOIPELPC-HDJSIYSDSA-N 2 0 309.404 3.736 20 0 DHADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665235743 1014507632 /nfs/dbraw/zinc/50/76/32/1014507632.db2.gz ZEJFJATUAIXEGC-ZIAGYGMSSA-N 2 0 315.436 3.578 20 0 DHADRP CC1(C)CC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000665246034 1014533978 /nfs/dbraw/zinc/53/39/78/1014533978.db2.gz XISCBQXRGLAHGE-KZNAEPCWSA-N 2 0 322.537 3.586 20 0 DHADRP CC(C)(C)c1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089722851 1014589978 /nfs/dbraw/zinc/58/99/78/1014589978.db2.gz UNPRZRMUAIBJMZ-ZWKOTPCHSA-N 2 0 316.489 3.579 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000262036549 1014600843 /nfs/dbraw/zinc/60/08/43/1014600843.db2.gz ZSXYMSWZCSGESE-CYBMUJFWSA-N 2 0 319.836 3.556 20 0 DHADRP FC1(F)CC12CCC([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC2 ZINC000665274731 1014638059 /nfs/dbraw/zinc/63/80/59/1014638059.db2.gz XFULFSMLLUZTLJ-RZFLTCLSSA-N 2 0 312.448 3.855 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000521115923 1014648190 /nfs/dbraw/zinc/64/81/90/1014648190.db2.gz BBTJDMSHMCQMPX-GOSISDBHSA-N 2 0 304.478 3.556 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000166048380 1014648835 /nfs/dbraw/zinc/64/88/35/1014648835.db2.gz IVQSVGLRDRXRSM-OLZOCXBDSA-N 2 0 318.914 3.799 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000665277691 1014655241 /nfs/dbraw/zinc/65/52/41/1014655241.db2.gz IUSSODQCVRIUST-TVRKMHQQSA-N 2 0 312.482 3.682 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000581269458 1014665345 /nfs/dbraw/zinc/66/53/45/1014665345.db2.gz PSWVOHXQOVIWLS-LJDSDSDDSA-N 2 0 316.464 3.767 20 0 DHADRP C[NH2+]C[C@@H](C)N[C@H](Cc1ccccc1Cl)c1cccs1 ZINC000665298174 1014748511 /nfs/dbraw/zinc/74/85/11/1014748511.db2.gz TUJRVEOPXBHREY-IUODEOHRSA-N 2 0 308.878 3.883 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000442928513 1014773366 /nfs/dbraw/zinc/77/33/66/1014773366.db2.gz POXNJBWAELLYIU-CQSZACIVSA-N 2 0 302.393 3.647 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000191078810 1014841181 /nfs/dbraw/zinc/84/11/81/1014841181.db2.gz JWMPYINOKZBZMB-AWEZNQCLSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2ccccc2n1 ZINC000390303913 1014860641 /nfs/dbraw/zinc/86/06/41/1014860641.db2.gz DLHWJVSJRKSESG-QFBILLFUSA-N 2 0 309.457 3.507 20 0 DHADRP C[NH+]1CCC(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000895188457 1014923657 /nfs/dbraw/zinc/92/36/57/1014923657.db2.gz NMZAAUYMBLDEPW-UHFFFAOYSA-N 2 0 312.379 3.626 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(C)c2C)[C@@H](C)C1 ZINC000631073969 1014990458 /nfs/dbraw/zinc/99/04/58/1014990458.db2.gz RUSZJBCURCGOPV-KSSFIOAISA-N 2 0 324.534 3.592 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000581585366 1015019081 /nfs/dbraw/zinc/01/90/81/1015019081.db2.gz ODXFAWNZXREZMK-UHFFFAOYSA-N 2 0 307.290 3.876 20 0 DHADRP C[C@H]1CC(NC(C)(C)C(C)(C)[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022640 1015023487 /nfs/dbraw/zinc/02/34/87/1015023487.db2.gz AUFCLKHADTVNEE-HOTGVXAUSA-N 2 0 317.521 3.534 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000443617921 1015038759 /nfs/dbraw/zinc/03/87/59/1015038759.db2.gz YKTMTTZZIMEJRI-RDTXWAMCSA-N 2 0 306.881 3.991 20 0 DHADRP C[C@@H]1CC(n2cccc2CC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024299 1015067482 /nfs/dbraw/zinc/06/74/82/1015067482.db2.gz DSYAKXDSISEIPK-IAGOWNOFSA-N 2 0 311.473 3.603 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000191511678 1015088343 /nfs/dbraw/zinc/08/83/43/1015088343.db2.gz SPDREKAEKGFDEJ-SFHVURJKSA-N 2 0 315.436 3.984 20 0 DHADRP Cc1ccc(CCC[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000895683833 1015263267 /nfs/dbraw/zinc/26/32/67/1015263267.db2.gz UIQIERVCIUNUNQ-UHFFFAOYSA-N 2 0 303.494 3.521 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3ccnc3C1)CCC2 ZINC000581726479 1015277641 /nfs/dbraw/zinc/27/76/41/1015277641.db2.gz OUTMAQKUDPVNGT-PBHICJAKSA-N 2 0 313.470 3.587 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474480578 1015391514 /nfs/dbraw/zinc/39/15/14/1015391514.db2.gz DUZVVOWNQLZQPP-JKSUJKDBSA-N 2 0 324.896 3.534 20 0 DHADRP CC[NH+]1CCC(N(C)Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891562415 1015395460 /nfs/dbraw/zinc/39/54/60/1015395460.db2.gz QYAQXAXBRZCCGJ-UHFFFAOYSA-N 2 0 300.368 3.679 20 0 DHADRP Cc1c(Cl)c(CN(C)CC(C)(C)C[NH3+])nc2ccccc12 ZINC000093873841 1015411210 /nfs/dbraw/zinc/41/12/10/1015411210.db2.gz ZZCORDKEIXRYRZ-UHFFFAOYSA-N 2 0 305.853 3.613 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCc2sccc21 ZINC000341539369 1015470416 /nfs/dbraw/zinc/47/04/16/1015470416.db2.gz AJTJUKYHEUQQDE-KRWDZBQOSA-N 2 0 324.453 3.804 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341558373 1015528246 /nfs/dbraw/zinc/52/82/46/1015528246.db2.gz OKVOQRDRIXPVKT-UHFFFAOYSA-N 2 0 306.416 3.677 20 0 DHADRP COC[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168040454 1015540710 /nfs/dbraw/zinc/54/07/10/1015540710.db2.gz MYCJIBDXQBHNBY-HNJRGHQBSA-N 2 0 316.489 3.539 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCSc2c(F)cccc21)C1CC1 ZINC000453403936 1015572948 /nfs/dbraw/zinc/57/29/48/1015572948.db2.gz PABZGKOWLPVSQO-INIZCTEOSA-N 2 0 308.466 3.827 20 0 DHADRP Cc1ccncc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474880763 1015680345 /nfs/dbraw/zinc/68/03/45/1015680345.db2.gz UIIGQOQYEARZOI-UYAOXDASSA-N 2 0 323.484 3.780 20 0 DHADRP CCOC1CC(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926259893 1015689927 /nfs/dbraw/zinc/68/99/27/1015689927.db2.gz OYNNKSOLOSWMGP-MDCZIUGASA-N 2 0 304.478 3.604 20 0 DHADRP Cc1ccc([C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000684557811 1015737134 /nfs/dbraw/zinc/73/71/34/1015737134.db2.gz JDXQZHVATBMXRC-DYESRHJHSA-N 2 0 323.484 3.799 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000684558338 1015738542 /nfs/dbraw/zinc/73/85/42/1015738542.db2.gz GIJONUUGGGZYAE-UCLAIMLFSA-N 2 0 304.453 3.782 20 0 DHADRP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000475046478 1015804200 /nfs/dbraw/zinc/80/42/00/1015804200.db2.gz LUBVXNITMKUWCE-AZUAARDMSA-N 2 0 322.537 3.516 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000535763362 1015813940 /nfs/dbraw/zinc/81/39/40/1015813940.db2.gz FLAHRVWYNKFLNJ-CQSZACIVSA-N 2 0 301.409 3.730 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001168304047 1032130671 /nfs/dbraw/zinc/13/06/71/1032130671.db2.gz MEYOWLDEZCRNPV-LXPRWKDFSA-N 2 0 306.881 3.660 20 0 DHADRP C[NH+](C)[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000277122338 1015898460 /nfs/dbraw/zinc/89/84/60/1015898460.db2.gz HVHUQTFDPQNZQR-AWEZNQCLSA-N 2 0 314.445 3.917 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684614338 1015910882 /nfs/dbraw/zinc/91/08/82/1015910882.db2.gz VHGBHJFTLJQWOU-RTBURBONSA-N 2 0 321.553 3.517 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657283704 1016185490 /nfs/dbraw/zinc/18/54/90/1016185490.db2.gz HDHHBEGCIDYYBN-CQSZACIVSA-N 2 0 305.491 3.896 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657312508 1016300782 /nfs/dbraw/zinc/30/07/82/1016300782.db2.gz KBNGIISWLYRXNX-GASCZTMLSA-N 2 0 317.502 3.754 20 0 DHADRP COCc1csc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000657312546 1016301184 /nfs/dbraw/zinc/30/11/84/1016301184.db2.gz KLZKLMUUOSSQCX-IYBDPMFKSA-N 2 0 324.534 3.742 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000657335014 1016359770 /nfs/dbraw/zinc/35/97/70/1016359770.db2.gz JZFIIMURFQMXOY-UHFFFAOYSA-N 2 0 303.475 3.550 20 0 DHADRP Cc1ccc2cc(C[NH2+]CCCCNc3ccccn3)[nH]c2c1 ZINC000657345738 1016390593 /nfs/dbraw/zinc/39/05/93/1016390593.db2.gz XLEVHFKWKZUKPI-UHFFFAOYSA-N 2 0 308.429 3.853 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657348193 1016396775 /nfs/dbraw/zinc/39/67/75/1016396775.db2.gz NGZDWLZUSMEVNO-AWEZNQCLSA-N 2 0 303.475 3.506 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000657348532 1016404686 /nfs/dbraw/zinc/40/46/86/1016404686.db2.gz YYIHIFARVSEWJZ-QGZVFWFLSA-N 2 0 304.478 3.604 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281324687 1016469414 /nfs/dbraw/zinc/46/94/14/1016469414.db2.gz SSYKREQSUTUNHA-HNAYVOBHSA-N 2 0 319.468 3.774 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152377026 1016573295 /nfs/dbraw/zinc/57/32/95/1016573295.db2.gz HCMBQCIZDYVTGR-DYVFJYSZSA-N 2 0 320.864 3.628 20 0 DHADRP O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000475049717 1016574400 /nfs/dbraw/zinc/57/44/00/1016574400.db2.gz ZFUASGISYZDGPJ-UXHICEINSA-N 2 0 322.537 3.516 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207287045 1016618854 /nfs/dbraw/zinc/61/88/54/1016618854.db2.gz WXAOMHHQJALITH-GOSISDBHSA-N 2 0 304.478 3.810 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347032564 1016701884 /nfs/dbraw/zinc/70/18/84/1016701884.db2.gz ACCBHUVASIEPTG-MRXNPFEDSA-N 2 0 312.457 3.798 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CC[C@H]1[NH3+] ZINC000347053064 1016707768 /nfs/dbraw/zinc/70/77/68/1016707768.db2.gz RYQMODYYROTSQE-BLLLJJGKSA-N 2 0 304.434 3.723 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000582413083 1016719783 /nfs/dbraw/zinc/71/97/83/1016719783.db2.gz XKKXFJKXDNKGQI-AZUAARDMSA-N 2 0 316.489 3.638 20 0 DHADRP CCC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347097328 1016728280 /nfs/dbraw/zinc/72/82/80/1016728280.db2.gz JIZIJUMAXNYWDK-UHFFFAOYSA-N 2 0 318.358 3.809 20 0 DHADRP CCC[N@H+](Cc1cccc(-c2ccccn2)c1)C1CC[NH2+]CC1 ZINC000347166574 1016767480 /nfs/dbraw/zinc/76/74/80/1016767480.db2.gz KBTVKHWXSGEIRA-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000347189121 1016778746 /nfs/dbraw/zinc/77/87/46/1016778746.db2.gz DAERVMNCRGEPKG-OAHLLOKOSA-N 2 0 302.462 3.567 20 0 DHADRP CN(Cc1cnc(-c2ccccc2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347205525 1016784373 /nfs/dbraw/zinc/78/43/73/1016784373.db2.gz LRHRAEQPFWFRLW-XYPWUTKMSA-N 2 0 313.470 3.525 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340240050 1016816755 /nfs/dbraw/zinc/81/67/55/1016816755.db2.gz RDZOSQODUWUTRI-BPIHKTFHSA-N 2 0 316.489 3.585 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000049514869 1016847488 /nfs/dbraw/zinc/84/74/88/1016847488.db2.gz HNLYEQAYYSMPFE-GVZPALNKSA-N 2 0 323.278 3.725 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000671295585 1016870087 /nfs/dbraw/zinc/87/00/87/1016870087.db2.gz DWLFSEBMYRLDIH-WOUAJJJCSA-N 2 0 316.489 3.509 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343267 1016971764 /nfs/dbraw/zinc/97/17/64/1016971764.db2.gz JKWWAYMXXUWMKV-SJLPKXTDSA-N 2 0 304.478 3.855 20 0 DHADRP C[N@@H+]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623344309 1016972133 /nfs/dbraw/zinc/97/21/33/1016972133.db2.gz GEYLLJCWXZJBFK-CQSZACIVSA-N 2 0 300.368 3.668 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344687 1016975537 /nfs/dbraw/zinc/97/55/37/1016975537.db2.gz ZIVHMVPCGLRFJM-AEFFLSMTSA-N 2 0 302.462 3.609 20 0 DHADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356914 1016985077 /nfs/dbraw/zinc/98/50/77/1016985077.db2.gz OKYZEXIUIDCTDV-IAGOWNOFSA-N 2 0 323.550 3.593 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccncc2Cl)C1 ZINC000623358758 1016985159 /nfs/dbraw/zinc/98/51/59/1016985159.db2.gz QTYVRLMAPQGFGL-GASCZTMLSA-N 2 0 309.885 3.583 20 0 DHADRP C[NH+](C)C1CCC([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168306149 1032152846 /nfs/dbraw/zinc/15/28/46/1032152846.db2.gz SYPVZJAKHQSNIS-MXYYQSCMSA-N 3 0 321.553 3.764 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C12CCCCC2 ZINC000623430755 1017042066 /nfs/dbraw/zinc/04/20/66/1017042066.db2.gz CVTLZVHFKRDKIZ-IXDOHACOSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623432480 1017045081 /nfs/dbraw/zinc/04/50/81/1017045081.db2.gz UIEZLFJBSVGWAZ-ZIAGYGMSSA-N 2 0 310.869 3.570 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444554 1017051043 /nfs/dbraw/zinc/05/10/43/1017051043.db2.gz KOCYSOSTJHQNSF-SJLPKXTDSA-N 2 0 315.505 3.810 20 0 DHADRP Cc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000294800878 1032160649 /nfs/dbraw/zinc/16/06/49/1032160649.db2.gz PIJFRQHMFRJEKH-UHFFFAOYSA-N 2 0 309.457 3.666 20 0 DHADRP Cc1ccc(SCCN2CCC([NH2+]C(C)C)CC2)cc1C ZINC000108371780 1032163731 /nfs/dbraw/zinc/16/37/31/1032163731.db2.gz OJDAEWTUHNFCNG-UHFFFAOYSA-N 2 0 306.519 3.858 20 0 DHADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000537618384 1032294111 /nfs/dbraw/zinc/29/41/11/1032294111.db2.gz XKLFQSRMOHKJCR-MRXNPFEDSA-N 2 0 312.457 3.913 20 0 DHADRP Cc1ccc(-n2c(CC[NH3+])cc3ccccc32)c(C[NH+](C)C)c1 ZINC001171304411 1032308490 /nfs/dbraw/zinc/30/84/90/1032308490.db2.gz SDCQTGPSCFDEGQ-UHFFFAOYSA-N 2 0 307.441 3.502 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636083 1032439782 /nfs/dbraw/zinc/43/97/82/1032439782.db2.gz KKLGXOILEVXAKU-CRAIPNDOSA-N 2 0 316.489 3.705 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623504910 1017082792 /nfs/dbraw/zinc/08/27/92/1017082792.db2.gz DZMIPMUAQVKEHX-QGZVFWFLSA-N 2 0 304.478 3.746 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000121656879 1032460699 /nfs/dbraw/zinc/46/06/99/1032460699.db2.gz MMIWFQPZZHBHSU-IBGZPJMESA-N 2 0 303.494 3.880 20 0 DHADRP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066076 1032472098 /nfs/dbraw/zinc/47/20/98/1032472098.db2.gz RHWPGUXHIXEXTH-XLIONFOSSA-N 2 0 314.473 3.534 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1(C)C ZINC000623525332 1017089897 /nfs/dbraw/zinc/08/98/97/1017089897.db2.gz GQAGRSXAZPTMBX-MGPQQGTHSA-N 2 0 306.416 3.818 20 0 DHADRP c1cc2c(c(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)c1)OCC2 ZINC000921502834 1017301469 /nfs/dbraw/zinc/30/14/69/1017301469.db2.gz QVBXQQYLTMBLOQ-UHFFFAOYSA-N 2 0 322.452 3.507 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171353869 1032513635 /nfs/dbraw/zinc/51/36/35/1032513635.db2.gz IURYNWFJYHULAZ-QGZVFWFLSA-N 2 0 322.443 3.534 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)[C@H](C)C1 ZINC001171360329 1032516170 /nfs/dbraw/zinc/51/61/70/1032516170.db2.gz JVCFOLOQYVMWNU-VVFCZOMOSA-N 2 0 322.443 3.531 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122321313 1032534032 /nfs/dbraw/zinc/53/40/32/1032534032.db2.gz YSNDGQHUZZPFKL-IERDGZPVSA-N 2 0 324.468 3.650 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171397033 1032581206 /nfs/dbraw/zinc/58/12/06/1032581206.db2.gz NYZGSMMHPAXPGL-SOLBZPMBSA-N 2 0 318.480 3.641 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3c(F)cccc3C2)c1 ZINC001171398395 1032584694 /nfs/dbraw/zinc/58/46/94/1032584694.db2.gz XRIADOGNBWSDLB-GOSISDBHSA-N 2 0 312.432 3.534 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171400051 1032587356 /nfs/dbraw/zinc/58/73/56/1032587356.db2.gz CBRTXEZZPPJSHX-DOTOQJQBSA-N 2 0 304.453 3.537 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171401271 1032589238 /nfs/dbraw/zinc/58/92/38/1032589238.db2.gz LFODZCVUHOIJMV-NVXWUHKLSA-N 2 0 306.469 3.783 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000424277764 1011970904 /nfs/dbraw/zinc/97/09/04/1011970904.db2.gz AUSUIDCWWOFGKP-UONOGXRCSA-N 2 0 310.869 3.731 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000424311870 1011974139 /nfs/dbraw/zinc/97/41/39/1011974139.db2.gz LFFKYZVCQDDHCS-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000347209845 1017105080 /nfs/dbraw/zinc/10/50/80/1017105080.db2.gz NXHMOFSDCHPLGK-PXNSSMCTSA-N 2 0 324.468 3.825 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)ccc2c1 ZINC000424373873 1012013145 /nfs/dbraw/zinc/01/31/45/1012013145.db2.gz HOWHFGICJVPYEU-INIZCTEOSA-N 2 0 324.468 3.812 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000424366712 1012013256 /nfs/dbraw/zinc/01/32/56/1012013256.db2.gz JHUWYKUGOYVMDB-IZVXFFJCSA-N 2 0 302.462 3.581 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546517 1012089706 /nfs/dbraw/zinc/08/97/06/1012089706.db2.gz PWIUQUVNIQKSTG-CRAIPNDOSA-N 2 0 324.472 3.506 20 0 DHADRP COCCC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1 ZINC000643547275 1012111620 /nfs/dbraw/zinc/11/16/20/1012111620.db2.gz BXSZKSIVKABNNN-QZTJIDSGSA-N 2 0 320.452 3.558 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000666955528 1032611469 /nfs/dbraw/zinc/61/14/69/1032611469.db2.gz WUCTXIGLMHBQPL-IUODEOHRSA-N 2 0 312.379 3.541 20 0 DHADRP Cc1ccoc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000514083879 1012265207 /nfs/dbraw/zinc/26/52/07/1012265207.db2.gz MXIXVOGKSCFGCX-UHFFFAOYSA-N 2 0 312.457 3.932 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000425337978 1012462054 /nfs/dbraw/zinc/46/20/54/1012462054.db2.gz APEIKWPJXHCVOO-BSWVEEBUSA-N 2 0 318.530 3.627 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425363542 1012487881 /nfs/dbraw/zinc/48/78/81/1012487881.db2.gz WPHHJLMEXJYPJQ-XGXHKWSGSA-N 2 0 318.530 3.771 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000186110624 1012526849 /nfs/dbraw/zinc/52/68/49/1012526849.db2.gz YDFVJJPILHKUMV-OAHLLOKOSA-N 2 0 310.507 3.919 20 0 DHADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(C)C ZINC000538394681 1012542823 /nfs/dbraw/zinc/54/28/23/1012542823.db2.gz KDCCUUPGCXIZRT-RBUKOAKNSA-N 2 0 322.537 3.823 20 0 DHADRP Clc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167960345 1012679765 /nfs/dbraw/zinc/67/97/65/1012679765.db2.gz YELDMVZDFQTXRH-AYHJJNSGSA-N 2 0 304.865 3.835 20 0 DHADRP C[N@H+]1CC=C(Nc2ccc3c(c2)C[NH+](Cc2ccccc2)C3)CC1 ZINC001208844184 1012684106 /nfs/dbraw/zinc/68/41/06/1012684106.db2.gz NQPLGRIUUJEPMT-UHFFFAOYSA-N 2 0 319.452 3.834 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000579866059 1012763859 /nfs/dbraw/zinc/76/38/59/1012763859.db2.gz GGHXXHZMRWCZTJ-ULQDDVLXSA-N 2 0 308.416 3.761 20 0 DHADRP [NH3+]Cc1cc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961706 1012800744 /nfs/dbraw/zinc/80/07/44/1012800744.db2.gz NLUCSKCRNNUKHL-JWTNVVGKSA-N 2 0 309.457 3.678 20 0 DHADRP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)c1cnn(C2CCCC2)c1 ZINC000516964538 1012879732 /nfs/dbraw/zinc/87/97/32/1012879732.db2.gz PFVPRENAZUCLNU-KSSFIOAISA-N 2 0 304.482 3.556 20 0 DHADRP C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)c1cnn(C2CCCC2)c1 ZINC000516964537 1012880530 /nfs/dbraw/zinc/88/05/30/1012880530.db2.gz PFVPRENAZUCLNU-KDOFPFPSSA-N 2 0 304.482 3.556 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@@H]2CCC[C@H]21 ZINC000425924445 1012957818 /nfs/dbraw/zinc/95/78/18/1012957818.db2.gz MQUKTYJPDVRHKI-YTQUADARSA-N 2 0 302.437 3.666 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@H]2CCC[C@@H]21 ZINC000425924441 1012958769 /nfs/dbraw/zinc/95/87/69/1012958769.db2.gz MQUKTYJPDVRHKI-NEWSRXKRSA-N 2 0 302.437 3.666 20 0 DHADRP CN(CCC[NH+]1CCCC1)CCc1ccc(Cl)cc1Cl ZINC001209080829 1012977637 /nfs/dbraw/zinc/97/76/37/1012977637.db2.gz GEXAYYRZRDFDDD-UHFFFAOYSA-N 2 0 315.288 3.954 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000180094926 1013032600 /nfs/dbraw/zinc/03/26/00/1013032600.db2.gz RGSPZRWFSWLCCM-VQIMIIECSA-N 2 0 318.530 3.877 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3F)CCC2)CC1(C)C ZINC000623558602 1017109459 /nfs/dbraw/zinc/10/94/59/1017109459.db2.gz CMQYWGNBAZLFCG-OAHLLOKOSA-N 2 0 304.453 3.710 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000178037804 1017151536 /nfs/dbraw/zinc/15/15/36/1017151536.db2.gz AABWRRRDUBBGNA-OAGGEKHMSA-N 2 0 324.896 3.880 20 0 DHADRP Fc1cccc(Cl)c1CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000475350154 1017159753 /nfs/dbraw/zinc/15/97/53/1017159753.db2.gz IVARELLIMPETKX-OAHLLOKOSA-N 2 0 324.871 3.829 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534116 1017212249 /nfs/dbraw/zinc/21/22/49/1017212249.db2.gz DZRZGRYRGRLQET-MJGOQNOKSA-N 2 0 323.484 3.828 20 0 DHADRP C[C@@H](CCc1ccccc1)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475559697 1017429200 /nfs/dbraw/zinc/42/92/00/1017429200.db2.gz FPCSYWUCJDXNSA-KKXNLOMOSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1(F)F ZINC000716731670 1032705101 /nfs/dbraw/zinc/70/51/01/1032705101.db2.gz MFLAZAWFWCLGOY-XLAORIBOSA-N 2 0 320.427 3.674 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)C1 ZINC000623867164 1017556964 /nfs/dbraw/zinc/55/69/64/1017556964.db2.gz SAOVKKFJKURKPX-RYUDHWBXSA-N 2 0 318.358 3.837 20 0 DHADRP C[C@H]1CC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)C1 ZINC000657613516 1017571317 /nfs/dbraw/zinc/57/13/17/1017571317.db2.gz MHTUPSRGKDSOSQ-IAGOWNOFSA-N 2 0 315.505 3.708 20 0 DHADRP Cc1ccc(C)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613358 1017574486 /nfs/dbraw/zinc/57/44/86/1017574486.db2.gz ZPTDBSNUUDYXSP-UHFFFAOYSA-N 2 0 323.484 3.700 20 0 DHADRP Cc1csc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)n1 ZINC000623903359 1017574567 /nfs/dbraw/zinc/57/45/67/1017574567.db2.gz DDJPIAWNLYKIIT-OAHLLOKOSA-N 2 0 309.523 3.860 20 0 DHADRP CC1(C)CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613730 1017582532 /nfs/dbraw/zinc/58/25/32/1017582532.db2.gz PYXGUUPXUXCHSC-IBGZPJMESA-N 2 0 315.505 3.852 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000925157704 1017599762 /nfs/dbraw/zinc/59/97/62/1017599762.db2.gz SZIGJXQCHFXMBJ-INIZCTEOSA-N 2 0 318.505 3.687 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171455056 1032714550 /nfs/dbraw/zinc/71/45/50/1032714550.db2.gz ZEXPWOSYNGJOAU-WMLDXEAASA-N 2 0 324.459 3.922 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000624120541 1017691631 /nfs/dbraw/zinc/69/16/31/1017691631.db2.gz BLAGFXMGZIXHAM-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000624121726 1017695275 /nfs/dbraw/zinc/69/52/75/1017695275.db2.gz BZLXZIKUJLIQHB-MXWWQKGMSA-N 2 0 306.881 3.908 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000624122255 1017696823 /nfs/dbraw/zinc/69/68/23/1017696823.db2.gz NDUCIGVNJSUJLI-WMZOPIPTSA-N 2 0 304.478 3.776 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657667744 1017717851 /nfs/dbraw/zinc/71/78/51/1017717851.db2.gz XYJDEODTKLOWGH-OIISXLGYSA-N 2 0 308.416 3.674 20 0 DHADRP C[N@@H+]1CC[C@H](c2ccc(N3C(C)(C)CC([NH3+])CC3(C)C)cc2)C1 ZINC001167628008 1017734534 /nfs/dbraw/zinc/73/45/34/1017734534.db2.gz NKMCKQJKHIPCEF-INIZCTEOSA-N 2 0 315.505 3.590 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC000090664159 1017787975 /nfs/dbraw/zinc/78/79/75/1017787975.db2.gz VXSAPZQUBDQEFP-MRXNPFEDSA-N 2 0 309.457 3.569 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CC3CC[NH+](C)CC3)oc21 ZINC000181700379 1017789432 /nfs/dbraw/zinc/78/94/32/1017789432.db2.gz OSXPQYMVMMLNIV-CQSZACIVSA-N 2 0 316.445 3.824 20 0 DHADRP Clc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090940946 1017834777 /nfs/dbraw/zinc/83/47/77/1017834777.db2.gz ZBECKDXVPOCZMO-HUUCEWRRSA-N 2 0 304.865 3.588 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccccc2C2CC2)C[C@@H](C)O1 ZINC000674334583 1017954440 /nfs/dbraw/zinc/95/44/40/1017954440.db2.gz YIUGXDXFUFXOLX-IAGOWNOFSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001172872505 1033443757 /nfs/dbraw/zinc/44/37/57/1033443757.db2.gz BTCZWIDTPAUOOA-NSHDSACASA-N 2 0 300.899 3.926 20 0 DHADRP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])on2)cc1 ZINC000404353535 1018004282 /nfs/dbraw/zinc/00/42/82/1018004282.db2.gz KOGZBTDCOVJVPO-HNAYVOBHSA-N 2 0 313.445 3.599 20 0 DHADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658064518 1018014713 /nfs/dbraw/zinc/01/47/13/1018014713.db2.gz OQHOQZYJMHFMCY-QWFCFKBJSA-N 2 0 323.484 3.685 20 0 DHADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067429 1018021572 /nfs/dbraw/zinc/02/15/72/1018021572.db2.gz NZHGGBCVBFIMKR-VQTJNVASSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC1(C)C ZINC000658069255 1018025496 /nfs/dbraw/zinc/02/54/96/1018025496.db2.gz DZIYZMFVFZRKMM-OALUTQOASA-N 2 0 322.537 3.682 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC1(C)C ZINC000658069256 1018025923 /nfs/dbraw/zinc/02/59/23/1018025923.db2.gz DZIYZMFVFZRKMM-RBUKOAKNSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOC(C)(C)C)C1 ZINC000674907628 1018190340 /nfs/dbraw/zinc/19/03/40/1018190340.db2.gz DZPYIGCBUVCTMO-QZTJIDSGSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1 ZINC000194455944 1018192984 /nfs/dbraw/zinc/19/29/84/1018192984.db2.gz XIOKJSALOLKHPX-OAHLLOKOSA-N 2 0 300.421 3.781 20 0 DHADRP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001238784192 1018236969 /nfs/dbraw/zinc/23/69/69/1018236969.db2.gz FIVIDRBYJXFHLR-UHFFFAOYSA-N 2 0 310.844 3.705 20 0 DHADRP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381517217 1018263014 /nfs/dbraw/zinc/26/30/14/1018263014.db2.gz RPCUZFABOUVHES-FQEVSTJZSA-N 2 0 308.469 3.915 20 0 DHADRP CC(C)COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446887548 1018290142 /nfs/dbraw/zinc/29/01/42/1018290142.db2.gz VNAYZRMUHIHPJI-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658219482 1018290406 /nfs/dbraw/zinc/29/04/06/1018290406.db2.gz ITMWDMOPCJCODX-JQHSSLGASA-N 2 0 322.443 3.922 20 0 DHADRP CC(C)SCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000382040891 1018297762 /nfs/dbraw/zinc/29/77/62/1018297762.db2.gz ILQVPGGAIJXXCV-MOPGFXCFSA-N 2 0 318.530 3.582 20 0 DHADRP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000764775407 1018372362 /nfs/dbraw/zinc/37/23/62/1018372362.db2.gz VPAGNYDGVKXHKO-RYRKJORJSA-N 2 0 304.478 3.843 20 0 DHADRP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000764775408 1018374651 /nfs/dbraw/zinc/37/46/51/1018374651.db2.gz VPAGNYDGVKXHKO-SOLBZPMBSA-N 2 0 304.478 3.843 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]CC2(F)CC2)C1 ZINC000525981378 1018425132 /nfs/dbraw/zinc/42/51/32/1018425132.db2.gz RFLXILAVTNCCST-HZPDHXFCSA-N 2 0 304.453 3.756 20 0 DHADRP CC1(C)Cc2occc2[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000447566420 1018426568 /nfs/dbraw/zinc/42/65/68/1018426568.db2.gz SVLDAWAZWIQTLY-QGZVFWFLSA-N 2 0 302.462 3.757 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000383808183 1018438328 /nfs/dbraw/zinc/43/83/28/1018438328.db2.gz PFMKUTNHGMVHNW-VQTJNVASSA-N 2 0 324.468 3.668 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261837856 1018463791 /nfs/dbraw/zinc/46/37/91/1018463791.db2.gz YFGRPEUEKBIQPI-GUYCJALGSA-N 2 0 324.415 3.813 20 0 DHADRP Cc1nccn1CCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000765141107 1018485353 /nfs/dbraw/zinc/48/53/53/1018485353.db2.gz KDVYMHALMACPOJ-GFCCVEGCSA-N 2 0 300.431 3.542 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccccn1 ZINC000635010100 1018511062 /nfs/dbraw/zinc/51/10/62/1018511062.db2.gz YHZZDIMCNBJJEV-AZUAARDMSA-N 2 0 311.473 3.719 20 0 DHADRP COCCC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1 ZINC000635009792 1018512014 /nfs/dbraw/zinc/51/20/14/1018512014.db2.gz HTJSOUFHLUDPEZ-ROUUACIJSA-N 2 0 322.468 3.661 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000527213373 1018529319 /nfs/dbraw/zinc/52/93/19/1018529319.db2.gz XLQBBJNWSMDXSL-LJQANCHMSA-N 2 0 322.537 3.921 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)CCCCOc2ccccc2)CC1 ZINC000527356395 1018560985 /nfs/dbraw/zinc/56/09/85/1018560985.db2.gz LMRHNFXCYCELMU-UHFFFAOYSA-N 2 0 304.478 3.650 20 0 DHADRP CC(C)Cc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650718014 1018562010 /nfs/dbraw/zinc/56/20/10/1018562010.db2.gz UTEUDLSHRJUJAF-UHFFFAOYSA-N 2 0 300.421 3.773 20 0 DHADRP CCCCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650718236 1018562299 /nfs/dbraw/zinc/56/22/99/1018562299.db2.gz DJMMNCAAXOSGGJ-UHFFFAOYSA-N 2 0 316.420 3.753 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CC1CC[NH+](C(C)C)CC1)C2 ZINC001171551099 1032771762 /nfs/dbraw/zinc/77/17/62/1032771762.db2.gz NPQSXUWQJORGBG-LJQANCHMSA-N 2 0 300.490 3.562 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CCc1ccc(C[NH+](C)C)cc1)C2 ZINC001171556383 1032774281 /nfs/dbraw/zinc/77/42/81/1032774281.db2.gz JFMCYUFCFYQLMU-OAQYLSRUSA-N 2 0 322.496 3.746 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc2c1 ZINC000315399599 1032774920 /nfs/dbraw/zinc/77/49/20/1032774920.db2.gz UYBFYPLACAZCFI-HUUCEWRRSA-N 2 0 300.446 3.839 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000675787196 1018591476 /nfs/dbraw/zinc/59/14/76/1018591476.db2.gz ZUCWPLJETGCJGB-WOJBJXKFSA-N 2 0 318.505 3.693 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000675786964 1018592176 /nfs/dbraw/zinc/59/21/76/1018592176.db2.gz NOKFTCPIKCCPND-UYAOXDASSA-N 2 0 300.490 3.923 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1C ZINC000675820453 1018601434 /nfs/dbraw/zinc/60/14/34/1018601434.db2.gz GYQJBDFWKBJKNS-MRXNPFEDSA-N 2 0 313.489 3.913 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000278361111 1018611565 /nfs/dbraw/zinc/61/15/65/1018611565.db2.gz CXGWFPOEKUJDKS-NSHDSACASA-N 2 0 312.379 3.629 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000675928479 1018633498 /nfs/dbraw/zinc/63/34/98/1018633498.db2.gz OQRZVYXWZWISRO-DBXWQHBBSA-N 2 0 323.484 3.828 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000650745304 1018640897 /nfs/dbraw/zinc/64/08/97/1018640897.db2.gz DBFIKKDPXNLZBV-HNNXBMFYSA-N 2 0 312.379 3.875 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000705344991 1018648199 /nfs/dbraw/zinc/64/81/99/1018648199.db2.gz XICGQIRPKYJLCL-UXHICEINSA-N 2 0 300.490 3.923 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000650746719 1018649060 /nfs/dbraw/zinc/64/90/60/1018649060.db2.gz JQXNZAYIVNHCGV-OAHLLOKOSA-N 2 0 323.278 3.545 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000926523622 1018652310 /nfs/dbraw/zinc/65/23/10/1018652310.db2.gz DYZKPPRGFKZLGQ-HKUYNNGSSA-N 2 0 310.526 3.538 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)c(F)c1 ZINC000650752007 1018663787 /nfs/dbraw/zinc/66/37/87/1018663787.db2.gz HDQMQCAXNFCYGI-MRXNPFEDSA-N 2 0 302.418 3.611 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CC2)cc1 ZINC000650753455 1018673862 /nfs/dbraw/zinc/67/38/62/1018673862.db2.gz NMQWMZOKCKVXHS-FQEVSTJZSA-N 2 0 312.432 3.704 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000650757242 1018683045 /nfs/dbraw/zinc/68/30/45/1018683045.db2.gz SDHFEYJNXDCRRH-XLIONFOSSA-N 2 0 323.484 3.925 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CC1CC[NH+](CC(C)C)CC1)C2 ZINC001171558073 1032778580 /nfs/dbraw/zinc/77/85/80/1032778580.db2.gz CKAJUQYWCQWNAO-FQEVSTJZSA-N 2 0 314.517 3.810 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000650758040 1018693459 /nfs/dbraw/zinc/69/34/59/1018693459.db2.gz HKTVTHPVFJFBJR-VLIAUNLRSA-N 2 0 312.432 3.958 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCS2 ZINC000650763647 1018712055 /nfs/dbraw/zinc/71/20/55/1018712055.db2.gz GKDNOXKQSJWMDP-HNNXBMFYSA-N 2 0 310.894 3.856 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000650763903 1018714932 /nfs/dbraw/zinc/71/49/32/1018714932.db2.gz LVVYRJZKLAKOTQ-LBPRGKRZSA-N 2 0 300.368 3.746 20 0 DHADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC001118057589 1018716165 /nfs/dbraw/zinc/71/61/65/1018716165.db2.gz FDBVSXNRWILZKI-CHWSQXEVSA-N 2 0 303.475 3.767 20 0 DHADRP Clc1cnccc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000858148529 1032783273 /nfs/dbraw/zinc/78/32/73/1032783273.db2.gz ANMADGGSOLKWBA-UHFFFAOYSA-N 2 0 307.869 3.622 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2cccc(COc3ccccc3)c2)CC1 ZINC000765256394 1018737319 /nfs/dbraw/zinc/73/73/19/1018737319.db2.gz WMQRNKNOAGNYPO-UHFFFAOYSA-N 2 0 324.468 3.840 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000676489973 1018752994 /nfs/dbraw/zinc/75/29/94/1018752994.db2.gz LKGXBQUUTGLGCV-ZIAGYGMSSA-N 2 0 309.523 3.923 20 0 DHADRP Cc1cccc2[nH]c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cc21 ZINC000825762527 1032782667 /nfs/dbraw/zinc/78/26/67/1032782667.db2.gz NJFHHGYTGVBRBI-UHFFFAOYSA-N 2 0 311.473 3.784 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657813685 1018798500 /nfs/dbraw/zinc/79/85/00/1018798500.db2.gz XQLMKGAXHSCERZ-UPHRSURJSA-N 2 0 302.437 3.551 20 0 DHADRP Fc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000657813297 1018805423 /nfs/dbraw/zinc/80/54/23/1018805423.db2.gz NLYGDBSXZMUMBJ-UHFFFAOYSA-N 2 0 310.844 3.691 20 0 DHADRP Fc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000657812964 1018809263 /nfs/dbraw/zinc/80/92/63/1018809263.db2.gz YALJQRCLLLJJCS-UHFFFAOYSA-N 2 0 310.844 3.691 20 0 DHADRP COc1ccc2c(NCC[NH+]3Cc4ccccc4C3)cc[nH+]c2c1 ZINC000765490751 1018811830 /nfs/dbraw/zinc/81/18/30/1018811830.db2.gz WAAYMMPRLPZHPG-UHFFFAOYSA-N 2 0 319.408 3.671 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000584008126 1018834300 /nfs/dbraw/zinc/83/43/00/1018834300.db2.gz CWNNCDHKNHFLRM-KXBFYZLASA-N 2 0 320.908 3.983 20 0 DHADRP C[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CC(F)F ZINC000647318568 1018836494 /nfs/dbraw/zinc/83/64/94/1018836494.db2.gz SXOBSEDKSQAWPW-ZIAGYGMSSA-N 2 0 314.420 3.569 20 0 DHADRP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c2cc(F)ccc2[nH+]1 ZINC000338740449 1018941543 /nfs/dbraw/zinc/94/15/43/1018941543.db2.gz BBWDYCUXYKZIBU-LJQANCHMSA-N 2 0 313.420 3.604 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168685103 1018970860 /nfs/dbraw/zinc/97/08/60/1018970860.db2.gz NTEGDWUBFBJFEK-CQSZACIVSA-N 2 0 306.881 3.788 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000921543729 1018971543 /nfs/dbraw/zinc/97/15/43/1018971543.db2.gz RAOBCNOFVXEXQL-USYVTKNRSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000921543714 1018973381 /nfs/dbraw/zinc/97/33/81/1018973381.db2.gz RAOBCNOFVXEXQL-LJDSDSDDSA-N 2 0 322.537 3.539 20 0 DHADRP [NH3+]CC[C@H]1CN(c2cccc(C3=[NH+]CCC3)c2)c2ccccc21 ZINC001168548066 1018996332 /nfs/dbraw/zinc/99/63/32/1018996332.db2.gz JVJRVGRADGIOCG-INIZCTEOSA-N 2 0 305.425 3.854 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657833586 1019001887 /nfs/dbraw/zinc/00/18/87/1019001887.db2.gz HHKGQOQUPARDCS-AEFFLSMTSA-N 2 0 312.501 3.570 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000387068665 1019044139 /nfs/dbraw/zinc/04/41/39/1019044139.db2.gz UAVSSGCVELQDSV-KRWDZBQOSA-N 2 0 304.478 3.687 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995787 1032803707 /nfs/dbraw/zinc/80/37/07/1032803707.db2.gz ZXPHXRGXBIXNSN-ZBFHGGJFSA-N 2 0 304.503 3.604 20 0 DHADRP COc1cccc(CCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171618741 1032804549 /nfs/dbraw/zinc/80/45/49/1032804549.db2.gz BDLKCSDOSRIHGI-UHFFFAOYSA-N 2 0 318.505 3.869 20 0 DHADRP C[C@@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc2cnccc2o1 ZINC000657838642 1019070704 /nfs/dbraw/zinc/07/07/04/1019070704.db2.gz DQMJFGDULPTLMH-BZUAXINKSA-N 2 0 315.461 3.846 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(Br)s1 ZINC000387326509 1019081117 /nfs/dbraw/zinc/08/11/17/1019081117.db2.gz NUAODGQQZFRFMC-UHFFFAOYSA-N 2 0 319.312 3.721 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)CC3 ZINC000666995445 1032806765 /nfs/dbraw/zinc/80/67/65/1032806765.db2.gz NYHZRQSSAKQFGV-JKSUJKDBSA-N 2 0 323.484 3.598 20 0 DHADRP Fc1cccc(C2CC([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000658357675 1019092875 /nfs/dbraw/zinc/09/28/75/1019092875.db2.gz VHRGQJRAIASINT-UHFFFAOYSA-N 2 0 316.464 3.783 20 0 DHADRP COCc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171625362 1032807670 /nfs/dbraw/zinc/80/76/70/1032807670.db2.gz ITXXTHSGSPYHBV-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000657840624 1019105626 /nfs/dbraw/zinc/10/56/26/1019105626.db2.gz IGOYZUYHHMZFIY-SFHVURJKSA-N 2 0 306.519 3.904 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000347916585 1019107024 /nfs/dbraw/zinc/10/70/24/1019107024.db2.gz FKPAOGSYBBBVFT-INIZCTEOSA-N 2 0 314.477 3.562 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000635003476 1019121839 /nfs/dbraw/zinc/12/18/39/1019121839.db2.gz KBSDKNOKDNPPFF-YLJYHZDGSA-N 2 0 311.473 3.863 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Br)cc1 ZINC000635004743 1019125036 /nfs/dbraw/zinc/12/50/36/1019125036.db2.gz DVNKLLNHVIVPHR-LALPHHSUSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc2ccncc2s1 ZINC000657844101 1019135655 /nfs/dbraw/zinc/13/56/55/1019135655.db2.gz GJQJDAVJABLJIL-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000656497566 1019204737 /nfs/dbraw/zinc/20/47/37/1019204737.db2.gz JSJNTYZYMKWTHV-HXUWFJFHSA-N 2 0 307.441 3.636 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000671742937 1019281716 /nfs/dbraw/zinc/28/17/16/1019281716.db2.gz ROLKUUKVYGMQOT-FHWLQOOXSA-N 2 0 300.490 3.817 20 0 DHADRP FC(F)(F)Cc1ccccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000624308375 1019290899 /nfs/dbraw/zinc/29/08/99/1019290899.db2.gz KOMGWRVDXUNZES-UHFFFAOYSA-N 2 0 312.379 3.508 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC000153607921 1019318701 /nfs/dbraw/zinc/31/87/01/1019318701.db2.gz UJNNPCSTSJMDIZ-LSDHHAIUSA-N 2 0 308.441 3.605 20 0 DHADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143455148 1019341223 /nfs/dbraw/zinc/34/12/23/1019341223.db2.gz OYHAHQKLLAHCSI-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000194843845 1019351320 /nfs/dbraw/zinc/35/13/20/1019351320.db2.gz BWTJYCKFZPDDAJ-IBGZPJMESA-N 2 0 316.489 3.783 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486950432 1019355030 /nfs/dbraw/zinc/35/50/30/1019355030.db2.gz LRCNYAAJCSPISH-AWEZNQCLSA-N 2 0 307.507 3.622 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090586595 1019411532 /nfs/dbraw/zinc/41/15/32/1019411532.db2.gz SAEQOFGJRPDWLT-QFBILLFUSA-N 2 0 316.489 3.640 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]CC3(C4CC4)CCC3)CC2)cc1 ZINC000090724387 1019414728 /nfs/dbraw/zinc/41/47/28/1019414728.db2.gz PRAHTBLIJMKREL-UHFFFAOYSA-N 2 0 312.501 3.863 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001171682864 1032836117 /nfs/dbraw/zinc/83/61/17/1032836117.db2.gz XNASKCYBIGBCKV-QGZVFWFLSA-N 2 0 300.490 3.875 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2coc3ccccc23)cc1 ZINC000114508981 1019520407 /nfs/dbraw/zinc/52/04/07/1019520407.db2.gz LZJHOQBDRBRKAX-UHFFFAOYSA-N 2 0 324.424 3.663 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000163301708 1019571083 /nfs/dbraw/zinc/57/10/83/1019571083.db2.gz GEAOQMOTPMRRMQ-IUODEOHRSA-N 2 0 310.894 3.808 20 0 DHADRP COCc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000093769280 1019579799 /nfs/dbraw/zinc/57/97/99/1019579799.db2.gz WFFNRGJPERZNBF-UHFFFAOYSA-N 2 0 320.477 3.514 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168705205 1019622589 /nfs/dbraw/zinc/62/25/89/1019622589.db2.gz RVFMIDFQRIYZFZ-INIZCTEOSA-N 2 0 306.881 3.519 20 0 DHADRP c1ccc(SC2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166560538 1019639980 /nfs/dbraw/zinc/63/99/80/1019639980.db2.gz RVDDNQVUVXLEKJ-HZPDHXFCSA-N 2 0 302.487 3.528 20 0 DHADRP C[C@@H]1C[C@@H](n2c(C[NH3+])cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171725875 1032846012 /nfs/dbraw/zinc/84/60/12/1032846012.db2.gz OSMSXRYHRJOSSJ-OXQOHEQNSA-N 2 0 319.452 3.936 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166736115 1019813231 /nfs/dbraw/zinc/81/32/31/1019813231.db2.gz VKKKDNZNCIUUHS-RTBURBONSA-N 2 0 300.490 3.961 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166796661 1019820523 /nfs/dbraw/zinc/82/05/23/1019820523.db2.gz YTQPXEXDKBZMRA-RBUKOAKNSA-N 2 0 300.490 3.743 20 0 DHADRP CCCC[C@@H](CC)CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457472 1019836210 /nfs/dbraw/zinc/83/62/10/1019836210.db2.gz COJJUWHOJUKYLA-UYAOXDASSA-N 2 0 323.569 3.693 20 0 DHADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OCC2CC2)c1 ZINC000166921053 1019839987 /nfs/dbraw/zinc/83/99/87/1019839987.db2.gz TWHLGCIMLNUCGQ-INIZCTEOSA-N 2 0 316.489 3.604 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000168329476 1019888390 /nfs/dbraw/zinc/88/83/90/1019888390.db2.gz QSNFPRCOFKMSND-KRWDZBQOSA-N 2 0 315.505 3.812 20 0 DHADRP CCOC1CCC([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000657900480 1019901115 /nfs/dbraw/zinc/90/11/15/1019901115.db2.gz PZRITESAZCIYGB-KKXNLOMOSA-N 2 0 318.505 3.834 20 0 DHADRP c1nc2c([nH]1)C[C@H]([NH2+]Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000685629453 1019987242 /nfs/dbraw/zinc/98/72/42/1019987242.db2.gz BNJCMTATBAGWTM-MRXNPFEDSA-N 2 0 319.408 3.849 20 0 DHADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1SC ZINC000069220929 1020048118 /nfs/dbraw/zinc/04/81/18/1020048118.db2.gz OTNLQVABTRDGLW-UHFFFAOYSA-N 2 0 322.518 3.581 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c3ccccc23)C1 ZINC000093770717 1020071621 /nfs/dbraw/zinc/07/16/21/1020071621.db2.gz HHOAFCHUNSWRMX-INIZCTEOSA-N 2 0 312.457 3.622 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C(F)F ZINC000657998021 1020078731 /nfs/dbraw/zinc/07/87/31/1020078731.db2.gz IEFZYOFWGUUZAF-GDBMZVCRSA-N 2 0 310.432 3.778 20 0 DHADRP C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1cc2ccncc2s1 ZINC000658000148 1020085879 /nfs/dbraw/zinc/08/58/79/1020085879.db2.gz UOFUQNYDGDZRLY-IUDNXUCKSA-N 2 0 315.486 3.964 20 0 DHADRP CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000658004595 1020087232 /nfs/dbraw/zinc/08/72/32/1020087232.db2.gz VYOBQWDDNKHNBC-AVAKVYKDSA-N 2 0 308.510 3.721 20 0 DHADRP CCc1[nH]nc(Cl)c1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922504548 1020105907 /nfs/dbraw/zinc/10/59/07/1020105907.db2.gz OHOOWPVQQLEBTO-UHFFFAOYSA-N 2 0 324.900 3.512 20 0 DHADRP COc1ccccc1C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000158648297 1020114351 /nfs/dbraw/zinc/11/43/51/1020114351.db2.gz GZVFKNSXNNPJLJ-QFBILLFUSA-N 2 0 318.505 3.582 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677341 1020136403 /nfs/dbraw/zinc/13/64/03/1020136403.db2.gz MLBWRIXLEKJDPE-KRWDZBQOSA-N 2 0 316.489 3.612 20 0 DHADRP C[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165225 1020197857 /nfs/dbraw/zinc/19/78/57/1020197857.db2.gz QGXWFEHCHLQZLL-YLJYHZDGSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@H](C)C1 ZINC000658165792 1020198035 /nfs/dbraw/zinc/19/80/35/1020198035.db2.gz LVBOYFJCYHEJNN-HLIPFELVSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@H](C)C1 ZINC000658165794 1020198816 /nfs/dbraw/zinc/19/88/16/1020198816.db2.gz LVBOYFJCYHEJNN-MBOZVWFJSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658223189 1020231079 /nfs/dbraw/zinc/23/10/79/1020231079.db2.gz IYFOMVKHKBGCJH-KBAYOESNSA-N 2 0 322.443 3.922 20 0 DHADRP Cc1cnc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000922740136 1020241788 /nfs/dbraw/zinc/24/17/88/1020241788.db2.gz CONDNDGWFRAIMZ-ICSRJNTNSA-N 2 0 323.484 3.841 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCS1 ZINC000922838346 1020295244 /nfs/dbraw/zinc/29/52/44/1020295244.db2.gz LMIUBSXREIFPGM-PSBWJHGTSA-N 2 0 318.530 3.913 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CCCC1 ZINC000658313611 1020296162 /nfs/dbraw/zinc/29/61/62/1020296162.db2.gz DWHVGEZATDDGDR-PWIZWCRZSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)(C)c1cnc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922844939 1020306601 /nfs/dbraw/zinc/30/66/01/1020306601.db2.gz JZBMCWKJAULXOE-UHFFFAOYSA-N 2 0 321.534 3.937 20 0 DHADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355002 1020320366 /nfs/dbraw/zinc/32/03/66/1020320366.db2.gz GSBLTXKCCUXGLG-IBGZPJMESA-N 2 0 314.473 3.612 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1F ZINC000658357993 1020323398 /nfs/dbraw/zinc/32/33/98/1020323398.db2.gz XAPBLGMXLJSDBB-CQSZACIVSA-N 2 0 320.452 3.607 20 0 DHADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356835 1020323501 /nfs/dbraw/zinc/32/35/01/1020323501.db2.gz PRWCJFZATQMUOZ-GOSISDBHSA-N 2 0 320.427 3.664 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000132590229 1020380692 /nfs/dbraw/zinc/38/06/92/1020380692.db2.gz MBDQFVYAEWPXBE-NEPJUHHUSA-N 2 0 301.261 3.608 20 0 DHADRP C[C@@H](CC[NH2+][C@@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000193281368 1020392617 /nfs/dbraw/zinc/39/26/17/1020392617.db2.gz XUBKXLACGZKPND-QFBILLFUSA-N 2 0 301.478 3.788 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC000733614183 1020418836 /nfs/dbraw/zinc/41/88/36/1020418836.db2.gz BTIBFMBKHKUFRM-INIZCTEOSA-N 2 0 308.425 3.970 20 0 DHADRP COc1ccc(C2CCC([NH2+]CCCCCC[NH3+])CC2)cc1 ZINC000843126246 1020437242 /nfs/dbraw/zinc/43/72/42/1020437242.db2.gz FMVAWSBEMIVRSX-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@@H](C)c1nc2ccccc2s1 ZINC000151132148 1020473134 /nfs/dbraw/zinc/47/31/34/1020473134.db2.gz XUGKKRMSWJDGLQ-ZIAGYGMSSA-N 2 0 314.458 3.665 20 0 DHADRP CC[NH+](CC)Cc1cc(OC)ccc1NCC(C)(C)C[NH+](C)C ZINC001168768980 1020551392 /nfs/dbraw/zinc/55/13/92/1020551392.db2.gz JASCGYUFPMZSCN-UHFFFAOYSA-N 2 0 321.509 3.537 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422740278 1020592443 /nfs/dbraw/zinc/59/24/43/1020592443.db2.gz NEQKXJBCVKLTJL-ABAIWWIYSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205985630 1020699454 /nfs/dbraw/zinc/69/94/54/1020699454.db2.gz ZCHZEQUQDMPVPJ-CHWSQXEVSA-N 2 0 300.368 3.512 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001171958506 1032926063 /nfs/dbraw/zinc/92/60/63/1032926063.db2.gz ALKAAKRVGUJFOB-DZGCQCFKSA-N 2 0 314.395 3.568 20 0 DHADRP Cc1nocc1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963802 1032933070 /nfs/dbraw/zinc/93/30/70/1032933070.db2.gz JJXZWRDJAJOXOM-SFHVURJKSA-N 2 0 313.445 3.516 20 0 DHADRP CCCSC[C@@H](C)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000892527034 1020833728 /nfs/dbraw/zinc/83/37/28/1020833728.db2.gz GJRAMAHCYUNKMR-OAHLLOKOSA-N 2 0 303.475 3.553 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000414065119 1020834912 /nfs/dbraw/zinc/83/49/12/1020834912.db2.gz FNGFMNJYZHKLPM-DLBZAZTESA-N 2 0 308.510 3.575 20 0 DHADRP COC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001171967434 1032935945 /nfs/dbraw/zinc/93/59/45/1032935945.db2.gz ZXFOESQJOHACBQ-RBUKOAKNSA-N 2 0 318.505 3.690 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)CCC[NH+](C)C ZINC001171967771 1032937049 /nfs/dbraw/zinc/93/70/49/1032937049.db2.gz BIBCDZUFLXBZMB-ZDUSSCGKSA-N 2 0 302.384 3.520 20 0 DHADRP C(=C/C[N@@H+]1CCc2ccccc2C1)\C[NH+]1CCc2ccccc2C1 ZINC000613309234 1020897120 /nfs/dbraw/zinc/89/71/20/1020897120.db2.gz SORJLPGOLPVIBD-AATRIKPKSA-N 2 0 318.464 3.659 20 0 DHADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171966577 1032938827 /nfs/dbraw/zinc/93/88/27/1032938827.db2.gz LSBYGLYDPPAWDS-MOPGFXCFSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000414158534 1020946120 /nfs/dbraw/zinc/94/61/20/1020946120.db2.gz AHFKNWLPJSKGDM-WMLDXEAASA-N 2 0 306.881 3.735 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000414169278 1020958532 /nfs/dbraw/zinc/95/85/32/1020958532.db2.gz BAMSPSQNDFWIEK-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000414173593 1020961729 /nfs/dbraw/zinc/96/17/29/1020961729.db2.gz FWZOBHSYGACZGM-WDEREUQCSA-N 2 0 321.412 3.544 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000414190742 1020980671 /nfs/dbraw/zinc/98/06/71/1020980671.db2.gz SBGSWAWQAKKIQE-XJKSGUPXSA-N 2 0 308.466 3.684 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000613491128 1020997163 /nfs/dbraw/zinc/99/71/63/1020997163.db2.gz GVBRHBDAXOMLHB-UHFFFAOYSA-N 2 0 322.468 3.648 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000414228003 1021015866 /nfs/dbraw/zinc/01/58/66/1021015866.db2.gz DCACWHBZYMMCNZ-GJJHYRHESA-N 2 0 322.537 3.823 20 0 DHADRP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000414231592 1021018443 /nfs/dbraw/zinc/01/84/43/1021018443.db2.gz HJGPSEQCKINLKP-BEFAXECRSA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)c2ccccc12 ZINC000766274771 1021037449 /nfs/dbraw/zinc/03/74/49/1021037449.db2.gz UTGZKPIPFVHLQS-JKSUJKDBSA-N 2 0 312.457 3.983 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000414308958 1021081025 /nfs/dbraw/zinc/08/10/25/1021081025.db2.gz QWZVHUWJSRRCOU-SOLBZPMBSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000414323615 1021096057 /nfs/dbraw/zinc/09/60/57/1021096057.db2.gz APOAKXKLFUFKDK-JKSUJKDBSA-N 2 0 310.526 3.821 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171970361 1032954448 /nfs/dbraw/zinc/95/44/48/1032954448.db2.gz BUHJVXJPNXBWSI-SFHVURJKSA-N 2 0 318.530 3.915 20 0 DHADRP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000537964267 1032954581 /nfs/dbraw/zinc/95/45/81/1032954581.db2.gz KZTMVMMDAMHWEH-RDTXWAMCSA-N 2 0 322.468 3.754 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414341591 1021110723 /nfs/dbraw/zinc/11/07/23/1021110723.db2.gz IAXFCVORCCIREE-GDAAHCPNSA-N 2 0 310.441 3.636 20 0 DHADRP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414347870 1021118412 /nfs/dbraw/zinc/11/84/12/1021118412.db2.gz NWUPPKJAJYYVBO-LJDSDSDDSA-N 2 0 322.452 3.636 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1cccc(Cl)c1 ZINC000414364941 1021134918 /nfs/dbraw/zinc/13/49/18/1021134918.db2.gz NGOZIPFRQYMNGL-BRWVUGGUSA-N 2 0 322.880 3.714 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543759 1021149468 /nfs/dbraw/zinc/14/94/68/1021149468.db2.gz RRALUOAQPQSLFU-IRXDYDNUSA-N 2 0 308.416 3.836 20 0 DHADRP c1ccc(C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000647550351 1021156905 /nfs/dbraw/zinc/15/69/05/1021156905.db2.gz MQASMLJWHKNQRB-NJDAHSKKSA-N 2 0 320.480 3.796 20 0 DHADRP CC1(C)C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC001171972209 1032957949 /nfs/dbraw/zinc/95/79/49/1032957949.db2.gz OIBNSTXPCPXQNB-ROUUACIJSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423369055 1021188746 /nfs/dbraw/zinc/18/87/46/1021188746.db2.gz DTAYJDKVLXXYJN-FMKPAKJESA-N 2 0 308.853 3.722 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423370886 1021191860 /nfs/dbraw/zinc/19/18/60/1021191860.db2.gz FYPPYDAUSDLXJB-XJKCOSOUSA-N 2 0 308.853 3.722 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)c1nc2ccccc2s1 ZINC000423371490 1021192567 /nfs/dbraw/zinc/19/25/67/1021192567.db2.gz GINCZOWRGRANOC-IGQOVBAYSA-N 2 0 303.475 3.648 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCSCc2ccccc2)C1 ZINC000090551760 1021232851 /nfs/dbraw/zinc/23/28/51/1021232851.db2.gz GBCMBMWRBFKNSS-SFHVURJKSA-N 2 0 306.519 3.584 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000251797604 1021255889 /nfs/dbraw/zinc/25/58/89/1021255889.db2.gz XNZIAIIGZCSOGZ-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423481504 1021258447 /nfs/dbraw/zinc/25/84/47/1021258447.db2.gz WWMACEMYNQCDEP-AITUJVMLSA-N 2 0 304.453 3.543 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccns1 ZINC000924584992 1021264202 /nfs/dbraw/zinc/26/42/02/1021264202.db2.gz OZKFQGZJTFOWGG-CQSZACIVSA-N 2 0 303.475 3.836 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000166149691 1021387765 /nfs/dbraw/zinc/38/77/65/1021387765.db2.gz JEYPXAAJMKUYFQ-RTBURBONSA-N 2 0 320.521 3.721 20 0 DHADRP [NH3+][C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1F ZINC001206154417 1032977319 /nfs/dbraw/zinc/97/73/19/1032977319.db2.gz IXQSOFVYKDOSPI-MOPGFXCFSA-N 2 0 314.404 3.740 20 0 DHADRP [NH3+][C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1F ZINC001206154419 1032977386 /nfs/dbraw/zinc/97/73/86/1032977386.db2.gz IXQSOFVYKDOSPI-RBUKOAKNSA-N 2 0 314.404 3.740 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000236609097 1021467135 /nfs/dbraw/zinc/46/71/35/1021467135.db2.gz JLGRZRFBZSLSAD-KRWDZBQOSA-N 2 0 316.489 3.610 20 0 DHADRP C[N@@H+](CCc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820971 1021486314 /nfs/dbraw/zinc/48/63/14/1021486314.db2.gz GBITZIUYUGOXKC-UHFFFAOYSA-N 2 0 323.484 3.863 20 0 DHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCCC1 ZINC000092821038 1021487530 /nfs/dbraw/zinc/48/75/30/1021487530.db2.gz XVBMLELVGLECMZ-UHFFFAOYSA-N 2 0 301.478 3.810 20 0 DHADRP CC[C@@H](C)C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000093066473 1021505070 /nfs/dbraw/zinc/50/50/70/1021505070.db2.gz LNUQRFJBGCMNDP-MRXNPFEDSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000129529513 1021505894 /nfs/dbraw/zinc/50/58/94/1021505894.db2.gz DSQBWVWIFWPHMC-UTKZUKDTSA-N 2 0 324.468 3.695 20 0 DHADRP C(CC1SCCS1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000850407329 1021514180 /nfs/dbraw/zinc/51/41/80/1021514180.db2.gz DNJDHXCUCWSPKF-UHFFFAOYSA-N 2 0 314.564 3.569 20 0 DHADRP CC(C)[N@H+](CCC1C[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001236092305 1021517672 /nfs/dbraw/zinc/51/76/72/1021517672.db2.gz JAOQAUNBHWMVQC-UHFFFAOYSA-N 2 0 301.261 3.813 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850430440 1021529072 /nfs/dbraw/zinc/52/90/72/1021529072.db2.gz KTHJQYWGQUSWJT-HNNXBMFYSA-N 2 0 314.473 3.679 20 0 DHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183604 1021584992 /nfs/dbraw/zinc/58/49/92/1021584992.db2.gz SBSXAZVODRCABZ-GFCCVEGCSA-N 2 0 311.267 3.571 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000556177842 1021590317 /nfs/dbraw/zinc/59/03/17/1021590317.db2.gz OQWJJGZUIOUTSL-HYVNUMGLSA-N 2 0 308.416 3.847 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000850584173 1021625149 /nfs/dbraw/zinc/62/51/49/1021625149.db2.gz PDAWSVAXAJIZES-INIZCTEOSA-N 2 0 316.489 3.858 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000924608380 1021665280 /nfs/dbraw/zinc/66/52/80/1021665280.db2.gz NVIPJOWARBEVQJ-HXUWFJFHSA-N 2 0 309.457 3.774 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000926862201 1021680506 /nfs/dbraw/zinc/68/05/06/1021680506.db2.gz WJODKSSMJQXPSE-MAUKXSAKSA-N 2 0 302.462 3.501 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C)ns2)c1 ZINC000638382450 1021686343 /nfs/dbraw/zinc/68/63/43/1021686343.db2.gz WHMRYWHFCXBVQH-UHFFFAOYSA-N 2 0 303.475 3.583 20 0 DHADRP c1cn2cc(C[NH2+]CCCCCCC[NH+]3CCCC3)sc2n1 ZINC000892937921 1021700261 /nfs/dbraw/zinc/70/02/61/1021700261.db2.gz IHIRHSSUACEIOA-UHFFFAOYSA-N 2 0 320.506 3.532 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000538159567 1032999536 /nfs/dbraw/zinc/99/95/36/1032999536.db2.gz VXGZHKMUOOTVAT-UHFFFAOYSA-N 2 0 324.468 3.936 20 0 DHADRP c1cc2cnccc2c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000183421341 1021851351 /nfs/dbraw/zinc/85/13/51/1021851351.db2.gz WCMQNPVMEHFEMN-WIYYLYMNSA-N 2 0 321.468 3.684 20 0 DHADRP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110894 1033012007 /nfs/dbraw/zinc/01/20/07/1033012007.db2.gz QWPQXLBMCKHVKZ-VBIBTDTNSA-N 2 0 319.537 3.516 20 0 DHADRP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000556868807 1021907918 /nfs/dbraw/zinc/90/79/18/1021907918.db2.gz WEJRTWZZJMJQHM-IPMKNSEASA-N 2 0 316.489 3.746 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000556869093 1021912441 /nfs/dbraw/zinc/91/24/41/1021912441.db2.gz CMYDASICPXGTKW-QRQLOZEOSA-N 2 0 300.490 3.735 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000556872844 1021914968 /nfs/dbraw/zinc/91/49/68/1021914968.db2.gz RWYLFCXKGFEPBO-CVEARBPZSA-N 2 0 324.459 3.996 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001172117795 1033015447 /nfs/dbraw/zinc/01/54/47/1033015447.db2.gz NEDUITGXHLTPSH-BCDXTJNWSA-N 2 0 316.489 3.969 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1C ZINC000556879429 1021920962 /nfs/dbraw/zinc/92/09/62/1021920962.db2.gz UCTVDQBGXILRIE-GUDVDZBRSA-N 2 0 316.489 3.535 20 0 DHADRP CCC[NH+]1CCC(N[C@H](C)c2ccccc2OC(C)C)CC1 ZINC000378927623 1021947442 /nfs/dbraw/zinc/94/74/42/1021947442.db2.gz VEIKFXCZEUXMTG-MRXNPFEDSA-N 2 0 304.478 3.999 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000634733925 1021957416 /nfs/dbraw/zinc/95/74/16/1021957416.db2.gz RTLIFKBXSOFWNR-JTQLQIEISA-N 2 0 306.397 3.635 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CSc3ccccc3C2)cc1 ZINC001172183384 1033023209 /nfs/dbraw/zinc/02/32/09/1033023209.db2.gz DHSAPKUHQOSJEW-SFHVURJKSA-N 2 0 312.482 3.555 20 0 DHADRP COc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1Cl ZINC000659877817 1022029229 /nfs/dbraw/zinc/02/92/29/1022029229.db2.gz UZGSUWHVFBGULT-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001172119330 1033024617 /nfs/dbraw/zinc/02/46/17/1033024617.db2.gz YQOXDTYXAWZEDR-NCOADZHNSA-N 2 0 323.484 3.645 20 0 DHADRP COc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1Cl ZINC000852006931 1022056970 /nfs/dbraw/zinc/05/69/70/1022056970.db2.gz GOAIPIGKCBEUAY-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP COc1c(C)cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000920180695 1022072851 /nfs/dbraw/zinc/07/28/51/1022072851.db2.gz WRRFHWUPEGACAN-HNNXBMFYSA-N 2 0 304.478 3.524 20 0 DHADRP Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000390561542 1022074326 /nfs/dbraw/zinc/07/43/26/1022074326.db2.gz AQNDBZUDISURHI-IHWFROFDSA-N 2 0 322.452 3.677 20 0 DHADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(C)C ZINC000766450671 1022120642 /nfs/dbraw/zinc/12/06/42/1022120642.db2.gz CDFSXYKRRLLJEO-RTBURBONSA-N 2 0 322.537 3.967 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CSc3ccccc3C2)c1 ZINC001172191497 1033031534 /nfs/dbraw/zinc/03/15/34/1033031534.db2.gz SHUKMYHNCCCZFP-SFHVURJKSA-N 2 0 312.482 3.555 20 0 DHADRP CC[C@@H](CSc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893180874 1022176675 /nfs/dbraw/zinc/17/66/75/1022176675.db2.gz JPDZKGOUECFTDF-XYTVBORESA-N 2 0 304.503 3.772 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241757 1022241812 /nfs/dbraw/zinc/24/18/12/1022241812.db2.gz XOEJYSHLBKAGGE-AEFFLSMTSA-N 2 0 316.489 3.858 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccc(Cl)cc3)CC1)C2 ZINC001169098799 1022246041 /nfs/dbraw/zinc/24/60/41/1022246041.db2.gz KXHXGLWQEREGHW-OSYLJGHBSA-N 2 0 304.865 3.586 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1ccc(Cl)cc1)C2 ZINC001169090916 1022255162 /nfs/dbraw/zinc/25/51/62/1022255162.db2.gz NRWPBUPJXKNFHN-BJWYYQGGSA-N 2 0 306.881 3.876 20 0 DHADRP CCCCCC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000766600424 1022261953 /nfs/dbraw/zinc/26/19/53/1022261953.db2.gz MBKIUFZMUZNNLA-OALUTQOASA-N 2 0 324.553 3.950 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C2 ZINC001169106842 1022267684 /nfs/dbraw/zinc/26/76/84/1022267684.db2.gz AJYCFKQFTGBYKT-YJIWRGBVSA-N 2 0 304.400 3.570 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCc1ccc(Cl)cc1)C2 ZINC001169109590 1022268431 /nfs/dbraw/zinc/26/84/31/1022268431.db2.gz DZXIVDDMSJHCKM-NNZMDNLPSA-N 2 0 306.881 3.878 20 0 DHADRP Cc1cc2cc[nH]c2c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001169141920 1022271845 /nfs/dbraw/zinc/27/18/45/1022271845.db2.gz LEKHZFLODSEXSO-KBXCAEBGSA-N 2 0 300.450 3.827 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1c1ccccc1F)C2 ZINC001169142427 1022273707 /nfs/dbraw/zinc/27/37/07/1022273707.db2.gz UMVSJGSVKRVKQE-PASDCYSWSA-N 2 0 302.437 3.978 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Sc3ccccc3)CC1)C2 ZINC001169152268 1022281559 /nfs/dbraw/zinc/28/15/59/1022281559.db2.gz BQWHGROASKWADB-BJWYYQGGSA-N 2 0 316.514 3.868 20 0 DHADRP c1ccc(CCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000620759934 1022285489 /nfs/dbraw/zinc/28/54/89/1022285489.db2.gz DIDRLVJIDHSPMK-UHFFFAOYSA-N 2 0 308.469 3.873 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]([NH3+])C1 ZINC000925541334 1022305224 /nfs/dbraw/zinc/30/52/24/1022305224.db2.gz KWZJKEIFGXYQBH-SYQHCUMBSA-N 2 0 306.416 3.851 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000659989620 1022306991 /nfs/dbraw/zinc/30/69/91/1022306991.db2.gz PUTVETVKHUDMMZ-WSTZPKSXSA-N 2 0 300.490 3.844 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(c3ccccc3)CCCCC2)CC1 ZINC001169222002 1022309108 /nfs/dbraw/zinc/30/91/08/1022309108.db2.gz VJSJJGMIFJBOAI-UHFFFAOYSA-N 2 0 300.490 3.962 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654925 1022383614 /nfs/dbraw/zinc/38/36/14/1022383614.db2.gz KBGVSQAKSZSJHO-DOTOQJQBSA-N 2 0 306.881 3.648 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000695658101 1022395599 /nfs/dbraw/zinc/39/55/99/1022395599.db2.gz ZQOIVIINCCRMSN-ZOBUZTSGSA-N 2 0 306.881 3.647 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000671098755 1022442352 /nfs/dbraw/zinc/44/23/52/1022442352.db2.gz YQQVVQVMVPTCED-KRWDZBQOSA-N 2 0 318.505 3.822 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172200578 1033061228 /nfs/dbraw/zinc/06/12/28/1033061228.db2.gz LCPGVWRDAGRUBC-KRWDZBQOSA-N 2 0 318.530 3.946 20 0 DHADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000271909327 1022487197 /nfs/dbraw/zinc/48/71/97/1022487197.db2.gz XPNSKFLDILPVFA-MRXNPFEDSA-N 2 0 323.278 3.752 20 0 DHADRP Cc1ccc(C)c(OCCC[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000615464212 1022490010 /nfs/dbraw/zinc/49/00/10/1022490010.db2.gz ZODXOOJERSHUJT-UHFFFAOYSA-N 2 0 318.505 3.736 20 0 DHADRP CC[NH+](CC)Cc1cccc(NC(C)(C)CC[NH+](C)C)c1F ZINC001169718199 1022516377 /nfs/dbraw/zinc/51/63/77/1022516377.db2.gz TVYBANJMXNPUHI-UHFFFAOYSA-N 2 0 309.473 3.810 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000671110851 1022540700 /nfs/dbraw/zinc/54/07/00/1022540700.db2.gz BDIJJBDDTSWIRV-KRWDZBQOSA-N 2 0 318.505 3.966 20 0 DHADRP c1cc2[nH]c3cc(NCC45CC[NH+](CC4)CC5)ccc3c2c[nH+]1 ZINC001169803406 1022541999 /nfs/dbraw/zinc/54/19/99/1022541999.db2.gz YUCPURFYWDKKGX-UHFFFAOYSA-N 2 0 306.413 3.614 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179798119 1022544685 /nfs/dbraw/zinc/54/46/85/1022544685.db2.gz RENNADULXBGEFK-UHFFFAOYSA-N 2 0 310.869 3.660 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230336 1022618068 /nfs/dbraw/zinc/61/80/68/1022618068.db2.gz LNQRUQIRYPXMGD-BBRMVZONSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000158245254 1022619759 /nfs/dbraw/zinc/61/97/59/1022619759.db2.gz XXVXMFYESQCHRO-VXGBXAGGSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000158270842 1022622715 /nfs/dbraw/zinc/62/27/15/1022622715.db2.gz YRYKDYDKDWITPD-IRXDYDNUSA-N 2 0 309.457 3.741 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158550422 1022641848 /nfs/dbraw/zinc/64/18/48/1022641848.db2.gz BJYLXVWDVUAHBT-FRFSOERESA-N 2 0 324.415 3.765 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158613228 1022650426 /nfs/dbraw/zinc/65/04/26/1022650426.db2.gz PXICJSQTPRUXLI-AEFFLSMTSA-N 2 0 306.881 3.689 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000584720075 1022661258 /nfs/dbraw/zinc/66/12/58/1022661258.db2.gz RAIQAJTUXSQYQX-OCCSQVGLSA-N 2 0 315.288 3.985 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)CC1 ZINC001172249771 1033071180 /nfs/dbraw/zinc/07/11/80/1033071180.db2.gz OLTBHUIYJWVUIP-CALCHBBNSA-N 2 0 310.526 3.682 20 0 DHADRP CCC(CC)[C@@H](NC[C@@H](O)C[N@H+](C)C(C)C)c1cccs1 ZINC000660190515 1022681601 /nfs/dbraw/zinc/68/16/01/1022681601.db2.gz WRVJHIFNWPMEOF-NVXWUHKLSA-N 2 0 312.523 3.516 20 0 DHADRP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000159117871 1022690716 /nfs/dbraw/zinc/69/07/16/1022690716.db2.gz MUVZGHZDONWMTG-QGZVFWFLSA-N 2 0 318.505 3.791 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000767351269 1022693087 /nfs/dbraw/zinc/69/30/87/1022693087.db2.gz YLZRIXSBMKRKEB-GOSISDBHSA-N 2 0 311.473 3.832 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000767346348 1022693352 /nfs/dbraw/zinc/69/33/52/1022693352.db2.gz JHWUFDQLNNLHOK-IAGOWNOFSA-N 2 0 322.880 3.668 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172332085 1033079190 /nfs/dbraw/zinc/07/91/90/1033079190.db2.gz CTFRDNNSTNEYDW-IAGOWNOFSA-N 2 0 312.542 3.928 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccns1 ZINC000925609193 1022775086 /nfs/dbraw/zinc/77/50/86/1022775086.db2.gz QDEQYBFFSVQNQN-FHERZECASA-N 2 0 307.507 3.837 20 0 DHADRP CC(C)[C@@H](C[NH+]1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000584839343 1022797386 /nfs/dbraw/zinc/79/73/86/1022797386.db2.gz JUOLXRSSZUFFOS-HXUWFJFHSA-N 2 0 300.490 3.890 20 0 DHADRP CCCCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600865 1022836970 /nfs/dbraw/zinc/83/69/70/1022836970.db2.gz YBLPNZFNAKFACQ-IBGZPJMESA-N 2 0 319.493 3.565 20 0 DHADRP CCCCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600866 1022838071 /nfs/dbraw/zinc/83/80/71/1022838071.db2.gz YBLPNZFNAKFACQ-LJQANCHMSA-N 2 0 319.493 3.565 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621733832 1022848303 /nfs/dbraw/zinc/84/83/03/1022848303.db2.gz YSIGJVZCEXLIBL-WBVHZDCISA-N 2 0 322.443 3.717 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000768103221 1022890891 /nfs/dbraw/zinc/89/08/91/1022890891.db2.gz YXHGBNCOPSPJAC-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768108866 1022891271 /nfs/dbraw/zinc/89/12/71/1022891271.db2.gz RWHRVDDMOWCUSO-QYZOEREBSA-N 2 0 316.489 3.925 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000227495344 1022894647 /nfs/dbraw/zinc/89/46/47/1022894647.db2.gz ISHXHRLABCOSHO-OAHLLOKOSA-N 2 0 308.466 3.684 20 0 DHADRP C[NH+]1CCC(CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC001207487186 1022898729 /nfs/dbraw/zinc/89/87/29/1022898729.db2.gz RQTWTDVQEYRFPT-UHFFFAOYSA-N 2 0 318.480 3.812 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414908390 1022904225 /nfs/dbraw/zinc/90/42/25/1022904225.db2.gz BGVFNFUYSKTPDX-WDEREUQCSA-N 2 0 306.759 3.718 20 0 DHADRP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310075526 1022923867 /nfs/dbraw/zinc/92/38/67/1022923867.db2.gz GHPAGPNUWVHHTQ-OAQYLSRUSA-N 2 0 324.468 3.697 20 0 DHADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c2c(n1)CCCC2 ZINC000893330436 1022926884 /nfs/dbraw/zinc/92/68/84/1022926884.db2.gz JEGBGZJMXZNNOV-UHFFFAOYSA-N 2 0 323.484 3.620 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000768263468 1022935769 /nfs/dbraw/zinc/93/57/69/1022935769.db2.gz QCIJBOFPVSHHRM-UHFFFAOYSA-N 2 0 304.384 3.658 20 0 DHADRP Fc1cccc(F)c1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000164681437 1022955889 /nfs/dbraw/zinc/95/58/89/1022955889.db2.gz RMIDAVRCRBTMAW-UHFFFAOYSA-N 2 0 322.443 3.894 20 0 DHADRP CC[NH+](CC)CCCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000193460033 1023103896 /nfs/dbraw/zinc/10/38/96/1023103896.db2.gz OBRQNXCBUKMBOS-SFHVURJKSA-N 2 0 320.477 3.573 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(C[NH+](C)C)c1 ZINC000925691691 1023173109 /nfs/dbraw/zinc/17/31/09/1023173109.db2.gz JQRALJRHGVWFHP-CYBMUJFWSA-N 2 0 303.837 3.647 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000769876532 1023238263 /nfs/dbraw/zinc/23/82/63/1023238263.db2.gz SVEVHYZAJHCCJR-OAGGEKHMSA-N 2 0 321.509 3.954 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000769876891 1023238961 /nfs/dbraw/zinc/23/89/61/1023238961.db2.gz UXXOUHIJBOPMEW-GJZGRUSLSA-N 2 0 307.482 3.708 20 0 DHADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925701987 1023276729 /nfs/dbraw/zinc/27/67/29/1023276729.db2.gz IYFKLZZFGCLYBX-RRFJBIMHSA-N 2 0 319.320 3.718 20 0 DHADRP COc1ccc2c(NCC3CC[NH+](C4CC4)CC3)cc[nH+]c2c1 ZINC000770168364 1023285285 /nfs/dbraw/zinc/28/52/85/1023285285.db2.gz OUKDHUQWTIMIIO-UHFFFAOYSA-N 2 0 311.429 3.530 20 0 DHADRP CCC1(CC)CCC([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000651731888 1023505031 /nfs/dbraw/zinc/50/50/31/1023505031.db2.gz BGCCWROJOQCOMY-UHFFFAOYSA-N 2 0 310.526 3.560 20 0 DHADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000651748631 1023517493 /nfs/dbraw/zinc/51/74/93/1023517493.db2.gz RWMDXKWHSKSOAD-RBUKOAKNSA-N 2 0 301.478 3.856 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000651865158 1023604021 /nfs/dbraw/zinc/60/40/21/1023604021.db2.gz OYAIILMOULIIFX-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1CC[C@@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172371119 1033151376 /nfs/dbraw/zinc/15/13/76/1033151376.db2.gz WWTCJRMEIPUUGT-QQXMDYFESA-N 2 0 315.505 3.978 20 0 DHADRP C[C@@H]1CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172371151 1033151634 /nfs/dbraw/zinc/15/16/34/1033151634.db2.gz XDWGNWZWCLZWNS-JEIKXUOUSA-N 2 0 315.505 3.978 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C[C@H]1C ZINC001172371628 1033151888 /nfs/dbraw/zinc/15/18/88/1033151888.db2.gz VNVAUNLCICZAAG-MDZRGWNJSA-N 2 0 318.480 3.986 20 0 DHADRP CCOCC[C@H](C)[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172410991 1033156962 /nfs/dbraw/zinc/15/69/62/1033156962.db2.gz CSQYWGUZPIBSBW-SNRMKQJTSA-N 2 0 322.468 3.713 20 0 DHADRP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347935 1023806587 /nfs/dbraw/zinc/80/65/87/1023806587.db2.gz PNZQOEDICSLUFG-BASYENTBSA-N 2 0 322.880 3.619 20 0 DHADRP CCCCCC[C@H](CCC)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172388423 1033173821 /nfs/dbraw/zinc/17/38/21/1033173821.db2.gz YIHJZHAJOPCCOK-IBGZPJMESA-N 2 0 323.569 3.837 20 0 DHADRP CCCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000388619578 1023961639 /nfs/dbraw/zinc/96/16/39/1023961639.db2.gz NKPHNKQVEUEAEH-FUHWJXTLSA-N 2 0 304.478 3.828 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172394999 1033178535 /nfs/dbraw/zinc/17/85/35/1033178535.db2.gz BHRZKWCDUNTRQQ-LJQANCHMSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194956598 1024019663 /nfs/dbraw/zinc/01/96/63/1024019663.db2.gz XEOYHDNJFSZIPQ-ZMSDIMECSA-N 2 0 302.462 3.696 20 0 DHADRP CCCCCC[C@H](CCC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172389494 1033175534 /nfs/dbraw/zinc/17/55/34/1033175534.db2.gz XZMABHKVQPQLQT-SFHVURJKSA-N 2 0 310.526 3.826 20 0 DHADRP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C)c1cccc(OC)c1 ZINC000662252538 1024032682 /nfs/dbraw/zinc/03/26/82/1024032682.db2.gz PXEGWHSXQNGJRZ-MRXNPFEDSA-N 2 0 324.468 3.924 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccccc2C)C[C@H]1C ZINC000531141197 1024033075 /nfs/dbraw/zinc/03/30/75/1024033075.db2.gz RVHLHZIASLSZEP-MSOLQXFVSA-N 2 0 304.478 3.569 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662256954 1024035244 /nfs/dbraw/zinc/03/52/44/1024035244.db2.gz KPPYHATWSFAGKF-FQEVSTJZSA-N 2 0 322.452 3.678 20 0 DHADRP CN(Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000662272235 1024048827 /nfs/dbraw/zinc/04/88/27/1024048827.db2.gz CUYUJOHRUISZJJ-ZDUSSCGKSA-N 2 0 306.759 3.528 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001172399603 1033183916 /nfs/dbraw/zinc/18/39/16/1033183916.db2.gz JYHGQVYWQUGCPG-KRWDZBQOSA-N 2 0 304.478 3.770 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001172398476 1033185101 /nfs/dbraw/zinc/18/51/01/1033185101.db2.gz GJICZHCLJXXWMT-SFHVURJKSA-N 2 0 318.505 3.856 20 0 DHADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662285040 1024066322 /nfs/dbraw/zinc/06/63/22/1024066322.db2.gz VCOBPJRWCVLNSK-XMTFNYHQSA-N 2 0 308.510 3.564 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([C@H]3CCC[NH2+]C3)CC1)CC2 ZINC000662291810 1024074500 /nfs/dbraw/zinc/07/45/00/1024074500.db2.gz KTGOQCJKDWQQJC-LPHOPBHVSA-N 2 0 302.437 3.525 20 0 DHADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1Cl ZINC000662293317 1024075041 /nfs/dbraw/zinc/07/50/41/1024075041.db2.gz KFWNPUGQTPENOI-HNNXBMFYSA-N 2 0 322.880 3.560 20 0 DHADRP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297430 1024080109 /nfs/dbraw/zinc/08/01/09/1024080109.db2.gz PRHCWQRPSNXBRA-ZFWWWQNUSA-N 2 0 308.416 3.737 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1Cl ZINC000662314070 1024105427 /nfs/dbraw/zinc/10/54/27/1024105427.db2.gz BNYWZCVSJNZSNX-CZUORRHYSA-N 2 0 310.869 3.688 20 0 DHADRP C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000925244224 1024119109 /nfs/dbraw/zinc/11/91/09/1024119109.db2.gz UFKLUIRHACDGDK-QGZVFWFLSA-N 2 0 318.505 3.732 20 0 DHADRP Clc1ccc2sc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2n1 ZINC000876939583 1033187327 /nfs/dbraw/zinc/18/73/27/1033187327.db2.gz ILYCMEARMICWBV-NEPJUHHUSA-N 2 0 321.877 3.666 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876936032 1033187636 /nfs/dbraw/zinc/18/76/36/1033187636.db2.gz WSHYMQNHYMQDSO-BETUJISGSA-N 2 0 315.914 3.644 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193507966 1024156947 /nfs/dbraw/zinc/15/69/47/1024156947.db2.gz JDVRBYRNJNJCKB-CVEARBPZSA-N 2 0 302.462 3.610 20 0 DHADRP Cc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000663343959 1024171139 /nfs/dbraw/zinc/17/11/39/1024171139.db2.gz KWOBLGIVRUPHMZ-KRWDZBQOSA-N 2 0 311.473 3.688 20 0 DHADRP CC[C@H]([NH2+]CCn1ccnc1C)c1ccc(OC(F)F)cc1 ZINC000268845748 1024176636 /nfs/dbraw/zinc/17/66/36/1024176636.db2.gz WWPDCSANCVJNOB-HNNXBMFYSA-N 2 0 309.360 3.534 20 0 DHADRP c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)c2c(c1)COCC2 ZINC000882995420 1024200590 /nfs/dbraw/zinc/20/05/90/1024200590.db2.gz XMNWCSZEFJLQBX-UHFFFAOYSA-N 2 0 316.489 3.505 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OC)cc1 ZINC000269003793 1024217373 /nfs/dbraw/zinc/21/73/73/1024217373.db2.gz MFTYRMVSIIGAJY-IBGZPJMESA-N 2 0 302.462 3.753 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc2c(c1)COC2 ZINC000269057046 1024231827 /nfs/dbraw/zinc/23/18/27/1024231827.db2.gz JHEVQIWFDVTLKX-OAHLLOKOSA-N 2 0 314.473 3.774 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531699826 1024275275 /nfs/dbraw/zinc/27/52/75/1024275275.db2.gz KOSWCPQOEWEJQQ-SOLBZPMBSA-N 2 0 304.478 3.856 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000453106317 1024332817 /nfs/dbraw/zinc/33/28/17/1024332817.db2.gz IQCPGDJMIIJTNZ-TZIWHRDSSA-N 2 0 323.484 3.687 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000453108172 1024335819 /nfs/dbraw/zinc/33/58/19/1024335819.db2.gz NNXMDWYAQPIYOK-NQIIRXRSSA-N 2 0 312.501 3.719 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000453146579 1024351331 /nfs/dbraw/zinc/35/13/31/1024351331.db2.gz XFRKKVNCZPATMW-QGZVFWFLSA-N 2 0 315.505 3.789 20 0 DHADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000790749426 1024371198 /nfs/dbraw/zinc/37/11/98/1024371198.db2.gz DHCNMOGZXTVAKO-GOSISDBHSA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001170145298 1024383671 /nfs/dbraw/zinc/38/36/71/1024383671.db2.gz UHCUXFYCWRVJJQ-HKUYNNGSSA-N 2 0 313.489 3.558 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000453192164 1024392381 /nfs/dbraw/zinc/39/23/81/1024392381.db2.gz JAMCSUJVBZDWLB-QZTJIDSGSA-N 2 0 303.494 3.647 20 0 DHADRP CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)(C)C ZINC000453195394 1024392411 /nfs/dbraw/zinc/39/24/11/1024392411.db2.gz JVNSTMFRVAFRBJ-OALUTQOASA-N 2 0 318.505 3.558 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(CO)c1 ZINC000270526733 1024401117 /nfs/dbraw/zinc/40/11/17/1024401117.db2.gz SWAYCGCRNOPVJH-MRXNPFEDSA-N 2 0 316.489 3.627 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453214656 1024405623 /nfs/dbraw/zinc/40/56/23/1024405623.db2.gz FCHQSNLKAPPEOB-CXQPBAHBSA-N 2 0 316.464 3.910 20 0 DHADRP Fc1ccc(C2CC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663467415 1024405569 /nfs/dbraw/zinc/40/55/69/1024405569.db2.gz FPIWMKAVVNNYBV-VQSBYGRUSA-N 2 0 316.464 3.783 20 0 DHADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464674 1024406308 /nfs/dbraw/zinc/40/63/08/1024406308.db2.gz FXDHHHIGBKKZFE-MAUKXSAKSA-N 2 0 306.519 3.781 20 0 DHADRP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467177 1024408386 /nfs/dbraw/zinc/40/83/86/1024408386.db2.gz DDWBUTQDJRBVSP-WBVHZDCISA-N 2 0 304.503 3.837 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000663467098 1024409786 /nfs/dbraw/zinc/40/97/86/1024409786.db2.gz ZOXIAUUMHIRHLW-LAVFITLUSA-N 2 0 318.530 3.952 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC4(COC4)CC3)CC2)C1 ZINC000883379285 1024410536 /nfs/dbraw/zinc/41/05/36/1024410536.db2.gz VOHUANTVTAMQMO-LPHOPBHVSA-N 2 0 320.521 3.578 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2CC)[C@H](C)C1 ZINC000453296601 1024445507 /nfs/dbraw/zinc/44/55/07/1024445507.db2.gz YWCDXBWDDOWSFN-XWSJACJDSA-N 2 0 310.526 3.539 20 0 DHADRP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000166027034 1024447694 /nfs/dbraw/zinc/44/76/94/1024447694.db2.gz CWAFIVCZPWXPHD-UYAOXDASSA-N 2 0 316.489 3.620 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cscn1 ZINC000271126225 1024458512 /nfs/dbraw/zinc/45/85/12/1024458512.db2.gz KRHSMUGTTHMNNC-ZDUSSCGKSA-N 2 0 321.515 3.767 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000453358480 1024479710 /nfs/dbraw/zinc/47/97/10/1024479710.db2.gz OETYGNSTJLRXEA-GTAWCEEGSA-N 2 0 300.490 3.890 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001167824211 1024480321 /nfs/dbraw/zinc/48/03/21/1024480321.db2.gz CRNFCLNJXZUMFD-INIZCTEOSA-N 2 0 322.493 3.646 20 0 DHADRP CC[C@@H](O)[C@H](CC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453358163 1024481368 /nfs/dbraw/zinc/48/13/68/1024481368.db2.gz JYUVDILTEQLWQD-GHBBCFCZSA-N 2 0 318.505 3.569 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC001167826116 1024499416 /nfs/dbraw/zinc/49/94/16/1024499416.db2.gz MJPAASWBDTUBOH-QGZVFWFLSA-N 2 0 304.478 3.702 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCCO2 ZINC000453401041 1024499831 /nfs/dbraw/zinc/49/98/31/1024499831.db2.gz MPWSKDPVZRFNCK-SFHVURJKSA-N 2 0 302.462 3.673 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@H](C)C1 ZINC000453405003 1024502344 /nfs/dbraw/zinc/50/23/44/1024502344.db2.gz SHHWPIDGEAPSQI-MJGOQNOKSA-N 2 0 322.537 3.850 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453405294 1024502389 /nfs/dbraw/zinc/50/23/89/1024502389.db2.gz QHTXXTPYKHLBQS-QZTJIDSGSA-N 2 0 315.505 3.880 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000453409314 1024506351 /nfs/dbraw/zinc/50/63/51/1024506351.db2.gz GDNGLWWTGDXRDB-OXQOHEQNSA-N 2 0 315.505 3.565 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453392454 1024510869 /nfs/dbraw/zinc/51/08/69/1024510869.db2.gz FLJXNYLSDSPCTP-ZDUSSCGKSA-N 2 0 310.869 3.874 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)ccc1SC ZINC000453393720 1024510909 /nfs/dbraw/zinc/51/09/09/1024510909.db2.gz FZMFKKZSXKIBQS-CQSZACIVSA-N 2 0 322.518 3.942 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001167827439 1024511868 /nfs/dbraw/zinc/51/18/68/1024511868.db2.gz WBCMBMRNIADPRR-QUCCMNQESA-N 2 0 318.505 3.788 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001167827440 1024512246 /nfs/dbraw/zinc/51/22/46/1024512246.db2.gz WBCMBMRNIADPRR-UYAOXDASSA-N 2 0 318.505 3.788 20 0 DHADRP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000453428285 1024519944 /nfs/dbraw/zinc/51/99/44/1024519944.db2.gz PQVYCHXEBMVXCJ-INIZCTEOSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523168 1024520969 /nfs/dbraw/zinc/52/09/69/1024520969.db2.gz XARUBRODJHXHMC-GOEBONIOSA-N 2 0 308.853 3.594 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000315051551 1024534487 /nfs/dbraw/zinc/53/44/87/1024534487.db2.gz ZQVITBHZXMLJCU-MRXNPFEDSA-N 2 0 304.478 3.856 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000643534003 1024538012 /nfs/dbraw/zinc/53/80/12/1024538012.db2.gz JGGFSVUKXQHRLF-LSDHHAIUSA-N 2 0 323.278 3.632 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536329 1024539559 /nfs/dbraw/zinc/53/95/59/1024539559.db2.gz SXHYKOATXAHZBN-IAGOWNOFSA-N 2 0 304.503 3.535 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1csc(-c2cccs2)n1)C1CC1 ZINC000453590746 1024546606 /nfs/dbraw/zinc/54/66/06/1024546606.db2.gz BELVBNXBXCZKCK-UHFFFAOYSA-N 2 0 321.515 3.836 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000315731523 1024561651 /nfs/dbraw/zinc/56/16/51/1024561651.db2.gz CPMSVHVGBJRDRM-UHFFFAOYSA-N 2 0 319.836 3.556 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001167833445 1024567337 /nfs/dbraw/zinc/56/73/37/1024567337.db2.gz BKAWZZMDVQFJSG-AWEZNQCLSA-N 2 0 310.432 3.833 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1Cc2cc(OC)c(OC)cc2C1 ZINC001167833900 1024574322 /nfs/dbraw/zinc/57/43/22/1024574322.db2.gz FLRDNPWAMJWHDN-OAHLLOKOSA-N 2 0 320.477 3.530 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000558255166 1024576082 /nfs/dbraw/zinc/57/60/82/1024576082.db2.gz NAZLGCUAVJOGCS-QKLQHJQFSA-N 2 0 318.505 3.897 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000532235239 1024585983 /nfs/dbraw/zinc/58/59/83/1024585983.db2.gz SPNMIQTWTYHJMS-UXHICEINSA-N 2 0 316.489 3.678 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC000925798537 1024588062 /nfs/dbraw/zinc/58/80/62/1024588062.db2.gz LLESZSWQVQYWFL-IIAWOOMASA-N 2 0 315.486 3.706 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390898314 1024619230 /nfs/dbraw/zinc/61/92/30/1024619230.db2.gz FOCDBYHWJDGPQI-NXHRZFHOSA-N 2 0 318.530 3.628 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC001167838487 1024622636 /nfs/dbraw/zinc/62/26/36/1024622636.db2.gz VMODRIYRDAZQLH-OAHLLOKOSA-N 2 0 303.450 3.770 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000558258580 1024631035 /nfs/dbraw/zinc/63/10/35/1024631035.db2.gz OBCKDFBYIOJNLT-JZXOWHBKSA-N 2 0 304.478 3.650 20 0 DHADRP Clc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000166721650 1024641487 /nfs/dbraw/zinc/64/14/87/1024641487.db2.gz RJYMVEAVRGVESP-JKSUJKDBSA-N 2 0 317.864 3.580 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)c2cccnc2)CC1)CC1CC1 ZINC000538950216 1033227312 /nfs/dbraw/zinc/22/73/12/1033227312.db2.gz XTBCDKAWBLAHQE-QGZVFWFLSA-N 2 0 315.505 3.977 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(c2cccnc2)CC1 ZINC001167842863 1024678981 /nfs/dbraw/zinc/67/89/81/1024678981.db2.gz ZJBHXAKGVMYTIS-QGZVFWFLSA-N 2 0 303.494 3.772 20 0 DHADRP CCN(CCC[NH+]1CCCC1)Cc1cccc(OC(F)F)c1 ZINC000349403554 1024714470 /nfs/dbraw/zinc/71/44/70/1024714470.db2.gz CWQGSPUMHQLTKS-UHFFFAOYSA-N 2 0 312.404 3.596 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)CCO1 ZINC000648454215 1024734992 /nfs/dbraw/zinc/73/49/92/1024734992.db2.gz OGAIWVUQHOGZIL-PWIZWCRZSA-N 2 0 316.489 3.759 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001170387222 1024760535 /nfs/dbraw/zinc/76/05/35/1024760535.db2.gz RTOJYCKXYFLXNT-RTBURBONSA-N 2 0 318.505 3.692 20 0 DHADRP CCCCCC[C@@H](CCCC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172511405 1033238020 /nfs/dbraw/zinc/23/80/20/1033238020.db2.gz QKAKXCRUJJHZHM-LJQANCHMSA-N 2 0 311.558 3.743 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666229561 1024810115 /nfs/dbraw/zinc/81/01/15/1024810115.db2.gz RHIMAMNGORZPFN-FSDCSDTHSA-N 2 0 308.416 3.530 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000348314026 1024954779 /nfs/dbraw/zinc/95/47/79/1024954779.db2.gz HBVORGITSYBTJO-TXQGORRRSA-N 2 0 304.453 3.910 20 0 DHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]CC3(C)CCC3)cc2)C[C@H](C)O1 ZINC000434777049 1024959536 /nfs/dbraw/zinc/95/95/36/1024959536.db2.gz SOBPFONSODJTCL-IRXDYDNUSA-N 2 0 316.489 3.576 20 0 DHADRP c1cc2c(cc[nH+]c2N2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000663743844 1024984138 /nfs/dbraw/zinc/98/41/38/1024984138.db2.gz ZWRCYLTVTXJEQW-UHFFFAOYSA-N 2 0 312.461 3.655 20 0 DHADRP Fc1ccccc1OC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000639980182 1025012743 /nfs/dbraw/zinc/01/27/43/1025012743.db2.gz LLITXKZSAHUPMK-UHFFFAOYSA-N 2 0 320.452 3.545 20 0 DHADRP [NH3+]C1CCC([NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000320170851 1025017857 /nfs/dbraw/zinc/01/78/57/1025017857.db2.gz QOYWXKZKKNVANZ-UHFFFAOYSA-N 2 0 308.469 3.700 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)N1CCC([N@H+](C)C2CC2)CC1 ZINC001168189251 1025048115 /nfs/dbraw/zinc/04/81/15/1025048115.db2.gz RHZJPPFDZWZEKB-AWEZNQCLSA-N 2 0 306.881 3.830 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)[C@@H]2CCC[C@@H]21 ZINC000353401802 1025054552 /nfs/dbraw/zinc/05/45/52/1025054552.db2.gz IGLBROGYCGCMCV-SJWGOKEGSA-N 2 0 320.477 3.825 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000353404901 1025056444 /nfs/dbraw/zinc/05/64/44/1025056444.db2.gz NHVZDBVWLBQGDW-XBVQOTNRSA-N 2 0 302.487 3.686 20 0 DHADRP CC(C)C1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000539056248 1033260486 /nfs/dbraw/zinc/26/04/86/1033260486.db2.gz BSNBYMYPJAMFTJ-MRXNPFEDSA-N 2 0 304.478 3.714 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000120969207 1025070089 /nfs/dbraw/zinc/07/00/89/1025070089.db2.gz CUALYWVWWMIZAK-AWEZNQCLSA-N 2 0 318.440 3.516 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1ccc2cnccc2c1)C1CCCCC1 ZINC000324214633 1025083056 /nfs/dbraw/zinc/08/30/56/1025083056.db2.gz AZINCHIOUDBYNY-UHFFFAOYSA-N 2 0 311.473 3.979 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000121411387 1025089363 /nfs/dbraw/zinc/08/93/63/1025089363.db2.gz LXGBGRLTIRQAKB-LRDDRELGSA-N 2 0 319.449 3.793 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCC1 ZINC000666454365 1025090311 /nfs/dbraw/zinc/09/03/11/1025090311.db2.gz XXTQIHUVVYYCPT-KRWDZBQOSA-N 2 0 316.489 3.720 20 0 DHADRP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000321664226 1025117735 /nfs/dbraw/zinc/11/77/35/1025117735.db2.gz RGVRCGXNSVZKLH-PWIZWCRZSA-N 2 0 316.489 3.543 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000391357123 1025119629 /nfs/dbraw/zinc/11/96/29/1025119629.db2.gz AXVKMUDLIMMFSC-RBUKOAKNSA-N 2 0 316.489 3.828 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cc(C3CC3)ccn2)[C@H](C)C1 ZINC000353552260 1025124774 /nfs/dbraw/zinc/12/47/74/1025124774.db2.gz YFNHZHCKQVQOBA-QAPCUYQASA-N 2 0 317.477 3.508 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000584683949 1025130686 /nfs/dbraw/zinc/13/06/86/1025130686.db2.gz LQSCMHOUPAODGM-CAMMJAKZSA-N 2 0 310.526 3.559 20 0 DHADRP CSC1(C[NH2+][C@H]2CCCCc3ccccc32)CC[NH+](C)CC1 ZINC000353634226 1025168085 /nfs/dbraw/zinc/16/80/85/1025168085.db2.gz ZHPGRCUJZYPJLC-SFHVURJKSA-N 2 0 318.530 3.871 20 0 DHADRP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400964536 1025204057 /nfs/dbraw/zinc/20/40/57/1025204057.db2.gz KADMXVMDYSADAR-MWDXBVQZSA-N 2 0 302.462 3.513 20 0 DHADRP C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1OC(F)F ZINC000122855466 1025215419 /nfs/dbraw/zinc/21/54/19/1025215419.db2.gz AZDUQDPDAIXXRJ-LBPRGKRZSA-N 2 0 310.388 3.565 20 0 DHADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+](C)CCC[NH+](C)C ZINC001172572507 1033267994 /nfs/dbraw/zinc/26/79/94/1033267994.db2.gz YQDGSYRIMUEZLH-LBPRGKRZSA-N 2 0 318.839 3.823 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000539073628 1033268290 /nfs/dbraw/zinc/26/82/90/1033268290.db2.gz NZXBOFSIRAGVOT-KURKYZTESA-N 2 0 318.505 3.789 20 0 DHADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000666611899 1025246217 /nfs/dbraw/zinc/24/62/17/1025246217.db2.gz PBXUGDVRTYGMEB-TZMCWYRMSA-N 2 0 300.368 3.525 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000279797342 1025265167 /nfs/dbraw/zinc/26/51/67/1025265167.db2.gz VVBCWHMPOXNWRC-YQVWRLOYSA-N 2 0 306.494 3.863 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC000171127115 1025300717 /nfs/dbraw/zinc/30/07/17/1025300717.db2.gz WKCUWDWAZTVFMM-MRXNPFEDSA-N 2 0 316.445 3.769 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353946937 1025301362 /nfs/dbraw/zinc/30/13/62/1025301362.db2.gz KBBDFVKKQMECJJ-KSZLIROESA-N 2 0 304.503 3.512 20 0 DHADRP C[C@H](c1ccsc1)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663804228 1025301676 /nfs/dbraw/zinc/30/16/76/1025301676.db2.gz LAYGINIPBYKENP-CYBMUJFWSA-N 2 0 312.442 3.508 20 0 DHADRP COc1cccc(CC2([NH3+])CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC001168206398 1025319772 /nfs/dbraw/zinc/31/97/72/1025319772.db2.gz RXCXZJXYDTVWCE-UHFFFAOYSA-N 2 0 316.489 3.610 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000124143731 1025322563 /nfs/dbraw/zinc/32/25/63/1025322563.db2.gz MHRMYQZDIIUXGL-STQMWFEESA-N 2 0 316.367 3.578 20 0 DHADRP CC1CCC([NH2+]CCCP(CCC[NH3+])c2ccccc2)CC1 ZINC001168206673 1025323686 /nfs/dbraw/zinc/32/36/86/1025323686.db2.gz ZYMWBXLVZYPGEZ-UHFFFAOYSA-N 2 0 320.461 3.701 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)C2CCCC2)cc1F ZINC000354185064 1025376956 /nfs/dbraw/zinc/37/69/56/1025376956.db2.gz BVIJGCFSGBEPSY-CYBMUJFWSA-N 2 0 301.409 3.988 20 0 DHADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000877314891 1033280200 /nfs/dbraw/zinc/28/02/00/1033280200.db2.gz GYEFPGZIPKBHSQ-MRUHUIDDSA-N 2 0 318.442 3.564 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC(C)C)[C@H](C)C1 ZINC000539122263 1033280613 /nfs/dbraw/zinc/28/06/13/1033280613.db2.gz WIYOJLVMNAJDJZ-MSOLQXFVSA-N 2 0 312.542 3.785 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000885905117 1025402010 /nfs/dbraw/zinc/40/20/10/1025402010.db2.gz IBZFFLDRALFBLW-UXHICEINSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000125427968 1025402762 /nfs/dbraw/zinc/40/27/62/1025402762.db2.gz HTEORMGJOOKKLX-ZDUSSCGKSA-N 2 0 303.475 3.679 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](OC)CC2)c1 ZINC000885969634 1025423812 /nfs/dbraw/zinc/42/38/12/1025423812.db2.gz YMZHXPSYCUHWEO-OALUTQOASA-N 2 0 304.478 3.576 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000925883015 1025434788 /nfs/dbraw/zinc/43/47/88/1025434788.db2.gz RELZMIXKLCXRGT-IUIKQTSFSA-N 2 0 323.278 3.617 20 0 DHADRP Fc1cccc(/C=C\C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000886010000 1025436493 /nfs/dbraw/zinc/43/64/93/1025436493.db2.gz BTZFCEHYJICYCK-XQRVVYSFSA-N 2 0 302.437 3.836 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(Cl)cn3)CC2)CC1 ZINC000886043651 1025449405 /nfs/dbraw/zinc/44/94/05/1025449405.db2.gz HAVRUBOKHWMJJR-UHFFFAOYSA-N 2 0 321.896 3.868 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CCCC1 ZINC000886061945 1025460998 /nfs/dbraw/zinc/46/09/98/1025460998.db2.gz CKXZEPWVOYDEGS-QGZVFWFLSA-N 2 0 308.510 3.580 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccc1OC(C)C ZINC000125279281 1025462434 /nfs/dbraw/zinc/46/24/34/1025462434.db2.gz MFQQVSOBNBDFKC-YQQAZPJKSA-N 2 0 320.477 3.616 20 0 DHADRP C[C@@H](CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)OCc1ccccc1 ZINC000354699186 1025482199 /nfs/dbraw/zinc/48/21/99/1025482199.db2.gz FMZLXCZMDKKVPM-WMZOPIPTSA-N 2 0 313.445 3.585 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000125574358 1025484134 /nfs/dbraw/zinc/48/41/34/1025484134.db2.gz VJEHUEPGKKBZPH-UONOGXRCSA-N 2 0 309.523 3.787 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685251 1033287005 /nfs/dbraw/zinc/28/70/05/1033287005.db2.gz OGPRXLKRQSSIKH-QLFBSQMISA-N 2 0 307.482 3.700 20 0 DHADRP C(CC[NH2+][C@H]1CCOC2(CCCCC2)C1)CC[NH+]1CCCC1 ZINC000886127480 1025519965 /nfs/dbraw/zinc/51/99/65/1025519965.db2.gz LLXWITRUVMYEKF-SFHVURJKSA-N 2 0 308.510 3.724 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)o1 ZINC000128250028 1025571138 /nfs/dbraw/zinc/57/11/38/1025571138.db2.gz PSKDOYZUZANUIC-HNNXBMFYSA-N 2 0 313.445 3.865 20 0 DHADRP CCc1nc(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cs1 ZINC000886521189 1025674583 /nfs/dbraw/zinc/67/45/83/1025674583.db2.gz WGZAVRFKTBCFPR-UHFFFAOYSA-N 2 0 321.534 3.635 20 0 DHADRP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000894061697 1025680837 /nfs/dbraw/zinc/68/08/37/1025680837.db2.gz QBSWYHNDPVGAJJ-INIZCTEOSA-N 2 0 314.395 3.920 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(OC)c1 ZINC000131171369 1025686338 /nfs/dbraw/zinc/68/63/38/1025686338.db2.gz IUJANOYMUNJLEL-IBGZPJMESA-N 2 0 304.478 3.856 20 0 DHADRP CCOCCC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886554764 1025698676 /nfs/dbraw/zinc/69/86/76/1025698676.db2.gz BOKAKTWKTKIWGC-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000886551724 1025700207 /nfs/dbraw/zinc/70/02/07/1025700207.db2.gz NOHIDSGTVZETKS-PCKAHOCUSA-N 2 0 300.437 3.951 20 0 DHADRP C[C@H]1C[C@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886587545 1025723825 /nfs/dbraw/zinc/72/38/25/1025723825.db2.gz AXEYEAKZOMECHJ-FKAKGIQBSA-N 2 0 308.510 3.578 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000886609387 1025736878 /nfs/dbraw/zinc/73/68/78/1025736878.db2.gz RVLSMZBZAMYBBG-UHFFFAOYSA-N 2 0 304.400 3.716 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000886611167 1025737736 /nfs/dbraw/zinc/73/77/36/1025737736.db2.gz VAAHJKUZGYDPFO-ZRZPHAQCSA-N 2 0 314.473 3.549 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccnc2Cl)CC1 ZINC000886636400 1025750953 /nfs/dbraw/zinc/75/09/53/1025750953.db2.gz NASDISBDBDGZCC-UHFFFAOYSA-N 2 0 307.869 3.622 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000886637613 1025754452 /nfs/dbraw/zinc/75/44/52/1025754452.db2.gz ASCQRIHJIWGHPK-GLKKMWKASA-N 2 0 314.473 3.552 20 0 DHADRP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000806140547 1025801127 /nfs/dbraw/zinc/80/11/27/1025801127.db2.gz YGGCIIONPLNQIQ-INIZCTEOSA-N 2 0 321.896 3.968 20 0 DHADRP CCSCC[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000355771915 1025833885 /nfs/dbraw/zinc/83/38/85/1025833885.db2.gz HRYATZXNHQIKFM-UHFFFAOYSA-N 2 0 306.519 3.761 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000152512486 1025888373 /nfs/dbraw/zinc/88/83/73/1025888373.db2.gz QGVRHUKSODMXNY-JTDSTZFVSA-N 2 0 304.478 3.540 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000356069920 1025936490 /nfs/dbraw/zinc/93/64/90/1025936490.db2.gz XBRZOLYUEOLIGY-UHFFFAOYSA-N 2 0 320.424 3.931 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccnc1 ZINC000090775326 1026088941 /nfs/dbraw/zinc/08/89/41/1026088941.db2.gz OKIVJNSEMTWPQS-IVMQYODDSA-N 2 0 301.478 3.775 20 0 DHADRP C[NH+](CCCF)Cc1cc(Cl)cc(C[N@H+](C)CCCF)c1 ZINC000887142753 1026102233 /nfs/dbraw/zinc/10/22/33/1026102233.db2.gz YQTLBYGPYFCZCF-UHFFFAOYSA-N 2 0 318.839 3.923 20 0 DHADRP COC1(C[C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000760000255 1026114428 /nfs/dbraw/zinc/11/44/28/1026114428.db2.gz PXKGDFOZKQDZBK-AOCRQIFASA-N 2 0 308.510 3.721 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1N(C)C ZINC000093941883 1026134633 /nfs/dbraw/zinc/13/46/33/1026134633.db2.gz PXVWANAZTWTYSP-INIZCTEOSA-N 2 0 311.473 3.665 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCOC1 ZINC000121634083 1026145957 /nfs/dbraw/zinc/14/59/57/1026145957.db2.gz MILUMBBCSBKTGH-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419341520 1026186227 /nfs/dbraw/zinc/18/62/27/1026186227.db2.gz YUWZBLZEFSQZFW-OALUTQOASA-N 2 0 323.569 3.549 20 0 DHADRP Cc1cccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357017618 1026277666 /nfs/dbraw/zinc/27/76/66/1026277666.db2.gz SZPOXWOOZOWTNL-SFHVURJKSA-N 2 0 315.505 3.867 20 0 DHADRP Clc1nccc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)sc21 ZINC000894171862 1026313352 /nfs/dbraw/zinc/31/33/52/1026313352.db2.gz CHOUAAGZXJNTEH-LLVKDONJSA-N 2 0 321.877 3.524 20 0 DHADRP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647796719 1026320357 /nfs/dbraw/zinc/32/03/57/1026320357.db2.gz KZAVLJQJJODAPZ-YDRHNJASSA-N 2 0 304.865 3.564 20 0 DHADRP Cc1ncccc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513506211 1026524614 /nfs/dbraw/zinc/52/46/14/1026524614.db2.gz PBPUBJDQTXUBSF-XLIONFOSSA-N 2 0 323.484 3.780 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000513679605 1026556498 /nfs/dbraw/zinc/55/64/98/1026556498.db2.gz YGQQPNCVAWQQGJ-PCCBWWKXSA-N 2 0 308.469 3.845 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccccc2)[C@H]2CCC[C@H]21 ZINC000513677914 1026557293 /nfs/dbraw/zinc/55/72/93/1026557293.db2.gz DWOVHQVNRHMSDC-FGTMMUONSA-N 2 0 304.503 3.631 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000513662764 1026559038 /nfs/dbraw/zinc/55/90/38/1026559038.db2.gz ZOESTRKHEWQXBN-SZMVWBNQSA-N 2 0 322.493 3.521 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)[C@H]2CCC[C@H]21 ZINC000513683122 1026559426 /nfs/dbraw/zinc/55/94/26/1026559426.db2.gz GSRNZYZGCJVZMW-QHAWAJNXSA-N 2 0 308.469 3.845 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@H]2CCC[C@H]21 ZINC000513664960 1026559442 /nfs/dbraw/zinc/55/94/42/1026559442.db2.gz AGVHDETYZHROJN-IXDOHACOSA-N 2 0 300.471 3.864 20 0 DHADRP CN(C)Cc1cnc(CN2CCC(C3CCCC3)CC2)s1 ZINC000809586832 1026567261 /nfs/dbraw/zinc/56/72/61/1026567261.db2.gz YWHKPGTVLXNPMX-UHFFFAOYSA-N 2 0 307.507 3.607 20 0 DHADRP c1cncc([C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CCC2)c1 ZINC000280428138 1026651860 /nfs/dbraw/zinc/65/18/60/1026651860.db2.gz BSQYSZIIHSHGCN-HXUWFJFHSA-N 2 0 313.489 3.919 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513707747 1026755030 /nfs/dbraw/zinc/75/50/30/1026755030.db2.gz IIRLWONNXXVGHQ-GUDVDZBRSA-N 2 0 316.489 3.651 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000513707750 1026755334 /nfs/dbraw/zinc/75/53/34/1026755334.db2.gz IIRLWONNXXVGHQ-QRVBRYPASA-N 2 0 316.489 3.651 20 0 DHADRP Cc1nc([C@@H](C)N2CC[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420293929 1026794581 /nfs/dbraw/zinc/79/45/81/1026794581.db2.gz NTFXXCCWOAODJU-OLZOCXBDSA-N 2 0 319.836 3.645 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](c3ccccc3C)C2)cc1 ZINC000420297780 1026797527 /nfs/dbraw/zinc/79/75/27/1026797527.db2.gz GEQDPSURDYNLAU-OALUTQOASA-N 2 0 324.468 3.535 20 0 DHADRP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000420296897 1026798351 /nfs/dbraw/zinc/79/83/51/1026798351.db2.gz CLPQYHKEBDBRGV-IRXDYDNUSA-N 2 0 316.489 3.685 20 0 DHADRP Fc1ccc(F)c(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000420297874 1026798584 /nfs/dbraw/zinc/79/85/84/1026798584.db2.gz GKTNQUUFXBACGM-CQSZACIVSA-N 2 0 308.416 3.709 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cc1 ZINC000420302057 1026799138 /nfs/dbraw/zinc/79/91/38/1026799138.db2.gz LXEWDXQHJCYCTD-LSTHTHJFSA-N 2 0 324.468 3.616 20 0 DHADRP C[C@H](c1nc2ccccc2s1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420300340 1026799315 /nfs/dbraw/zinc/79/93/15/1026799315.db2.gz KCFGSQLTTHIOIK-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP Cc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000420308029 1026800979 /nfs/dbraw/zinc/80/09/79/1026800979.db2.gz CHKLIVSCERIUBK-VQIMIIECSA-N 2 0 324.472 3.522 20 0 DHADRP c1sc(C2CCCCC2)nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338868 1026802306 /nfs/dbraw/zinc/80/23/06/1026802306.db2.gz OEFNSJOQGIOFNA-IYBDPMFKSA-N 2 0 319.518 3.622 20 0 DHADRP CC(C)(C)CCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420318472 1026803598 /nfs/dbraw/zinc/80/35/98/1026803598.db2.gz WGUBYSMUVRHGGU-OAHLLOKOSA-N 2 0 321.534 3.914 20 0 DHADRP Cc1occc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000414452439 1026806238 /nfs/dbraw/zinc/80/62/38/1026806238.db2.gz LCXARALNBFQQIN-VQTJNVASSA-N 2 0 310.441 3.542 20 0 DHADRP c1sc(C2CCCC2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335539 1026806999 /nfs/dbraw/zinc/80/69/99/1026806999.db2.gz VDHNWKBJZBKWOE-HZPDHXFCSA-N 2 0 319.518 3.622 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOc1cccc2ccccc21 ZINC000420371502 1026810250 /nfs/dbraw/zinc/81/02/50/1026810250.db2.gz WVRGXDAQARNFSC-LJQANCHMSA-N 2 0 312.457 3.586 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000420385005 1026811525 /nfs/dbraw/zinc/81/15/25/1026811525.db2.gz FAPSOJKYHAVUAT-OXQOHEQNSA-N 2 0 309.457 3.507 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000420413772 1026814070 /nfs/dbraw/zinc/81/40/70/1026814070.db2.gz SYLLQJPSHQMUQU-LBPRGKRZSA-N 2 0 300.368 3.746 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420411616 1026815789 /nfs/dbraw/zinc/81/57/89/1026815789.db2.gz RXYPXNOYDUKFBG-ROUUACIJSA-N 2 0 314.498 3.930 20 0 DHADRP Cc1cc2cc(C[N@H+](C)CC3CC[NH+](C)CC3)oc2cc1C ZINC000513726439 1026850520 /nfs/dbraw/zinc/85/05/20/1026850520.db2.gz ZSDXOPGHDGMEQS-UHFFFAOYSA-N 2 0 300.446 3.823 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000421379872 1026972160 /nfs/dbraw/zinc/97/21/60/1026972160.db2.gz XPPXMIWSHJZJTI-UHFFFAOYSA-N 2 0 306.397 3.729 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000421367975 1026966540 /nfs/dbraw/zinc/96/65/40/1026966540.db2.gz FJLNINBHLIJHOT-UHFFFAOYSA-N 2 0 301.261 3.956 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000421370261 1026967660 /nfs/dbraw/zinc/96/76/60/1026967660.db2.gz IBYLDVBZBGRLJR-UHFFFAOYSA-N 2 0 306.397 3.729 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc(C)n1 ZINC000421373722 1026967857 /nfs/dbraw/zinc/96/78/57/1026967857.db2.gz GWGATDMTMVFHFW-RXVVDRJESA-N 2 0 323.484 3.841 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000421377820 1026969600 /nfs/dbraw/zinc/96/96/00/1026969600.db2.gz SBKJYGXIBWVGCW-BKVYNOPKSA-N 2 0 315.505 3.879 20 0 DHADRP [NH3+]CCN(c1cc[nH+]c(C2CC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC001170630942 1026977804 /nfs/dbraw/zinc/97/78/04/1026977804.db2.gz RCLXLJVQZSOMMQ-UHFFFAOYSA-N 2 0 311.473 3.693 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000421392166 1026977920 /nfs/dbraw/zinc/97/79/20/1026977920.db2.gz QFVWLXJDQLSVAP-KRWDZBQOSA-N 2 0 310.445 3.588 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000421822437 1027056676 /nfs/dbraw/zinc/05/66/76/1027056676.db2.gz XACISUISHGPREK-DAXOMENPSA-N 2 0 310.844 3.627 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000421831735 1027061150 /nfs/dbraw/zinc/06/11/50/1027061150.db2.gz LTNGFIMTCZZLPD-INIZCTEOSA-N 2 0 308.510 3.721 20 0 DHADRP COc1ccc([C@H](NCCC[N@H+](C)C(C)C)C2CC2)c(F)c1 ZINC000421818745 1027064784 /nfs/dbraw/zinc/06/47/84/1027064784.db2.gz CGBIGMTWKOYXBS-GOSISDBHSA-N 2 0 308.441 3.605 20 0 DHADRP COc1ccc([C@@H](NCCC[N@H+](C)C(C)C)C2CC2)c(F)c1 ZINC000421818746 1027065155 /nfs/dbraw/zinc/06/51/55/1027065155.db2.gz CGBIGMTWKOYXBS-SFHVURJKSA-N 2 0 308.441 3.605 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C2CC2)c(F)c1 ZINC000421856922 1027068619 /nfs/dbraw/zinc/06/86/19/1027068619.db2.gz OSNKGCFYHYPXPO-IFXJQAMLSA-N 2 0 320.452 3.607 20 0 DHADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000421839032 1027071061 /nfs/dbraw/zinc/07/10/61/1027071061.db2.gz WFCYSFACEJAKFG-MRXNPFEDSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnc2ccsc2c1 ZINC000421877757 1027078391 /nfs/dbraw/zinc/07/83/91/1027078391.db2.gz MHPOICYUMZMSEE-LRVUVFPRSA-N 2 0 303.475 3.820 20 0 DHADRP COc1ccc([C@H](C)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271829313 1027154477 /nfs/dbraw/zinc/15/44/77/1027154477.db2.gz QPRINPNQPXKTAU-MRXNPFEDSA-N 2 0 304.478 3.603 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000571908216 1027157484 /nfs/dbraw/zinc/15/74/84/1027157484.db2.gz QCTUAUICAONEQR-LJQANCHMSA-N 2 0 302.462 3.516 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)c1cccc(Cl)c1 ZINC000561982347 1027158536 /nfs/dbraw/zinc/15/85/36/1027158536.db2.gz MNCHLBZWUNTZKZ-UWWQBHOKSA-N 2 0 306.881 3.860 20 0 DHADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000271844174 1027161418 /nfs/dbraw/zinc/16/14/18/1027161418.db2.gz HKWLITJNKZOIPF-MRXNPFEDSA-N 2 0 310.388 3.591 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000562017130 1027180858 /nfs/dbraw/zinc/18/08/58/1027180858.db2.gz VGMHUAGSYZFNNX-RWQQGDIJSA-N 2 0 300.490 3.921 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663545 1027190784 /nfs/dbraw/zinc/19/07/84/1027190784.db2.gz FBISSFWKCGRGNS-WMLDXEAASA-N 2 0 324.459 3.922 20 0 DHADRP C[C@H]([NH2+]C1(c2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271987662 1027197604 /nfs/dbraw/zinc/19/76/04/1027197604.db2.gz LDODTYAMZUXAJY-KRWDZBQOSA-N 2 0 324.468 3.967 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000562055604 1027201140 /nfs/dbraw/zinc/20/11/40/1027201140.db2.gz GLHDMSNCOYHDEW-AXVVYFOYSA-N 2 0 318.505 3.896 20 0 DHADRP CCC1([NH+]2CCCCC2)CCN(CCCc2cccnc2)CC1 ZINC000931684197 1027214552 /nfs/dbraw/zinc/21/45/52/1027214552.db2.gz PETPRURNAMZQKE-UHFFFAOYSA-N 2 0 315.505 3.745 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000422776755 1027318700 /nfs/dbraw/zinc/31/87/00/1027318700.db2.gz DVNKLLNHVIVPHR-BZUNDVKYSA-N 2 0 311.267 3.617 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000573512143 1027299902 /nfs/dbraw/zinc/29/99/02/1027299902.db2.gz SGZVZUMJQVAESL-AQNXPRMDSA-N 2 0 316.489 3.746 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422723247 1027308403 /nfs/dbraw/zinc/30/84/03/1027308403.db2.gz QOLSCBLYTUAPFS-MDZRGWNJSA-N 2 0 304.478 3.525 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000422758377 1027308556 /nfs/dbraw/zinc/30/85/56/1027308556.db2.gz JKANJUWYRPAPHN-PKOBYXMFSA-N 2 0 309.388 3.584 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000422747124 1027310054 /nfs/dbraw/zinc/31/00/54/1027310054.db2.gz PDZRMXASCOECDR-VXGBXAGGSA-N 2 0 303.837 3.914 20 0 DHADRP Fc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422756826 1027312703 /nfs/dbraw/zinc/31/27/03/1027312703.db2.gz CLYLRFSQRWSHGW-JQHSSLGASA-N 2 0 322.493 3.569 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422774249 1027313563 /nfs/dbraw/zinc/31/35/63/1027313563.db2.gz WGCUBEWWJQVGKF-OTWHNJEPSA-N 2 0 318.530 3.739 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422776073 1027316876 /nfs/dbraw/zinc/31/68/76/1027316876.db2.gz CBYDCGUHPVQLFS-IPMKNSEASA-N 2 0 300.490 3.783 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000422778231 1027320565 /nfs/dbraw/zinc/32/05/65/1027320565.db2.gz GXHVCUWNJJFFNA-AWEZNQCLSA-N 2 0 311.473 3.997 20 0 DHADRP Clc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422764312 1027320957 /nfs/dbraw/zinc/32/09/57/1027320957.db2.gz OGSXFKRMZZIKMX-OKZBNKHCSA-N 2 0 306.881 3.783 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422761600 1027321037 /nfs/dbraw/zinc/32/10/37/1027321037.db2.gz MZITZWXTCNCDOS-ZWKOTPCHSA-N 2 0 300.471 3.542 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422763036 1027323977 /nfs/dbraw/zinc/32/39/77/1027323977.db2.gz ITJVLXOZXSLRHT-AWEZNQCLSA-N 2 0 315.486 3.600 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422797935 1027324721 /nfs/dbraw/zinc/32/47/21/1027324721.db2.gz PDBOPTBQAMNHJZ-ZFKCKOODSA-N 2 0 322.443 3.969 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCC[NH2+]CC3)oc21 ZINC000422789957 1027329427 /nfs/dbraw/zinc/32/94/27/1027329427.db2.gz STOIISFIEGDUBV-HIFRSBDPSA-N 2 0 302.418 3.624 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422810356 1027332465 /nfs/dbraw/zinc/33/24/65/1027332465.db2.gz RQBSBDZTZDEEBK-NBYUQASBSA-N 2 0 316.489 3.583 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422832941 1027334098 /nfs/dbraw/zinc/33/40/98/1027334098.db2.gz LUYTUUPGDPDXIP-FUMNGEBKSA-N 2 0 315.505 3.722 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1OC(F)F ZINC000422832600 1027335097 /nfs/dbraw/zinc/33/50/97/1027335097.db2.gz LDGZEDKIXPIIEP-JSGCOSHPSA-N 2 0 300.393 3.846 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2SCCc3ccccc32)c2ccccc21 ZINC000422838285 1027336899 /nfs/dbraw/zinc/33/68/99/1027336899.db2.gz OALKGLJOTKBXJD-QRVBRYPASA-N 2 0 310.466 3.751 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422835640 1027338394 /nfs/dbraw/zinc/33/83/94/1027338394.db2.gz YYTTWVVITMVQJD-MLGOLLRUSA-N 2 0 312.404 3.773 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422852426 1027340534 /nfs/dbraw/zinc/34/05/34/1027340534.db2.gz ANOXBOSDGQLFRA-DLBZAZTESA-N 2 0 312.457 3.619 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000422846074 1027345101 /nfs/dbraw/zinc/34/51/01/1027345101.db2.gz DTVULLYTUYXYNZ-INIZCTEOSA-N 2 0 324.468 3.896 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422879870 1027346094 /nfs/dbraw/zinc/34/60/94/1027346094.db2.gz MYTBSLPHEOIMTJ-CVEARBPZSA-N 2 0 306.494 3.714 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000422884417 1027349390 /nfs/dbraw/zinc/34/93/90/1027349390.db2.gz WXMNXPBOJJBTFN-GYSYKLTISA-N 2 0 301.261 3.814 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000422884420 1027351631 /nfs/dbraw/zinc/35/16/31/1027351631.db2.gz WXMNXPBOJJBTFN-UHIISALHSA-N 2 0 301.261 3.814 20 0 DHADRP CC(C)COc1cccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422900967 1027354299 /nfs/dbraw/zinc/35/42/99/1027354299.db2.gz REYMCDWDJNAYJB-UXHICEINSA-N 2 0 310.441 3.956 20 0 DHADRP COc1ccc(C2(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCCCC2)cc1 ZINC000422896581 1027355241 /nfs/dbraw/zinc/35/52/41/1027355241.db2.gz AMWKCPXMJWPIHS-CVEARBPZSA-N 2 0 304.478 3.613 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(C(F)(F)F)c1 ZINC000422898218 1027355331 /nfs/dbraw/zinc/35/53/31/1027355331.db2.gz DQVBZKGBJCXQJV-LBPRGKRZSA-N 2 0 318.383 3.710 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924958675 1027356276 /nfs/dbraw/zinc/35/62/76/1027356276.db2.gz FZEQKFOHIISZAE-PKOBYXMFSA-N 2 0 317.521 3.519 20 0 DHADRP Cc1ccccc1C1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422906610 1027356722 /nfs/dbraw/zinc/35/67/22/1027356722.db2.gz VMSNVVDXDGJMFK-PXNSSMCTSA-N 2 0 308.469 3.575 20 0 DHADRP CC(C)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422905447 1027359730 /nfs/dbraw/zinc/35/97/30/1027359730.db2.gz SCRFGNOTPGNIKZ-IAQYHMDHSA-N 2 0 300.368 3.600 20 0 DHADRP C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422926816 1027360992 /nfs/dbraw/zinc/36/09/92/1027360992.db2.gz XOVMJIBDSOTDIN-BXWFABGCSA-N 2 0 301.478 3.613 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc2ccccc2o1 ZINC000422924235 1027363348 /nfs/dbraw/zinc/36/33/48/1027363348.db2.gz TWCNBYFAKSIVPC-BEFAXECRSA-N 2 0 308.425 3.523 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccc(C)cc2)cc1 ZINC000422935077 1027364741 /nfs/dbraw/zinc/36/47/41/1027364741.db2.gz KLQZJAFVJLCOOI-JXXFODFXSA-N 2 0 312.457 3.808 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OCCC(C)C ZINC000422942496 1027368331 /nfs/dbraw/zinc/36/83/31/1027368331.db2.gz KMJIFCWFUJRIBO-PMPSAXMXSA-N 2 0 322.493 3.897 20 0 DHADRP CCOc1ccc([C@@H]([NH2+][C@H](C)CCC[NH3+])c2ccccc2)cc1 ZINC000422940142 1027368450 /nfs/dbraw/zinc/36/84/50/1027368450.db2.gz ISWOURBLMXNOLH-UZLBHIALSA-N 2 0 312.457 3.892 20 0 DHADRP Cc1sc(C[NH2+][C@@H](C)CCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422940559 1027368808 /nfs/dbraw/zinc/36/88/08/1027368808.db2.gz GZZCHOGWBCUJJK-NSHDSACASA-N 2 0 323.893 3.989 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000422944596 1027374619 /nfs/dbraw/zinc/37/46/19/1027374619.db2.gz ZYOSBUVNAULDKG-XIKOKIGWSA-N 2 0 315.848 3.840 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422948254 1027374648 /nfs/dbraw/zinc/37/46/48/1027374648.db2.gz QZTYDJSKGVYVAE-ZIAGYGMSSA-N 2 0 301.261 3.786 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000422947299 1027375195 /nfs/dbraw/zinc/37/51/95/1027375195.db2.gz YDSHVXTZKABSIW-LBPRGKRZSA-N 2 0 311.267 3.545 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21)[C@@H]1CC[NH2+]C1 ZINC000422953200 1027379698 /nfs/dbraw/zinc/37/96/98/1027379698.db2.gz DOCFONJKLSRKGN-XAUMDUMWSA-N 2 0 322.452 3.765 20 0 DHADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OC ZINC000422993282 1027382066 /nfs/dbraw/zinc/38/20/66/1027382066.db2.gz FFZZQDOVEDYJFQ-MANSERQUSA-N 2 0 310.526 3.728 20 0 DHADRP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422994512 1027383374 /nfs/dbraw/zinc/38/33/74/1027383374.db2.gz HXWVNNBKAFAIIE-RUBXOHKTSA-N 2 0 314.473 3.558 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422984425 1027386569 /nfs/dbraw/zinc/38/65/69/1027386569.db2.gz AWEZKFFLFTYVMU-BPAFIMBUSA-N 2 0 308.425 3.593 20 0 DHADRP CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422999024 1027388261 /nfs/dbraw/zinc/38/82/61/1027388261.db2.gz DMHMIBGLPPIEQN-DLBZAZTESA-N 2 0 306.519 3.906 20 0 DHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423011734 1027391698 /nfs/dbraw/zinc/39/16/98/1027391698.db2.gz BLBGJFISCBXFQQ-BTINSWFASA-N 2 0 314.404 3.636 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423024133 1027393228 /nfs/dbraw/zinc/39/32/28/1027393228.db2.gz LBMRARBNAYUHHI-HOTGVXAUSA-N 2 0 310.844 3.760 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423019963 1027394852 /nfs/dbraw/zinc/39/48/52/1027394852.db2.gz YBLYGFFNFBYSIX-HUUCEWRRSA-N 2 0 313.272 3.885 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423031912 1027397454 /nfs/dbraw/zinc/39/74/54/1027397454.db2.gz DXCNGKZKAQIJOC-VWLISTAJSA-N 2 0 310.869 3.523 20 0 DHADRP COCC[C@H](N[C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccc(C)o1 ZINC000423043976 1027399646 /nfs/dbraw/zinc/39/96/46/1027399646.db2.gz QHORRZMQDXYMGL-UAGQMJEPSA-N 2 0 308.466 3.566 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1Cl ZINC000423039078 1027401302 /nfs/dbraw/zinc/40/13/02/1027401302.db2.gz PQTMTZDJNRETRQ-GFCCVEGCSA-N 2 0 303.837 3.661 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)c2ccccc21 ZINC000423064986 1027402949 /nfs/dbraw/zinc/40/29/49/1027402949.db2.gz ALWHABSODRWVSD-JKSUJKDBSA-N 2 0 318.367 3.565 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423062259 1027403346 /nfs/dbraw/zinc/40/33/46/1027403346.db2.gz SSCBHINRWXTLGZ-CYBMUJFWSA-N 2 0 314.395 3.844 20 0 DHADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000295732523 1027409973 /nfs/dbraw/zinc/40/99/73/1027409973.db2.gz OFMDZYJPQQBWOS-INIZCTEOSA-N 2 0 318.505 3.558 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423079523 1027410551 /nfs/dbraw/zinc/41/05/51/1027410551.db2.gz AMFLRHWXXSAGQC-KGLIPLIRSA-N 2 0 313.272 3.885 20 0 DHADRP CCCNc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000423079375 1027411773 /nfs/dbraw/zinc/41/17/73/1027411773.db2.gz YFNMRWXUMSZEPB-OXQOHEQNSA-N 2 0 311.473 3.557 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423087533 1027412165 /nfs/dbraw/zinc/41/21/65/1027412165.db2.gz PRIAEHVCQITWNO-JCHJZTRSSA-N 2 0 302.437 3.713 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423092049 1027414950 /nfs/dbraw/zinc/41/49/50/1027414950.db2.gz AHCIVSBRTQWEDK-NDPMZMCLSA-N 2 0 300.368 3.667 20 0 DHADRP COCCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423099237 1027415094 /nfs/dbraw/zinc/41/50/94/1027415094.db2.gz FFSZIEOLXHWVFK-OFQRWUPVSA-N 2 0 312.885 3.566 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423099848 1027418033 /nfs/dbraw/zinc/41/80/33/1027418033.db2.gz MOCHNDYIXCHAHO-GXVGGZGZSA-N 2 0 308.469 3.655 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000423117273 1027418623 /nfs/dbraw/zinc/41/86/23/1027418623.db2.gz UPQQFQHQNDSRNL-AZUAARDMSA-N 2 0 323.415 3.974 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423126924 1027421108 /nfs/dbraw/zinc/42/11/08/1027421108.db2.gz BGAUTQCLPNENBS-ARFHVFGLSA-N 2 0 314.395 3.972 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423129114 1027421331 /nfs/dbraw/zinc/42/13/31/1027421331.db2.gz DQWOGFGVBVWAIO-DZGCQCFKSA-N 2 0 302.384 3.830 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423104781 1027425743 /nfs/dbraw/zinc/42/57/43/1027425743.db2.gz YOXITRZPRINQRU-VUROTCPHSA-N 2 0 310.844 3.917 20 0 DHADRP FC1(F)CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423109067 1027429643 /nfs/dbraw/zinc/42/96/43/1027429643.db2.gz GRJKYASACIUUQY-HRCADAONSA-N 2 0 300.437 3.712 20 0 DHADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC(F)F)cc1 ZINC000295815302 1027441584 /nfs/dbraw/zinc/44/15/84/1027441584.db2.gz BJGZHYPFWUMHPZ-UCMJJCQDSA-N 2 0 324.415 3.954 20 0 DHADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(-c2ccccc2F)s1 ZINC000423181253 1027442233 /nfs/dbraw/zinc/44/22/33/1027442233.db2.gz JKBZYOSEUJNKJP-LBPRGKRZSA-N 2 0 304.434 3.957 20 0 DHADRP Fc1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423207088 1027446462 /nfs/dbraw/zinc/44/64/62/1027446462.db2.gz GOWJQIWPTOLWNO-OXJNMPFZSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]C1 ZINC000423208754 1027446514 /nfs/dbraw/zinc/44/65/14/1027446514.db2.gz DQENLLOHPVMXIG-YRNRMSPPSA-N 2 0 309.457 3.787 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423212720 1027448314 /nfs/dbraw/zinc/44/83/14/1027448314.db2.gz MEGVRDFAWPUVKL-LESCRADOSA-N 2 0 306.881 3.955 20 0 DHADRP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCCC2 ZINC000423190134 1027448859 /nfs/dbraw/zinc/44/88/59/1027448859.db2.gz RUERSBWSGYBVTM-MRXNPFEDSA-N 2 0 323.278 3.558 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423212912 1027453538 /nfs/dbraw/zinc/45/35/38/1027453538.db2.gz JELYDCHZSHHTEK-KHYOSLBOSA-N 2 0 311.473 3.831 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OCC ZINC000423238686 1027456904 /nfs/dbraw/zinc/45/69/04/1027456904.db2.gz AOZHLEYJNXPYFF-RDJZCZTQSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246822 1027458237 /nfs/dbraw/zinc/45/82/37/1027458237.db2.gz FGLXVDZLHLZTNG-OLZOCXBDSA-N 2 0 314.445 3.994 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)c2cccc(Br)c21 ZINC000423216796 1027459241 /nfs/dbraw/zinc/45/92/41/1027459241.db2.gz OXBJTQVIGQKOKK-FLRBZUCHSA-N 2 0 323.278 3.857 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423220066 1027462561 /nfs/dbraw/zinc/46/25/61/1027462561.db2.gz XVKNVLYUKJFIIO-VKCQWTKXSA-N 2 0 316.489 3.552 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CC[C@H]3CCC[NH2+]C3)oc21 ZINC000423264807 1027470483 /nfs/dbraw/zinc/47/04/83/1027470483.db2.gz ZDIKMFVVRHOBSO-LSDHHAIUSA-N 2 0 316.445 3.872 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423282396 1027479436 /nfs/dbraw/zinc/47/94/36/1027479436.db2.gz WMRJBLWKTAYWSY-VXGBXAGGSA-N 2 0 321.465 3.764 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423285005 1027481614 /nfs/dbraw/zinc/48/16/14/1027481614.db2.gz ZEWCPGZJWOYXEI-UONOGXRCSA-N 2 0 317.502 3.933 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423285008 1027482265 /nfs/dbraw/zinc/48/22/65/1027482265.db2.gz ZEWCPGZJWOYXEI-ZIAGYGMSSA-N 2 0 317.502 3.933 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423285765 1027483571 /nfs/dbraw/zinc/48/35/71/1027483571.db2.gz ZZGQZTYKENREJI-ZIAGYGMSSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423271417 1027489485 /nfs/dbraw/zinc/48/94/85/1027489485.db2.gz HKCYAJKDTXDMRK-YSSFQJQWSA-N 2 0 309.457 3.917 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423273558 1027489513 /nfs/dbraw/zinc/48/95/13/1027489513.db2.gz LCOVEWSVUFPTKI-KSSFIOAISA-N 2 0 306.881 3.640 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423269107 1027489789 /nfs/dbraw/zinc/48/97/89/1027489789.db2.gz GOKFZCGZVQQXMA-GJZGRUSLSA-N 2 0 301.478 3.669 20 0 DHADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C)ccc1OC ZINC000295926777 1027491779 /nfs/dbraw/zinc/49/17/79/1027491779.db2.gz KIHHWEFVKKRWBT-MMNRESRNSA-N 2 0 302.462 3.670 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000423318135 1027499969 /nfs/dbraw/zinc/49/99/69/1027499969.db2.gz CDLFVEUYEHLOCS-DOMZBBRYSA-N 2 0 316.367 3.626 20 0 DHADRP CCCC[C@@H](CN)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423300422 1027502768 /nfs/dbraw/zinc/50/27/68/1027502768.db2.gz ROTRTQOUTAORHS-GPJFCIFZSA-N 2 0 317.521 3.537 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423295948 1027505177 /nfs/dbraw/zinc/50/51/77/1027505177.db2.gz FXZHFDGTOPZVDZ-KCXAZCMYSA-N 2 0 314.395 3.916 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423303966 1027507449 /nfs/dbraw/zinc/50/74/49/1027507449.db2.gz XVEIJPFUFIRWSF-IRXDYDNUSA-N 2 0 304.478 3.537 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423347627 1027508209 /nfs/dbraw/zinc/50/82/09/1027508209.db2.gz QWSVWAPUVDDWPA-GOSISDBHSA-N 2 0 300.446 3.533 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1F ZINC000423359988 1027521165 /nfs/dbraw/zinc/52/11/65/1027521165.db2.gz DYJSNSMAFRHTKD-ZMLRMANQSA-N 2 0 315.230 3.509 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC[NH2+]1 ZINC000423373583 1027516567 /nfs/dbraw/zinc/51/65/67/1027516567.db2.gz HKMWAXZVNOAXMU-MOXGXCLJSA-N 2 0 312.432 3.840 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(OCc2ccccc2)cc1 ZINC000423362529 1027519770 /nfs/dbraw/zinc/51/97/70/1027519770.db2.gz BDSXHPRTOQLNJN-FIKGOQFSSA-N 2 0 324.468 3.914 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000423356644 1027521110 /nfs/dbraw/zinc/52/11/10/1027521110.db2.gz HBCMDDGPNRFTPV-MELADBBJSA-N 2 0 303.475 3.520 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423361366 1027521264 /nfs/dbraw/zinc/52/12/64/1027521264.db2.gz AFPICYDSQPQYKC-UIAACRFSSA-N 2 0 312.432 3.697 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423361365 1027521760 /nfs/dbraw/zinc/52/17/60/1027521760.db2.gz AFPICYDSQPQYKC-CDHQVMDDSA-N 2 0 312.432 3.697 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423382104 1027526248 /nfs/dbraw/zinc/52/62/48/1027526248.db2.gz DFYXTXBHYWDBAS-DAYGRLMNSA-N 2 0 313.489 3.812 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423376912 1027528062 /nfs/dbraw/zinc/52/80/62/1027528062.db2.gz JHCAGQZVDDNQGJ-HXUWFJFHSA-N 2 0 312.432 3.786 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1Cl ZINC000423389315 1027529740 /nfs/dbraw/zinc/52/97/40/1027529740.db2.gz JHZJXUZPIGBKDU-MPGHIAIKSA-N 2 0 324.896 3.784 20 0 DHADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296061224 1027531229 /nfs/dbraw/zinc/53/12/29/1027531229.db2.gz VUSMTUSNVGQJRX-RAFMOHDBSA-N 2 0 300.490 3.859 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1Cl ZINC000423388046 1027531066 /nfs/dbraw/zinc/53/10/66/1027531066.db2.gz SXJBZAGRTYKNPA-HRCADAONSA-N 2 0 324.896 3.926 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423389284 1027531737 /nfs/dbraw/zinc/53/17/37/1027531737.db2.gz JFTMKWUNGVXBDU-UIAACRFSSA-N 2 0 312.432 3.697 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423419865 1027533047 /nfs/dbraw/zinc/53/30/47/1027533047.db2.gz BEKLAOIGGKICMQ-NHYWBVRUSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Br)ccc1F ZINC000423428032 1027548058 /nfs/dbraw/zinc/54/80/58/1027548058.db2.gz IWNZTWDODIVBOC-WDEREUQCSA-N 2 0 317.246 3.756 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423394318 1027534158 /nfs/dbraw/zinc/53/41/58/1027534158.db2.gz REKAETARZCWNPF-RTWAWAEBSA-N 2 0 306.453 3.890 20 0 DHADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423420932 1027537244 /nfs/dbraw/zinc/53/72/44/1027537244.db2.gz AMYNCTHCLVFVRT-CWRNSKLLSA-N 2 0 310.844 3.908 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423404195 1027537574 /nfs/dbraw/zinc/53/75/74/1027537574.db2.gz ZAISQAQYLRULDF-YUELXQCFSA-N 2 0 312.910 3.941 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423405853 1027537720 /nfs/dbraw/zinc/53/77/20/1027537720.db2.gz UCSCZXQRDBWTBU-NDXORKPFSA-N 2 0 324.468 3.567 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426024 1027537746 /nfs/dbraw/zinc/53/77/46/1027537746.db2.gz OUMVVCWENNELPB-BZUAXINKSA-N 2 0 300.446 3.719 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423405852 1027538650 /nfs/dbraw/zinc/53/86/50/1027538650.db2.gz UCSCZXQRDBWTBU-HBGVWJBISA-N 2 0 324.468 3.567 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000423422564 1027538968 /nfs/dbraw/zinc/53/89/68/1027538968.db2.gz BKCIJTPTFHSIIX-RUZGCFLTSA-N 2 0 306.881 3.810 20 0 DHADRP COCC1(C[NH2+][C@H](c2ccccc2)C2CCCC2)CC[NH2+]CC1 ZINC000423408542 1027539991 /nfs/dbraw/zinc/53/99/91/1027539991.db2.gz OVUHAMSRXIZTHQ-LJQANCHMSA-N 2 0 316.489 3.524 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423441931 1027545050 /nfs/dbraw/zinc/54/50/50/1027545050.db2.gz BKLRWXIHTZIREE-RRFJBIMHSA-N 2 0 300.368 3.668 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)ccc2c1 ZINC000423448240 1027546116 /nfs/dbraw/zinc/54/61/16/1027546116.db2.gz USVUDCJPOZUCBX-PUCZYUMASA-N 2 0 324.468 3.887 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423450703 1027548274 /nfs/dbraw/zinc/54/82/74/1027548274.db2.gz XKJZDFUBZKXBKO-KNXALSJPSA-N 2 0 312.379 3.744 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000423433118 1027550647 /nfs/dbraw/zinc/55/06/47/1027550647.db2.gz WPMFNEOPLRGWGT-XEZPLFJOSA-N 2 0 308.466 3.717 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423437703 1027550772 /nfs/dbraw/zinc/55/07/72/1027550772.db2.gz MOMOAOIAJMZLKG-ZOCIIQOWSA-N 2 0 302.462 3.514 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423453887 1027553246 /nfs/dbraw/zinc/55/32/46/1027553246.db2.gz BHMAMNKJPJPLSM-CBYVUKHWSA-N 2 0 322.905 3.982 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000423461765 1027555202 /nfs/dbraw/zinc/55/52/02/1027555202.db2.gz CREPLYLFRMAMIY-XFJVYGCCSA-N 2 0 323.278 3.544 20 0 DHADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423478279 1027560926 /nfs/dbraw/zinc/56/09/26/1027560926.db2.gz KYZPBXLIEWWTAS-HOCLYGCPSA-N 2 0 323.278 3.558 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423484916 1027569822 /nfs/dbraw/zinc/56/98/22/1027569822.db2.gz RHRIZZKAMSFIST-KXBFYZLASA-N 2 0 311.473 3.976 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000423485636 1027570965 /nfs/dbraw/zinc/57/09/65/1027570965.db2.gz VKEQPKKPTSSMRM-DYESRHJHSA-N 2 0 323.484 3.577 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423484956 1027571974 /nfs/dbraw/zinc/57/19/74/1027571974.db2.gz RKTMOIAQTKLDEN-GHMZBOCLSA-N 2 0 317.296 3.693 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000423494986 1027573375 /nfs/dbraw/zinc/57/33/75/1027573375.db2.gz TUPAYDQKRYXATC-GUBZILKMSA-N 2 0 305.224 3.911 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537342 1027582876 /nfs/dbraw/zinc/58/28/76/1027582876.db2.gz JXALACGHTGVORA-KGLIPLIRSA-N 2 0 315.486 3.688 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc2ccccc2s1 ZINC000423541005 1027584919 /nfs/dbraw/zinc/58/49/19/1027584919.db2.gz KJYKRTAFWRUWQR-LCGIIJARSA-N 2 0 300.471 3.940 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423553945 1027585795 /nfs/dbraw/zinc/58/57/95/1027585795.db2.gz WJHFHJUHYWTGQR-CYUUQNCZSA-N 2 0 321.534 3.788 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423550184 1027585988 /nfs/dbraw/zinc/58/59/88/1027585988.db2.gz SOSXZEHELFRZGG-DSJMHWKBSA-N 2 0 322.880 3.777 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000423552437 1027586266 /nfs/dbraw/zinc/58/62/66/1027586266.db2.gz UXMDXOKHFZKGCD-FMWKFLBASA-N 2 0 324.443 3.893 20 0 DHADRP Cc1cc(N2CCC([N@H+](C)Cc3ccccc3C)CC2)nc(C)n1 ZINC000363350475 1027605091 /nfs/dbraw/zinc/60/50/91/1027605091.db2.gz YXZZRLXTQHWUGO-UHFFFAOYSA-N 2 0 324.472 3.503 20 0 DHADRP C[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000798957190 1027608623 /nfs/dbraw/zinc/60/86/23/1027608623.db2.gz YOEYKTKJNZZJAM-INIZCTEOSA-N 2 0 304.453 3.737 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000576419398 1027613611 /nfs/dbraw/zinc/61/36/11/1027613611.db2.gz QRPOZAPHDVNXIK-IIBYNOLFSA-N 2 0 324.468 3.965 20 0 DHADRP CC(C)COc1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000562854523 1027631390 /nfs/dbraw/zinc/63/13/90/1027631390.db2.gz ZQBWRUNHUOEKBX-UHFFFAOYSA-N 2 0 304.478 3.684 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000577267748 1027736717 /nfs/dbraw/zinc/73/67/17/1027736717.db2.gz BQIIJVNVRZYJPY-DOMZBBRYSA-N 2 0 304.821 3.817 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)C(C)C ZINC000364001508 1027796365 /nfs/dbraw/zinc/79/63/65/1027796365.db2.gz LOSGDUXLVHJFJS-QZTJIDSGSA-N 2 0 320.525 3.545 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(CNCc2ccncc2Cl)c1 ZINC000527645613 1027803074 /nfs/dbraw/zinc/80/30/74/1027803074.db2.gz DLJNDCHVLRGQMV-UHFFFAOYSA-N 2 0 317.864 3.865 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527652543 1027809471 /nfs/dbraw/zinc/80/94/71/1027809471.db2.gz HLXMANIPDRQMNR-LGYWMIHWSA-N 2 0 312.501 3.575 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000562960063 1027828020 /nfs/dbraw/zinc/82/80/20/1027828020.db2.gz KUNFANHWVSVWRU-QWHCGFSZSA-N 2 0 317.260 3.622 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000364657481 1027868084 /nfs/dbraw/zinc/86/80/84/1027868084.db2.gz UWZDISQIUQWSAH-BBWFWOEESA-N 2 0 302.462 3.589 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cc3ccccc3o2)CC[NH+](C)CC1 ZINC000577803333 1027933285 /nfs/dbraw/zinc/93/32/85/1027933285.db2.gz MIQPRDKHAWETRY-CQSZACIVSA-N 2 0 318.486 3.911 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000563361867 1028019271 /nfs/dbraw/zinc/01/92/71/1028019271.db2.gz SPWXZUPFZWXOFX-SFHVURJKSA-N 2 0 323.484 3.899 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c(C)c1 ZINC000528005182 1028030784 /nfs/dbraw/zinc/03/07/84/1028030784.db2.gz YNPHUZLPNHJSHY-WBVHZDCISA-N 2 0 302.462 3.671 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)C[C@@H]21 ZINC001170750686 1028082215 /nfs/dbraw/zinc/08/22/15/1028082215.db2.gz BDQLCTNNLIVMRE-BCDXTJNWSA-N 2 0 302.506 3.761 20 0 DHADRP C[C@H]([NH3+])c1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1 ZINC001170751239 1028088372 /nfs/dbraw/zinc/08/83/72/1028088372.db2.gz ARVZBMSKCXBIHE-UWJYYQICSA-N 2 0 323.484 3.825 20 0 DHADRP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578209439 1028091623 /nfs/dbraw/zinc/09/16/23/1028091623.db2.gz BKECHJHYUSOXOU-WMZOPIPTSA-N 2 0 304.478 3.987 20 0 DHADRP COCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000367035714 1028123771 /nfs/dbraw/zinc/12/37/71/1028123771.db2.gz KKUNEUBHWUZYKL-FHWLQOOXSA-N 2 0 320.452 3.510 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367058887 1028131076 /nfs/dbraw/zinc/13/10/76/1028131076.db2.gz YWXYDWKTYJUJCA-ZWKOTPCHSA-N 2 0 308.510 3.580 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000367087458 1028135021 /nfs/dbraw/zinc/13/50/21/1028135021.db2.gz PXDLYRCDLJITHK-OVWQWFNUSA-N 2 0 322.518 3.536 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1c(Cl)oc2ccccc21 ZINC000578470853 1028158230 /nfs/dbraw/zinc/15/82/30/1028158230.db2.gz VRETUOYLJHZDOR-WFASDCNBSA-N 2 0 306.837 3.858 20 0 DHADRP C[NH2+]C[C@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000578506335 1028168627 /nfs/dbraw/zinc/16/86/27/1028168627.db2.gz CWPLZEDHNMLWSB-CQSZACIVSA-N 2 0 315.288 3.857 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000578622572 1028195347 /nfs/dbraw/zinc/19/53/47/1028195347.db2.gz UTDMCDUFKJUIAS-UHFFFAOYSA-N 2 0 317.521 3.685 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000578617380 1028196920 /nfs/dbraw/zinc/19/69/20/1028196920.db2.gz JWTMJFFWDQUOJL-ZYSHUDEJSA-N 2 0 323.484 3.911 20 0 DHADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCF)[C@H]1c1cccs1 ZINC000367615131 1028216210 /nfs/dbraw/zinc/21/62/10/1028216210.db2.gz JYYBRIYRKGYZJN-ANQUJSFKSA-N 2 0 310.482 3.859 20 0 DHADRP C[C@H]([NH2+]C1CC(c2ccccn2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000368031652 1028285391 /nfs/dbraw/zinc/28/53/91/1028285391.db2.gz VLWJWGORELGMLV-VYMRPNJYSA-N 2 0 313.489 3.570 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000578977079 1028289676 /nfs/dbraw/zinc/28/96/76/1028289676.db2.gz KVIANXYTXNELJV-SHTZXODSSA-N 2 0 315.486 3.665 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2ccco2)CC1 ZINC000449063325 1028299705 /nfs/dbraw/zinc/29/97/05/1028299705.db2.gz PAAZCNOPLYBHPF-KRWDZBQOSA-N 2 0 312.457 3.507 20 0 DHADRP C[N@H+](C[C@@H]1CC12CC[NH+]([C@H]1C[C@@H]1c1ccccc1)CC2)C1CC1 ZINC000368262504 1028324236 /nfs/dbraw/zinc/32/42/36/1028324236.db2.gz YCGUQKNLNQBQGQ-SXLOBPIMSA-N 2 0 310.485 3.739 20 0 DHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000368260850 1028324453 /nfs/dbraw/zinc/32/44/53/1028324453.db2.gz NNPMURKBHQGMSH-SFTDATJTSA-N 2 0 321.468 3.786 20 0 DHADRP C(C1CC1)[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449086362 1028324233 /nfs/dbraw/zinc/32/42/33/1028324233.db2.gz COPGBRMTMSBKDS-UHFFFAOYSA-N 2 0 320.521 3.721 20 0 DHADRP c1cn(CCC[N@H+]2CC=C(c3cncc4ccccc43)CC2)cn1 ZINC000368397842 1028348968 /nfs/dbraw/zinc/34/89/68/1028348968.db2.gz ANRPEJDUOLEZAE-UHFFFAOYSA-N 2 0 318.424 3.611 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449106231 1028354817 /nfs/dbraw/zinc/35/48/17/1028354817.db2.gz LEKUXTCKWDAZRO-LRYGQEGESA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc3cccnc3o2)c1 ZINC000449092908 1028364722 /nfs/dbraw/zinc/36/47/22/1028364722.db2.gz VTPPMJMQQPVJIW-UHFFFAOYSA-N 2 0 323.440 3.959 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000579286560 1028369054 /nfs/dbraw/zinc/36/90/54/1028369054.db2.gz MPHGOGOWBFONAN-QPIRBTGLSA-N 2 0 300.490 3.892 20 0 DHADRP c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000368591638 1028379425 /nfs/dbraw/zinc/37/94/25/1028379425.db2.gz IDLJTORCLHHXQD-PWRODBHTSA-N 2 0 310.485 3.711 20 0 DHADRP C1CCC(OC2CCC([NH2+][C@@H]3CCN(C4CCCC4)C3)CC2)C1 ZINC000449130149 1028386303 /nfs/dbraw/zinc/38/63/03/1028386303.db2.gz XSBHLOHUYAXFTG-OHTSDLOESA-N 2 0 320.521 3.863 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449132739 1028388325 /nfs/dbraw/zinc/38/83/25/1028388325.db2.gz WAWXLAMFUXFZIV-AWEZNQCLSA-N 2 0 310.432 3.780 20 0 DHADRP CC(C)[C@H](O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449153614 1028404909 /nfs/dbraw/zinc/40/49/09/1028404909.db2.gz KJLVVDRSGZVQCF-QGZVFWFLSA-N 2 0 312.542 3.662 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000449173498 1028415818 /nfs/dbraw/zinc/41/58/18/1028415818.db2.gz LJCQNDQXQJLPHG-CQSZACIVSA-N 2 0 314.395 3.624 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449159710 1028421206 /nfs/dbraw/zinc/42/12/06/1028421206.db2.gz IJSJXLQDWXUEMN-UWWQBHOKSA-N 2 0 318.486 3.945 20 0 DHADRP C[C@@H](O)C[C@H](C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449165917 1028423122 /nfs/dbraw/zinc/42/31/22/1028423122.db2.gz YCHXEIAOPBELCM-JKSUJKDBSA-N 2 0 312.542 3.662 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000449184153 1028435399 /nfs/dbraw/zinc/43/53/99/1028435399.db2.gz DDEUIFGUHRTPSS-QFBILLFUSA-N 2 0 318.530 3.567 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000449214316 1028448258 /nfs/dbraw/zinc/44/82/58/1028448258.db2.gz YECJZXXQCDWHDE-QZTJIDSGSA-N 2 0 322.537 3.823 20 0 DHADRP COc1cccc2c(C[NH2+]CC3(C)CC[NH+](C)CC3)cccc12 ZINC000449230377 1028468758 /nfs/dbraw/zinc/46/87/58/1028468758.db2.gz KETZOYKCNJTVJA-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000449278073 1028503368 /nfs/dbraw/zinc/50/33/68/1028503368.db2.gz HSHAXJDNZIFWKB-UHFFFAOYSA-N 2 0 324.431 3.792 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cccc(C)c1F ZINC000449326644 1028534663 /nfs/dbraw/zinc/53/46/63/1028534663.db2.gz XWNJQZHLBSAUFJ-UHFFFAOYSA-N 2 0 303.425 3.805 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000449320786 1028553104 /nfs/dbraw/zinc/55/31/04/1028553104.db2.gz POPLVXOLJIIYII-QFBILLFUSA-N 2 0 300.490 3.860 20 0 DHADRP CC(F)(F)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000449348195 1028562013 /nfs/dbraw/zinc/56/20/13/1028562013.db2.gz BNJKUYPILCFBAN-KZNAEPCWSA-N 2 0 322.443 3.922 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000370114186 1028566693 /nfs/dbraw/zinc/56/66/93/1028566693.db2.gz XGRIFASLGOLAPU-XYCLOBBJSA-N 2 0 316.489 3.794 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000449376758 1028584830 /nfs/dbraw/zinc/58/48/30/1028584830.db2.gz PALKHVAPFZOOOT-YTENZGMBSA-N 2 0 316.464 3.767 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000449376756 1028585154 /nfs/dbraw/zinc/58/51/54/1028585154.db2.gz PALKHVAPFZOOOT-DQAKRJAASA-N 2 0 316.464 3.767 20 0 DHADRP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000815646696 1028593154 /nfs/dbraw/zinc/59/31/54/1028593154.db2.gz PQKGIDSBGTWYPL-HNNXBMFYSA-N 2 0 307.869 3.578 20 0 DHADRP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCOCC2)cc1 ZINC001170801248 1028617360 /nfs/dbraw/zinc/61/73/60/1028617360.db2.gz RYWYUBDCJFYFNH-VAMGGRTRSA-N 2 0 316.489 3.636 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000449402075 1028620300 /nfs/dbraw/zinc/62/03/00/1028620300.db2.gz JOPGKTVWJKATIP-DKKFBQAASA-N 2 0 310.526 3.680 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000449403729 1028621055 /nfs/dbraw/zinc/62/10/55/1028621055.db2.gz RHAMRNVNCODYEB-ZULIPRJHSA-N 2 0 318.505 3.548 20 0 DHADRP Cc1sc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)nc1-c1ccccc1 ZINC000370675932 1028634670 /nfs/dbraw/zinc/63/46/70/1028634670.db2.gz GTHANRZXEYMGCO-CJNGLKHVSA-N 2 0 315.486 3.691 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000449529648 1028740812 /nfs/dbraw/zinc/74/08/12/1028740812.db2.gz YQTCXPFDFGEFQT-UHFFFAOYSA-N 2 0 309.454 3.645 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Oc2ccccc2)cn1 ZINC000566555847 1028742996 /nfs/dbraw/zinc/74/29/96/1028742996.db2.gz OLKLCZHBJGVQDD-JYJNAYRXSA-N 2 0 311.429 3.652 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000449741552 1028959629 /nfs/dbraw/zinc/95/96/29/1028959629.db2.gz KWVLFWSOWDMMCA-MJGOQNOKSA-N 2 0 322.537 3.826 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449761089 1028967284 /nfs/dbraw/zinc/96/72/84/1028967284.db2.gz URBCZWJEMXDVQY-RTBURBONSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000567894871 1028968856 /nfs/dbraw/zinc/96/88/56/1028968856.db2.gz ZRZHOJJGKBBNAP-ZDUSSCGKSA-N 2 0 322.374 3.885 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628278516 1028986068 /nfs/dbraw/zinc/98/60/68/1028986068.db2.gz TTZKBLDNEWPBSG-HNNXBMFYSA-N 2 0 314.395 3.568 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000568023982 1028997056 /nfs/dbraw/zinc/99/70/56/1028997056.db2.gz ZPHDCSRDOMMXOP-MNZLEMJZSA-N 2 0 304.478 3.574 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000568249334 1029032302 /nfs/dbraw/zinc/03/23/02/1029032302.db2.gz NRMMCZQIHKBGEW-QZTJIDSGSA-N 2 0 314.498 3.933 20 0 DHADRP CSC1(C[NH2+][C@H](C)C(C)(C)c2ccccc2)CC[NH+](C)CC1 ZINC000568497338 1029081898 /nfs/dbraw/zinc/08/18/98/1029081898.db2.gz SMDGKCVJUVQBLU-MRXNPFEDSA-N 2 0 320.546 3.770 20 0 DHADRP C[N@H+](CCc1ccccn1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411412575 1029122840 /nfs/dbraw/zinc/12/28/40/1029122840.db2.gz FMLKRSCWVKLHLA-UHFFFAOYSA-N 2 0 323.484 3.742 20 0 DHADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170861687 1029124210 /nfs/dbraw/zinc/12/42/10/1029124210.db2.gz OKZMZWIGHSSOCO-BHIYHBOVSA-N 2 0 316.489 3.649 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCO1 ZINC000411520519 1029147063 /nfs/dbraw/zinc/14/70/63/1029147063.db2.gz WFNUDUKLQMMMIR-VQTJNVASSA-N 2 0 316.489 3.720 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCO1 ZINC000411520517 1029147825 /nfs/dbraw/zinc/14/78/25/1029147825.db2.gz WFNUDUKLQMMMIR-PMACEKPBSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000120424087 1029234643 /nfs/dbraw/zinc/23/46/43/1029234643.db2.gz FQKBFCXNOBFMQG-QAPCUYQASA-N 2 0 322.518 3.563 20 0 DHADRP CN(CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C1CCCC1 ZINC000374203947 1029235575 /nfs/dbraw/zinc/23/55/75/1029235575.db2.gz GQGASIRPLBAXKA-FUHWJXTLSA-N 2 0 301.478 3.572 20 0 DHADRP CC[NH+](CC)Cc1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001159679216 1029272895 /nfs/dbraw/zinc/27/28/95/1029272895.db2.gz OUHDUVXWJPLWDE-UHFFFAOYSA-N 2 0 323.484 3.960 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000817909032 1029272913 /nfs/dbraw/zinc/27/29/13/1029272913.db2.gz WMEKNAIRFSDVKZ-STQMWFEESA-N 2 0 317.864 3.784 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCC2 ZINC000817922521 1029276173 /nfs/dbraw/zinc/27/61/73/1029276173.db2.gz XPNGFHMGHJTXFL-JYYAWHABSA-N 2 0 319.518 3.729 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000817921823 1029277123 /nfs/dbraw/zinc/27/71/23/1029277123.db2.gz IVVATMRZFGBIRR-AEGPPILISA-N 2 0 307.507 3.729 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817924930 1029280465 /nfs/dbraw/zinc/28/04/65/1029280465.db2.gz MRTPFGMYQHKHCB-QHAWAJNXSA-N 2 0 324.468 3.637 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(CC[NH3+])cc3)oc21 ZINC000817947230 1029291323 /nfs/dbraw/zinc/29/13/23/1029291323.db2.gz AOEFTYNSCRJIEO-AWEZNQCLSA-N 2 0 324.424 3.793 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817961793 1029302288 /nfs/dbraw/zinc/30/22/88/1029302288.db2.gz CLFDFAKEYJBGEG-QMTHXVAHSA-N 2 0 300.418 3.563 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000817971595 1029311319 /nfs/dbraw/zinc/31/13/19/1029311319.db2.gz OJKNAKRQHFJHAY-NTZNESFSSA-N 2 0 300.418 3.792 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)nc1 ZINC000817980901 1029317456 /nfs/dbraw/zinc/31/74/56/1029317456.db2.gz FPNFOYJDUBLPKA-CZUORRHYSA-N 2 0 303.837 3.866 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000817985108 1029323711 /nfs/dbraw/zinc/32/37/11/1029323711.db2.gz AHYNAGCZLKVDCE-SJXGUFTOSA-N 2 0 322.880 3.696 20 0 DHADRP C[C@@H]([NH2+]CC/C=C\c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000629514135 1029351637 /nfs/dbraw/zinc/35/16/37/1029351637.db2.gz KYIDREBZYFTDAV-RDTVVOPLSA-N 2 0 323.278 3.583 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000629521720 1029357084 /nfs/dbraw/zinc/35/70/84/1029357084.db2.gz SCMWMDTUWQRMFJ-GOSISDBHSA-N 2 0 318.505 3.779 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000629534224 1029360754 /nfs/dbraw/zinc/36/07/54/1029360754.db2.gz QKHNHNPYARJGEL-XLIONFOSSA-N 2 0 309.457 3.507 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533254 1029361165 /nfs/dbraw/zinc/36/11/65/1029361165.db2.gz PRVGVRPREPJVAL-IRXDYDNUSA-N 2 0 315.505 3.589 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629532042 1029362532 /nfs/dbraw/zinc/36/25/32/1029362532.db2.gz JHKHZFJENCNYJL-PKOBYXMFSA-N 2 0 315.505 3.725 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551533 1029368236 /nfs/dbraw/zinc/36/82/36/1029368236.db2.gz UZHLKKMLLSFAPT-UKRRQHHQSA-N 2 0 314.395 3.657 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1C[NH+]1CCCCC1 ZINC000818355919 1029381804 /nfs/dbraw/zinc/38/18/04/1029381804.db2.gz LBKGHDOSNVFEKI-DNVCBOLYSA-N 2 0 314.473 3.884 20 0 DHADRP CCC(O)(CC)C(C)(C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000570652794 1029400185 /nfs/dbraw/zinc/40/01/85/1029400185.db2.gz VPYCFUZDBPLLBX-UHFFFAOYSA-N 2 0 310.526 3.560 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000629650183 1029404527 /nfs/dbraw/zinc/40/45/27/1029404527.db2.gz QHXKCYSXRZEKGH-FMKPAKJESA-N 2 0 308.416 3.532 20 0 DHADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629653351 1029407390 /nfs/dbraw/zinc/40/73/90/1029407390.db2.gz FFERJZYXFOCISD-IHRRRGAJSA-N 2 0 306.416 3.662 20 0 DHADRP [NH3+]C[C@H]1CN(Cc2cccc(C3CC3)c2)CC[C@@H]1C(F)(F)F ZINC000629653389 1029407698 /nfs/dbraw/zinc/40/76/98/1029407698.db2.gz GIVJOVIFZIYKKH-HOTGVXAUSA-N 2 0 312.379 3.523 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000529555610 1029411653 /nfs/dbraw/zinc/41/16/53/1029411653.db2.gz IBYKWALDPIWOHS-BBRMVZONSA-N 2 0 300.437 3.807 20 0 DHADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910437 1029412979 /nfs/dbraw/zinc/41/29/79/1029412979.db2.gz IQKGZJIKVAPNIS-JYJNAYRXSA-N 2 0 306.881 3.660 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccccc2)[C@@H](C)C1 ZINC000120875799 1029414493 /nfs/dbraw/zinc/41/44/93/1029414493.db2.gz QRMZWDZZGZSYIR-SXLOBPIMSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000529555619 1029414900 /nfs/dbraw/zinc/41/49/00/1029414900.db2.gz IBYKWALDPIWOHS-XJKSGUPXSA-N 2 0 300.437 3.807 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000529567303 1029424024 /nfs/dbraw/zinc/42/40/24/1029424024.db2.gz LSZSUTDTSDRJEP-SJKOYZFVSA-N 2 0 310.844 3.786 20 0 DHADRP O[C@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)CC1CCCC1 ZINC000818984000 1029447432 /nfs/dbraw/zinc/44/74/32/1029447432.db2.gz TVOLRSMKQPTKBV-FQEVSTJZSA-N 2 0 322.537 3.562 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450449922 1029483726 /nfs/dbraw/zinc/48/37/26/1029483726.db2.gz FXNKEKJUCQPNIQ-UHFFFAOYSA-N 2 0 308.510 3.700 20 0 DHADRP CCc1cc(CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)on1 ZINC000450751798 1029644036 /nfs/dbraw/zinc/64/40/36/1029644036.db2.gz FCEYUWBZBJKWIZ-VQIMIIECSA-N 2 0 321.509 3.660 20 0 DHADRP Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000530216409 1029785007 /nfs/dbraw/zinc/78/50/07/1029785007.db2.gz BGNVKAGYPJAJIC-LEWJYISDSA-N 2 0 323.484 3.562 20 0 DHADRP Fc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC001170960341 1029820868 /nfs/dbraw/zinc/82/08/68/1029820868.db2.gz CUFYMAMETCLBNP-KRWDZBQOSA-N 2 0 316.464 3.680 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170978390 1029948015 /nfs/dbraw/zinc/94/80/15/1029948015.db2.gz VKOCLUIFLQKNIB-KURKYZTESA-N 2 0 318.480 3.926 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCSC2)CCN1Cc1ccccc1 ZINC000865651761 1029959871 /nfs/dbraw/zinc/95/98/71/1029959871.db2.gz DLPRVSFFSXAHNG-QRQLOZEOSA-N 2 0 318.530 3.772 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000865717134 1029986347 /nfs/dbraw/zinc/98/63/47/1029986347.db2.gz QALZNGCQDFETAX-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccc3cccnc32)CC1 ZINC000865715253 1029986512 /nfs/dbraw/zinc/98/65/12/1029986512.db2.gz MRLZXVZAVLZSJW-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP c1ccc(C[NH+]2CCC(CC[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000865717657 1029987432 /nfs/dbraw/zinc/98/74/32/1029987432.db2.gz HXIUPJNYONFJEX-IBGZPJMESA-N 2 0 318.530 3.631 20 0 DHADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000470021190 1029991323 /nfs/dbraw/zinc/99/13/23/1029991323.db2.gz RTSDJQXFCUMCEG-LBPRGKRZSA-N 2 0 306.862 3.849 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C2CCCCCC2)CCO1 ZINC000865805262 1030030534 /nfs/dbraw/zinc/03/05/34/1030030534.db2.gz WUKDKTWNKTTWLQ-WDSOQIARSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000290447237 1030053146 /nfs/dbraw/zinc/05/31/46/1030053146.db2.gz MCWQAICEPCHALY-OXJNMPFZSA-N 2 0 309.457 3.521 20 0 DHADRP C[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000290501296 1030079364 /nfs/dbraw/zinc/07/93/64/1030079364.db2.gz WNJRIGLJFHXNCJ-ZDUSSCGKSA-N 2 0 312.379 3.660 20 0 DHADRP ClC1(Cl)C[C@H]1CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000822634496 1030094848 /nfs/dbraw/zinc/09/48/48/1030094848.db2.gz HJEVVXWZRORABE-ZIAGYGMSSA-N 2 0 305.293 3.521 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000530953232 1030098521 /nfs/dbraw/zinc/09/85/21/1030098521.db2.gz SCALAKCFNTXIKI-SJORKVTESA-N 2 0 314.477 3.553 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000530953229 1030100715 /nfs/dbraw/zinc/10/07/15/1030100715.db2.gz SCALAKCFNTXIKI-DLBZAZTESA-N 2 0 314.477 3.553 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924524500 1030114104 /nfs/dbraw/zinc/11/41/04/1030114104.db2.gz BOJIAOHGCJEADC-CJNGLKHVSA-N 2 0 309.885 3.822 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ncc(C)s2)CC1)CC1CC1 ZINC000357609642 1030126183 /nfs/dbraw/zinc/12/61/83/1030126183.db2.gz HEUXRASRSURILC-UHFFFAOYSA-N 2 0 321.534 3.786 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccns1 ZINC000924581768 1030128456 /nfs/dbraw/zinc/12/84/56/1030128456.db2.gz GEBKFTKWDVENFN-CQSZACIVSA-N 2 0 301.459 3.590 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)c1 ZINC000924606057 1030137256 /nfs/dbraw/zinc/13/72/56/1030137256.db2.gz AECKGRPNQPLFAG-CTNGQTDRSA-N 2 0 323.484 3.644 20 0 DHADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000924657361 1030151668 /nfs/dbraw/zinc/15/16/68/1030151668.db2.gz MCDDIZNMVALJGW-PMACEKPBSA-N 2 0 318.505 3.678 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cnn(C2CCC2)c1 ZINC000924687060 1030161058 /nfs/dbraw/zinc/16/10/58/1030161058.db2.gz NQBFPVNPHCOZKA-IAGOWNOFSA-N 2 0 318.509 3.913 20 0 DHADRP c1ccc(SC2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000924700376 1030162153 /nfs/dbraw/zinc/16/21/53/1030162153.db2.gz WKZBYTLQJZFGSV-CTMQZQKCSA-N 2 0 302.487 3.526 20 0 DHADRP c1ccc(SC2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000924700377 1030163519 /nfs/dbraw/zinc/16/35/19/1030163519.db2.gz WKZBYTLQJZFGSV-JBCIKUTRSA-N 2 0 302.487 3.526 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000866219192 1030163792 /nfs/dbraw/zinc/16/37/92/1030163792.db2.gz IPQBOLNPOBDFCF-SFHVURJKSA-N 2 0 323.484 3.788 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1 ZINC000924708056 1030167513 /nfs/dbraw/zinc/16/75/13/1030167513.db2.gz OEEXBGUNOHDKHB-DZIBYMRMSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000866234681 1030170987 /nfs/dbraw/zinc/17/09/87/1030170987.db2.gz WASDBCFOXYQWLD-MSOLQXFVSA-N 2 0 303.494 3.647 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000866233724 1030171131 /nfs/dbraw/zinc/17/11/31/1030171131.db2.gz HSLZZUCZNVSFNH-QRVBRYPASA-N 2 0 317.521 3.750 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000866234683 1030171539 /nfs/dbraw/zinc/17/15/39/1030171539.db2.gz WASDBCFOXYQWLD-ROUUACIJSA-N 2 0 303.494 3.647 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000866239528 1030173985 /nfs/dbraw/zinc/17/39/85/1030173985.db2.gz XXRBSAFOJNZEHU-AHRSYUTCSA-N 2 0 323.484 3.772 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCc3cccc(C)c32)cn1 ZINC000924725896 1030174465 /nfs/dbraw/zinc/17/44/65/1030174465.db2.gz ZTPUYZBUHQEGDP-GOSISDBHSA-N 2 0 318.424 3.661 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000866250321 1030180346 /nfs/dbraw/zinc/18/03/46/1030180346.db2.gz YLFCTKIIAKWVEZ-FQEVSTJZSA-N 2 0 311.473 3.687 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866260572 1030185658 /nfs/dbraw/zinc/18/56/58/1030185658.db2.gz VIGUOUQGSCSVRM-LBPRGKRZSA-N 2 0 321.852 3.864 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924845936 1030202259 /nfs/dbraw/zinc/20/22/59/1030202259.db2.gz JLYQCMKWIOPVMA-MRXNPFEDSA-N 2 0 318.505 3.829 20 0 DHADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000357844577 1030219393 /nfs/dbraw/zinc/21/93/93/1030219393.db2.gz FYSQMFUHAYQXAQ-SFHVURJKSA-N 2 0 304.478 3.858 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924955788 1030233235 /nfs/dbraw/zinc/23/32/35/1030233235.db2.gz QLMUVGDVCMXWTM-MRXNPFEDSA-N 2 0 318.505 3.687 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924956573 1030235367 /nfs/dbraw/zinc/23/53/67/1030235367.db2.gz IRZGDONKIBPOIR-HNNXBMFYSA-N 2 0 307.482 3.988 20 0 DHADRP C[C@@H]1CC2(CC([NH2+]CCCCCCC[NH+]3CCCC3)C2)CO1 ZINC000924958765 1030235488 /nfs/dbraw/zinc/23/54/88/1030235488.db2.gz LQACNIBBIRPGQO-LMDPOFIKSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866337987 1030236647 /nfs/dbraw/zinc/23/66/47/1030236647.db2.gz WACLFYOUKPBLOK-GFCCVEGCSA-N 2 0 321.852 3.864 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014336 1030251072 /nfs/dbraw/zinc/25/10/72/1030251072.db2.gz YPKGRURXKQJXBM-GOSISDBHSA-N 2 0 318.480 3.879 20 0 DHADRP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866368316 1030259330 /nfs/dbraw/zinc/25/93/30/1030259330.db2.gz ZXQXOAMJNYDVDV-UZXQVTOVSA-N 2 0 302.437 3.664 20 0 DHADRP CC[NH+](CC)Cc1ccccc1Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001211989107 1030295223 /nfs/dbraw/zinc/29/52/23/1030295223.db2.gz JIKYSLPPPGSXBM-UHFFFAOYSA-N 2 0 324.472 3.655 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000866451762 1030302816 /nfs/dbraw/zinc/30/28/16/1030302816.db2.gz XVQCPQYFRIAOPB-KWXGJIJISA-N 2 0 308.510 3.575 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000866467554 1030309316 /nfs/dbraw/zinc/30/93/16/1030309316.db2.gz KBAHERXXFZHDSG-MRXNPFEDSA-N 2 0 316.489 3.878 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000866506666 1030332178 /nfs/dbraw/zinc/33/21/78/1030332178.db2.gz OYUXSZOHVKDYOG-MGPQQGTHSA-N 2 0 306.416 3.818 20 0 DHADRP COC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000866516909 1030341422 /nfs/dbraw/zinc/34/14/22/1030341422.db2.gz DTRSLUJIEBGKLU-LXPRWKDFSA-N 2 0 324.896 3.880 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000866517619 1030342701 /nfs/dbraw/zinc/34/27/01/1030342701.db2.gz KIGDMGZBYKMYLN-ZCDLSOSASA-N 2 0 301.478 3.786 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823653719 1030355042 /nfs/dbraw/zinc/35/50/42/1030355042.db2.gz BSMWNEUOFLXSIA-ZDUSSCGKSA-N 2 0 313.848 3.618 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000925492432 1030375632 /nfs/dbraw/zinc/37/56/32/1030375632.db2.gz IPAAGLKWDFBYBS-PKOBYXMFSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(-c2ccncc2)cc1 ZINC000925525162 1030386636 /nfs/dbraw/zinc/38/66/36/1030386636.db2.gz ALRLBAYHXXBOHY-ZOCIIQOWSA-N 2 0 307.441 3.669 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925526481 1030388491 /nfs/dbraw/zinc/38/84/91/1030388491.db2.gz JCJOZTBJVUKNMF-HXUWFJFHSA-N 2 0 312.457 3.793 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925537527 1030392059 /nfs/dbraw/zinc/39/20/59/1030392059.db2.gz LJUKCXKHXLBROY-VQTJNVASSA-N 2 0 311.473 3.891 20 0 DHADRP CCOCc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925537131 1030392379 /nfs/dbraw/zinc/39/23/79/1030392379.db2.gz JGFIJPCDXFQLQX-FQEVSTJZSA-N 2 0 312.457 3.793 20 0 DHADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925556130 1030401100 /nfs/dbraw/zinc/40/11/00/1030401100.db2.gz KLTDBXSPADSEHX-RTBURBONSA-N 2 0 322.537 3.731 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925557032 1030402220 /nfs/dbraw/zinc/40/22/20/1030402220.db2.gz BBIPFHWUHBMRII-APWZRJJASA-N 2 0 316.489 3.891 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C12CCC2 ZINC000925584786 1030412133 /nfs/dbraw/zinc/41/21/33/1030412133.db2.gz MNQCPOWMYRMTRN-VQTJNVASSA-N 2 0 322.452 3.592 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925637495 1030429864 /nfs/dbraw/zinc/42/98/64/1030429864.db2.gz MMQZFVLJAVIBOL-INIZCTEOSA-N 2 0 322.374 3.716 20 0 DHADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925638700 1030430024 /nfs/dbraw/zinc/43/00/24/1030430024.db2.gz GEGBYAFRDIVRHB-NWANDNLSSA-N 2 0 306.498 3.503 20 0 DHADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925638699 1030430238 /nfs/dbraw/zinc/43/02/38/1030430238.db2.gz GEGBYAFRDIVRHB-CFVMTHIKSA-N 2 0 306.498 3.503 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOC2CCC2)CC1 ZINC000823956669 1030432515 /nfs/dbraw/zinc/43/25/15/1030432515.db2.gz WLNPRSPYZVEZQZ-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000925657275 1030442322 /nfs/dbraw/zinc/44/23/22/1030442322.db2.gz RUTYCXWCRZNHFH-POLLQYMGSA-N 2 0 304.865 3.692 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@H](C)O1 ZINC000925666825 1030445343 /nfs/dbraw/zinc/44/53/43/1030445343.db2.gz NSBUTAKRYLMDJE-SFNKJDCFSA-N 2 0 304.478 3.650 20 0 DHADRP COc1cccc(C2(C[NH2+][C@H](CCC[NH3+])c3ccccc3)CC2)c1 ZINC000925669069 1030447982 /nfs/dbraw/zinc/44/79/82/1030447982.db2.gz OLHLFCORJWCGTR-HXUWFJFHSA-N 2 0 324.468 3.797 20 0 DHADRP C[C@@]1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1(Cl)Cl ZINC000925682261 1030452682 /nfs/dbraw/zinc/45/26/82/1030452682.db2.gz VQUZKXTTZJTJLT-KGLIPLIRSA-N 2 0 301.261 3.640 20 0 DHADRP C[N@H+](Cc1ccccc1NC(=O)CC(C)(C)[NH3+])C1CCCCC1 ZINC000237166414 1030453141 /nfs/dbraw/zinc/45/31/41/1030453141.db2.gz SSHHBSQUQWCHNM-UHFFFAOYSA-N 2 0 317.477 3.517 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925697959 1030458357 /nfs/dbraw/zinc/45/83/57/1030458357.db2.gz QAYXEVHNSNLWKH-LJQANCHMSA-N 2 0 311.473 3.949 20 0 DHADRP C[C@@H](NCCC(C)(C)[NH3+])c1csc(-c2ccccc2F)n1 ZINC000925738224 1030471363 /nfs/dbraw/zinc/47/13/63/1030471363.db2.gz OEHPWDAADPATCE-LLVKDONJSA-N 2 0 307.438 3.727 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000558222561 1030474039 /nfs/dbraw/zinc/47/40/39/1030474039.db2.gz RAGLDUVPBCHWDV-ROUUACIJSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@H](c1ccc2ccccc2c1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925748592 1030475985 /nfs/dbraw/zinc/47/59/85/1030475985.db2.gz WOQULOIFMYFZBT-CYBMUJFWSA-N 2 0 323.465 3.874 20 0 DHADRP CC(C)C[C@H]1CCC[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000925750485 1030480198 /nfs/dbraw/zinc/48/01/98/1030480198.db2.gz GKPFPGFUDCEVLT-KGLIPLIRSA-N 2 0 307.507 3.565 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000925757456 1030483117 /nfs/dbraw/zinc/48/31/17/1030483117.db2.gz HDEQLHZPWCLRNB-MSOLQXFVSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c2ccccc21 ZINC000925778634 1030493134 /nfs/dbraw/zinc/49/31/34/1030493134.db2.gz UMJSCDBTSCSRQS-STQMWFEESA-N 2 0 322.374 3.874 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000925782887 1030494399 /nfs/dbraw/zinc/49/43/99/1030494399.db2.gz MWABUZXZZOCKQI-ZACQAIPSSA-N 2 0 308.416 3.547 20 0 DHADRP CCc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C(C)C)cc1 ZINC000925785430 1030494624 /nfs/dbraw/zinc/49/46/24/1030494624.db2.gz UKDUBKONMUDFSB-SJORKVTESA-N 2 0 310.432 3.781 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc2ccccc21 ZINC000925781455 1030496158 /nfs/dbraw/zinc/49/61/58/1030496158.db2.gz YRTYUUJDKVWDTD-HIFRSBDPSA-N 2 0 304.384 3.735 20 0 DHADRP F[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000558253814 1030498633 /nfs/dbraw/zinc/49/86/33/1030498633.db2.gz FZEKFRLHUYYUGF-NNIGNNQHSA-N 2 0 302.437 3.662 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000558258578 1030504072 /nfs/dbraw/zinc/50/40/72/1030504072.db2.gz OBCKDFBYIOJNLT-JFIYKMOQSA-N 2 0 304.478 3.650 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)c1ccccc1 ZINC000925813474 1030507080 /nfs/dbraw/zinc/50/70/80/1030507080.db2.gz SVFVMCDEKMVIRF-LJQANCHMSA-N 2 0 321.424 3.510 20 0 DHADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000925817885 1030508851 /nfs/dbraw/zinc/50/88/51/1030508851.db2.gz SPLXJBAGFJGRCU-CQSZACIVSA-N 2 0 309.885 3.946 20 0 DHADRP c1cnc2ccc(CC[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)cc2c1 ZINC000925815363 1030509781 /nfs/dbraw/zinc/50/97/81/1030509781.db2.gz XBMRQQILWQMGKA-FPOVZHCZSA-N 2 0 323.484 3.535 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558275858 1030512591 /nfs/dbraw/zinc/51/25/91/1030512591.db2.gz DJMJWEZMDJSSAZ-ZDMKNRLGSA-N 2 0 316.489 3.551 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c2ccccc21 ZINC000925838695 1030517086 /nfs/dbraw/zinc/51/70/86/1030517086.db2.gz NPPLSQOWZLKKOL-BRSBDYLESA-N 2 0 314.379 3.770 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517144 1030524911 /nfs/dbraw/zinc/52/49/11/1030524911.db2.gz PBVPHQLFIFHKNU-ZDUSSCGKSA-N 2 0 312.379 3.842 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000925881394 1030531492 /nfs/dbraw/zinc/53/14/92/1030531492.db2.gz AFQJEKUZJRRUNK-ALKREAHSSA-N 2 0 302.462 3.644 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000925887106 1030533363 /nfs/dbraw/zinc/53/33/63/1030533363.db2.gz RPQBWIUNXVHRSO-FDFHNCONSA-N 2 0 320.480 3.656 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000925887107 1030534917 /nfs/dbraw/zinc/53/49/17/1030534917.db2.gz RPQBWIUNXVHRSO-VSKRKVRLSA-N 2 0 320.480 3.656 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925882676 1030535376 /nfs/dbraw/zinc/53/53/76/1030535376.db2.gz PPCXJYPWUXDMBJ-DJABAAGCSA-N 2 0 316.489 3.827 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000926114111 1030621191 /nfs/dbraw/zinc/62/11/91/1030621191.db2.gz KCXSYLXRCILYAC-FQEVSTJZSA-N 2 0 323.484 3.801 20 0 DHADRP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246492181 1030632644 /nfs/dbraw/zinc/63/26/44/1030632644.db2.gz HEALEJZYYKXYHG-FXAWDEMLSA-N 2 0 314.473 3.534 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)N(C)C1CC1 ZINC000246904269 1030660771 /nfs/dbraw/zinc/66/07/71/1030660771.db2.gz FMTIHIUIOHSCMA-IHRRRGAJSA-N 2 0 317.502 3.861 20 0 DHADRP C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354191 1030709101 /nfs/dbraw/zinc/70/91/01/1030709101.db2.gz NTSQVLDLSZXKLN-MAUKXSAKSA-N 2 0 315.486 3.706 20 0 DHADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060708 1030714660 /nfs/dbraw/zinc/71/46/60/1030714660.db2.gz LVOHIZFOKBONNH-NHCUHLMSSA-N 2 0 321.468 3.568 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000248032493 1030715000 /nfs/dbraw/zinc/71/50/00/1030715000.db2.gz QUUPBJZLQZXSIA-MAODMQOUSA-N 2 0 321.468 3.569 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000248032476 1030716337 /nfs/dbraw/zinc/71/63/37/1030716337.db2.gz QUUPBJZLQZXSIA-CZAAIQMYSA-N 2 0 321.468 3.569 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(C[NH+](C)C)c1 ZINC000926378786 1030718914 /nfs/dbraw/zinc/71/89/14/1030718914.db2.gz PHRLADTVBHEFPE-OAHLLOKOSA-N 2 0 322.456 3.518 20 0 DHADRP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000248399836 1030739756 /nfs/dbraw/zinc/73/97/56/1030739756.db2.gz KJFHYIJFKVSMJQ-XUVXKRRUSA-N 2 0 310.441 3.670 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc2ccccc21 ZINC000926450395 1030743905 /nfs/dbraw/zinc/74/39/05/1030743905.db2.gz MEZQQTRKOQTVAS-CZUORRHYSA-N 2 0 321.424 3.780 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC000558725663 1030750744 /nfs/dbraw/zinc/75/07/44/1030750744.db2.gz VRIPVOGBBKOMBI-FHLIZLRMSA-N 2 0 324.896 3.832 20 0 DHADRP Cc1c[nH+]ccc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248663119 1030757926 /nfs/dbraw/zinc/75/79/26/1030757926.db2.gz HTVZQVRQRLUYFE-RHSMWYFYSA-N 2 0 301.459 3.947 20 0 DHADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCC[NH+]2CCCC2)nc1 ZINC000926488209 1030760693 /nfs/dbraw/zinc/76/06/93/1030760693.db2.gz WRUOKEOPUDZQFR-ICSRJNTNSA-N 2 0 315.505 3.649 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926518092 1030779217 /nfs/dbraw/zinc/77/92/17/1030779217.db2.gz HLDURJKBIDLBBH-SJLPKXTDSA-N 2 0 316.489 3.748 20 0 DHADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000926523707 1030781663 /nfs/dbraw/zinc/78/16/63/1030781663.db2.gz HGDKCJHLVFSRGD-QKLQHJQFSA-N 2 0 318.505 3.850 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1C[C@@](C)([NH3+])C1 ZINC001246459450 1030786304 /nfs/dbraw/zinc/78/63/04/1030786304.db2.gz KFKKABINKICKFO-ITDIGPHOSA-N 2 0 301.261 3.784 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926571799 1030799978 /nfs/dbraw/zinc/79/99/78/1030799978.db2.gz CMQSFEUPJWISKB-RXVVDRJESA-N 2 0 323.484 3.801 20 0 DHADRP CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncccc1Cl ZINC000926574100 1030805925 /nfs/dbraw/zinc/80/59/25/1030805925.db2.gz RZFMFLFZPLMHFM-ZBFHGGJFSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926698318 1030870651 /nfs/dbraw/zinc/87/06/51/1030870651.db2.gz ALZJWUFKUVEUCP-GKCIPKSASA-N 2 0 310.441 3.577 20 0 DHADRP C[C@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926731965 1030892101 /nfs/dbraw/zinc/89/21/01/1030892101.db2.gz NOCNTQFRWVCWFQ-FTRWYGJKSA-N 2 0 312.457 3.521 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171096567 1030908406 /nfs/dbraw/zinc/90/84/06/1030908406.db2.gz UIORZEHWDMKOCO-RDTXWAMCSA-N 2 0 306.881 3.519 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000926778851 1030921885 /nfs/dbraw/zinc/92/18/85/1030921885.db2.gz ONZLWASILPHVGQ-UXHICEINSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(F)c1F)c1cccc(C[NH+](C)C)c1 ZINC000926786836 1030924570 /nfs/dbraw/zinc/92/45/70/1030924570.db2.gz DOHUYKMTJMLGQI-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP c1coc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000252802633 1030927146 /nfs/dbraw/zinc/92/71/46/1030927146.db2.gz PJFVUULDQSPXHT-AZUAARDMSA-N 2 0 310.441 3.766 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000926797722 1030934549 /nfs/dbraw/zinc/93/45/49/1030934549.db2.gz PWMDHEKCNYRCOM-PYXOFJJQSA-N 2 0 315.505 3.645 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000926835583 1030948629 /nfs/dbraw/zinc/94/86/29/1030948629.db2.gz XGRGMVLJCRFZQP-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2c[nH]c3c2cccc3CC)CC1 ZINC000161799480 1030948812 /nfs/dbraw/zinc/94/88/12/1030948812.db2.gz XSIOOXIWOVEQKZ-UHFFFAOYSA-N 2 0 313.489 3.737 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)C2 ZINC001171105040 1030963873 /nfs/dbraw/zinc/96/38/73/1030963873.db2.gz NORNCXJSLMUCQW-GOSISDBHSA-N 2 0 318.892 3.804 20 0 DHADRP C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926894143 1030971918 /nfs/dbraw/zinc/97/19/18/1030971918.db2.gz KDMSEOXFMAOVBW-MGPUTAFESA-N 2 0 309.457 3.945 20 0 DHADRP Cc1cccc(NC2CC[NH+](CCCCCCC[NH3+])CC2)c1 ZINC000844221665 1030996212 /nfs/dbraw/zinc/99/62/12/1030996212.db2.gz RMFZDDAATNIEOF-UHFFFAOYSA-N 2 0 303.494 3.781 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[C@H]1[NH3+] ZINC000261644335 1031043400 /nfs/dbraw/zinc/04/34/00/1031043400.db2.gz ANSZNGRIYDNWBH-AUUYWEPGSA-N 2 0 314.404 3.787 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036447 1031044436 /nfs/dbraw/zinc/04/44/36/1031044436.db2.gz HEXWJCJHMZJOOR-QHGAOEGBSA-N 2 0 315.505 3.789 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc2cnccc2o1 ZINC000927038278 1031046137 /nfs/dbraw/zinc/04/61/37/1031046137.db2.gz PFDVDFIFTNMPLM-ASFAAARLSA-N 2 0 313.445 3.885 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cn1 ZINC000927037192 1031047410 /nfs/dbraw/zinc/04/74/10/1031047410.db2.gz LXCWQNDVOJTYNZ-KTAKPFMOSA-N 2 0 307.869 3.793 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000927039923 1031049143 /nfs/dbraw/zinc/04/91/43/1031049143.db2.gz XPPSATVBFVDFPZ-DMKPSLHHSA-N 2 0 302.462 3.753 20 0 DHADRP FC1(c2cccc(Cl)c2)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261703823 1031052651 /nfs/dbraw/zinc/05/26/51/1031052651.db2.gz IIIYBIJHWGOYAN-UHFFFAOYSA-N 2 0 310.844 3.600 20 0 DHADRP Cc1nc2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2s1 ZINC000262007805 1031087575 /nfs/dbraw/zinc/08/75/75/1031087575.db2.gz UTMQQXZTRIKLIV-MRXNPFEDSA-N 2 0 315.486 3.569 20 0 DHADRP CC1(C)C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000927099774 1031089219 /nfs/dbraw/zinc/08/92/19/1031089219.db2.gz OZUAPGFQFBNSDT-ZRZPHAQCSA-N 2 0 322.537 3.967 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(Cl)c2OCC)CC1 ZINC000262044192 1031091214 /nfs/dbraw/zinc/09/12/14/1031091214.db2.gz YRVOCBISMRNTMO-UHFFFAOYSA-N 2 0 310.869 3.560 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000359749992 1031123653 /nfs/dbraw/zinc/12/36/53/1031123653.db2.gz XSHMRFDIOXEADI-UHFFFAOYSA-N 2 0 308.372 3.656 20 0 DHADRP CCc1nc(C(C)C)ccc1CN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000292789594 1031177256 /nfs/dbraw/zinc/17/72/56/1031177256.db2.gz LIWLRHZTUQWAIG-INIZCTEOSA-N 2 0 303.494 3.541 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1N(C)C ZINC000658355038 1031187981 /nfs/dbraw/zinc/18/79/81/1031187981.db2.gz GWQJIGRPYAMZEY-MRXNPFEDSA-N 2 0 315.505 3.525 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000359939320 1031207178 /nfs/dbraw/zinc/20/71/78/1031207178.db2.gz BQVIISZSGFAGMJ-OTWHNJEPSA-N 2 0 302.462 3.753 20 0 DHADRP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171133352 1031211705 /nfs/dbraw/zinc/21/17/05/1031211705.db2.gz LAUJLASMFMRSJW-SFHVURJKSA-N 2 0 306.881 3.613 20 0 DHADRP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCCCO1 ZINC000347401811 1031221395 /nfs/dbraw/zinc/22/13/95/1031221395.db2.gz SGWATBOOYXILFJ-MOPGFXCFSA-N 2 0 308.510 3.534 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139269 1031242497 /nfs/dbraw/zinc/24/24/97/1031242497.db2.gz KOKZOCMFNGWNNH-AWEZNQCLSA-N 2 0 315.288 3.910 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000321612203 1031242527 /nfs/dbraw/zinc/24/25/27/1031242527.db2.gz SKXAYWYKPYEDGU-PZJWPPBQSA-N 2 0 308.469 3.902 20 0 DHADRP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000455643620 1031260189 /nfs/dbraw/zinc/26/01/89/1031260189.db2.gz UIWIRHSRJZCAIT-FQEVSTJZSA-N 2 0 312.432 3.699 20 0 DHADRP CC1([NH3+])CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171147586 1031305887 /nfs/dbraw/zinc/30/58/87/1031305887.db2.gz GZWGGLQCVHEMBC-ZDUSSCGKSA-N 2 0 313.272 3.664 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000360248550 1031345290 /nfs/dbraw/zinc/34/52/90/1031345290.db2.gz IMYVHGCBBUPCBV-IEBWSBKVSA-N 2 0 316.489 3.839 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000536652157 1031357026 /nfs/dbraw/zinc/35/70/26/1031357026.db2.gz WVTCLQLCIBYJFZ-VQTJNVASSA-N 2 0 300.490 3.842 20 0 DHADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)ccc1SC ZINC000293210497 1031378182 /nfs/dbraw/zinc/37/81/82/1031378182.db2.gz YDXGVCKFVRRYMR-UHFFFAOYSA-N 2 0 322.518 3.773 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)[C@H]1CCCOC1 ZINC000872018716 1031399994 /nfs/dbraw/zinc/39/99/94/1031399994.db2.gz PBOZUOZJGMSAKG-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)[C@@H]1CCCOC1 ZINC000872018715 1031400709 /nfs/dbraw/zinc/40/07/09/1031400709.db2.gz PBOZUOZJGMSAKG-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1N(C)C ZINC000536704152 1031407582 /nfs/dbraw/zinc/40/75/82/1031407582.db2.gz RJCDIAYDAJMXIF-ZWKOTPCHSA-N 2 0 317.521 3.915 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(O)c1F ZINC000872023835 1031407712 /nfs/dbraw/zinc/40/77/12/1031407712.db2.gz VYZUFVUFLOWAPZ-LSDHHAIUSA-N 2 0 308.441 3.837 20 0 DHADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000844926950 1031408057 /nfs/dbraw/zinc/40/80/57/1031408057.db2.gz XCPSBYSWFSIQOF-GBJTYRQASA-N 2 0 319.320 3.861 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000872032882 1031416604 /nfs/dbraw/zinc/41/66/04/1031416604.db2.gz BIPLUWMTNWGQFB-MOPGFXCFSA-N 2 0 318.505 3.822 20 0 DHADRP CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000872037785 1031421483 /nfs/dbraw/zinc/42/14/83/1031421483.db2.gz IABXOIYAJCXHQK-RTBURBONSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379650945 1031425626 /nfs/dbraw/zinc/42/56/26/1031425626.db2.gz SZWVRHNEUKLDMA-SJLPKXTDSA-N 2 0 306.519 3.771 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872040741 1031426334 /nfs/dbraw/zinc/42/63/34/1031426334.db2.gz MVYUBCGQJFSSPJ-APWZRJJASA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000379648858 1031427198 /nfs/dbraw/zinc/42/71/98/1031427198.db2.gz NGJJTZSVSZNYPS-TYCQWZJGSA-N 2 0 323.484 3.631 20 0 DHADRP Fc1ccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000191523204 1031429832 /nfs/dbraw/zinc/42/98/32/1031429832.db2.gz DTIDMBKAHJIAOO-UHFFFAOYSA-N 2 0 322.443 3.894 20 0 DHADRP CC[C@@H](C)C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000536755458 1031432887 /nfs/dbraw/zinc/43/28/87/1031432887.db2.gz GTNPNAVAPHYPJR-GOSISDBHSA-N 2 0 317.521 3.533 20 0 DHADRP Cc1cc(C)cc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000536855424 1031458112 /nfs/dbraw/zinc/45/81/12/1031458112.db2.gz AFNUXUHUQKTUQT-FHWLQOOXSA-N 2 0 318.505 3.843 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCOC1 ZINC000872069310 1031465605 /nfs/dbraw/zinc/46/56/05/1031465605.db2.gz OSUQALACHJSAHQ-WDSOQIARSA-N 2 0 308.510 3.578 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423539953 1031537446 /nfs/dbraw/zinc/53/74/46/1031537446.db2.gz PQIMQHREQRGUCN-NRFANRHFSA-N 2 0 322.452 3.684 20 0 DHADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nc1 ZINC000872156940 1031537131 /nfs/dbraw/zinc/53/71/31/1031537131.db2.gz MMEKNMXWLNPPER-LPHOPBHVSA-N 2 0 301.478 3.510 20 0 DHADRP Cc1ccc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872156446 1031537727 /nfs/dbraw/zinc/53/77/27/1031537727.db2.gz JXNGGYAVVMNMAO-APWZRJJASA-N 2 0 301.478 3.510 20 0 DHADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156078 1031537923 /nfs/dbraw/zinc/53/79/23/1031537923.db2.gz DKAABZHRPVNJCH-ZOBUZTSGSA-N 2 0 305.466 3.664 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1cc2ccccc2nc1Cl ZINC000872155137 1031538116 /nfs/dbraw/zinc/53/81/16/1031538116.db2.gz MCYCQVPZQNVEQF-UHFFFAOYSA-N 2 0 305.853 3.839 20 0 DHADRP Cc1cnccc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158091 1031540365 /nfs/dbraw/zinc/54/03/65/1031540365.db2.gz SKPIUGOEXHJQAQ-LPHOPBHVSA-N 2 0 301.478 3.510 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1)C1CCCC1 ZINC000872157497 1031541079 /nfs/dbraw/zinc/54/10/79/1031541079.db2.gz OZGAZKYVGBHEAJ-QXAKKESOSA-N 2 0 308.510 3.565 20 0 DHADRP CCc1noc(C)c1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158883 1031541127 /nfs/dbraw/zinc/54/11/27/1031541127.db2.gz YUUHHZQTQIGDQY-CRAIPNDOSA-N 2 0 319.493 3.665 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C12CCCC2 ZINC000537306112 1031562089 /nfs/dbraw/zinc/56/20/89/1031562089.db2.gz DXRYNYJUMMNEQW-IPMKNSEASA-N 2 0 322.537 3.682 20 0 DHADRP CCc1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)o1 ZINC000929840769 1031623933 /nfs/dbraw/zinc/62/39/33/1031623933.db2.gz HAXSWFBXOIZKDX-MRXNPFEDSA-N 2 0 319.493 3.714 20 0 DHADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000360922153 1031625711 /nfs/dbraw/zinc/62/57/11/1031625711.db2.gz ZHOUIAPGGCTCIX-QZWWFDLISA-N 2 0 302.437 3.678 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc3ncccc23)C1 ZINC000873014307 1031692834 /nfs/dbraw/zinc/69/28/34/1031692834.db2.gz ORBKDNPSHCAEPA-QGZVFWFLSA-N 2 0 311.473 3.837 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1 ZINC000841032024 1031724592 /nfs/dbraw/zinc/72/45/92/1031724592.db2.gz GTOSPDJZXIJNDL-UHFFFAOYSA-N 2 0 322.424 3.792 20 0 DHADRP c1ccc(CC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000036237978 1031744616 /nfs/dbraw/zinc/74/46/16/1031744616.db2.gz IPPNTNSKOLFICB-UHFFFAOYSA-N 2 0 300.490 3.817 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873211805 1031759566 /nfs/dbraw/zinc/75/95/66/1031759566.db2.gz BQPBYRPKHOOOKH-INIZCTEOSA-N 2 0 318.873 3.824 20 0 DHADRP Fc1cccc(C2([NH2+]Cc3cc4c(s3)CC[NH2+]C4)CCC2)c1 ZINC000873213781 1031760987 /nfs/dbraw/zinc/76/09/87/1031760987.db2.gz PMFUNWKPHKOCDG-UHFFFAOYSA-N 2 0 316.445 3.702 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220426 1031763924 /nfs/dbraw/zinc/76/39/24/1031763924.db2.gz OJVKVMGLTTYKQO-OLZOCXBDSA-N 2 0 314.395 3.614 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000873234381 1031766517 /nfs/dbraw/zinc/76/65/17/1031766517.db2.gz BUJPPEGHTULPMP-GJZGRUSLSA-N 2 0 312.379 3.543 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000873234382 1031767034 /nfs/dbraw/zinc/76/70/34/1031767034.db2.gz BUJPPEGHTULPMP-HUUCEWRRSA-N 2 0 312.379 3.543 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc2cccnc12 ZINC000873232559 1031767493 /nfs/dbraw/zinc/76/74/93/1031767493.db2.gz GTKQPEWPHZDBBU-LJQANCHMSA-N 2 0 323.484 3.945 20 0 DHADRP Fc1cc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cc(F)c1F ZINC000873232792 1031767735 /nfs/dbraw/zinc/76/77/35/1031767735.db2.gz MLZZXRDYAUQHSX-HNNXBMFYSA-N 2 0 312.379 3.506 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000873249684 1031772725 /nfs/dbraw/zinc/77/27/25/1031772725.db2.gz MPYQUDKPDRSHCT-MSQAHXEGSA-N 2 0 312.379 3.668 20 0 DHADRP CCC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000873254778 1031774541 /nfs/dbraw/zinc/77/45/41/1031774541.db2.gz AHKTXDXHJAJIHV-CQDKDKBSSA-N 2 0 300.368 3.874 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000873254237 1031775167 /nfs/dbraw/zinc/77/51/67/1031775167.db2.gz OGAQWNJZXWTGQF-KHQFGBGNSA-N 2 0 305.274 3.759 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873258969 1031777588 /nfs/dbraw/zinc/77/75/88/1031777588.db2.gz WZSUOIJNTREISC-BHIYHBOVSA-N 2 0 316.489 3.680 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OCc2ccccc2)cc1 ZINC000873258591 1031777829 /nfs/dbraw/zinc/77/78/29/1031777829.db2.gz SKIXQUSFLOLOOM-SZVBFZGTSA-N 2 0 310.441 3.654 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(-c2ccccc2F)s1 ZINC000873258045 1031777925 /nfs/dbraw/zinc/77/79/25/1031777925.db2.gz LMHXNFLJMVZLQK-JHJVBQTASA-N 2 0 304.434 3.942 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256020 1031777964 /nfs/dbraw/zinc/77/79/64/1031777964.db2.gz LJBWUCJRTDJLOY-NOLJZWGESA-N 2 0 315.486 3.815 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873265216 1031778682 /nfs/dbraw/zinc/77/86/82/1031778682.db2.gz LEPWGSIDPMPJGT-CHWSQXEVSA-N 2 0 312.404 3.635 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1OC(F)F ZINC000873260211 1031779053 /nfs/dbraw/zinc/77/90/53/1031779053.db2.gz VQVGYACDHGHKNO-HLPPOEQASA-N 2 0 324.415 3.859 20 0 DHADRP Cc1cc([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)ccc1F ZINC000873265774 1031779179 /nfs/dbraw/zinc/77/91/79/1031779179.db2.gz XPOOBOXTRJYGSM-CZANMRCUSA-N 2 0 302.437 3.705 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)C)cc1 ZINC000873264059 1031779550 /nfs/dbraw/zinc/77/95/50/1031779550.db2.gz NFLVDMBKBLXMRC-RUENVJTFSA-N 2 0 302.462 3.513 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCO2 ZINC000873264401 1031780447 /nfs/dbraw/zinc/78/04/47/1031780447.db2.gz OVXQZWPYIXRTLX-SFNKJDCFSA-N 2 0 314.473 3.637 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268190 1031781045 /nfs/dbraw/zinc/78/10/45/1031781045.db2.gz UBDKRGAGNNMDTF-VXGBXAGGSA-N 2 0 309.523 3.788 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CCCS2 ZINC000873270323 1031781774 /nfs/dbraw/zinc/78/17/74/1031781774.db2.gz ZPFAPKZHNRFVLA-DYVFJYSZSA-N 2 0 320.502 3.600 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873270309 1031782617 /nfs/dbraw/zinc/78/26/17/1031782617.db2.gz ZIXANSDTUQRKOA-CHWSQXEVSA-N 2 0 310.869 3.696 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)c2ccccc21 ZINC000873276712 1031783584 /nfs/dbraw/zinc/78/35/84/1031783584.db2.gz WEAVKXYMDCTNHA-HKBOAZHASA-N 2 0 321.468 3.917 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000873289640 1031789283 /nfs/dbraw/zinc/78/92/83/1031789283.db2.gz KBTAFGKMLALTOK-OXJNMPFZSA-N 2 0 324.468 3.649 20 0 DHADRP CC(C)CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccoc1 ZINC000873293631 1031793518 /nfs/dbraw/zinc/79/35/18/1031793518.db2.gz OKOVDJHGZFHRSG-ROUUACIJSA-N 2 0 320.477 3.505 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000897881959 1031868567 /nfs/dbraw/zinc/86/85/67/1031868567.db2.gz HKSKTQLSPAXLSL-HOPMXRPOSA-N 2 0 308.416 3.531 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000897971552 1031884733 /nfs/dbraw/zinc/88/47/33/1031884733.db2.gz ZMPSSYAJSKPDGN-QKLQHJQFSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000897969194 1031900131 /nfs/dbraw/zinc/90/01/31/1031900131.db2.gz GHSDDGKILIUWSB-HLIPFELVSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1cccs1 ZINC000294271258 1031910942 /nfs/dbraw/zinc/91/09/42/1031910942.db2.gz RVIPMOPUZZPTIM-OAHLLOKOSA-N 2 0 315.486 3.580 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000561476165 1031924143 /nfs/dbraw/zinc/92/41/43/1031924143.db2.gz NQAFFUMYUAOREH-UHFFFAOYSA-N 2 0 320.839 3.873 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898111191 1031949670 /nfs/dbraw/zinc/94/96/70/1031949670.db2.gz INFOHKNLCNIYRK-BHIYHBOVSA-N 2 0 320.521 3.721 20 0 DHADRP CC[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)(C)O ZINC000294539257 1032051573 /nfs/dbraw/zinc/05/15/73/1032051573.db2.gz AMVCEUXSONDCOP-ACBHZAAOSA-N 2 0 318.505 3.569 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535401 1032055802 /nfs/dbraw/zinc/05/58/02/1032055802.db2.gz SHKPJZTVMIERQH-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC001172716239 1033323356 /nfs/dbraw/zinc/32/33/56/1033323356.db2.gz PGSUFMDOLLGIMN-BVGQSLNGSA-N 2 0 306.881 3.516 20 0 DHADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000877492109 1033323488 /nfs/dbraw/zinc/32/34/88/1033323488.db2.gz RPXIGLSKCCEJQR-KKXNLOMOSA-N 2 0 316.489 3.588 20 0 DHADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000643521514 1033331735 /nfs/dbraw/zinc/33/17/35/1033331735.db2.gz NQCBQLIUTYKKML-LSDHHAIUSA-N 2 0 311.267 3.632 20 0 DHADRP Brc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643522556 1033338283 /nfs/dbraw/zinc/33/82/83/1033338283.db2.gz PGMMAMAEOCSEOV-HOTGVXAUSA-N 2 0 323.278 3.632 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172713484 1033349753 /nfs/dbraw/zinc/34/97/53/1033349753.db2.gz VITGIRUYIVWGSX-FHWLQOOXSA-N 2 0 318.892 3.789 20 0 DHADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[PH+](C(C)C)C(C)C)CC1 ZINC001172784953 1033370285 /nfs/dbraw/zinc/37/02/85/1033370285.db2.gz YDEJFWHLRHKENF-HZPDHXFCSA-N 2 0 315.438 3.997 20 0 DHADRP CC(C)C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccccn1 ZINC000477920975 1033376922 /nfs/dbraw/zinc/37/69/22/1033376922.db2.gz HBOJKSFJRGCPAZ-GOSISDBHSA-N 2 0 303.494 3.880 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(C)c(C)c2)C1 ZINC000478042115 1033394734 /nfs/dbraw/zinc/39/47/34/1033394734.db2.gz RHDAKPYKKPKEQY-IBGZPJMESA-N 2 0 318.505 3.736 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCC1CC[NH+](C)CC1 ZINC001172836646 1033400050 /nfs/dbraw/zinc/40/00/50/1033400050.db2.gz GSSCKOMREZJWIP-ZDUSSCGKSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[N@H+](C)CCC[NH+]1CCCC1 ZINC001172869232 1033408013 /nfs/dbraw/zinc/40/80/13/1033408013.db2.gz NUGSMWYLUXDFMV-CQSZACIVSA-N 2 0 312.860 3.828 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCCC[NH+](C)C ZINC001172838603 1033409454 /nfs/dbraw/zinc/40/94/54/1033409454.db2.gz YADOHGZMPWARLR-CYBMUJFWSA-N 2 0 300.849 3.732 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3cnccc31)CC2 ZINC000877684505 1033410921 /nfs/dbraw/zinc/41/09/21/1033410921.db2.gz PJAIDYIZHANZMJ-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172846566 1033417527 /nfs/dbraw/zinc/41/75/27/1033417527.db2.gz VFZRXPUVWNHBIB-CYBMUJFWSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cc2cnccc2o1 ZINC000877768478 1033441907 /nfs/dbraw/zinc/44/19/07/1033441907.db2.gz TVHCZUAJHONPAI-CQSZACIVSA-N 2 0 322.412 3.542 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC001172881720 1033456211 /nfs/dbraw/zinc/45/62/11/1033456211.db2.gz IHQDWQFKUXZEMH-ZDUSSCGKSA-N 2 0 314.926 3.998 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535770 1033472612 /nfs/dbraw/zinc/47/26/12/1033472612.db2.gz IYPSBYQQZSMQQY-MAUKXSAKSA-N 2 0 302.462 3.658 20 0 DHADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C(c1ccccc1)c1ccccc1 ZINC000643536799 1033472622 /nfs/dbraw/zinc/47/26/22/1033472622.db2.gz WOFCQRVINOEVHP-PXNSSMCTSA-N 2 0 320.480 3.939 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000643536469 1033474649 /nfs/dbraw/zinc/47/46/49/1033474649.db2.gz RIRFFXXBQSMCTP-CXAGYDPISA-N 2 0 322.880 3.920 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173039889 1033504490 /nfs/dbraw/zinc/50/44/90/1033504490.db2.gz RXXOKORMFOMONB-HDICACEKSA-N 2 0 322.537 3.683 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173045995 1033510647 /nfs/dbraw/zinc/51/06/47/1033510647.db2.gz NHXAYJJRPSPPCI-QGZVFWFLSA-N 2 0 308.510 3.567 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173044693 1033511285 /nfs/dbraw/zinc/51/12/85/1033511285.db2.gz HXTIVESXOLNCRB-UHFFFAOYSA-N 2 0 322.537 3.683 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC001173102378 1033540146 /nfs/dbraw/zinc/54/01/46/1033540146.db2.gz WMCGZOMUHNKMRZ-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC001173101948 1033540550 /nfs/dbraw/zinc/54/05/50/1033540550.db2.gz QLGXXNQBQFXVEF-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC(N2C[C@H](CC[NH3+])c3ccccc32)CC1 ZINC001173102980 1033540822 /nfs/dbraw/zinc/54/08/22/1033540822.db2.gz FMCRMMQYEWHZKD-AOCRQIFASA-N 2 0 315.505 3.592 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(CC3CCC3)CCOCC2)CC1 ZINC001173106750 1033542440 /nfs/dbraw/zinc/54/24/40/1033542440.db2.gz RIUQYFNPPIWRBF-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC001173106737 1033542821 /nfs/dbraw/zinc/54/28/21/1033542821.db2.gz CIAICUQJSASPOF-TVPLGVNVSA-N 2 0 302.462 3.501 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001173104823 1033543259 /nfs/dbraw/zinc/54/32/59/1033543259.db2.gz XALPYGLXQANWQA-BTRQGYIVSA-N 2 0 304.453 3.924 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)Cc2cccnc2)CC1 ZINC001173110269 1033545277 /nfs/dbraw/zinc/54/52/77/1033545277.db2.gz MGYIDERNWVAMFB-UHFFFAOYSA-N 2 0 303.494 3.645 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](c2cccnc2F)C2CC2)CC1 ZINC001173109897 1033546153 /nfs/dbraw/zinc/54/61/53/1033546153.db2.gz JTWYQTLUMBZRAX-HTWSVDAQSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCOc2ccccc2)CC1 ZINC001173111598 1033547500 /nfs/dbraw/zinc/54/75/00/1033547500.db2.gz HYWUVNFVEFOEPW-UHFFFAOYSA-N 2 0 304.478 3.650 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001173111399 1033547716 /nfs/dbraw/zinc/54/77/16/1033547716.db2.gz DTXFXOGZVDCUMM-NFOMZHRRSA-N 2 0 306.416 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001173111624 1033547807 /nfs/dbraw/zinc/54/78/07/1033547807.db2.gz IPGRGZJTYTVQCU-AFMYVXGZSA-N 2 0 316.489 3.793 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC3(CCC(=O)CC3)CC2)CC1 ZINC001173113114 1033547870 /nfs/dbraw/zinc/54/78/70/1033547870.db2.gz JECJEWJZNAIZMF-UHFFFAOYSA-N 2 0 320.521 3.865 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCc2cccc(F)c2)CC1 ZINC001173113257 1033548469 /nfs/dbraw/zinc/54/84/69/1033548469.db2.gz IRNWJOHEITXGJO-UHFFFAOYSA-N 2 0 306.469 3.953 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001173112532 1033548497 /nfs/dbraw/zinc/54/84/97/1033548497.db2.gz XJDSSEPZKYSUJA-LMDPOFIKSA-N 2 0 301.478 3.524 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001173111400 1033548730 /nfs/dbraw/zinc/54/87/30/1033548730.db2.gz DTXFXOGZVDCUMM-WLYUNCDWSA-N 2 0 306.416 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCc2ccccc2OC)CC1 ZINC001173114710 1033549409 /nfs/dbraw/zinc/54/94/09/1033549409.db2.gz QYRGUEUZHLWNFC-UHFFFAOYSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000152325986 1033560110 /nfs/dbraw/zinc/56/01/10/1033560110.db2.gz SHYADHJNXUDQIN-LNLFQRSKSA-N 2 0 309.457 3.643 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC001173253222 1033625623 /nfs/dbraw/zinc/62/56/23/1033625623.db2.gz REPAZASBCPHLHI-FUHIMQAGSA-N 2 0 302.506 3.888 20 0 DHADRP Cc1cc(C)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000878314222 1033654308 /nfs/dbraw/zinc/65/43/08/1033654308.db2.gz LUYRPZHQAIHRNU-UHFFFAOYSA-N 2 0 311.473 3.700 20 0 DHADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CC[C@H](CC)C2)CC1 ZINC001173285431 1033678016 /nfs/dbraw/zinc/67/80/16/1033678016.db2.gz VWOGMMIAASCTIJ-VQTJNVASSA-N 2 0 323.569 3.695 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000553463410 1033706631 /nfs/dbraw/zinc/70/66/31/1033706631.db2.gz HSNOWYDPHNBFTQ-AZUAARDMSA-N 2 0 318.505 3.530 20 0 DHADRP CC[N@@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001173367739 1033718662 /nfs/dbraw/zinc/71/86/62/1033718662.db2.gz JIFWNIJVFNLJKZ-MRXNPFEDSA-N 2 0 315.436 3.514 20 0 DHADRP CC[N@@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)C1 ZINC001173366968 1033720168 /nfs/dbraw/zinc/72/01/68/1033720168.db2.gz CNUMQOJAZDDOLY-HNNXBMFYSA-N 2 0 315.436 3.514 20 0 DHADRP COC(=O)CCCC[C@H](C)[NH2+]CC[PH+](C(C)C)C(C)C ZINC001173443437 1033744448 /nfs/dbraw/zinc/74/44/48/1033744448.db2.gz PRMYRYZZZJCTRT-HNNXBMFYSA-N 2 0 303.427 3.997 20 0 DHADRP CC[NH+](CC)CCn1cc(Nc2cc[nH+]c(C3CCC3)c2)cn1 ZINC001203255710 1033766978 /nfs/dbraw/zinc/76/69/78/1033766978.db2.gz BSLLIJHFXFUHMX-UHFFFAOYSA-N 2 0 313.449 3.631 20 0 DHADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CC[PH+](C(C)C)C(C)C)C1 ZINC001173632350 1033800023 /nfs/dbraw/zinc/80/00/23/1033800023.db2.gz LLSHUPNTNJYJHD-JKSUJKDBSA-N 2 0 315.438 3.997 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])C1CCC2(CCc3ccccc32)CC1 ZINC001173685723 1033829495 /nfs/dbraw/zinc/82/94/95/1033829495.db2.gz BJEONHAYZONLKC-UHFFFAOYSA-N 2 0 300.490 3.872 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000862366062 1033832428 /nfs/dbraw/zinc/83/24/28/1033832428.db2.gz CAWAOXHATLJVTG-UHFFFAOYSA-N 2 0 307.441 3.862 20 0 DHADRP CC[C@H]1C[C@H](C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)CCO1 ZINC000479595496 1033834117 /nfs/dbraw/zinc/83/41/17/1033834117.db2.gz VDONHDNDTYUDJV-MSOLQXFVSA-N 2 0 310.526 3.826 20 0 DHADRP CCN(Cc1scnc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058181 1033908334 /nfs/dbraw/zinc/90/83/34/1033908334.db2.gz KNQWNAYGCSCMBU-UHFFFAOYSA-N 2 0 323.893 3.880 20 0 DHADRP CCCOc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(C)c1 ZINC000667564039 1033921725 /nfs/dbraw/zinc/92/17/25/1033921725.db2.gz ZMUNADQRWCKOOV-UHFFFAOYSA-N 2 0 313.445 3.817 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000174628236 1033946777 /nfs/dbraw/zinc/94/67/77/1033946777.db2.gz LEGRLERNIHGYDP-DOMZBBRYSA-N 2 0 300.368 3.525 20 0 DHADRP C[C@@]1(CN2CCC(C)([NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000879202700 1033951554 /nfs/dbraw/zinc/95/15/54/1033951554.db2.gz NBOWFPAQQNTIPD-ZDUSSCGKSA-N 2 0 305.293 3.521 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000554078012 1033954436 /nfs/dbraw/zinc/95/44/36/1033954436.db2.gz FWZNYPLXHDOHPL-UKRRQHHQSA-N 2 0 306.416 3.818 20 0 DHADRP CCCCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000127863050 1034055394 /nfs/dbraw/zinc/05/53/94/1034055394.db2.gz PXZQMGUBGPPREB-UYAOXDASSA-N 2 0 317.521 3.534 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c2ccccc12 ZINC000480165331 1034108474 /nfs/dbraw/zinc/10/84/74/1034108474.db2.gz YYTFEIVINJBDMS-MRXNPFEDSA-N 2 0 312.457 3.985 20 0 DHADRP COc1ccc([C@@H]2CC[N@H+](CCCCCCC[NH3+])C2)cc1F ZINC000863570932 1034130846 /nfs/dbraw/zinc/13/08/46/1034130846.db2.gz MUPFNTJLPAHXHB-MRXNPFEDSA-N 2 0 308.441 3.533 20 0 DHADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000879951125 1034165404 /nfs/dbraw/zinc/16/54/04/1034165404.db2.gz HHHCVNWMTWGLIC-HNNXBMFYSA-N 2 0 300.437 3.762 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000794552269 1034173096 /nfs/dbraw/zinc/17/30/96/1034173096.db2.gz UEZPPGBLHHTOOO-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP COC1(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)CCCCC1 ZINC000480309840 1034185187 /nfs/dbraw/zinc/18/51/87/1034185187.db2.gz LNHWRWWMPSYCHY-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667656809 1034191358 /nfs/dbraw/zinc/19/13/58/1034191358.db2.gz RQXYFMNJABCBPS-QGZVFWFLSA-N 2 0 320.440 3.639 20 0 DHADRP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667671827 1034239511 /nfs/dbraw/zinc/23/95/11/1034239511.db2.gz AUWCXZKWRLQEFT-JXFKEZNVSA-N 2 0 318.424 3.645 20 0 DHADRP [NH3+][C@@H]1CCc2c3ccccc3n(C3CC[NH+](CC4CC4)CC3)c2C1 ZINC001168363011 1034257411 /nfs/dbraw/zinc/25/74/11/1034257411.db2.gz PSPUWENLHSCAFL-MRXNPFEDSA-N 2 0 323.484 3.504 20 0 DHADRP CCCOc1ccc(CN2CC[C@H](C[N@H+](C)CC)C2)c(C)c1 ZINC000667681700 1034280570 /nfs/dbraw/zinc/28/05/70/1034280570.db2.gz PBDKEVRQEUWYFW-QGZVFWFLSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000480608326 1034339441 /nfs/dbraw/zinc/33/94/41/1034339441.db2.gz HKIASROTOVRIIR-DNVCBOLYSA-N 2 0 304.453 3.915 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000480611476 1034340635 /nfs/dbraw/zinc/34/06/35/1034340635.db2.gz KUTORLVYFHSXJW-CVEARBPZSA-N 2 0 322.468 3.997 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000480608327 1034341012 /nfs/dbraw/zinc/34/10/12/1034341012.db2.gz HKIASROTOVRIIR-HNAYVOBHSA-N 2 0 304.453 3.915 20 0 DHADRP CC(C)SCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000554819819 1034343992 /nfs/dbraw/zinc/34/39/92/1034343992.db2.gz GUZFYSSXJKTBRN-UHFFFAOYSA-N 2 0 320.546 3.972 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000480666904 1034379709 /nfs/dbraw/zinc/37/97/09/1034379709.db2.gz FODIJSQFMDWOMY-FMKPAKJESA-N 2 0 314.395 3.685 20 0 DHADRP Fc1ccc(CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000480659838 1034379866 /nfs/dbraw/zinc/37/98/66/1034379866.db2.gz GMEZTWAVBMHQCF-HZPDHXFCSA-N 2 0 308.416 3.504 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000480692522 1034396051 /nfs/dbraw/zinc/39/60/51/1034396051.db2.gz AWHJVGXVKIDZMY-KBXCAEBGSA-N 2 0 310.432 3.607 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480698861 1034409027 /nfs/dbraw/zinc/40/90/27/1034409027.db2.gz NPPJNXAILRXMAL-LBTNJELSSA-N 2 0 310.432 3.606 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000480732683 1034419813 /nfs/dbraw/zinc/41/98/13/1034419813.db2.gz ZQYAXFKCJAIEQY-XMTFNYHQSA-N 2 0 318.505 3.678 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000480744936 1034435003 /nfs/dbraw/zinc/43/50/03/1034435003.db2.gz ZZJOHNOADJUYKU-AQNXPRMDSA-N 2 0 300.490 3.779 20 0 DHADRP CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC(F)(F)CC1 ZINC001168364872 1034496817 /nfs/dbraw/zinc/49/68/17/1034496817.db2.gz JJSQKVSPCXLVSI-UHFFFAOYSA-N 2 0 300.437 3.666 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)CCC2 ZINC000480913944 1034503714 /nfs/dbraw/zinc/50/37/14/1034503714.db2.gz YBVMHRZVWNUFSJ-HUUCEWRRSA-N 2 0 321.534 3.795 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)CCC2 ZINC000480913941 1034504952 /nfs/dbraw/zinc/50/49/52/1034504952.db2.gz YBVMHRZVWNUFSJ-CABCVRRESA-N 2 0 321.534 3.795 20 0 DHADRP CC(C)(C[NH2+]Cc1cccc(-c2ccccn2)c1)C[NH+]1CCCC1 ZINC000480934043 1034517718 /nfs/dbraw/zinc/51/77/18/1034517718.db2.gz JODQCDNLRTZIST-UHFFFAOYSA-N 2 0 323.484 3.960 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480969423 1034537784 /nfs/dbraw/zinc/53/77/84/1034537784.db2.gz IIIKPAXQSZPARR-ZDUSSCGKSA-N 2 0 312.404 3.623 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CCc2ccccc2)C(C)C)C1 ZINC000481016738 1034549707 /nfs/dbraw/zinc/54/97/07/1034549707.db2.gz BITXTXRVNABKRP-PMACEKPBSA-N 2 0 302.506 3.965 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000187633239 1034719410 /nfs/dbraw/zinc/71/94/10/1034719410.db2.gz QLHNOOGJQUGIKA-UHFFFAOYSA-N 2 0 304.478 3.698 20 0 DHADRP COCC[N@H+](CCC1C[C@@H](C)C[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC001175203798 1034848375 /nfs/dbraw/zinc/84/83/75/1034848375.db2.gz VGEKRVYOCWBNCQ-ROUUACIJSA-N 2 0 324.553 3.739 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000481558995 1034881711 /nfs/dbraw/zinc/88/17/11/1034881711.db2.gz DZAILPQXLPGVFZ-FQEVSTJZSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)c1 ZINC000481939292 1035036193 /nfs/dbraw/zinc/03/61/93/1035036193.db2.gz JVEZHTOFWJVFAO-HKUYNNGSSA-N 2 0 300.490 3.879 20 0 DHADRP CCCc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000482015280 1035049308 /nfs/dbraw/zinc/04/93/08/1035049308.db2.gz IWDVFMZTTGIQJS-HXUWFJFHSA-N 2 0 300.490 3.803 20 0 DHADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000482344703 1035087161 /nfs/dbraw/zinc/08/71/61/1035087161.db2.gz KBVNLZJZNMWZJQ-HXUWFJFHSA-N 2 0 302.506 3.965 20 0 DHADRP CCCc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001175718096 1035090882 /nfs/dbraw/zinc/09/08/82/1035090882.db2.gz FXNNGNXFBHEDQC-UHFFFAOYSA-N 2 0 310.445 3.530 20 0 DHADRP CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1 ZINC000668146510 1035191768 /nfs/dbraw/zinc/19/17/68/1035191768.db2.gz JBNGHVSXZNBTIZ-DFNIBXOVSA-N 2 0 316.489 3.841 20 0 DHADRP C[C@@H]1C[NH2+]CCN(Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001206269173 1035234817 /nfs/dbraw/zinc/23/48/17/1035234817.db2.gz FDZZANWFDAGCRI-CYBMUJFWSA-N 2 0 304.821 3.641 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000483208649 1035241150 /nfs/dbraw/zinc/24/11/50/1035241150.db2.gz ZBAUBTDVAHICRJ-FUHWJXTLSA-N 2 0 304.478 3.639 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(N2CCCC2)c1 ZINC000162437253 1035242845 /nfs/dbraw/zinc/24/28/45/1035242845.db2.gz BYVRAKOCCNJQDU-SFHVURJKSA-N 2 0 315.505 3.813 20 0 DHADRP CC(C)[C@H]1[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12CCCC2 ZINC000668228919 1035247094 /nfs/dbraw/zinc/24/70/94/1035247094.db2.gz UOAKFDIBSJETLE-GOSISDBHSA-N 2 0 310.445 3.668 20 0 DHADRP CCC[NH+]1CCC(NCc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000162528205 1035250001 /nfs/dbraw/zinc/25/00/01/1035250001.db2.gz BSUSGZSFZLAAHI-UHFFFAOYSA-N 2 0 318.358 3.809 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)C[C@H]1C ZINC000483282561 1035251975 /nfs/dbraw/zinc/25/19/75/1035251975.db2.gz PNPOKGBJUYOVCA-APWZRJJASA-N 2 0 316.489 3.780 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483504874 1035274615 /nfs/dbraw/zinc/27/46/15/1035274615.db2.gz LZZRMPHWPJAAIU-SFTDATJTSA-N 2 0 308.469 3.798 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001176567888 1035296635 /nfs/dbraw/zinc/29/66/35/1035296635.db2.gz SGIBYTXWHJUDTE-OALUTQOASA-N 2 0 300.490 3.986 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001176568072 1035296870 /nfs/dbraw/zinc/29/68/70/1035296870.db2.gz SGIBYTXWHJUDTE-RBUKOAKNSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000483869302 1035306570 /nfs/dbraw/zinc/30/65/70/1035306570.db2.gz YOQHAEIPJKQYTJ-WMUDQEJXSA-N 2 0 306.416 3.673 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000484309313 1035329428 /nfs/dbraw/zinc/32/94/28/1035329428.db2.gz OIZUSLGKYMBKKE-QAPCUYQASA-N 2 0 304.478 3.856 20 0 DHADRP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC001177127786 1035349459 /nfs/dbraw/zinc/34/94/59/1035349459.db2.gz NYLDDQLERUGFCX-UXHICEINSA-N 2 0 318.505 3.966 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC001177136784 1035351987 /nfs/dbraw/zinc/35/19/87/1035351987.db2.gz WQJTXTLNOHOGBJ-JYRVWZFOSA-N 2 0 324.468 3.820 20 0 DHADRP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001177143504 1035352024 /nfs/dbraw/zinc/35/20/24/1035352024.db2.gz WNXBPLMSKABQKI-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP CCC[C@@H](C[NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC001177586298 1035382468 /nfs/dbraw/zinc/38/24/68/1035382468.db2.gz BAHMNLNVGIKWQU-IBGZPJMESA-N 2 0 318.505 3.661 20 0 DHADRP CCCCN1CCCC[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001177743857 1035390516 /nfs/dbraw/zinc/39/05/16/1035390516.db2.gz OQIQGTUSAUKEFM-ZWKOTPCHSA-N 2 0 316.489 3.797 20 0 DHADRP CC[C@H](C)[C@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001177840634 1035395443 /nfs/dbraw/zinc/39/54/43/1035395443.db2.gz VCSDUJIPWUQAPP-FXAWDEMLSA-N 2 0 320.521 3.531 20 0 DHADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904383618 1035408811 /nfs/dbraw/zinc/40/88/11/1035408811.db2.gz AJQFPRWEODTBIR-QGZVFWFLSA-N 2 0 314.395 3.960 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904384201 1035409000 /nfs/dbraw/zinc/40/90/00/1035409000.db2.gz GRZZAJHCFBPVME-LBPRGKRZSA-N 2 0 300.368 3.631 20 0 DHADRP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)s2)cc1 ZINC000904411451 1035411088 /nfs/dbraw/zinc/41/10/88/1035411088.db2.gz NIMLRPWYUBGUJJ-GDBMZVCRSA-N 2 0 315.486 3.535 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001178156717 1035411482 /nfs/dbraw/zinc/41/14/82/1035411482.db2.gz BSHQYHGYMUVTKP-RCCFBDPRSA-N 2 0 312.542 3.928 20 0 DHADRP Fc1cccc(/C=C\C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001178611380 1035439550 /nfs/dbraw/zinc/43/95/50/1035439550.db2.gz YHXSPIBAQMCFTE-FMSOUQGNSA-N 2 0 324.443 3.951 20 0 DHADRP Fc1ccc(-c2cccc(Cn3ccnc3)c2)cc1C[NH2+]C1CC1 ZINC000904754840 1035447748 /nfs/dbraw/zinc/44/77/48/1035447748.db2.gz YINOOHLVFZNWHV-UHFFFAOYSA-N 2 0 321.399 3.990 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001180123563 1035605238 /nfs/dbraw/zinc/60/52/38/1035605238.db2.gz BUTDBOHBBAYTTB-UHFFFAOYSA-N 2 0 317.502 3.850 20 0 DHADRP C[C@]1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCO1 ZINC001180208930 1035619102 /nfs/dbraw/zinc/61/91/02/1035619102.db2.gz UBBYIYKMFANELD-RBUKOAKNSA-N 2 0 308.510 3.534 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191102319 1035659152 /nfs/dbraw/zinc/65/91/52/1035659152.db2.gz LOBDZFJHMPAEIZ-JKSUJKDBSA-N 2 0 308.514 3.934 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cnn1C(C)C ZINC000191293424 1035677310 /nfs/dbraw/zinc/67/73/10/1035677310.db2.gz JBMYONVELIXSPT-PBHICJAKSA-N 2 0 308.514 3.789 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cnn1C(C)C ZINC000191293472 1035677393 /nfs/dbraw/zinc/67/73/93/1035677393.db2.gz JBMYONVELIXSPT-WMLDXEAASA-N 2 0 308.514 3.789 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(CC)CC ZINC000539497114 1035756764 /nfs/dbraw/zinc/75/67/64/1035756764.db2.gz QHIKCCSZRYDPFI-RCCFBDPRSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001180801818 1035766705 /nfs/dbraw/zinc/76/67/05/1035766705.db2.gz KOUVKTFKPACCPJ-FXAWDEMLSA-N 2 0 318.505 3.558 20 0 DHADRP CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001180801091 1035767409 /nfs/dbraw/zinc/76/74/09/1035767409.db2.gz FGEWIWMYRLYCFF-VDGAXYAQSA-N 2 0 318.505 3.558 20 0 DHADRP C[NH+](C)CC[C@@H](NCc1cnc(-c2ccco2)s1)C(C)(C)C ZINC000193110237 1035834570 /nfs/dbraw/zinc/83/45/70/1035834570.db2.gz SAGMCIWGPPHRGM-OAHLLOKOSA-N 2 0 321.490 3.859 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000193250380 1035855434 /nfs/dbraw/zinc/85/54/34/1035855434.db2.gz ZUEYHJOQOJBUIR-SFHVURJKSA-N 2 0 310.526 3.538 20 0 DHADRP CC(C)CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001181371805 1035897274 /nfs/dbraw/zinc/89/72/74/1035897274.db2.gz FURMODJTIMVSSI-BGYRXZFFSA-N 2 0 300.490 3.877 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001168468828 1035918448 /nfs/dbraw/zinc/91/84/48/1035918448.db2.gz OVGYKLJOIYVQRZ-CQSZACIVSA-N 2 0 306.469 3.998 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3c(cccc3O)s2)C1 ZINC001181534522 1035934849 /nfs/dbraw/zinc/93/48/49/1035934849.db2.gz MDFKLABJRNGWIJ-XJKSGUPXSA-N 2 0 316.470 3.523 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)CCc1ccc(F)cc1Cl ZINC001181515716 1035938194 /nfs/dbraw/zinc/93/81/94/1035938194.db2.gz WVPOBHSBTSFLSP-UHFFFAOYSA-N 2 0 300.849 3.685 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000540223120 1036017508 /nfs/dbraw/zinc/01/75/08/1036017508.db2.gz ZYPHJTUQFYFRIC-ZRGWGRIASA-N 2 0 316.489 3.792 20 0 DHADRP Cc1cc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261982 1036025867 /nfs/dbraw/zinc/02/58/67/1036025867.db2.gz UPIQQPCPEPXDJC-KUHUBIRLSA-N 2 0 302.437 3.659 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CS1 ZINC000754141494 1036026235 /nfs/dbraw/zinc/02/62/35/1036026235.db2.gz DVHQDGBJGIMVTG-GPQLOAJWSA-N 2 0 310.551 3.903 20 0 DHADRP C[C@@]1(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCS1 ZINC000327641098 1036039574 /nfs/dbraw/zinc/03/95/74/1036039574.db2.gz RGVHXBPTNUJSSW-MOPGFXCFSA-N 2 0 318.530 3.774 20 0 DHADRP CCCC[NH+](CCCC)CCCOC1CC[NH+](CCF)CC1 ZINC001224755494 1036044366 /nfs/dbraw/zinc/04/43/66/1036044366.db2.gz NSIFEZKGRZGCLN-UHFFFAOYSA-N 2 0 316.505 3.729 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000194857791 1036054841 /nfs/dbraw/zinc/05/48/41/1036054841.db2.gz WXPARSXGBCRIOI-IBGZPJMESA-N 2 0 314.473 3.537 20 0 DHADRP COc1ccc([C@@H](C)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000540505298 1036083580 /nfs/dbraw/zinc/08/35/80/1036083580.db2.gz RLUGZUSMUYMGOS-KRWDZBQOSA-N 2 0 318.505 3.853 20 0 DHADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001182250085 1036148388 /nfs/dbraw/zinc/14/83/88/1036148388.db2.gz IHSAWOMGPISCPG-ZWKOTPCHSA-N 2 0 314.517 3.818 20 0 DHADRP FC(F)(F)C1CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000774380805 1036306158 /nfs/dbraw/zinc/30/61/58/1036306158.db2.gz UKVCOGVOKPLCQE-SSDMNJCBSA-N 2 0 304.400 3.714 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)[C@H](c2ccccc2)C1 ZINC001182544954 1036381739 /nfs/dbraw/zinc/38/17/39/1036381739.db2.gz SXHXRCUIBSJPMT-CBPXPLCBSA-N 2 0 320.480 3.725 20 0 DHADRP CN(C)Cc1cnc(CN2CCCC[C@H]2c2ccccc2)s1 ZINC000348256960 1036395458 /nfs/dbraw/zinc/39/54/58/1036395458.db2.gz YRRUDNXRWZBSJU-KRWDZBQOSA-N 2 0 315.486 3.932 20 0 DHADRP C[NH+](C)C[C@@H]1CCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000541908783 1036455363 /nfs/dbraw/zinc/45/53/63/1036455363.db2.gz XAGJBYVRBHOYEO-HNNXBMFYSA-N 2 0 318.461 3.938 20 0 DHADRP C[C@@H]1CC(C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)C[C@@H](C)C1 ZINC001182817153 1036464221 /nfs/dbraw/zinc/46/42/21/1036464221.db2.gz RERWLTDTBTZOKB-BEEJXANESA-N 2 0 322.537 3.682 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]1CCSC1 ZINC000486939164 1036476305 /nfs/dbraw/zinc/47/63/05/1036476305.db2.gz JKFGGZJQOJUSFZ-DLBZAZTESA-N 2 0 318.530 3.904 20 0 DHADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC001182901315 1036481324 /nfs/dbraw/zinc/48/13/24/1036481324.db2.gz AYJNBTVNQLIJCU-YSIASYRMSA-N 2 0 300.490 3.953 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC1(C)C ZINC000486972393 1036502616 /nfs/dbraw/zinc/50/26/16/1036502616.db2.gz PABPAHVEGZHUOL-YOEHRIQHSA-N 2 0 306.519 3.984 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001183045657 1036507701 /nfs/dbraw/zinc/50/77/01/1036507701.db2.gz LUFWTXNBKWHTFS-QGZVFWFLSA-N 2 0 322.443 3.876 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001196631457 1036583489 /nfs/dbraw/zinc/58/34/89/1036583489.db2.gz GBEJTHTXUHCAGO-FSPWUOQZSA-N 2 0 324.415 3.623 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)c1ccsc1)c1ccsc1 ZINC000669937102 1036627801 /nfs/dbraw/zinc/62/78/01/1036627801.db2.gz HRYKJJVATNXURL-OKILXGFUSA-N 2 0 324.515 3.828 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487274980 1036634070 /nfs/dbraw/zinc/63/40/70/1036634070.db2.gz PAJKKGXANSEYKL-PXEQJPNCSA-N 2 0 301.478 3.585 20 0 DHADRP C[C@@H]([NH2+]C/C=C/c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000495432999 1036635690 /nfs/dbraw/zinc/63/56/90/1036635690.db2.gz MJUHEWISNHZFOA-VEGGFIAOSA-N 2 0 324.468 3.991 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280732 1036656355 /nfs/dbraw/zinc/65/63/55/1036656355.db2.gz HHYBGVZXQXDLKW-OAHLLOKOSA-N 2 0 300.368 3.717 20 0 DHADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]C/C=C\c1ccncc1 ZINC000487554022 1036673818 /nfs/dbraw/zinc/67/38/18/1036673818.db2.gz QYADTRUVKMCEDV-FPLPWBNLSA-N 2 0 301.478 3.729 20 0 DHADRP CC(C)C[N@H+](CCO[C@H]1CCCC[C@H]1C)CC1CC[NH+](C)CC1 ZINC001197194707 1036707518 /nfs/dbraw/zinc/70/75/18/1036707518.db2.gz SULNNBLEUWEILK-QUCCMNQESA-N 2 0 324.553 3.882 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC001184053645 1036735404 /nfs/dbraw/zinc/73/54/04/1036735404.db2.gz BZLYAGOLVXNDTQ-XFWGSAIBSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@H]([NH2+]CCSC(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000089516426 1036751209 /nfs/dbraw/zinc/75/12/09/1036751209.db2.gz CFWJUZHKZVTYAE-HNNXBMFYSA-N 2 0 324.534 3.809 20 0 DHADRP C[C@@H](CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000668819660 1036832089 /nfs/dbraw/zinc/83/20/89/1036832089.db2.gz POBKJFITWIXMBQ-HKUYNNGSSA-N 2 0 300.490 3.892 20 0 DHADRP CC(C)CSCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492602033 1036942893 /nfs/dbraw/zinc/94/28/93/1036942893.db2.gz NLCFWZKROXCHHC-IEBWSBKVSA-N 2 0 320.546 3.876 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000236781063 1036978258 /nfs/dbraw/zinc/97/82/58/1036978258.db2.gz WZNHWZZTMSFEQA-MRXNPFEDSA-N 2 0 304.478 3.999 20 0 DHADRP Clc1ccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000488417965 1037000615 /nfs/dbraw/zinc/00/06/15/1037000615.db2.gz HGKLKRYJYGSPEJ-UHFFFAOYSA-N 2 0 322.880 3.527 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)cc1F ZINC000488423682 1037005408 /nfs/dbraw/zinc/00/54/08/1037005408.db2.gz BGAHHXSAZHKDQL-WBVHZDCISA-N 2 0 324.509 3.897 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]CCCN2CCc3ccccc3C2)CS1 ZINC000488431118 1037013956 /nfs/dbraw/zinc/01/39/56/1037013956.db2.gz FXEIGJVZNHAFFN-RBUKOAKNSA-N 2 0 318.530 3.555 20 0 DHADRP CCC1(C[NH2+]C[C@@H]2C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000488444787 1037014391 /nfs/dbraw/zinc/01/43/91/1037014391.db2.gz WIDJYHRBQLQUCL-MJGOQNOKSA-N 2 0 300.490 3.924 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488446242 1037030426 /nfs/dbraw/zinc/03/04/26/1037030426.db2.gz JXHSTUCKGJBLAE-SJLPKXTDSA-N 2 0 310.551 3.903 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)Cc1ccc(F)cc1C ZINC000488544109 1037067503 /nfs/dbraw/zinc/06/75/03/1037067503.db2.gz LLYAMUOIAAAULN-UHFFFAOYSA-N 2 0 324.403 3.655 20 0 DHADRP Cc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c2ccccc2[nH+]1 ZINC000488724250 1037113789 /nfs/dbraw/zinc/11/37/89/1037113789.db2.gz XZCLIUYBXWVWAO-HNNXBMFYSA-N 2 0 309.457 3.854 20 0 DHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccnc3cc(F)ccc32)C[C@@H](C)C1 ZINC000488719261 1037118191 /nfs/dbraw/zinc/11/81/91/1037118191.db2.gz NWWBGYCVUNXQTL-TYILLQQXSA-N 2 0 313.420 3.540 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001199295683 1037235539 /nfs/dbraw/zinc/23/55/39/1037235539.db2.gz LHYZUJWPUUBFQZ-FXAWDEMLSA-N 2 0 318.505 3.822 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001199295686 1037236064 /nfs/dbraw/zinc/23/60/64/1037236064.db2.gz LHYZUJWPUUBFQZ-YLJYHZDGSA-N 2 0 318.505 3.822 20 0 DHADRP CC[N@H+](Cc1cccc(SC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235759904 1037259622 /nfs/dbraw/zinc/25/96/22/1037259622.db2.gz FFFHDIZQKJYGLR-UHFFFAOYSA-N 2 0 318.408 3.872 20 0 DHADRP Fc1ccc2c(c1)[C@H](N1CC[C@H](C[NH+]3CCCCC3)C1)CC2 ZINC000177815365 1037269458 /nfs/dbraw/zinc/26/94/58/1037269458.db2.gz XSIXIEKXXCGNFW-DNVCBOLYSA-N 2 0 302.437 3.621 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001168455657 1037344616 /nfs/dbraw/zinc/34/46/16/1037344616.db2.gz HOTBYEUWZBGQEB-IXDOHACOSA-N 2 0 306.469 3.714 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC001199830682 1037347944 /nfs/dbraw/zinc/34/79/44/1037347944.db2.gz PZURCYOYQXZOEC-UHFFFAOYSA-N 2 0 323.428 3.764 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC001199923735 1037373075 /nfs/dbraw/zinc/37/30/75/1037373075.db2.gz AGZBSDNZVXNTFM-WOJBJXKFSA-N 2 0 322.537 3.824 20 0 DHADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@H]3CCC=CO3)c2)CC1 ZINC000775013825 1037394833 /nfs/dbraw/zinc/39/48/33/1037394833.db2.gz QDQWVNXDEWEPRH-HXUWFJFHSA-N 2 0 314.473 3.701 20 0 DHADRP Cc1ccc(C2CC([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658355901 1037486351 /nfs/dbraw/zinc/48/63/51/1037486351.db2.gz LNPIVGVOHPLAIQ-UHFFFAOYSA-N 2 0 312.501 3.953 20 0 DHADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC001205912706 1037540366 /nfs/dbraw/zinc/54/03/66/1037540366.db2.gz BSUDXEWRLZDBBN-YPMHNXCESA-N 2 0 318.408 3.858 20 0 DHADRP C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914163 1037578210 /nfs/dbraw/zinc/57/82/10/1037578210.db2.gz LHFHELSJPQMATD-VHSXEESVSA-N 2 0 322.321 3.543 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000493881484 1037578508 /nfs/dbraw/zinc/57/85/08/1037578508.db2.gz DOQQJLRISMHYDM-IEBWSBKVSA-N 2 0 316.489 3.624 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493883639 1037584207 /nfs/dbraw/zinc/58/42/07/1037584207.db2.gz QMXQBJLIOQQMOA-ZSYWTGECSA-N 2 0 320.521 3.578 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000493945416 1037604985 /nfs/dbraw/zinc/60/49/85/1037604985.db2.gz QYLABNCHMNPCMG-AOIWGVFYSA-N 2 0 304.478 3.617 20 0 DHADRP Cc1nc2ccc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)cc2s1 ZINC000494078734 1037642756 /nfs/dbraw/zinc/64/27/56/1037642756.db2.gz LPBVKZSCQCLFSV-CABCVRRESA-N 2 0 303.475 3.567 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000775155404 1037764122 /nfs/dbraw/zinc/76/41/22/1037764122.db2.gz YVQPBRBSYSWZAM-UHFFFAOYSA-N 2 0 304.384 3.658 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000219372750 1037835748 /nfs/dbraw/zinc/83/57/48/1037835748.db2.gz GCAXPHAUIZIJED-SFTDATJTSA-N 2 0 306.453 3.641 20 0 DHADRP Clc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000037648901 1037838879 /nfs/dbraw/zinc/83/88/79/1037838879.db2.gz CZTHFQGUGWXMHP-NFOMZHRRSA-N 2 0 304.865 3.660 20 0 DHADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629562012 1037870072 /nfs/dbraw/zinc/87/00/72/1037870072.db2.gz MGRMLLPWLIRHBC-KBUPBQIOSA-N 2 0 306.416 3.662 20 0 DHADRP CCCCCC[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001201747224 1037870197 /nfs/dbraw/zinc/87/01/97/1037870197.db2.gz XTRLGFSVBNHWIE-UHFFFAOYSA-N 2 0 320.477 3.527 20 0 DHADRP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186330615 1037887978 /nfs/dbraw/zinc/88/79/78/1037887978.db2.gz NBAWZKYTDJFAPP-APWZRJJASA-N 2 0 317.521 3.530 20 0 DHADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000124475022 1037900856 /nfs/dbraw/zinc/90/08/56/1037900856.db2.gz QAUBVSRSCBODEJ-OAHLLOKOSA-N 2 0 324.896 3.567 20 0 DHADRP C[C@@H]1CC2(CC([NH2+]C3CC[NH+](CC4CCCCC4)CC3)C2)CO1 ZINC000924857960 1037904282 /nfs/dbraw/zinc/90/42/82/1037904282.db2.gz WTLRBNUITMEZAK-PBPGXSGUSA-N 2 0 320.521 3.578 20 0 DHADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001205101717 1037953126 /nfs/dbraw/zinc/95/31/26/1037953126.db2.gz JUNMBKVDISUHNG-GFCCVEGCSA-N 2 0 304.381 3.612 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187284691 1037957541 /nfs/dbraw/zinc/95/75/41/1037957541.db2.gz SRRCGXNMPQUOBP-INIZCTEOSA-N 2 0 312.567 3.866 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000125795786 1037958705 /nfs/dbraw/zinc/95/87/05/1037958705.db2.gz IQBIENKKSZQWOP-LSDHHAIUSA-N 2 0 308.441 3.605 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187645096 1037984250 /nfs/dbraw/zinc/98/42/50/1037984250.db2.gz FAGLPXFUFBUPQS-KGLIPLIRSA-N 2 0 305.853 3.874 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000125942554 1037989766 /nfs/dbraw/zinc/98/97/66/1037989766.db2.gz IPAZFQAAFHKDOA-VQIMIIECSA-N 2 0 318.530 3.727 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000494331538 1038045817 /nfs/dbraw/zinc/04/58/17/1038045817.db2.gz PYPDGGGCIASPFZ-KRWDZBQOSA-N 2 0 318.505 3.823 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000494314160 1038055105 /nfs/dbraw/zinc/05/51/05/1038055105.db2.gz QQIDWMYDJWNCRQ-KRWDZBQOSA-N 2 0 318.505 3.681 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000126377984 1038062737 /nfs/dbraw/zinc/06/27/37/1038062737.db2.gz RJOBKSDFFDBEOO-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000494377728 1038079523 /nfs/dbraw/zinc/07/95/23/1038079523.db2.gz NRYWZIDFTAEPRZ-QGZVFWFLSA-N 2 0 318.505 3.823 20 0 DHADRP CSC1(C[NH2+][C@H](CC2CC2)c2ccccc2)CC[NH+](C)CC1 ZINC000571129090 1038089496 /nfs/dbraw/zinc/08/94/96/1038089496.db2.gz BQMKKNYQNMHSQH-GOSISDBHSA-N 2 0 318.530 3.945 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000065996764 1038134599 /nfs/dbraw/zinc/13/45/99/1038134599.db2.gz RTGIARDLJDCJAB-UHFFFAOYSA-N 2 0 302.393 3.517 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)C1 ZINC000571537581 1038166817 /nfs/dbraw/zinc/16/68/17/1038166817.db2.gz KTCJNSGZQSWHPO-NHCUHLMSSA-N 2 0 324.468 3.763 20 0 DHADRP CC[NH+](C/C=C\C[N@@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000588168933 1038265187 /nfs/dbraw/zinc/26/51/87/1038265187.db2.gz CLYJVPNITYVPRX-WAYWQWQTSA-N 2 0 302.418 3.773 20 0 DHADRP COc1ccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000572048180 1038322911 /nfs/dbraw/zinc/32/29/11/1038322911.db2.gz IHONJUKIEDKFST-UHFFFAOYSA-N 2 0 322.452 3.506 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000572158290 1038336438 /nfs/dbraw/zinc/33/64/38/1038336438.db2.gz JXCFJWKTKHVESP-SFHVURJKSA-N 2 0 302.487 3.637 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000572205352 1038352054 /nfs/dbraw/zinc/35/20/54/1038352054.db2.gz FDZUUCJCROIIRQ-IKGGRYGDSA-N 2 0 304.478 3.507 20 0 DHADRP CC[C@@H](C)[N@@H+](CCc1ccccc1F)CC[C@@H]1CCC[NH+]1C ZINC001190626745 1038358573 /nfs/dbraw/zinc/35/85/73/1038358573.db2.gz CEUJTKGXKNUERE-AEFFLSMTSA-N 2 0 306.469 3.953 20 0 DHADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001205537915 1038370699 /nfs/dbraw/zinc/37/06/99/1038370699.db2.gz KODIVLOARDVLAG-XIRDDKMYSA-N 2 0 310.844 3.596 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCSC2)ccc1OC ZINC000775412983 1038384021 /nfs/dbraw/zinc/38/40/21/1038384021.db2.gz SXLUNXVYBFTEOM-YOEHRIQHSA-N 2 0 322.518 3.693 20 0 DHADRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC001205545229 1038400808 /nfs/dbraw/zinc/40/08/08/1038400808.db2.gz AVOTZGAPTCONJM-AWEZNQCLSA-N 2 0 305.224 3.646 20 0 DHADRP CO[C@H](C)C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC001191097789 1038435998 /nfs/dbraw/zinc/43/59/98/1038435998.db2.gz BKCKGUQTVHRABB-GOSISDBHSA-N 2 0 318.505 3.918 20 0 DHADRP C[C@@H]1C[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC001191194158 1038458912 /nfs/dbraw/zinc/45/89/12/1038458912.db2.gz RCITXEZCQMUIRC-RTBURBONSA-N 2 0 314.517 3.919 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000589638195 1038524568 /nfs/dbraw/zinc/52/45/68/1038524568.db2.gz OIXKXHAMWFUSFL-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000775507533 1038600091 /nfs/dbraw/zinc/60/00/91/1038600091.db2.gz AEWBQWWVVTZMGE-WZGPROSRSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@@H]1CC[N@H+](CCc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205602052 1038669481 /nfs/dbraw/zinc/66/94/81/1038669481.db2.gz HROVHFXMNIYARQ-UKRRQHHQSA-N 2 0 314.395 3.555 20 0 DHADRP CCSCC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001192489453 1038673334 /nfs/dbraw/zinc/67/33/34/1038673334.db2.gz FQHDHSAGODOMON-UHFFFAOYSA-N 2 0 300.556 3.820 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1cnccc1C ZINC000573248498 1038889431 /nfs/dbraw/zinc/88/94/31/1038889431.db2.gz VVWPWTITGWTCQK-UXHICEINSA-N 2 0 317.521 3.813 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000573338599 1038914206 /nfs/dbraw/zinc/91/42/06/1038914206.db2.gz SMEHOWVPGNZFDI-MSOLQXFVSA-N 2 0 310.441 3.592 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000760881561 1038956088 /nfs/dbraw/zinc/95/60/88/1038956088.db2.gz MAYFJMGUQFSJTK-LJQANCHMSA-N 2 0 304.453 3.880 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](CCc3ccc(F)cc3Cl)C2)CC1 ZINC000573472268 1038975810 /nfs/dbraw/zinc/97/58/10/1038975810.db2.gz PIMYFYZDOQZKSN-MRXNPFEDSA-N 2 0 324.871 3.685 20 0 DHADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]CC2CCSCC2)c1 ZINC000603515069 1039032181 /nfs/dbraw/zinc/03/21/81/1039032181.db2.gz DGLGPIRPADKZKH-UHFFFAOYSA-N 2 0 318.530 3.905 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000573732827 1039065498 /nfs/dbraw/zinc/06/54/98/1039065498.db2.gz FDOKZJJSUYXXKC-HBFSDRIKSA-N 2 0 323.569 3.740 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001168415301 1039133589 /nfs/dbraw/zinc/13/35/89/1039133589.db2.gz NARVQJWWXTVULB-LJQANCHMSA-N 2 0 316.464 3.537 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000592367092 1039166215 /nfs/dbraw/zinc/16/62/15/1039166215.db2.gz SYJHYKIDVNEIBZ-GOSISDBHSA-N 2 0 318.530 3.915 20 0 DHADRP c1ccc(CCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000480527876 1039434243 /nfs/dbraw/zinc/43/42/43/1039434243.db2.gz QNIDTACNHHSSOT-UHFFFAOYSA-N 2 0 300.490 3.960 20 0 DHADRP CC1CCC(C)([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000604764096 1039543672 /nfs/dbraw/zinc/54/36/72/1039543672.db2.gz VLLAWQIVJPSKOP-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000594785975 1039906216 /nfs/dbraw/zinc/90/62/16/1039906216.db2.gz ADNCOLAQCSHUGC-LJQANCHMSA-N 2 0 323.484 3.886 20 0 DHADRP CCSC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000595099623 1040064739 /nfs/dbraw/zinc/06/47/39/1040064739.db2.gz MDCAKOCNLHXSOR-HNNXBMFYSA-N 2 0 322.518 3.563 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccnc(Cl)c1 ZINC000158188942 1040116709 /nfs/dbraw/zinc/11/67/09/1040116709.db2.gz ZOMMSKSOFZKVPP-OAHLLOKOSA-N 2 0 309.885 3.898 20 0 DHADRP COC(C)(C)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000575049951 1040121849 /nfs/dbraw/zinc/12/18/49/1040121849.db2.gz VKUMYKPWWLXXGT-MRXNPFEDSA-N 2 0 324.534 3.625 20 0 DHADRP CCOc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000761116587 1040173237 /nfs/dbraw/zinc/17/32/37/1040173237.db2.gz CZCOMPCBVMECJK-UHFFFAOYSA-N 2 0 311.429 3.557 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H](OC)C2CCC2)CC1)CC1CC1 ZINC001168423250 1040192839 /nfs/dbraw/zinc/19/28/39/1040192839.db2.gz FWSPYLXORZFYEN-HXUWFJFHSA-N 2 0 322.537 3.636 20 0 DHADRP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000608065783 1040364613 /nfs/dbraw/zinc/36/46/13/1040364613.db2.gz YXZYWUIQJPKCET-LPHOPBHVSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000642195406 1040697114 /nfs/dbraw/zinc/69/71/14/1040697114.db2.gz HNNMUZQCALGFHL-YLJYHZDGSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cccnc1 ZINC000092767893 185338900 /nfs/dbraw/zinc/33/89/00/185338900.db2.gz LACDYRHGZRJTNC-BZSNNMDCSA-N 2 0 323.484 3.889 20 0 DHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000092856857 185347042 /nfs/dbraw/zinc/34/70/42/185347042.db2.gz PVLPFHSJRGMXKX-HNNXBMFYSA-N 2 0 313.420 3.788 20 0 DHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000092856868 185346896 /nfs/dbraw/zinc/34/68/96/185346896.db2.gz SGZTZHDMUHTOBV-HNNXBMFYSA-N 2 0 313.420 3.788 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000563785003 335012320 /nfs/dbraw/zinc/01/23/20/335012320.db2.gz VMIAWCRBZJZCCP-WSTZPKSXSA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000093944655 193331535 /nfs/dbraw/zinc/33/15/35/193331535.db2.gz KJKKJISZJCSVKO-DLBZAZTESA-N 2 0 303.494 3.524 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(Br)o1 ZINC000019914831 182164263 /nfs/dbraw/zinc/16/42/63/182164263.db2.gz PTIRKZHACYDLSN-GFCCVEGCSA-N 2 0 317.271 3.642 20 0 DHADRP c1ccc(CCCC[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC000040973082 183153955 /nfs/dbraw/zinc/15/39/55/183153955.db2.gz LWFXLRXFMITDIA-UHFFFAOYSA-N 2 0 300.490 3.721 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272599630 130044947 /nfs/dbraw/zinc/04/49/47/130044947.db2.gz UACRZLWUEWYCDI-HOTGVXAUSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272668929 130051544 /nfs/dbraw/zinc/05/15/44/130051544.db2.gz JXRFNMVVSLWRKV-CRAIPNDOSA-N 2 0 311.473 3.911 20 0 DHADRP COCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274790412 130262551 /nfs/dbraw/zinc/26/25/51/130262551.db2.gz RLNXTWVUWUOGEJ-HKUYNNGSSA-N 2 0 318.505 3.549 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000275585204 130342164 /nfs/dbraw/zinc/34/21/64/130342164.db2.gz OAMPQWFVPAZEFK-QFBILLFUSA-N 2 0 304.453 3.924 20 0 DHADRP Cc1ccncc1CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278871206 130724040 /nfs/dbraw/zinc/72/40/40/130724040.db2.gz GEWOTLPMEFFXOV-IEBWSBKVSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC1(C)C ZINC000340186538 131027895 /nfs/dbraw/zinc/02/78/95/131027895.db2.gz SBRUGFZZQZUROQ-VQIMIIECSA-N 2 0 316.489 3.718 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000285099221 131137919 /nfs/dbraw/zinc/13/79/19/131137919.db2.gz KGTANAINWWDXSA-HDYDNRTBSA-N 2 0 316.489 3.588 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340218225 131213117 /nfs/dbraw/zinc/21/31/17/131213117.db2.gz GKSHAYZCSXEMST-MRXNPFEDSA-N 2 0 316.489 3.716 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000287473844 131282269 /nfs/dbraw/zinc/28/22/69/131282269.db2.gz WOVGOESUKFFSRP-SQGPQFPESA-N 2 0 309.457 3.704 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccncc1F ZINC000340308721 131370263 /nfs/dbraw/zinc/37/02/63/131370263.db2.gz CLLMTJZRBRXLBB-KLAILNCOSA-N 2 0 319.468 3.914 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1F ZINC000297711914 132030170 /nfs/dbraw/zinc/03/01/70/132030170.db2.gz RBUOJWPXZJEQTG-ZDUSSCGKSA-N 2 0 317.383 3.679 20 0 DHADRP c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298134185 132047436 /nfs/dbraw/zinc/04/74/36/132047436.db2.gz QFUCPNUVYAKBDJ-LEWJYISDSA-N 2 0 321.468 3.976 20 0 DHADRP CC[NH+](CC)Cc1ccc(NC2CC[NH+](C3CC3)CC2)cc1 ZINC000298165027 132049185 /nfs/dbraw/zinc/04/91/85/132049185.db2.gz SUXUSSHWFHRXBV-UHFFFAOYSA-N 2 0 301.478 3.567 20 0 DHADRP c1ccc(C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000298434713 132062759 /nfs/dbraw/zinc/06/27/59/132062759.db2.gz NFAFPABLDXSWDT-OAQYLSRUSA-N 2 0 321.468 3.661 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1ccnc(N)c1 ZINC000299604517 132113234 /nfs/dbraw/zinc/11/32/34/132113234.db2.gz ISMMYGPJZLQYOO-GFCCVEGCSA-N 2 0 304.463 3.745 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000449103442 331774314 /nfs/dbraw/zinc/77/43/14/331774314.db2.gz ATKGYZKPJHYWLO-SJLPKXTDSA-N 2 0 308.897 3.983 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261725555 331835762 /nfs/dbraw/zinc/83/57/62/331835762.db2.gz RCWIFVKUZBFVOR-SFTDATJTSA-N 2 0 323.484 3.763 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000558404695 331903045 /nfs/dbraw/zinc/90/30/45/331903045.db2.gz JCFALGWNHASRIR-IBGZPJMESA-N 2 0 318.530 3.729 20 0 DHADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000262057297 331915631 /nfs/dbraw/zinc/91/56/31/331915631.db2.gz DNIGSFUWERJXMO-BZUAXINKSA-N 2 0 312.379 3.716 20 0 DHADRP [NH3+][C@@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ccccc21 ZINC000261764027 332001318 /nfs/dbraw/zinc/00/13/18/332001318.db2.gz WAJHJCATJGPIFW-HKBOAZHASA-N 2 0 321.468 3.558 20 0 DHADRP [NH3+][C@@H]1C[C@@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)c2ccccc21 ZINC000261764030 332001406 /nfs/dbraw/zinc/00/14/06/332001406.db2.gz WAJHJCATJGPIFW-NJDAHSKKSA-N 2 0 321.468 3.558 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128091242 332009837 /nfs/dbraw/zinc/00/98/37/332009837.db2.gz ONHJPBZILICINU-NZSAHSFTSA-N 2 0 300.490 3.959 20 0 DHADRP C[NH+](C)[C@H](CNc1cc[nH+]c2ccccc12)c1cccc(F)c1 ZINC000518351934 332017100 /nfs/dbraw/zinc/01/71/00/332017100.db2.gz FPCFTWNDLWLCNT-LJQANCHMSA-N 2 0 309.388 3.511 20 0 DHADRP Fc1ccc2cc(C[NH2+]CCCCC[NH+]3CCCC3)[nH]c2c1 ZINC000559326068 332025936 /nfs/dbraw/zinc/02/59/36/332025936.db2.gz APKAEPCIQQIPSL-UHFFFAOYSA-N 2 0 303.425 3.663 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000131299906 332028750 /nfs/dbraw/zinc/02/87/50/332028750.db2.gz SNIVBINYVDXDMI-GOSISDBHSA-N 2 0 317.521 3.756 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000409447896 332033093 /nfs/dbraw/zinc/03/30/93/332033093.db2.gz BRLXQKJXPFJLSM-IBGZPJMESA-N 2 0 322.537 3.922 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000131783556 332033821 /nfs/dbraw/zinc/03/38/21/332033821.db2.gz IWHRFOLKVIAMFN-FFHGMXDLSA-N 2 0 306.425 3.500 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc3nc(C)sc3c2)C1 ZINC000426409662 332126295 /nfs/dbraw/zinc/12/62/95/332126295.db2.gz FXOCXLHZTNKZMF-MRXNPFEDSA-N 2 0 317.502 3.768 20 0 DHADRP CC[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000580109228 332945357 /nfs/dbraw/zinc/94/53/57/332945357.db2.gz MESKXFCCQRHEBC-ICSRJNTNSA-N 2 0 316.489 3.685 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000428247280 332164494 /nfs/dbraw/zinc/16/44/94/332164494.db2.gz TZLORWCPEOIWMD-UYAOXDASSA-N 2 0 318.505 3.816 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)CC[N@@H+]1C ZINC000426054765 335096720 /nfs/dbraw/zinc/09/67/20/335096720.db2.gz LOYGSHULKWYFBL-CABCVRRESA-N 2 0 322.443 3.849 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000559854752 332285482 /nfs/dbraw/zinc/28/54/82/332285482.db2.gz LEMVHNMMLVXZAC-MISYRCLQSA-N 2 0 317.521 3.532 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000559854754 332285508 /nfs/dbraw/zinc/28/55/08/332285508.db2.gz LEMVHNMMLVXZAC-RLLQIKCJSA-N 2 0 317.521 3.532 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cn1 ZINC000564959132 332296553 /nfs/dbraw/zinc/29/65/53/332296553.db2.gz NWNKNXNNMIAUAS-HXUWFJFHSA-N 2 0 321.468 3.677 20 0 DHADRP CC(C)c1ccc(OC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000564973509 332329035 /nfs/dbraw/zinc/32/90/35/332329035.db2.gz MWBKNJWMWHCEJJ-HXUWFJFHSA-N 2 0 316.489 3.653 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000560528279 332351765 /nfs/dbraw/zinc/35/17/65/332351765.db2.gz PAQJNRFAJYFKJW-FGTMMUONSA-N 2 0 304.453 3.566 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560548641 332357785 /nfs/dbraw/zinc/35/77/85/332357785.db2.gz QMQXXAKTWIZEGR-GUDVDZBRSA-N 2 0 312.457 3.746 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+]C3CC4(CCC4)C3)CC2)c1 ZINC000448068801 332487689 /nfs/dbraw/zinc/48/76/89/332487689.db2.gz XOPGYEUPHIXQEB-UHFFFAOYSA-N 2 0 304.503 3.882 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464068873 332637633 /nfs/dbraw/zinc/63/76/33/332637633.db2.gz SHZJWBBDMFOQFL-QZTJIDSGSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000518827432 335113518 /nfs/dbraw/zinc/11/35/18/335113518.db2.gz RWEKPMRCWBMJMN-PKOBYXMFSA-N 2 0 323.569 3.597 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141976 333037865 /nfs/dbraw/zinc/03/78/65/333037865.db2.gz FPFMSMJVEUMSCB-DVOMOZLQSA-N 2 0 314.395 3.881 20 0 DHADRP COc1ccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000378925988 333064435 /nfs/dbraw/zinc/06/44/35/333064435.db2.gz SXRJTWVREDJTEK-OALUTQOASA-N 2 0 310.441 3.565 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000387761657 333172551 /nfs/dbraw/zinc/17/25/51/333172551.db2.gz FSFFZLOQFRAXIM-CQSZACIVSA-N 2 0 317.864 3.708 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCSc2ccccc2)CC1 ZINC000522777170 333389220 /nfs/dbraw/zinc/38/92/20/333389220.db2.gz ZBDCFBJRAGTRSY-UHFFFAOYSA-N 2 0 306.519 3.831 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000390776564 333392107 /nfs/dbraw/zinc/39/21/07/333392107.db2.gz OZWBTDZPEAKLLD-IEBWSBKVSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000563137673 333395881 /nfs/dbraw/zinc/39/58/81/333395881.db2.gz ABVDZKYOFBAXGQ-UKRRQHHQSA-N 2 0 314.395 3.697 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000534331965 333577854 /nfs/dbraw/zinc/57/78/54/333577854.db2.gz AOHHTDSLFRDSQI-UHFFFAOYSA-N 2 0 315.486 3.584 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)s2)cc1 ZINC000571226403 333685473 /nfs/dbraw/zinc/68/54/73/333685473.db2.gz OOEVMKHGYYXNIF-CABCVRRESA-N 2 0 316.470 3.783 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000411540341 333690740 /nfs/dbraw/zinc/69/07/40/333690740.db2.gz VGWMSCDVZVWUFD-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000343460613 335166531 /nfs/dbraw/zinc/16/65/31/335166531.db2.gz FIBJVHAIMUYVGS-IBGZPJMESA-N 2 0 318.505 3.646 20 0 DHADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1OC(F)F ZINC000271820824 334027232 /nfs/dbraw/zinc/02/72/32/334027232.db2.gz CJUAHADSECMNAR-HNNXBMFYSA-N 2 0 310.388 3.591 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000272501488 334035979 /nfs/dbraw/zinc/03/59/79/334035979.db2.gz DQNRYWISGLPOPE-QGZVFWFLSA-N 2 0 314.473 3.754 20 0 DHADRP CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000272968471 334041447 /nfs/dbraw/zinc/04/14/47/334041447.db2.gz BSXPLRYWCBRTCL-ZDUSSCGKSA-N 2 0 324.428 3.890 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000414651058 334054925 /nfs/dbraw/zinc/05/49/25/334054925.db2.gz DUEIQNSLNCSIPP-UHFFFAOYSA-N 2 0 324.468 3.841 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414659212 334058997 /nfs/dbraw/zinc/05/89/97/334058997.db2.gz SIXNWWYQCXDYBA-ZIAGYGMSSA-N 2 0 314.395 3.740 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1CN1CCC[C@H]([NH3+])C1 ZINC000414657952 334059843 /nfs/dbraw/zinc/05/98/43/334059843.db2.gz PLVANQNXRXTAIG-SFHVURJKSA-N 2 0 310.441 3.594 20 0 DHADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414663548 334061879 /nfs/dbraw/zinc/06/18/79/334061879.db2.gz SKGUPDOZVFGRAK-TZMCWYRMSA-N 2 0 300.368 3.573 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414706067 334071885 /nfs/dbraw/zinc/07/18/85/334071885.db2.gz OITOMMHQESNROF-HPFXQQBRSA-N 2 0 304.503 3.553 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414720461 334074164 /nfs/dbraw/zinc/07/41/64/334074164.db2.gz YQTTXRFCKSTISI-GGPKGHCWSA-N 2 0 315.505 3.852 20 0 DHADRP c1sc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1-c1ccccc1 ZINC000414770936 334089623 /nfs/dbraw/zinc/08/96/23/334089623.db2.gz PXSLWLUENUZNBD-CALCHBBNSA-N 2 0 312.482 3.847 20 0 DHADRP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772930 334090433 /nfs/dbraw/zinc/09/04/33/334090433.db2.gz CTDWBVHLHLZEEN-UONOGXRCSA-N 2 0 312.379 3.527 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786735 334096404 /nfs/dbraw/zinc/09/64/04/334096404.db2.gz UTIVJBVCGKMVNN-SJORKVTESA-N 2 0 304.503 3.620 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000414803561 334102487 /nfs/dbraw/zinc/10/24/87/334102487.db2.gz DBPATBJUIBQGKE-ZDUSSCGKSA-N 2 0 320.383 3.640 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414802031 334103264 /nfs/dbraw/zinc/10/32/64/334103264.db2.gz AYCCKDLJRUINDO-OAHLLOKOSA-N 2 0 319.493 3.634 20 0 DHADRP CC(C)Cc1ncc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000414807211 334104539 /nfs/dbraw/zinc/10/45/39/334104539.db2.gz ITPCOYQHSYWGMN-CYBMUJFWSA-N 2 0 303.475 3.651 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000414810221 334105188 /nfs/dbraw/zinc/10/51/88/334105188.db2.gz HOTFBZYKKVYACU-CQDKDKBSSA-N 2 0 300.368 3.917 20 0 DHADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414816383 334106341 /nfs/dbraw/zinc/10/63/41/334106341.db2.gz PRVBDBOJYRLICV-CABCVRRESA-N 2 0 322.456 3.694 20 0 DHADRP CCCn1c(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nc2ccccc21 ZINC000414813430 334106350 /nfs/dbraw/zinc/10/63/50/334106350.db2.gz TTXAXYYRIFUPFV-HNNXBMFYSA-N 2 0 322.456 3.756 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414822508 334108328 /nfs/dbraw/zinc/10/83/28/334108328.db2.gz MVQUUADYFRMNAB-JHJVBQTASA-N 2 0 300.899 3.700 20 0 DHADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414825242 334109218 /nfs/dbraw/zinc/10/92/18/334109218.db2.gz GRIDOOXYQYQMAR-YGOACVGDSA-N 2 0 312.379 3.682 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414836577 334111578 /nfs/dbraw/zinc/11/15/78/334111578.db2.gz SXRUIIATSIMSBB-DZGCQCFKSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414837267 334111597 /nfs/dbraw/zinc/11/15/97/334111597.db2.gz JJUHVVYDFDARPT-LSTHTHJFSA-N 2 0 321.553 3.527 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414837383 334111811 /nfs/dbraw/zinc/11/18/11/334111811.db2.gz HCWUVWSEBWVAJT-GFCCVEGCSA-N 2 0 300.899 3.974 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414842779 334112976 /nfs/dbraw/zinc/11/29/76/334112976.db2.gz ZFCAUEGURANEAD-GFCCVEGCSA-N 2 0 301.261 3.515 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414850180 334123252 /nfs/dbraw/zinc/12/32/52/334123252.db2.gz YZBXVRVPBISUJG-CHWSQXEVSA-N 2 0 300.899 3.702 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414854437 334127910 /nfs/dbraw/zinc/12/79/10/334127910.db2.gz LVHCUCZQWJJKRO-AEFFLSMTSA-N 2 0 304.478 3.589 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414858324 334131837 /nfs/dbraw/zinc/13/18/37/334131837.db2.gz RKFILMAKIAHWDX-GDBMZVCRSA-N 2 0 300.471 3.893 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862183 334133050 /nfs/dbraw/zinc/13/30/50/334133050.db2.gz VCSWEQIYUPAHQD-HUUCEWRRSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])CCCCCC3)CC2)C1 ZINC000414864576 334134908 /nfs/dbraw/zinc/13/49/08/334134908.db2.gz ZOIXAOKBWFDORT-MJGOQNOKSA-N 2 0 321.553 3.671 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000414872424 334143272 /nfs/dbraw/zinc/14/32/72/334143272.db2.gz FZJPMIBTOZPOKE-HUUCEWRRSA-N 2 0 312.379 3.813 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414892059 334158539 /nfs/dbraw/zinc/15/85/39/334158539.db2.gz PFXSSCRUVLISQY-HIFRSBDPSA-N 2 0 301.261 3.641 20 0 DHADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414894560 334159552 /nfs/dbraw/zinc/15/95/52/334159552.db2.gz TTYIGQCXMNSPIE-XHSDSOJGSA-N 2 0 312.379 3.668 20 0 DHADRP CC1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC000414904192 334167575 /nfs/dbraw/zinc/16/75/75/334167575.db2.gz NCDQWXUBZNTECV-DOTOQJQBSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414920787 334181197 /nfs/dbraw/zinc/18/11/97/334181197.db2.gz ZGIGERYPAKOUTQ-BYCMXARLSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414926155 334187821 /nfs/dbraw/zinc/18/78/21/334187821.db2.gz MQIGCHKCWXQXBC-IJLUTSLNSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@H](C[NH2+]C1CCC([NH3+])CC1)c1c(Cl)cccc1Cl ZINC000415083634 334272322 /nfs/dbraw/zinc/27/23/22/334272322.db2.gz NYOLBTKRISHZTD-VOMCLLRMSA-N 2 0 301.261 3.956 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000414949010 334206809 /nfs/dbraw/zinc/20/68/09/334206809.db2.gz ZIBBXRMAGAJSGW-BEFAXECRSA-N 2 0 312.482 3.925 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414957020 334208870 /nfs/dbraw/zinc/20/88/70/334208870.db2.gz BESWKHQPZBZSJE-BBRMVZONSA-N 2 0 314.395 3.758 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000340474997 334212095 /nfs/dbraw/zinc/21/20/95/334212095.db2.gz VCBZQNXQWSNZHM-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414961506 334212667 /nfs/dbraw/zinc/21/26/67/334212667.db2.gz ILWUYSNEIZHHLJ-BBRMVZONSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414967984 334215307 /nfs/dbraw/zinc/21/53/07/334215307.db2.gz QUPKUEDAGFACST-CZUORRHYSA-N 2 0 314.395 3.931 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000295094249 334218409 /nfs/dbraw/zinc/21/84/09/334218409.db2.gz VEAJVGKTTUVADC-DWJZYCCASA-N 2 0 306.881 3.904 20 0 DHADRP c1ccc2cc(OCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000415082441 334273304 /nfs/dbraw/zinc/27/33/04/334273304.db2.gz LSOFFGAKWSQOMV-HBMCJLEFSA-N 2 0 324.468 3.729 20 0 DHADRP FC(F)Oc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414972743 334220456 /nfs/dbraw/zinc/22/04/56/334220456.db2.gz MXBKIGKNKGAAEI-LBPRGKRZSA-N 2 0 318.795 3.563 20 0 DHADRP FC(F)Oc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414972742 334220483 /nfs/dbraw/zinc/22/04/83/334220483.db2.gz MXBKIGKNKGAAEI-GFCCVEGCSA-N 2 0 318.795 3.563 20 0 DHADRP c1ccc(COc2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000414983441 334227481 /nfs/dbraw/zinc/22/74/81/334227481.db2.gz ZQPFIFMGJBIBRN-HXUWFJFHSA-N 2 0 324.468 3.887 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000414991220 334230826 /nfs/dbraw/zinc/23/08/26/334230826.db2.gz ATDALXHXHUUMSE-LSDHHAIUSA-N 2 0 321.896 3.547 20 0 DHADRP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414997647 334236483 /nfs/dbraw/zinc/23/64/83/334236483.db2.gz HQLSYRJJCOZYCZ-AZUAARDMSA-N 2 0 312.432 3.617 20 0 DHADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415087367 334275711 /nfs/dbraw/zinc/27/57/11/334275711.db2.gz SWJMBPRHVBUPKY-VQTJNVASSA-N 2 0 312.432 3.760 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415010666 334256322 /nfs/dbraw/zinc/25/63/22/334256322.db2.gz GOJCKWUDDDMZHO-QWHCGFSZSA-N 2 0 302.384 3.744 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415021801 334259613 /nfs/dbraw/zinc/25/96/13/334259613.db2.gz KRESLDQYOPBDKA-MNEFBYGVSA-N 2 0 304.478 3.827 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000415026069 334259893 /nfs/dbraw/zinc/25/98/93/334259893.db2.gz RUVQWUIUVLMRIF-STEAMIEHSA-N 2 0 304.453 3.817 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000415028056 334259996 /nfs/dbraw/zinc/25/99/96/334259996.db2.gz BYUVNBFNMBCUMV-SWLSCSKDSA-N 2 0 304.434 3.771 20 0 DHADRP Fc1ccc2oc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000415034156 334260306 /nfs/dbraw/zinc/26/03/06/334260306.db2.gz CHFLRYIQRBIRDG-DYVFJYSZSA-N 2 0 302.393 3.536 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036160 334260482 /nfs/dbraw/zinc/26/04/82/334260482.db2.gz FJYVPLIIOFOSNH-ZBFHGGJFSA-N 2 0 312.379 3.669 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415035109 334260550 /nfs/dbraw/zinc/26/05/50/334260550.db2.gz KNJZTKYKXCQOAI-HNAYVOBHSA-N 2 0 310.441 3.579 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000415045330 334261261 /nfs/dbraw/zinc/26/12/61/334261261.db2.gz BNEOUWRIORGMHS-IBGZPJMESA-N 2 0 316.489 3.796 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415046881 334261529 /nfs/dbraw/zinc/26/15/29/334261529.db2.gz VMFJKNPVJLNHLD-WOJBJXKFSA-N 2 0 308.469 3.557 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000415056299 334261635 /nfs/dbraw/zinc/26/16/35/334261635.db2.gz PUWFJPGQFQGHRV-MRXNPFEDSA-N 2 0 308.347 3.674 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](CN)C1CCCC1 ZINC000415071645 334265405 /nfs/dbraw/zinc/26/54/05/334265405.db2.gz WZBZNTNZPJMGCD-LRDDRELGSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000415074662 334266711 /nfs/dbraw/zinc/26/67/11/334266711.db2.gz PRDARFRKVBGPNB-WFASDCNBSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000415074655 334266729 /nfs/dbraw/zinc/26/67/29/334266729.db2.gz PRDARFRKVBGPNB-DOMZBBRYSA-N 2 0 300.368 3.541 20 0 DHADRP Clc1cccc(CC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)c1 ZINC000415075786 334266995 /nfs/dbraw/zinc/26/69/95/334266995.db2.gz AHCQPHYGZFBXPS-OALUTQOASA-N 2 0 314.860 3.965 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000415076458 334269114 /nfs/dbraw/zinc/26/91/14/334269114.db2.gz CJHMKBCWEVDGCA-VSZNYVQBSA-N 2 0 310.526 3.728 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089731 334279727 /nfs/dbraw/zinc/27/97/27/334279727.db2.gz WQLIYMVHCJBSJO-TYNCELHUSA-N 2 0 318.358 3.797 20 0 DHADRP CCOCCC1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CCCC1 ZINC000415090451 334279883 /nfs/dbraw/zinc/27/98/83/334279883.db2.gz OUXLVWBXJOYBLJ-QZTJIDSGSA-N 2 0 310.526 3.874 20 0 DHADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415093628 334280703 /nfs/dbraw/zinc/28/07/03/334280703.db2.gz CHYFDYCODDIHRG-SWLSCSKDSA-N 2 0 302.384 3.772 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000415098039 334281248 /nfs/dbraw/zinc/28/12/48/334281248.db2.gz DUOLRFBHXNOLMO-AWEZNQCLSA-N 2 0 316.470 3.513 20 0 DHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCC3CCCCC3)CC2)C1 ZINC000415120817 334284257 /nfs/dbraw/zinc/28/42/57/334284257.db2.gz HCDSNEYHLHEAQG-RBUKOAKNSA-N 2 0 308.510 3.565 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000531945807 334301136 /nfs/dbraw/zinc/30/11/36/334301136.db2.gz BEBWZKMTBTVVKA-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@H](CC)C1CCOCC1)[NH+]1CCCC1 ZINC000531946529 334304723 /nfs/dbraw/zinc/30/47/23/334304723.db2.gz GCTNPHHWTTZIMF-MOPGFXCFSA-N 2 0 310.526 3.682 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000303663002 334324587 /nfs/dbraw/zinc/32/45/87/334324587.db2.gz DQCNMPYTEUKBDT-HXUWFJFHSA-N 2 0 300.490 3.673 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534977845 334351599 /nfs/dbraw/zinc/35/15/99/334351599.db2.gz ZGWLOEMAFYLUKT-WMZOPIPTSA-N 2 0 324.896 3.664 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000535082850 334366705 /nfs/dbraw/zinc/36/67/05/334366705.db2.gz OKDWROSDSWTUKQ-UHFFFAOYSA-N 2 0 304.478 3.556 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323736 334708579 /nfs/dbraw/zinc/70/85/79/334708579.db2.gz OYMSRFVXUGJOHC-RRQGHBQHSA-N 2 0 304.503 3.704 20 0 DHADRP CCCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000343945663 335207116 /nfs/dbraw/zinc/20/71/16/335207116.db2.gz MOIWGOMDKJNAKR-QUCCMNQESA-N 2 0 317.521 3.534 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000344089557 335217005 /nfs/dbraw/zinc/21/70/05/335217005.db2.gz DCHZEEKTDXZLDW-MOPGFXCFSA-N 2 0 316.489 3.576 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344097208 335217866 /nfs/dbraw/zinc/21/78/66/335217866.db2.gz IMTOKIFOYUQHCG-IBGZPJMESA-N 2 0 304.453 3.915 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C12CCCC2 ZINC000344113808 335218339 /nfs/dbraw/zinc/21/83/39/335218339.db2.gz MSUWRDFJZUJQRJ-RTBURBONSA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)C12CCC2 ZINC000344157250 335222675 /nfs/dbraw/zinc/22/26/75/335222675.db2.gz ZZBVKNLAXZXQBW-FGTMMUONSA-N 2 0 308.510 3.578 20 0 DHADRP COCc1ccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000344881488 335282631 /nfs/dbraw/zinc/28/26/31/335282631.db2.gz ILSBTXNOHLPGTG-UHFFFAOYSA-N 2 0 320.477 3.559 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000165966331 335294869 /nfs/dbraw/zinc/29/48/69/335294869.db2.gz QBVLGRNOYBATBJ-CVEARBPZSA-N 2 0 318.461 3.749 20 0 DHADRP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000190937533 335295067 /nfs/dbraw/zinc/29/50/67/335295067.db2.gz OSVDUABBXPQYBO-LJQANCHMSA-N 2 0 320.521 3.676 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345146587 335301311 /nfs/dbraw/zinc/30/13/11/335301311.db2.gz BHPZXNWGAJDTHA-KURKYZTESA-N 2 0 318.505 3.679 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000346060137 335371796 /nfs/dbraw/zinc/37/17/96/335371796.db2.gz IMFHQSFZRUUNSE-LSDHHAIUSA-N 2 0 308.416 3.629 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCC1CCCCC1 ZINC000346176197 335377700 /nfs/dbraw/zinc/37/77/00/335377700.db2.gz OEDRSTHHXYMXQP-UHFFFAOYSA-N 2 0 312.461 3.978 20 0 DHADRP CC(C)[N@@H+]1CCc2nc(CN3CCCC(C)(C)C3)sc2C1 ZINC000346138814 335380307 /nfs/dbraw/zinc/38/03/07/335380307.db2.gz UJEUUXVDKIIZSJ-UHFFFAOYSA-N 2 0 307.507 3.532 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000346167007 335384219 /nfs/dbraw/zinc/38/42/19/335384219.db2.gz JUJXXTGZBJCATA-INIZCTEOSA-N 2 0 320.440 3.811 20 0 DHADRP Fc1ccc(C[N@H+](CCn2ccnc2)Cc2ccccc2)cc1 ZINC000346305415 335398409 /nfs/dbraw/zinc/39/84/09/335398409.db2.gz IAKRAAXJTVOIDS-UHFFFAOYSA-N 2 0 309.388 3.725 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000389033617 335707090 /nfs/dbraw/zinc/70/70/90/335707090.db2.gz PDRFTPPHCOQXCI-MRXNPFEDSA-N 2 0 304.478 3.856 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000350184594 335732821 /nfs/dbraw/zinc/73/28/21/335732821.db2.gz OKYMYOOTIJLMLL-UHFFFAOYSA-N 2 0 315.486 3.584 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000352257592 336207450 /nfs/dbraw/zinc/20/74/50/336207450.db2.gz WAWVUTBJTDQOIM-UHFFFAOYSA-N 2 0 323.484 3.920 20 0 DHADRP CC(C)COc1cccc(C[NH2+]C[C@H]2CCCn3ccnc32)c1 ZINC000352451274 336219912 /nfs/dbraw/zinc/21/99/12/336219912.db2.gz VOCQTVLGVJUOBS-QGZVFWFLSA-N 2 0 313.445 3.585 20 0 DHADRP COc1ccc([C@@H](C)NCCC[NH+]2CCCCC2)cc1Cl ZINC000532454654 336248194 /nfs/dbraw/zinc/24/81/94/336248194.db2.gz JDHAFZRSTRNOHN-CQSZACIVSA-N 2 0 310.869 3.875 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000532476560 336251181 /nfs/dbraw/zinc/25/11/81/336251181.db2.gz QWPCVOHTLXDHKQ-BFUOFWGJSA-N 2 0 302.437 3.523 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000532507222 336252847 /nfs/dbraw/zinc/25/28/47/336252847.db2.gz ZDHLAACLGGIAIC-FQEVSTJZSA-N 2 0 316.489 3.685 20 0 DHADRP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192921761 336284294 /nfs/dbraw/zinc/28/42/94/336284294.db2.gz JQLHJPXDRLTSOK-HXUWFJFHSA-N 2 0 324.468 3.697 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192933917 336285282 /nfs/dbraw/zinc/28/52/82/336285282.db2.gz LYDKTPPZLXSJFJ-KRWDZBQOSA-N 2 0 300.471 3.668 20 0 DHADRP Cc1cc(NC2CC[NH+](C(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301697853 336324139 /nfs/dbraw/zinc/32/41/39/336324139.db2.gz ZXIMRJUGZFXLFV-UHFFFAOYSA-N 2 0 301.409 3.967 20 0 DHADRP CCCc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c2ccccc2[nH+]1 ZINC000301790550 336330089 /nfs/dbraw/zinc/33/00/89/336330089.db2.gz NFMCTUSIBDRQND-KRWDZBQOSA-N 2 0 309.457 3.862 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000302042973 336345069 /nfs/dbraw/zinc/34/50/69/336345069.db2.gz OFWBFEPKGXCLIQ-MRXNPFEDSA-N 2 0 307.441 3.556 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000563947633 336387929 /nfs/dbraw/zinc/38/79/29/336387929.db2.gz IDNWOLRPXIRPCM-SOAISFHBSA-N 2 0 300.490 3.860 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000353443632 336418192 /nfs/dbraw/zinc/41/81/92/336418192.db2.gz SKAPFUPSQCHHGX-UHFFFAOYSA-N 2 0 300.368 3.668 20 0 DHADRP CC1(C)C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C(C)(C)O1 ZINC000355738453 336520707 /nfs/dbraw/zinc/52/07/07/336520707.db2.gz RYCAJLVILUQVSF-SFHVURJKSA-N 2 0 316.489 3.718 20 0 DHADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000356862396 336563724 /nfs/dbraw/zinc/56/37/24/336563724.db2.gz ZRBOMPCDMSMLQL-KRWDZBQOSA-N 2 0 304.478 3.776 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000357787076 336598405 /nfs/dbraw/zinc/59/84/05/336598405.db2.gz YQUFMRIXZWJSLJ-SJLPKXTDSA-N 2 0 304.478 3.776 20 0 DHADRP Cc1ccc(OC2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1C ZINC000359217380 336663357 /nfs/dbraw/zinc/66/33/57/336663357.db2.gz KQXFPTGXCWGNOV-UHFFFAOYSA-N 2 0 316.489 3.536 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000361762619 336771886 /nfs/dbraw/zinc/77/18/86/336771886.db2.gz DBZNWUZKUHEQHG-LJQANCHMSA-N 2 0 316.489 3.920 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000361931630 336778769 /nfs/dbraw/zinc/77/87/69/336778769.db2.gz XJHNONCVIXIWHP-SJORKVTESA-N 2 0 312.885 3.738 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000361969789 336780402 /nfs/dbraw/zinc/78/04/02/336780402.db2.gz CIMZMWDUZBTUTL-ZIFCJYIRSA-N 2 0 316.489 3.980 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)c1cccnc1 ZINC000369244900 336861117 /nfs/dbraw/zinc/86/11/17/336861117.db2.gz UYXWMMJUWGEJBP-SFHVURJKSA-N 2 0 323.484 3.687 20 0 DHADRP C[C@@H]1CC(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C[C@@H](C)O1 ZINC000369862713 336873271 /nfs/dbraw/zinc/87/32/71/336873271.db2.gz JUZGESSZMVZHNT-IAGOWNOFSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000371486409 336906120 /nfs/dbraw/zinc/90/61/20/336906120.db2.gz WPHNLBORXIYCNO-AZUAARDMSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000375689537 337016645 /nfs/dbraw/zinc/01/66/45/337016645.db2.gz IESOZQSVBLIAHB-NSHGMRRFSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2sc(CC)nc2C)CC1 ZINC000122650148 337017508 /nfs/dbraw/zinc/01/75/08/337017508.db2.gz QPFVPMHXAAVTSE-CYBMUJFWSA-N 2 0 309.523 3.787 20 0 DHADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000376489269 337034791 /nfs/dbraw/zinc/03/47/91/337034791.db2.gz CLYVXLFOBGOYCT-ZBFHGGJFSA-N 2 0 322.412 3.512 20 0 DHADRP C(CC[NH2+][C@H]1CCCC12CCOCC2)CC[NH+]1CCCCC1 ZINC000376735580 337040054 /nfs/dbraw/zinc/04/00/54/337040054.db2.gz HBLINVRBDBGHLT-SFHVURJKSA-N 2 0 308.510 3.582 20 0 DHADRP C[N@H+](Cc1ccc2occc2c1)C1CCN(c2ccccn2)CC1 ZINC000377656289 337057649 /nfs/dbraw/zinc/05/76/49/337057649.db2.gz XBVSCXXXCUUEEK-UHFFFAOYSA-N 2 0 321.424 3.929 20 0 DHADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000377759332 337060317 /nfs/dbraw/zinc/06/03/17/337060317.db2.gz GCVUEEQCAHJBFU-AEFFLSMTSA-N 2 0 300.471 3.839 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]CCn2ccnc2)cc1 ZINC000378478309 337073878 /nfs/dbraw/zinc/07/38/78/337073878.db2.gz VTMQMFLNFQFJNZ-HOTGVXAUSA-N 2 0 323.362 3.828 20 0 DHADRP CCc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c2ccccc2[nH+]1 ZINC000582478535 337096224 /nfs/dbraw/zinc/09/62/24/337096224.db2.gz RAENAYYZWQZYPD-WBVHZDCISA-N 2 0 309.457 3.860 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000459333202 337170659 /nfs/dbraw/zinc/17/06/59/337170659.db2.gz ARVGZWKAWSUNAC-INIZCTEOSA-N 2 0 300.437 3.762 20 0 DHADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000180970665 337178881 /nfs/dbraw/zinc/17/88/81/337178881.db2.gz RDOCFAKTLKWQBX-OAHLLOKOSA-N 2 0 313.445 3.697 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)CC[N@@H+]1C ZINC000181016116 337179324 /nfs/dbraw/zinc/17/93/24/337179324.db2.gz SVRGVQFNJMVVPP-ZBFHGGJFSA-N 2 0 321.534 3.806 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C12CCC2 ZINC000183198518 337190283 /nfs/dbraw/zinc/19/02/83/337190283.db2.gz XCTLADPRJCRXPL-QFHJOOASSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CCSCC1 ZINC000186966015 337261898 /nfs/dbraw/zinc/26/18/98/337261898.db2.gz KTJFLNQMFHBZRO-INIZCTEOSA-N 2 0 318.530 3.904 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000583198257 337267763 /nfs/dbraw/zinc/26/77/63/337267763.db2.gz YWZJBXFSLGDHGE-LBPRGKRZSA-N 2 0 313.420 3.716 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1F ZINC000398005948 337303644 /nfs/dbraw/zinc/30/36/44/337303644.db2.gz GWMZGKJMBSAUBY-UZLBHIALSA-N 2 0 312.432 3.826 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000583862525 337354040 /nfs/dbraw/zinc/35/40/40/337354040.db2.gz LKCZZZJAMFFOPT-HKUYNNGSSA-N 2 0 312.542 3.641 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125313560 337410770 /nfs/dbraw/zinc/41/07/70/337410770.db2.gz FGQKHOJNZRSEJI-ZDUSSCGKSA-N 2 0 309.523 3.957 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(Br)c1 ZINC000045664063 337421564 /nfs/dbraw/zinc/42/15/64/337421564.db2.gz PKDQBZYRURZGNH-HNNXBMFYSA-N 2 0 313.283 3.832 20 0 DHADRP c1csc(C[NH+](CC[C@H]2CC[NH2+]C2)Cc2cccs2)c1 ZINC000420321715 337499987 /nfs/dbraw/zinc/49/99/87/337499987.db2.gz RLFJUBPKAJHEKR-CQSZACIVSA-N 2 0 306.500 3.811 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 ZINC000420377524 337500336 /nfs/dbraw/zinc/50/03/36/337500336.db2.gz SFEXIMUWDCKUGR-UYAOXDASSA-N 2 0 312.457 3.724 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000572287016 337605005 /nfs/dbraw/zinc/60/50/05/337605005.db2.gz UWHCAFOYTUMXKI-UHFFFAOYSA-N 2 0 302.462 3.505 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC000162529714 337634489 /nfs/dbraw/zinc/63/44/89/337634489.db2.gz MDDFBJZBVKAZQC-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CCCO2 ZINC000421890594 337655359 /nfs/dbraw/zinc/65/53/59/337655359.db2.gz YBECPNPDCKRLME-FAFZWHIHSA-N 2 0 316.489 3.980 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CCCO2 ZINC000421871797 337657384 /nfs/dbraw/zinc/65/73/84/337657384.db2.gz GFDCVFSROCZKNT-HTWSVDAQSA-N 2 0 302.462 3.671 20 0 DHADRP C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC[NH+]1CCCCC1 ZINC000422711298 337683736 /nfs/dbraw/zinc/68/37/36/337683736.db2.gz GWDXWIGKWZVWLZ-XUVXKRRUSA-N 3 0 321.553 3.543 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422717428 337683890 /nfs/dbraw/zinc/68/38/90/337683890.db2.gz OLZHRTKVXUIRGW-OALUTQOASA-N 3 0 309.542 3.543 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000422726617 337684416 /nfs/dbraw/zinc/68/44/16/337684416.db2.gz FOFJIGMHICBYAU-SCRDCRAPSA-N 2 0 300.368 3.744 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422754747 337685331 /nfs/dbraw/zinc/68/53/31/337685331.db2.gz GDFHEUFBRGMONL-HNAYVOBHSA-N 2 0 314.448 3.651 20 0 DHADRP c1csc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCCC2)c1 ZINC000422761193 337685392 /nfs/dbraw/zinc/68/53/92/337685392.db2.gz HJGUSBFCUXWQMA-XYPWUTKMSA-N 2 0 304.503 3.823 20 0 DHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422769682 337685768 /nfs/dbraw/zinc/68/57/68/337685768.db2.gz WAJVWABBAYROTD-ICBNADEASA-N 2 0 322.537 3.728 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422776072 337685996 /nfs/dbraw/zinc/68/59/96/337685996.db2.gz CBYDCGUHPVQLFS-GUDVDZBRSA-N 2 0 300.490 3.783 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422783512 337686419 /nfs/dbraw/zinc/68/64/19/337686419.db2.gz MYLGJMQTEFCRFT-QSFXBCCZSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422783513 337686428 /nfs/dbraw/zinc/68/64/28/337686428.db2.gz MYLGJMQTEFCRFT-ZAAXVRCTSA-N 2 0 314.473 3.801 20 0 DHADRP CCc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422785573 337686655 /nfs/dbraw/zinc/68/66/55/337686655.db2.gz PLPCVYUXAZWKHP-FPOVZHCZSA-N 2 0 322.452 3.595 20 0 DHADRP Cc1nc(-c2ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc2)cs1 ZINC000422801491 337687334 /nfs/dbraw/zinc/68/73/34/337687334.db2.gz FOMSVEGBMNZCFK-CHWSQXEVSA-N 2 0 303.475 3.897 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422810178 337687706 /nfs/dbraw/zinc/68/77/06/337687706.db2.gz SZRSCKCYFUDRSQ-RHSMWYFYSA-N 2 0 309.457 3.619 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422820397 337688086 /nfs/dbraw/zinc/68/80/86/337688086.db2.gz QJEPSIKNIDBCHJ-YYWYGQEZSA-N 2 0 310.551 3.951 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422816952 337688093 /nfs/dbraw/zinc/68/80/93/337688093.db2.gz BTHSPBNNMULWAI-IUODEOHRSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825568 337688192 /nfs/dbraw/zinc/68/81/92/337688192.db2.gz JSMRSDRRUZDGAF-DQYPLSBCSA-N 2 0 324.415 3.643 20 0 DHADRP CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422840526 337688601 /nfs/dbraw/zinc/68/86/01/337688601.db2.gz TWCHLABJPRDURB-YRGRVCCFSA-N 2 0 318.383 3.578 20 0 DHADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422839244 337688666 /nfs/dbraw/zinc/68/86/66/337688666.db2.gz QCCDPVJELSIGNG-INDMIFKZSA-N 2 0 316.514 3.527 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422875552 337689584 /nfs/dbraw/zinc/68/95/84/337689584.db2.gz PCROGNYIAAXZGG-ZIAGYGMSSA-N 2 0 308.441 3.783 20 0 DHADRP CCOCCC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCCC1 ZINC000422887139 337690124 /nfs/dbraw/zinc/69/01/24/337690124.db2.gz KCSZLINVRQMCNN-IEBWSBKVSA-N 2 0 318.505 3.522 20 0 DHADRP CCCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422893755 337690461 /nfs/dbraw/zinc/69/04/61/337690461.db2.gz RFFYFCICWSNPHU-CABCVRRESA-N 2 0 320.477 3.523 20 0 DHADRP c1sc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1C1CCCCC1 ZINC000422908352 337690823 /nfs/dbraw/zinc/69/08/23/337690823.db2.gz DFZBIKXQEFAURM-XYPWUTKMSA-N 2 0 319.518 3.606 20 0 DHADRP Clc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000422912490 337691113 /nfs/dbraw/zinc/69/11/13/337691113.db2.gz WHDJVVOPLDBUMB-SJPCQFCGSA-N 2 0 304.865 3.634 20 0 DHADRP c1ccc2ncc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000422915880 337691308 /nfs/dbraw/zinc/69/13/08/337691308.db2.gz ZHUMLRUGTHDCEE-YSIASYRMSA-N 2 0 309.457 3.635 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC(F)(F)F)c1 ZINC000422928835 337691972 /nfs/dbraw/zinc/69/19/72/337691972.db2.gz MXYBLCYHPKBMEF-RAQOOLMWSA-N 2 0 314.351 3.519 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H](C)CCC[NH3+])c2ccc(C)cc2)cc1 ZINC000422937583 337692395 /nfs/dbraw/zinc/69/23/95/337692395.db2.gz OIFDCKZAJSRIPA-JXFKEZNVSA-N 2 0 312.457 3.810 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939431 337692510 /nfs/dbraw/zinc/69/25/10/337692510.db2.gz RMDCIIFFEKUCPN-YLJYHZDGSA-N 2 0 324.468 3.710 20 0 DHADRP CC(C)(CCCc1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422979508 337693517 /nfs/dbraw/zinc/69/35/17/337693517.db2.gz JSPMWBQKQYIPEV-DFNIBXOVSA-N 2 0 300.490 3.908 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422984749 337693649 /nfs/dbraw/zinc/69/36/49/337693649.db2.gz ZAYBWAWFSLHLQA-VQIMIIECSA-N 2 0 304.478 3.578 20 0 DHADRP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422994513 337693867 /nfs/dbraw/zinc/69/38/67/337693867.db2.gz HXWVNNBKAFAIIE-ZYGVUQDESA-N 2 0 314.473 3.558 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]C1 ZINC000422958983 337694937 /nfs/dbraw/zinc/69/49/37/337694937.db2.gz ZVKFWGCXEUFONL-FIXISWKDSA-N 2 0 313.272 3.958 20 0 DHADRP CC1CCC(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422974438 337695351 /nfs/dbraw/zinc/69/53/51/337695351.db2.gz QYLDLYLTNICOKC-CCJHYTBNSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006309 337695452 /nfs/dbraw/zinc/69/54/52/337695452.db2.gz VBAPSDXDMVAOMX-OAHLLOKOSA-N 2 0 316.420 3.878 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000423014249 337695578 /nfs/dbraw/zinc/69/55/78/337695578.db2.gz ONHLCAXNCFDHIG-HZPDHXFCSA-N 2 0 324.468 3.894 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423045536 337697002 /nfs/dbraw/zinc/69/70/02/337697002.db2.gz SOKJIQHJFGSAOF-MDASCCDHSA-N 2 0 302.437 3.739 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423052417 337697329 /nfs/dbraw/zinc/69/73/29/337697329.db2.gz QMYAFHLJMXDDBC-GFCCVEGCSA-N 2 0 300.849 3.864 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423054832 337697375 /nfs/dbraw/zinc/69/73/75/337697375.db2.gz VGGONUVGQFSNPW-IPMKNSEASA-N 2 0 312.457 3.794 20 0 DHADRP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000423060293 337697775 /nfs/dbraw/zinc/69/77/75/337697775.db2.gz OBULKWRDZYGJGQ-NOOVBMIQSA-N 2 0 323.484 3.721 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423081299 337698624 /nfs/dbraw/zinc/69/86/24/337698624.db2.gz CQTAJTNJAJDOCH-CQSZACIVSA-N 2 0 317.408 3.620 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092023 337698896 /nfs/dbraw/zinc/69/88/96/337698896.db2.gz AEJMDKUXWLGSPA-SDADXPQNSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423093738 337699152 /nfs/dbraw/zinc/69/91/52/337699152.db2.gz AFZMDSFYVWDMMF-QCQGSNGOSA-N 2 0 313.272 3.956 20 0 DHADRP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423120363 337700517 /nfs/dbraw/zinc/70/05/17/337700517.db2.gz GEENKFYGHOSWKO-ASEORRQLSA-N 2 0 310.894 3.899 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423138394 337701252 /nfs/dbraw/zinc/70/12/52/337701252.db2.gz JEZOFXVFIHRATH-KZNAEPCWSA-N 2 0 315.505 3.568 20 0 DHADRP Cc1cc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1Cl ZINC000423140578 337701321 /nfs/dbraw/zinc/70/13/21/337701321.db2.gz MSUULVZJLHABGR-CYBMUJFWSA-N 2 0 317.864 3.704 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OCC ZINC000423214237 337704541 /nfs/dbraw/zinc/70/45/41/337704541.db2.gz OMSROTPIAOPHJQ-DOTOQJQBSA-N 2 0 320.477 3.524 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OCC ZINC000423214241 337704584 /nfs/dbraw/zinc/70/45/84/337704584.db2.gz OMSROTPIAOPHJQ-RDJZCZTQSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000423220826 337705445 /nfs/dbraw/zinc/70/54/45/337705445.db2.gz VYIQITNQCHNPHD-OIKLOGQESA-N 2 0 318.795 3.862 20 0 DHADRP CC(C)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423250473 337707400 /nfs/dbraw/zinc/70/74/00/337707400.db2.gz QHYLGGFKVYNXPS-CZUORRHYSA-N 2 0 314.395 3.992 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423254987 337707668 /nfs/dbraw/zinc/70/76/68/337707668.db2.gz AHCYMXHRXQTVQH-KBPBESRZSA-N 2 0 310.869 3.779 20 0 DHADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423261379 337707970 /nfs/dbraw/zinc/70/79/70/337707970.db2.gz SBOZSZRQWNERAV-JXFKEZNVSA-N 2 0 312.432 3.894 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423261869 337708027 /nfs/dbraw/zinc/70/80/27/337708027.db2.gz SZEFMIZZINNXRF-IRXDYDNUSA-N 2 0 304.478 3.762 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1SC ZINC000423274428 337708769 /nfs/dbraw/zinc/70/87/69/337708769.db2.gz KLPZPYZZCIPBCW-CFVMTHIKSA-N 2 0 308.491 3.585 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423277524 337708959 /nfs/dbraw/zinc/70/89/59/337708959.db2.gz OJBIXCNNIHLBGT-UBHSHLNASA-N 2 0 309.523 3.917 20 0 DHADRP COc1cccc(C[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C2CC2)c1 ZINC000423293858 337710569 /nfs/dbraw/zinc/71/05/69/337710569.db2.gz SFZLGNLIWRMZOE-BTYIYWSLSA-N 2 0 324.468 3.826 20 0 DHADRP COc1ncc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000423295722 337710747 /nfs/dbraw/zinc/71/07/47/337710747.db2.gz XJRQVUVSFUNDEG-RYUDHWBXSA-N 2 0 319.836 3.614 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423300608 337711095 /nfs/dbraw/zinc/71/10/95/337711095.db2.gz SASVODMWLFRKKG-SMDDNHRTSA-N 2 0 319.449 3.511 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423315881 337711674 /nfs/dbraw/zinc/71/16/74/337711674.db2.gz BEVBUNZPFAEFAF-QGZVFWFLSA-N 2 0 306.812 3.897 20 0 DHADRP CC1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423319654 337711873 /nfs/dbraw/zinc/71/18/73/337711873.db2.gz DQMGCUVRDDMMGZ-AWEZNQCLSA-N 2 0 310.894 3.856 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)ccc2c1 ZINC000423331448 337712411 /nfs/dbraw/zinc/71/24/11/337712411.db2.gz OKNHRZOMNLIJEA-FOIQADDNSA-N 2 0 312.457 3.889 20 0 DHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCC[NH3+])s2)cc1 ZINC000423331881 337712431 /nfs/dbraw/zinc/71/24/31/337712431.db2.gz NBZJUOJUFCGSDO-LBPRGKRZSA-N 2 0 319.474 3.517 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423337986 337712757 /nfs/dbraw/zinc/71/27/57/337712757.db2.gz UQGKMKVPHDPBPJ-SJKOYZFVSA-N 2 0 309.523 3.789 20 0 DHADRP c1ccc(CC[C@@H](Cc2ccccc2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423342971 337713047 /nfs/dbraw/zinc/71/30/47/337713047.db2.gz LFELONMQPYSRHO-QFIPXVFZSA-N 2 0 320.480 3.740 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423348506 337713408 /nfs/dbraw/zinc/71/34/08/337713408.db2.gz UCGKLZDRYZZMOC-MFKMUULPSA-N 2 0 317.296 3.551 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423357783 337714170 /nfs/dbraw/zinc/71/41/70/337714170.db2.gz ASIPGOBSASEQDT-NVXWUHKLSA-N 2 0 309.542 3.525 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1F ZINC000423359986 337714274 /nfs/dbraw/zinc/71/42/74/337714274.db2.gz DYJSNSMAFRHTKD-MVWJERBFSA-N 2 0 315.230 3.509 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423361563 337714590 /nfs/dbraw/zinc/71/45/90/337714590.db2.gz XCRJUDGOWUIXKL-WMZOPIPTSA-N 2 0 304.865 3.561 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423398885 337715563 /nfs/dbraw/zinc/71/55/63/337715563.db2.gz UIWGDUVDJUZRDI-CYBMUJFWSA-N 2 0 300.833 3.664 20 0 DHADRP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423421112 337716760 /nfs/dbraw/zinc/71/67/60/337716760.db2.gz ASTORPZAHAIBCV-BMGDILEWSA-N 2 0 308.416 3.640 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423421139 337716801 /nfs/dbraw/zinc/71/68/01/337716801.db2.gz ASTORPZAHAIBCV-QGTPRVQTSA-N 2 0 308.416 3.640 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000423426970 337717063 /nfs/dbraw/zinc/71/70/63/337717063.db2.gz PZVNHOIQIVBJRG-MLYOOKFZSA-N 2 0 316.489 3.509 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423376693 337717262 /nfs/dbraw/zinc/71/72/62/337717262.db2.gz YLMZOFQEFICHEK-NVXWUHKLSA-N 2 0 320.477 3.667 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423377545 337717337 /nfs/dbraw/zinc/71/73/37/337717337.db2.gz YXCBPKXKASRBTE-XJKSGUPXSA-N 2 0 315.486 3.911 20 0 DHADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423384948 337717912 /nfs/dbraw/zinc/71/79/12/337717912.db2.gz LEFGZQLLQWPMHX-GHTZIAJQSA-N 2 0 306.453 3.791 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1SC ZINC000423434311 337718999 /nfs/dbraw/zinc/71/89/99/337718999.db2.gz XPURDJIVZFQINS-RBSFLKMASA-N 2 0 322.518 3.833 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423452592 337720103 /nfs/dbraw/zinc/72/01/03/337720103.db2.gz JWQPDXXUMCXBHI-IAQYHMDHSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423459854 337720456 /nfs/dbraw/zinc/72/04/56/337720456.db2.gz RLKHABLGFWHEDZ-KDOFPFPSSA-N 2 0 317.864 3.736 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423458994 337720514 /nfs/dbraw/zinc/72/05/14/337720514.db2.gz QULCZSKWHIOTJG-XHDPSFHLSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000423462843 337720606 /nfs/dbraw/zinc/72/06/06/337720606.db2.gz PPCVODRYKVKLEW-RWMBFGLXSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccsc1 ZINC000423465244 337720702 /nfs/dbraw/zinc/72/07/02/337720702.db2.gz HKQNHMNSSZEYEJ-RPVQJOFSSA-N 2 0 318.461 3.931 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423490929 337722447 /nfs/dbraw/zinc/72/24/47/337722447.db2.gz YEGHRMATEBFFHU-AEFFLSMTSA-N 2 0 302.462 3.639 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423492485 337722682 /nfs/dbraw/zinc/72/26/82/337722682.db2.gz NFTSEXGMPIXVDT-UQQDIPGASA-N 2 0 316.489 3.680 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000423500833 337723435 /nfs/dbraw/zinc/72/34/35/337723435.db2.gz JBWKDOVJMJMOBT-ARFHVFGLSA-N 2 0 324.896 3.913 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423481435 337724955 /nfs/dbraw/zinc/72/49/55/337724955.db2.gz WOQDWJMTVAUCEJ-SJORKVTESA-N 3 0 323.569 3.773 20 0 DHADRP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539760 337725067 /nfs/dbraw/zinc/72/50/67/337725067.db2.gz ISMRROQNSIQXAB-FLTUCWPJSA-N 2 0 304.865 3.695 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC(C(F)(F)F)CC1 ZINC000423545138 337725278 /nfs/dbraw/zinc/72/52/78/337725278.db2.gz OULPMFMUZVKFSJ-UFPQDOEBSA-N 2 0 318.427 3.721 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1CCCC1 ZINC000423545579 337725328 /nfs/dbraw/zinc/72/53/28/337725328.db2.gz XZUVRJDYUMFXFI-FQEVSTJZSA-N 2 0 314.473 3.826 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546070 337725356 /nfs/dbraw/zinc/72/53/56/337725356.db2.gz YLWBRLOLBAPMCV-HNNXBMFYSA-N 2 0 311.256 3.880 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423547359 337725417 /nfs/dbraw/zinc/72/54/17/337725417.db2.gz PVCQYASBNQBZQW-CYUUQNCZSA-N 2 0 307.507 3.614 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000423548887 337725452 /nfs/dbraw/zinc/72/54/52/337725452.db2.gz NATSCAQPZJAAGW-NZKYLMMGSA-N 2 0 318.892 3.954 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]CCCCOc2ccccc2)cc1 ZINC000527116782 337731952 /nfs/dbraw/zinc/73/19/52/337731952.db2.gz CPZXCMIOXIUXQQ-UHFFFAOYSA-N 2 0 312.457 3.697 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000121758619 337898684 /nfs/dbraw/zinc/89/86/84/337898684.db2.gz PWDFRABRUMYYEO-IRXDYDNUSA-N 2 0 318.505 3.899 20 0 DHADRP C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)CC[NH+]1CCCCC1 ZINC000121814551 337901169 /nfs/dbraw/zinc/90/11/69/337901169.db2.gz LGFYLZZUDVXKJM-OTWHNJEPSA-N 2 0 320.521 3.580 20 0 DHADRP CCC[C@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000516120220 338005802 /nfs/dbraw/zinc/00/58/02/338005802.db2.gz CSKSKAITYCIRGJ-GOSISDBHSA-N 2 0 320.546 3.987 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000426168158 338021999 /nfs/dbraw/zinc/02/19/99/338021999.db2.gz XZWCEGZRQNDFNF-VOTSOKGWSA-N 2 0 315.505 3.929 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@]1(C)CCCO1 ZINC000428455169 338052633 /nfs/dbraw/zinc/05/26/33/338052633.db2.gz SGBMEWSSQQQXRG-LWSMDNFKSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCSc3ccccc3Cl)C2)C1 ZINC000428994445 338068174 /nfs/dbraw/zinc/06/81/74/338068174.db2.gz FSIHQPWESNWMMR-QGZVFWFLSA-N 2 0 324.921 3.850 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccsc4)cc3)C2)C1 ZINC000429039453 338069598 /nfs/dbraw/zinc/06/95/98/338069598.db2.gz ZKYJMDDLHXKDST-LJQANCHMSA-N 2 0 312.482 3.943 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429143682 338071821 /nfs/dbraw/zinc/07/18/21/338071821.db2.gz RMWQERNZVXDCTI-RDJZCZTQSA-N 2 0 324.921 3.991 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429539950 338083257 /nfs/dbraw/zinc/08/32/57/338083257.db2.gz METQVIPCDOTZKX-SJORKVTESA-N 2 0 306.519 3.973 20 0 DHADRP CC(C)C[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430139416 338098619 /nfs/dbraw/zinc/09/86/19/338098619.db2.gz PTBCONMNJLJMCB-UXHICEINSA-N 2 0 300.490 3.844 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430732053 338112719 /nfs/dbraw/zinc/11/27/19/338112719.db2.gz YMXGMSFTGAZQLO-UHFFFAOYSA-N 2 0 320.546 3.974 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000430935216 338119113 /nfs/dbraw/zinc/11/91/13/338119113.db2.gz SCCYXNBLUXULCO-INIZCTEOSA-N 2 0 312.457 3.668 20 0 DHADRP CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH3+])C3)s2)cc1 ZINC000430968649 338119693 /nfs/dbraw/zinc/11/96/93/338119693.db2.gz ZBODMIOELAWBBE-AWEZNQCLSA-N 2 0 315.486 3.714 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)s1 ZINC000432418692 338155702 /nfs/dbraw/zinc/15/57/02/338155702.db2.gz UPUWNBAFXALZJD-HIFRSBDPSA-N 2 0 310.507 3.516 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c2ccccc12 ZINC000432799047 338168316 /nfs/dbraw/zinc/16/83/16/338168316.db2.gz VOFLPNZJQRVPRP-QGZVFWFLSA-N 2 0 312.457 3.765 20 0 DHADRP C[N@H+](CCSCc1cnc2ccccn12)Cc1ccccc1 ZINC000433053637 338178790 /nfs/dbraw/zinc/17/87/90/338178790.db2.gz RIUKRWVHOUDTDK-UHFFFAOYSA-N 2 0 311.454 3.700 20 0 DHADRP CCN(Cc1csc(-c2ccc(C)o2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435625801 338243878 /nfs/dbraw/zinc/24/38/78/338243878.db2.gz MSFSDNPMGHEPGM-OAHLLOKOSA-N 2 0 319.474 3.676 20 0 DHADRP CCC(C)(C)CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698258 338245590 /nfs/dbraw/zinc/24/55/90/338245590.db2.gz VXUPTYBYMXQEKG-HNNXBMFYSA-N 2 0 321.534 3.914 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCC1 ZINC000436301485 338267669 /nfs/dbraw/zinc/26/76/69/338267669.db2.gz ZGQPVDKCGSIKQQ-FUHWJXTLSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCSCC1 ZINC000436304826 338267950 /nfs/dbraw/zinc/26/79/50/338267950.db2.gz DZHAFTRKSBKJNN-CRAIPNDOSA-N 2 0 310.551 3.905 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000437777588 338321094 /nfs/dbraw/zinc/32/10/94/338321094.db2.gz TXSOPQNSGPOYGZ-TZJYRCSTSA-N 2 0 316.489 3.969 20 0 DHADRP COc1ccc(C2CCC([NH2+]C3CCC([NH3+])CC3)CC2)cc1 ZINC000437791405 338321676 /nfs/dbraw/zinc/32/16/76/338321676.db2.gz DCYGITCXIGGVAI-UHFFFAOYSA-N 2 0 302.462 3.581 20 0 DHADRP Cc1ccc2cc(C[NH2+]CC[C@H](C)[NH+]3CCCCC3)ccc2n1 ZINC000437988128 338327492 /nfs/dbraw/zinc/32/74/92/338327492.db2.gz AAZDVBFNDJTNMX-KRWDZBQOSA-N 2 0 311.473 3.897 20 0 DHADRP CC(C)[C@@H](C[NH2+]CCCCOc1ccccc1)[NH+]1CCCC1 ZINC000438083807 338330444 /nfs/dbraw/zinc/33/04/44/338330444.db2.gz WYUCVPVUYKHIHW-LJQANCHMSA-N 2 0 304.478 3.556 20 0 DHADRP C[C@@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000438106506 338332070 /nfs/dbraw/zinc/33/20/70/338332070.db2.gz GJDANWSKHGYJIB-INIZCTEOSA-N 2 0 306.469 3.983 20 0 DHADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000438172885 338334672 /nfs/dbraw/zinc/33/46/72/338334672.db2.gz CFASYVIMOYAVAA-SFHVURJKSA-N 2 0 316.489 3.579 20 0 DHADRP Cc1ccc2cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)ccc2n1 ZINC000438187211 338335665 /nfs/dbraw/zinc/33/56/65/338335665.db2.gz PLURDEBIIALKSD-LJQANCHMSA-N 2 0 313.489 3.999 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1CC[NH+](C)CC1 ZINC000438831530 338352925 /nfs/dbraw/zinc/35/29/25/338352925.db2.gz RWRZLMWIYBRKMF-LJQANCHMSA-N 2 0 311.473 3.785 20 0 DHADRP C[NH+](C)CCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442650202 338426762 /nfs/dbraw/zinc/42/67/62/338426762.db2.gz ORZVCPLBGDWCOH-HOCLYGCPSA-N 2 0 314.395 3.883 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442658148 338426941 /nfs/dbraw/zinc/42/69/41/338426941.db2.gz YWFARBPTXRUPHW-HOTGVXAUSA-N 2 0 313.489 3.735 20 0 DHADRP Clc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446884969 338539486 /nfs/dbraw/zinc/53/94/86/338539486.db2.gz SMFBIIHCVZSWIW-UHFFFAOYSA-N 2 0 313.272 3.957 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000447575812 338558236 /nfs/dbraw/zinc/55/82/36/338558236.db2.gz ZMKRNDAVZLFNNZ-HNNXBMFYSA-N 2 0 319.518 3.547 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000449184154 338600157 /nfs/dbraw/zinc/60/01/57/338600157.db2.gz DDEUIFGUHRTPSS-VQIMIIECSA-N 2 0 318.530 3.567 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449289855 338609877 /nfs/dbraw/zinc/60/98/77/338609877.db2.gz CHOBGABNJOPVHG-INIZCTEOSA-N 2 0 318.530 3.567 20 0 DHADRP CCC(C)(C)OCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000453421289 338840992 /nfs/dbraw/zinc/84/09/92/338840992.db2.gz YRZQYGPQESLABK-AEFFLSMTSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCc1cncn1C ZINC000459341510 339023046 /nfs/dbraw/zinc/02/30/46/339023046.db2.gz JMBTUKZBBOMSHF-NSHDSACASA-N 2 0 324.255 3.889 20 0 DHADRP CC(C)OC1CC([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459343705 339023287 /nfs/dbraw/zinc/02/32/87/339023287.db2.gz SZCWFUPLXUDLOF-VIQWUECVSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1cc(F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000459525550 339034081 /nfs/dbraw/zinc/03/40/81/339034081.db2.gz UYUMCQCGTWYFTD-UHFFFAOYSA-N 2 0 310.844 3.752 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000459734986 339045073 /nfs/dbraw/zinc/04/50/73/339045073.db2.gz PGJFTLNEPFRCMY-CYBMUJFWSA-N 2 0 300.368 3.527 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C12CCC2 ZINC000459798380 339049125 /nfs/dbraw/zinc/04/91/25/339049125.db2.gz XMMVSFJFLFPUPU-WZGPROSRSA-N 2 0 320.521 3.577 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000459798370 339049142 /nfs/dbraw/zinc/04/91/42/339049142.db2.gz XLXVLIIHHVIEKI-ZIAGYGMSSA-N 2 0 310.482 3.930 20 0 DHADRP Cc1cccc2c(NC3CC[NH+](CC4CC4)CC3)c(C)c[nH+]c12 ZINC000462492118 339080020 /nfs/dbraw/zinc/08/00/20/339080020.db2.gz FZCZWVNGADWRPK-UHFFFAOYSA-N 2 0 309.457 3.560 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CCCCC1 ZINC000462791490 339088950 /nfs/dbraw/zinc/08/89/50/339088950.db2.gz LHZPCVBKXIKIQO-GBESFXJTSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267600 339112594 /nfs/dbraw/zinc/11/25/94/339112594.db2.gz PUXFKCQHOQJJLC-FMKPAKJESA-N 2 0 314.395 3.828 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000464060405 339132312 /nfs/dbraw/zinc/13/23/12/339132312.db2.gz BVOYMBORCBBFEZ-GUDVDZBRSA-N 2 0 310.526 3.683 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464081828 339133544 /nfs/dbraw/zinc/13/35/44/339133544.db2.gz KQQRBNAGFFVZMY-OALUTQOASA-N 2 0 300.490 3.890 20 0 DHADRP C[N@H+](CCOc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464842752 339156950 /nfs/dbraw/zinc/15/69/50/339156950.db2.gz LHLZNLACCIXVEK-FQEVSTJZSA-N 2 0 324.468 3.519 20 0 DHADRP CC/C=C\CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000466236548 339197533 /nfs/dbraw/zinc/19/75/33/339197533.db2.gz PRLHMIPHCGSMSH-PLNGDYQASA-N 2 0 301.478 3.976 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000467372109 339234978 /nfs/dbraw/zinc/23/49/78/339234978.db2.gz ZIQSUUPFGCMJRZ-QXAKKESOSA-N 2 0 315.505 3.738 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000467389584 339236246 /nfs/dbraw/zinc/23/62/46/339236246.db2.gz LDISHDHCCXRHSN-KBXCAEBGSA-N 2 0 320.452 3.533 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)[C@@H](C)C1 ZINC000467544188 339241628 /nfs/dbraw/zinc/24/16/28/339241628.db2.gz UHDFWMHBOOBPFO-ICSRJNTNSA-N 2 0 322.537 3.994 20 0 DHADRP C[C@H](CC1CCOCC1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000468387120 339261271 /nfs/dbraw/zinc/26/12/71/339261271.db2.gz DLJAPOSQHUDEKQ-GOSISDBHSA-N 2 0 322.537 3.970 20 0 DHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCC2CCCCC2)CC1 ZINC000468560377 339266517 /nfs/dbraw/zinc/26/65/17/339266517.db2.gz NJZOVMGKBBPNNE-QGZVFWFLSA-N 2 0 310.526 3.560 20 0 DHADRP c1ccc(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000469047167 339278572 /nfs/dbraw/zinc/27/85/72/339278572.db2.gz OLYMCMKYXDNZDY-UHFFFAOYSA-N 2 0 300.490 3.817 20 0 DHADRP CCCCOCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469757897 339297909 /nfs/dbraw/zinc/29/79/09/339297909.db2.gz OGYYQIOSWHIPHF-ROUUACIJSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000469851790 339302587 /nfs/dbraw/zinc/30/25/87/339302587.db2.gz LYSAYBNMZJMMNU-GXTWGEPZSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000469853691 339302762 /nfs/dbraw/zinc/30/27/62/339302762.db2.gz KONVNAJXMVCMBZ-CHWSQXEVSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(OC(F)F)ccc2ccccc21 ZINC000469864064 339303155 /nfs/dbraw/zinc/30/31/55/339303155.db2.gz RCJUKABBZZHBFM-CHWSQXEVSA-N 2 0 320.383 3.610 20 0 DHADRP CC(C)([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000469982558 339306838 /nfs/dbraw/zinc/30/68/38/339306838.db2.gz CVJAYRGONAIWQJ-LLVKDONJSA-N 2 0 301.261 3.818 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000470009535 339308378 /nfs/dbraw/zinc/30/83/78/339308378.db2.gz SMDMMYBFBZOHFJ-AWEZNQCLSA-N 2 0 318.461 3.986 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000471228836 339340491 /nfs/dbraw/zinc/34/04/91/339340491.db2.gz XPWRMOLUVSCOHM-QAPCUYQASA-N 2 0 324.896 3.771 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000471228834 339340525 /nfs/dbraw/zinc/34/05/25/339340525.db2.gz XPWRMOLUVSCOHM-CRAIPNDOSA-N 2 0 324.896 3.771 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472043211 339360342 /nfs/dbraw/zinc/36/03/42/339360342.db2.gz TWWNINREGSVFSN-UHFFFAOYSA-N 2 0 313.489 3.996 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)cc2c1C ZINC000472049395 339360830 /nfs/dbraw/zinc/36/08/30/339360830.db2.gz QWAUAKPFWQDIJV-KRWDZBQOSA-N 2 0 313.489 3.995 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000472562040 339373806 /nfs/dbraw/zinc/37/38/06/339373806.db2.gz GOEJUCOZPPNHBJ-HKUYNNGSSA-N 2 0 304.453 3.565 20 0 DHADRP COc1cccc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000472754998 339377110 /nfs/dbraw/zinc/37/71/10/339377110.db2.gz STUXJGJTYBKDDQ-LJQANCHMSA-N 2 0 316.489 3.749 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CCCCC1 ZINC000474053302 339399494 /nfs/dbraw/zinc/39/94/94/339399494.db2.gz COONGGUPMQIKQW-MISYRCLQSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060320 339399900 /nfs/dbraw/zinc/39/99/00/339399900.db2.gz RFIGOENVWDZQRB-HIFRSBDPSA-N 2 0 300.437 3.807 20 0 DHADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475553580 339454728 /nfs/dbraw/zinc/45/47/28/339454728.db2.gz YSHJTHDNTWSDNU-HDYDNRTBSA-N 2 0 300.490 3.923 20 0 DHADRP COCc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000479602088 339543256 /nfs/dbraw/zinc/54/32/56/339543256.db2.gz PJBSIWLBZNXVHU-UHFFFAOYSA-N 2 0 318.505 3.967 20 0 DHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)C(C)C)CC2)c1 ZINC000480218336 339563863 /nfs/dbraw/zinc/56/38/63/339563863.db2.gz CBUFLTDBHUZKFI-LJQANCHMSA-N 2 0 317.521 3.531 20 0 DHADRP COc1ccccc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000480617284 339579861 /nfs/dbraw/zinc/57/98/61/339579861.db2.gz VICOEXZFZCABMW-QGZVFWFLSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1cc2[nH]c(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2c(C)c1 ZINC000481988032 339618674 /nfs/dbraw/zinc/61/86/74/339618674.db2.gz AUYAOGZLJBJEDC-UHFFFAOYSA-N 2 0 313.489 3.948 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000484293260 339684038 /nfs/dbraw/zinc/68/40/38/339684038.db2.gz KDBPKDFIAWRVRD-LPHOPBHVSA-N 2 0 306.494 3.817 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CC1(C)C ZINC000487266781 339747942 /nfs/dbraw/zinc/74/79/42/339747942.db2.gz JBWBQBQQIGQVLC-QAPCUYQASA-N 2 0 304.478 3.541 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CS1 ZINC000488437065 339782203 /nfs/dbraw/zinc/78/22/03/339782203.db2.gz YFTBWZUITOVZNX-DOTOQJQBSA-N 2 0 310.482 3.507 20 0 DHADRP CC(C)C[C@@H](C)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000499597013 340040234 /nfs/dbraw/zinc/04/02/34/340040234.db2.gz AKXDFFWWMGDVBQ-QGZVFWFLSA-N 2 0 303.494 3.912 20 0 DHADRP C[C@H]([NH2+]CCCCC1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000499624727 340041426 /nfs/dbraw/zinc/04/14/26/340041426.db2.gz JICIJKAQNSHNSR-HKUYNNGSSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)CN1C1CC1 ZINC000499671783 340042540 /nfs/dbraw/zinc/04/25/40/340042540.db2.gz QMFJKFUKQSMWOS-AAEUAGOBSA-N 2 0 313.272 3.751 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000500445669 340058948 /nfs/dbraw/zinc/05/89/48/340058948.db2.gz JFKHHUNHTXSSMC-IEBWSBKVSA-N 2 0 306.494 3.546 20 0 DHADRP CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000501023508 340072491 /nfs/dbraw/zinc/07/24/91/340072491.db2.gz MTMVGRVBPBULDN-HOTGVXAUSA-N 2 0 321.484 3.807 20 0 DHADRP C[C@H](c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501042611 340073054 /nfs/dbraw/zinc/07/30/54/340073054.db2.gz BRMGADKZLONMCT-QGZVFWFLSA-N 2 0 309.457 3.991 20 0 DHADRP C[N@H+](C/C=C\c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501069344 340073724 /nfs/dbraw/zinc/07/37/24/340073724.db2.gz PDUARAQJOBHHPW-YVMONPNESA-N 2 0 321.468 3.943 20 0 DHADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501876508 340089947 /nfs/dbraw/zinc/08/99/47/340089947.db2.gz NWOKJPHQSJOCDB-VQTJNVASSA-N 2 0 323.569 3.597 20 0 DHADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501876506 340090254 /nfs/dbraw/zinc/09/02/54/340090254.db2.gz NWOKJPHQSJOCDB-PMACEKPBSA-N 2 0 323.569 3.597 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000502389235 340101463 /nfs/dbraw/zinc/10/14/63/340101463.db2.gz GPHBHUTUPKLNAP-QXAKKESOSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2CCOC)c1 ZINC000502688635 340110615 /nfs/dbraw/zinc/11/06/15/340110615.db2.gz YBOGAMHTCUTIAO-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000503046309 340119570 /nfs/dbraw/zinc/11/95/70/340119570.db2.gz CTNGTJGDKGKTFQ-UXHICEINSA-N 2 0 300.490 3.892 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000503081929 340120638 /nfs/dbraw/zinc/12/06/38/340120638.db2.gz UJOYGUJWQZCQFG-UXHICEINSA-N 2 0 300.490 3.816 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503915261 340136700 /nfs/dbraw/zinc/13/67/00/340136700.db2.gz VKYZGPTUMFCILO-UHFFFAOYSA-N 2 0 314.429 3.893 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)ccc1F ZINC000504899838 340155369 /nfs/dbraw/zinc/15/53/69/340155369.db2.gz NFXHIRNIVVHHPU-INIZCTEOSA-N 2 0 322.468 3.997 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400988565 340159590 /nfs/dbraw/zinc/15/95/90/340159590.db2.gz WWQZDMCCDSWXIK-DZOHQFGASA-N 2 0 302.462 3.513 20 0 DHADRP c1ccc(C([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000401059368 340161688 /nfs/dbraw/zinc/16/16/88/340161688.db2.gz IYRWOFMSHMQTHY-VAMGGRTRSA-N 2 0 306.453 3.754 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000506201073 340188496 /nfs/dbraw/zinc/18/84/96/340188496.db2.gz ATTQEXKUWYPCPS-GOSISDBHSA-N 2 0 304.865 3.791 20 0 DHADRP CCCN(C)[C@@H](C[NH2+][C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609174 340197554 /nfs/dbraw/zinc/19/75/54/340197554.db2.gz BSSWUKYIUAPMSC-PBHICJAKSA-N 2 0 312.885 3.738 20 0 DHADRP CCOc1cccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)c1 ZINC000506925445 340203749 /nfs/dbraw/zinc/20/37/49/340203749.db2.gz IPIAVKQALSWOLE-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000507452724 340220298 /nfs/dbraw/zinc/22/02/98/340220298.db2.gz XZFPWPIDSKWWIH-RBUKOAKNSA-N 2 0 300.490 3.953 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000508544005 340246170 /nfs/dbraw/zinc/24/61/70/340246170.db2.gz KMHPXWZGWSYOLU-GOSISDBHSA-N 2 0 308.469 3.702 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000510122345 340289557 /nfs/dbraw/zinc/28/95/57/340289557.db2.gz VQIUBGWCRBXHEI-XUDLPTGHSA-N 2 0 316.489 3.558 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2CCCF)c1 ZINC000510753708 340309745 /nfs/dbraw/zinc/30/97/45/340309745.db2.gz PAUJGVKSBZTBMX-HKUYNNGSSA-N 2 0 322.468 3.635 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000303613436 340337857 /nfs/dbraw/zinc/33/78/57/340337857.db2.gz OUHQDICBFLFADF-ICSRJNTNSA-N 2 0 300.490 3.816 20 0 DHADRP CCC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000512022956 340345685 /nfs/dbraw/zinc/34/56/85/340345685.db2.gz IRQHTPSFTARPPN-VKAVYKQESA-N 2 0 316.489 3.700 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C(C)(C)C ZINC000512050637 340346739 /nfs/dbraw/zinc/34/67/39/340346739.db2.gz CYTBOWNTDYOUTG-JTGQJZMRSA-N 2 0 310.432 3.934 20 0 DHADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C[C@@H]1OC ZINC000512318380 340356871 /nfs/dbraw/zinc/35/68/71/340356871.db2.gz OTVRSSKTEZWGOS-JFRXWTBNSA-N 2 0 322.537 3.823 20 0 DHADRP CSCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512632174 340370096 /nfs/dbraw/zinc/37/00/96/340370096.db2.gz XSIBSNZBYQHDDP-IPMKNSEASA-N 2 0 318.530 3.630 20 0 DHADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000179040685 340452835 /nfs/dbraw/zinc/45/28/35/340452835.db2.gz LBDFDLLKNLXPPM-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000521144995 340480978 /nfs/dbraw/zinc/48/09/78/340480978.db2.gz JJNRSLKUQJJLQR-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]CCC[NH+]1CCCCC1 ZINC000322860863 340706567 /nfs/dbraw/zinc/70/65/67/340706567.db2.gz VBLFYAMFJWEAPP-WCRBZPEASA-N 2 0 312.501 3.646 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530244691 340783560 /nfs/dbraw/zinc/78/35/60/340783560.db2.gz MRJUMWZWVOFBFK-TVFCKZIOSA-N 2 0 304.865 3.838 20 0 DHADRP Fc1cccc([C@H]2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000530287242 340786438 /nfs/dbraw/zinc/78/64/38/340786438.db2.gz LAEYYTUCLJKKBZ-FXAWDEMLSA-N 2 0 316.464 3.926 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCOC1 ZINC000125062055 340802154 /nfs/dbraw/zinc/80/21/54/340802154.db2.gz HMSATTPHVTVCCH-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP CCCCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000540597543 340937744 /nfs/dbraw/zinc/93/77/44/340937744.db2.gz RTNMFCOGZYEMBI-MSOLQXFVSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cnc2ccsc2c1 ZINC000130656426 341037066 /nfs/dbraw/zinc/03/70/66/341037066.db2.gz WTPBTJFVVZTOOQ-ZDUSSCGKSA-N 2 0 322.437 3.837 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CCOc2ccc(SC)cc2)CC1 ZINC000072630390 341094511 /nfs/dbraw/zinc/09/45/11/341094511.db2.gz PRUUQVUVNWMESD-UHFFFAOYSA-N 2 0 322.518 3.594 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000132139977 341117091 /nfs/dbraw/zinc/11/70/91/341117091.db2.gz IUEXZBXCNCRDHJ-KBPBESRZSA-N 2 0 319.518 3.966 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C2CC2)cc1 ZINC000546226698 341158003 /nfs/dbraw/zinc/15/80/03/341158003.db2.gz AMDRSABKPYFZIG-IBGZPJMESA-N 2 0 316.489 3.858 20 0 DHADRP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564317716 341207151 /nfs/dbraw/zinc/20/71/51/341207151.db2.gz OBJGOONCUXLAET-QGPMSJSTSA-N 2 0 302.462 3.567 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000564324447 341222036 /nfs/dbraw/zinc/22/20/36/341222036.db2.gz GODUKSAASBEUMQ-SJLPKXTDSA-N 2 0 304.503 3.715 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547831389 341236199 /nfs/dbraw/zinc/23/61/99/341236199.db2.gz WTGJOVIUMFBMBV-UHOSZYNNSA-N 2 0 318.530 3.772 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)C)nc2CC)C1 ZINC000549466377 341295282 /nfs/dbraw/zinc/29/52/82/341295282.db2.gz DTVQLEDHNQKHRY-KRWDZBQOSA-N 2 0 317.521 3.931 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000261542685 341295787 /nfs/dbraw/zinc/29/57/87/341295787.db2.gz HDYHFQXQKUZAGN-UHFFFAOYSA-N 2 0 310.441 3.625 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000261543602 341296505 /nfs/dbraw/zinc/29/65/05/341296505.db2.gz DBRWLBZUTRKYRE-TZIWHRDSSA-N 2 0 324.468 3.525 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000261543600 341296624 /nfs/dbraw/zinc/29/66/24/341296624.db2.gz DBRWLBZUTRKYRE-FPOVZHCZSA-N 2 0 324.468 3.525 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3s2)[C@H](C)C1 ZINC000550881816 341325251 /nfs/dbraw/zinc/32/52/51/341325251.db2.gz DAWXBNGLQZCOBE-RHSMWYFYSA-N 2 0 302.487 3.764 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000551262589 341335807 /nfs/dbraw/zinc/33/58/07/341335807.db2.gz DAOKNNDEXHAHDV-QGZVFWFLSA-N 2 0 320.452 3.677 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCCC2 ZINC000551264390 341335969 /nfs/dbraw/zinc/33/59/69/341335969.db2.gz ZACZLYYUAWLMMM-MSOLQXFVSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246433558 341348719 /nfs/dbraw/zinc/34/87/19/341348719.db2.gz CTECLFZDMDUEPH-LMNJBCLMSA-N 2 0 312.501 3.956 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCCC1 ZINC000246459900 341349692 /nfs/dbraw/zinc/34/96/92/341349692.db2.gz PTUWXBUQPGJGCW-SLFFLAALSA-N 2 0 322.537 3.703 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246565088 341353708 /nfs/dbraw/zinc/35/37/08/341353708.db2.gz XMZBLCKJEFEOMB-WMLDXEAASA-N 2 0 324.896 3.601 20 0 DHADRP COCCC[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247089881 341360915 /nfs/dbraw/zinc/36/09/15/341360915.db2.gz NXDIIFIBAKGCCO-RMJJICAUSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1F ZINC000552044668 341364656 /nfs/dbraw/zinc/36/46/56/341364656.db2.gz JUHVJYACBSJVQQ-XGWTYTTDSA-N 2 0 308.416 3.531 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000552049453 341365145 /nfs/dbraw/zinc/36/51/45/341365145.db2.gz WBMAXRCAGWXRBB-AEGPPILISA-N 2 0 313.272 3.956 20 0 DHADRP COc1cccc([C@H](C[NH2+][C@H]2CC=C(C)CC2)N2CCCC2)c1 ZINC000552095735 341369448 /nfs/dbraw/zinc/36/94/48/341369448.db2.gz OHADKNOXAZQHRR-ICSRJNTNSA-N 2 0 314.473 3.921 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000552111310 341370510 /nfs/dbraw/zinc/37/05/10/341370510.db2.gz WLWDYUWRKVNBQX-YVWKXTFCSA-N 2 0 322.537 3.560 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000247979627 341371906 /nfs/dbraw/zinc/37/19/06/341371906.db2.gz MCRBNPQETYNKST-QXCZDIPSSA-N 2 0 310.526 3.538 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000261558419 341372168 /nfs/dbraw/zinc/37/21/68/341372168.db2.gz SJFWPFQLXJWZRS-CTNGQTDRSA-N 2 0 324.468 3.525 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248383637 341376046 /nfs/dbraw/zinc/37/60/46/341376046.db2.gz ATIHNRGBWSUNHF-WMZOPIPTSA-N 2 0 304.453 3.565 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248388474 341376242 /nfs/dbraw/zinc/37/62/42/341376242.db2.gz RDPOWRQFQJEUFX-AYBZRNKSSA-N 2 0 304.453 3.563 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000565732030 341536529 /nfs/dbraw/zinc/53/65/29/341536529.db2.gz DHRWHOYQNFDKPV-SFHVURJKSA-N 2 0 318.509 3.743 20 0 DHADRP c1c[nH]c([C@@H]([NH2+]CCCCC[NH+]2CCCC2)C2CCCCC2)n1 ZINC000566611173 341563090 /nfs/dbraw/zinc/56/30/90/341563090.db2.gz GUSVVVCFLSAWFJ-SFHVURJKSA-N 2 0 318.509 3.887 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(C)C ZINC000567752731 341631691 /nfs/dbraw/zinc/63/16/91/341631691.db2.gz VYJAMCKTVFWYRK-UAGQMJEPSA-N 2 0 320.477 3.651 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000568354452 341667650 /nfs/dbraw/zinc/66/76/50/341667650.db2.gz YXMNXMBEXZERRJ-YRWFTTLQSA-N 2 0 316.489 3.718 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000568471450 341672223 /nfs/dbraw/zinc/67/22/23/341672223.db2.gz MCTJTLJLVISMEQ-CYBMUJFWSA-N 2 0 322.880 3.874 20 0 DHADRP CC(C)(C)CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000573711568 341736732 /nfs/dbraw/zinc/73/67/32/341736732.db2.gz MDLJLPOVOMYTFG-LPHOPBHVSA-N 2 0 302.462 3.658 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000573981619 341745041 /nfs/dbraw/zinc/74/50/41/341745041.db2.gz RLLDZYMYPXXSDN-LJQANCHMSA-N 2 0 316.489 3.739 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000576495008 341849238 /nfs/dbraw/zinc/84/92/38/341849238.db2.gz HVWGPEATARKVFD-RBUKOAKNSA-N 2 0 316.489 3.554 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000576784511 341863135 /nfs/dbraw/zinc/86/31/35/341863135.db2.gz LMJVNACLQZFHSI-MSOLQXFVSA-N 2 0 320.525 3.548 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000515013575 518180763 /nfs/dbraw/zinc/18/07/63/518180763.db2.gz ITBDMDOGHNJXCW-UZLBHIALSA-N 2 0 324.468 3.965 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000126071768 519673208 /nfs/dbraw/zinc/67/32/08/519673208.db2.gz OVKBCPSJAMKPGC-UHFFFAOYSA-N 2 0 319.880 3.826 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000337346104 519773318 /nfs/dbraw/zinc/77/33/18/519773318.db2.gz VTZRCZLLISUHJD-MSOLQXFVSA-N 2 0 318.505 3.822 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159175657 523297042 /nfs/dbraw/zinc/29/70/42/523297042.db2.gz SSVNBMSUFWFMLS-OXQOHEQNSA-N 2 0 316.489 3.716 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389414 523822612 /nfs/dbraw/zinc/82/26/12/523822612.db2.gz RYMSUCVHGBZHLP-ZIAGYGMSSA-N 2 0 304.400 3.525 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1ccc(OCC3CC3)cc1)C2 ZINC000191221823 524031425 /nfs/dbraw/zinc/03/14/25/524031425.db2.gz GACCHMYGJAXRQA-YQQQUEKLSA-N 2 0 314.473 3.580 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccn2)CC1 ZINC000158863651 524097295 /nfs/dbraw/zinc/09/72/95/524097295.db2.gz NEHKHUUJXLBDAE-QGZVFWFLSA-N 2 0 301.478 3.558 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000188776643 525684689 /nfs/dbraw/zinc/68/46/89/525684689.db2.gz QXIBAZLNUDYPTO-UHOFOFEASA-N 2 0 312.379 3.983 20 0 DHADRP Fc1ccc2oc(C[NH2+]CCCCC[NH+]3CCCC3)cc2c1 ZINC000339504894 526378449 /nfs/dbraw/zinc/37/84/49/526378449.db2.gz LTMIQFZJCPJKIV-UHFFFAOYSA-N 2 0 304.409 3.928 20 0 DHADRP c1cnc2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000129212080 526544351 /nfs/dbraw/zinc/54/43/51/526544351.db2.gz BAZXHFQCXKGUFJ-IBGZPJMESA-N 2 0 309.457 3.685 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297913827 535176838 /nfs/dbraw/zinc/17/68/38/535176838.db2.gz WSXBRLSSKLJHGD-GDBMZVCRSA-N 2 0 321.896 3.822 20 0 DHADRP CC1(c2ccccc2)CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298242728 535206510 /nfs/dbraw/zinc/20/65/10/535206510.db2.gz CODBQSJMKXCFKA-UHFFFAOYSA-N 2 0 321.468 3.760 20 0 DHADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425986977 1013049582 /nfs/dbraw/zinc/04/95/82/1013049582.db2.gz XUIVESQGOPZDOR-YTQUADARSA-N 2 0 314.517 3.656 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180448179 1013090140 /nfs/dbraw/zinc/09/01/40/1013090140.db2.gz HNJGNAFFJRMBGM-NRFANRHFSA-N 2 0 323.484 3.883 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000044533225 1013099681 /nfs/dbraw/zinc/09/96/81/1013099681.db2.gz XIYPJWGDCCTENP-HNNXBMFYSA-N 2 0 300.471 3.847 20 0 DHADRP C[NH+](C)C1CCC(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC001168294671 1032067684 /nfs/dbraw/zinc/06/76/84/1032067684.db2.gz AWTVMKOZJKBZOM-UHFFFAOYSA-N 2 0 303.494 3.642 20 0 DHADRP Cc1ccccc1[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccncc1 ZINC001168290802 1032069672 /nfs/dbraw/zinc/06/96/72/1032069672.db2.gz ZHEVCCUHCCXEHI-GRERDSQWSA-N 2 0 323.484 3.942 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037649117 1013205827 /nfs/dbraw/zinc/20/58/27/1013205827.db2.gz PLEPICBSSOILGR-STQMWFEESA-N 2 0 323.278 3.584 20 0 DHADRP Cc1ccc(CC[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1 ZINC001280231465 1013216126 /nfs/dbraw/zinc/21/61/26/1013216126.db2.gz MPCPWGBTKHAMQA-UHFFFAOYSA-N 2 0 312.501 3.878 20 0 DHADRP C[NH2+]Cc1cn(-c2cc(N3CCCC3)cc[nH+]2)c2ccc(C)cc12 ZINC001167123515 1013225131 /nfs/dbraw/zinc/22/51/31/1013225131.db2.gz KZRAHYVYSAKCTE-UHFFFAOYSA-N 2 0 320.440 3.654 20 0 DHADRP Fc1cc(F)cc([C@H]2CCCN2CCC[NH+]2CCCCC2)c1 ZINC001209453039 1013296390 /nfs/dbraw/zinc/29/63/90/1013296390.db2.gz DLGZNFCXHRTHIZ-GOSISDBHSA-N 2 0 308.416 3.978 20 0 DHADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1(CC2CCC2)CC1 ZINC001167974864 1013416563 /nfs/dbraw/zinc/41/65/63/1013416563.db2.gz CNNUHGPGZODYIC-YQQQUEKLSA-N 2 0 302.506 3.952 20 0 DHADRP CSc1ccc(CN2CCC(Oc3ccncc3C)CC2)o1 ZINC000894582458 1013427485 /nfs/dbraw/zinc/42/74/85/1013427485.db2.gz TYOVBOYCLFQRTC-UHFFFAOYSA-N 2 0 318.442 3.748 20 0 DHADRP c1cncc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167982842 1013479312 /nfs/dbraw/zinc/47/93/12/1013479312.db2.gz CESLQAVXASAINM-XNMUZJSGSA-N 2 0 311.473 3.624 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)c2cccs2)C1 ZINC000519717261 1013597776 /nfs/dbraw/zinc/59/77/76/1013597776.db2.gz WWGMJCIGBSWZJJ-IXDOHACOSA-N 2 0 300.471 3.891 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CS1 ZINC000655703193 1013654843 /nfs/dbraw/zinc/65/48/43/1013654843.db2.gz NFYSLURWHADYTA-QRQLOZEOSA-N 2 0 318.530 3.772 20 0 DHADRP CSC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925096119 1013655771 /nfs/dbraw/zinc/65/57/71/1013655771.db2.gz MZYKVHQTGXSGHQ-UXDRXVOSSA-N 2 0 318.530 3.913 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655721149 1013664872 /nfs/dbraw/zinc/66/48/72/1013664872.db2.gz LRUAYDATESWTAY-KSSFIOAISA-N 2 0 321.428 3.563 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281225 1013695580 /nfs/dbraw/zinc/69/55/80/1013695580.db2.gz PLEICSJVMVTXDF-HNAYVOBHSA-N 2 0 311.473 3.785 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000655806017 1013728445 /nfs/dbraw/zinc/72/84/45/1013728445.db2.gz XAEAXFMKPQTFMT-BVPBIZIASA-N 2 0 306.881 3.906 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000655805682 1013728560 /nfs/dbraw/zinc/72/85/60/1013728560.db2.gz KERHWQGRZZOZTO-LJISPDSOSA-N 2 0 317.502 3.718 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000655806648 1013725269 /nfs/dbraw/zinc/72/52/69/1013725269.db2.gz YVMUVQIHISMLCP-QINHECLXSA-N 2 0 309.457 3.739 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000655806650 1013725692 /nfs/dbraw/zinc/72/56/92/1013725692.db2.gz YVMUVQIHISMLCP-TWOQFEAHSA-N 2 0 309.457 3.739 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803674 1013727029 /nfs/dbraw/zinc/72/70/29/1013727029.db2.gz BOUXTIXGYMLVSY-KCQAQPDRSA-N 2 0 314.395 3.566 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2)n1 ZINC000655803843 1013727767 /nfs/dbraw/zinc/72/77/67/1013727767.db2.gz DZLAUDUQUZTMSH-OFQRWUPVSA-N 2 0 315.486 3.801 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCCCO1 ZINC000655849410 1013775270 /nfs/dbraw/zinc/77/52/70/1013775270.db2.gz OOCXBAUBZOBMDH-OJAHFUOMSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978151 1013785720 /nfs/dbraw/zinc/78/57/20/1013785720.db2.gz NHGLBRFGVQAURS-VNQPRFMTSA-N 2 0 308.416 3.737 20 0 DHADRP COCC1(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000340439255 1013791486 /nfs/dbraw/zinc/79/14/86/1013791486.db2.gz IPGGMLBFXGXFGG-IEBWSBKVSA-N 2 0 322.537 3.826 20 0 DHADRP COC1(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000340442002 1013796064 /nfs/dbraw/zinc/79/60/64/1013796064.db2.gz SQUQWKQBJBTZBN-FUHWJXTLSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000315752289 1013810204 /nfs/dbraw/zinc/81/02/04/1013810204.db2.gz PSMBMVWCBNAFIE-WMLDXEAASA-N 2 0 304.478 3.921 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000655941634 1013838962 /nfs/dbraw/zinc/83/89/62/1013838962.db2.gz YBTZQMNFBZQDTP-HKUYNNGSSA-N 2 0 316.489 3.783 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000655941575 1013839150 /nfs/dbraw/zinc/83/91/50/1013839150.db2.gz XIWACMMORHRJQR-ZWKOTPCHSA-N 2 0 316.489 3.640 20 0 DHADRP CC1(C)CC([NH2+][C@H]2CCCc3c(O)cccc32)CC(C)(C)[NH2+]1 ZINC000340471463 1013839479 /nfs/dbraw/zinc/83/94/79/1013839479.db2.gz WZMCHCLRCZUQKR-INIZCTEOSA-N 2 0 302.462 3.668 20 0 DHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340476625 1013859290 /nfs/dbraw/zinc/85/92/90/1013859290.db2.gz IOWZSTDPCHOMAJ-SFHVURJKSA-N 2 0 320.452 3.895 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C(C)(C)C ZINC000340475770 1013859542 /nfs/dbraw/zinc/85/95/42/1013859542.db2.gz ASPHUBRDUMCTLM-ROUUACIJSA-N 2 0 304.478 3.726 20 0 DHADRP Cc1occc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683690276 1013854364 /nfs/dbraw/zinc/85/43/64/1013854364.db2.gz GCDIHWJFDJOGGH-OWZKRDHZSA-N 2 0 310.441 3.873 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccncc2F)c1 ZINC000340480948 1013866104 /nfs/dbraw/zinc/86/61/04/1013866104.db2.gz XVRFJXVZFPEWJZ-CQSZACIVSA-N 2 0 301.409 3.523 20 0 DHADRP F[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340525585 1013917151 /nfs/dbraw/zinc/91/71/51/1013917151.db2.gz WRZVNFWMQGANOV-HDDXRBDOSA-N 2 0 302.437 3.662 20 0 DHADRP c1cn(-c2ccccc2C[NH2+]Cc2ccc3cnccc3c2)cn1 ZINC000683766893 1013970914 /nfs/dbraw/zinc/97/09/14/1013970914.db2.gz UHCSOEFYZJBVSX-UHFFFAOYSA-N 2 0 314.392 3.710 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000683822395 1014043118 /nfs/dbraw/zinc/04/31/18/1014043118.db2.gz PYCBJBHNGJNPLF-UWVGGRQHSA-N 2 0 321.412 3.543 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(=O)c2ccc(Cl)cc2)CC1 ZINC001173104613 1033543149 /nfs/dbraw/zinc/54/31/49/1033543149.db2.gz JMVPGWJCIIVJOC-UHFFFAOYSA-N 2 0 322.880 3.765 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2cn1 ZINC000683831837 1014056301 /nfs/dbraw/zinc/05/63/01/1014056301.db2.gz JICCOQDAZHBMTP-CTNGQTDRSA-N 2 0 321.468 3.684 20 0 DHADRP C[NH+]1CCC2(CC[N@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC001137686831 1014213529 /nfs/dbraw/zinc/21/35/29/1014213529.db2.gz UIQWLHFTHGDKSC-UHFFFAOYSA-N 2 0 300.471 3.819 20 0 DHADRP CCc1onc(C)c1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001167424153 1014255632 /nfs/dbraw/zinc/25/56/32/1014255632.db2.gz CHIWBTFZMWTQFS-RDJZCZTQSA-N 2 0 319.493 3.632 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000047978354 1014268999 /nfs/dbraw/zinc/26/89/99/1014268999.db2.gz QCJVXLJPJBRHHJ-UHFFFAOYSA-N 2 0 300.899 3.955 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000656268407 1014274073 /nfs/dbraw/zinc/27/40/73/1014274073.db2.gz CLUJHIHWQWLLFY-HEHGZKQESA-N 2 0 314.395 3.739 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429368 1014281897 /nfs/dbraw/zinc/28/18/97/1014281897.db2.gz ISPCXEMLFRJKFS-UYAOXDASSA-N 2 0 312.501 3.914 20 0 DHADRP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2cc(F)ccc2[nH+]1 ZINC000133533546 1014297660 /nfs/dbraw/zinc/29/76/60/1014297660.db2.gz AZUXAGBCRYCIGG-RDTXWAMCSA-N 2 0 313.420 3.603 20 0 DHADRP C[C@@H]1Cc2ccccc2C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002915 1014342455 /nfs/dbraw/zinc/34/24/55/1014342455.db2.gz FKBCRFULEHVWDX-OCVOVZGFSA-N 2 0 310.485 3.839 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC[NH+](C)CC1 ZINC000580863138 1014410969 /nfs/dbraw/zinc/41/09/69/1014410969.db2.gz PAUJDWYBKAJBKJ-NVXWUHKLSA-N 2 0 318.530 3.960 20 0 DHADRP C[C@@H]1CC([NH2+]C2(C)CCOCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006680 1014422384 /nfs/dbraw/zinc/42/23/84/1014422384.db2.gz OBTHOCIHYZAGJV-IAGOWNOFSA-N 2 0 316.489 3.587 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(C2CCCCC2)cc1 ZINC000665236117 1014507129 /nfs/dbraw/zinc/50/71/29/1014507129.db2.gz HWLUROJEWFUEKK-FQEVSTJZSA-N 2 0 318.505 3.620 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665239008 1014512356 /nfs/dbraw/zinc/51/23/56/1014512356.db2.gz KBIVJLLBHJYRBD-KSMMKXTCSA-N 2 0 303.494 3.962 20 0 DHADRP c1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccnc2c1 ZINC000665239226 1014514183 /nfs/dbraw/zinc/51/41/83/1014514183.db2.gz OEOCUGBXSHCATC-HLAWJBBLSA-N 2 0 323.484 3.678 20 0 DHADRP c1ccc2c(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccnc2c1 ZINC000665239228 1014514605 /nfs/dbraw/zinc/51/46/05/1014514605.db2.gz OEOCUGBXSHCATC-SESVDKBCSA-N 2 0 323.484 3.678 20 0 DHADRP CC1(C)CC(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000665246036 1014532764 /nfs/dbraw/zinc/53/27/64/1014532764.db2.gz XISCBQXRGLAHGE-RCCFBDPRSA-N 2 0 322.537 3.586 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000581112152 1014566623 /nfs/dbraw/zinc/56/66/23/1014566623.db2.gz ADMRSQSBLMFXEG-MNZLEMJZSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168010934 1014567387 /nfs/dbraw/zinc/56/73/87/1014567387.db2.gz LLJGBMDGCRBOAJ-HNJRGHQBSA-N 2 0 316.489 3.587 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC(OC(C)C)C2)c1 ZINC000428072546 1014575238 /nfs/dbraw/zinc/57/52/38/1014575238.db2.gz ARIYKYFYLPWHPK-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000665272306 1014633161 /nfs/dbraw/zinc/63/31/61/1014633161.db2.gz CBYPTHOYVHAHKE-IUCAKERBSA-N 2 0 308.310 3.755 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279855 1014662099 /nfs/dbraw/zinc/66/20/99/1014662099.db2.gz NQZVCKJNKDEQSK-BQTBQCLESA-N 2 0 311.473 3.566 20 0 DHADRP Clc1cccc([C@H]2CCC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)c1 ZINC000665279421 1014666068 /nfs/dbraw/zinc/66/60/68/1014666068.db2.gz BYGXLUNXLRBNJA-LVMNEVGRSA-N 2 0 304.865 3.708 20 0 DHADRP CC(C)c1cccc(NC(=[NH2+])NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000361805377 1032105243 /nfs/dbraw/zinc/10/52/43/1032105243.db2.gz ZROABPDYZLCDAC-DODVFSASSA-N 2 0 314.477 3.619 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000581493141 1014928907 /nfs/dbraw/zinc/92/89/07/1014928907.db2.gz HECFFKUTQFWYOA-GOSISDBHSA-N 2 0 323.569 3.741 20 0 DHADRP CC(C)(C[NH2+][C@@H](c1cccnc1)C1CCC1)C[NH+]1CCCC1 ZINC000280849158 1014955506 /nfs/dbraw/zinc/95/55/06/1014955506.db2.gz MMULJXQGHSLVSB-GOSISDBHSA-N 2 0 301.478 3.634 20 0 DHADRP C[NH+](C)CC1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000341179725 1014963519 /nfs/dbraw/zinc/96/35/19/1014963519.db2.gz YAYUXRRTCVPWLX-UHFFFAOYSA-N 2 0 321.515 3.645 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC000558725666 1014979237 /nfs/dbraw/zinc/97/92/37/1014979237.db2.gz VRIPVOGBBKOMBI-WBAXXEDZSA-N 2 0 324.896 3.832 20 0 DHADRP Cc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656675495 1015053007 /nfs/dbraw/zinc/05/30/07/1015053007.db2.gz AWDJAHGAGWWNLA-QGZVFWFLSA-N 2 0 316.489 3.537 20 0 DHADRP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000443648407 1015071832 /nfs/dbraw/zinc/07/18/32/1015071832.db2.gz YSFOCVFVUZMPID-UYAOXDASSA-N 2 0 320.521 3.556 20 0 DHADRP C[C@H]1CC([NH2+]C(C)(C)C(C)(C)O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025027 1015090332 /nfs/dbraw/zinc/09/03/32/1015090332.db2.gz AHYFRKFSHULJNF-HOTGVXAUSA-N 2 0 318.505 3.567 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000341280506 1015131572 /nfs/dbraw/zinc/13/15/72/1015131572.db2.gz VKKBALIDOXMMJX-AEFFLSMTSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788624 1015164153 /nfs/dbraw/zinc/16/41/53/1015164153.db2.gz ACSABNRFIUGCLZ-CYBMUJFWSA-N 2 0 314.395 3.888 20 0 DHADRP CCCn1nc(C)c(C[N@H+](C)CCCC[NH+]2CCCCC2)c1C ZINC000895683950 1015263211 /nfs/dbraw/zinc/26/32/11/1015263211.db2.gz YSWHJHXPSUGMMA-UHFFFAOYSA-N 2 0 320.525 3.608 20 0 DHADRP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)c1 ZINC000581726613 1015277484 /nfs/dbraw/zinc/27/74/84/1015277484.db2.gz VEXKFILHDDAJGW-LSDHHAIUSA-N 2 0 316.445 3.596 20 0 DHADRP Clc1ccccc1OCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157475366 1015301676 /nfs/dbraw/zinc/30/16/76/1015301676.db2.gz XQBRYOGZDVPOEE-INIZCTEOSA-N 2 0 322.880 3.669 20 0 DHADRP Cc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c2c(n1)CCCC2 ZINC000895820925 1015318086 /nfs/dbraw/zinc/31/80/86/1015318086.db2.gz CAHYPSCFXJCNJH-UHFFFAOYSA-N 2 0 315.505 3.621 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1OC(F)F ZINC000581824877 1015346282 /nfs/dbraw/zinc/34/62/82/1015346282.db2.gz IEGFEJBLFXHIAK-LLVKDONJSA-N 2 0 324.346 3.737 20 0 DHADRP C[NH+](C)CC[C@H](Nc1cc[nH+]c2cc(F)ccc12)c1cccnc1 ZINC000895892464 1015349826 /nfs/dbraw/zinc/34/98/26/1015349826.db2.gz QHAQKTIGLAFPAQ-KRWDZBQOSA-N 2 0 324.403 3.874 20 0 DHADRP CC(C)C[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000474463338 1015380719 /nfs/dbraw/zinc/38/07/19/1015380719.db2.gz YWQPGBHHGHVTEB-IEBWSBKVSA-N 2 0 300.490 3.890 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000474488397 1015390809 /nfs/dbraw/zinc/39/08/09/1015390809.db2.gz MKRVQXLPHHRQEI-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168037469 1015470043 /nfs/dbraw/zinc/47/00/43/1015470043.db2.gz YQZXSJKFYDWPIJ-JEIKXUOUSA-N 2 0 316.489 3.585 20 0 DHADRP C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)[C@@H](C)C1CCCCC1 ZINC000474729494 1015567244 /nfs/dbraw/zinc/56/72/44/1015567244.db2.gz WRLHANLTDIKXHO-QZTJIDSGSA-N 2 0 322.537 3.826 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000341614144 1015594207 /nfs/dbraw/zinc/59/42/07/1015594207.db2.gz AXDRCYYSCLFMNC-RDJZCZTQSA-N 2 0 320.477 3.619 20 0 DHADRP COC1CC[NH+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168042024 1015619324 /nfs/dbraw/zinc/61/93/24/1015619324.db2.gz XVLKLQPTUZBFLK-IZZQQSIFSA-N 2 0 316.489 3.539 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000262331251 1015768524 /nfs/dbraw/zinc/76/85/24/1015768524.db2.gz SLUFFYKVIMAXCG-IPMKNSEASA-N 2 0 300.490 3.865 20 0 DHADRP Cc1nccn1CC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000346324417 1015826308 /nfs/dbraw/zinc/82/63/08/1015826308.db2.gz LMZWBBROIAJREE-UHFFFAOYSA-N 2 0 317.864 3.800 20 0 DHADRP C[NH+](C)C1CCC(n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001168304103 1032130057 /nfs/dbraw/zinc/13/00/57/1032130057.db2.gz PGRDNJRXFVGLHG-FHERZECASA-N 2 0 311.473 3.503 20 0 DHADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000277122343 1015897086 /nfs/dbraw/zinc/89/70/86/1015897086.db2.gz HVHUQTFDPQNZQR-CQSZACIVSA-N 2 0 314.445 3.917 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684614332 1015910921 /nfs/dbraw/zinc/91/09/21/1015910921.db2.gz VHGBHJFTLJQWOU-OALUTQOASA-N 2 0 321.553 3.517 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277175739 1016010205 /nfs/dbraw/zinc/01/02/05/1016010205.db2.gz KWUGKMHMKFHRNK-HIFRSBDPSA-N 2 0 312.404 3.765 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000151104587 1016019158 /nfs/dbraw/zinc/01/91/58/1016019158.db2.gz FDZITZVDIXKDNE-FUHWJXTLSA-N 2 0 302.462 3.530 20 0 DHADRP CC(C)CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000361891482 1032144738 /nfs/dbraw/zinc/14/47/38/1032144738.db2.gz XNLDTKCXKJKYRP-IBGZPJMESA-N 2 0 318.505 3.600 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000934230494 1016285311 /nfs/dbraw/zinc/28/53/11/1016285311.db2.gz RDSYQRMOYABCGB-GOSISDBHSA-N 2 0 323.484 3.788 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657315907 1016314116 /nfs/dbraw/zinc/31/41/16/1016314116.db2.gz TXCDMPFEAXLHIT-MRXNPFEDSA-N 2 0 300.471 3.847 20 0 DHADRP CCN1CCC([NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000281220935 1016404456 /nfs/dbraw/zinc/40/44/56/1016404456.db2.gz LRINLKAKRVGZBN-CYBMUJFWSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCCO1 ZINC000346505249 1016411810 /nfs/dbraw/zinc/41/18/10/1016411810.db2.gz XLALLLFPBNWYDY-ZWOKBUDYSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000346651117 1016484440 /nfs/dbraw/zinc/48/44/40/1016484440.db2.gz GYMVCUPVTQZATA-TZMCWYRMSA-N 2 0 304.434 3.723 20 0 DHADRP C[NH+](C)Cc1ccc(F)c(-c2ccc3c(c2)[C@H]([NH3+])CSC3)c1 ZINC000629736950 1016634390 /nfs/dbraw/zinc/63/43/90/1016634390.db2.gz MVLQTHLNMYLCRY-GOSISDBHSA-N 2 0 316.445 3.801 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000347017830 1016690221 /nfs/dbraw/zinc/69/02/21/1016690221.db2.gz KORFPIKZSAVNTG-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP CCC[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347032312 1016702405 /nfs/dbraw/zinc/70/24/05/1016702405.db2.gz ZSKHKLZBGVUYJN-UHFFFAOYSA-N 2 0 316.367 3.549 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000347056556 1016708831 /nfs/dbraw/zinc/70/88/31/1016708831.db2.gz VLKVOCDNYOFWDF-HOCLYGCPSA-N 2 0 300.471 3.974 20 0 DHADRP C[C@@H](c1cccc(Br)c1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402881449 1016714113 /nfs/dbraw/zinc/71/41/13/1016714113.db2.gz FEJGHMQGGVHYNM-NOLJZWGESA-N 2 0 323.278 3.571 20 0 DHADRP CCCN(Cc1cnc(-c2cccs2)s1)C1CC[NH2+]CC1 ZINC000347173473 1016771447 /nfs/dbraw/zinc/77/14/47/1016771447.db2.gz OUKXHXAXCPMPSI-UHFFFAOYSA-N 2 0 321.515 3.836 20 0 DHADRP COc1ccc([C@@H]2CCCCC[N@@H+]2CCn2ccnc2C)cc1 ZINC000342574015 1016789845 /nfs/dbraw/zinc/78/98/45/1016789845.db2.gz HLCOZAGJJCBGET-IBGZPJMESA-N 2 0 313.445 3.817 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000655700924 1016871625 /nfs/dbraw/zinc/87/16/25/1016871625.db2.gz RBQUFYVSYPUUGR-APWZRJJASA-N 2 0 318.530 3.772 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000896952677 1016957693 /nfs/dbraw/zinc/95/76/93/1016957693.db2.gz YZDBASLTQWSDDV-UHFFFAOYSA-N 2 0 318.509 3.577 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)CC1(C)C ZINC000623340830 1016972906 /nfs/dbraw/zinc/97/29/06/1016972906.db2.gz BCGANFSMQMADFX-AWEZNQCLSA-N 2 0 312.910 3.895 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000623346087 1016974673 /nfs/dbraw/zinc/97/46/73/1016974673.db2.gz DQPYECWEWYIVAQ-TZMCWYRMSA-N 2 0 312.404 3.811 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623358892 1016984972 /nfs/dbraw/zinc/98/49/72/1016984972.db2.gz XSVNXCZBFIWJRY-RDJZCZTQSA-N 2 0 304.478 3.997 20 0 DHADRP Cc1nccn1CCCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623429915 1017043250 /nfs/dbraw/zinc/04/32/50/1017043250.db2.gz UTYQOFGAWCZYQO-UHFFFAOYSA-N 2 0 313.779 3.693 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC1(C)C ZINC000623469828 1017060549 /nfs/dbraw/zinc/06/05/49/1017060549.db2.gz SOGSHAGBQXKTHY-GOSISDBHSA-N 2 0 309.457 3.711 20 0 DHADRP Cc1ccc(CC2(C[NH2+]C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168306154 1032153044 /nfs/dbraw/zinc/15/30/44/1032153044.db2.gz UBQBFCUKVBCFRY-UHFFFAOYSA-N 2 0 300.490 3.780 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1(C)C ZINC000623496359 1017078929 /nfs/dbraw/zinc/07/89/29/1017078929.db2.gz RXGRMNIYHOXPTJ-HUUCEWRRSA-N 2 0 314.395 3.795 20 0 DHADRP Cc1ccc(OC2CC[NH+](C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168322435 1032264587 /nfs/dbraw/zinc/26/45/87/1032264587.db2.gz BLZFEYAOJWQERS-UHFFFAOYSA-N 2 0 316.489 3.711 20 0 DHADRP COc1ccc(Cl)c2c1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CC2 ZINC001171297372 1032283311 /nfs/dbraw/zinc/28/33/11/1032283311.db2.gz FWMTWBATUQHPRV-ZDUSSCGKSA-N 2 0 324.896 3.526 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000537615850 1032289331 /nfs/dbraw/zinc/28/93/31/1032289331.db2.gz QCLDAMHGTLZYNX-VQIMIIECSA-N 2 0 304.478 3.638 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC001171309548 1032315700 /nfs/dbraw/zinc/31/57/00/1032315700.db2.gz YSMSRRZWEBCDSF-OALUTQOASA-N 2 0 304.453 3.707 20 0 DHADRP C[N@@H+]1CC[C@H](c2ccc(-n3c(CC[NH3+])cc4ccccc43)cc2)C1 ZINC001171310802 1032316195 /nfs/dbraw/zinc/31/61/95/1032316195.db2.gz FHANYUCVYLODTC-SFHVURJKSA-N 2 0 319.452 3.551 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171336162 1032438407 /nfs/dbraw/zinc/43/84/07/1032438407.db2.gz AKGALPUAYKVZKC-PBHICJAKSA-N 2 0 324.459 3.922 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340083 1032449861 /nfs/dbraw/zinc/44/98/61/1032449861.db2.gz HQBNBULWDJOXNC-OAHLLOKOSA-N 2 0 322.443 3.802 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000684952957 1017082552 /nfs/dbraw/zinc/08/25/52/1017082552.db2.gz AVABDDMVRMXROD-SJLPKXTDSA-N 2 0 301.478 3.703 20 0 DHADRP c1cc2c(cccc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)[nH]1 ZINC000092066990 1032473141 /nfs/dbraw/zinc/47/31/41/1032473141.db2.gz JFYURHQIVVRSAN-UZLBHIALSA-N 2 0 309.457 3.617 20 0 DHADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000684957305 1017094265 /nfs/dbraw/zinc/09/42/65/1017094265.db2.gz RMWKLXGCNKVGLP-SFHVURJKSA-N 2 0 301.478 3.705 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684958005 1017097176 /nfs/dbraw/zinc/09/71/76/1017097176.db2.gz SDGVHKMCCHAOGC-LJQANCHMSA-N 2 0 315.505 3.807 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000121986272 1032497898 /nfs/dbraw/zinc/49/78/98/1032497898.db2.gz TZQZFAYIXQYOFQ-BQFCYCMXSA-N 2 0 310.526 3.823 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171361494 1032515730 /nfs/dbraw/zinc/51/57/30/1032515730.db2.gz YNFXCNWBFJUKQU-IMRCBTMISA-N 2 0 322.443 3.532 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171397025 1032579909 /nfs/dbraw/zinc/57/99/09/1032579909.db2.gz NYZGSMMHPAXPGL-NUJGCVRESA-N 2 0 318.480 3.641 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171395779 1032579130 /nfs/dbraw/zinc/57/91/30/1032579130.db2.gz IFLRBVWBZSUGBL-QGZVFWFLSA-N 2 0 304.453 3.667 20 0 DHADRP Clc1cccc(OCCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353065 1032586239 /nfs/dbraw/zinc/58/62/39/1032586239.db2.gz IZJMRTJOPOTXTG-UHFFFAOYSA-N 2 0 322.880 3.573 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171403587 1032590522 /nfs/dbraw/zinc/59/05/22/1032590522.db2.gz ZBUAMLIBOAWXOG-OAHLLOKOSA-N 2 0 304.453 3.663 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C(C)C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC000424265706 1011952927 /nfs/dbraw/zinc/95/29/27/1011952927.db2.gz KGPVISSBYWVRFH-UJMXGEILSA-N 2 0 322.537 3.680 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1CCCc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424302292 1011966335 /nfs/dbraw/zinc/96/63/35/1011966335.db2.gz ZDMPUUSYCJIFMD-OAHLLOKOSA-N 2 0 306.881 3.737 20 0 DHADRP COc1ccccc1-c1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647530910 1011967037 /nfs/dbraw/zinc/96/70/37/1011967037.db2.gz OINFXWOUILAWSL-UHFFFAOYSA-N 2 0 310.441 3.675 20 0 DHADRP Cc1ccc2cc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)ccc2n1 ZINC000424371665 1012013067 /nfs/dbraw/zinc/01/30/67/1012013067.db2.gz DXERCMRHFSTRIP-INIZCTEOSA-N 2 0 309.457 3.507 20 0 DHADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546094 1012094918 /nfs/dbraw/zinc/09/49/18/1012094918.db2.gz IFLAGHRWAHAIJI-RBUKOAKNSA-N 2 0 300.490 3.908 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1SC ZINC000643546856 1012104048 /nfs/dbraw/zinc/10/40/48/1012104048.db2.gz VWOXDTSHBWNKBA-ZFWWWQNUSA-N 2 0 320.502 3.742 20 0 DHADRP COc1cccc2cc(C[NH+]3CCC(CC[NH+](C)C)CC3)oc21 ZINC000092381037 1012232177 /nfs/dbraw/zinc/23/21/77/1012232177.db2.gz BCPXBDBFVQDVNK-UHFFFAOYSA-N 2 0 316.445 3.605 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000666955529 1032612183 /nfs/dbraw/zinc/61/21/83/1032612183.db2.gz WUCTXIGLMHBQPL-SWLSCSKDSA-N 2 0 312.379 3.541 20 0 DHADRP CC(C)(C[NH2+][C@H](c1cccnc1)C1CCC1)C[NH+]1CCCC1 ZINC000280849170 1012280443 /nfs/dbraw/zinc/28/04/43/1012280443.db2.gz MMULJXQGHSLVSB-SFHVURJKSA-N 2 0 301.478 3.634 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCc2c(F)cccc2C1)CC(C)(C)CC[NH3+] ZINC001171411954 1032615345 /nfs/dbraw/zinc/61/53/45/1032615345.db2.gz PUBGADUTXKRJAO-HOCLYGCPSA-N 2 0 306.469 3.674 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+]([C@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167956461 1012341005 /nfs/dbraw/zinc/34/10/05/1012341005.db2.gz QIWMOYXNLBSXKI-IVAOSVALSA-N 2 0 310.485 3.773 20 0 DHADRP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001280093832 1012382937 /nfs/dbraw/zinc/38/29/37/1012382937.db2.gz WOIDLZCTQNCDMN-WDSOQIARSA-N 2 0 301.478 3.951 20 0 DHADRP C[C@H]1C[C@H]([N@H+](C)CCCOc2cccc(Cl)c2)CCN1C ZINC000123140270 1032627710 /nfs/dbraw/zinc/62/77/10/1032627710.db2.gz LXSPUIIFJGXZOW-GOEBONIOSA-N 2 0 310.869 3.523 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000514828954 1012452668 /nfs/dbraw/zinc/45/26/68/1012452668.db2.gz YURNOLUZMADFBI-CRSSMBPESA-N 2 0 312.501 3.860 20 0 DHADRP CC(C)n1cncc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000425329790 1012457737 /nfs/dbraw/zinc/45/77/37/1012457737.db2.gz ANDRTNVCGJFTNI-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[NH+](C)CC1 ZINC000514852863 1012469349 /nfs/dbraw/zinc/46/93/49/1012469349.db2.gz XGUKMOBWZKFNIC-MRXNPFEDSA-N 2 0 324.921 3.744 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425363541 1012488534 /nfs/dbraw/zinc/48/85/34/1012488534.db2.gz WPHHJLMEXJYPJQ-WZGPROSRSA-N 2 0 318.530 3.771 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000514930472 1012512365 /nfs/dbraw/zinc/51/23/65/1012512365.db2.gz HZVBADWMORNPOP-LBPRGKRZSA-N 2 0 320.424 3.991 20 0 DHADRP Cn1ccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)ccc21 ZINC001167959410 1012557456 /nfs/dbraw/zinc/55/74/56/1012557456.db2.gz OSTCEABXZUQBCW-IHWFROFDSA-N 2 0 323.484 3.673 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC001202750113 1032642035 /nfs/dbraw/zinc/64/20/35/1032642035.db2.gz NXHSLGZUXFXTIJ-OAHLLOKOSA-N 2 0 316.420 3.907 20 0 DHADRP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000253354896 1012627345 /nfs/dbraw/zinc/62/73/45/1012627345.db2.gz QVNMPVGZFOTXNM-VQTJNVASSA-N 2 0 314.473 3.523 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)ccc2c1 ZINC000324218114 1012633628 /nfs/dbraw/zinc/63/36/28/1012633628.db2.gz RAFHAGICTGCTLI-FPOVZHCZSA-N 2 0 324.468 3.812 20 0 DHADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000154447481 1012724574 /nfs/dbraw/zinc/72/45/74/1012724574.db2.gz RPYDIMMQNWRSJN-HXUWFJFHSA-N 2 0 317.521 3.535 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(F)ccc1F ZINC000123601946 1032653815 /nfs/dbraw/zinc/65/38/15/1032653815.db2.gz CCMGEUVGBFRGIS-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000579866060 1012762215 /nfs/dbraw/zinc/76/22/15/1012762215.db2.gz GGHXXHZMRWCZTJ-YESZJQIVSA-N 2 0 308.416 3.761 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000517168226 1012922015 /nfs/dbraw/zinc/92/20/15/1012922015.db2.gz UVWYJXUKTHLQDI-QAPCUYQASA-N 2 0 310.441 3.674 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000666962206 1032670534 /nfs/dbraw/zinc/67/05/34/1032670534.db2.gz LLZZBLOJONHTJA-BDAKNGLRSA-N 2 0 307.652 3.864 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl)C[NH+](C)C ZINC000425918656 1012957653 /nfs/dbraw/zinc/95/76/53/1012957653.db2.gz ICNGOSKPRYRFBG-RYUDHWBXSA-N 2 0 303.277 3.712 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl)C[NH+](C)C ZINC000425918652 1012958866 /nfs/dbraw/zinc/95/88/66/1012958866.db2.gz ICNGOSKPRYRFBG-NEPJUHHUSA-N 2 0 303.277 3.712 20 0 DHADRP C[N@H+](CCc1ccc(Cl)cc1Cl)CC1CC[NH+](C)CC1 ZINC001209081189 1012979401 /nfs/dbraw/zinc/97/94/01/1012979401.db2.gz LKXCHQGEDXALEP-UHFFFAOYSA-N 2 0 315.288 3.810 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCc2ccc(Cl)cc2Cl)CC1 ZINC001209082444 1012979497 /nfs/dbraw/zinc/97/94/97/1012979497.db2.gz SEHVHYGXAVJXMQ-UHFFFAOYSA-N 2 0 315.288 3.810 20 0 DHADRP COCC[C@H](c1ccccc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000339869038 1012980846 /nfs/dbraw/zinc/98/08/46/1012980846.db2.gz YGYRJRZTDHOOMO-RTBURBONSA-N 2 0 304.478 3.570 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000366682682 1012984598 /nfs/dbraw/zinc/98/45/98/1012984598.db2.gz TZIIDPAQIVKHIP-QZTJIDSGSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000425950306 1012998120 /nfs/dbraw/zinc/99/81/20/1012998120.db2.gz JQQLODZLPMRUKZ-WFASDCNBSA-N 2 0 318.383 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCSCc2ccccc2)[C@H](C)C1 ZINC000535629236 1013018773 /nfs/dbraw/zinc/01/87/73/1013018773.db2.gz UWEOLMYPEKQNFQ-IEBWSBKVSA-N 2 0 320.546 3.972 20 0 DHADRP C[C@@H]([NH2+]CCc1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177726631 1017112049 /nfs/dbraw/zinc/11/20/49/1017112049.db2.gz QCAOCAIKSBOTQJ-OAHLLOKOSA-N 2 0 318.486 3.582 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000475287851 1017118543 /nfs/dbraw/zinc/11/85/43/1017118543.db2.gz PPSIGVFDAONVNL-SIKLNZKXSA-N 2 0 322.496 3.977 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1)CC(C)C ZINC000475311921 1017135756 /nfs/dbraw/zinc/13/57/56/1017135756.db2.gz AFTDRLVLTLRGET-MJGOQNOKSA-N 2 0 310.526 3.634 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000178036434 1017151984 /nfs/dbraw/zinc/15/19/84/1017151984.db2.gz NGHQARCIHPZNTG-OWCLPIDISA-N 2 0 310.507 3.678 20 0 DHADRP COC1CC(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000657528220 1017190363 /nfs/dbraw/zinc/19/03/63/1017190363.db2.gz SNAVHRMKGAIURM-UHFFFAOYSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000282001469 1017226828 /nfs/dbraw/zinc/22/68/28/1017226828.db2.gz DALNDDNNDOMBDZ-HNNXBMFYSA-N 2 0 313.445 3.859 20 0 DHADRP CC[C@@H](c1ccccc1)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007460 1017283463 /nfs/dbraw/zinc/28/34/63/1017283463.db2.gz HKRFALYCINOORT-FQEVSTJZSA-N 2 0 318.505 3.961 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834947 1017365321 /nfs/dbraw/zinc/36/53/21/1017365321.db2.gz YXOUCIVJYBWYMD-IBGZPJMESA-N 2 0 316.489 3.653 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000125492379 1032708541 /nfs/dbraw/zinc/70/85/41/1032708541.db2.gz ZUBSJUXGJODZDY-CQSZACIVSA-N 2 0 304.459 3.904 20 0 DHADRP CCC1CCC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000657612996 1017573403 /nfs/dbraw/zinc/57/34/03/1017573403.db2.gz SXKVDATZGQLGQL-UHFFFAOYSA-N 2 0 315.505 3.852 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+]C3CCCCCC3)CC2)ccn1 ZINC000657612986 1017573874 /nfs/dbraw/zinc/57/38/74/1017573874.db2.gz SQZRUYALFILCNF-UHFFFAOYSA-N 2 0 301.478 3.606 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCCO1 ZINC000623923649 1017588669 /nfs/dbraw/zinc/58/86/69/1017588669.db2.gz HKRRPYVYYJZVBZ-RGVPCPSESA-N 2 0 308.510 3.577 20 0 DHADRP CCCC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454014 1032715033 /nfs/dbraw/zinc/71/50/33/1032715033.db2.gz QNLLOJCYHGENTC-INIZCTEOSA-N 2 0 310.432 3.534 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000624120456 1017692362 /nfs/dbraw/zinc/69/23/62/1017692362.db2.gz ZNCHVWLLTTYABJ-KGLIPLIRSA-N 2 0 312.404 3.671 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124212 1017698457 /nfs/dbraw/zinc/69/84/57/1017698457.db2.gz ZXNAPRGNLLIMCJ-BEFAXECRSA-N 2 0 311.473 3.867 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)c1 ZINC000367194628 1017789578 /nfs/dbraw/zinc/78/95/78/1017789578.db2.gz ZZIKWFUGDBIMAW-CGTJXYLNSA-N 2 0 304.503 3.738 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000643344986 1017792320 /nfs/dbraw/zinc/79/23/20/1017792320.db2.gz DISWOUCTLNTFDN-ZIAGYGMSSA-N 2 0 312.860 3.732 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C(C)(C)C ZINC000523863574 1017810081 /nfs/dbraw/zinc/81/00/81/1017810081.db2.gz SUEPCJRWCNUEHM-HNNXBMFYSA-N 2 0 300.849 3.935 20 0 DHADRP CC(C)C[N@@H+](Cc1cnc(C2CC2)s1)CC1CC[NH+](C)CC1 ZINC000877767740 1033443448 /nfs/dbraw/zinc/44/34/48/1033443448.db2.gz VSCXOXBJOKNGMD-UHFFFAOYSA-N 2 0 321.534 3.820 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(Cn2ccnc2)cc1)Cc1ccccc1 ZINC000182052730 1017854652 /nfs/dbraw/zinc/85/46/52/1017854652.db2.gz XMVBMTVYCHIGEO-SFHVURJKSA-N 2 0 319.452 3.900 20 0 DHADRP CCc1ccccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000445805368 1017975904 /nfs/dbraw/zinc/97/59/04/1017975904.db2.gz JSWOPEPKIHMRLQ-UHFFFAOYSA-N 2 0 323.484 3.992 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183361509 1018014003 /nfs/dbraw/zinc/01/40/03/1018014003.db2.gz OQZWNFALQDZWJC-WMZOPIPTSA-N 2 0 306.469 3.811 20 0 DHADRP C[C@H](CCC1CCCC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067696 1018021267 /nfs/dbraw/zinc/02/12/67/1018021267.db2.gz PKKBAAYLJIJVNB-QGZVFWFLSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(C)n1 ZINC000123021918 1018037453 /nfs/dbraw/zinc/03/74/53/1018037453.db2.gz YCESGIVGXCHREN-HNNXBMFYSA-N 2 0 324.472 3.540 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123644517 1018098035 /nfs/dbraw/zinc/09/80/35/1018098035.db2.gz JIWSZEJLYDHFFM-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP CC(C)C1(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000674677928 1018102923 /nfs/dbraw/zinc/10/29/23/1018102923.db2.gz UTZXCSJQXPAWHM-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185715576 1018126356 /nfs/dbraw/zinc/12/63/56/1018126356.db2.gz IKXIDJBLSARZIB-IEBWSBKVSA-N 2 0 300.490 3.780 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658161318 1018178483 /nfs/dbraw/zinc/17/84/83/1018178483.db2.gz LSGZWTYBCXLGKJ-QAQDUYKDSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccs1 ZINC000658168526 1018201989 /nfs/dbraw/zinc/20/19/89/1018201989.db2.gz URKBWHOXXFJUMX-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000657745776 1018244671 /nfs/dbraw/zinc/24/46/71/1018244671.db2.gz XQSQFCXQPQRPQU-KTAKPFMOSA-N 2 0 316.424 3.582 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000446886417 1018289469 /nfs/dbraw/zinc/28/94/69/1018289469.db2.gz GJDPEGYNBWLNQH-LJQANCHMSA-N 2 0 318.505 3.549 20 0 DHADRP Cn1cncc1CC[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764402 1018292377 /nfs/dbraw/zinc/29/23/77/1018292377.db2.gz ZMPYIWNHCJDEAY-IBGZPJMESA-N 2 0 309.457 3.970 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000658236422 1018317192 /nfs/dbraw/zinc/31/71/92/1018317192.db2.gz VUJXHUVAWDIYGA-OXJNMPFZSA-N 2 0 300.490 3.860 20 0 DHADRP c1cn2c(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000427849671 1018339300 /nfs/dbraw/zinc/33/93/00/1018339300.db2.gz FZCOKDLBDIMYOM-VQTJNVASSA-N 2 0 323.484 3.979 20 0 DHADRP CCC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCOCC1 ZINC000925197332 1018410367 /nfs/dbraw/zinc/41/03/67/1018410367.db2.gz LVUMPAUBIZIZIM-MRXNPFEDSA-N 2 0 304.478 3.606 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCN2C)cc1 ZINC000174307095 1018414800 /nfs/dbraw/zinc/41/48/00/1018414800.db2.gz NJJVALUFIOPHLB-GOSISDBHSA-N 2 0 310.441 3.546 20 0 DHADRP c1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000383592804 1018418695 /nfs/dbraw/zinc/41/86/95/1018418695.db2.gz OFHJGHKXRBDEKO-YADHBBJMSA-N 2 0 320.480 3.683 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447567632 1018427935 /nfs/dbraw/zinc/42/79/35/1018427935.db2.gz CTQXMJBQPGLCIQ-DJJJIMSYSA-N 2 0 302.437 3.523 20 0 DHADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000447580741 1018438948 /nfs/dbraw/zinc/43/89/48/1018438948.db2.gz RGAKXAVVOLOSRH-HXUWFJFHSA-N 2 0 316.489 3.856 20 0 DHADRP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)o1 ZINC000536022649 1018454297 /nfs/dbraw/zinc/45/42/97/1018454297.db2.gz UEJRPMBICKHRPT-HNNXBMFYSA-N 2 0 322.412 3.753 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000925199911 1018457083 /nfs/dbraw/zinc/45/70/83/1018457083.db2.gz WYTBSFVRAJHXCK-HNAYVOBHSA-N 2 0 304.478 3.604 20 0 DHADRP CCN1CCC([N@H+](C)CCCc2c(F)cccc2Cl)CC1 ZINC000447795111 1018476910 /nfs/dbraw/zinc/47/69/10/1018476910.db2.gz LXERNNOQRZXLBM-UHFFFAOYSA-N 2 0 312.860 3.828 20 0 DHADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000447899097 1018500879 /nfs/dbraw/zinc/50/08/79/1018500879.db2.gz QJPOEFPPHGNJLH-IHRRRGAJSA-N 2 0 306.416 3.818 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000635006350 1018509330 /nfs/dbraw/zinc/50/93/30/1018509330.db2.gz MELGZTDGPRBYAN-LALPHHSUSA-N 2 0 300.368 3.874 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000635004352 1018509833 /nfs/dbraw/zinc/50/98/33/1018509833.db2.gz DBMPYZGXQPPJNE-WHOFXGATSA-N 2 0 310.894 3.984 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Br)s1 ZINC000635004401 1018510373 /nfs/dbraw/zinc/51/03/73/1018510373.db2.gz DFHYAAXWDCGUSF-DCAQKATOSA-N 2 0 317.296 3.679 20 0 DHADRP CC1(C)CC2(CC([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)CO1 ZINC000925204246 1018511942 /nfs/dbraw/zinc/51/19/42/1018511942.db2.gz FBJHKPJRMLVVIF-UHFFFAOYSA-N 2 0 320.521 3.721 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706348 1018521605 /nfs/dbraw/zinc/52/16/05/1018521605.db2.gz JBMVMUJXNIKTDW-SLFFLAALSA-N 2 0 316.489 3.528 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713296 1018546102 /nfs/dbraw/zinc/54/61/02/1018546102.db2.gz NDWUGJQSXSACGB-UHFFFAOYSA-N 2 0 310.441 3.581 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650713100 1018547527 /nfs/dbraw/zinc/54/75/27/1018547527.db2.gz FUUQYMDUDBFVLV-RTBURBONSA-N 2 0 316.489 3.829 20 0 DHADRP C[C@@H](C[NH2+]CCC1(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000650713867 1018549963 /nfs/dbraw/zinc/54/99/63/1018549963.db2.gz GWXZFFWCPMMQEL-LBPRGKRZSA-N 2 0 300.368 3.528 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722662 1018575404 /nfs/dbraw/zinc/57/54/04/1018575404.db2.gz YTPVBCYMDURRSJ-AQNXPRMDSA-N 2 0 316.489 3.671 20 0 DHADRP C[C@H]1C[C@@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC000650724848 1018582278 /nfs/dbraw/zinc/58/22/78/1018582278.db2.gz NGVKLGAJPJAZFI-STQMWFEESA-N 2 0 312.379 3.672 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675770028 1018584434 /nfs/dbraw/zinc/58/44/34/1018584434.db2.gz OMAZTMHJDWAOMA-OAHLLOKOSA-N 2 0 324.896 3.737 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000675786960 1018592716 /nfs/dbraw/zinc/59/27/16/1018592716.db2.gz NAWMAHDJLXQBAC-WOJBJXKFSA-N 2 0 318.505 3.549 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897592 1018620219 /nfs/dbraw/zinc/62/02/19/1018620219.db2.gz GRJKWRMDNORXBH-MAUKXSAKSA-N 2 0 322.880 3.525 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000675925504 1018625818 /nfs/dbraw/zinc/62/58/18/1018625818.db2.gz WUACSLHBKUGXDQ-VDGAXYAQSA-N 2 0 316.489 3.535 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2C)[C@H](C)C1 ZINC000675905745 1018629868 /nfs/dbraw/zinc/62/98/68/1018629868.db2.gz AFMVIBBOXQPGHG-MANSERQUSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745987 1018645443 /nfs/dbraw/zinc/64/54/43/1018645443.db2.gz SUHBJHREODESPW-CQSZACIVSA-N 2 0 312.910 3.929 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000926523623 1018654569 /nfs/dbraw/zinc/65/45/69/1018654569.db2.gz DYZKPPRGFKZLGQ-IEBWSBKVSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(OC(F)F)cc1 ZINC000650751822 1018666459 /nfs/dbraw/zinc/66/64/59/1018666459.db2.gz BYZQSWKMQNMLDF-NSHDSACASA-N 2 0 324.346 3.737 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000650756553 1018686508 /nfs/dbraw/zinc/68/65/08/1018686508.db2.gz DNLSNNLUIIENOZ-IBGZPJMESA-N 2 0 310.441 3.718 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000650756322 1018688755 /nfs/dbraw/zinc/68/87/55/1018688755.db2.gz ZIKISBGXMTXRDL-OAHLLOKOSA-N 2 0 320.358 3.600 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000650758520 1018692251 /nfs/dbraw/zinc/69/22/51/1018692251.db2.gz RIRCMDQBLVMTIK-QGZVFWFLSA-N 2 0 316.445 3.872 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000650758498 1018692404 /nfs/dbraw/zinc/69/24/04/1018692404.db2.gz QUEFEWBOKPUFEL-NSHDSACASA-N 2 0 308.347 3.674 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650761779 1018706601 /nfs/dbraw/zinc/70/66/01/1018706601.db2.gz KQQZBUGFOFWGKO-UHFFFAOYSA-N 3 0 323.569 3.645 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000650762226 1018709501 /nfs/dbraw/zinc/70/95/01/1018709501.db2.gz XNHKLQHTWUIAJB-GOSISDBHSA-N 2 0 306.881 3.640 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000650764093 1018714504 /nfs/dbraw/zinc/71/45/04/1018714504.db2.gz QEBYOFWWPOGEEP-LBPRGKRZSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647312576 1018718708 /nfs/dbraw/zinc/71/87/08/1018718708.db2.gz OYBLMTPVJLAGBR-JCHJZTRSSA-N 2 0 304.453 3.767 20 0 DHADRP CC(C)C[NH+](Cc1cn2c3c1cccc3C[NH2+]CC2)CC(C)C ZINC001204611395 1018731201 /nfs/dbraw/zinc/73/12/01/1018731201.db2.gz MEFFESKRAKXKRK-UHFFFAOYSA-N 2 0 313.489 3.859 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000566777950 1018758840 /nfs/dbraw/zinc/75/88/40/1018758840.db2.gz LHNNYHMMRLBOFK-HZPDHXFCSA-N 2 0 300.446 3.684 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000676571792 1018774389 /nfs/dbraw/zinc/77/43/89/1018774389.db2.gz HDLIDRGQITVKPE-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP CCCCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000315447515 1032781572 /nfs/dbraw/zinc/78/15/72/1032781572.db2.gz VZCJRQNMXJQVIW-KRWDZBQOSA-N 2 0 304.478 3.687 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000765453107 1018794452 /nfs/dbraw/zinc/79/44/52/1018794452.db2.gz KZVRNTTWKPGMBZ-HXUWFJFHSA-N 2 0 322.537 3.826 20 0 DHADRP c1cc2c(c(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)c1)OCC2 ZINC000921513082 1018798839 /nfs/dbraw/zinc/79/88/39/1018798839.db2.gz NSQDTHACPXDNIM-UHFFFAOYSA-N 2 0 322.452 3.507 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000624267485 1018824805 /nfs/dbraw/zinc/82/48/05/1018824805.db2.gz OIUVPRUNGOGPFZ-SVFBPWRDSA-N 2 0 321.468 3.711 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)CC(F)F ZINC000647318485 1018837090 /nfs/dbraw/zinc/83/70/90/1018837090.db2.gz QFKNKLWXANDIFG-DZKIICNBSA-N 2 0 302.453 3.910 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993869 1032791230 /nfs/dbraw/zinc/79/12/30/1032791230.db2.gz POPLWXJXFGDYSW-CYBMUJFWSA-N 2 0 310.844 3.676 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000158574012 1018852974 /nfs/dbraw/zinc/85/29/74/1018852974.db2.gz KKBRRFFBBRLAJZ-XHSDSOJGSA-N 2 0 318.509 3.502 20 0 DHADRP C[C@H](NCCC[NH+](C)C)c1ccc(Br)c(Cl)c1 ZINC000657819703 1018870169 /nfs/dbraw/zinc/87/01/69/1018870169.db2.gz XWJBHCRIXBVWKO-JTQLQIEISA-N 2 0 319.674 3.705 20 0 DHADRP COc1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171629708 1032793088 /nfs/dbraw/zinc/79/30/88/1032793088.db2.gz DFSBRKHYEXBTFZ-OAHLLOKOSA-N 2 0 318.505 3.867 20 0 DHADRP CCc1[nH]nc(Cl)c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000921823111 1018913192 /nfs/dbraw/zinc/91/31/92/1018913192.db2.gz QBHMMUHGMHFMLK-UHFFFAOYSA-N 2 0 324.900 3.512 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000129009039 1018937328 /nfs/dbraw/zinc/93/73/28/1018937328.db2.gz MOFLPOMPHLWXIL-CABCVRRESA-N 2 0 311.267 3.632 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684219 1018968721 /nfs/dbraw/zinc/96/87/21/1018968721.db2.gz HHVKQAAIPGUKOJ-INIZCTEOSA-N 2 0 306.881 3.519 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684835 1018970702 /nfs/dbraw/zinc/97/07/02/1018970702.db2.gz MAVPILXPCJCEPI-INIZCTEOSA-N 2 0 306.881 3.517 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686526 1018980194 /nfs/dbraw/zinc/98/01/94/1018980194.db2.gz YUXOXOICAYTZCN-UXLLHSPISA-N 2 0 320.908 3.765 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000858196178 1032800612 /nfs/dbraw/zinc/80/06/12/1032800612.db2.gz IXSDJGSVTNVJIR-PBHICJAKSA-N 2 0 302.462 3.535 20 0 DHADRP COc1cccc(CNCCC[N@H+](C)C2CCCCC2)c1F ZINC000317456471 1019003912 /nfs/dbraw/zinc/00/39/12/1019003912.db2.gz WVFDZIXPFGOGNY-UHFFFAOYSA-N 2 0 308.441 3.579 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CSc3ccccc3C2)CC1(C)C ZINC001171630310 1032796979 /nfs/dbraw/zinc/79/69/79/1032796979.db2.gz MCQZSBBQLUVYQK-HNNXBMFYSA-N 2 0 318.530 3.944 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCSCc2ccco2)CC1(C)C ZINC001171619864 1032802712 /nfs/dbraw/zinc/80/27/12/1032802712.db2.gz TUAKPRBTZHDAJX-UHFFFAOYSA-N 2 0 310.507 3.754 20 0 DHADRP C[C@@]1(C[NH2+][C@H]2CCCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000692437244 1019043201 /nfs/dbraw/zinc/04/32/01/1019043201.db2.gz RTHGQMNNJOCPLL-OALUTQOASA-N 2 0 318.530 3.774 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000387118101 1019046336 /nfs/dbraw/zinc/04/63/36/1019046336.db2.gz GOZBQRLSYLFJKQ-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCCc2ccccc2F)CC1(C)C ZINC001171623048 1032804981 /nfs/dbraw/zinc/80/49/81/1032804981.db2.gz IRZMXZCURFGPNM-UHFFFAOYSA-N 2 0 306.469 3.999 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000387334521 1019081520 /nfs/dbraw/zinc/08/15/20/1019081520.db2.gz OZFHPBXJFBJQFM-UHFFFAOYSA-N 2 0 302.384 3.915 20 0 DHADRP C[C@H]1CCC[C@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000387343629 1019083107 /nfs/dbraw/zinc/08/31/07/1019083107.db2.gz WXKYTLAQLFYPOB-DLBZAZTESA-N 2 0 301.478 3.856 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc2cnccc2o1 ZINC000657837977 1019086366 /nfs/dbraw/zinc/08/63/66/1019086366.db2.gz LLKFEJPAZKWBME-MRXNPFEDSA-N 2 0 315.461 3.991 20 0 DHADRP C[N@@H+]1CC[C@H](c2ccc(N3C[C@H](CC[NH3+])c4ccccc43)cc2)C1 ZINC001168554906 1019122131 /nfs/dbraw/zinc/12/21/31/1019122131.db2.gz GMWRARSLOYOODS-ROUUACIJSA-N 2 0 321.468 3.690 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Br)c1 ZINC000635006778 1019128390 /nfs/dbraw/zinc/12/83/90/1019128390.db2.gz NRYZHNSHTPWZML-LALPHHSUSA-N 2 0 311.267 3.617 20 0 DHADRP c1csc([C@H]2CCCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923322858 1019131228 /nfs/dbraw/zinc/13/12/28/1019131228.db2.gz AYGMLMOXDLEAKQ-WTXIUTQJSA-N 2 0 305.491 3.591 20 0 DHADRP Cc1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)sc1C(C)(C)C ZINC000923356985 1019148811 /nfs/dbraw/zinc/14/88/11/1019148811.db2.gz KZWAUXLQQKOGNM-HNNXBMFYSA-N 2 0 321.534 3.571 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H](c2ccccc2)C(C)(C)O)CC1(C)C ZINC001171627597 1032810423 /nfs/dbraw/zinc/81/04/23/1032810423.db2.gz YGTCUNKLCYBBDC-KRWDZBQOSA-N 2 0 318.505 3.740 20 0 DHADRP C(C[NH+]1CCC2(CCSCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923409161 1019183361 /nfs/dbraw/zinc/18/33/61/1019183361.db2.gz AOLRDHQJWUBXNR-ALOPSCKCSA-N 2 0 308.535 3.516 20 0 DHADRP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923419837 1019194675 /nfs/dbraw/zinc/19/46/75/1019194675.db2.gz DRBZORZMZOBNBU-MAUKXSAKSA-N 2 0 319.493 3.665 20 0 DHADRP FCC1(CF)CC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000657851302 1019196515 /nfs/dbraw/zinc/19/65/15/1019196515.db2.gz MYXNASARIFBLGE-UHFFFAOYSA-N 2 0 322.443 3.576 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC000081578991 1019213910 /nfs/dbraw/zinc/21/39/10/1019213910.db2.gz KRUCIYBHRLPFFZ-GOSISDBHSA-N 2 0 304.478 3.509 20 0 DHADRP CC[N@H+](CCCc1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063019 1019278861 /nfs/dbraw/zinc/27/88/61/1019278861.db2.gz ONHXBJODCCYTNS-UHFFFAOYSA-N 2 0 311.473 3.598 20 0 DHADRP CC[N@H+](CC[C@H]1CCCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062866 1019279995 /nfs/dbraw/zinc/27/99/95/1019279995.db2.gz JMRLXLVSCPYZBU-LJQANCHMSA-N 2 0 304.478 3.529 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161587735 1019459463 /nfs/dbraw/zinc/45/94/63/1019459463.db2.gz GJDAXIXSLLJAPH-DEXNDLTESA-N 2 0 302.437 3.666 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043405 1019500908 /nfs/dbraw/zinc/50/09/08/1019500908.db2.gz JBPACQJKZGQMBW-SFTDATJTSA-N 2 0 321.468 3.665 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1(C)C ZINC001171637409 1032836316 /nfs/dbraw/zinc/83/63/16/1032836316.db2.gz MOADZYUPRJNSRW-MRXNPFEDSA-N 2 0 301.478 3.522 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421821515 1019556784 /nfs/dbraw/zinc/55/67/84/1019556784.db2.gz RVFKUMKDWNYKFQ-PKOBYXMFSA-N 2 0 315.505 3.573 20 0 DHADRP C[C@@H](C[NH2+][C@H]1Cc2cccc(Cl)c2C1)CC(C)(C)CC[NH3+] ZINC001168705609 1019640720 /nfs/dbraw/zinc/64/07/20/1019640720.db2.gz VSXQYCKEMAOMKR-HIFRSBDPSA-N 2 0 308.897 3.798 20 0 DHADRP C[NH+](C)CCCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000151914103 1019699311 /nfs/dbraw/zinc/69/93/11/1019699311.db2.gz ZDVKRUSUHCLHTP-HNNXBMFYSA-N 2 0 315.486 3.729 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657345127 1019730772 /nfs/dbraw/zinc/73/07/72/1019730772.db2.gz HNLDTXQCPBBMLA-UHFFFAOYSA-N 2 0 305.491 3.898 20 0 DHADRP C[C@@H]1C[C@@H](N2CC[C@H]([NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171733711 1032850993 /nfs/dbraw/zinc/85/09/93/1032850993.db2.gz XYJNEOOUTMDKDX-POAQFYNOSA-N 2 0 321.468 3.560 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000166135748 1019775253 /nfs/dbraw/zinc/77/52/53/1019775253.db2.gz TWWISPRRGCSDIQ-CVEARBPZSA-N 2 0 304.478 3.509 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000166182600 1019779462 /nfs/dbraw/zinc/77/94/62/1019779462.db2.gz RMZPLNPZGFNYMT-RTBURBONSA-N 2 0 316.464 3.854 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(N2CCCC2)c1 ZINC000166824516 1019826158 /nfs/dbraw/zinc/82/61/58/1019826158.db2.gz SXAUSAKCNWNOLM-ILZDJORESA-N 2 0 313.489 3.564 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(N2CCCC2)c1 ZINC000166824740 1019826652 /nfs/dbraw/zinc/82/66/52/1019826652.db2.gz SXAUSAKCNWNOLM-XKGZKEIXSA-N 2 0 313.489 3.564 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000685463078 1019843676 /nfs/dbraw/zinc/84/36/76/1019843676.db2.gz BXMIPNDRLNSDQT-HXUWFJFHSA-N 2 0 300.490 3.974 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1cc2ccncc2s1 ZINC000657892585 1019873727 /nfs/dbraw/zinc/87/37/27/1019873727.db2.gz CSRNAGZQCCXKIO-JSGCOSHPSA-N 2 0 312.442 3.721 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000168329574 1019890484 /nfs/dbraw/zinc/89/04/84/1019890484.db2.gz QSNFPRCOFKMSND-QGZVFWFLSA-N 2 0 315.505 3.812 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000371792490 1019907740 /nfs/dbraw/zinc/90/77/40/1019907740.db2.gz KZSQEHJFQLXYGG-IEBWSBKVSA-N 2 0 309.457 3.644 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)[C@H]2CCC[C@H]21 ZINC000671756157 1019966348 /nfs/dbraw/zinc/96/63/48/1019966348.db2.gz WNUSMEAKPNSDDO-CEXWTWQISA-N 2 0 316.489 3.826 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000480631839 1020011884 /nfs/dbraw/zinc/01/18/84/1020011884.db2.gz SQCBOPGYVQCLPG-LJQANCHMSA-N 2 0 304.453 3.915 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c3ccccc23)C1 ZINC000093770718 1020070150 /nfs/dbraw/zinc/07/01/50/1020070150.db2.gz HHOAFCHUNSWRMX-MRXNPFEDSA-N 2 0 312.457 3.622 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166459175 1020089117 /nfs/dbraw/zinc/08/91/17/1020089117.db2.gz VJGHHGSVCZMNLO-ZWKOTPCHSA-N 2 0 318.892 3.978 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C(F)F)nc1 ZINC000658022757 1020095655 /nfs/dbraw/zinc/09/56/55/1020095655.db2.gz DOCFSGPDWOKHTK-CQSZACIVSA-N 2 0 311.420 3.936 20 0 DHADRP CCc1ncc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000922503745 1020106001 /nfs/dbraw/zinc/10/60/01/1020106001.db2.gz JTZBJMZSMQJLSS-UHFFFAOYSA-N 2 0 307.507 3.592 20 0 DHADRP c1ccc(CN2CCC([NH2+]C[C@H]3Cc4ccccc43)CC2)cc1 ZINC000123907559 1020116532 /nfs/dbraw/zinc/11/65/32/1020116532.db2.gz QLVQDBLIJZRTOQ-LJQANCHMSA-N 2 0 306.453 3.581 20 0 DHADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066982 1020126737 /nfs/dbraw/zinc/12/67/37/1020126737.db2.gz IPVBXMZVUKAVAB-QFBILLFUSA-N 2 0 322.537 3.682 20 0 DHADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067950 1020126835 /nfs/dbraw/zinc/12/68/35/1020126835.db2.gz SRJGCHIZJFFNKP-HQRMLTQVSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658161730 1020196168 /nfs/dbraw/zinc/19/61/68/1020196168.db2.gz AEZFGQTUHKQSAZ-HLIPFELVSA-N 2 0 315.505 3.708 20 0 DHADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166069 1020198086 /nfs/dbraw/zinc/19/80/86/1020198086.db2.gz MGWTUILTCMPOIW-UXHICEINSA-N 2 0 315.505 3.708 20 0 DHADRP CC(C)CC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165450 1020199680 /nfs/dbraw/zinc/19/96/80/1020199680.db2.gz FKSDDOUALRYMBQ-QGZVFWFLSA-N 2 0 303.494 3.708 20 0 DHADRP CC(C)(C)C[NH+]1CCC(C[NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786259 1032883429 /nfs/dbraw/zinc/88/34/29/1032883429.db2.gz ZMLGQJHKWVIEOX-QGZVFWFLSA-N 2 0 318.480 3.641 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658223184 1020230746 /nfs/dbraw/zinc/23/07/46/1020230746.db2.gz IYFOMVKHKBGCJH-BPQIPLTHSA-N 2 0 322.443 3.922 20 0 DHADRP Cc1cnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000922740135 1020242082 /nfs/dbraw/zinc/24/20/82/1020242082.db2.gz CONDNDGWFRAIMZ-AZUAARDMSA-N 2 0 323.484 3.841 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658217680 1020246188 /nfs/dbraw/zinc/24/61/88/1020246188.db2.gz HIUMXUKFZYZPGW-UAGQMJEPSA-N 2 0 308.416 3.532 20 0 DHADRP CN(Cc1ccccc1)C1(C[NH2+]C2CCCCC2)CCOCC1 ZINC000922748180 1020246320 /nfs/dbraw/zinc/24/63/20/1020246320.db2.gz PNJSQXJNEKTMET-UHFFFAOYSA-N 2 0 316.489 3.590 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3C(C)(C)C3(F)F)CC2)C1 ZINC000658283932 1020282319 /nfs/dbraw/zinc/28/23/19/1020282319.db2.gz XHNBFWGNHLTSLW-KBMXLJTQSA-N 2 0 314.464 3.910 20 0 DHADRP CC(C)c1ncc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922846662 1020304117 /nfs/dbraw/zinc/30/41/17/1020304117.db2.gz FGGNTIIJHCJONM-UHFFFAOYSA-N 2 0 307.507 3.763 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000922848477 1020307628 /nfs/dbraw/zinc/30/76/28/1020307628.db2.gz TYPKBEXOHDNBST-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP CCOc1ccccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848353 1020307871 /nfs/dbraw/zinc/30/78/71/1020307871.db2.gz SBHGMZYUSLPFMI-UHFFFAOYSA-N 2 0 302.462 3.582 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccncc1Cl ZINC000658353883 1020321270 /nfs/dbraw/zinc/32/12/70/1020321270.db2.gz SWPFSTFAHBAJKS-CYBMUJFWSA-N 2 0 307.869 3.508 20 0 DHADRP C[N@H+](CCC[NH2+][C@H]1CCc2cccnc2CC1)C1CCCCC1 ZINC000421822460 1020324857 /nfs/dbraw/zinc/32/48/57/1020324857.db2.gz XBXZXAGSYHTWMS-SFHVURJKSA-N 2 0 315.505 3.573 20 0 DHADRP Fc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001171801258 1032893567 /nfs/dbraw/zinc/89/35/67/1032893567.db2.gz KLVOOMVIVOEGDC-ROUUACIJSA-N 2 0 316.464 3.633 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc(F)c(C)c2)cc1 ZINC000892459721 1020377693 /nfs/dbraw/zinc/37/76/93/1020377693.db2.gz DZOKESZQEAGUJZ-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP CCc1onc(C)c1C[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000892461551 1020378571 /nfs/dbraw/zinc/37/85/71/1020378571.db2.gz HGWKICRUOLWRCH-UHFFFAOYSA-N 2 0 315.461 3.677 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000193281383 1020394134 /nfs/dbraw/zinc/39/41/34/1020394134.db2.gz XUBKXLACGZKPND-VQIMIIECSA-N 2 0 301.478 3.788 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000655836252 1020410617 /nfs/dbraw/zinc/41/06/17/1020410617.db2.gz GRQBJORKPOOGCA-SQGPQFPESA-N 2 0 315.505 3.645 20 0 DHADRP Cc1ccc([C@@H](C)C[NH2+]C2CCN(CCOC(C)C)CC2)cc1 ZINC000628227745 1020418711 /nfs/dbraw/zinc/41/87/11/1020418711.db2.gz QHHBZBHWTHCTRD-SFHVURJKSA-N 2 0 318.505 3.578 20 0 DHADRP FCCC[C@H]1CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000282421246 1020420131 /nfs/dbraw/zinc/42/01/31/1020420131.db2.gz DSNJOQAEYVNNOP-IEBWSBKVSA-N 2 0 319.468 3.806 20 0 DHADRP C(CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)CCC[NH+]1CCCC1 ZINC000921686611 1020445821 /nfs/dbraw/zinc/44/58/21/1020445821.db2.gz LTHFPYUOEYZGTB-SLFFLAALSA-N 2 0 322.537 3.828 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168743092 1020511053 /nfs/dbraw/zinc/51/10/53/1020511053.db2.gz IZIITPUJFLYJFL-INIZCTEOSA-N 2 0 318.892 3.615 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCCCC2 ZINC000378878426 1020522714 /nfs/dbraw/zinc/52/27/14/1020522714.db2.gz CSGVNANLXQYQKK-MSOLQXFVSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000156048855 1020531687 /nfs/dbraw/zinc/53/16/87/1020531687.db2.gz PGQFKPLZTKFRKK-NSHDSACASA-N 2 0 318.358 3.664 20 0 DHADRP CSC1(C[NH2+][C@@H](C)CCCC(F)(F)F)CC[NH+](C)CC1 ZINC000353624888 1020576790 /nfs/dbraw/zinc/57/67/90/1020576790.db2.gz FKFOABJRXPCEKF-LBPRGKRZSA-N 2 0 312.445 3.525 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490712 1032917712 /nfs/dbraw/zinc/91/77/12/1032917712.db2.gz MKBXZBJBFXQALF-VQIMIIECSA-N 2 0 316.489 3.784 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C(C)(C)C ZINC000734850549 1020669711 /nfs/dbraw/zinc/66/97/11/1020669711.db2.gz ZMUTZBHJNWQBKA-SFHVURJKSA-N 2 0 318.505 3.856 20 0 DHADRP Cc1cccc2[nH]cc(C[NH+]3CCC4(CCC[N@@H+](C)C4)CC3)c21 ZINC001279691138 1020707941 /nfs/dbraw/zinc/70/79/41/1020707941.db2.gz JCIQKUCCNLIFFY-UHFFFAOYSA-N 2 0 311.473 3.784 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281135790 1020762324 /nfs/dbraw/zinc/76/23/24/1020762324.db2.gz NUASIDKNLPNGJR-SZMVWBNQSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001171958553 1032926588 /nfs/dbraw/zinc/92/65/88/1032926588.db2.gz BJNXGLHBQFCFGY-CJNGLKHVSA-N 2 0 314.395 3.710 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)c2ncc(C)o2)CC1)CC1CC1 ZINC000537847826 1032927907 /nfs/dbraw/zinc/92/79/07/1032927907.db2.gz VJJBUERXYKUIIJ-MRXNPFEDSA-N 2 0 319.493 3.878 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171962163 1032931592 /nfs/dbraw/zinc/93/15/92/1032931592.db2.gz CIEJVNIXQZCWHG-KZNAEPCWSA-N 2 0 304.453 3.910 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171962146 1032932823 /nfs/dbraw/zinc/93/28/23/1032932823.db2.gz CIEJVNIXQZCWHG-FGTMMUONSA-N 2 0 304.453 3.910 20 0 DHADRP COC(=O)C1(C)CCC([NH2+]CC[PH+](C(C)C)C(C)C)CC1 ZINC001168771063 1020844260 /nfs/dbraw/zinc/84/42/60/1020844260.db2.gz RKRJMXDQTNSQPG-UHFFFAOYSA-N 2 0 315.438 3.997 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2(C)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171966506 1032936633 /nfs/dbraw/zinc/93/66/33/1032936633.db2.gz VEZWWUNHOJYJBF-SFHVURJKSA-N 2 0 316.489 3.588 20 0 DHADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC1(C)C ZINC000414105373 1020895950 /nfs/dbraw/zinc/89/59/50/1020895950.db2.gz WCMOMDYULIKSHW-QZTJIDSGSA-N 2 0 301.478 3.712 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc(C[NH+](C)C)c1 ZINC000926738510 1020900019 /nfs/dbraw/zinc/90/00/19/1020900019.db2.gz SXYAYBFUWQKOBX-SWLSCSKDSA-N 2 0 315.288 3.983 20 0 DHADRP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000414122929 1020914467 /nfs/dbraw/zinc/91/44/67/1020914467.db2.gz AXRATLVYSGNRHN-SCLBCKFNSA-N 2 0 322.880 3.632 20 0 DHADRP Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000414167564 1020954692 /nfs/dbraw/zinc/95/46/92/1020954692.db2.gz PLVQOYQAISOCHI-LAUBAEHRSA-N 2 0 323.484 3.699 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCS2 ZINC000414169399 1020957605 /nfs/dbraw/zinc/95/76/05/1020957605.db2.gz BBJFAQCIQUTNIZ-WMLDXEAASA-N 2 0 320.502 3.554 20 0 DHADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414177934 1020966430 /nfs/dbraw/zinc/96/64/30/1020966430.db2.gz JIQRBLGYVPZNBC-KDOFPFPSSA-N 2 0 310.432 3.983 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000414191480 1020978530 /nfs/dbraw/zinc/97/85/30/1020978530.db2.gz SNSWOWHHOAXZMV-ZIAGYGMSSA-N 2 0 312.404 3.671 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)[C@@H](C)C1 ZINC000414192741 1020980421 /nfs/dbraw/zinc/98/04/21/1020980421.db2.gz MJDJLRNBRFKFFT-LEAZDLGRSA-N 2 0 322.537 3.539 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCCc4c5ccccc5[nH]c43)ccc12 ZINC000414200393 1020988243 /nfs/dbraw/zinc/98/82/43/1020988243.db2.gz ZSFDCAKGEJSPPQ-IBGZPJMESA-N 2 0 316.408 3.983 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCC[C@H]2F)CC1 ZINC000414316367 1021087388 /nfs/dbraw/zinc/08/73/88/1021087388.db2.gz UJWLJFSMSZQJRC-NSISKUIASA-N 2 0 318.480 3.952 20 0 DHADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171969685 1032954164 /nfs/dbraw/zinc/95/41/64/1032954164.db2.gz WDFKCGPYGIQMSP-IBGZPJMESA-N 2 0 324.468 3.925 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423369051 1021189011 /nfs/dbraw/zinc/18/90/11/1021189011.db2.gz DTAYJDKVLXXYJN-DZKIICNBSA-N 2 0 308.853 3.722 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000423407354 1021196679 /nfs/dbraw/zinc/19/66/79/1021196679.db2.gz ZYUWSPDFPDQWRR-GPMSIDNRSA-N 2 0 302.462 3.786 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423544523 1021271163 /nfs/dbraw/zinc/27/11/63/1021271163.db2.gz OIHWKHQCIPPCLC-VLXAULBPSA-N 2 0 322.905 3.855 20 0 DHADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991448 1032964495 /nfs/dbraw/zinc/96/44/95/1032964495.db2.gz RDOKCMHIABTLAV-ABAIWWIYSA-N 2 0 313.272 3.608 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000537991620 1032966064 /nfs/dbraw/zinc/96/60/64/1032966064.db2.gz VUUWGNDZEUWJMQ-LPHOPBHVSA-N 2 0 304.478 3.509 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000556123853 1021535019 /nfs/dbraw/zinc/53/50/19/1021535019.db2.gz WADVVBGJUZKTLJ-MRXNPFEDSA-N 2 0 302.453 3.866 20 0 DHADRP CCOCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064028 1032988800 /nfs/dbraw/zinc/98/88/00/1032988800.db2.gz DGUKWJCCZJWBBH-OWZKRDHZSA-N 2 0 316.489 3.588 20 0 DHADRP F[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065653 1032989004 /nfs/dbraw/zinc/98/90/04/1032989004.db2.gz PWZWMCWJJSYSCT-DQCOHUIHSA-N 2 0 302.437 3.662 20 0 DHADRP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000129890250 1021580149 /nfs/dbraw/zinc/58/01/49/1021580149.db2.gz XNJMSWMHUQNHEJ-XLIONFOSSA-N 2 0 315.505 3.815 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1c(F)cccc1Cl)C2 ZINC001172100770 1032990565 /nfs/dbraw/zinc/99/05/65/1032990565.db2.gz SSODOZNCHDDXSR-ZSOGYDGISA-N 2 0 310.844 3.627 20 0 DHADRP ClC1(Cl)C[C@H]1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686945 1021607642 /nfs/dbraw/zinc/60/76/42/1021607642.db2.gz ZAHVDWGTRHCHEI-CABCVRRESA-N 2 0 319.320 3.768 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(-c3ccccn3)c2)[C@H](C)C1 ZINC000093639319 1021636663 /nfs/dbraw/zinc/63/66/63/1021636663.db2.gz XXMJCPZHLNMRFO-UTKZUKDTSA-N 2 0 323.484 3.911 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000037209691 1021661569 /nfs/dbraw/zinc/66/15/69/1021661569.db2.gz POGLUJHENYGKFK-GFCCVEGCSA-N 2 0 315.288 3.856 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000924608376 1021663057 /nfs/dbraw/zinc/66/30/57/1021663057.db2.gz NVIPJOWARBEVQJ-FQEVSTJZSA-N 2 0 309.457 3.774 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000926861280 1021670723 /nfs/dbraw/zinc/67/07/23/1021670723.db2.gz YINXCRDVYVTBAA-IPELMVKDSA-N 2 0 304.478 3.604 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CC[NH3+])c1cccc3ccccc31)C2 ZINC001172101565 1033000698 /nfs/dbraw/zinc/00/06/98/1033000698.db2.gz ZOZLOYOPCHIAQA-BWTSREIZSA-N 2 0 323.484 3.620 20 0 DHADRP CSC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CCC1 ZINC000556475441 1021730655 /nfs/dbraw/zinc/73/06/55/1021730655.db2.gz VPEUWEHZYZEFRR-DLBZAZTESA-N 2 0 310.551 3.859 20 0 DHADRP CC(C)Oc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172105822 1033002709 /nfs/dbraw/zinc/00/27/09/1033002709.db2.gz KUAVDDRICIVGSQ-REPLKXPHSA-N 2 0 316.489 3.621 20 0 DHADRP CCC1CC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000556588799 1021781590 /nfs/dbraw/zinc/78/15/90/1021781590.db2.gz INXUKLFJCZSDDD-ZRDSACAASA-N 2 0 316.489 3.574 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000565227258 1021809086 /nfs/dbraw/zinc/80/90/86/1021809086.db2.gz TVKILVFKMXSXDK-TUUVXOQKSA-N 2 0 312.379 3.811 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCc1cccc(Cl)c1)C2 ZINC001172107159 1033009330 /nfs/dbraw/zinc/00/93/30/1033009330.db2.gz TWZMJPQTBJWEBD-NNZMDNLPSA-N 2 0 306.881 3.878 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1ccc(F)cc1)C2 ZINC001172111318 1033009659 /nfs/dbraw/zinc/00/96/59/1033009659.db2.gz QAQXKHBHPDEZBR-LDLYASANSA-N 2 0 318.480 3.999 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183360667 1021838289 /nfs/dbraw/zinc/83/82/89/1021838289.db2.gz LDKOWKUYBVJUOQ-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C)CCC(F)(F)CC1)C2 ZINC001172110961 1033009818 /nfs/dbraw/zinc/00/98/18/1033009818.db2.gz MPJBJVUCZRULFL-QKDCVEJESA-N 2 0 300.437 3.807 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(CC3CCC3)CCOCC1)C2 ZINC001172110977 1033011977 /nfs/dbraw/zinc/01/19/77/1033011977.db2.gz NCOPZSXPOUZQOU-REPLKXPHSA-N 2 0 320.521 3.578 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccc(F)cc3)CC1)C2 ZINC001172109086 1033013679 /nfs/dbraw/zinc/01/36/79/1033013679.db2.gz CCMSLCZDPFRHRK-LDLYASANSA-N 2 0 316.464 3.753 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001172113654 1033014720 /nfs/dbraw/zinc/01/47/20/1033014720.db2.gz FECXOQDHKWDGJX-NNZMDNLPSA-N 2 0 324.468 3.953 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000556867858 1021911710 /nfs/dbraw/zinc/91/17/10/1021911710.db2.gz AXNYABORASJRST-FGTMMUONSA-N 2 0 318.892 3.834 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000556872493 1021914683 /nfs/dbraw/zinc/91/46/83/1021914683.db2.gz YAQLOPYABSRJIM-URGFFDDHSA-N 2 0 304.453 3.912 20 0 DHADRP Cc1ccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172112516 1033017499 /nfs/dbraw/zinc/01/74/99/1033017499.db2.gz WTKNJSAMXGDPAW-OWZKRDHZSA-N 2 0 312.501 3.923 20 0 DHADRP Cc1ccc2c(c1)c1c(n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH2+]C1 ZINC001172120140 1033022923 /nfs/dbraw/zinc/02/29/23/1033022923.db2.gz DDYBXHHTARUXPZ-FVQHAEBGSA-N 2 0 323.484 3.783 20 0 DHADRP COc1ccc(C[C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000649793823 1022154328 /nfs/dbraw/zinc/15/43/28/1022154328.db2.gz TYAMTRQKECJQKN-MOPGFXCFSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205995979 1022185179 /nfs/dbraw/zinc/18/51/79/1022185179.db2.gz SRXRPEDAIXCGAJ-NEPJUHHUSA-N 2 0 318.358 3.651 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000414200408 1022193163 /nfs/dbraw/zinc/19/31/63/1022193163.db2.gz XUNGBFRLARYEMX-XJKSGUPXSA-N 2 0 308.466 3.684 20 0 DHADRP Cc1cc(F)ncc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000893190765 1022196922 /nfs/dbraw/zinc/19/69/22/1022196922.db2.gz YOZIYENXRRIXEO-UHFFFAOYSA-N 2 0 319.468 3.662 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000337504827 1033037305 /nfs/dbraw/zinc/03/73/05/1033037305.db2.gz DWWKKEILCCZGKE-LJQANCHMSA-N 2 0 314.473 3.584 20 0 DHADRP FC(F)(F)C1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000853241472 1022241534 /nfs/dbraw/zinc/24/15/34/1022241534.db2.gz VPYYEJGYEAJIFW-FHERZECASA-N 2 0 318.427 3.819 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Br)c1 ZINC001169099304 1022247840 /nfs/dbraw/zinc/24/78/40/1022247840.db2.gz PIKWJNQTLJFXEX-BQDHKBFISA-N 2 0 323.278 3.725 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001169080817 1022250618 /nfs/dbraw/zinc/25/06/18/1022250618.db2.gz USSXRFRXPDHDME-FQEVSTJZSA-N 2 0 302.506 3.917 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001169084693 1022252438 /nfs/dbraw/zinc/25/24/38/1022252438.db2.gz JVHKQIUUISISEJ-LJQANCHMSA-N 2 0 300.490 3.671 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC001169090265 1022255793 /nfs/dbraw/zinc/25/57/93/1022255793.db2.gz JEFIVFTZRAEXBA-XGGAQFSBSA-N 2 0 302.506 3.950 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CC3CC3)CCC(F)(F)CC1)C2 ZINC001169109364 1022266728 /nfs/dbraw/zinc/26/67/28/1022266728.db2.gz BFMJXMVFHRTINC-PHZGNYQRSA-N 2 0 312.448 3.949 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109600 1022268484 /nfs/dbraw/zinc/26/84/84/1022268484.db2.gz FQXNKXNPGKBPSR-RDGPPVDQSA-N 2 0 302.437 3.882 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659974485 1022275075 /nfs/dbraw/zinc/27/50/75/1022275075.db2.gz MWBIYSVPCZBBPM-QUCCMNQESA-N 2 0 312.501 3.770 20 0 DHADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)C1CCCCC1 ZINC000154505548 1022303468 /nfs/dbraw/zinc/30/34/68/1022303468.db2.gz SDWWYPKCNUJSIS-HXUWFJFHSA-N 2 0 323.569 3.743 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]([NH3+])C1 ZINC000925541333 1022305665 /nfs/dbraw/zinc/30/56/65/1022305665.db2.gz KWZJKEIFGXYQBH-RQJABVFESA-N 2 0 306.416 3.851 20 0 DHADRP CC[NH+]1CCC([NH2+]CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001169230133 1022310780 /nfs/dbraw/zinc/31/07/80/1022310780.db2.gz SJIJJLKRBSJXBX-UHFFFAOYSA-N 2 0 314.395 3.712 20 0 DHADRP CN1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)C[C@H]1c1ccccc1 ZINC000414325017 1022360996 /nfs/dbraw/zinc/36/09/96/1022360996.db2.gz CAXNJUHONBFOBZ-UXHICEINSA-N 2 0 323.484 3.784 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172220390 1033048326 /nfs/dbraw/zinc/04/83/26/1033048326.db2.gz CWHHGOGUFQYFAA-LJRDSGNISA-N 2 0 320.521 3.849 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654327 1022386381 /nfs/dbraw/zinc/38/63/81/1022386381.db2.gz GVPYGESNVFFOMU-RDJZCZTQSA-N 2 0 306.881 3.648 20 0 DHADRP CC(C)CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(C)C ZINC000538394680 1033049903 /nfs/dbraw/zinc/04/99/03/1033049903.db2.gz KDCCUUPGCXIZRT-OALUTQOASA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695658098 1022395295 /nfs/dbraw/zinc/39/52/95/1022395295.db2.gz ZQOIVIINCCRMSN-ZMSDIMECSA-N 2 0 306.881 3.647 20 0 DHADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[PH+](C(C)C)C(C)C ZINC001169457363 1022420937 /nfs/dbraw/zinc/42/09/37/1022420937.db2.gz FDTSIISRHRBSHU-HNNXBMFYSA-N 2 0 302.443 3.522 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCN1CCCC1 ZINC000671098025 1022422549 /nfs/dbraw/zinc/42/25/49/1022422549.db2.gz HUVCPYWFDJHCIK-MRXNPFEDSA-N 2 0 313.489 3.910 20 0 DHADRP CC(=O)N1CC[C@@H]([NH2+]CCC[PH+](C(C)(C)C)C(C)(C)C)C1 ZINC001169526959 1022435935 /nfs/dbraw/zinc/43/59/35/1022435935.db2.gz PBVCINZVBIVTEA-OAHLLOKOSA-N 2 0 314.454 3.666 20 0 DHADRP C[C@H]([NH2+]Cc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272165483 1022493636 /nfs/dbraw/zinc/49/36/36/1022493636.db2.gz GOBFDQXVRCJEDD-RDJZCZTQSA-N 2 0 300.471 3.748 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272264903 1022496469 /nfs/dbraw/zinc/49/64/69/1022496469.db2.gz XPKJODRPGWZRBU-SQGPQFPESA-N 2 0 309.457 3.643 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001169683196 1022497992 /nfs/dbraw/zinc/49/79/92/1022497992.db2.gz JCZUJTZAIMIYEC-ZWKOTPCHSA-N 2 0 322.456 3.746 20 0 DHADRP [NH3+]CCc1cn(-c2cc[nH+]cc2-c2ccccc2)c2cccnc12 ZINC001169711387 1022515522 /nfs/dbraw/zinc/51/55/22/1022515522.db2.gz XVEHLNICXRLRRT-UHFFFAOYSA-N 2 0 314.392 3.589 20 0 DHADRP C[NH+](C)CCC(C)(C)Nc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001169718530 1022516405 /nfs/dbraw/zinc/51/64/05/1022516405.db2.gz VFDJPHOZFOXXCX-UHFFFAOYSA-N 2 0 321.534 3.673 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(C)(C)CC[NH+](C)C)nc1 ZINC001169715834 1022517246 /nfs/dbraw/zinc/51/72/46/1022517246.db2.gz KOYJELQKTGXGOI-INIZCTEOSA-N 2 0 318.509 3.598 20 0 DHADRP CC[C@@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@@H]2CC)COC1 ZINC000157315395 1022541495 /nfs/dbraw/zinc/54/14/95/1022541495.db2.gz JUHCCVLGSIOYJH-HDICACEKSA-N 2 0 308.510 3.532 20 0 DHADRP CCn1nc(C[NH2+][C@@H](C)CCC[NH+](CC)CC)c2ccccc21 ZINC000274415545 1022567250 /nfs/dbraw/zinc/56/72/50/1022567250.db2.gz JBBYWCUKEHMJBE-INIZCTEOSA-N 2 0 316.493 3.656 20 0 DHADRP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206023613 1022567682 /nfs/dbraw/zinc/56/76/82/1022567682.db2.gz FXTQWMOFMVGHSR-CHWSQXEVSA-N 2 0 312.910 3.869 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CSc2ccccc2C1)CC(C)(C)CC[NH3+] ZINC001172201132 1033061559 /nfs/dbraw/zinc/06/15/59/1033061559.db2.gz MILBXNWPTPMBCB-ZBFHGGJFSA-N 2 0 306.519 3.694 20 0 DHADRP c1cc2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)ccc2[nH]1 ZINC000584729865 1022671909 /nfs/dbraw/zinc/67/19/09/1022671909.db2.gz HDWNMOBLBFHFOB-UHFFFAOYSA-N 2 0 320.440 3.569 20 0 DHADRP CCC(CC)[C@H](NC[C@@H](O)C[N@H+](C)C(C)C)c1cccs1 ZINC000660190519 1022680575 /nfs/dbraw/zinc/68/05/75/1022680575.db2.gz WRVJHIFNWPMEOF-WBVHZDCISA-N 2 0 312.523 3.516 20 0 DHADRP Clc1cncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000621269108 1022689337 /nfs/dbraw/zinc/68/93/37/1022689337.db2.gz KCBVVHQOGDDTAO-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000767351271 1022694267 /nfs/dbraw/zinc/69/42/67/1022694267.db2.gz YLZRIXSBMKRKEB-SFHVURJKSA-N 2 0 311.473 3.832 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)C1CCCCC1 ZINC000159151766 1022695487 /nfs/dbraw/zinc/69/54/87/1022695487.db2.gz MOUHUQXJTGEYLQ-IBGZPJMESA-N 2 0 310.526 3.826 20 0 DHADRP OC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000417366704 1022710428 /nfs/dbraw/zinc/71/04/28/1022710428.db2.gz NMQNPJCNDSGQIR-LJQANCHMSA-N 2 0 322.537 3.704 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172321399 1033084286 /nfs/dbraw/zinc/08/42/86/1033084286.db2.gz KGNJIHQSKLJYOG-CMKODMSKSA-N 2 0 318.505 3.692 20 0 DHADRP COc1cccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310072371 1022874894 /nfs/dbraw/zinc/87/48/94/1022874894.db2.gz AHLPDBDRLZQFIU-NRFANRHFSA-N 2 0 324.468 3.697 20 0 DHADRP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc2c(c1)CCCO2 ZINC000768088841 1022879368 /nfs/dbraw/zinc/87/93/68/1022879368.db2.gz CMQGIQQKVJMBSA-GOSISDBHSA-N 2 0 304.478 3.783 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925631359 1022901504 /nfs/dbraw/zinc/90/15/04/1022901504.db2.gz XPIQCKBGOZGNAR-FYQPLNBISA-N 2 0 322.537 3.728 20 0 DHADRP COC1CCC(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000893327811 1022915104 /nfs/dbraw/zinc/91/51/04/1022915104.db2.gz POUJFFCIZDRUNK-UHFFFAOYSA-N 2 0 318.505 3.822 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876576826 1033093988 /nfs/dbraw/zinc/09/39/88/1033093988.db2.gz QWIZMPSURDMEJW-UHFFFAOYSA-N 2 0 323.893 3.723 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C12CCC2 ZINC000925654553 1022973392 /nfs/dbraw/zinc/97/33/92/1022973392.db2.gz FTADDZLVIPULQF-KRIMKBQASA-N 2 0 308.828 3.527 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1SC ZINC000165319259 1022978771 /nfs/dbraw/zinc/97/87/71/1022978771.db2.gz QIPZIMUQKRUPGB-HUUCEWRRSA-N 2 0 322.518 3.800 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000165340548 1022978812 /nfs/dbraw/zinc/97/88/12/1022978812.db2.gz BRSVLVDKFHOCEJ-AZUAARDMSA-N 2 0 300.490 3.575 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000859213684 1033100144 /nfs/dbraw/zinc/10/01/44/1033100144.db2.gz ZCGXOJCPLXHRFV-LJQANCHMSA-N 2 0 316.489 3.672 20 0 DHADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294986767 1022991538 /nfs/dbraw/zinc/99/15/38/1022991538.db2.gz KHVTZSRQFNCENH-UXDRXVOSSA-N 2 0 300.490 3.958 20 0 DHADRP CCCC[C@H](CC)CC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415130247 1023044839 /nfs/dbraw/zinc/04/48/39/1023044839.db2.gz WNIKRNNBZXKSNZ-YTQUADARSA-N 2 0 310.526 3.811 20 0 DHADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@H]2CCCSC2)c1 ZINC000769006297 1023077363 /nfs/dbraw/zinc/07/73/63/1023077363.db2.gz YTVFENADBGCVOL-SFHVURJKSA-N 2 0 304.503 3.658 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC000925678366 1023088448 /nfs/dbraw/zinc/08/84/48/1023088448.db2.gz CYXMUAJMDZVJHI-HNNXBMFYSA-N 2 0 323.362 3.670 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000769870594 1023234729 /nfs/dbraw/zinc/23/47/29/1023234729.db2.gz ARPYWVKZAGBZPH-HUUCEWRRSA-N 2 0 307.482 3.851 20 0 DHADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925701989 1023276002 /nfs/dbraw/zinc/27/60/02/1023276002.db2.gz IYFKLZZFGCLYBX-ZNMIVQPWSA-N 2 0 319.320 3.718 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1C(F)(F)F)C2 ZINC000660653966 1023365900 /nfs/dbraw/zinc/36/59/00/1023365900.db2.gz WPIJYNWYSIQERU-INIZCTEOSA-N 2 0 312.379 3.623 20 0 DHADRP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000678272341 1023395870 /nfs/dbraw/zinc/39/58/70/1023395870.db2.gz DUIQMJGPBDUBDK-UHFFFAOYSA-N 2 0 302.462 3.536 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)N(c1cc[nH+]cc1C)C1CC[NH2+]CC1 ZINC001172360937 1033139368 /nfs/dbraw/zinc/13/93/68/1033139368.db2.gz LIOAAJOISHFRBY-SJORKVTESA-N 2 0 319.493 3.542 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C1CCCCC1 ZINC000651910270 1023631928 /nfs/dbraw/zinc/63/19/28/1023631928.db2.gz NLXSLROKPOBJJY-LAGDQHSMSA-N 2 0 322.537 3.824 20 0 DHADRP FCC[C@H]1CCC[N@H+](CCC[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661690132 1023688051 /nfs/dbraw/zinc/68/80/51/1023688051.db2.gz JPEWVJPYTKCDFC-CALCHBBNSA-N 2 0 302.453 3.520 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc3cc[nH]c32)cc1 ZINC000786579008 1023708717 /nfs/dbraw/zinc/70/87/17/1023708717.db2.gz MVMJNOPPAOGABS-UHFFFAOYSA-N 2 0 307.441 3.862 20 0 DHADRP C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652272780 1023725319 /nfs/dbraw/zinc/72/53/19/1023725319.db2.gz WDVKPHITSHBBGA-OAHLLOKOSA-N 2 0 302.462 3.610 20 0 DHADRP CCOCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001172423268 1033163853 /nfs/dbraw/zinc/16/38/53/1033163853.db2.gz KLRSJCLPCCRAKS-HBFSDRIKSA-N 2 0 318.505 3.549 20 0 DHADRP c1ccc(CN2CCCO[C@@H](C[NH+]3CCCCCCC3)C2)cc1 ZINC000788009642 1023836803 /nfs/dbraw/zinc/83/68/03/1023836803.db2.gz PBKXPHFPEGSSOZ-FQEVSTJZSA-N 2 0 316.489 3.544 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000788488335 1023893779 /nfs/dbraw/zinc/89/37/79/1023893779.db2.gz KQQGNUNYSPYLAV-HNNXBMFYSA-N 2 0 318.358 3.751 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788671765 1023922397 /nfs/dbraw/zinc/92/23/97/1023922397.db2.gz NOZRITJISWPATD-ZBFHGGJFSA-N 2 0 321.896 3.680 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(Cl)ccc1F)CC2 ZINC001206036243 1023930855 /nfs/dbraw/zinc/93/08/55/1023930855.db2.gz YPIUVLCYIOHDJT-UHFFFAOYSA-N 2 0 310.844 3.787 20 0 DHADRP CC[NH2+]CC1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662243879 1024025454 /nfs/dbraw/zinc/02/54/54/1024025454.db2.gz GEKQXKSGNZUARW-UHFFFAOYSA-N 2 0 312.910 3.754 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001172434889 1033175593 /nfs/dbraw/zinc/17/55/93/1033175593.db2.gz VQDHZVGIOVBZKO-AZUAARDMSA-N 2 0 318.505 3.692 20 0 DHADRP Clc1ccccc1C1([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662282705 1024062434 /nfs/dbraw/zinc/06/24/34/1024062434.db2.gz JQWOODNDLNMHJA-UHFFFAOYSA-N 2 0 312.844 3.765 20 0 DHADRP c1ccc2sc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000662295014 1024078722 /nfs/dbraw/zinc/07/87/22/1024078722.db2.gz YBNAHPAGEKIPOG-OAHLLOKOSA-N 2 0 315.486 3.508 20 0 DHADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)CCCC[NH3+])CCCC2 ZINC000925765037 1024129140 /nfs/dbraw/zinc/12/91/40/1024129140.db2.gz CTOHJMLZBHXYMZ-RHSMWYFYSA-N 2 0 320.477 3.578 20 0 DHADRP CC(C)COCC[C@H](C)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172471537 1033189285 /nfs/dbraw/zinc/18/92/85/1033189285.db2.gz LJZQXETWGXJWOF-LNLFQRSKSA-N 2 0 310.526 3.952 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001170118984 1024162194 /nfs/dbraw/zinc/16/21/94/1024162194.db2.gz VLNXEJATRNWDKM-YJBOKZPZSA-N 2 0 304.453 3.816 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc2c1CCOC2 ZINC000882892163 1024162581 /nfs/dbraw/zinc/16/25/81/1024162581.db2.gz OYDZFMDYDRCUIH-QGZVFWFLSA-N 2 0 316.489 3.504 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000790056629 1024215621 /nfs/dbraw/zinc/21/56/21/1024215621.db2.gz WMTVGVVDDKPPJZ-LJQANCHMSA-N 2 0 321.468 3.618 20 0 DHADRP Cc1cc(NCc2ccccc2C[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000790099460 1024221910 /nfs/dbraw/zinc/22/19/10/1024221910.db2.gz BHNZQRZYZQXNLU-UHFFFAOYSA-N 2 0 309.457 3.656 20 0 DHADRP Cc1cccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000269031852 1024227224 /nfs/dbraw/zinc/22/72/24/1024227224.db2.gz RZMKXYNPOZNMHX-QGZVFWFLSA-N 2 0 300.490 3.923 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269048670 1024228945 /nfs/dbraw/zinc/22/89/45/1024228945.db2.gz VHDUNRVZQDCFSQ-HXUWFJFHSA-N 2 0 314.473 3.679 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000269054740 1024232093 /nfs/dbraw/zinc/23/20/93/1024232093.db2.gz WKNYQQYQHVQTLC-CYBMUJFWSA-N 2 0 324.415 3.956 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000269061867 1024232671 /nfs/dbraw/zinc/23/26/71/1024232671.db2.gz XXJNLTDOZIGFNH-MRXNPFEDSA-N 2 0 324.472 3.540 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000269067867 1024235298 /nfs/dbraw/zinc/23/52/98/1024235298.db2.gz ZFXRSBMZQZTXOC-LLVKDONJSA-N 2 0 320.811 3.934 20 0 DHADRP OCCCCCCCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168359651 1033197730 /nfs/dbraw/zinc/19/77/30/1033197730.db2.gz DIOXOAMCTRBKOB-UHFFFAOYSA-N 2 0 310.526 3.564 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000531677152 1024266169 /nfs/dbraw/zinc/26/61/69/1024266169.db2.gz XLFNSCYIUOMAHA-PXNSSMCTSA-N 2 0 300.490 3.862 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000068691793 1024271374 /nfs/dbraw/zinc/27/13/74/1024271374.db2.gz GNAPZOQGABTRID-ZDUSSCGKSA-N 2 0 303.475 3.679 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1F ZINC000531699230 1024273579 /nfs/dbraw/zinc/27/35/79/1024273579.db2.gz IMNAOGAXOFIWTE-KBPBESRZSA-N 2 0 310.482 3.930 20 0 DHADRP Cc1cc(N2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC001170132844 1024274276 /nfs/dbraw/zinc/27/42/76/1024274276.db2.gz OGXBMBIDXGRRIX-RDJZCZTQSA-N 2 0 309.457 3.854 20 0 DHADRP c1cc2c(cc[nH+]c2N2CCC(C[NH+]3CCCCCC3)CC2)[nH]1 ZINC000663389381 1024280469 /nfs/dbraw/zinc/28/04/69/1024280469.db2.gz INZDMNBCGGHODA-UHFFFAOYSA-N 2 0 312.461 3.655 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000531717636 1024290848 /nfs/dbraw/zinc/29/08/48/1024290848.db2.gz RUWDGLDFHHLCHQ-MRXNPFEDSA-N 2 0 318.461 3.722 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000453068340 1024298880 /nfs/dbraw/zinc/29/88/80/1024298880.db2.gz YJTFJVLDQINMBU-MOPGFXCFSA-N 2 0 317.521 3.895 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172439945 1033200745 /nfs/dbraw/zinc/20/07/45/1033200745.db2.gz HFLAAPRFCYKASG-ROUUACIJSA-N 2 0 308.510 3.600 20 0 DHADRP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000883233806 1024306928 /nfs/dbraw/zinc/30/69/28/1024306928.db2.gz PPOQAZIZOAVLRP-VQIMIIECSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccncn1 ZINC000453059711 1024310483 /nfs/dbraw/zinc/31/04/83/1024310483.db2.gz MYWHSGGYJCUQDO-IAGOWNOFSA-N 2 0 324.472 3.702 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccncc1 ZINC000453065378 1024312299 /nfs/dbraw/zinc/31/22/99/1024312299.db2.gz UUBWIODLFOWUNI-LNLFQRSKSA-N 2 0 303.494 3.880 20 0 DHADRP CC[NH+]1CCC(CNc2cc(C(F)(F)F)cc(C)n2)CC1 ZINC000663418386 1024335641 /nfs/dbraw/zinc/33/56/41/1024335641.db2.gz FOCBLIMPFZIJHY-UHFFFAOYSA-N 2 0 301.356 3.553 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCCOC1 ZINC000883352218 1024397180 /nfs/dbraw/zinc/39/71/80/1024397180.db2.gz WZIXJWBHKXOFDC-LFGUQSLTSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000663467104 1024407994 /nfs/dbraw/zinc/40/79/94/1024407994.db2.gz ZOXIAUUMHIRHLW-LEUOFYLZSA-N 2 0 318.530 3.952 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000663468596 1024415045 /nfs/dbraw/zinc/41/50/45/1024415045.db2.gz MKFNLFJBQHHDRA-XLIONFOSSA-N 2 0 316.489 3.858 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469516 1024421416 /nfs/dbraw/zinc/42/14/16/1024421416.db2.gz PZYLNUJIHVUSAK-BEFAXECRSA-N 2 0 302.437 3.525 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469517 1024422384 /nfs/dbraw/zinc/42/23/84/1024422384.db2.gz PZYLNUJIHVUSAK-DNVCBOLYSA-N 2 0 302.437 3.525 20 0 DHADRP CCC[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)OC ZINC000453244206 1024423617 /nfs/dbraw/zinc/42/36/17/1024423617.db2.gz GXWWBOOPJFWHDC-MHJFOBGBSA-N 2 0 318.505 3.834 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663470523 1024425347 /nfs/dbraw/zinc/42/53/47/1024425347.db2.gz UUIZHLWOKHNYQK-APWZRJJASA-N 2 0 304.453 3.988 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172456396 1033210558 /nfs/dbraw/zinc/21/05/58/1033210558.db2.gz DPMHXDHJPRIZNA-UYAOXDASSA-N 2 0 318.505 3.549 20 0 DHADRP c1ccc([C@@H]2CCC[C@@H](C[N@H+](C3CC3)C3CC[NH2+]CC3)O2)cc1 ZINC000883416537 1024431673 /nfs/dbraw/zinc/43/16/73/1024431673.db2.gz XTXLYZYFXICGMZ-PMACEKPBSA-N 2 0 314.473 3.513 20 0 DHADRP C[N@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424452 1024434211 /nfs/dbraw/zinc/43/42/11/1024434211.db2.gz SQYMZTBMSVKDEI-LMWLFIIJSA-N 2 0 314.473 3.512 20 0 DHADRP CC[C@](C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000453300367 1024446526 /nfs/dbraw/zinc/44/65/26/1024446526.db2.gz MBSRXKMIMWDIQU-IYWMVGAKSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1cccnc1CC[NH2+][C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000453304390 1024452689 /nfs/dbraw/zinc/45/26/89/1024452689.db2.gz GBFYYJBGTCBIDZ-RXVVDRJESA-N 2 0 323.484 3.575 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000643457112 1024469550 /nfs/dbraw/zinc/46/95/50/1024469550.db2.gz WCCJFEFNUIAGSU-INIZCTEOSA-N 2 0 311.473 3.749 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001167824282 1024476817 /nfs/dbraw/zinc/47/68/17/1024476817.db2.gz DAOQBOYXDLTNRI-RBUKOAKNSA-N 2 0 318.505 3.959 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000453361136 1024486670 /nfs/dbraw/zinc/48/66/70/1024486670.db2.gz QQFDGBCQBZNQRG-QBXFWIFKSA-N 2 0 314.473 3.632 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001167825152 1024488862 /nfs/dbraw/zinc/48/88/62/1024488862.db2.gz GHLOVKPGYQPZNB-IEBWSBKVSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000271335103 1024490726 /nfs/dbraw/zinc/49/07/26/1024490726.db2.gz BCYVGBKGODOYAR-NUJGCVRESA-N 2 0 303.494 3.799 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC001167826115 1024498631 /nfs/dbraw/zinc/49/86/31/1024498631.db2.gz MJPAASWBDTUBOH-KRWDZBQOSA-N 2 0 304.478 3.702 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000453405243 1024501774 /nfs/dbraw/zinc/50/17/74/1024501774.db2.gz QESPQYYSZFZJMQ-MOPGFXCFSA-N 2 0 300.490 3.862 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2=CCCC2)[C@@H](C)C1 ZINC000453405004 1024502530 /nfs/dbraw/zinc/50/25/30/1024502530.db2.gz SHHWPIDGEAPSQI-PKOBYXMFSA-N 2 0 322.537 3.850 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453412624 1024504995 /nfs/dbraw/zinc/50/49/95/1024504995.db2.gz WCKKZQCKWQGCNI-CQSZACIVSA-N 2 0 310.432 3.750 20 0 DHADRP c1cc(C[NH2+]Cc2cc3ccccc3s2)n(-c2cc[nH+]cc2)n1 ZINC001202554739 1024509323 /nfs/dbraw/zinc/50/93/23/1024509323.db2.gz QJNWWNZVKABPNH-UHFFFAOYSA-N 2 0 320.421 3.772 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1nc2c(s1)CCCC2 ZINC000453390728 1024510501 /nfs/dbraw/zinc/51/05/01/1024510501.db2.gz DIAKLHQFQFTRDV-ZDUSSCGKSA-N 2 0 307.507 3.547 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Br)ccc1F ZINC000211897751 1024510728 /nfs/dbraw/zinc/51/07/28/1024510728.db2.gz YUPLVQHODNNKBK-LLVKDONJSA-N 2 0 317.246 3.581 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C3CCC3)CCC2)[C@H](C)C1 ZINC000453390661 1024510974 /nfs/dbraw/zinc/51/09/74/1024510974.db2.gz HCEDAULYFUQYIW-MJGOQNOKSA-N 2 0 322.537 3.683 20 0 DHADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000925784418 1024511989 /nfs/dbraw/zinc/51/19/89/1024511989.db2.gz REZOQXKKESBWIN-IRXDYDNUSA-N 2 0 308.416 3.752 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000643523115 1024520982 /nfs/dbraw/zinc/52/09/82/1024520982.db2.gz WVMAUXDWMLQITQ-SJLPKXTDSA-N 2 0 302.462 3.755 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)CC[N@@H+]1C ZINC000271506066 1024527246 /nfs/dbraw/zinc/52/72/46/1024527246.db2.gz RRIWBQROYUYIBU-WBVHZDCISA-N 2 0 302.462 3.580 20 0 DHADRP CCCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000314978147 1024534536 /nfs/dbraw/zinc/53/45/36/1024534536.db2.gz XCXGQTAQBUSKLY-GOSISDBHSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001172466848 1033218834 /nfs/dbraw/zinc/21/88/34/1033218834.db2.gz GUCDABDVWZBAOR-SFHVURJKSA-N 2 0 324.553 3.929 20 0 DHADRP Cc1ccc(C)c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000532215253 1024578097 /nfs/dbraw/zinc/57/80/97/1024578097.db2.gz IFIYZHVPKSUZHG-SFHVURJKSA-N 2 0 316.489 3.599 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCOC2(C)C)CC1 ZINC001167834349 1024585050 /nfs/dbraw/zinc/58/50/50/1024585050.db2.gz IUIMVSOAXLGVCB-QGZVFWFLSA-N 2 0 310.526 3.778 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001167835644 1024617767 /nfs/dbraw/zinc/61/77/67/1024617767.db2.gz SFVJJKQLSJVMGM-DLBZAZTESA-N 2 0 308.510 3.721 20 0 DHADRP CSC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925802618 1024623183 /nfs/dbraw/zinc/62/31/83/1024623183.db2.gz PELXQRHYWAKMBU-NUUXYWTLSA-N 2 0 310.551 3.809 20 0 DHADRP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc2cccnc12 ZINC000348880492 1024638211 /nfs/dbraw/zinc/63/82/11/1024638211.db2.gz VQWUZEYDFLBUCW-DFNIBXOVSA-N 2 0 309.457 3.600 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000648436968 1024638947 /nfs/dbraw/zinc/63/89/47/1024638947.db2.gz DISKMXFSVKPDSM-RTBURBONSA-N 2 0 304.478 3.574 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCC(=O)CC2)CC1 ZINC001167841672 1024661576 /nfs/dbraw/zinc/66/15/76/1024661576.db2.gz OEEJMNUKFVJKOV-KRWDZBQOSA-N 2 0 308.510 3.722 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666084871 1024678083 /nfs/dbraw/zinc/67/80/83/1024678083.db2.gz OLTOTSNHBZEPMM-HOCLYGCPSA-N 2 0 306.881 3.519 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001170259141 1024716214 /nfs/dbraw/zinc/71/62/14/1024716214.db2.gz BMKKBLKWMSEARA-ZDUSSCGKSA-N 2 0 313.832 3.995 20 0 DHADRP CC[C@H]1C[C@@H]([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001170247733 1024722224 /nfs/dbraw/zinc/72/22/24/1024722224.db2.gz YACBFVAUWAOGLD-OALUTQOASA-N 2 0 308.510 3.673 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)N1CCC([N@H+](C)C2CC2)CC1 ZINC001170286982 1024735526 /nfs/dbraw/zinc/73/55/26/1024735526.db2.gz GXDGXZSUGAZZQW-AWEZNQCLSA-N 2 0 306.881 3.830 20 0 DHADRP C[C@H](Cc1ccccc1Cl)N1CCC([N@H+](C)C2CC2)CC1 ZINC001170286983 1024736973 /nfs/dbraw/zinc/73/69/73/1024736973.db2.gz GXDGXZSUGAZZQW-CQSZACIVSA-N 2 0 306.881 3.830 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666172111 1024748812 /nfs/dbraw/zinc/74/88/12/1024748812.db2.gz BQOUNJXOTQAPCG-HOCLYGCPSA-N 2 0 306.881 3.519 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350511435 1024822300 /nfs/dbraw/zinc/82/23/00/1024822300.db2.gz KNASLUVWJGJERO-NHCUHLMSSA-N 2 0 323.484 3.562 20 0 DHADRP Cn1cccc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000118943893 1024934550 /nfs/dbraw/zinc/93/45/50/1024934550.db2.gz ZWAHAPZCEROTOS-UHFFFAOYSA-N 2 0 311.473 3.691 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(Cl)ccc1OC ZINC000163231900 1024978558 /nfs/dbraw/zinc/97/85/58/1024978558.db2.gz PREHBWLQPFDEIN-CJNGLKHVSA-N 2 0 310.869 3.731 20 0 DHADRP CCCC[C@@H](COC)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000539039852 1033250942 /nfs/dbraw/zinc/25/09/42/1033250942.db2.gz FWQLGBKIGJYOEA-XBMUEBEBSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000539051693 1033255378 /nfs/dbraw/zinc/25/53/78/1033255378.db2.gz AQZKJAURWMHDMM-KXBFYZLASA-N 2 0 304.453 3.771 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000353401893 1025054778 /nfs/dbraw/zinc/05/47/78/1025054778.db2.gz IYMXHKRYGBQKHK-ZBCRRDGASA-N 2 0 308.466 3.825 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000353409193 1025059116 /nfs/dbraw/zinc/05/91/16/1025059116.db2.gz VLJWFWGOEOHERT-ZUEPYMLJSA-N 2 0 308.466 3.825 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000793530741 1025108088 /nfs/dbraw/zinc/10/80/88/1025108088.db2.gz XLOGCAQIXZITTA-BHIYHBOVSA-N 2 0 316.489 3.554 20 0 DHADRP CC(C)C1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000539056325 1033259941 /nfs/dbraw/zinc/25/99/41/1033259941.db2.gz GLCUAMNOSPNXNP-MRXNPFEDSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1nc2c(s1)CCCC2 ZINC000353618578 1025156786 /nfs/dbraw/zinc/15/67/86/1025156786.db2.gz GTFWIDHDEPBKDF-HSBZDZAISA-N 2 0 307.507 3.545 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2csc(Cl)c2)CC[NH+](C)CC1 ZINC000353661714 1025182699 /nfs/dbraw/zinc/18/26/99/1025182699.db2.gz QDSUHZCCEAFEOH-NSHDSACASA-N 2 0 318.939 3.880 20 0 DHADRP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CCC1 ZINC000353828621 1025261024 /nfs/dbraw/zinc/26/10/24/1025261024.db2.gz RPHVOBWJTXFGNX-UHFFFAOYSA-N 2 0 315.505 3.591 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccccc1 ZINC000925854924 1025327405 /nfs/dbraw/zinc/32/74/05/1025327405.db2.gz BHBIFCRAOSXTHI-IRXDYDNUSA-N 2 0 304.503 3.875 20 0 DHADRP COCCC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000925273530 1025335217 /nfs/dbraw/zinc/33/52/17/1025335217.db2.gz WFTCJCDBHXIRDD-INIZCTEOSA-N 2 0 304.478 3.606 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1 ZINC001204089845 1033279305 /nfs/dbraw/zinc/27/93/05/1033279305.db2.gz RQVNXPYOOMIGAI-MISYRCLQSA-N 2 0 316.489 3.541 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CCC2 ZINC000123689560 1025394320 /nfs/dbraw/zinc/39/43/20/1025394320.db2.gz UMQGTWUFRRFIDH-MRXNPFEDSA-N 2 0 315.486 3.680 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875688 1025400912 /nfs/dbraw/zinc/40/09/12/1025400912.db2.gz MAJCFUQQLYMGIE-BJJXKVORSA-N 2 0 315.486 3.897 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]3CC[C@H]([NH3+])C3)c(C)c2c1 ZINC000925875833 1025403418 /nfs/dbraw/zinc/40/34/18/1025403418.db2.gz NTTUGDAFVSZFHU-MCIONIFRSA-N 2 0 302.418 3.528 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000885922579 1025405199 /nfs/dbraw/zinc/40/51/99/1025405199.db2.gz FIECEXIRNVYQPH-PMACEKPBSA-N 2 0 318.505 3.964 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000925876531 1025409988 /nfs/dbraw/zinc/40/99/88/1025409988.db2.gz AOQDPSBQCUZTER-UGFHNGPFSA-N 2 0 311.267 3.617 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358249 1025431747 /nfs/dbraw/zinc/43/17/47/1025431747.db2.gz ZJYMKJSUMAAZJF-CYBMUJFWSA-N 2 0 308.491 3.529 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000886008570 1025436132 /nfs/dbraw/zinc/43/61/32/1025436132.db2.gz PWVHVGOZRFPRCM-APWZRJJASA-N 2 0 308.510 3.721 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685255 1033287359 /nfs/dbraw/zinc/28/73/59/1033287359.db2.gz OGPRXLKRQSSIKH-ZNMIVQPWSA-N 2 0 307.482 3.700 20 0 DHADRP C[C@H]([NH2+]CC1(C(F)F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348365998 1025522899 /nfs/dbraw/zinc/52/28/99/1025522899.db2.gz DVPBKLRCKOQDJH-HOCLYGCPSA-N 2 0 308.416 3.532 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CC[C@H](C)OCc2ccccc2)CC1 ZINC000354848097 1025524281 /nfs/dbraw/zinc/52/42/81/1025524281.db2.gz GEWRXLFZFILMCA-SFHVURJKSA-N 2 0 318.505 3.788 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cn2c(n1)CCCC2 ZINC000924685965 1033288642 /nfs/dbraw/zinc/28/86/42/1033288642.db2.gz JKWQBCXMHXBKIB-IRXDYDNUSA-N 2 0 318.509 3.525 20 0 DHADRP CC1(C)CO[C@@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000886306080 1025586469 /nfs/dbraw/zinc/58/64/69/1025586469.db2.gz YUYDEPKIOBNGOU-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc2cccnc12 ZINC000355048872 1025592105 /nfs/dbraw/zinc/59/21/05/1025592105.db2.gz FWDHJGSJGJLOEM-UHFFFAOYSA-N 2 0 309.457 3.603 20 0 DHADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(OC)c1 ZINC000355068171 1025596469 /nfs/dbraw/zinc/59/64/69/1025596469.db2.gz QBUOWAJVBLFTSG-SFHVURJKSA-N 2 0 304.478 3.858 20 0 DHADRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(OC)cc1 ZINC000355073572 1025596961 /nfs/dbraw/zinc/59/69/61/1025596961.db2.gz ZKYUVLPBKSBEGE-GOSISDBHSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccccc1CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886489329 1025647815 /nfs/dbraw/zinc/64/78/15/1025647815.db2.gz GFYVXMPXUUZAML-UHFFFAOYSA-N 2 0 316.489 3.624 20 0 DHADRP CC(C)c1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)on1 ZINC000886527983 1025678010 /nfs/dbraw/zinc/67/80/10/1025678010.db2.gz DSIFUMJSCWAXNX-UHFFFAOYSA-N 2 0 305.466 3.685 20 0 DHADRP COC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccc(C)o1 ZINC000886534611 1025685005 /nfs/dbraw/zinc/68/50/05/1025685005.db2.gz LGPKIIUVERKRNG-TVRKMHQQSA-N 2 0 320.477 3.662 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC[C@H]2CCCCO2)CC1 ZINC000886590177 1025726596 /nfs/dbraw/zinc/72/65/96/1025726596.db2.gz PGOIGYVKJJEWFW-JLAWEPINSA-N 2 0 308.510 3.722 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000886588686 1025728320 /nfs/dbraw/zinc/72/83/20/1025728320.db2.gz XHDIHEBCYLMTGL-MJQMVNBJSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[C@H]1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886619251 1025744988 /nfs/dbraw/zinc/74/49/88/1025744988.db2.gz XQQKMXHWKBMPRF-LHQJTOJGSA-N 2 0 322.537 3.824 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886624846 1025746568 /nfs/dbraw/zinc/74/65/68/1025746568.db2.gz BGUIRWRLFVPTME-RXQRSOPUSA-N 2 0 308.510 3.577 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2noc3ccccc32)CC1 ZINC000886634800 1025749729 /nfs/dbraw/zinc/74/97/29/1025749729.db2.gz NJRPMOOBLRIBTJ-UHFFFAOYSA-N 2 0 313.445 3.715 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000886634478 1025750694 /nfs/dbraw/zinc/75/06/94/1025750694.db2.gz FPDQOOHASIXSDP-XBMUEBEBSA-N 2 0 320.521 3.865 20 0 DHADRP CC1(C)[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1(F)F ZINC000886638571 1025754230 /nfs/dbraw/zinc/75/42/30/1025754230.db2.gz XHJSAWSLUJUREG-NPCAHTBFSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806131718 1025774446 /nfs/dbraw/zinc/77/44/46/1025774446.db2.gz MHQYEPJKCPHQSR-GOEBONIOSA-N 2 0 321.896 3.967 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000237336118 1025788064 /nfs/dbraw/zinc/78/80/64/1025788064.db2.gz LEGLLEQWHCXRAP-UHFFFAOYSA-N 2 0 324.468 3.938 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)C(C)(C)C ZINC000806140957 1025800505 /nfs/dbraw/zinc/80/05/05/1025800505.db2.gz OGRISHXPYIPDDZ-UKRRQHHQSA-N 2 0 309.885 3.678 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167915820 1025809127 /nfs/dbraw/zinc/80/91/27/1025809127.db2.gz DNDBRPVQIPYRMC-PECIQYQJSA-N 2 0 302.437 3.696 20 0 DHADRP COC1CCN(C(C)(C)C[NH2+]CC2(C)CCCCCC2)CC1 ZINC000355675719 1025809987 /nfs/dbraw/zinc/80/99/87/1025809987.db2.gz ARUDZSHRMIKMLY-UHFFFAOYSA-N 2 0 310.526 3.826 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000136601470 1025873174 /nfs/dbraw/zinc/87/31/74/1025873174.db2.gz UITKDPRQSRCCQM-ZIFCJYIRSA-N 2 0 309.457 3.643 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2c(C)noc2C)CC1)CC1CC1 ZINC000355899939 1025879534 /nfs/dbraw/zinc/87/95/34/1025879534.db2.gz JZPFEAFBQQLESW-UHFFFAOYSA-N 2 0 319.493 3.625 20 0 DHADRP CSc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000356128674 1025958903 /nfs/dbraw/zinc/95/89/03/1025958903.db2.gz AENXUXBOPHUTOK-CQSZACIVSA-N 2 0 310.532 3.920 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195132992 1025990808 /nfs/dbraw/zinc/99/08/08/1025990808.db2.gz DOLWSYTZGIYOTR-MJGOQNOKSA-N 2 0 309.457 3.563 20 0 DHADRP COC1(C[C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)CCC1 ZINC000429414905 1026072668 /nfs/dbraw/zinc/07/26/68/1026072668.db2.gz GVLUHQNGWBYIAJ-QGZVFWFLSA-N 2 0 310.526 3.682 20 0 DHADRP C[N@H+](CC[C@H]1CCCO1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411619077 1026082633 /nfs/dbraw/zinc/08/26/33/1026082633.db2.gz MKIMSUCVKTUBNO-HXUWFJFHSA-N 2 0 316.489 3.673 20 0 DHADRP CSCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245766498 1026202608 /nfs/dbraw/zinc/20/26/08/1026202608.db2.gz WLCQRMMQPHMDRE-NNZMDNLPSA-N 2 0 304.503 3.525 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261760809 1026296149 /nfs/dbraw/zinc/29/61/49/1026296149.db2.gz CZHCEJAMMNLYSD-IMJJTQAJSA-N 2 0 312.379 3.573 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1Cl ZINC000576436551 1026302490 /nfs/dbraw/zinc/30/24/90/1026302490.db2.gz UWMVSTGZRZEUTA-CYBMUJFWSA-N 2 0 310.869 3.874 20 0 DHADRP CCCCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)(C)C ZINC000808706321 1026358860 /nfs/dbraw/zinc/35/88/60/1026358860.db2.gz HBRPZJSQNJJJPQ-QRVBRYPASA-N 2 0 324.553 3.949 20 0 DHADRP Clc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204727707 1026374553 /nfs/dbraw/zinc/37/45/53/1026374553.db2.gz LAAVXWUIJUCUDT-UHFFFAOYSA-N 2 0 313.272 3.959 20 0 DHADRP Cc1nc([C@@H](C)N(C)CCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000647847431 1026524827 /nfs/dbraw/zinc/52/48/27/1026524827.db2.gz QAHJAJOBRVEGKZ-GFCCVEGCSA-N 2 0 307.825 3.645 20 0 DHADRP C[C@H]1C[C@H](CC[NH2+]C2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000513545757 1026537511 /nfs/dbraw/zinc/53/75/11/1026537511.db2.gz SIVWPMWQONCIQJ-WMZOPIPTSA-N 2 0 318.530 3.772 20 0 DHADRP CCC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OC)cc1 ZINC000414196157 1026546745 /nfs/dbraw/zinc/54/67/45/1026546745.db2.gz WWQTXFKFKYMMEK-LJQANCHMSA-N 2 0 309.413 3.974 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]3c3ccco3)CC2)C1 ZINC000414338273 1026556835 /nfs/dbraw/zinc/55/68/35/1026556835.db2.gz LRXAEEZEQOAPHM-DZJNRPSUSA-N 2 0 302.462 3.768 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000513679667 1026559649 /nfs/dbraw/zinc/55/96/49/1026559649.db2.gz ZAEOHIXWZLKZFS-ZLPCBKJTSA-N 2 0 304.478 3.997 20 0 DHADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000513691155 1026617715 /nfs/dbraw/zinc/61/77/15/1026617715.db2.gz RQYNMDBWTPDMHG-ZCNNSNEGSA-N 2 0 316.489 3.651 20 0 DHADRP CCCCCC[C@H](CC)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001170588884 1026636400 /nfs/dbraw/zinc/63/64/00/1026636400.db2.gz VIGYZPNGBNMAEK-NSHDSACASA-N 2 0 304.529 3.620 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280381943 1026642112 /nfs/dbraw/zinc/64/21/12/1026642112.db2.gz WFFWXKBTQRCFGP-QXCFHYIPSA-N 2 0 302.437 3.678 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894240647 1026652525 /nfs/dbraw/zinc/65/25/25/1026652525.db2.gz BPKAOTPEYCVDGW-UHFFFAOYSA-N 2 0 323.484 3.786 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC[NH+](C)CC1 ZINC000810253548 1026732096 /nfs/dbraw/zinc/73/20/96/1026732096.db2.gz WPSZZBNWGKROSH-YESZJQIVSA-N 2 0 310.551 3.762 20 0 DHADRP Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420218164 1026790566 /nfs/dbraw/zinc/79/05/66/1026790566.db2.gz OZJIRLXKMOXFLY-QWHCGFSZSA-N 2 0 303.837 3.679 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](c3ccccc3C)C2)cc1 ZINC000420297782 1026797680 /nfs/dbraw/zinc/79/76/80/1026797680.db2.gz GEQDPSURDYNLAU-RBUKOAKNSA-N 2 0 324.468 3.535 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000420302874 1026800903 /nfs/dbraw/zinc/80/09/03/1026800903.db2.gz JUSUVJFKQYTRBW-TZIWHRDSSA-N 2 0 324.468 3.883 20 0 DHADRP Cc1ncsc1C[N@H+](CCCC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC000420308011 1026801046 /nfs/dbraw/zinc/80/10/46/1026801046.db2.gz JOHIQHZWEANCSF-HNNXBMFYSA-N 2 0 309.523 3.689 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000420317131 1026803751 /nfs/dbraw/zinc/80/37/51/1026803751.db2.gz NGQYCAXBQPIIFW-AZUAARDMSA-N 2 0 310.441 3.575 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388895 1026812739 /nfs/dbraw/zinc/81/27/39/1026812739.db2.gz XIAXAYNPXLCPND-OAQYLSRUSA-N 2 0 304.437 3.832 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420413942 1026813992 /nfs/dbraw/zinc/81/39/92/1026813992.db2.gz UCZXTRKWGGXHRE-DZGCQCFKSA-N 2 0 300.368 3.541 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](C)c2cccc(C)c2C)cc1 ZINC000420415728 1026814298 /nfs/dbraw/zinc/81/42/98/1026814298.db2.gz VDGDMHCKQBGSSV-AEFFLSMTSA-N 2 0 312.457 3.705 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000421377823 1026970142 /nfs/dbraw/zinc/97/01/42/1026970142.db2.gz SBKJYGXIBWVGCW-RRENTHDGSA-N 2 0 315.505 3.879 20 0 DHADRP FC(F)C1CC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000811518984 1027020485 /nfs/dbraw/zinc/02/04/85/1027020485.db2.gz UJFFMTUCHVCPGB-WWDZGPRUSA-N 2 0 322.443 3.922 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCCC1 ZINC000421821448 1027057026 /nfs/dbraw/zinc/05/70/26/1027057026.db2.gz RLKHWIVRSAOGJG-QGZVFWFLSA-N 2 0 316.489 3.720 20 0 DHADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000421831736 1027060829 /nfs/dbraw/zinc/06/08/29/1027060829.db2.gz LTNGFIMTCZZLPD-MRXNPFEDSA-N 2 0 308.510 3.721 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C(C)C)c(F)c1 ZINC000421851698 1027066405 /nfs/dbraw/zinc/06/64/05/1027066405.db2.gz GCFOHYRNPVKNSO-KXBFYZLASA-N 2 0 322.468 3.853 20 0 DHADRP COc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)c(F)c1 ZINC000421857604 1027067596 /nfs/dbraw/zinc/06/75/96/1027067596.db2.gz PJUSMGSOCDEUFJ-QBXFWIFKSA-N 2 0 320.452 3.746 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C2CC2)c(F)c1 ZINC000421856924 1027067837 /nfs/dbraw/zinc/06/78/37/1027067837.db2.gz OSNKGCFYHYPXPO-LIRRHRJNSA-N 2 0 320.452 3.607 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000421855861 1027068004 /nfs/dbraw/zinc/06/80/04/1027068004.db2.gz NDLHFKQZSVVOPV-RJPYNODJSA-N 2 0 310.844 3.625 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C(C)C)c(F)c1 ZINC000421849306 1027076861 /nfs/dbraw/zinc/07/68/61/1027076861.db2.gz BSWHFZARPDQTIE-IBGZPJMESA-N 2 0 322.468 3.995 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(C)ccc1OC ZINC000421877433 1027078190 /nfs/dbraw/zinc/07/81/90/1027078190.db2.gz LUVOYJXNAHMJQJ-HTWSVDAQSA-N 2 0 304.478 3.917 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CCC2 ZINC000421880727 1027078629 /nfs/dbraw/zinc/07/86/29/1027078629.db2.gz QUDXVQIUGCMUQY-JXQTWKCFSA-N 2 0 307.507 3.545 20 0 DHADRP CCCC[C@H](CC)[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001257425767 1027105860 /nfs/dbraw/zinc/10/58/60/1027105860.db2.gz YTBXCDCVTAXXJX-IBGZPJMESA-N 2 0 311.558 3.695 20 0 DHADRP Cc1nccn1CC[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000271783852 1027144879 /nfs/dbraw/zinc/14/48/79/1027144879.db2.gz LEZHIICXGIMAFY-HNNXBMFYSA-N 2 0 306.413 3.604 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170657899 1027156903 /nfs/dbraw/zinc/15/69/03/1027156903.db2.gz HMUNVXCCFWKVMV-QGZVFWFLSA-N 2 0 322.443 3.534 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000572200938 1027181796 /nfs/dbraw/zinc/18/17/96/1027181796.db2.gz MLLSAHISMCLWSZ-BEFAXECRSA-N 2 0 311.473 3.867 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000562047215 1027198351 /nfs/dbraw/zinc/19/83/51/1027198351.db2.gz IIUYJUDZGBRBOK-TUVASFSCSA-N 2 0 306.416 3.675 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccc(OC)cc1 ZINC000573258383 1027273853 /nfs/dbraw/zinc/27/38/53/1027273853.db2.gz YYZYQTDYIIATHG-HXUWFJFHSA-N 2 0 310.441 3.582 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(-c3ccncc3)c2)C[C@H]1C[NH3+] ZINC000422562677 1027285412 /nfs/dbraw/zinc/28/54/12/1027285412.db2.gz QQPKCIRZPYQDHX-JXXFODFXSA-N 2 0 309.457 3.554 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000573512146 1027302242 /nfs/dbraw/zinc/30/22/42/1027302242.db2.gz SGZVZUMJQVAESL-XUVXKRRUSA-N 2 0 316.489 3.746 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422714618 1027302622 /nfs/dbraw/zinc/30/26/22/1027302622.db2.gz REVUAEPBWRAXFS-DNVCBOLYSA-N 2 0 314.448 3.651 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000422759340 1027305925 /nfs/dbraw/zinc/30/59/25/1027305925.db2.gz JSVIOZRDQWNXSR-KRWDZBQOSA-N 2 0 300.471 3.682 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)cc1F ZINC000422759890 1027307401 /nfs/dbraw/zinc/30/74/01/1027307401.db2.gz KJVCIQCFHZTMMK-KPZWWZAWSA-N 2 0 319.399 3.929 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000422749012 1027311548 /nfs/dbraw/zinc/31/15/48/1027311548.db2.gz WZYMYBVNAWMPPK-VXGBXAGGSA-N 2 0 303.837 3.914 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422754893 1027313198 /nfs/dbraw/zinc/31/31/98/1027313198.db2.gz BBOARGYTGIPBDA-APWZRJJASA-N 2 0 314.498 3.635 20 0 DHADRP c1cc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)ccn1 ZINC000422755416 1027313688 /nfs/dbraw/zinc/31/36/88/1027313688.db2.gz BPGGGVSQWZWBOM-NJDAHSKKSA-N 2 0 321.468 3.759 20 0 DHADRP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422773003 1027315914 /nfs/dbraw/zinc/31/59/14/1027315914.db2.gz ZZZITFCSZMOYRL-WFASDCNBSA-N 2 0 318.383 3.500 20 0 DHADRP Clc1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422772190 1027316329 /nfs/dbraw/zinc/31/63/29/1027316329.db2.gz RVAGQGGMVYECHQ-ZACQAIPSSA-N 2 0 324.921 3.942 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422779337 1027317936 /nfs/dbraw/zinc/31/79/36/1027317936.db2.gz FXFJCUSMBBFEAL-QWHCGFSZSA-N 2 0 320.383 3.973 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775258 1027318059 /nfs/dbraw/zinc/31/80/59/1027318059.db2.gz AWOCTEVTKJCNFH-DJIMGWMZSA-N 2 0 321.896 3.558 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422798031 1027322622 /nfs/dbraw/zinc/32/26/22/1027322622.db2.gz PLSYPQRHCNTKNM-NKGKWGDASA-N 2 0 322.880 3.618 20 0 DHADRP Clc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422764313 1027323711 /nfs/dbraw/zinc/32/37/11/1027323711.db2.gz OGSXFKRMZZIKMX-RCCFBDPRSA-N 2 0 306.881 3.783 20 0 DHADRP [NH3+][C@H]1C[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000422802248 1027325428 /nfs/dbraw/zinc/32/54/28/1027325428.db2.gz DDXCDSUPJFGRFK-LEWJYISDSA-N 2 0 321.468 3.517 20 0 DHADRP Cc1cccc(Oc2cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccn2)c1C ZINC000422803440 1027327160 /nfs/dbraw/zinc/32/71/60/1027327160.db2.gz FYNQKAGPUROKND-HUUCEWRRSA-N 2 0 313.445 3.706 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422804600 1027327475 /nfs/dbraw/zinc/32/74/75/1027327475.db2.gz HRMZXZPYJILVGU-LLVKDONJSA-N 2 0 319.449 3.561 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)cs1 ZINC000422800536 1027328563 /nfs/dbraw/zinc/32/85/63/1027328563.db2.gz CCPDXXKIVGSQEP-ZLIFDBKOSA-N 2 0 315.486 3.897 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422804344 1027328840 /nfs/dbraw/zinc/32/88/40/1027328840.db2.gz HLHIPCCETNBSMD-WDSOQIARSA-N 2 0 304.478 3.570 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422810347 1027330007 /nfs/dbraw/zinc/33/00/07/1027330007.db2.gz RQBSBDZTZDEEBK-AFYVEPGGSA-N 2 0 316.489 3.583 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422827601 1027333619 /nfs/dbraw/zinc/33/36/19/1027333619.db2.gz SJJUAXMRJUQOSN-MJGOQNOKSA-N 2 0 321.553 3.684 20 0 DHADRP CCO[C@H](CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000422816613 1027337554 /nfs/dbraw/zinc/33/75/54/1027337554.db2.gz BAORHEBBGBUKLJ-CEXWTWQISA-N 2 0 302.462 3.706 20 0 DHADRP Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C2CC2)cc1 ZINC000422816175 1027338556 /nfs/dbraw/zinc/33/85/56/1027338556.db2.gz ZHOIFUUQLUEAIS-FOIQADDNSA-N 2 0 309.457 3.959 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422847314 1027338759 /nfs/dbraw/zinc/33/87/59/1027338759.db2.gz RDWZGBJXLCZYLQ-CEXWTWQISA-N 2 0 316.464 3.758 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422862927 1027344087 /nfs/dbraw/zinc/34/40/87/1027344087.db2.gz OFKYSRHEMXCETL-LEWJYISDSA-N 2 0 324.468 3.620 20 0 DHADRP CCOCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000573956372 1027347780 /nfs/dbraw/zinc/34/77/80/1027347780.db2.gz YHFCVASIQICEBV-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP c1[nH]c2ccccc2c1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422884166 1027350179 /nfs/dbraw/zinc/35/01/79/1027350179.db2.gz DLWXJLPWZPXVQU-RLLQIKCJSA-N 2 0 311.473 3.611 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422875085 1027353706 /nfs/dbraw/zinc/35/37/06/1027353706.db2.gz BSCRUQNWSYXVNR-INIZCTEOSA-N 2 0 306.494 3.716 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422869603 1027354158 /nfs/dbraw/zinc/35/41/58/1027354158.db2.gz XQAQXPZFWJOLBE-VXGBXAGGSA-N 2 0 315.442 3.772 20 0 DHADRP Cc1csc(CCCC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000422911880 1027358744 /nfs/dbraw/zinc/35/87/44/1027358744.db2.gz UQFXTYBMAXCURQ-ZBFHGGJFSA-N 2 0 309.523 3.675 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1C(F)(F)F ZINC000422927198 1027360413 /nfs/dbraw/zinc/36/04/13/1027360413.db2.gz YHPYEGYUKNPRTL-PNESKVBLSA-N 2 0 300.368 3.874 20 0 DHADRP COc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422937935 1027365561 /nfs/dbraw/zinc/36/55/61/1027365561.db2.gz DISRGHSGUFIZOL-SLFFLAALSA-N 2 0 316.489 3.528 20 0 DHADRP COc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422937936 1027368305 /nfs/dbraw/zinc/36/83/05/1027368305.db2.gz DISRGHSGUFIZOL-VAMGGRTRSA-N 2 0 316.489 3.528 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1OCC(C)C ZINC000422942403 1027370031 /nfs/dbraw/zinc/37/00/31/1027370031.db2.gz PSJGCXMPDWOAHZ-CABCVRRESA-N 2 0 308.466 3.508 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000422940001 1027370753 /nfs/dbraw/zinc/37/07/53/1027370753.db2.gz MRQGIANOMLZWGH-NEPJUHHUSA-N 2 0 311.267 3.544 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccccn2)CC1 ZINC000362760526 1027376263 /nfs/dbraw/zinc/37/62/63/1027376263.db2.gz VTDFULOMWMVERU-FQEVSTJZSA-N 2 0 309.457 3.568 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccc(C(C)(C)C)cc2)CCC1)C1C[NH2+]C1 ZINC000422949152 1027376801 /nfs/dbraw/zinc/37/68/01/1027376801.db2.gz UESSKOQOPXJZCP-OAHLLOKOSA-N 2 0 300.490 3.603 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000422969861 1027383310 /nfs/dbraw/zinc/38/33/10/1027383310.db2.gz DSISNQUBGBYDHM-AWEZNQCLSA-N 2 0 321.424 3.960 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422978954 1027383921 /nfs/dbraw/zinc/38/39/21/1027383921.db2.gz LDKAULDDJOTHNR-WTGUMLROSA-N 2 0 315.505 3.633 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C(F)F)cc2)CC[NH+](C)CC1 ZINC000577546870 1027386068 /nfs/dbraw/zinc/38/60/68/1027386068.db2.gz IUORFMSDMAUWKH-UHFFFAOYSA-N 2 0 314.445 3.541 20 0 DHADRP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000838 1027387831 /nfs/dbraw/zinc/38/78/31/1027387831.db2.gz VTJFWKPCAPHTHH-HXIDAQGESA-N 2 0 314.473 3.558 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1)C1C[NH2+]C1 ZINC000423020255 1027395535 /nfs/dbraw/zinc/39/55/35/1027395535.db2.gz ZLNSZZXGGVOJHW-CYBMUJFWSA-N 2 0 316.445 3.674 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000423024968 1027397571 /nfs/dbraw/zinc/39/75/71/1027397571.db2.gz KLORPFZNKATRQC-VKJFTORMSA-N 2 0 316.489 3.630 20 0 DHADRP Fc1ccccc1NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423039013 1027399198 /nfs/dbraw/zinc/39/91/98/1027399198.db2.gz ZSRJNPVILSPEIU-CGTJXYLNSA-N 2 0 319.468 3.528 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)cn(C)c2c1 ZINC000423064239 1027402762 /nfs/dbraw/zinc/40/27/62/1027402762.db2.gz YOTOTVJUTAEXBO-PMACEKPBSA-N 2 0 319.452 3.764 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423066917 1027407277 /nfs/dbraw/zinc/40/72/77/1027407277.db2.gz YBFQXDQGFPQUCU-JKSUJKDBSA-N 2 0 310.844 3.760 20 0 DHADRP C1C[NH2+][C@H]([C@H]2COCC[C@H]2[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000423074484 1027407767 /nfs/dbraw/zinc/40/77/67/1027407767.db2.gz UUUMSIFDNYEMOX-CEXWTWQISA-N 2 0 320.521 3.626 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095116 1027414505 /nfs/dbraw/zinc/41/45/05/1027414505.db2.gz DHQPTUTVDUIUQJ-VWLISTAJSA-N 2 0 310.844 3.832 20 0 DHADRP COCCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423099238 1027414621 /nfs/dbraw/zinc/41/46/21/1027414621.db2.gz FFSZIEOLXHWVFK-SQWLQELKSA-N 2 0 312.885 3.566 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423101724 1027418673 /nfs/dbraw/zinc/41/86/73/1027418673.db2.gz IYUXNUBYXTZVRA-IAQYHMDHSA-N 2 0 316.367 3.753 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423124281 1027420836 /nfs/dbraw/zinc/42/08/36/1027420836.db2.gz ODEFRPBGYWFCNQ-ARFHVFGLSA-N 2 0 314.395 3.515 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000423126095 1027420998 /nfs/dbraw/zinc/42/09/98/1027420998.db2.gz APRWRQBPHFESFK-UHIISALHSA-N 2 0 301.261 3.814 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000423125923 1027421150 /nfs/dbraw/zinc/42/11/50/1027421150.db2.gz IMNRSLGZOSBAKG-BSXFFOKHSA-N 2 0 322.518 3.651 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423126926 1027422144 /nfs/dbraw/zinc/42/21/44/1027422144.db2.gz BGAUTQCLPNENBS-OAGGEKHMSA-N 2 0 314.395 3.972 20 0 DHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC000423128947 1027424856 /nfs/dbraw/zinc/42/48/56/1027424856.db2.gz LKEQDTVABXAMRV-YSSFQJQWSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)(C)C1CC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423130536 1027426204 /nfs/dbraw/zinc/42/62/04/1027426204.db2.gz GSGHQOKDMBMGHQ-GXKRMFDSSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423145789 1027427580 /nfs/dbraw/zinc/42/75/80/1027427580.db2.gz MLIBNLNEJXIVPY-SCWSEQNSSA-N 2 0 308.469 3.655 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423111590 1027428903 /nfs/dbraw/zinc/42/89/03/1027428903.db2.gz QQNLZRNOLKHCKT-FRQCXROJSA-N 2 0 304.478 3.555 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423150625 1027431763 /nfs/dbraw/zinc/43/17/63/1027431763.db2.gz BMUSHRMEJLFITA-FZZYSBJUSA-N 2 0 323.278 3.712 20 0 DHADRP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157422 1027431880 /nfs/dbraw/zinc/43/18/80/1027431880.db2.gz BAECQSABLVDNTO-BTHPGYMESA-N 2 0 314.473 3.657 20 0 DHADRP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157424 1027432687 /nfs/dbraw/zinc/43/26/87/1027432687.db2.gz BAECQSABLVDNTO-GSEOLPGOSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423136487 1027434875 /nfs/dbraw/zinc/43/48/75/1027434875.db2.gz PGAYZZKYMMPXSU-VNQPRFMTSA-N 2 0 314.395 3.700 20 0 DHADRP [NH3+]CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423184750 1027437095 /nfs/dbraw/zinc/43/70/95/1027437095.db2.gz IOKDKLJSPSPXPG-HUUCEWRRSA-N 2 0 300.368 3.670 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423173107 1027437507 /nfs/dbraw/zinc/43/75/07/1027437507.db2.gz WXZUPYLHUTXEHU-SBHAEUEKSA-N 2 0 322.452 3.983 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000423164204 1027437593 /nfs/dbraw/zinc/43/75/93/1027437593.db2.gz SIDQYCPQSLBYER-NXWXRZEISA-N 2 0 316.489 3.842 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423173647 1027438061 /nfs/dbraw/zinc/43/80/61/1027438061.db2.gz ZNNVVWSQTQERRH-BHIYHBOVSA-N 2 0 315.505 3.780 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)c1 ZINC000362913278 1027439993 /nfs/dbraw/zinc/43/99/93/1027439993.db2.gz LVBAWDXYNYYVPM-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423174409 1027441740 /nfs/dbraw/zinc/44/17/40/1027441740.db2.gz CASSUBINKNNABQ-KTALTATCSA-N 2 0 304.865 3.849 20 0 DHADRP COCCC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1 ZINC000423174611 1027442366 /nfs/dbraw/zinc/44/23/66/1027442366.db2.gz BJJOVFWLZTZTAQ-KRWDZBQOSA-N 2 0 308.441 3.545 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423212391 1027449650 /nfs/dbraw/zinc/44/96/50/1027449650.db2.gz LRMJTPZDNYWTQT-YJBOKZPZSA-N 2 0 302.462 3.613 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423198053 1027453495 /nfs/dbraw/zinc/45/34/95/1027453495.db2.gz CRIAHDCDYSIIOR-HIFRSBDPSA-N 2 0 300.368 3.541 20 0 DHADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423205225 1027456348 /nfs/dbraw/zinc/45/63/48/1027456348.db2.gz DYZHIOATUFXDAY-IAGOWNOFSA-N 2 0 304.478 3.762 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423221086 1027461623 /nfs/dbraw/zinc/46/16/23/1027461623.db2.gz ZFCHLUWUKYGTEC-IUODEOHRSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423220593 1027462250 /nfs/dbraw/zinc/46/22/50/1027462250.db2.gz YJAVXOWTOCYRJR-HKUYNNGSSA-N 2 0 324.468 3.916 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220644 1027462905 /nfs/dbraw/zinc/46/29/05/1027462905.db2.gz YPWRRCOZDJUBJJ-MAUKXSAKSA-N 2 0 302.462 3.613 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423229062 1027465542 /nfs/dbraw/zinc/46/55/42/1027465542.db2.gz ADZOKZMVBBCWRB-VNQPRFMTSA-N 2 0 312.379 3.683 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423226554 1027465612 /nfs/dbraw/zinc/46/56/12/1027465612.db2.gz RDXZTJLGBBOJBD-NILFDRSVSA-N 2 0 300.368 3.668 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000423231513 1027465981 /nfs/dbraw/zinc/46/59/81/1027465981.db2.gz LKBKWISDAZGQEY-ZBCRRDGASA-N 2 0 323.278 3.686 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423223866 1027466060 /nfs/dbraw/zinc/46/60/60/1027466060.db2.gz HNLMVVHDBSWWHZ-NJZAAPMLSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000423231466 1027469316 /nfs/dbraw/zinc/46/93/16/1027469316.db2.gz LFMMJRRPCDPPRX-UHFFFAOYSA-N 3 0 309.542 3.525 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246057 1027471935 /nfs/dbraw/zinc/47/19/35/1027471935.db2.gz JTEJUFTVOZRBHB-HIFRSBDPSA-N 2 0 312.910 3.800 20 0 DHADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423245077 1027473111 /nfs/dbraw/zinc/47/31/11/1027473111.db2.gz INALZOLNBWJRGZ-SJORKVTESA-N 2 0 304.478 3.762 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423249954 1027475056 /nfs/dbraw/zinc/47/50/56/1027475056.db2.gz PPRPYJAPEFZIJE-QRWLVFNGSA-N 2 0 312.457 3.889 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250432 1027475892 /nfs/dbraw/zinc/47/58/92/1027475892.db2.gz QEPGHNRUSIAHQS-HOTGVXAUSA-N 2 0 313.489 3.813 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+][C@H](CN)C2CCCCC2)cc1OC ZINC000423261470 1027478438 /nfs/dbraw/zinc/47/84/38/1027478438.db2.gz JVDJTYGSOBNARI-RHSMWYFYSA-N 2 0 320.477 3.570 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423257345 1027478817 /nfs/dbraw/zinc/47/88/17/1027478817.db2.gz IYBAAATXODQMNG-JSGCOSHPSA-N 2 0 309.523 3.789 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CC[C@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000423255123 1027479668 /nfs/dbraw/zinc/47/96/68/1027479668.db2.gz AVOOGXJLBOTKPI-HUUCEWRRSA-N 2 0 316.445 3.790 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1OCc1ccccc1 ZINC000423253116 1027480118 /nfs/dbraw/zinc/48/01/18/1027480118.db2.gz VDHBVMFMQUYLGC-ROUUACIJSA-N 2 0 324.468 3.916 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423272407 1027489279 /nfs/dbraw/zinc/48/92/79/1027489279.db2.gz KBJQOWZQVYQZMM-WDEREUQCSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423273323 1027489473 /nfs/dbraw/zinc/48/94/73/1027489473.db2.gz KXTAOGADPASEHL-XDQVBPFNSA-N 2 0 312.910 3.873 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423293209 1027490785 /nfs/dbraw/zinc/49/07/85/1027490785.db2.gz QGTGXSVYSUNFPH-WFASDCNBSA-N 2 0 315.486 3.892 20 0 DHADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423312086 1027496221 /nfs/dbraw/zinc/49/62/21/1027496221.db2.gz CSSJCLVLSIKIEW-OAGGEKHMSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000423309430 1027496349 /nfs/dbraw/zinc/49/63/49/1027496349.db2.gz ZSCZQRPQVDWDIA-NSHDSACASA-N 2 0 306.862 3.939 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1Cl ZINC000423310693 1027496589 /nfs/dbraw/zinc/49/65/89/1027496589.db2.gz ASIXSALUUUCRGM-SUMWQHHRSA-N 2 0 310.869 3.523 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423318259 1027499391 /nfs/dbraw/zinc/49/93/91/1027499391.db2.gz DIUODNGSBPPEFW-GJZGRUSLSA-N 2 0 300.368 3.670 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423294567 1027500240 /nfs/dbraw/zinc/50/02/40/1027500240.db2.gz UVZRKXSJJQMKJL-KGLIPLIRSA-N 2 0 311.429 3.516 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423343842 1027507312 /nfs/dbraw/zinc/50/73/12/1027507312.db2.gz XISXAFIJWGKPMM-JXFKEZNVSA-N 2 0 309.457 3.789 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423344792 1027507404 /nfs/dbraw/zinc/50/74/04/1027507404.db2.gz YBUJPQHTRIGFRE-GFCCVEGCSA-N 2 0 300.368 3.746 20 0 DHADRP CC1(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC[NH2+]CC1 ZINC000423328923 1027510839 /nfs/dbraw/zinc/51/08/39/1027510839.db2.gz MLLWRZFJFCWPSR-KRWDZBQOSA-N 2 0 306.881 3.640 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423325434 1027511488 /nfs/dbraw/zinc/51/14/88/1027511488.db2.gz JSEXZCXAMPRFOX-GLJUWKHASA-N 2 0 317.502 3.768 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423333426 1027513175 /nfs/dbraw/zinc/51/31/75/1027513175.db2.gz RSJPKTLYZZPYTR-ZFWWWQNUSA-N 2 0 300.368 3.670 20 0 DHADRP [NH3+]CCCC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423337349 1027513789 /nfs/dbraw/zinc/51/37/89/1027513789.db2.gz VIADODYNSXMXSJ-QGZVFWFLSA-N 2 0 320.383 3.706 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423341484 1027513839 /nfs/dbraw/zinc/51/38/39/1027513839.db2.gz UOXVSCCUGNGOJX-CQSZACIVSA-N 2 0 319.449 3.655 20 0 DHADRP C[C@@H]([NH2+]CC1([NH3+])CCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423335108 1027514339 /nfs/dbraw/zinc/51/43/39/1027514339.db2.gz UCDZJFRKGNLNSI-MNOVXSKESA-N 2 0 317.260 3.620 20 0 DHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000423349832 1027518408 /nfs/dbraw/zinc/51/84/08/1027518408.db2.gz XSTRNORRGBFBBT-JTQLQIEISA-N 2 0 316.779 3.512 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCCS2 ZINC000423351992 1027518546 /nfs/dbraw/zinc/51/85/46/1027518546.db2.gz ZWYCGCPKESZHIE-WMZOPIPTSA-N 2 0 320.502 3.602 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423371547 1027522556 /nfs/dbraw/zinc/52/25/56/1027522556.db2.gz GOLGUWRKKKLBBT-YUTCNCBUSA-N 2 0 316.367 3.548 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296037084 1027522980 /nfs/dbraw/zinc/52/29/80/1027522980.db2.gz UAPZWLMREBQCJU-XVLXNVKGSA-N 2 0 304.453 3.608 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423371546 1027524483 /nfs/dbraw/zinc/52/44/83/1027524483.db2.gz GOLGUWRKKKLBBT-UBHSHLNASA-N 2 0 316.367 3.548 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423371545 1027525200 /nfs/dbraw/zinc/52/52/00/1027525200.db2.gz GOLGUWRKKKLBBT-IACUBPJLSA-N 2 0 316.367 3.548 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423382672 1027526157 /nfs/dbraw/zinc/52/61/57/1027526157.db2.gz DSZOKBNHGGMSES-NXHRZFHOSA-N 2 0 314.498 3.928 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423382671 1027526869 /nfs/dbraw/zinc/52/68/69/1027526869.db2.gz DSZOKBNHGGMSES-NJAFHUGGSA-N 2 0 314.498 3.928 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(SCC(F)F)cc1 ZINC000423385747 1027527247 /nfs/dbraw/zinc/52/72/47/1027527247.db2.gz GZDNKNOMUQVDLA-SLEUVZQESA-N 2 0 314.445 3.692 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(SCC(F)F)cc1 ZINC000423385745 1027528142 /nfs/dbraw/zinc/52/81/42/1027528142.db2.gz GZDNKNOMUQVDLA-HUBLWGQQSA-N 2 0 314.445 3.692 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423384376 1027528781 /nfs/dbraw/zinc/52/87/81/1027528781.db2.gz LCXSDCROSVBZKS-LBPRGKRZSA-N 2 0 316.832 3.803 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423392681 1027530697 /nfs/dbraw/zinc/53/06/97/1027530697.db2.gz LPYUNTQKSUNPRH-SNRMKQJTSA-N 2 0 304.478 3.760 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000296075549 1027534382 /nfs/dbraw/zinc/53/43/82/1027534382.db2.gz SIRJOYCYVBSZHW-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000423426528 1027538556 /nfs/dbraw/zinc/53/85/56/1027538556.db2.gz FGFGSVJKYYTQLL-CGTJXYLNSA-N 2 0 316.514 3.818 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423409714 1027540493 /nfs/dbraw/zinc/54/04/93/1027540493.db2.gz ZBAIEBHTCYALDY-BJJXKVORSA-N 2 0 312.910 3.798 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423409336 1027542111 /nfs/dbraw/zinc/54/21/11/1027542111.db2.gz YSVUIKXUGFRFKX-UHOFOFEASA-N 2 0 300.471 3.866 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423441933 1027543608 /nfs/dbraw/zinc/54/36/08/1027543608.db2.gz BKLRWXIHTZIREE-ZNMIVQPWSA-N 2 0 300.368 3.668 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCc2ccccn2)CC1 ZINC000363168211 1027543607 /nfs/dbraw/zinc/54/36/07/1027543607.db2.gz VMZRIJJXHVFWGO-OAQYLSRUSA-N 2 0 323.484 3.611 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1-c1cc(C)ccc1C ZINC000423455096 1027553631 /nfs/dbraw/zinc/55/36/31/1027553631.db2.gz MDWYNTJFVDUGJM-HZPDHXFCSA-N 2 0 314.477 3.576 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000423461760 1027555612 /nfs/dbraw/zinc/55/56/12/1027555612.db2.gz CREPLYLFRMAMIY-PEYYIBSZSA-N 2 0 323.278 3.544 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423462392 1027555632 /nfs/dbraw/zinc/55/56/32/1027555632.db2.gz PBVFFPIKARKRBT-FYWYSVISSA-N 2 0 320.864 3.659 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000423478667 1027561684 /nfs/dbraw/zinc/56/16/84/1027561684.db2.gz UIQCNFTZXODICA-ZENOOKHLSA-N 2 0 308.853 3.661 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CCCS2 ZINC000423481480 1027564076 /nfs/dbraw/zinc/56/40/76/1027564076.db2.gz WTFNQLMUMZLUAE-GRDNDAEWSA-N 2 0 320.502 3.729 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423483793 1027571058 /nfs/dbraw/zinc/57/10/58/1027571058.db2.gz ZQLJQKHJRZXFCK-DEYYWGMASA-N 2 0 302.462 3.525 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423491855 1027571265 /nfs/dbraw/zinc/57/12/65/1027571265.db2.gz ZTIWZLPOJGQZIG-AEFFLSMTSA-N 2 0 302.462 3.639 20 0 DHADRP Fc1ccc(C[NH2+]C2(C3CC3)CC2)cc1C[NH2+]C1(C2CC2)CC1 ZINC000562703046 1027576233 /nfs/dbraw/zinc/57/62/33/1027576233.db2.gz BHOAGVKCAKRSBW-UHFFFAOYSA-N 2 0 314.448 3.890 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000423523958 1027581621 /nfs/dbraw/zinc/58/16/21/1027581621.db2.gz JAJNCNOQSJKBEW-XHDPSFHLSA-N 2 0 323.278 3.729 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423539259 1027583872 /nfs/dbraw/zinc/58/38/72/1027583872.db2.gz IAGAVRMKASXDPQ-XJWCYLOLSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(-c2ccncc2)c1 ZINC000423553881 1027586502 /nfs/dbraw/zinc/58/65/02/1027586502.db2.gz WGBAHTWUIXBUJL-PSMQTCRGSA-N 2 0 321.468 3.787 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1OC(F)F ZINC000423543116 1027587606 /nfs/dbraw/zinc/58/76/06/1027587606.db2.gz MYSJFDHVFRWSKL-CTASWTNQSA-N 2 0 324.415 3.717 20 0 DHADRP Brc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)cc1 ZINC000423574518 1027589404 /nfs/dbraw/zinc/58/94/04/1027589404.db2.gz ZZBMQVLZKNUVKK-MRXNPFEDSA-N 2 0 323.278 3.632 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC000576377430 1027608213 /nfs/dbraw/zinc/60/82/13/1027608213.db2.gz VHCQWGNONPEVKN-QFIPXVFZSA-N 2 0 320.480 3.846 20 0 DHADRP Cc1cnccc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000576462623 1027617808 /nfs/dbraw/zinc/61/78/08/1027617808.db2.gz LRHFFSHUEOGJLF-QUCCMNQESA-N 2 0 323.484 3.780 20 0 DHADRP Cc1cnccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000576514108 1027625884 /nfs/dbraw/zinc/62/58/84/1027625884.db2.gz XKEHNPOYPIWDRM-LJQANCHMSA-N 2 0 315.505 3.521 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc(C[NH+](C)C)c1 ZINC000924966359 1027635632 /nfs/dbraw/zinc/63/56/32/1027635632.db2.gz DPIIKHHIRYCOLK-AUUYWEPGSA-N 2 0 310.441 3.792 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(-c2ccccn2)c1 ZINC000577026263 1027693683 /nfs/dbraw/zinc/69/36/83/1027693683.db2.gz KLFHYFBZMSMCRE-UHFFFAOYSA-N 2 0 311.473 3.912 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2c1C ZINC000577131654 1027715802 /nfs/dbraw/zinc/71/58/02/1027715802.db2.gz WEAFVCDCVBTHID-POAQFYNOSA-N 2 0 311.473 3.747 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(Cl)c2Cl)C1 ZINC000577305266 1027742971 /nfs/dbraw/zinc/74/29/71/1027742971.db2.gz GJBHJVWAPSMSBM-DOMZBBRYSA-N 2 0 313.272 3.910 20 0 DHADRP CC[C@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813881330 1027750989 /nfs/dbraw/zinc/75/09/89/1027750989.db2.gz OFOMAPXTYKOQQM-XUBOLADHSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000577500651 1027793003 /nfs/dbraw/zinc/79/30/03/1027793003.db2.gz GOBRZNLHOZGOTN-VAMGGRTRSA-N 2 0 316.489 3.622 20 0 DHADRP COCc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000364296387 1027806248 /nfs/dbraw/zinc/80/62/48/1027806248.db2.gz BRIQBKJUGQVBDI-SFTDATJTSA-N 2 0 324.468 3.616 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000527806863 1027893621 /nfs/dbraw/zinc/89/36/21/1027893621.db2.gz FXPNOXHJDLRLQL-NFAWXSAZSA-N 2 0 304.400 3.714 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CC12CC2 ZINC000527853183 1027919587 /nfs/dbraw/zinc/91/95/87/1027919587.db2.gz FEPRYHRDKABXPJ-UXLLHSPISA-N 2 0 304.503 3.738 20 0 DHADRP CC(C)[NH+]1CCC(N[C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527863547 1027924794 /nfs/dbraw/zinc/92/47/94/1027924794.db2.gz IPZKPIIWEZUZKC-QGZVFWFLSA-N 2 0 310.844 3.929 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cc3ccccc3o2)CC[NH+](C)CC1 ZINC000577803332 1027932423 /nfs/dbraw/zinc/93/24/23/1027932423.db2.gz MIQPRDKHAWETRY-AWEZNQCLSA-N 2 0 318.486 3.911 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([N@H+](Cc3cccnc3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170738049 1027986704 /nfs/dbraw/zinc/98/67/04/1027986704.db2.gz JJQODXKBWIMRPR-LMZXCBKASA-N 2 0 313.489 3.588 20 0 DHADRP COCCC1CC[NH+](C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000527936255 1027997048 /nfs/dbraw/zinc/99/70/48/1027997048.db2.gz PPAKSZKDQGDAMT-FXAWDEMLSA-N 2 0 322.537 3.778 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CCN1CCC(C(=O)c2cccs2)CC1 ZINC000366184234 1028056798 /nfs/dbraw/zinc/05/67/98/1028056798.db2.gz UHTNDTBMZHYHSP-INIZCTEOSA-N 2 0 320.502 3.517 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC(C(=O)c2cccs2)CC1 ZINC000366184236 1028059323 /nfs/dbraw/zinc/05/93/23/1028059323.db2.gz UHTNDTBMZHYHSP-MRXNPFEDSA-N 2 0 320.502 3.517 20 0 DHADRP COCCC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1 ZINC000578132816 1028065307 /nfs/dbraw/zinc/06/53/07/1028065307.db2.gz YYUGHIDZBPEOQF-IBGZPJMESA-N 2 0 316.420 3.542 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000366440608 1028076445 /nfs/dbraw/zinc/07/64/45/1028076445.db2.gz CEARSVJZHUDGSS-GZMRBYKVSA-N 2 0 306.881 3.904 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000367087670 1028135329 /nfs/dbraw/zinc/13/53/29/1028135329.db2.gz YSCRWKCFTVFNKG-YNIZLOQISA-N 2 0 322.537 3.824 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000367087457 1028135709 /nfs/dbraw/zinc/13/57/09/1028135709.db2.gz PXDLYRCDLJITHK-NBOOPKSLSA-N 2 0 322.518 3.536 20 0 DHADRP c1ccc2c(c1)OC[C@@H]2C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000367318088 1028165891 /nfs/dbraw/zinc/16/58/91/1028165891.db2.gz OUAISYYIHLFNNO-INIZCTEOSA-N 2 0 314.473 3.549 20 0 DHADRP CO[C@H]1CC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000367367964 1028171924 /nfs/dbraw/zinc/17/19/24/1028171924.db2.gz OTYIDTNHRVCKJE-PCODVIEZSA-N 2 0 316.489 3.587 20 0 DHADRP C[N@H+](CC1CCC(C(F)(F)F)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367588015 1028212344 /nfs/dbraw/zinc/21/23/44/1028212344.db2.gz VBRJDLAPGNXCNB-OZEOOWDWSA-N 2 0 318.427 3.912 20 0 DHADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCF)[C@@H]1c1cccs1 ZINC000367615133 1028214198 /nfs/dbraw/zinc/21/41/98/1028214198.db2.gz JYYBRIYRKGYZJN-KCYZZUKISA-N 2 0 310.482 3.859 20 0 DHADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H]1Cc3ccccc31)CC2)C1CC1 ZINC000367873801 1028254016 /nfs/dbraw/zinc/25/40/16/1028254016.db2.gz JLQDTQUIJXKBBH-ZWKOTPCHSA-N 2 0 310.485 3.523 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000578882728 1028264119 /nfs/dbraw/zinc/26/41/19/1028264119.db2.gz PLUWXFURTXKPRW-CVEARBPZSA-N 2 0 316.470 3.783 20 0 DHADRP C[C@@H]([NH2+]C1CC(c2ccccn2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000368031651 1028284159 /nfs/dbraw/zinc/28/41/59/1028284159.db2.gz VLWJWGORELGMLV-VEZWFGLTSA-N 2 0 313.489 3.570 20 0 DHADRP c1cc2cccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2o1 ZINC000449047668 1028310366 /nfs/dbraw/zinc/31/03/66/1028310366.db2.gz OCEWCIKLWGHZFY-QFBILLFUSA-N 2 0 310.441 3.882 20 0 DHADRP COc1cc(F)cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000449084405 1028321087 /nfs/dbraw/zinc/32/10/87/1028321087.db2.gz XPXSTXNRPQCQAP-HNNXBMFYSA-N 2 0 308.441 3.579 20 0 DHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000368260849 1028324787 /nfs/dbraw/zinc/32/47/87/1028324787.db2.gz NNPMURKBHQGMSH-RTWAWAEBSA-N 2 0 321.468 3.786 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449072422 1028333229 /nfs/dbraw/zinc/33/32/29/1028333229.db2.gz KDTLHEWRCCUGAO-IINYFYTJSA-N 2 0 323.362 3.522 20 0 DHADRP COc1ccc([C@H]2CCC[N@@H+]2CCCn2ccnc2C)cc1C ZINC000368340950 1028338580 /nfs/dbraw/zinc/33/85/80/1028338580.db2.gz QGOZYQPIPVBWHY-GOSISDBHSA-N 2 0 313.445 3.736 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C2CC(C)(c3ccc(F)cc3)C2)CC1 ZINC000368462746 1028359155 /nfs/dbraw/zinc/35/91/55/1028359155.db2.gz PXGPPOOVJYOZGZ-UHFFFAOYSA-N 2 0 304.453 3.708 20 0 DHADRP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000579258488 1028362796 /nfs/dbraw/zinc/36/27/96/1028362796.db2.gz ONCMSGVTKAIKTQ-ZAWLATJESA-N 2 0 302.462 3.545 20 0 DHADRP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2ccccc21 ZINC000449090795 1028366036 /nfs/dbraw/zinc/36/60/36/1028366036.db2.gz OKKSTDBTTNQLFF-ROUUACIJSA-N 2 0 310.441 3.565 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449096537 1028370435 /nfs/dbraw/zinc/37/04/35/1028370435.db2.gz INHVXEBEKFQPBL-OAHLLOKOSA-N 2 0 312.457 3.970 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000449121327 1028377504 /nfs/dbraw/zinc/37/75/04/1028377504.db2.gz HHUAETCNVDHVTA-SFHVURJKSA-N 2 0 314.498 3.711 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449130887 1028383421 /nfs/dbraw/zinc/38/34/21/1028383421.db2.gz IOUILAQRVAAAMF-CABCVRRESA-N 2 0 310.432 3.778 20 0 DHADRP C1CCC(OC2CCC([NH2+][C@H]3CCN(C4CCCC4)C3)CC2)C1 ZINC000449130148 1028384185 /nfs/dbraw/zinc/38/41/85/1028384185.db2.gz XSBHLOHUYAXFTG-GNZRSQJKSA-N 2 0 320.521 3.863 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449130889 1028384443 /nfs/dbraw/zinc/38/44/43/1028384443.db2.gz IOUILAQRVAAAMF-HUUCEWRRSA-N 2 0 310.432 3.778 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)CCO)CC1 ZINC000449169901 1028410716 /nfs/dbraw/zinc/41/07/16/1028410716.db2.gz PYKBWQVKHFUNEW-UHFFFAOYSA-N 2 0 312.542 3.664 20 0 DHADRP Cn1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000449172326 1028416128 /nfs/dbraw/zinc/41/61/28/1028416128.db2.gz CGIWRZIGQNUGAV-UHFFFAOYSA-N 2 0 305.510 3.794 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCCC[C@H]1C ZINC000449192739 1028431306 /nfs/dbraw/zinc/43/13/06/1028431306.db2.gz VIFFRPILPVTGLK-MEBIHWHUSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC3(CCCC3)CC2)C[C@H](C)O1 ZINC000564410551 1028435600 /nfs/dbraw/zinc/43/56/00/1028435600.db2.gz RSTUDUWNTUVMBB-ROUUACIJSA-N 2 0 322.537 3.968 20 0 DHADRP c1c2cccnc2oc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000449219936 1028462217 /nfs/dbraw/zinc/46/22/17/1028462217.db2.gz OYRULDMANQTWGZ-UHFFFAOYSA-N 2 0 321.424 3.713 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@]2(C)CCCOC2)CC1 ZINC000449223127 1028462919 /nfs/dbraw/zinc/46/29/19/1028462919.db2.gz OAAPSHZEKGNWTO-LJQANCHMSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000369707991 1028521180 /nfs/dbraw/zinc/52/11/80/1028521180.db2.gz YJRBKEAVPZFXCI-RUEOWNRQSA-N 2 0 306.881 3.904 20 0 DHADRP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000449302047 1028522812 /nfs/dbraw/zinc/52/28/12/1028522812.db2.gz UASGIULXGJPYFI-TVPLGVNVSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2ccsc2S1 ZINC000564988387 1028525605 /nfs/dbraw/zinc/52/56/05/1028525605.db2.gz IJSIGFNGGOVMHI-NHYWBVRUSA-N 2 0 304.484 3.922 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(C)CC2)CC1 ZINC000449293242 1028529617 /nfs/dbraw/zinc/52/96/17/1028529617.db2.gz GNXINSJKQUCNOE-QGZVFWFLSA-N 2 0 300.490 3.862 20 0 DHADRP Cc1cccc(CC[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000449294272 1028532990 /nfs/dbraw/zinc/53/29/90/1028532990.db2.gz KYTVYWJAXMSOLJ-OAQYLSRUSA-N 2 0 308.469 3.649 20 0 DHADRP COc1cccc2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cccc12 ZINC000449345926 1028557913 /nfs/dbraw/zinc/55/79/13/1028557913.db2.gz XUBIZHGSWCCLQZ-NRFANRHFSA-N 2 0 324.468 3.766 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000815570018 1028564704 /nfs/dbraw/zinc/56/47/04/1028564704.db2.gz OFXMNJWJTCEJSI-ZACQAIPSSA-N 2 0 322.468 3.674 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000370114185 1028565797 /nfs/dbraw/zinc/56/57/97/1028565797.db2.gz XGRIFASLGOLAPU-JLJREYHVSA-N 2 0 316.489 3.794 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1SC(C)(C)C ZINC000815619672 1028575532 /nfs/dbraw/zinc/57/55/32/1028575532.db2.gz UUJZDXTUTXTHDR-OAHLLOKOSA-N 2 0 324.534 3.806 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000370252054 1028581026 /nfs/dbraw/zinc/58/10/26/1028581026.db2.gz MLERFEHIEQGOGD-ZAAXVRCTSA-N 2 0 310.441 3.736 20 0 DHADRP CCCN(CC)C[C@@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000565804375 1028634454 /nfs/dbraw/zinc/63/44/54/1028634454.db2.gz QMDAQFZFEDBHKO-XNFNUYLZSA-N 2 0 318.505 3.897 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000370671270 1028635296 /nfs/dbraw/zinc/63/52/96/1028635296.db2.gz PENLBHFKBRUNFQ-CFVMTHIKSA-N 2 0 308.466 3.825 20 0 DHADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@@H]1c1ccccc1 ZINC000371055070 1028665488 /nfs/dbraw/zinc/66/54/88/1028665488.db2.gz QGMFUEGPPYUTAI-LPHOPBHVSA-N 2 0 316.395 3.747 20 0 DHADRP Cc1cccnc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449489002 1028703945 /nfs/dbraw/zinc/70/39/45/1028703945.db2.gz NHORMIMHLNSRHQ-XLIONFOSSA-N 2 0 315.505 3.565 20 0 DHADRP c1ccc([C@H]2CSCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000566351405 1028706524 /nfs/dbraw/zinc/70/65/24/1028706524.db2.gz YJOWUCTTXQWIGH-HXUWFJFHSA-N 2 0 324.493 3.622 20 0 DHADRP CC(C)COc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000449527258 1028759436 /nfs/dbraw/zinc/75/94/36/1028759436.db2.gz HDLSFHHJJQXJNO-UHFFFAOYSA-N 2 0 306.494 3.931 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000372056859 1028801532 /nfs/dbraw/zinc/80/15/32/1028801532.db2.gz XWKDVSZGRJHCJM-OXJNMPFZSA-N 2 0 309.457 3.569 20 0 DHADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560364 1028803747 /nfs/dbraw/zinc/80/37/47/1028803747.db2.gz JXBWJUQXCOYMMU-MZFYWZKRSA-N 2 0 304.865 3.958 20 0 DHADRP COc1ccc(C[N@H+](CCC[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000567036892 1028825376 /nfs/dbraw/zinc/82/53/76/1028825376.db2.gz KTVQVSZVFTVZSL-UHFFFAOYSA-N 2 0 304.478 3.782 20 0 DHADRP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449646116 1028877406 /nfs/dbraw/zinc/87/74/06/1028877406.db2.gz NHMOUFBFWHDMCF-DLBZAZTESA-N 2 0 312.542 3.805 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000567403892 1028887407 /nfs/dbraw/zinc/88/74/07/1028887407.db2.gz VMIAWCRBZJZCCP-NLWGTHIKSA-N 2 0 323.569 3.740 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCOC(C)(C)C)CC1 ZINC000567413592 1028890531 /nfs/dbraw/zinc/89/05/31/1028890531.db2.gz QIIUEOMWGQUYKI-UHFFFAOYSA-N 2 0 318.505 3.834 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(C)C ZINC000567752732 1028946869 /nfs/dbraw/zinc/94/68/69/1028946869.db2.gz VYJAMCKTVFWYRK-USXIJHARSA-N 2 0 320.477 3.651 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000628228202 1028949188 /nfs/dbraw/zinc/94/91/88/1028949188.db2.gz HQCWCYDEADZAFK-HNBVOPMISA-N 2 0 322.537 3.560 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000373162730 1028963702 /nfs/dbraw/zinc/96/37/02/1028963702.db2.gz DKIZDIBZKWAGPT-HKUYNNGSSA-N 2 0 316.489 3.617 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449751737 1028974355 /nfs/dbraw/zinc/97/43/55/1028974355.db2.gz AKMIITPDBYKNEL-JCHJZTRSSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000449776614 1028991044 /nfs/dbraw/zinc/99/10/44/1028991044.db2.gz OPRNRIQALSPENS-HNNXBMFYSA-N 2 0 306.413 3.735 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C=CCCCCC2)[C@@H](C)C1 ZINC000568046613 1028996849 /nfs/dbraw/zinc/99/68/49/1028996849.db2.gz SBQOTQNBMXYWLU-OTWHNJEPSA-N 2 0 308.510 3.602 20 0 DHADRP Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000628353048 1029014858 /nfs/dbraw/zinc/01/48/58/1029014858.db2.gz FQXILYRYVATOAW-IEBWSBKVSA-N 2 0 300.490 3.810 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1c(Cl)cccc1Cl ZINC000568248720 1029033025 /nfs/dbraw/zinc/03/30/25/1029033025.db2.gz YQFXRTIVXCYPOO-UTUOFQBUSA-N 2 0 301.261 3.956 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000628425220 1029053224 /nfs/dbraw/zinc/05/32/24/1029053224.db2.gz DWXARYDZIDBYMX-GOSISDBHSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000373698984 1029115600 /nfs/dbraw/zinc/11/56/00/1029115600.db2.gz WKNREQNSSIDGSC-FUMNGEBKSA-N 2 0 322.537 3.683 20 0 DHADRP Cc1[nH+]c2ccccc2c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000568733559 1029119550 /nfs/dbraw/zinc/11/95/50/1029119550.db2.gz CWOCEQLFSFMNMS-SJPCQFCGSA-N 2 0 309.457 3.913 20 0 DHADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCSC1 ZINC000411403417 1029122112 /nfs/dbraw/zinc/12/21/12/1029122112.db2.gz BPEWRXCSTGOFFN-SFHVURJKSA-N 2 0 304.503 3.610 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000568814314 1029129856 /nfs/dbraw/zinc/12/98/56/1029129856.db2.gz BYKZCUKLJDMICS-HOTGVXAUSA-N 2 0 306.519 3.659 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000569036756 1029164978 /nfs/dbraw/zinc/16/49/78/1029164978.db2.gz REQOLLIXQGMODV-UHFFFAOYSA-N 2 0 318.505 3.953 20 0 DHADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000411693721 1029184810 /nfs/dbraw/zinc/18/48/10/1029184810.db2.gz MFSBMRNGYKWLIF-YLJYHZDGSA-N 2 0 316.489 3.672 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccc(F)c(F)c2)C[C@@H]1C ZINC000569291098 1029213504 /nfs/dbraw/zinc/21/35/04/1029213504.db2.gz SEUNQLCFCZPZNK-ZHNMKYCWSA-N 2 0 308.416 3.783 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCCc2cnccc2C)CC1 ZINC000569290301 1029213976 /nfs/dbraw/zinc/21/39/76/1029213976.db2.gz MEAMOZMPLKAKMM-UHFFFAOYSA-N 2 0 317.521 3.767 20 0 DHADRP Cc1cc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000569659790 1029243959 /nfs/dbraw/zinc/24/39/59/1029243959.db2.gz OGJHVBNDHOVMBM-GOSISDBHSA-N 2 0 315.848 3.714 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000817919978 1029277328 /nfs/dbraw/zinc/27/73/28/1029277328.db2.gz XVAANDNFTMFHFM-JRPNMDOOSA-N 2 0 319.276 3.522 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000817936127 1029280019 /nfs/dbraw/zinc/28/00/19/1029280019.db2.gz GQUHKJZIZWZZQL-HZSPNIEDSA-N 2 0 307.309 3.861 20 0 DHADRP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000817934981 1029280432 /nfs/dbraw/zinc/28/04/32/1029280432.db2.gz DJOKSGKESBQQSB-HNNXBMFYSA-N 2 0 312.429 3.720 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949222 1029291374 /nfs/dbraw/zinc/29/13/74/1029291374.db2.gz OMIYCHBGUSQBJV-JLTOFOAXSA-N 2 0 312.432 3.740 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817951044 1029295876 /nfs/dbraw/zinc/29/58/76/1029295876.db2.gz ANPCVPIEUDDHAQ-HZMBPMFUSA-N 2 0 300.418 3.706 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000817930891 1029303478 /nfs/dbraw/zinc/30/34/78/1029303478.db2.gz IARQDSGWBMGAAD-DBVUQKKJSA-N 2 0 312.457 3.568 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000817971593 1029309685 /nfs/dbraw/zinc/30/96/85/1029309685.db2.gz OJKNAKRQHFJHAY-MDZLAQPJSA-N 2 0 300.418 3.792 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000817971596 1029311969 /nfs/dbraw/zinc/31/19/69/1029311969.db2.gz OJKNAKRQHFJHAY-WZRBSPASSA-N 2 0 300.418 3.792 20 0 DHADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(SC(F)F)cc1 ZINC000817975771 1029314243 /nfs/dbraw/zinc/31/42/43/1029314243.db2.gz BIZJBRMUSZYCDN-FZMZJTMJSA-N 2 0 312.429 3.794 20 0 DHADRP CCCC[N@H+](C)CC1CCN(Cc2nnc(C(C)C)s2)CC1 ZINC000450269720 1029316330 /nfs/dbraw/zinc/31/63/30/1029316330.db2.gz NTQLQZKZXWYHRE-UHFFFAOYSA-N 2 0 324.538 3.605 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)nc1 ZINC000817980898 1029316823 /nfs/dbraw/zinc/31/68/23/1029316823.db2.gz FPNFOYJDUBLPKA-BBRMVZONSA-N 2 0 303.837 3.866 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1SC(F)F ZINC000817977200 1029318357 /nfs/dbraw/zinc/31/83/57/1029318357.db2.gz DMWJFBBQOCECGR-MNOVXSKESA-N 2 0 318.433 3.788 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817982147 1029319557 /nfs/dbraw/zinc/31/95/57/1029319557.db2.gz YJSXQABMTHSCJE-CMPLNLGQSA-N 2 0 316.276 3.758 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC000817986896 1029324289 /nfs/dbraw/zinc/32/42/89/1029324289.db2.gz VMYWRMUKSYXJSL-JKSUJKDBSA-N 2 0 302.462 3.637 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000817985106 1029324600 /nfs/dbraw/zinc/32/46/00/1029324600.db2.gz AHYNAGCZLKVDCE-DARAHFNDSA-N 2 0 322.880 3.696 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2ccccc2c1 ZINC000374419454 1029331516 /nfs/dbraw/zinc/33/15/16/1029331516.db2.gz HMSMLAMPIWFEFM-QHAWAJNXSA-N 2 0 324.468 3.523 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000629515008 1029353114 /nfs/dbraw/zinc/35/31/14/1029353114.db2.gz OUAXRGUQVSZKKW-CDBNLRSOSA-N 2 0 311.267 3.568 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000629536099 1029361724 /nfs/dbraw/zinc/36/17/24/1029361724.db2.gz FBVNRKRTEFBFND-INIZCTEOSA-N 2 0 315.505 3.731 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629548124 1029363729 /nfs/dbraw/zinc/36/37/29/1029363729.db2.gz MFUOVFVWJPMLEI-BMFZPTHFSA-N 2 0 303.837 3.668 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000570442259 1029365469 /nfs/dbraw/zinc/36/54/69/1029365469.db2.gz ZZGSQYDEUBJADH-HYEGPXJVSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC(F)(F)C1 ZINC000529541018 1029381228 /nfs/dbraw/zinc/38/12/28/1029381228.db2.gz ZMGCSAOLHHZAHG-ZDUSSCGKSA-N 2 0 300.437 3.664 20 0 DHADRP Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000629654260 1029407170 /nfs/dbraw/zinc/40/71/70/1029407170.db2.gz GZEJEVDIACVZEQ-QWHCGFSZSA-N 2 0 320.786 3.608 20 0 DHADRP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910350 1029412238 /nfs/dbraw/zinc/41/22/38/1029412238.db2.gz GEPAKJNEUQPOPR-INIZCTEOSA-N 2 0 318.892 3.791 20 0 DHADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170914286 1029435054 /nfs/dbraw/zinc/43/50/54/1029435054.db2.gz IQKGZJIKVAPNIS-HRCADAONSA-N 2 0 306.881 3.660 20 0 DHADRP Cc1cc(C)cc([C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000819049235 1029457644 /nfs/dbraw/zinc/45/76/44/1029457644.db2.gz IMVMIVUMJXSDFU-HXUWFJFHSA-N 2 0 318.505 3.583 20 0 DHADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC(F)(F)C1 ZINC000450452773 1029486321 /nfs/dbraw/zinc/48/63/21/1029486321.db2.gz IDGGOIXOSIRRRE-ZWKOTPCHSA-N 2 0 322.443 3.876 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2CCC(=O)CC2)CC1)CC1CC1 ZINC000450652862 1029597184 /nfs/dbraw/zinc/59/71/84/1029597184.db2.gz NQJZJIIUCFAHHV-UHFFFAOYSA-N 2 0 320.521 3.580 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724326 1029636948 /nfs/dbraw/zinc/63/69/48/1029636948.db2.gz GFKJZAJGVVKAGM-KKUMJFAQSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@@H]([NH2+]CCc1ccccc1F)c1cccc(C[NH+](C)C)c1 ZINC000820805292 1029767251 /nfs/dbraw/zinc/76/72/51/1029767251.db2.gz HVBSEHSUMTZCMQ-OAHLLOKOSA-N 2 0 300.421 3.781 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820810833 1029768789 /nfs/dbraw/zinc/76/87/89/1029768789.db2.gz GAEGLENKEZOMHB-CHWSQXEVSA-N 2 0 301.434 3.765 20 0 DHADRP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811677 1029769230 /nfs/dbraw/zinc/76/92/30/1029769230.db2.gz ULJVGPBWRDMCDV-KGLIPLIRSA-N 2 0 315.461 3.635 20 0 DHADRP Cc1noc(C)c1CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812481 1029769688 /nfs/dbraw/zinc/76/96/88/1029769688.db2.gz MIEKKTXTCWCOSK-AWEZNQCLSA-N 2 0 315.461 3.636 20 0 DHADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820825308 1029770072 /nfs/dbraw/zinc/77/00/72/1029770072.db2.gz ZMBRSAHAEOZDTB-DBVUQKKJSA-N 2 0 318.505 3.850 20 0 DHADRP Cc1nc(C)c(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000820812865 1029770509 /nfs/dbraw/zinc/77/05/09/1029770509.db2.gz UMEHHDWTSSADIG-LBPRGKRZSA-N 2 0 303.475 3.672 20 0 DHADRP CSc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820813033 1029770676 /nfs/dbraw/zinc/77/06/76/1029770676.db2.gz XISPYAOLQVJPKE-ZNXRZULTSA-N 2 0 316.514 3.964 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC/C=C\c2ccc(Br)cc2)C1 ZINC000530214290 1029785875 /nfs/dbraw/zinc/78/58/75/1029785875.db2.gz XDABDAPRWCNTRJ-QBRXNVQHSA-N 2 0 323.278 3.712 20 0 DHADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000530219076 1029786916 /nfs/dbraw/zinc/78/69/16/1029786916.db2.gz YXFUVVSULRMWFL-DJIMGWMZSA-N 2 0 304.865 3.850 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)C[C@](C)(C[NH3+])C1 ZINC001170956340 1029791228 /nfs/dbraw/zinc/79/12/28/1029791228.db2.gz VWFPLQDMDJOUOL-FTRWYGJKSA-N 2 0 318.480 3.816 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000530279371 1029800768 /nfs/dbraw/zinc/80/07/68/1029800768.db2.gz APHOEKWAEAOPDE-IBGZPJMESA-N 2 0 302.437 3.667 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000121685078 1029813802 /nfs/dbraw/zinc/81/38/02/1029813802.db2.gz HVXDHZPYSNSCEL-KRWDZBQOSA-N 2 0 304.503 3.935 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170969438 1029864040 /nfs/dbraw/zinc/86/40/40/1029864040.db2.gz ICXSLJNSAYHQEE-GOSISDBHSA-N 2 0 318.480 3.641 20 0 DHADRP c1ccc(C[NH+]2CCC(CC[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000865717658 1029985504 /nfs/dbraw/zinc/98/55/04/1029985504.db2.gz HXIUPJNYONFJEX-LJQANCHMSA-N 2 0 318.530 3.631 20 0 DHADRP CC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000865789855 1030028885 /nfs/dbraw/zinc/02/88/85/1030028885.db2.gz WXQBFTSJPPYBGV-UHFFFAOYSA-N 2 0 324.459 3.965 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290420741 1030044769 /nfs/dbraw/zinc/04/47/69/1030044769.db2.gz USCCXPXQOWFJRU-HKUYNNGSSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120908420 1030130629 /nfs/dbraw/zinc/13/06/29/1030130629.db2.gz KDVMZNMSEFQRSQ-ZDUSSCGKSA-N 2 0 312.498 3.897 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3c2nccc3Cl)c1 ZINC000924607121 1030138787 /nfs/dbraw/zinc/13/87/87/1030138787.db2.gz HNSGNNBWYCRRMX-KRWDZBQOSA-N 2 0 315.848 3.574 20 0 DHADRP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC(C)(C)C[NH+](C)C ZINC000866212879 1030163056 /nfs/dbraw/zinc/16/30/56/1030163056.db2.gz KJKOLAADOBBFOZ-INIZCTEOSA-N 2 0 313.489 3.733 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000924706011 1030165273 /nfs/dbraw/zinc/16/52/73/1030165273.db2.gz FNPQTDDDMOIRLI-AWEZNQCLSA-N 2 0 315.461 3.984 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000557522730 1030172812 /nfs/dbraw/zinc/17/28/12/1030172812.db2.gz ZYLUTBXYHYMHHI-SFHVURJKSA-N 2 0 309.457 3.569 20 0 DHADRP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000866249745 1030179917 /nfs/dbraw/zinc/17/99/17/1030179917.db2.gz NCJJEQSAOSVLAV-IBGZPJMESA-N 2 0 302.437 3.810 20 0 DHADRP C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924760339 1030180416 /nfs/dbraw/zinc/18/04/16/1030180416.db2.gz BDELPKNMHFVQOD-JKSUJKDBSA-N 2 0 312.457 3.652 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1 ZINC000924828954 1030199418 /nfs/dbraw/zinc/19/94/18/1030199418.db2.gz MYKHULZGUHSBLP-DZIBYMRMSA-N 2 0 316.489 3.574 20 0 DHADRP C1CC([C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCCO2)C1 ZINC000866281422 1030200493 /nfs/dbraw/zinc/20/04/93/1030200493.db2.gz HUVNEELEROAACG-TUNPWDSISA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1(Cl)CC1 ZINC000924868626 1030214478 /nfs/dbraw/zinc/21/44/78/1030214478.db2.gz LCWWWKBKXHLZLJ-CYBMUJFWSA-N 2 0 312.910 3.710 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(C)C ZINC000357838184 1030216101 /nfs/dbraw/zinc/21/61/01/1030216101.db2.gz WBWFNLWBYZFMLB-HXUWFJFHSA-N 2 0 318.505 3.679 20 0 DHADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(OC)c1 ZINC000357867304 1030229055 /nfs/dbraw/zinc/22/90/55/1030229055.db2.gz DYWROPSUJMCLNG-SFHVURJKSA-N 2 0 304.478 3.858 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2CCCO)c1 ZINC000924959572 1030235300 /nfs/dbraw/zinc/23/53/00/1030235300.db2.gz POEWPQHMNZWCBF-UXHICEINSA-N 2 0 318.505 3.559 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000866338249 1030240441 /nfs/dbraw/zinc/24/04/41/1030240441.db2.gz YYRQUGNIYYXAJV-AOIWGVFYSA-N 2 0 315.505 3.645 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000925008059 1030248714 /nfs/dbraw/zinc/24/87/14/1030248714.db2.gz BCSHDWKTIGFADG-HZPDHXFCSA-N 2 0 312.457 3.841 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866353450 1030251506 /nfs/dbraw/zinc/25/15/06/1030251506.db2.gz YFRYVUAPNNPOPR-WIYYLYMNSA-N 2 0 323.484 3.514 20 0 DHADRP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866368313 1030258658 /nfs/dbraw/zinc/25/86/58/1030258658.db2.gz ZXQXOAMJNYDVDV-FJXGPPQBSA-N 2 0 302.437 3.664 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290959121 1030263790 /nfs/dbraw/zinc/26/37/90/1030263790.db2.gz WAIARKPHWSXJHL-LBPRGKRZSA-N 2 0 318.292 3.989 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290959112 1030264837 /nfs/dbraw/zinc/26/48/37/1030264837.db2.gz WAIARKPHWSXJHL-GFCCVEGCSA-N 2 0 318.292 3.989 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(O)cc(F)c1 ZINC000925075914 1030265474 /nfs/dbraw/zinc/26/54/74/1030265474.db2.gz UMPYJKWHFDORPB-LBPRGKRZSA-N 2 0 320.383 3.583 20 0 DHADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925082241 1030265602 /nfs/dbraw/zinc/26/56/02/1030265602.db2.gz IRSCRDMLXDMSTG-KUHUBIRLSA-N 2 0 324.472 3.575 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866403021 1030282523 /nfs/dbraw/zinc/28/25/23/1030282523.db2.gz PVKJRVZXCWDFFT-UHOSZYNNSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866403019 1030282615 /nfs/dbraw/zinc/28/26/15/1030282615.db2.gz PVKJRVZXCWDFFT-QXAKKESOSA-N 2 0 318.530 3.630 20 0 DHADRP Cc1ccccc1C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000925142578 1030282835 /nfs/dbraw/zinc/28/28/35/1030282835.db2.gz OULSYYGEWCSGHR-NEWSRXKRSA-N 2 0 312.457 3.944 20 0 DHADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144588 1030283703 /nfs/dbraw/zinc/28/37/03/1030283703.db2.gz VAQPZPUFMSXKBH-JBLDHEPKSA-N 2 0 306.397 3.900 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@H]3CCSC3)CC2)C1 ZINC000866404253 1030283863 /nfs/dbraw/zinc/28/38/63/1030283863.db2.gz ZDQIDYZNCWRFDF-SOLBZPMBSA-N 2 0 310.551 3.762 20 0 DHADRP CSc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000358037589 1030290979 /nfs/dbraw/zinc/29/09/79/1030290979.db2.gz RFZJKSCXQQDSCN-YJBOKZPZSA-N 2 0 316.514 3.857 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCc3sccc32)C[C@@H](C)O1 ZINC000358040695 1030293417 /nfs/dbraw/zinc/29/34/17/1030293417.db2.gz SKJWIKHCGAAUAW-INMHGKMJSA-N 2 0 322.518 3.605 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000358040699 1030294649 /nfs/dbraw/zinc/29/46/49/1030294649.db2.gz SKJWIKHCGAAUAW-UXLLHSPISA-N 2 0 322.518 3.605 20 0 DHADRP CC(C)[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)c1ccccn1 ZINC000866470302 1030310796 /nfs/dbraw/zinc/31/07/96/1030310796.db2.gz VCAZOVUJJKYLNE-IBGZPJMESA-N 2 0 303.494 3.879 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000925231004 1030314310 /nfs/dbraw/zinc/31/43/10/1030314310.db2.gz AKCMWILRMSWLDK-HXUWFJFHSA-N 2 0 322.537 3.539 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(Cl)cc2)[C@H](C)C1 ZINC000533393901 1030328101 /nfs/dbraw/zinc/32/81/01/1030328101.db2.gz YIGUOGCZSZWFGP-QAPCUYQASA-N 2 0 324.896 3.771 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000866506665 1030332709 /nfs/dbraw/zinc/33/27/09/1030332709.db2.gz OYUXSZOHVKDYOG-MCIONIFRSA-N 2 0 306.416 3.818 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000866517799 1030342500 /nfs/dbraw/zinc/34/25/00/1030342500.db2.gz MZCMZHRLKVLRDL-UHFFFAOYSA-N 2 0 304.453 3.924 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c(C)c1 ZINC000866517301 1030342839 /nfs/dbraw/zinc/34/28/39/1030342839.db2.gz GFMVXLSHJLSOCG-MDCZIUGASA-N 2 0 304.478 3.917 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc2c(c1)COC2 ZINC000866516212 1030342982 /nfs/dbraw/zinc/34/29/82/1030342982.db2.gz NOJDCSBGMXJDSE-YCMKEVRSSA-N 2 0 302.462 3.630 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171022584 1030346552 /nfs/dbraw/zinc/34/65/52/1030346552.db2.gz NSKPJDRIRDPZER-OWCLPIDISA-N 2 0 306.881 3.660 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000866536391 1030356654 /nfs/dbraw/zinc/35/66/54/1030356654.db2.gz OZFSZFKEQAWBMU-ARKGTOAJSA-N 2 0 316.411 3.594 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCSc1ccccc1)c1ccccc1 ZINC000925511505 1030381239 /nfs/dbraw/zinc/38/12/39/1030381239.db2.gz OAUKACGMIHJFET-SFHVURJKSA-N 2 0 300.471 3.849 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000823747631 1030384373 /nfs/dbraw/zinc/38/43/73/1030384373.db2.gz GXTONUDPZAKDOX-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000925528510 1030387465 /nfs/dbraw/zinc/38/74/65/1030387465.db2.gz VMXXWLOJCPFSOC-CLRIEMFWSA-N 2 0 306.416 3.851 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cs1 ZINC000925564369 1030404432 /nfs/dbraw/zinc/40/44/32/1030404432.db2.gz HXBFATOVGALVTA-IRXDYDNUSA-N 2 0 321.534 3.567 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000925561289 1030404792 /nfs/dbraw/zinc/40/47/92/1030404792.db2.gz JUNXLHKPPQFZCM-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000925624429 1030425151 /nfs/dbraw/zinc/42/51/51/1030425151.db2.gz XKKSTCHDLKTPRE-VQTJNVASSA-N 2 0 312.457 3.570 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCC2 ZINC000925631950 1030426943 /nfs/dbraw/zinc/42/69/43/1030426943.db2.gz LUPCSICFVHNQFJ-HLLBOEOZSA-N 2 0 319.518 3.587 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000866717930 1030431812 /nfs/dbraw/zinc/43/18/12/1030431812.db2.gz UJVYURSJGKEEKQ-ROUUACIJSA-N 2 0 316.489 3.654 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C12CCC2 ZINC000925645815 1030431810 /nfs/dbraw/zinc/43/18/10/1030431810.db2.gz TYVCUXLUHOMFPE-LSDHHAIUSA-N 2 0 324.390 3.597 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC(F)(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925652003 1030440512 /nfs/dbraw/zinc/44/05/12/1030440512.db2.gz ABRSWIYFHGHWPI-WGBTXMCUSA-N 2 0 322.855 3.786 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925656819 1030444427 /nfs/dbraw/zinc/44/44/27/1030444427.db2.gz PNPJUAFSDHADBF-QCEMKRCNSA-N 2 0 324.390 3.811 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925662546 1030446358 /nfs/dbraw/zinc/44/63/58/1030446358.db2.gz JDCBFIKLJNYHJU-XPMGTNJCSA-N 2 0 304.865 3.705 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccccc1 ZINC000925702472 1030457612 /nfs/dbraw/zinc/45/76/12/1030457612.db2.gz ACLITFDRINOMHA-LJQANCHMSA-N 2 0 309.457 3.615 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccccc1 ZINC000925726354 1030465466 /nfs/dbraw/zinc/46/54/66/1030465466.db2.gz RPOGEYWMZOBBLU-MJGOQNOKSA-N 2 0 309.457 3.656 20 0 DHADRP COc1ccc(C2CC2)cc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925738154 1030471529 /nfs/dbraw/zinc/47/15/29/1030471529.db2.gz WAXTZPNNWYZJCY-MOPGFXCFSA-N 2 0 308.425 3.807 20 0 DHADRP CC(C)C[C@@H]1CCC[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000925750484 1030478855 /nfs/dbraw/zinc/47/88/55/1030478855.db2.gz GKPFPGFUDCEVLT-KBPBESRZSA-N 2 0 307.507 3.565 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCCSC3)CC2)C1 ZINC000558238216 1030486390 /nfs/dbraw/zinc/48/63/90/1030486390.db2.gz PHBDMCGNIVRSEI-NUJGCVRESA-N 2 0 310.551 3.762 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(SC(F)(F)F)c1)C1C[NH2+]C1 ZINC000925776926 1030491282 /nfs/dbraw/zinc/49/12/82/1030491282.db2.gz AZOIKOYISOSCET-VHSXEESVSA-N 2 0 304.381 3.557 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2ccccc2)cc1 ZINC000925796819 1030500304 /nfs/dbraw/zinc/50/03/04/1030500304.db2.gz LOTMTUTUSCDMDQ-BSIFCXSSSA-N 2 0 324.468 3.620 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC1(c2ccccc2)CC1 ZINC000925804625 1030502843 /nfs/dbraw/zinc/50/28/43/1030502843.db2.gz KZQCHIOQWHGIFJ-OAHLLOKOSA-N 2 0 309.457 3.621 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000925829621 1030512170 /nfs/dbraw/zinc/51/21/70/1030512170.db2.gz PKPYMSUHIXRPNN-ONGXEEELSA-N 2 0 323.239 3.537 20 0 DHADRP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000925840239 1030517427 /nfs/dbraw/zinc/51/74/27/1030517427.db2.gz UTNWAPMCJZBKGQ-TXTZMMAHSA-N 2 0 320.427 3.546 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)c1nc2ccccc2s1 ZINC000925875521 1030529509 /nfs/dbraw/zinc/52/95/09/1030529509.db2.gz JTOIGFBPWACQMO-SYQHCUMBSA-N 2 0 303.475 3.505 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000925874962 1030529660 /nfs/dbraw/zinc/52/96/60/1030529660.db2.gz AIAIVYBHGATDJP-FOGDFJRCSA-N 2 0 318.795 3.719 20 0 DHADRP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888962 1030536303 /nfs/dbraw/zinc/53/63/03/1030536303.db2.gz XGQRBKZYRGMVDR-QILLFSRXSA-N 2 0 300.471 3.766 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000925887928 1030536786 /nfs/dbraw/zinc/53/67/86/1030536786.db2.gz OZLSGPNTRGDBGR-OVQGTLEDSA-N 2 0 308.469 3.827 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000925888987 1030537332 /nfs/dbraw/zinc/53/73/32/1030537332.db2.gz YGEGUWCPIHPJJX-NRXGSXMXSA-N 2 0 316.395 3.675 20 0 DHADRP CC[N@H+](C)C1CCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055584 1030552773 /nfs/dbraw/zinc/55/27/73/1030552773.db2.gz IDZWGNGILZEWLU-INIZCTEOSA-N 2 0 306.881 3.613 20 0 DHADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000925973978 1030562091 /nfs/dbraw/zinc/56/20/91/1030562091.db2.gz WFCYNHVQTXWWLH-PWIZWCRZSA-N 2 0 318.505 3.993 20 0 DHADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000925973977 1030563333 /nfs/dbraw/zinc/56/33/33/1030563333.db2.gz WFCYNHVQTXWWLH-NSISKUIASA-N 2 0 318.505 3.993 20 0 DHADRP C[NH+]1CCC(C[N@H+](Cc2ccco2)Cc2cccs2)CC1 ZINC000788468543 1030569764 /nfs/dbraw/zinc/56/97/64/1030569764.db2.gz AAWVEYUSUUWMJB-UHFFFAOYSA-N 2 0 304.459 3.685 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423777 1030571638 /nfs/dbraw/zinc/57/16/38/1030571638.db2.gz RPGKNOGCJDHYEF-FPOVZHCZSA-N 2 0 321.468 3.665 20 0 DHADRP C[Si](C)(C)C([NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)[Si](C)(C)C ZINC001246336075 1030594530 /nfs/dbraw/zinc/59/45/30/1030594530.db2.gz FSRBZNGFLYNHMU-AWEZNQCLSA-N 2 0 312.650 3.622 20 0 DHADRP COCC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000926116969 1030623732 /nfs/dbraw/zinc/62/37/32/1030623732.db2.gz UAGRKEFLLCQWNA-CRAIPNDOSA-N 2 0 316.445 3.770 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000246887174 1030657804 /nfs/dbraw/zinc/65/78/04/1030657804.db2.gz FGKHBNXFKHASTA-IAGOWNOFSA-N 2 0 306.498 3.627 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cnccn1 ZINC000246851637 1030659265 /nfs/dbraw/zinc/65/92/65/1030659265.db2.gz CORINETYSJFIAF-DLBZAZTESA-N 2 0 324.472 3.559 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000824913821 1030665089 /nfs/dbraw/zinc/66/50/89/1030665089.db2.gz GLVBRFYIHMXJOU-UHFFFAOYSA-N 2 0 320.477 3.542 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)CCC2 ZINC000247201738 1030679909 /nfs/dbraw/zinc/67/99/09/1030679909.db2.gz WHYDMYOCBLMRMK-GDBMZVCRSA-N 2 0 321.534 3.931 20 0 DHADRP CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000247228507 1030684361 /nfs/dbraw/zinc/68/43/61/1030684361.db2.gz YDCSODKDJZQDQU-YOEHRIQHSA-N 2 0 322.880 3.875 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824971700 1030688954 /nfs/dbraw/zinc/68/89/54/1030688954.db2.gz XCEZEIRTDCJUJN-AWEZNQCLSA-N 2 0 307.309 3.813 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000926292350 1030689736 /nfs/dbraw/zinc/68/97/36/1030689736.db2.gz IZQAQEGHXXCCLN-MRXNPFEDSA-N 2 0 323.484 3.873 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000926333122 1030701595 /nfs/dbraw/zinc/70/15/95/1030701595.db2.gz NRWSAXHFVWESCM-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926353612 1030707257 /nfs/dbraw/zinc/70/72/57/1030707257.db2.gz KHMIXCJNINQGGJ-BZUAXINKSA-N 2 0 304.478 3.602 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013500 1030728416 /nfs/dbraw/zinc/72/84/16/1030728416.db2.gz IQHHIDVERBFUGZ-TZIWHRDSSA-N 2 0 323.484 3.890 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926438326 1030740074 /nfs/dbraw/zinc/74/00/74/1030740074.db2.gz ARXAVFCWBQHFEE-QAPCUYQASA-N 2 0 310.441 3.575 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccnn1C1CCC1 ZINC000926488063 1030761020 /nfs/dbraw/zinc/76/10/20/1030761020.db2.gz SXNAXVLDKBSVMH-INIZCTEOSA-N 2 0 304.482 3.525 20 0 DHADRP CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000926523708 1030783349 /nfs/dbraw/zinc/78/33/49/1030783349.db2.gz HGDKCJHLVFSRGD-SQGPQFPESA-N 2 0 318.505 3.850 20 0 DHADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000237419664 1030900265 /nfs/dbraw/zinc/90/02/65/1030900265.db2.gz TZXLDDJZMPDBRY-IRXDYDNUSA-N 2 0 300.490 3.817 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171096301 1030905510 /nfs/dbraw/zinc/90/55/10/1030905510.db2.gz UHOYIWWATHPJTN-LJQANCHMSA-N 2 0 320.908 3.909 20 0 DHADRP CC(C)(F)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926781005 1030922100 /nfs/dbraw/zinc/92/21/00/1030922100.db2.gz SSJPORBWLMZXFF-AYHJJNSGSA-N 2 0 304.453 3.910 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000926797724 1030933321 /nfs/dbraw/zinc/93/33/21/1030933321.db2.gz PWMDHEKCNYRCOM-YMPIPDKKSA-N 2 0 315.505 3.645 20 0 DHADRP CCOc1c(F)cc(CN(CC)CCC[NH+](C)C)cc1Cl ZINC001143745951 1030943244 /nfs/dbraw/zinc/94/32/44/1030943244.db2.gz IITQLRYPFWEXFV-UHFFFAOYSA-N 2 0 316.848 3.651 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)c[nH]c21 ZINC000161803772 1030949299 /nfs/dbraw/zinc/94/92/99/1030949299.db2.gz QKATVVHSSQTQQE-KXBFYZLASA-N 2 0 313.489 3.593 20 0 DHADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926891016 1030969985 /nfs/dbraw/zinc/96/99/85/1030969985.db2.gz XOFRBHBIUSGRHB-RGVPCPSESA-N 2 0 310.526 3.703 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cccc(C[NH+](C)C)c1 ZINC000926920211 1030994601 /nfs/dbraw/zinc/99/46/01/1030994601.db2.gz PPUQUXZXZFFGIS-CVEARBPZSA-N 2 0 324.468 3.922 20 0 DHADRP C[N@H+](Cc1csc(-c2ccccc2F)n1)C1CCC([NH3+])CC1 ZINC000844220872 1030997577 /nfs/dbraw/zinc/99/75/77/1030997577.db2.gz NKPCZYUCZRSFND-UHFFFAOYSA-N 2 0 319.449 3.651 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926949279 1031012956 /nfs/dbraw/zinc/01/29/56/1031012956.db2.gz MKQDPMCYPAASAG-OCVGTWLNSA-N 2 0 318.427 3.818 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000261538141 1031030906 /nfs/dbraw/zinc/03/09/06/1031030906.db2.gz IQCYSMOEFKPERG-KRWDZBQOSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccnn1C1CCC1 ZINC000927035990 1031043840 /nfs/dbraw/zinc/04/38/40/1031043840.db2.gz DYWLMEQGAQGSCK-LYGPFTKASA-N 2 0 316.493 3.666 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000927035856 1031044694 /nfs/dbraw/zinc/04/46/94/1031044694.db2.gz CKNFHLVEQIZBKM-NQKNOSNGSA-N 2 0 314.473 3.766 20 0 DHADRP CCC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccn1 ZINC000927038476 1031046326 /nfs/dbraw/zinc/04/63/26/1031046326.db2.gz OENKACFSJGVPBE-AVAKVYKDSA-N 2 0 301.478 3.919 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000261935846 1031078759 /nfs/dbraw/zinc/07/87/59/1031078759.db2.gz MAQGZKYIMMCVIP-LLVKDONJSA-N 2 0 320.786 3.920 20 0 DHADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162555710 1031235195 /nfs/dbraw/zinc/23/51/95/1031235195.db2.gz WRMMEKXUYVRPRD-KKSFZXQISA-N 2 0 324.468 3.650 20 0 DHADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139242 1031240640 /nfs/dbraw/zinc/24/06/40/1031240640.db2.gz KCONQPOVLIUVKE-ZIAGYGMSSA-N 2 0 313.272 3.535 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000360030296 1031247466 /nfs/dbraw/zinc/24/74/66/1031247466.db2.gz VOQMOXFZRJVKTM-ZHALLVOQSA-N 2 0 314.473 3.734 20 0 DHADRP Cc1c(O)cccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001144116892 1031254593 /nfs/dbraw/zinc/25/45/93/1031254593.db2.gz DHVXGKXPASXOJM-ZWKOTPCHSA-N 2 0 302.462 3.539 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000844902614 1031390156 /nfs/dbraw/zinc/39/01/56/1031390156.db2.gz SZCAUAPEBWSABB-UHFFFAOYSA-N 2 0 304.381 3.517 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc2c(c1)CCO2 ZINC000844927355 1031404908 /nfs/dbraw/zinc/40/49/08/1031404908.db2.gz ZEURSYOJZQHDEJ-IBGZPJMESA-N 2 0 310.441 3.582 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872023129 1031405093 /nfs/dbraw/zinc/40/50/93/1031405093.db2.gz PBXVDFLWGVXUAR-ROUUACIJSA-N 2 0 308.510 3.722 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872023127 1031405592 /nfs/dbraw/zinc/40/55/92/1031405592.db2.gz PBXVDFLWGVXUAR-QZTJIDSGSA-N 2 0 308.510 3.722 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872021592 1031405755 /nfs/dbraw/zinc/40/57/55/1031405755.db2.gz CQYDQNVZHMFFSZ-KZNAEPCWSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(O)c1F ZINC000872023834 1031408360 /nfs/dbraw/zinc/40/83/60/1031408360.db2.gz VYZUFVUFLOWAPZ-HUUCEWRRSA-N 2 0 308.441 3.837 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872023843 1031408370 /nfs/dbraw/zinc/40/83/70/1031408370.db2.gz WDSXAKFVESBHRW-GUDVDZBRSA-N 2 0 322.537 3.826 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000844910405 1031412284 /nfs/dbraw/zinc/41/22/84/1031412284.db2.gz HMEKPJMFNJPERM-UHFFFAOYSA-N 2 0 300.418 3.562 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC000872027641 1031413073 /nfs/dbraw/zinc/41/30/73/1031413073.db2.gz FRWBHFAWFJPDES-MOPGFXCFSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000379635974 1031417456 /nfs/dbraw/zinc/41/74/56/1031417456.db2.gz WOVMNMDDMTXCGG-VBSBHUPXSA-N 2 0 316.489 3.587 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000872035907 1031419925 /nfs/dbraw/zinc/41/99/25/1031419925.db2.gz ZHRVTYWWNYJKRZ-LJQANCHMSA-N 2 0 316.489 3.720 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CCCO2 ZINC000360433890 1031424529 /nfs/dbraw/zinc/42/45/29/1031424529.db2.gz PKYHTUTTYGRPFQ-AEFFLSMTSA-N 2 0 302.462 3.530 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CS1 ZINC000379650542 1031426435 /nfs/dbraw/zinc/42/64/35/1031426435.db2.gz RXRFEGPHFWSNQG-IDCNUPLLSA-N 2 0 304.503 3.523 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872051813 1031440707 /nfs/dbraw/zinc/44/07/07/1031440707.db2.gz KPWGXBFJJULEML-FGTMMUONSA-N 2 0 310.526 3.538 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCOC1 ZINC000872053184 1031440751 /nfs/dbraw/zinc/44/07/51/1031440751.db2.gz TWCCZAGZUGYLKD-OAHAVBBTSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000536848030 1031454840 /nfs/dbraw/zinc/45/48/40/1031454840.db2.gz WTSMNXBHUYFXQS-GZOSKZMVSA-N 2 0 324.896 3.816 20 0 DHADRP C[NH+](C)CCC[N@H+](C)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171159234 1031455986 /nfs/dbraw/zinc/45/59/86/1031455986.db2.gz WQGCNRGYGDTMQV-AWEZNQCLSA-N 2 0 315.288 3.734 20 0 DHADRP CC[C@H](CCC(F)(F)F)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000872089485 1031485908 /nfs/dbraw/zinc/48/59/08/1031485908.db2.gz YNHOJRPATLYRLY-OAHLLOKOSA-N 2 0 306.416 3.819 20 0 DHADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cn4cc[nH+]c4cc3C)c2c1 ZINC001171166970 1031493842 /nfs/dbraw/zinc/49/38/42/1031493842.db2.gz FWRMTOMVRNLEEL-HNNXBMFYSA-N 2 0 318.424 3.785 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCC(C)(F)F)C2)CC1 ZINC000929422091 1031517033 /nfs/dbraw/zinc/51/70/33/1031517033.db2.gz OUTKFTCQKOTNFE-MRXNPFEDSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(F)c(F)c(F)c1 ZINC000423366853 1031521068 /nfs/dbraw/zinc/52/10/68/1031521068.db2.gz CIUQAKPRPWOLAW-JTQLQIEISA-N 2 0 306.331 3.558 20 0 DHADRP CC(C)c1cc([C@H]2CCC[N@H+](CCCCCCC[NH3+])C2)[nH]n1 ZINC000872146559 1031536095 /nfs/dbraw/zinc/53/60/95/1031536095.db2.gz QZEYTGPKINHPAP-INIZCTEOSA-N 2 0 306.498 3.622 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000872155266 1031537467 /nfs/dbraw/zinc/53/74/67/1031537467.db2.gz PRLZANMFTCOBOC-UHFFFAOYSA-N 2 0 321.852 3.946 20 0 DHADRP Cc1oc(-c2cccs2)nc1C[N@H+](C)CCCCCC[NH3+] ZINC000872154916 1031537610 /nfs/dbraw/zinc/53/76/10/1031537610.db2.gz FFRAQBRYKNGOIM-UHFFFAOYSA-N 2 0 307.463 3.662 20 0 DHADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156076 1031537648 /nfs/dbraw/zinc/53/76/48/1031537648.db2.gz DKAABZHRPVNJCH-YQQAZPJKSA-N 2 0 305.466 3.664 20 0 DHADRP CCC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000537203207 1031538450 /nfs/dbraw/zinc/53/84/50/1031538450.db2.gz QXYHZVGJQHVYLH-AABGKKOBSA-N 2 0 300.490 3.986 20 0 DHADRP Cc1cncc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872158052 1031541970 /nfs/dbraw/zinc/54/19/70/1031541970.db2.gz SGPUYHCYBMTGJF-VQIMIIECSA-N 2 0 301.478 3.510 20 0 DHADRP C[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C[NH+]1CCCCC1 ZINC000360837781 1031581799 /nfs/dbraw/zinc/58/17/99/1031581799.db2.gz RITFCNRBCDLMSR-APWZRJJASA-N 2 0 301.478 3.634 20 0 DHADRP Cc1cccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000537457517 1031623060 /nfs/dbraw/zinc/62/30/60/1031623060.db2.gz HDVDHBZWFDWFIK-LPHOPBHVSA-N 2 0 324.472 3.703 20 0 DHADRP COCC[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000361112169 1031733434 /nfs/dbraw/zinc/73/34/34/1031733434.db2.gz TWVCNDXHKXIQON-LJQANCHMSA-N 2 0 322.468 3.615 20 0 DHADRP Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213071 1031759324 /nfs/dbraw/zinc/75/93/24/1031759324.db2.gz WIBPDJQOXOJFBJ-SFHVURJKSA-N 2 0 312.482 3.869 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+][C@@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873222276 1031764247 /nfs/dbraw/zinc/76/42/47/1031764247.db2.gz KBQKAFWIEFNANJ-AWEZNQCLSA-N 2 0 315.486 3.596 20 0 DHADRP CC(C)n1cc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232261 1031766445 /nfs/dbraw/zinc/76/64/45/1031766445.db2.gz NVRJJIZYHOWWNE-QFBILLFUSA-N 2 0 318.509 3.584 20 0 DHADRP c1nc(C2CCC2)sc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232551 1031766982 /nfs/dbraw/zinc/76/69/82/1031766982.db2.gz GQBOFPALHBCYCZ-MRXNPFEDSA-N 2 0 319.518 3.813 20 0 DHADRP Clc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000873250321 1031772966 /nfs/dbraw/zinc/77/29/66/1031772966.db2.gz QVMZNZLUCLTLEA-SJPCQFCGSA-N 2 0 304.865 3.634 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254379 1031773750 /nfs/dbraw/zinc/77/37/50/1031773750.db2.gz SAMBDRAACXHFPS-CORIIIEPSA-N 2 0 301.459 3.506 20 0 DHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254226 1031774877 /nfs/dbraw/zinc/77/48/77/1031774877.db2.gz NXKCGZWSWJYAFA-RLFYNMQTSA-N 2 0 310.441 3.750 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259595 1031777725 /nfs/dbraw/zinc/77/77/25/1031777725.db2.gz HSYIJYUGHKNLGR-ONIAQPFYSA-N 2 0 302.462 3.657 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259801 1031778648 /nfs/dbraw/zinc/77/86/48/1031778648.db2.gz LONYTNZQLADAHJ-MHEUCROKSA-N 2 0 321.534 3.930 20 0 DHADRP Fc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873264026 1031779644 /nfs/dbraw/zinc/77/96/44/1031779644.db2.gz MSGADFKLVRLGEB-WHJMJZORSA-N 2 0 302.437 3.582 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCO2 ZINC000873264402 1031779943 /nfs/dbraw/zinc/77/99/43/1031779943.db2.gz OVXQZWPYIXRTLX-ZMMAXQRCSA-N 2 0 314.473 3.637 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)C1CC[NH2+]CC1 ZINC000873272168 1031785120 /nfs/dbraw/zinc/78/51/20/1031785120.db2.gz PYFYCNXAANQUBR-BLLLJJGKSA-N 2 0 308.853 3.531 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000873289944 1031790524 /nfs/dbraw/zinc/79/05/24/1031790524.db2.gz MMYJFSHYJRNFLH-SJORKVTESA-N 2 0 322.880 3.539 20 0 DHADRP Cc1sccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000294194079 1031865022 /nfs/dbraw/zinc/86/50/22/1031865022.db2.gz RDMNXCVWASPYLN-UHFFFAOYSA-N 2 0 300.471 3.942 20 0 DHADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC23CC3)cc1 ZINC000897959091 1031897495 /nfs/dbraw/zinc/89/74/95/1031897495.db2.gz QCWXCPSROWDLEU-IYWMVGAKSA-N 2 0 310.485 3.962 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000361387077 1031902316 /nfs/dbraw/zinc/90/23/16/1031902316.db2.gz SKIDPKKEAISUNY-DLBZAZTESA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1 ZINC000561476211 1031924133 /nfs/dbraw/zinc/92/41/33/1031924133.db2.gz QMBSUKRYTGQPRC-UHFFFAOYSA-N 2 0 308.469 3.958 20 0 DHADRP [NH3+]CCCCCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000846218127 1031929627 /nfs/dbraw/zinc/92/96/27/1031929627.db2.gz LTRIZIIHPXZYMD-SFHVURJKSA-N 2 0 324.896 3.605 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000846219896 1031932551 /nfs/dbraw/zinc/93/25/51/1031932551.db2.gz BKPSHBHBYPMNRG-HNNXBMFYSA-N 2 0 317.502 3.995 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000846219856 1031934671 /nfs/dbraw/zinc/93/46/71/1031934671.db2.gz ZTCSDUXUQLUMEX-UXHICEINSA-N 2 0 318.505 3.874 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534159 1032054647 /nfs/dbraw/zinc/05/46/47/1032054647.db2.gz WZYACFWESYKGQN-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200467 1033296151 /nfs/dbraw/zinc/29/61/51/1033296151.db2.gz LJTHLOUDBDQLAI-HNAYVOBHSA-N 2 0 304.453 3.988 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172644694 1033301781 /nfs/dbraw/zinc/30/17/81/1033301781.db2.gz XWNFTKOXDCTNKL-HOTGVXAUSA-N 2 0 310.526 3.680 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172711904 1033348075 /nfs/dbraw/zinc/34/80/75/1033348075.db2.gz JKMPKPNAPMLDGI-BHIYHBOVSA-N 2 0 318.892 3.932 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1sccc1Br ZINC000873271653 1033348374 /nfs/dbraw/zinc/34/83/74/1033348374.db2.gz JBJCRBCFOGCGED-UWVGGRQHSA-N 2 0 317.296 3.549 20 0 DHADRP COc1ccccc1[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523207 1033350021 /nfs/dbraw/zinc/35/00/21/1033350021.db2.gz XRIIKGXRAARRPI-APWZRJJASA-N 2 0 302.462 3.658 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000477857089 1033355692 /nfs/dbraw/zinc/35/56/92/1033355692.db2.gz JJDRHNUOVYSBJZ-KRWDZBQOSA-N 2 0 308.510 3.721 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000477857093 1033356577 /nfs/dbraw/zinc/35/65/77/1033356577.db2.gz JJDRHNUOVYSBJZ-QGZVFWFLSA-N 2 0 308.510 3.721 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477907393 1033364178 /nfs/dbraw/zinc/36/41/78/1033364178.db2.gz ALIGOWXTPWLJOF-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP C[NH+]1CCC(C[NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172816855 1033380143 /nfs/dbraw/zinc/38/01/43/1033380143.db2.gz NNVNKJHIOMNCKH-UHFFFAOYSA-N 2 0 300.490 3.719 20 0 DHADRP C[NH+]1CC2(C1)CC[NH+](C1CCC(Cc3ccccc3)CC1)CC2 ZINC001172824704 1033385398 /nfs/dbraw/zinc/38/53/98/1033385398.db2.gz HIJAZFHTTZACAT-UHFFFAOYSA-N 2 0 312.501 3.816 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172837011 1033399693 /nfs/dbraw/zinc/39/96/93/1033399693.db2.gz YDWSIMTYDJWFRL-FXAWDEMLSA-N 2 0 302.506 3.952 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3ccncc3s1)CC2 ZINC000877683490 1033409241 /nfs/dbraw/zinc/40/92/41/1033409241.db2.gz CRYOFDFRTRTFHK-UHFFFAOYSA-N 2 0 315.486 3.604 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000877684405 1033410710 /nfs/dbraw/zinc/41/07/10/1033410710.db2.gz SXLYYPQHJUNNTF-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000151127833 1033419568 /nfs/dbraw/zinc/41/95/68/1033419568.db2.gz YGLCEASINYUILE-LSDHHAIUSA-N 2 0 322.518 3.800 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000151132945 1033422124 /nfs/dbraw/zinc/42/21/24/1033422124.db2.gz ZYOCIYFBPMVVLD-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001172881665 1033456308 /nfs/dbraw/zinc/45/63/08/1033456308.db2.gz KDPKIFYUKNTTOI-CQSZACIVSA-N 2 0 324.921 3.848 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc2cc(Cl)ccc2o1 ZINC000643537077 1033475695 /nfs/dbraw/zinc/47/56/95/1033475695.db2.gz YUPKIFVGKDLMGJ-MEDUHNTESA-N 2 0 304.821 3.879 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(C)CC(F)(F)C3)CC2)C1 ZINC000877833553 1033478980 /nfs/dbraw/zinc/47/89/80/1033478980.db2.gz IHALABJGPVTYGA-UKRRQHHQSA-N 2 0 300.437 3.807 20 0 DHADRP C[C@H]([NH2+]C1(C)CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877834015 1033479518 /nfs/dbraw/zinc/47/95/18/1033479518.db2.gz NVHOCMDICMYYBD-GOEBONIOSA-N 2 0 308.416 3.674 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C(C)C)c1 ZINC000924707598 1033501062 /nfs/dbraw/zinc/50/10/62/1033501062.db2.gz NAVJYCGVGLZBRI-VQTJNVASSA-N 2 0 318.505 3.679 20 0 DHADRP CCCOC1CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173094380 1033524342 /nfs/dbraw/zinc/52/43/42/1033524342.db2.gz WTFITOHVBLXXKZ-POSCCBCBSA-N 2 0 308.510 3.706 20 0 DHADRP C([C@@H]1CCC2(CCC2)O1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877959502 1033531186 /nfs/dbraw/zinc/53/11/86/1033531186.db2.gz NFLMBTFSINBDKK-IBGZPJMESA-N 2 0 320.521 3.676 20 0 DHADRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001173076104 1033532763 /nfs/dbraw/zinc/53/27/63/1033532763.db2.gz PFXDTTCYVXFHFJ-NSHDSACASA-N 2 0 318.383 3.622 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC001173103016 1033539370 /nfs/dbraw/zinc/53/93/70/1033539370.db2.gz FYVRWVLAQNDNPA-UHFFFAOYSA-N 2 0 304.478 3.698 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCSCc2ccco2)CC1 ZINC001173102168 1033539763 /nfs/dbraw/zinc/53/97/63/1033539763.db2.gz TYHMMORKBMWNEF-UHFFFAOYSA-N 2 0 310.507 3.755 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C(C)=O)c2ccccc2)CC1 ZINC001173102455 1033539798 /nfs/dbraw/zinc/53/97/98/1033539798.db2.gz YFFCNZIFFGSFBW-CTWPCTMYSA-N 2 0 302.462 3.559 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC001173103202 1033539947 /nfs/dbraw/zinc/53/99/47/1033539947.db2.gz IGAFFWISTGJAGF-DAWZGUTISA-N 2 0 301.478 3.702 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)c2ncccc2F)CC1 ZINC001173106070 1033542479 /nfs/dbraw/zinc/54/24/79/1033542479.db2.gz GNVFMMGYEIKZQZ-UHFFFAOYSA-N 2 0 321.484 3.741 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(Cc3ccccn3)CCC2)CC1 ZINC001173106238 1033542882 /nfs/dbraw/zinc/54/28/82/1033542882.db2.gz KHJYOAQDHUKMAH-UHFFFAOYSA-N 2 0 315.505 3.789 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2(Cc3cccnc3)CC2)CC1 ZINC001173105656 1033543263 /nfs/dbraw/zinc/54/32/63/1033543263.db2.gz AKYFFUFYMODUTB-UHFFFAOYSA-N 2 0 315.505 3.647 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccc(N(C)C)cc2)CC1 ZINC001173105446 1033543443 /nfs/dbraw/zinc/54/34/43/1033543443.db2.gz UDAWYWWQFJMRLY-UHFFFAOYSA-N 2 0 317.521 3.538 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccc(OC)cc2F)CC1 ZINC001173107434 1033544955 /nfs/dbraw/zinc/54/49/55/1033544955.db2.gz RDFINHPCDZZBNA-UHFFFAOYSA-N 2 0 322.468 3.619 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(c3ccc(OC)cc3)CC2)CC1 ZINC001173107268 1033545667 /nfs/dbraw/zinc/54/56/67/1033545667.db2.gz MKTYNDBVQQVGLP-UHFFFAOYSA-N 2 0 316.489 3.927 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173107286 1033545677 /nfs/dbraw/zinc/54/56/77/1033545677.db2.gz NHUZVLIYFZHCMW-UHFFFAOYSA-N 3 0 323.569 3.882 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3onc(C)c3c2)CC1 ZINC001173107442 1033545879 /nfs/dbraw/zinc/54/58/79/1033545879.db2.gz RLXJIKJLLSIAMO-UHFFFAOYSA-N 2 0 315.461 3.879 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC001173108151 1033546101 /nfs/dbraw/zinc/54/61/01/1033546101.db2.gz YWRNRRFYJAMRTD-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(OC)cc2F)CC1 ZINC001173107579 1033546217 /nfs/dbraw/zinc/54/62/17/1033546217.db2.gz XJVZQLMYLUXEIB-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001173111463 1033549147 /nfs/dbraw/zinc/54/91/47/1033549147.db2.gz FUPZJGZDBNRLPC-SOAGJPPSSA-N 2 0 316.489 3.713 20 0 DHADRP CC(C)(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2ncsc2C1 ZINC001173127132 1033558556 /nfs/dbraw/zinc/55/85/56/1033558556.db2.gz WFIVDRNFVYXETJ-RBSFLKMASA-N 2 0 321.534 3.618 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878033889 1033562745 /nfs/dbraw/zinc/56/27/45/1033562745.db2.gz BEQFPDSXMGNBHE-PMACEKPBSA-N 2 0 316.489 3.711 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878047444 1033564460 /nfs/dbraw/zinc/56/44/60/1033564460.db2.gz HCKIUPTXSJPEDM-KRWDZBQOSA-N 2 0 310.526 3.632 20 0 DHADRP C[NH+]1CCN(c2cccc(Nc3cc[nH+]c(C4CCC4)c3)c2)CC1 ZINC001212712767 1033581874 /nfs/dbraw/zinc/58/18/74/1033581874.db2.gz BRGFATQIBQWASW-UHFFFAOYSA-N 2 0 322.456 3.845 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878108224 1033583619 /nfs/dbraw/zinc/58/36/19/1033583619.db2.gz SPDAQJPCGBFXLT-SWBPCFCJSA-N 2 0 320.521 3.530 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198970 1033589538 /nfs/dbraw/zinc/58/95/38/1033589538.db2.gz NFFWYLAJNXKXKG-SFANZJOMSA-N 2 0 316.489 3.839 20 0 DHADRP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001173257208 1033628603 /nfs/dbraw/zinc/62/86/03/1033628603.db2.gz RLEZBUNZEQMSMQ-FHWLQOOXSA-N 2 0 310.526 3.824 20 0 DHADRP CC[C@H]1CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269743 1033640477 /nfs/dbraw/zinc/64/04/77/1033640477.db2.gz KWOSZKCTXHDMLJ-DSLXNQLJSA-N 2 0 301.478 3.732 20 0 DHADRP CCSC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001173295217 1033653596 /nfs/dbraw/zinc/65/35/96/1033653596.db2.gz JXXPNZSNKQXPOP-CYBMUJFWSA-N 2 0 312.910 3.731 20 0 DHADRP c1csc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001204015537 1033653742 /nfs/dbraw/zinc/65/37/42/1033653742.db2.gz GBVFUMBTTVZOBQ-UHFFFAOYSA-N 2 0 312.482 3.846 20 0 DHADRP CC[N@@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cc(C)ccc32)C1 ZINC001173367365 1033719394 /nfs/dbraw/zinc/71/93/94/1033719394.db2.gz GTCGPGILOHBTGI-QGZVFWFLSA-N 2 0 311.473 3.683 20 0 DHADRP COC(=O)CCCC[C@H](C)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173442747 1033733085 /nfs/dbraw/zinc/73/30/85/1033733085.db2.gz HZLVNJANIAPGHC-BQFCYCMXSA-N 2 0 324.509 3.623 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C[C@H](C)O1 ZINC000245620720 1033740423 /nfs/dbraw/zinc/74/04/23/1033740423.db2.gz AXCUSPCKZFTGJZ-BCDXTJNWSA-N 2 0 308.510 3.721 20 0 DHADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000479460063 1033766678 /nfs/dbraw/zinc/76/66/78/1033766678.db2.gz XYAVXFYENVDNML-FXAWDEMLSA-N 2 0 313.489 3.880 20 0 DHADRP Cc1cccc2[nH]c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc21 ZINC000667501820 1033783392 /nfs/dbraw/zinc/78/33/92/1033783392.db2.gz MHPWRRIFEDVBDJ-UHFFFAOYSA-N 2 0 311.473 3.784 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667501985 1033784151 /nfs/dbraw/zinc/78/41/51/1033784151.db2.gz QFXWDVUXNBCMMF-UHFFFAOYSA-N 2 0 317.502 3.850 20 0 DHADRP COc1ccc(C[N@H+](CCC2CC[NH2+]CC2)[C@H](C)C2CC2)cc1 ZINC000479687962 1033857157 /nfs/dbraw/zinc/85/71/57/1033857157.db2.gz NTNNAFOXIRLSMZ-MRXNPFEDSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554046625 1033933595 /nfs/dbraw/zinc/93/35/95/1033933595.db2.gz CPXNFLWLBWBJCH-FVESOWDASA-N 2 0 312.501 3.921 20 0 DHADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250233 1033965691 /nfs/dbraw/zinc/96/56/91/1033965691.db2.gz QBWWZGZOSPKTIF-OAHLLOKOSA-N 2 0 313.445 3.697 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000629515011 1033971997 /nfs/dbraw/zinc/97/19/97/1033971997.db2.gz OUAXRGUQVSZKKW-ZTGIWPAFSA-N 2 0 311.267 3.568 20 0 DHADRP COc1cc2c(N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc[nH+]c2cc1F ZINC000480063372 1034033782 /nfs/dbraw/zinc/03/37/82/1034033782.db2.gz SMFVWKJQRJWWCZ-OLZOCXBDSA-N 2 0 317.408 3.667 20 0 DHADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000554347053 1034106576 /nfs/dbraw/zinc/10/65/76/1034106576.db2.gz GCFCJDDIHHAXTK-MSOLQXFVSA-N 2 0 301.478 3.712 20 0 DHADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000863542349 1034123996 /nfs/dbraw/zinc/12/39/96/1034123996.db2.gz QBHZXICSVFMXMT-ZANVPECISA-N 2 0 314.260 3.511 20 0 DHADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CCCC3)CC2)cc1 ZINC000176984448 1034124988 /nfs/dbraw/zinc/12/49/88/1034124988.db2.gz BYVUZLAMDROVAM-UHFFFAOYSA-N 2 0 316.489 3.590 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000554406130 1034130954 /nfs/dbraw/zinc/13/09/54/1034130954.db2.gz NDLDPFNBNWGPFI-QTISTPMNSA-N 2 0 318.427 3.960 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178032103 1034202434 /nfs/dbraw/zinc/20/24/34/1034202434.db2.gz ZNDKBUNXDMLCCY-WCJKSRRJSA-N 2 0 324.534 3.585 20 0 DHADRP CCOc1ccc(CN2CC[C@@H](C[NH+](CC)CC)C2)c(C)c1 ZINC000667673114 1034242360 /nfs/dbraw/zinc/24/23/60/1034242360.db2.gz RDQCPOFIAPVPOF-KRWDZBQOSA-N 2 0 304.478 3.557 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000249596652 1034252042 /nfs/dbraw/zinc/25/20/42/1034252042.db2.gz PVWWKTHTTXDLDY-VKJFTORMSA-N 2 0 302.462 3.535 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000880254625 1034267705 /nfs/dbraw/zinc/26/77/05/1034267705.db2.gz JITFMZQXIWVVHS-SFHVURJKSA-N 2 0 308.510 3.534 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000480608820 1034340921 /nfs/dbraw/zinc/34/09/21/1034340921.db2.gz GKLDFTMZYJAGQM-XLIONFOSSA-N 2 0 318.505 3.822 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000480606445 1034349356 /nfs/dbraw/zinc/34/93/56/1034349356.db2.gz ANQKEUMSTOVVNG-HZPDHXFCSA-N 2 0 322.468 3.997 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000480624649 1034357307 /nfs/dbraw/zinc/35/73/07/1034357307.db2.gz LJFFUQPDVUHUGW-LJQANCHMSA-N 2 0 304.453 3.915 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000480622523 1034357767 /nfs/dbraw/zinc/35/77/67/1034357767.db2.gz YWDSYRKYQCUDKY-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP COc1cccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000183199080 1034360646 /nfs/dbraw/zinc/36/06/46/1034360646.db2.gz CTNBNBBTKZEFGK-SOLBZPMBSA-N 2 0 316.489 3.999 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCCCC1 ZINC000480659336 1034378972 /nfs/dbraw/zinc/37/89/72/1034378972.db2.gz FKEURINFIVDCFV-HKUYNNGSSA-N 2 0 322.537 3.968 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168363327 1034431956 /nfs/dbraw/zinc/43/19/56/1034431956.db2.gz XVNSTRNVWKYTLT-IBGZPJMESA-N 2 0 318.892 3.661 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000480754284 1034437503 /nfs/dbraw/zinc/43/75/03/1034437503.db2.gz YIXMQQAPCVOJMB-IBGZPJMESA-N 2 0 306.494 3.678 20 0 DHADRP C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@H]1CCC[NH+](C)C1 ZINC000128702176 1034484039 /nfs/dbraw/zinc/48/40/39/1034484039.db2.gz ITJZSWASAINECR-AWEZNQCLSA-N 2 0 317.864 3.662 20 0 DHADRP C[C@]1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCCS1 ZINC000120455092 1034566816 /nfs/dbraw/zinc/56/68/16/1034566816.db2.gz WLACHIQVZOQCIJ-GOSISDBHSA-N 2 0 310.551 3.906 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865398535 1034628281 /nfs/dbraw/zinc/62/82/81/1034628281.db2.gz XJSNXWVICLHEJJ-HNNXBMFYSA-N 2 0 317.452 3.974 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865398536 1034628677 /nfs/dbraw/zinc/62/86/77/1034628677.db2.gz XJSNXWVICLHEJJ-OAHLLOKOSA-N 2 0 317.452 3.974 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865414306 1034632508 /nfs/dbraw/zinc/63/25/08/1034632508.db2.gz BFJMVJQGVSLNSK-CYBMUJFWSA-N 2 0 313.848 3.618 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C(C)(C)C ZINC000865416534 1034635382 /nfs/dbraw/zinc/63/53/82/1034635382.db2.gz BNWIKRHKYBDKHY-SJORKVTESA-N 2 0 316.489 3.709 20 0 DHADRP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629524842 1034647360 /nfs/dbraw/zinc/64/73/60/1034647360.db2.gz UXUGVRGKMHYFBO-YNEHKIRRSA-N 2 0 304.821 3.564 20 0 DHADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000186844333 1034666415 /nfs/dbraw/zinc/66/64/15/1034666415.db2.gz YBLINWZLKLROAF-OAGGEKHMSA-N 2 0 312.379 3.549 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)C1 ZINC000187791675 1034734954 /nfs/dbraw/zinc/73/49/54/1034734954.db2.gz UHUVJRFHCLJDPQ-RHSMWYFYSA-N 2 0 320.502 3.554 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCC(C)(C)O1 ZINC001175063423 1034754915 /nfs/dbraw/zinc/75/49/15/1034754915.db2.gz YVJCCFFQCICIDM-SFHVURJKSA-N 2 0 304.478 3.528 20 0 DHADRP CCCCc1ccc([C@H](C)[NH2+]C2CCN(CCOC)CC2)cc1 ZINC000481424826 1034824480 /nfs/dbraw/zinc/82/44/80/1034824480.db2.gz ZAPBZAJNLBCNHZ-KRWDZBQOSA-N 2 0 318.505 3.791 20 0 DHADRP c1cc2c(o1)CCC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000192970491 1034824918 /nfs/dbraw/zinc/82/49/18/1034824918.db2.gz PZPJVSQKCVNXSY-SFHVURJKSA-N 2 0 311.429 3.558 20 0 DHADRP Fc1cccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC001168365883 1034825299 /nfs/dbraw/zinc/82/52/99/1034825299.db2.gz ZRWVRBAPKDIJBV-LJQANCHMSA-N 2 0 302.437 3.741 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cc(Cl)cs2)ccc1F ZINC000193107032 1034831144 /nfs/dbraw/zinc/83/11/44/1034831144.db2.gz JTBSRDGTSFABBZ-UHFFFAOYSA-N 2 0 312.841 3.892 20 0 DHADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365902 1034833463 /nfs/dbraw/zinc/83/34/63/1034833463.db2.gz ZZZWQYXNCAJVHJ-IBGZPJMESA-N 2 0 302.437 3.667 20 0 DHADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000555865382 1034932564 /nfs/dbraw/zinc/93/25/64/1034932564.db2.gz YAIPJHIPFURVCO-WOJBJXKFSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+](C)Cc1ccccc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506564 1035019385 /nfs/dbraw/zinc/01/93/85/1035019385.db2.gz GPRYRWHCUHQTKA-UHFFFAOYSA-N 2 0 321.468 3.950 20 0 DHADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCN1C(C)C ZINC001175601798 1035039691 /nfs/dbraw/zinc/03/96/91/1035039691.db2.gz SYXPEXIVZSWDNW-FQEVSTJZSA-N 2 0 323.569 3.549 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@H](C)C1 ZINC000482003809 1035042525 /nfs/dbraw/zinc/04/25/25/1035042525.db2.gz VSFSBMGZQPECAS-OXQOHEQNSA-N 2 0 313.489 3.947 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000482059492 1035052912 /nfs/dbraw/zinc/05/29/12/1035052912.db2.gz GHWNPSWFRLOCDH-SJSXWMTQSA-N 2 0 324.871 3.987 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000482132861 1035058480 /nfs/dbraw/zinc/05/84/80/1035058480.db2.gz IRUMKLVLZIZZNA-OXJNMPFZSA-N 2 0 316.489 3.828 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)C(C)(C)C ZINC000482217188 1035068201 /nfs/dbraw/zinc/06/82/01/1035068201.db2.gz FITLPYSIGNDVPH-LJQANCHMSA-N 2 0 318.505 3.510 20 0 DHADRP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000668063188 1035128669 /nfs/dbraw/zinc/12/86/69/1035128669.db2.gz GCIGDUNYANSNOZ-GOSISDBHSA-N 2 0 304.478 3.700 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CC3CC[NH+](C)CC3)c(C)c2c1 ZINC000482538112 1035132267 /nfs/dbraw/zinc/13/22/67/1035132267.db2.gz OZLZHAPXAFRLAN-CQSZACIVSA-N 2 0 316.445 3.742 20 0 DHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(C)C)CC1 ZINC000482557261 1035135044 /nfs/dbraw/zinc/13/50/44/1035135044.db2.gz KAJRUPZYLHCEGC-CVEARBPZSA-N 2 0 321.484 3.663 20 0 DHADRP CCc1cccc2cc(C[N@H+](C)[C@@H]3CCN(C)C[C@@H]3C)oc21 ZINC000668172192 1035203949 /nfs/dbraw/zinc/20/39/49/1035203949.db2.gz HGSOLXNPDSUOGQ-KBXCAEBGSA-N 2 0 300.446 3.767 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000483283415 1035252310 /nfs/dbraw/zinc/25/23/10/1035252310.db2.gz YIGHIULYRBYPBU-UHFFFAOYSA-N 2 0 300.899 3.955 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)ccc2Cl)CC1 ZINC000483535444 1035278321 /nfs/dbraw/zinc/27/83/21/1035278321.db2.gz YYRXMVNPJZAIRO-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000484495104 1035352628 /nfs/dbraw/zinc/35/26/28/1035352628.db2.gz PWAASQUBXOOBEH-FQEVSTJZSA-N 2 0 312.501 3.931 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc21 ZINC001177294912 1035360945 /nfs/dbraw/zinc/36/09/45/1035360945.db2.gz RXIPUBGPTLRQIJ-IYBDPMFKSA-N 2 0 313.489 3.934 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904301709 1035397215 /nfs/dbraw/zinc/39/72/15/1035397215.db2.gz PKYNJAGEAUWWTJ-UHFFFAOYSA-N 2 0 300.368 3.585 20 0 DHADRP Fc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1C(F)F ZINC000904351047 1035402932 /nfs/dbraw/zinc/40/29/32/1035402932.db2.gz UGHBFJPLSURUKI-CQSZACIVSA-N 2 0 312.379 3.585 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1C ZINC000904388963 1035407747 /nfs/dbraw/zinc/40/77/47/1035407747.db2.gz FPZRHINWHLEXCU-HNNXBMFYSA-N 2 0 310.441 3.500 20 0 DHADRP c1nc(C2CC2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416092 1035411057 /nfs/dbraw/zinc/41/10/57/1035411057.db2.gz GVKGDRRBGRSBBU-AWEZNQCLSA-N 2 0 319.518 3.622 20 0 DHADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195133319 1035414976 /nfs/dbraw/zinc/41/49/76/1035414976.db2.gz KARVXEXJAQGFDI-PKOBYXMFSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000195134470 1035415150 /nfs/dbraw/zinc/41/51/50/1035415150.db2.gz VCJHQKZPAVJACA-RDJZCZTQSA-N 2 0 300.471 3.921 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc3sccc3nc2Cl)CC1 ZINC001206325754 1035422724 /nfs/dbraw/zinc/42/27/24/1035422724.db2.gz IZBOMONMDUAXQV-INIZCTEOSA-N 2 0 323.893 3.901 20 0 DHADRP Clc1cscc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC001178310889 1035423434 /nfs/dbraw/zinc/42/34/34/1035423434.db2.gz MYKZDPNTRGAPHS-UHFFFAOYSA-N 2 0 321.877 3.803 20 0 DHADRP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206326287 1035425086 /nfs/dbraw/zinc/42/50/86/1035425086.db2.gz MILSRARJAHVQMZ-HNNXBMFYSA-N 2 0 316.276 3.648 20 0 DHADRP CC(C)COc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC001178449568 1035427079 /nfs/dbraw/zinc/42/70/79/1035427079.db2.gz TWEWBBSOCWIRHG-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP C[C@@H](CCc1ccccc1)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001178449693 1035427471 /nfs/dbraw/zinc/42/74/71/1035427471.db2.gz VCCXQIRDCYDYBZ-SFHVURJKSA-N 2 0 302.506 3.967 20 0 DHADRP CCOc1cccc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c1 ZINC001178774238 1035448746 /nfs/dbraw/zinc/44/87/46/1035448746.db2.gz HSKQDXNVEDLNFJ-SFHVURJKSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001179147701 1035466416 /nfs/dbraw/zinc/46/64/16/1035466416.db2.gz JEKWAGWXYUQORN-YSIASYRMSA-N 2 0 322.537 3.682 20 0 DHADRP F[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001179304563 1035472763 /nfs/dbraw/zinc/47/27/63/1035472763.db2.gz NSYGSYGPJIZVCE-RBUKOAKNSA-N 2 0 320.452 3.532 20 0 DHADRP CCOC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000189346198 1035522361 /nfs/dbraw/zinc/52/23/61/1035522361.db2.gz AORZJCMCRQLXOX-UHOSZYNNSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccccc1-c1cnc(CN2CCC(n3ccnc3)CC2)o1 ZINC000535265229 1035530374 /nfs/dbraw/zinc/53/03/74/1035530374.db2.gz QMUMZZHGVBHQTJ-UHFFFAOYSA-N 2 0 322.412 3.684 20 0 DHADRP C[C@@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1cc(F)cc(F)c1 ZINC001180097752 1035598614 /nfs/dbraw/zinc/59/86/14/1035598614.db2.gz HMQVSEAGUIZTSQ-KSSFIOAISA-N 2 0 310.432 3.875 20 0 DHADRP CCc1ccc(C)[nH+]c1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000668478176 1035611298 /nfs/dbraw/zinc/61/12/98/1035611298.db2.gz LARMNAUHJQSROB-UHFFFAOYSA-N 2 0 315.383 3.781 20 0 DHADRP CCOc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC001180164875 1035617008 /nfs/dbraw/zinc/61/70/08/1035617008.db2.gz CVYLWGGOQPKYBL-UHFFFAOYSA-N 2 0 318.505 3.946 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC001180300709 1035637986 /nfs/dbraw/zinc/63/79/86/1035637986.db2.gz CKIPIADNOHGVRB-QGZVFWFLSA-N 2 0 308.897 3.983 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(OC(C)(C)C)cc2)CC[C@@H]1C[NH3+] ZINC001205636921 1035647889 /nfs/dbraw/zinc/64/78/89/1035647889.db2.gz FZQOWXDULZJKCB-NVXWUHKLSA-N 2 0 304.478 3.671 20 0 DHADRP C[C@H]1C[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)C1 ZINC000668486869 1035665602 /nfs/dbraw/zinc/66/56/02/1035665602.db2.gz SEHYXSGMDCWYAR-FVQHAEBGSA-N 2 0 301.478 3.712 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000191498026 1035695953 /nfs/dbraw/zinc/69/59/53/1035695953.db2.gz OKZYULUGWVBSGM-IBGZPJMESA-N 2 0 323.569 3.551 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH+]2C3CCCC2CCC3)cc1 ZINC001204271389 1035708618 /nfs/dbraw/zinc/70/86/18/1035708618.db2.gz LPNPJMPIZSAODB-UHFFFAOYSA-N 2 0 316.489 3.924 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC[C@H]2CCCCO2)CC1 ZINC001180635429 1035734993 /nfs/dbraw/zinc/73/49/93/1035734993.db2.gz ZVNHKWJCLNVXFE-MISYRCLQSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000191822079 1035735099 /nfs/dbraw/zinc/73/50/99/1035735099.db2.gz HQSHHDVOGQUWAP-KRWDZBQOSA-N 2 0 303.494 3.669 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000539494043 1035746339 /nfs/dbraw/zinc/74/63/39/1035746339.db2.gz VYULHQQATHCGJL-MJGOQNOKSA-N 2 0 302.462 3.610 20 0 DHADRP Oc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000071007267 1035768772 /nfs/dbraw/zinc/76/87/72/1035768772.db2.gz IASJWTNYMCMBBW-UHFFFAOYSA-N 2 0 310.441 3.668 20 0 DHADRP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001193987187 1035789058 /nfs/dbraw/zinc/78/90/58/1035789058.db2.gz BFWLBJNWYXKNLP-NXHRZFHOSA-N 2 0 322.443 3.732 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)C[NH+]1CCCCC1 ZINC000192704046 1035808128 /nfs/dbraw/zinc/80/81/28/1035808128.db2.gz MZBGYMXFWNUDTQ-LPHOPBHVSA-N 2 0 301.478 3.645 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC001181458274 1035917419 /nfs/dbraw/zinc/91/74/19/1035917419.db2.gz UPZLWSYMXJVUPB-RBUKOAKNSA-N 2 0 318.530 3.902 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168468991 1035942621 /nfs/dbraw/zinc/94/26/21/1035942621.db2.gz QSDLAWBIRMFXMP-HNNXBMFYSA-N 2 0 306.469 3.999 20 0 DHADRP C[C@]1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCS1 ZINC000327641102 1036041104 /nfs/dbraw/zinc/04/11/04/1036041104.db2.gz RGVHXBPTNUJSSW-RBUKOAKNSA-N 2 0 318.530 3.774 20 0 DHADRP CC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC000540412187 1036057478 /nfs/dbraw/zinc/05/74/78/1036057478.db2.gz NGUNOAWDELNRPB-UHFFFAOYSA-N 2 0 301.261 3.610 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000227328098 1036074787 /nfs/dbraw/zinc/07/47/87/1036074787.db2.gz YUDPGCRTFMVZMJ-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CCOc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000494930752 1036122048 /nfs/dbraw/zinc/12/20/48/1036122048.db2.gz PIECUTXIMNHTDC-QGZVFWFLSA-N 2 0 320.452 3.675 20 0 DHADRP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001203300558 1036184714 /nfs/dbraw/zinc/18/47/14/1036184714.db2.gz NRTMFOUJXLQBLA-UXHICEINSA-N 2 0 324.468 3.932 20 0 DHADRP C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540961871 1036200550 /nfs/dbraw/zinc/20/05/50/1036200550.db2.gz KBRILPNFAUMUMU-UZLBHIALSA-N 2 0 312.501 3.923 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000495080237 1036227146 /nfs/dbraw/zinc/22/71/46/1036227146.db2.gz QHAJWCJJOGSKBP-WAYWQWQTSA-N 2 0 301.478 3.539 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc[nH]1 ZINC000774266286 1036269476 /nfs/dbraw/zinc/26/94/76/1036269476.db2.gz JYIKIHQLWVCJDA-OQIJWPOYSA-N 2 0 309.457 3.861 20 0 DHADRP CC[NH+]1CCC(C[N@H+](C)Cc2ccc(OC)c(Cl)c2)CC1 ZINC001182423972 1036274566 /nfs/dbraw/zinc/27/45/66/1036274566.db2.gz MXLSKLYQZWWPGI-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP Cc1[nH+]c2ccccc2c(NC2CC[NH+](CC3CC3)CC2)c1C ZINC000541349945 1036306486 /nfs/dbraw/zinc/30/64/86/1036306486.db2.gz GBPUKDHDFVFFBJ-UHFFFAOYSA-N 2 0 309.457 3.560 20 0 DHADRP [NH3+][C@@H]1CCCN(Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001205124577 1036379425 /nfs/dbraw/zinc/37/94/25/1036379425.db2.gz VTFJUKNTTYPEDX-CQSZACIVSA-N 2 0 321.877 3.777 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000230391514 1036381468 /nfs/dbraw/zinc/38/14/68/1036381468.db2.gz DVUJKLDIGHJNGG-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC(F)CC1 ZINC000668684990 1036420972 /nfs/dbraw/zinc/42/09/72/1036420972.db2.gz BTDACLDWZNFTMN-QQFBHYJXSA-N 2 0 305.441 3.557 20 0 DHADRP C[C@@H]1CCCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000541774940 1036422027 /nfs/dbraw/zinc/42/20/27/1036422027.db2.gz AICSTWYTRDYVCJ-QAPCUYQASA-N 2 0 316.493 3.603 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCSC1 ZINC000486939176 1036476988 /nfs/dbraw/zinc/47/69/88/1036476988.db2.gz JKFGGZJQOJUSFZ-SJORKVTESA-N 2 0 318.530 3.904 20 0 DHADRP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000495391010 1036606558 /nfs/dbraw/zinc/60/65/58/1036606558.db2.gz KLNHZTVOOOJZAS-ZCNNSNEGSA-N 2 0 314.448 3.978 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000487570267 1036685141 /nfs/dbraw/zinc/68/51/41/1036685141.db2.gz GBNPDEUYOTWBKJ-UHFFFAOYSA-N 2 0 310.869 3.560 20 0 DHADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccnc3c(Cl)cccc23)CC1 ZINC001205288986 1036728821 /nfs/dbraw/zinc/72/88/21/1036728821.db2.gz QXKAXYBHQIIPCG-KRWDZBQOSA-N 2 0 303.837 3.592 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(OC)cc2)C2CCC2)CC1 ZINC001184125675 1036744196 /nfs/dbraw/zinc/74/41/96/1036744196.db2.gz WLEBVBBSFDEBRW-FQEVSTJZSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134694 1036745739 /nfs/dbraw/zinc/74/57/39/1036745739.db2.gz GWEFUSXBFZOVKX-GXTWGEPZSA-N 2 0 312.910 3.654 20 0 DHADRP CC1(C)CC[N@H+](Cc2cc3c(cccc3O)s2)CC(C)(C)[NH2+]1 ZINC001184373856 1036825920 /nfs/dbraw/zinc/82/59/20/1036825920.db2.gz DOVCHSFKKAPEIT-UHFFFAOYSA-N 2 0 318.486 3.959 20 0 DHADRP C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001205297020 1036836243 /nfs/dbraw/zinc/83/62/43/1036836243.db2.gz WYWPJKCBPQQZKB-DZGCQCFKSA-N 2 0 314.395 3.555 20 0 DHADRP CC(C)CSCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492602034 1036942511 /nfs/dbraw/zinc/94/25/11/1036942511.db2.gz NLCFWZKROXCHHC-MJGOQNOKSA-N 2 0 320.546 3.876 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000236780590 1036981067 /nfs/dbraw/zinc/98/10/67/1036981067.db2.gz WZNHWZZTMSFEQA-INIZCTEOSA-N 2 0 304.478 3.999 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000237185951 1036998804 /nfs/dbraw/zinc/99/88/04/1036998804.db2.gz JVLWXDCQXAJZJU-GOSISDBHSA-N 2 0 310.441 3.910 20 0 DHADRP CCC1(C[NH2+]C[C@H]2C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000488444788 1037015290 /nfs/dbraw/zinc/01/52/90/1037015290.db2.gz WIDJYHRBQLQUCL-PKOBYXMFSA-N 2 0 300.490 3.924 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CS1 ZINC000488455672 1037026178 /nfs/dbraw/zinc/02/61/78/1037026178.db2.gz FSOCIBYUTKTIHK-QZTJIDSGSA-N 2 0 306.519 3.628 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000175717816 1037073669 /nfs/dbraw/zinc/07/36/69/1037073669.db2.gz UBTDJURMYJCJHB-CJNGLKHVSA-N 2 0 314.395 3.868 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)c2c1 ZINC000488745863 1037126139 /nfs/dbraw/zinc/12/61/39/1037126139.db2.gz FAALBDJRLWDWPY-MRXNPFEDSA-N 2 0 309.457 3.854 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000488775736 1037136330 /nfs/dbraw/zinc/13/63/30/1037136330.db2.gz LZIZUVAZZYSMIH-HXUWFJFHSA-N 2 0 309.457 3.638 20 0 DHADRP CCc1cccc(C[NH2+]CCCN2CCc3ccccc3C2)c1 ZINC001199238183 1037223382 /nfs/dbraw/zinc/22/33/82/1037223382.db2.gz LQYSAIIUIPYSFV-UHFFFAOYSA-N 2 0 308.469 3.787 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000924842735 1037234149 /nfs/dbraw/zinc/23/41/49/1037234149.db2.gz HWUXHYRLJMTNKN-ZWKOTPCHSA-N 2 0 320.521 3.719 20 0 DHADRP CC[C@H]1C[C@@H](C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001199295684 1037234903 /nfs/dbraw/zinc/23/49/03/1037234903.db2.gz LHYZUJWPUUBFQZ-PXNSSMCTSA-N 2 0 318.505 3.822 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cccc3cnccc32)CC1 ZINC001199329798 1037243987 /nfs/dbraw/zinc/24/39/87/1037243987.db2.gz ZZXDOGSVEODJRS-UHFFFAOYSA-N 2 0 311.473 3.837 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C3CCC3)CC2)cc1 ZINC000178157082 1037298328 /nfs/dbraw/zinc/29/83/28/1037298328.db2.gz LHHSTICHAXGZLZ-MRXNPFEDSA-N 2 0 316.489 3.685 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000178137170 1037299774 /nfs/dbraw/zinc/29/97/74/1037299774.db2.gz AHPZELXQLJDCLZ-GOSISDBHSA-N 2 0 318.505 3.967 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]Cc1ccc2scnc2c1 ZINC001199830530 1037343401 /nfs/dbraw/zinc/34/34/01/1037343401.db2.gz NNQUMGNCEGZGNX-UHFFFAOYSA-N 2 0 305.491 3.898 20 0 DHADRP C1=CO[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000774995831 1037346824 /nfs/dbraw/zinc/34/68/24/1037346824.db2.gz YQINTJOACYCWQM-HXUWFJFHSA-N 2 0 314.473 3.845 20 0 DHADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000775016651 1037399101 /nfs/dbraw/zinc/39/91/01/1037399101.db2.gz RCJNBGMSTUMERK-HXUWFJFHSA-N 2 0 314.473 3.845 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H]2CCC=CO2)C[N@@H+]1Cc1ccccc1 ZINC000775035530 1037448154 /nfs/dbraw/zinc/44/81/54/1037448154.db2.gz ZWRSJFTYRRAAQH-RLLQIKCJSA-N 2 0 314.473 3.569 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000398052550 1037586284 /nfs/dbraw/zinc/58/62/84/1037586284.db2.gz YHXGBGSOZZSPFV-BPQIPLTHSA-N 2 0 322.443 3.922 20 0 DHADRP c1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CC=CCC2)CC3)co1 ZINC001201415295 1037655809 /nfs/dbraw/zinc/65/58/09/1037655809.db2.gz BFYLVURORCFGHI-GOSISDBHSA-N 2 0 314.473 3.924 20 0 DHADRP COC1CC[NH+](C2CC[NH+](C[C@H](C)CCC=C(C)C)CC2)CC1 ZINC001201497120 1037715065 /nfs/dbraw/zinc/71/50/65/1037715065.db2.gz UTCQCJPXYQJHJZ-GOSISDBHSA-N 2 0 322.537 3.944 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606205 1037803695 /nfs/dbraw/zinc/80/36/95/1037803695.db2.gz OYIPNUMKDIPPFE-VXKWHMMOSA-N 2 0 320.480 3.683 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606203 1037806242 /nfs/dbraw/zinc/80/62/42/1037806242.db2.gz OYIPNUMKDIPPFE-FCHUYYIVSA-N 2 0 320.480 3.683 20 0 DHADRP Cc1cc(C)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1C ZINC001201667717 1037821042 /nfs/dbraw/zinc/82/10/42/1037821042.db2.gz GILYEFPMPCQOMY-UHFFFAOYSA-N 2 0 310.445 3.502 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000124159207 1037886749 /nfs/dbraw/zinc/88/67/49/1037886749.db2.gz RHHLMWHVYRADMP-JKSUJKDBSA-N 2 0 312.457 3.841 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124351859 1037892257 /nfs/dbraw/zinc/89/22/57/1037892257.db2.gz YFYMBTDVQYAAAA-IRXDYDNUSA-N 2 0 316.489 3.856 20 0 DHADRP Cc1ccc(SC[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000186473810 1037907801 /nfs/dbraw/zinc/90/78/01/1037907801.db2.gz CAGAGRPWPJJVMA-INIZCTEOSA-N 2 0 306.519 3.938 20 0 DHADRP Cc1ccc(F)cc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000775202249 1037994965 /nfs/dbraw/zinc/99/49/65/1037994965.db2.gz SZDXWCPQPNPYQU-UHFFFAOYSA-N 2 0 300.421 3.828 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000126421406 1038068443 /nfs/dbraw/zinc/06/84/43/1038068443.db2.gz BNVXJYCLBNENJX-KDOFPFPSSA-N 2 0 308.897 3.907 20 0 DHADRP CSC1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CC[NH+](C)CC1 ZINC000571129091 1038087343 /nfs/dbraw/zinc/08/73/43/1038087343.db2.gz BQMKKNYQNMHSQH-SFHVURJKSA-N 2 0 318.530 3.945 20 0 DHADRP CCCCOc1ccccc1C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000066152285 1038142908 /nfs/dbraw/zinc/14/29/08/1038142908.db2.gz DTBDAKSLZYUCIO-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP C[C@@H](C[NH2+]CCCCNc1ccccn1)c1ccc(F)cc1 ZINC000127861829 1038216520 /nfs/dbraw/zinc/21/65/20/1038216520.db2.gz KQZCJQDPAPEAEG-HNNXBMFYSA-N 2 0 301.409 3.806 20 0 DHADRP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc2c1OCC2 ZINC000077324974 1038287477 /nfs/dbraw/zinc/28/74/77/1038287477.db2.gz RNRNERKWTDZGKR-UHFFFAOYSA-N 2 0 322.452 3.507 20 0 DHADRP COc1cccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168387752 1038444735 /nfs/dbraw/zinc/44/47/35/1038444735.db2.gz SIUZYWHHFCRKQV-FQEVSTJZSA-N 2 0 314.473 3.707 20 0 DHADRP Cc1ccncc1CCC[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000572646910 1038488971 /nfs/dbraw/zinc/48/89/71/1038488971.db2.gz PRWZDLQEVRVTRA-UHFFFAOYSA-N 2 0 317.521 3.957 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+](CC2CCCCC2)CC1 ZINC001192324772 1038630375 /nfs/dbraw/zinc/63/03/75/1038630375.db2.gz LLFJUTOZGJBDHK-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603077 1038678024 /nfs/dbraw/zinc/67/80/24/1038678024.db2.gz NPUCHFUUUDKGTI-KSZLIROESA-N 2 0 312.542 3.915 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603916 1038681857 /nfs/dbraw/zinc/68/18/57/1038681857.db2.gz SOTJTNVRGMCCQG-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@H]1C[NH3+] ZINC001205603911 1038681912 /nfs/dbraw/zinc/68/19/12/1038681912.db2.gz SNWWZCIQZAFPNM-RYUDHWBXSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603986 1038683387 /nfs/dbraw/zinc/68/33/87/1038683387.db2.gz SXRJOCAQNBKQDZ-OLZOCXBDSA-N 2 0 300.368 3.512 20 0 DHADRP C[NH+](CCC1CC1)Cc1cncc(C[N@H+](C)CCC2CC2)c1 ZINC000573059423 1038740288 /nfs/dbraw/zinc/74/02/88/1038740288.db2.gz HMEKTVXLRZUTFZ-UHFFFAOYSA-N 2 0 301.478 3.545 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413828 1038869902 /nfs/dbraw/zinc/86/99/02/1038869902.db2.gz BFRRDOMKIYPESG-IOJLRTSASA-N 2 0 318.480 3.926 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000760881558 1038957061 /nfs/dbraw/zinc/95/70/61/1038957061.db2.gz MAYFJMGUQFSJTK-IBGZPJMESA-N 2 0 304.453 3.880 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001168415300 1039134221 /nfs/dbraw/zinc/13/42/21/1039134221.db2.gz NARVQJWWXTVULB-IBGZPJMESA-N 2 0 316.464 3.537 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000574116164 1039408721 /nfs/dbraw/zinc/40/87/21/1039408721.db2.gz MRNWYYXHVHUTMI-JCNLHEQBSA-N 2 0 302.437 3.536 20 0 DHADRP C[C@@H](CSCCF)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000595016777 1039975781 /nfs/dbraw/zinc/97/57/81/1039975781.db2.gz SCBOKSXDODFLLB-WMZOPIPTSA-N 2 0 324.509 3.579 20 0 DHADRP C[C@H](CSCCF)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595035595 1040041614 /nfs/dbraw/zinc/04/16/14/1040041614.db2.gz XVDNDWPROYHFIT-SOLBZPMBSA-N 2 0 324.509 3.578 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000574887042 1040056487 /nfs/dbraw/zinc/05/64/87/1040056487.db2.gz HVWDUPYTPMNACS-JMSVASOKSA-N 2 0 300.368 3.621 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H](OC)C2CCC2)CC1)CC1CC1 ZINC001168423249 1040192768 /nfs/dbraw/zinc/19/27/68/1040192768.db2.gz FWSPYLXORZFYEN-FQEVSTJZSA-N 2 0 322.537 3.636 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000608092653 1040383231 /nfs/dbraw/zinc/38/32/31/1040383231.db2.gz BMSCCGWOUFYCSE-GOSISDBHSA-N 2 0 317.436 3.946 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCCCCCO)C1 ZINC000173748839 1040402373 /nfs/dbraw/zinc/40/23/73/1040402373.db2.gz QVXCFTGGBVMPBH-RTBURBONSA-N 2 0 310.526 3.516 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000534347166 1040814082 /nfs/dbraw/zinc/81/40/82/1040814082.db2.gz NZBPOTPGCGMHQH-UHFFFAOYSA-N 2 0 323.550 3.993 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272671643 130051004 /nfs/dbraw/zinc/05/10/04/130051004.db2.gz KRCQBGFOZWKVMM-IXDOHACOSA-N 2 0 301.478 3.694 20 0 DHADRP CC(C)OCCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274759503 130259667 /nfs/dbraw/zinc/25/96/67/130259667.db2.gz JUKHISSZTOSNAV-QUCCMNQESA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000275585215 130342276 /nfs/dbraw/zinc/34/22/76/130342276.db2.gz OAMPQWFVPAZEFK-VQIMIIECSA-N 2 0 304.453 3.924 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000284433013 131079979 /nfs/dbraw/zinc/07/99/79/131079979.db2.gz RMHUGTPRHTWRAU-CWFSZBLJSA-N 2 0 316.489 3.650 20 0 DHADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000285079166 131135800 /nfs/dbraw/zinc/13/58/00/131135800.db2.gz JNFXJHWVLPHSEE-VNCLNFNDSA-N 2 0 312.461 3.504 20 0 DHADRP Cc1ccnc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000286314562 131229474 /nfs/dbraw/zinc/22/94/74/131229474.db2.gz XGKVRFPVXQUEMI-QGZVFWFLSA-N 2 0 303.494 3.799 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1CC(F)(F)C1 ZINC000295661184 131914365 /nfs/dbraw/zinc/91/43/65/131914365.db2.gz FBHUZICAASQZBD-HUUCEWRRSA-N 2 0 322.443 3.778 20 0 DHADRP FC1(F)CCCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297341569 132011476 /nfs/dbraw/zinc/01/14/76/132011476.db2.gz FEXNVWPFPGOILO-OAHLLOKOSA-N 2 0 323.431 3.856 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000297490256 132018888 /nfs/dbraw/zinc/01/88/88/132018888.db2.gz KLEFKBSVUKSETN-GJZGRUSLSA-N 2 0 309.413 3.625 20 0 DHADRP Cc1cccnc1[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000298318002 132055900 /nfs/dbraw/zinc/05/59/00/132055900.db2.gz IFEROIRWFCIITL-LJQANCHMSA-N 2 0 324.472 3.741 20 0 DHADRP CCOc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)ccc1O ZINC000298455621 132063776 /nfs/dbraw/zinc/06/37/76/132063776.db2.gz ODHZPQUOWZBROP-UHFFFAOYSA-N 2 0 320.477 3.537 20 0 DHADRP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152414567 335066760 /nfs/dbraw/zinc/06/67/60/335066760.db2.gz UKWBABAWDFMUDU-LSDHHAIUSA-N 2 0 304.503 3.934 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000468549718 335071707 /nfs/dbraw/zinc/07/17/07/335071707.db2.gz WRGDBCBJAZLEFI-LNLFQRSKSA-N 2 0 318.505 3.690 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000173226850 332825423 /nfs/dbraw/zinc/82/54/23/332825423.db2.gz DCRWXPKSMFQHNY-DNVCBOLYSA-N 2 0 304.478 3.783 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312626209 331689756 /nfs/dbraw/zinc/68/97/56/331689756.db2.gz OIOKXMKQWISMDP-UHFFFAOYSA-N 2 0 307.290 3.876 20 0 DHADRP CCC1CC([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000556582497 331716584 /nfs/dbraw/zinc/71/65/84/331716584.db2.gz AJXGMYINJSPTDO-XNYRCJLNSA-N 2 0 300.490 3.921 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000087758306 331772570 /nfs/dbraw/zinc/77/25/70/331772570.db2.gz JUAGBYXSZWCGDW-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC[NH+]2CCCC2)CC1 ZINC000449217647 331959979 /nfs/dbraw/zinc/95/99/79/331959979.db2.gz ARUPMTZFQCQDFS-UHFFFAOYSA-N 2 0 323.569 3.741 20 0 DHADRP CCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000518266727 332002845 /nfs/dbraw/zinc/00/28/45/332002845.db2.gz AUABNZIRRDDJDK-IAGOWNOFSA-N 2 0 304.478 3.543 20 0 DHADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000518272779 332004452 /nfs/dbraw/zinc/00/44/52/332004452.db2.gz OBTYHBYDBXFOMK-SDXDJHTJSA-N 2 0 324.468 3.820 20 0 DHADRP CC(C)[NH+]1CCC(N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000128947582 332015871 /nfs/dbraw/zinc/01/58/71/332015871.db2.gz NZGTYGCLTLCVJD-KRWDZBQOSA-N 2 0 302.462 3.751 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3ccc4ccccc4c3)C2)C1 ZINC000559310721 332023184 /nfs/dbraw/zinc/02/31/84/332023184.db2.gz BYVGYMXGXQAYBP-OAQYLSRUSA-N 2 0 308.469 3.800 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCCC23CCCCC3)CC[NH+](C)CC1 ZINC000449338509 332050382 /nfs/dbraw/zinc/05/03/82/332050382.db2.gz SCFXIZABMZFCMN-MRXNPFEDSA-N 2 0 310.551 3.906 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000518501870 332068390 /nfs/dbraw/zinc/06/83/90/332068390.db2.gz BNASNSTVFMBHGD-IBGZPJMESA-N 2 0 316.489 3.830 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000159343646 332078945 /nfs/dbraw/zinc/07/89/45/332078945.db2.gz NRQIQOVNOAJUAW-IBGZPJMESA-N 2 0 310.526 3.560 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000449401389 332133582 /nfs/dbraw/zinc/13/35/82/332133582.db2.gz GXJYWGNVUCXAFP-UHFFFAOYSA-N 2 0 308.510 3.602 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCOCC1 ZINC000559616662 332274283 /nfs/dbraw/zinc/27/42/83/332274283.db2.gz KCECJSMLTNORNB-RTBURBONSA-N 2 0 308.510 3.578 20 0 DHADRP c1ccc(COC2CC([NH2+]CCCCC[NH+]3CCCC3)C2)cc1 ZINC000559891644 332289761 /nfs/dbraw/zinc/28/97/61/332289761.db2.gz RIPMQWBBAXPEHO-UHFFFAOYSA-N 2 0 316.489 3.590 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC000560524615 332350635 /nfs/dbraw/zinc/35/06/35/332350635.db2.gz ILAXGHPRSCMYOS-BZSNNMDCSA-N 2 0 318.892 3.834 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000560544510 332356348 /nfs/dbraw/zinc/35/63/48/332356348.db2.gz OTGMBWRWQIPLCG-WZOJCFFYSA-N 2 0 304.453 3.924 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000387555170 332359096 /nfs/dbraw/zinc/35/90/96/332359096.db2.gz RJMGXXHVUIXGNC-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427696336 332491277 /nfs/dbraw/zinc/49/12/77/332491277.db2.gz PNILTFIEUXPFAY-WOJBJXKFSA-N 2 0 318.505 3.783 20 0 DHADRP C[NH2+]CCC1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000261679186 332640713 /nfs/dbraw/zinc/64/07/13/332640713.db2.gz HXEHHINTUWWMDT-UHFFFAOYSA-N 2 0 312.457 3.540 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC000171141783 332641848 /nfs/dbraw/zinc/64/18/48/332641848.db2.gz VYPCRMUYEOBHLG-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000572632238 332684692 /nfs/dbraw/zinc/68/46/92/332684692.db2.gz VLNWUBSWCVJEKD-MHJFOBGBSA-N 2 0 322.537 3.560 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000570041842 332705892 /nfs/dbraw/zinc/70/58/92/332705892.db2.gz GDUXIHOEVIYWRO-INIZCTEOSA-N 2 0 318.505 3.558 20 0 DHADRP Cc1ncsc1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178914018 333021880 /nfs/dbraw/zinc/02/18/80/333021880.db2.gz ZDMIEBUNTDGCRA-UHFFFAOYSA-N 2 0 321.534 3.582 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000181133241 333029244 /nfs/dbraw/zinc/02/92/44/333029244.db2.gz CJZZCIOPVLPDQJ-WFASDCNBSA-N 2 0 311.267 3.584 20 0 DHADRP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000366822718 335122253 /nfs/dbraw/zinc/12/22/53/335122253.db2.gz JJCWAUDAYUPLQP-ZCNNSNEGSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cccnc2)CC1 ZINC000177869572 333132753 /nfs/dbraw/zinc/13/27/53/333132753.db2.gz PMIZZUVJNYMUHJ-SFHVURJKSA-N 2 0 315.505 3.601 20 0 DHADRP CCCCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000319064578 333252406 /nfs/dbraw/zinc/25/24/06/333252406.db2.gz MGBQEEIYGWZEBW-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCCCCC1 ZINC000502269460 333288048 /nfs/dbraw/zinc/28/80/48/333288048.db2.gz ORVKPMODRYRVSL-RTBURBONSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000390635225 333308646 /nfs/dbraw/zinc/30/86/46/333308646.db2.gz JRJPJJWRGDWTFC-UHFFFAOYSA-N 2 0 309.457 3.964 20 0 DHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1OC(F)F ZINC000525783747 333309702 /nfs/dbraw/zinc/30/97/02/333309702.db2.gz FJGPMKSHGDEOLP-HNNXBMFYSA-N 2 0 312.404 3.594 20 0 DHADRP C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)N(C)Cc1ccccc1 ZINC000111389293 333329349 /nfs/dbraw/zinc/32/93/49/333329349.db2.gz QROYYHRBGGMHDH-QGZVFWFLSA-N 2 0 322.452 3.573 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000323466799 333338538 /nfs/dbraw/zinc/33/85/38/333338538.db2.gz WHEWFHGRFXJSQJ-QGZVFWFLSA-N 2 0 312.457 3.582 20 0 DHADRP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000390785367 333393522 /nfs/dbraw/zinc/39/35/22/333393522.db2.gz VZRPVQDUCLZCJZ-WOJBJXKFSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1Br ZINC000563154268 333398031 /nfs/dbraw/zinc/39/80/31/333398031.db2.gz VBVBFXBAOQJZSB-LBPRGKRZSA-N 2 0 319.246 3.759 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCC4)CC2)c1 ZINC000337416633 333448517 /nfs/dbraw/zinc/44/85/17/333448517.db2.gz ZNAONYQLJUKQAG-KRWDZBQOSA-N 2 0 304.503 3.882 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000320800460 335143835 /nfs/dbraw/zinc/14/38/35/335143835.db2.gz PKUKRGVXHXSIOJ-HXUWFJFHSA-N 2 0 316.489 3.927 20 0 DHADRP COC1(C)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411487640 333680268 /nfs/dbraw/zinc/68/02/68/333680268.db2.gz WHPRIOFVEDOBNR-UHFFFAOYSA-N 2 0 316.489 3.673 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000571545112 333815266 /nfs/dbraw/zinc/81/52/66/333815266.db2.gz QWRCIEKRRVUXQO-LGMDPLHJSA-N 2 0 316.489 3.558 20 0 DHADRP COc1ccc([C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C(C)C)cc1 ZINC000414194581 333912190 /nfs/dbraw/zinc/91/21/90/333912190.db2.gz VUIIHRVASYICOG-LJQANCHMSA-N 2 0 309.413 3.830 20 0 DHADRP CCC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OC)cc1 ZINC000414196156 333912504 /nfs/dbraw/zinc/91/25/04/333912504.db2.gz WWQTXFKFKYMMEK-IBGZPJMESA-N 2 0 309.413 3.974 20 0 DHADRP COCC[C@@H](C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000414200181 333913176 /nfs/dbraw/zinc/91/31/76/333913176.db2.gz AWVNFJAWPTVVBB-MRXNPFEDSA-N 2 0 312.542 3.928 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1C ZINC000273025917 334042236 /nfs/dbraw/zinc/04/22/36/334042236.db2.gz DLBXEOZUGVAFFY-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP C[NH2+]CCC1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000414655613 334056372 /nfs/dbraw/zinc/05/63/72/334056372.db2.gz DJPGCXHMJYSMFH-VQTJNVASSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000274306332 334059399 /nfs/dbraw/zinc/05/93/99/334059399.db2.gz SDKPKYVXUMMFCL-HNNXBMFYSA-N 2 0 302.462 3.776 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000414662079 334060771 /nfs/dbraw/zinc/06/07/71/334060771.db2.gz PXHXJSKYRLIOSZ-MAUKXSAKSA-N 2 0 310.441 3.531 20 0 DHADRP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414663545 334061760 /nfs/dbraw/zinc/06/17/60/334061760.db2.gz SKGUPDOZVFGRAK-JSGCOSHPSA-N 2 0 300.368 3.573 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414675743 334066924 /nfs/dbraw/zinc/06/69/24/334066924.db2.gz GNNAIKDBPZYNFQ-FCEWJHQRSA-N 2 0 302.462 3.610 20 0 DHADRP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCC[C@H]1C ZINC000414729261 334074864 /nfs/dbraw/zinc/07/48/64/334074864.db2.gz QNPUJMZZPPGLIA-DJIMGWMZSA-N 2 0 321.534 3.689 20 0 DHADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000343534286 335175907 /nfs/dbraw/zinc/17/59/07/335175907.db2.gz IOHPDQBQOCZQNM-WMZOPIPTSA-N 2 0 315.848 3.997 20 0 DHADRP c1c2ccccc2sc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786281 334096240 /nfs/dbraw/zinc/09/62/40/334096240.db2.gz ULYDSPBKPGKILT-JKSUJKDBSA-N 2 0 300.471 3.723 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414791351 334098111 /nfs/dbraw/zinc/09/81/11/334098111.db2.gz HSXBUYJOJZAREV-MFKMUULPSA-N 2 0 306.759 3.576 20 0 DHADRP COc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)ccc1SC ZINC000414807725 334104257 /nfs/dbraw/zinc/10/42/57/334104257.db2.gz JMEIAXIIPNUEPD-CYBMUJFWSA-N 2 0 316.470 3.727 20 0 DHADRP CCC([NH3+])(CC)CNCc1csc(-c2ccc(F)cc2)n1 ZINC000414810899 334105584 /nfs/dbraw/zinc/10/55/84/334105584.db2.gz YEFMSDIRYPBELI-UHFFFAOYSA-N 2 0 307.438 3.556 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000414811083 334105646 /nfs/dbraw/zinc/10/56/46/334105646.db2.gz ITATYLUVDKDXJC-KZULUSFZSA-N 2 0 300.833 3.617 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000414811611 334105845 /nfs/dbraw/zinc/10/58/45/334105845.db2.gz PWXQYPNXYOUIHE-LBPRGKRZSA-N 2 0 319.246 3.759 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414824157 334108807 /nfs/dbraw/zinc/10/88/07/334108807.db2.gz QDAKHWIVSFGIIF-VNHYZAJKSA-N 2 0 314.395 3.787 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414836581 334111625 /nfs/dbraw/zinc/11/16/25/334111625.db2.gz SXRUIIATSIMSBB-ZFWWWQNUSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414837570 334111792 /nfs/dbraw/zinc/11/17/92/334111792.db2.gz KLHYSFRXQPQZEZ-DZGCQCFKSA-N 2 0 314.395 3.616 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414845334 334115400 /nfs/dbraw/zinc/11/54/00/334115400.db2.gz SIWNNQNKPBRQHH-ZVZYQTTQSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414853572 334127073 /nfs/dbraw/zinc/12/70/73/334127073.db2.gz LBTWPHBOECPVPM-NXHKRRBXSA-N 2 0 300.490 3.937 20 0 DHADRP Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000343615071 335177589 /nfs/dbraw/zinc/17/75/89/335177589.db2.gz CJFRFTVBBIWHSW-HOCLYGCPSA-N 2 0 313.420 3.745 20 0 DHADRP FC(F)C1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000282125266 334131631 /nfs/dbraw/zinc/13/16/31/334131631.db2.gz BAGJAZNEMGFZTP-UHFFFAOYSA-N 2 0 323.431 3.712 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414859910 334132188 /nfs/dbraw/zinc/13/21/88/334132188.db2.gz UYCMQFHQOVRNAQ-ZYHUDNBSSA-N 2 0 320.786 3.837 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414862334 334133300 /nfs/dbraw/zinc/13/33/00/334133300.db2.gz XIEIEUQUDHLGCY-JCJXWUGKSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414865670 334135874 /nfs/dbraw/zinc/13/58/74/334135874.db2.gz ZLJUUVSXUPXIID-NXMBOHNASA-N 2 0 300.490 3.865 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414874762 334144787 /nfs/dbraw/zinc/14/47/87/334144787.db2.gz JASDVKCUEJKZOX-QZTJIDSGSA-N 2 0 302.462 3.581 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1OC ZINC000286248162 334152443 /nfs/dbraw/zinc/15/24/43/334152443.db2.gz UGTFFVBSHUBCGV-JYJNAYRXSA-N 2 0 320.477 3.536 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414892055 334158521 /nfs/dbraw/zinc/15/85/21/334158521.db2.gz PFXSSCRUVLISQY-DZGCQCFKSA-N 2 0 301.261 3.641 20 0 DHADRP C[C@H](C[NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414907420 334170371 /nfs/dbraw/zinc/17/03/71/334170371.db2.gz QLZSBAVVEOMMBP-CYBMUJFWSA-N 2 0 314.395 3.788 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414908631 334171550 /nfs/dbraw/zinc/17/15/50/334171550.db2.gz QKQVAIIOKHZPCV-HUUCEWRRSA-N 2 0 300.368 3.670 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414931725 334195302 /nfs/dbraw/zinc/19/53/02/334195302.db2.gz BZSRPJHPWBXVHV-XJKCOSOUSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414937959 334200240 /nfs/dbraw/zinc/20/02/40/334200240.db2.gz CYIPDECWECAHQT-MLGOLLRUSA-N 2 0 320.383 3.529 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414943994 334203459 /nfs/dbraw/zinc/20/34/59/334203459.db2.gz OTOCQOMHOFHEQZ-GCJKJVERSA-N 2 0 322.496 3.676 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414944351 334204098 /nfs/dbraw/zinc/20/40/98/334204098.db2.gz GURXLRHHMYJTQN-IOASZLSFSA-N 2 0 314.395 3.757 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414945072 334205356 /nfs/dbraw/zinc/20/53/56/334205356.db2.gz HUBPHSGVJMQZLA-YJBOKZPZSA-N 2 0 310.441 3.592 20 0 DHADRP Cc1cc(N)cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000414956542 334209559 /nfs/dbraw/zinc/20/95/59/334209559.db2.gz APLISWAFTUSLNJ-MGPUTAFESA-N 2 0 315.505 3.710 20 0 DHADRP Cc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC000414959362 334210853 /nfs/dbraw/zinc/21/08/53/334210853.db2.gz FEZYNNPTOHLMRK-CQSZACIVSA-N 2 0 300.368 3.636 20 0 DHADRP Clc1cc2cccnc2c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414960991 334212507 /nfs/dbraw/zinc/21/25/07/334212507.db2.gz BBQCQXBDXHJICG-INIZCTEOSA-N 2 0 303.837 3.510 20 0 DHADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)c1 ZINC000415082080 334272900 /nfs/dbraw/zinc/27/29/00/334272900.db2.gz NUCKFERYKFTQET-FBBABVLZSA-N 2 0 324.468 3.845 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)s2)cc1 ZINC000414964375 334213553 /nfs/dbraw/zinc/21/35/53/334213553.db2.gz VAJBEQALSZHKAX-WMLDXEAASA-N 2 0 300.471 3.811 20 0 DHADRP c1ccc2c(c1)cccc2OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415082278 334273227 /nfs/dbraw/zinc/27/32/27/334273227.db2.gz DBHBUCSUCJTKST-VAMGGRTRSA-N 2 0 324.468 3.729 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415082349 334273258 /nfs/dbraw/zinc/27/32/58/334273258.db2.gz OFSWLIIVMKSSAA-IOASZLSFSA-N 2 0 314.395 3.757 20 0 DHADRP C[C@H](CC[NH2+]C[C@]1(C)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415086293 334273336 /nfs/dbraw/zinc/27/33/36/334273336.db2.gz JKSHVUWSACYESP-CJNGLKHVSA-N 2 0 314.395 3.788 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)C1 ZINC000414992430 334230925 /nfs/dbraw/zinc/23/09/25/334230925.db2.gz KMEXRNZEYNEIJL-KGLIPLIRSA-N 2 0 302.393 3.693 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000414996434 334235034 /nfs/dbraw/zinc/23/50/34/334235034.db2.gz OLRIZNSIKSFWDW-RDJZCZTQSA-N 2 0 302.462 3.615 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000414996438 334235044 /nfs/dbraw/zinc/23/50/44/334235044.db2.gz OLRIZNSIKSFWDW-WBVHZDCISA-N 2 0 302.462 3.615 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000415001785 334240228 /nfs/dbraw/zinc/24/02/28/334240228.db2.gz YIOYJRPOQUJLHN-QCDJMGEHSA-N 2 0 314.404 3.691 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000415003431 334241667 /nfs/dbraw/zinc/24/16/67/334241667.db2.gz XDUIFNMXJMIDBO-GDBMZVCRSA-N 2 0 315.486 3.726 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415004182 334242905 /nfs/dbraw/zinc/24/29/05/334242905.db2.gz XTIKLERVECDVEH-ZYHUDNBSSA-N 2 0 320.786 3.966 20 0 DHADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415087246 334275714 /nfs/dbraw/zinc/27/57/14/334275714.db2.gz SQGLQMCYCGXRAM-KCPJHIHWSA-N 2 0 318.358 3.939 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415009342 334253300 /nfs/dbraw/zinc/25/33/00/334253300.db2.gz TXIOCQUGSPQOCR-UPJWGTAASA-N 2 0 300.899 3.830 20 0 DHADRP COc1ccc2cc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)ccc2c1 ZINC000415022962 334259496 /nfs/dbraw/zinc/25/94/96/334259496.db2.gz JXGJQICIZVJUKA-WKILWMFISA-N 2 0 312.457 3.703 20 0 DHADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000415023249 334259693 /nfs/dbraw/zinc/25/96/93/334259693.db2.gz WJTHRQACJJBGPP-QZTJIDSGSA-N 2 0 310.485 3.946 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000415024592 334259801 /nfs/dbraw/zinc/25/98/01/334259801.db2.gz PFSDNGWSHBSISS-CQSZACIVSA-N 2 0 318.411 3.814 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415027812 334259886 /nfs/dbraw/zinc/25/98/86/334259886.db2.gz BRPKRSQUAOCQQT-INWMFGNUSA-N 2 0 314.395 3.744 20 0 DHADRP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415028619 334260037 /nfs/dbraw/zinc/26/00/37/334260037.db2.gz ZEAMNOHODPOARW-LSDHHAIUSA-N 2 0 309.473 3.525 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000415028627 334260095 /nfs/dbraw/zinc/26/00/95/334260095.db2.gz ZFUUMNITDKHPGB-CYBMUJFWSA-N 2 0 320.383 3.974 20 0 DHADRP Cc1nc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2s1 ZINC000415032439 334260284 /nfs/dbraw/zinc/26/02/84/334260284.db2.gz AMPBYUWAGQPJOU-NVXWUHKLSA-N 2 0 315.486 3.569 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415034209 334260494 /nfs/dbraw/zinc/26/04/94/334260494.db2.gz JQLWKYKXGZDNTO-KOLCDFICSA-N 2 0 306.759 3.576 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415038164 334260669 /nfs/dbraw/zinc/26/06/69/334260669.db2.gz HNQDFIGYUIRGNS-WMZOPIPTSA-N 2 0 304.503 3.763 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000415045333 334261241 /nfs/dbraw/zinc/26/12/41/334261241.db2.gz BNEOUWRIORGMHS-LJQANCHMSA-N 2 0 316.489 3.796 20 0 DHADRP CCOc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000415055853 334261692 /nfs/dbraw/zinc/26/16/92/334261692.db2.gz PCJMWYHKOIBKIJ-GOSISDBHSA-N 2 0 316.420 3.794 20 0 DHADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415054513 334261827 /nfs/dbraw/zinc/26/18/27/334261827.db2.gz NQEUKSJYYCWAPJ-DNVCBOLYSA-N 2 0 300.421 3.827 20 0 DHADRP Cc1oc2ccccc2c1CN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415059897 334262151 /nfs/dbraw/zinc/26/21/51/334262151.db2.gz XUCVHYOFLORUHN-RBUKOAKNSA-N 2 0 306.409 3.586 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000415074660 334266715 /nfs/dbraw/zinc/26/67/15/334266715.db2.gz PRDARFRKVBGPNB-SWLSCSKDSA-N 2 0 300.368 3.541 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1OC(F)F ZINC000415075716 334266922 /nfs/dbraw/zinc/26/69/22/334266922.db2.gz BZQMBTHEXUSVID-PIMMBPRGSA-N 2 0 312.404 3.846 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000514093434 334270046 /nfs/dbraw/zinc/27/00/46/334270046.db2.gz FXARNNNAKHCRNA-JLSDUUJJSA-N 2 0 324.896 3.690 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000415080887 334271369 /nfs/dbraw/zinc/27/13/69/334271369.db2.gz JWYFFQGUVGKXTK-YPMHNXCESA-N 2 0 301.261 3.514 20 0 DHADRP c1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cs1 ZINC000534524380 334278599 /nfs/dbraw/zinc/27/85/99/334278599.db2.gz HJYITTOECHXNOW-UHFFFAOYSA-N 2 0 309.438 3.619 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415110277 334281555 /nfs/dbraw/zinc/28/15/55/334281555.db2.gz MXSFAXOCGGLEFP-LMMKCTJWSA-N 2 0 303.494 3.693 20 0 DHADRP Cc1ccc(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000415112643 334281848 /nfs/dbraw/zinc/28/18/48/334281848.db2.gz CYIGAYHPAJDEOW-PZJWPPBQSA-N 2 0 323.484 3.962 20 0 DHADRP c1ccc(C[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000415113684 334282287 /nfs/dbraw/zinc/28/22/87/334282287.db2.gz FDZNYHSOASPABU-LEWJYISDSA-N 2 0 308.469 3.745 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000415104372 334282850 /nfs/dbraw/zinc/28/28/50/334282850.db2.gz KZPUGTDQDSSTEH-FUJMWEONSA-N 2 0 314.395 3.916 20 0 DHADRP CCCC[C@@H](CC)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415126927 334283671 /nfs/dbraw/zinc/28/36/71/334283671.db2.gz HIFLRTLHFOKKBM-LJQANCHMSA-N 2 0 317.521 3.538 20 0 DHADRP CCCC1CCC(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000415118400 334284039 /nfs/dbraw/zinc/28/40/39/334284039.db2.gz DDZVQOISQYBKAB-TZJYRCSTSA-N 2 0 322.537 3.811 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000415121722 334284580 /nfs/dbraw/zinc/28/45/80/334284580.db2.gz ZJLVZPIJCHMYQZ-CABCVRRESA-N 2 0 309.523 3.709 20 0 DHADRP C[C@H](CC1CCCCC1)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415128139 334285346 /nfs/dbraw/zinc/28/53/46/334285346.db2.gz RTCFRDKBJKHRPJ-LSTHTHJFSA-N 2 0 322.537 3.811 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)CC[N@@H+]1C ZINC000531939366 334298619 /nfs/dbraw/zinc/29/86/19/334298619.db2.gz KAFCZUBWFHKCEZ-MJGOQNOKSA-N 2 0 300.490 3.961 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000531962992 334320876 /nfs/dbraw/zinc/32/08/76/334320876.db2.gz RMONSOGFBCCFDT-HXUWFJFHSA-N 2 0 316.489 3.618 20 0 DHADRP CN(C)[C@]1(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CCSC1 ZINC000534971761 334350973 /nfs/dbraw/zinc/35/09/73/334350973.db2.gz HQEJKFRMQOGBMZ-IRXDYDNUSA-N 2 0 324.921 3.744 20 0 DHADRP CN(C)[C@@]1(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CCSC1 ZINC000534971745 334351022 /nfs/dbraw/zinc/35/10/22/334351022.db2.gz HQEJKFRMQOGBMZ-DLBZAZTESA-N 2 0 324.921 3.744 20 0 DHADRP CN(C)[C@@]1(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CCSC1 ZINC000534971760 334351079 /nfs/dbraw/zinc/35/10/79/334351079.db2.gz HQEJKFRMQOGBMZ-IAGOWNOFSA-N 2 0 324.921 3.744 20 0 DHADRP CC(C)C[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000341266572 334426897 /nfs/dbraw/zinc/42/68/97/334426897.db2.gz KWNDCVPFYWIJFI-INIZCTEOSA-N 2 0 304.478 3.684 20 0 DHADRP Cc1nn(C(C)C)cc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000341413772 334443684 /nfs/dbraw/zinc/44/36/84/334443684.db2.gz YNILGBAUTPRZJF-UHFFFAOYSA-N 2 0 320.525 3.620 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000342265040 334528419 /nfs/dbraw/zinc/52/84/19/334528419.db2.gz JINZFCNWXBZTFH-OAHLLOKOSA-N 2 0 300.393 3.671 20 0 DHADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000425332375 334802598 /nfs/dbraw/zinc/80/25/98/334802598.db2.gz BGOMUFORMDUSAX-ROUUACIJSA-N 2 0 304.503 3.656 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C12CCC2 ZINC000344161086 335226104 /nfs/dbraw/zinc/22/61/04/335226104.db2.gz FVOTWPGNVOVBOT-RBUKOAKNSA-N 2 0 316.489 3.576 20 0 DHADRP CC[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000345195084 335306738 /nfs/dbraw/zinc/30/67/38/335306738.db2.gz YWTBVNRAHSQKCX-HNNXBMFYSA-N 2 0 300.368 3.669 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346060133 335371744 /nfs/dbraw/zinc/37/17/44/335371744.db2.gz IMFHQSFZRUUNSE-HUUCEWRRSA-N 2 0 308.416 3.629 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000346176875 335378004 /nfs/dbraw/zinc/37/80/04/335378004.db2.gz SAXNHEUFIZOMJI-MSOLQXFVSA-N 2 0 310.526 3.636 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000346159243 335383343 /nfs/dbraw/zinc/38/33/43/335383343.db2.gz UYDIFDWWPUHYHJ-FQEVSTJZSA-N 2 0 318.424 3.695 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC12CCCCC2 ZINC000346201457 335389439 /nfs/dbraw/zinc/38/94/39/335389439.db2.gz NPTKFWZLIJVZMC-UHFFFAOYSA-N 2 0 310.445 3.874 20 0 DHADRP Cc1nccn1CC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000346305407 335398205 /nfs/dbraw/zinc/39/82/05/335398205.db2.gz HZYKTNHAPHAYFO-UHFFFAOYSA-N 2 0 320.440 3.597 20 0 DHADRP Cc1ccccc1C[N@H+](CCn1ccnc1)Cc1ccccc1 ZINC000346306586 335398372 /nfs/dbraw/zinc/39/83/72/335398372.db2.gz JDHGGUAZAGZORO-UHFFFAOYSA-N 2 0 305.425 3.894 20 0 DHADRP c1cncc(-c2cccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c2)c1 ZINC000347158871 335474461 /nfs/dbraw/zinc/47/44/61/335474461.db2.gz FSIVBBSPZSHGAP-OAQYLSRUSA-N 2 0 321.468 3.713 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000347931488 335539646 /nfs/dbraw/zinc/53/96/46/335539646.db2.gz YTHBKOBRMDPXAY-UHFFFAOYSA-N 2 0 318.530 3.904 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1F ZINC000102558613 335918112 /nfs/dbraw/zinc/91/81/12/335918112.db2.gz SXDFTTDRTOTXGW-GFCCVEGCSA-N 2 0 308.441 3.794 20 0 DHADRP Cc1ccc([C@@H](CNc2cc[nH+]c3ccccc23)[NH+](C)C)cc1 ZINC000520318241 335963716 /nfs/dbraw/zinc/96/37/16/335963716.db2.gz FKTBVCAIHDFHTI-HXUWFJFHSA-N 2 0 305.425 3.680 20 0 DHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684112 336058028 /nfs/dbraw/zinc/05/80/28/336058028.db2.gz FIYXMRJFRFNKIX-KRWDZBQOSA-N 2 0 319.493 3.565 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)cn1 ZINC000352250336 336206820 /nfs/dbraw/zinc/20/68/20/336206820.db2.gz GVSQHAVPSIBWIC-UHFFFAOYSA-N 2 0 311.473 3.776 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+](CC)CC)cn1 ZINC000352256943 336207402 /nfs/dbraw/zinc/20/74/02/336207402.db2.gz NDUNGYSXNUGNFI-UHFFFAOYSA-N 2 0 311.473 3.776 20 0 DHADRP [NH3+]CCCN(Cc1cc(-c2cccs2)on1)CC1CCCC1 ZINC000352509878 336222358 /nfs/dbraw/zinc/22/23/58/336222358.db2.gz LUKQTHVQWOATQI-UHFFFAOYSA-N 2 0 319.474 3.744 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352553646 336224280 /nfs/dbraw/zinc/22/42/80/336224280.db2.gz CUSGJNHAJVNPBQ-BXWFABGCSA-N 2 0 322.468 3.756 20 0 DHADRP CCC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000532455429 336248234 /nfs/dbraw/zinc/24/82/34/336248234.db2.gz KZMAZZWOZLSZDF-LJQANCHMSA-N 2 0 317.521 3.675 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C2CCCCC2)[C@H](C)C1 ZINC000532468501 336249417 /nfs/dbraw/zinc/24/94/17/336249417.db2.gz WQNHXXIBPSYZPE-GGPKGHCWSA-N 2 0 324.553 3.929 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000580363607 336260270 /nfs/dbraw/zinc/26/02/70/336260270.db2.gz GFRXXENDZVMQMS-OTWHNJEPSA-N 2 0 315.505 3.736 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000526954296 336276480 /nfs/dbraw/zinc/27/64/80/336276480.db2.gz OGIYRADYXDYEGD-XJKCOSOUSA-N 2 0 314.395 3.739 20 0 DHADRP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000192922314 336284414 /nfs/dbraw/zinc/28/44/14/336284414.db2.gz SMCVINXEHTWQCO-QGZVFWFLSA-N 2 0 316.395 3.577 20 0 DHADRP C[NH+](C)[C@H](CNc1ccnc(C(C)(C)C)n1)c1ccc(F)cc1 ZINC000301458218 336308088 /nfs/dbraw/zinc/30/80/88/336308088.db2.gz XTMKTLWXJJTOEL-OAHLLOKOSA-N 2 0 316.424 3.628 20 0 DHADRP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000301602762 336317721 /nfs/dbraw/zinc/31/77/21/336317721.db2.gz KNTUFOWVGFZHFA-CQSZACIVSA-N 2 0 301.409 3.764 20 0 DHADRP Cc1sccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352886262 336330942 /nfs/dbraw/zinc/33/09/42/336330942.db2.gz PNQLEXNNIDNULK-UHFFFAOYSA-N 2 0 315.486 3.800 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000302109860 336348909 /nfs/dbraw/zinc/34/89/09/336348909.db2.gz ZAPLCRWEVMCJQG-APWZRJJASA-N 2 0 309.457 3.772 20 0 DHADRP CN1CC[C@@H](Nc2ccncc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000302802383 336369851 /nfs/dbraw/zinc/36/98/51/336369851.db2.gz DACPTYZTCCQVGM-CVEARBPZSA-N 2 0 323.774 3.871 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000110644033 336397007 /nfs/dbraw/zinc/39/70/07/336397007.db2.gz SRUYKEQGPYRHJA-NEPJUHHUSA-N 2 0 311.267 3.569 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353392381 336415006 /nfs/dbraw/zinc/41/50/06/336415006.db2.gz GJXQONIATXDHAR-UHFFFAOYSA-N 2 0 312.404 3.559 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC000354044709 336456145 /nfs/dbraw/zinc/45/61/45/336456145.db2.gz LZMBSEKYFGUFQH-UHFFFAOYSA-N 2 0 318.505 3.626 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000356107317 336535864 /nfs/dbraw/zinc/53/58/64/336535864.db2.gz GLDFRXJJUMOQKU-IEBWSBKVSA-N 2 0 322.537 3.802 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356842567 336562778 /nfs/dbraw/zinc/56/27/78/336562778.db2.gz KUKZNHMGFMSZEI-ZDUSSCGKSA-N 2 0 309.523 3.957 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000360707872 336719943 /nfs/dbraw/zinc/71/99/43/336719943.db2.gz OHAMPMSFWRXPOQ-IAGOWNOFSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000360820326 336723173 /nfs/dbraw/zinc/72/31/73/336723173.db2.gz JENJIDSPYZCMLY-FQEVSTJZSA-N 2 0 309.457 3.774 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CCCO2 ZINC000361969696 336780410 /nfs/dbraw/zinc/78/04/10/336780410.db2.gz CIMZMWDUZBTUTL-ZHALLVOQSA-N 2 0 316.489 3.980 20 0 DHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000369117870 336858934 /nfs/dbraw/zinc/85/89/34/336858934.db2.gz SFERJHIEGOVHGV-MJGOQNOKSA-N 2 0 313.489 3.572 20 0 DHADRP CC(C)C1CCC(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000375762304 337018947 /nfs/dbraw/zinc/01/89/47/337018947.db2.gz XXWSGBZQNVUYDU-JLAWEPINSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376410704 337032927 /nfs/dbraw/zinc/03/29/27/337032927.db2.gz CFSXKTAPWPNTFW-LMDPOFIKSA-N 2 0 308.510 3.580 20 0 DHADRP c1ccc(-c2cccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)c2)nc1 ZINC000377079843 337046355 /nfs/dbraw/zinc/04/63/55/337046355.db2.gz STFQHVJWRJSDCQ-UHFFFAOYSA-N 2 0 321.468 3.713 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3occc32)[C@@H]1c1ccccc1 ZINC000377356751 337051050 /nfs/dbraw/zinc/05/10/50/337051050.db2.gz CPOJXEAFWUOJQV-POAQFYNOSA-N 2 0 310.441 3.940 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CC(c3ccccn3)C2)C1 ZINC000377619079 337056595 /nfs/dbraw/zinc/05/65/95/337056595.db2.gz DLQFAYOSHWJONW-YYZRRKBYSA-N 2 0 315.505 3.675 20 0 DHADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC000377766732 337060481 /nfs/dbraw/zinc/06/04/81/337060481.db2.gz ZUGOYYOBCPVQIW-QFBILLFUSA-N 2 0 316.395 3.747 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CCC(C(F)(F)F)CC2)C1 ZINC000377839041 337062314 /nfs/dbraw/zinc/06/23/14/337062314.db2.gz FRCLTZVXFKRDMY-GYTBAZASSA-N 2 0 318.427 3.771 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000469047848 337080420 /nfs/dbraw/zinc/08/04/20/337080420.db2.gz ONZCVBIFHVLZTF-XJKSGUPXSA-N 2 0 314.395 3.568 20 0 DHADRP C=Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000194211129 337082758 /nfs/dbraw/zinc/08/27/58/337082758.db2.gz PQIPGZWRSQWSBL-KRWDZBQOSA-N 2 0 324.472 3.505 20 0 DHADRP c1cc2cc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000393843202 337094046 /nfs/dbraw/zinc/09/40/46/337094046.db2.gz APPARMIYSIZUOL-LJQANCHMSA-N 2 0 319.452 3.780 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Nc1ccccc1 ZINC000582563081 337109676 /nfs/dbraw/zinc/10/96/76/337109676.db2.gz WIZSCXKWYASTCQ-YRPNKDGESA-N 2 0 315.505 3.586 20 0 DHADRP [NH3+]CCC1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000582611345 337113767 /nfs/dbraw/zinc/11/37/67/337113767.db2.gz BQNPBJUXPXWHEA-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000582725965 337125948 /nfs/dbraw/zinc/12/59/48/337125948.db2.gz IGOMXFHQJQGOGO-HQRMLTQVSA-N 2 0 324.468 3.796 20 0 DHADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000178186104 337161222 /nfs/dbraw/zinc/16/12/22/337161222.db2.gz ZLPHXTGJHDVQKT-LSDHHAIUSA-N 2 0 315.486 3.803 20 0 DHADRP Brc1cccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178958062 337166586 /nfs/dbraw/zinc/16/65/86/337166586.db2.gz MZWUEFZGEXSSRS-MRXNPFEDSA-N 2 0 323.278 3.586 20 0 DHADRP Clc1ccc2[nH]cc(CC[NH2+]Cc3cccc4nccn43)c2c1 ZINC000179428355 337169378 /nfs/dbraw/zinc/16/93/78/337169378.db2.gz IYXFKPYRNZVLAN-UHFFFAOYSA-N 2 0 324.815 3.801 20 0 DHADRP c1cn(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000321024686 337175977 /nfs/dbraw/zinc/17/59/77/337175977.db2.gz VNRQSODWNLNUPJ-IPMKNSEASA-N 2 0 311.473 3.542 20 0 DHADRP CCn1cc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000181665218 337183675 /nfs/dbraw/zinc/18/36/75/337183675.db2.gz SATDDAOSCIIOOU-IVMQYODDSA-N 2 0 318.509 3.597 20 0 DHADRP CN(Cc1cccnc1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000182031217 337185875 /nfs/dbraw/zinc/18/58/75/337185875.db2.gz GQDCJMLKZCNRJJ-UHFFFAOYSA-N 2 0 311.473 3.672 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000182762843 337189737 /nfs/dbraw/zinc/18/97/37/337189737.db2.gz PDBYSDBYQIYYAH-UHFFFAOYSA-N 2 0 307.482 3.625 20 0 DHADRP COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000582864845 337209029 /nfs/dbraw/zinc/20/90/29/337209029.db2.gz BPLGVGKWEAQYQX-UHFFFAOYSA-N 2 0 316.489 3.890 20 0 DHADRP CC(C)CSCCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000582978627 337222404 /nfs/dbraw/zinc/22/24/04/337222404.db2.gz OAYIDMQMVZJPPV-QZTJIDSGSA-N 2 0 306.519 3.801 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000189258013 337278118 /nfs/dbraw/zinc/27/81/18/337278118.db2.gz FUXXSWNJLUPSKZ-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000584437478 337325235 /nfs/dbraw/zinc/32/52/35/337325235.db2.gz KSTSIVBVSHGJEU-APWZRJJASA-N 2 0 318.480 3.811 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000584463780 337343422 /nfs/dbraw/zinc/34/34/22/337343422.db2.gz VDCWNICKZKQAAQ-CYBMUJFWSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000520792571 337390846 /nfs/dbraw/zinc/39/08/46/337390846.db2.gz ALVGEHYLJBXQNJ-ORAYPTAESA-N 2 0 313.420 3.716 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000126401248 337416625 /nfs/dbraw/zinc/41/66/25/337416625.db2.gz XGASUTTYAGYLBC-MRXNPFEDSA-N 2 0 309.457 3.741 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000045662933 337421595 /nfs/dbraw/zinc/42/15/95/337421595.db2.gz YBXJNKJNIZGFMX-OAHLLOKOSA-N 2 0 313.283 3.832 20 0 DHADRP CCOc1cccc(Cl)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000565159951 337470831 /nfs/dbraw/zinc/47/08/31/337470831.db2.gz AUIWQROVPLZEGA-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP C[C@H](CCNC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000419689770 337491365 /nfs/dbraw/zinc/49/13/65/337491365.db2.gz UHZCSPVVBWILRK-GOSISDBHSA-N 2 0 321.553 3.638 20 0 DHADRP CC(C)([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420310515 337499108 /nfs/dbraw/zinc/49/91/08/337499108.db2.gz VCXDVSYYQZWMEE-LLVKDONJSA-N 2 0 301.261 3.818 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420346383 337499521 /nfs/dbraw/zinc/49/95/21/337499521.db2.gz WSTKWQRJZYBHTO-UHFFFAOYSA-N 2 0 304.437 3.832 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000261555136 337605326 /nfs/dbraw/zinc/60/53/26/337605326.db2.gz UTEIQVGUJDPMNB-UHFFFAOYSA-N 2 0 310.441 3.625 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000262023057 337614407 /nfs/dbraw/zinc/61/44/07/337614407.db2.gz YRCZVMCDNCUYPO-UHFFFAOYSA-N 2 0 316.489 3.636 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422700042 337683508 /nfs/dbraw/zinc/68/35/08/337683508.db2.gz FXVBWONWWZSOSX-FXRFXEHHSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422726618 337684298 /nfs/dbraw/zinc/68/42/98/337684298.db2.gz FOFJIGMHICBYAU-SGMGOOAPSA-N 2 0 300.368 3.744 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@@H](C)CCCC[NH3+])CCCC1 ZINC000422728650 337684409 /nfs/dbraw/zinc/68/44/09/337684409.db2.gz AMEKOPZISGLVHW-INIZCTEOSA-N 2 0 304.478 3.614 20 0 DHADRP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)s1 ZINC000422761757 337685473 /nfs/dbraw/zinc/68/54/73/337685473.db2.gz MEZGZOQXGGARNX-AAEUAGOBSA-N 2 0 303.475 3.500 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000422772667 337685875 /nfs/dbraw/zinc/68/58/75/337685875.db2.gz XLQNKSRDJYHYBA-CDXJDZJCSA-N 2 0 323.484 3.911 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)C1 ZINC000422774728 337685977 /nfs/dbraw/zinc/68/59/77/337685977.db2.gz YGLREJQTRGWSLA-YPOJHYBQSA-N 2 0 314.473 3.657 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422780220 337686201 /nfs/dbraw/zinc/68/62/01/337686201.db2.gz JXUCTLWYACZWGG-KBPBESRZSA-N 2 0 313.445 3.659 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422806354 337687542 /nfs/dbraw/zinc/68/75/42/337687542.db2.gz KMMIXODREDRKFB-ARFHVFGLSA-N 2 0 308.466 3.558 20 0 DHADRP Cc1cccc(Oc2cc(C[NH2+][C@@H](C)CCC[NH3+])ccn2)c1C ZINC000422807593 337687570 /nfs/dbraw/zinc/68/75/70/337687570.db2.gz MUYZBIOEJCUKND-HNNXBMFYSA-N 2 0 313.445 3.708 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000422808357 337687600 /nfs/dbraw/zinc/68/76/00/337687600.db2.gz KWSLRPGJYWPKHD-QWHCGFSZSA-N 2 0 302.384 3.916 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)s1 ZINC000422808210 337687723 /nfs/dbraw/zinc/68/77/23/337687723.db2.gz NVHFTVPOFPMKMI-WCQYABFASA-N 2 0 303.475 3.939 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])s2)cc1 ZINC000422829865 337688277 /nfs/dbraw/zinc/68/82/77/337688277.db2.gz VBXOKOQEALZMKU-WMLDXEAASA-N 2 0 316.470 3.641 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422827600 337688335 /nfs/dbraw/zinc/68/83/35/337688335.db2.gz SJJUAXMRJUQOSN-IEBWSBKVSA-N 2 0 321.553 3.684 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422883100 337689817 /nfs/dbraw/zinc/68/98/17/337689817.db2.gz BMFIJLORYOOHKI-INIZCTEOSA-N 2 0 300.446 3.716 20 0 DHADRP Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000422890224 337690294 /nfs/dbraw/zinc/69/02/94/337690294.db2.gz ROGCMNVVONCLSZ-JKSUJKDBSA-N 2 0 311.473 3.747 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422888565 337690325 /nfs/dbraw/zinc/69/03/25/337690325.db2.gz NIHMPVAJKCSRNT-OSAQELSMSA-N 2 0 315.288 3.902 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000422931615 337692129 /nfs/dbraw/zinc/69/21/29/337692129.db2.gz CASTYVIBTQMGQV-ZDUSSCGKSA-N 2 0 304.384 3.771 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422901629 337693318 /nfs/dbraw/zinc/69/33/18/337693318.db2.gz SJGWCQQOWYZIKU-IPMKNSEASA-N 2 0 316.464 3.758 20 0 DHADRP Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422902133 337693419 /nfs/dbraw/zinc/69/34/19/337693419.db2.gz TUGXUNZFVCZXHX-XUVXKRRUSA-N 2 0 316.489 3.664 20 0 DHADRP Fc1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422988450 337693771 /nfs/dbraw/zinc/69/37/71/337693771.db2.gz KNBDAKQCFJNTND-CEXWTWQISA-N 2 0 316.464 3.659 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949567 337694437 /nfs/dbraw/zinc/69/44/37/337694437.db2.gz UICNOZPGSDDEMI-UFOWKFPKSA-N 2 0 320.480 3.999 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2c1cccc2Br ZINC000422955624 337694833 /nfs/dbraw/zinc/69/48/33/337694833.db2.gz JUVUJIDDNRLWHK-ABAIWWIYSA-N 2 0 311.267 3.544 20 0 DHADRP c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422962145 337695107 /nfs/dbraw/zinc/69/51/07/337695107.db2.gz DZSVELHIXATYEJ-ABSDTBQOSA-N 2 0 324.424 3.503 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423010535 337695599 /nfs/dbraw/zinc/69/55/99/337695599.db2.gz GTOAIGMEKZOKAD-LBPRGKRZSA-N 2 0 323.893 3.723 20 0 DHADRP Cn1cc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c2ccc(Cl)cc21 ZINC000423058034 337697777 /nfs/dbraw/zinc/69/77/77/337697777.db2.gz BJFWTXZFECUNHI-DLBZAZTESA-N 2 0 319.880 3.624 20 0 DHADRP CCSc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000423067320 337698177 /nfs/dbraw/zinc/69/81/77/337698177.db2.gz YXVJEGVGRIWGAH-YESZJQIVSA-N 2 0 319.518 3.594 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423072103 337698249 /nfs/dbraw/zinc/69/82/49/337698249.db2.gz GTIDTNCXEJRHMZ-AWEZNQCLSA-N 2 0 312.461 3.521 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113133 337700143 /nfs/dbraw/zinc/70/01/43/337700143.db2.gz YMVJAIXVERKLRO-GXTWGEPZSA-N 2 0 300.899 3.702 20 0 DHADRP CC(C)(C)CCOc1cnccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423120258 337700441 /nfs/dbraw/zinc/70/04/41/337700441.db2.gz GONXQZCSNTYPOM-UHFFFAOYSA-N 2 0 319.493 3.504 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423128585 337700758 /nfs/dbraw/zinc/70/07/58/337700758.db2.gz LDJBAYXZZRCTIM-XOBRGWDASA-N 2 0 309.457 3.693 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138296 337701235 /nfs/dbraw/zinc/70/12/35/337701235.db2.gz XPAMXXOVNAAKPC-DDUZABMNSA-N 2 0 313.420 3.585 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423165437 337702072 /nfs/dbraw/zinc/70/20/72/337702072.db2.gz QAEGNYYEQGUNAG-SZMVWBNQSA-N 2 0 324.896 3.710 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000423211924 337704419 /nfs/dbraw/zinc/70/44/19/337704419.db2.gz HWFLJELJZSJBGF-IHRRRGAJSA-N 2 0 312.404 3.635 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423224153 337705562 /nfs/dbraw/zinc/70/55/62/337705562.db2.gz IJPMNCSKMFWKRT-QWRGUYRKSA-N 2 0 307.438 3.646 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423251349 337707409 /nfs/dbraw/zinc/70/74/09/337707409.db2.gz RUSZSWQMXIEHSR-UKRRQHHQSA-N 2 0 315.486 3.769 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250430 337707444 /nfs/dbraw/zinc/70/74/44/337707444.db2.gz QEPGHNRUSIAHQS-CVEARBPZSA-N 2 0 313.489 3.813 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423256766 337707687 /nfs/dbraw/zinc/70/76/87/337707687.db2.gz FXHWPJCTBZIXKJ-RDJZCZTQSA-N 2 0 304.503 3.820 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423255296 337707760 /nfs/dbraw/zinc/70/77/60/337707760.db2.gz BONCRCFJUPHRKN-DYESRHJHSA-N 2 0 324.468 3.764 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423260060 337707796 /nfs/dbraw/zinc/70/77/96/337707796.db2.gz PHOFJCAEQSJFMY-CJNGLKHVSA-N 2 0 308.853 3.533 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423265645 337708159 /nfs/dbraw/zinc/70/81/59/337708159.db2.gz CNWJXMMQMWGNLJ-SJORKVTESA-N 2 0 312.457 3.772 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1SC ZINC000423274429 337708904 /nfs/dbraw/zinc/70/89/04/337708904.db2.gz KLPZPYZZCIPBCW-NWANDNLSSA-N 2 0 308.491 3.585 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423301771 337711052 /nfs/dbraw/zinc/71/10/52/337711052.db2.gz GJLASLTZOCEDSP-YVEFUNNKSA-N 2 0 306.812 3.753 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423308891 337711367 /nfs/dbraw/zinc/71/13/67/337711367.db2.gz PCSIOKRGALBBKN-WBMJQRKESA-N 2 0 308.878 3.870 20 0 DHADRP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423316356 337711686 /nfs/dbraw/zinc/71/16/86/337711686.db2.gz ANGBBMAEYHBJDP-PBHICJAKSA-N 2 0 312.404 3.718 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423324127 337712012 /nfs/dbraw/zinc/71/20/12/337712012.db2.gz IKQUSNVAODVYHA-GFCCVEGCSA-N 2 0 309.523 3.789 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000423331074 337712425 /nfs/dbraw/zinc/71/24/25/337712425.db2.gz ODHSRZFPVXSXHM-MRXNPFEDSA-N 2 0 309.457 3.789 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423338041 337712726 /nfs/dbraw/zinc/71/27/26/337712726.db2.gz AQLRWCJZXXVUKG-SJLPKXTDSA-N 2 0 304.865 3.876 20 0 DHADRP CC1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000423337833 337712751 /nfs/dbraw/zinc/71/27/51/337712751.db2.gz UETNAOAAHVCNIQ-HNNXBMFYSA-N 2 0 308.853 3.533 20 0 DHADRP Fc1ccccc1C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1 ZINC000423340745 337712946 /nfs/dbraw/zinc/71/29/46/337712946.db2.gz CCWHKUMJJUBULG-HXUWFJFHSA-N 2 0 310.416 3.619 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1=CC[NH2+]CC1 ZINC000423343519 337712954 /nfs/dbraw/zinc/71/29/54/337712954.db2.gz LXPMIWIYIHIECW-OAHLLOKOSA-N 2 0 313.272 3.824 20 0 DHADRP CC1(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423341870 337713058 /nfs/dbraw/zinc/71/30/58/337713058.db2.gz WYLINCYZTBUTGL-RDJZCZTQSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]CC[C@H]3CCC[NH2+]3)cs2)cs1 ZINC000423354708 337713950 /nfs/dbraw/zinc/71/39/50/337713950.db2.gz DHIUUYMCQPFNQS-SMDDNHRTSA-N 2 0 321.515 3.973 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000423357128 337714193 /nfs/dbraw/zinc/71/41/93/337714193.db2.gz LOEGMYHAEFPKMZ-DZGCQCFKSA-N 2 0 310.869 3.920 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)sc1Br ZINC000423364365 337714724 /nfs/dbraw/zinc/71/47/24/337714724.db2.gz VQFRLHUAEIZHLO-GHMZBOCLSA-N 2 0 317.296 3.612 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423400357 337715614 /nfs/dbraw/zinc/71/56/14/337715614.db2.gz QGNYGMMPQPVOLX-PXFZGMFXSA-N 2 0 316.489 3.550 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(F)c(F)c(F)c1 ZINC000423420674 337716733 /nfs/dbraw/zinc/71/67/33/337716733.db2.gz JNUVRLNVEXMQEA-SRVKXCTJSA-N 2 0 300.368 3.520 20 0 DHADRP FC(F)(F)c1cccc(C2CCC([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000423419107 337716736 /nfs/dbraw/zinc/71/67/36/337716736.db2.gz AKHLULUWDSPAGT-VHSAVVPNSA-N 2 0 324.390 3.539 20 0 DHADRP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386668 337717996 /nfs/dbraw/zinc/71/79/96/337717996.db2.gz MHRUPGDNYNDIEQ-UXHICEINSA-N 2 0 310.416 3.855 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000423447237 337719818 /nfs/dbraw/zinc/71/98/18/337719818.db2.gz UACJCFONLNBQIQ-NUEKZKHPSA-N 2 0 322.905 3.855 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423456507 337720452 /nfs/dbraw/zinc/72/04/52/337720452.db2.gz NUZKNGFKVXJLAO-VXGBXAGGSA-N 2 0 307.438 3.727 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423459855 337720505 /nfs/dbraw/zinc/72/05/05/337720505.db2.gz RLKHABLGFWHEDZ-KSSFIOAISA-N 2 0 317.864 3.736 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000423462846 337720620 /nfs/dbraw/zinc/72/06/20/337720620.db2.gz PPCVODRYKVKLEW-YNEHKIRRSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423461575 337720683 /nfs/dbraw/zinc/72/06/83/337720683.db2.gz SXRKWDPTBBFMOG-UTUOFQBUSA-N 2 0 319.276 3.866 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423469735 337721008 /nfs/dbraw/zinc/72/10/08/337721008.db2.gz KKOTZRZXNRKAJX-JKIFEVAISA-N 2 0 322.880 3.969 20 0 DHADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423469999 337721160 /nfs/dbraw/zinc/72/11/60/337721160.db2.gz ZCPCIMPYXQDKQY-UONOGXRCSA-N 2 0 317.502 3.820 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423475888 337721515 /nfs/dbraw/zinc/72/15/15/337721515.db2.gz IEVWHNOKYUYEAI-WMZOPIPTSA-N 2 0 306.881 3.783 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000423494950 337722780 /nfs/dbraw/zinc/72/27/80/337722780.db2.gz SXRGWYDUHZPESY-CQDKDKBSSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423487970 337722446 /nfs/dbraw/zinc/72/24/46/337722446.db2.gz VBKONSAJQGUHTF-OCCSQVGLSA-N 2 0 309.523 3.932 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCCO2 ZINC000423492122 337722717 /nfs/dbraw/zinc/72/27/17/337722717.db2.gz LVQGWUHNOJXRNJ-DVOMOZLQSA-N 2 0 308.853 3.579 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1nc2ccccc2n1C ZINC000423497273 337723001 /nfs/dbraw/zinc/72/30/01/337723001.db2.gz GIHAQSHBVFGHJN-NVXWUHKLSA-N 2 0 322.456 3.704 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423513909 337724200 /nfs/dbraw/zinc/72/42/00/337724200.db2.gz VSVURWCYKIDVJJ-MAUKXSAKSA-N 2 0 300.450 3.595 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccsc2S1 ZINC000423542187 337725207 /nfs/dbraw/zinc/72/52/07/337725207.db2.gz LXKKDWSJKNDNQE-BAYHKCFCSA-N 2 0 308.516 3.651 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423541670 337725235 /nfs/dbraw/zinc/72/52/35/337725235.db2.gz LHGLRIOHHACTON-GRRYLFLMSA-N 2 0 306.881 3.810 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423545095 337725291 /nfs/dbraw/zinc/72/52/91/337725291.db2.gz XNPMZFAPIHUSQW-MRXNPFEDSA-N 2 0 323.440 3.834 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423547262 337725340 /nfs/dbraw/zinc/72/53/40/337725340.db2.gz PRMMGAQOSAAXLX-WZGPROSRSA-N 2 0 316.489 3.760 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423553168 337725487 /nfs/dbraw/zinc/72/54/87/337725487.db2.gz VSYRENYNHWVMJZ-YWTNHNAXSA-N 2 0 300.490 3.721 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(-c2ccncc2)c1 ZINC000423553879 337725499 /nfs/dbraw/zinc/72/54/99/337725499.db2.gz WGBAHTWUIXBUJL-JWOSDPRPSA-N 2 0 321.468 3.787 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000536847266 337744063 /nfs/dbraw/zinc/74/40/63/337744063.db2.gz VJGWUYZLQJYKDA-NEWSRXKRSA-N 2 0 320.521 3.721 20 0 DHADRP COCCC1CC[NH+](C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000527937425 337773128 /nfs/dbraw/zinc/77/31/28/337773128.db2.gz URQMHBPHXFONQP-PXNSSMCTSA-N 2 0 322.537 3.778 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC000536875521 337791129 /nfs/dbraw/zinc/79/11/29/337791129.db2.gz HNAHGRDXBGRIFH-FQEVSTJZSA-N 2 0 317.521 3.613 20 0 DHADRP CCC(CC)[C@@H](C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)[NH+]1CCCC1 ZINC000424269676 337813775 /nfs/dbraw/zinc/81/37/75/337813775.db2.gz PNEXKZFOCHKGKO-UJMXGEILSA-N 2 0 322.537 3.680 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000057993942 337866465 /nfs/dbraw/zinc/86/64/65/337866465.db2.gz HOAGNFDWIJGZHX-ZDUSSCGKSA-N 2 0 300.368 3.527 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000120688172 337879352 /nfs/dbraw/zinc/87/93/52/337879352.db2.gz GQYAKYBMRXGUJB-HXUWFJFHSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C[C@@H](C)O1 ZINC000537658121 337957096 /nfs/dbraw/zinc/95/70/96/337957096.db2.gz ARBMLBUCSKKTIY-QWFCFKBJSA-N 2 0 320.521 3.554 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000315099915 337980760 /nfs/dbraw/zinc/98/07/60/337980760.db2.gz NVXCYVZIDIVENF-HUUCEWRRSA-N 2 0 308.441 3.607 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000515176435 337981733 /nfs/dbraw/zinc/98/17/33/337981733.db2.gz OANBKLIKPIJCEB-UHFFFAOYSA-N 2 0 312.310 3.593 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000515251212 337983199 /nfs/dbraw/zinc/98/31/99/337983199.db2.gz CVYQFWLIXGYLHC-PKOBYXMFSA-N 2 0 310.526 3.636 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000515593905 337993643 /nfs/dbraw/zinc/99/36/43/337993643.db2.gz FPWRPSKEJGAZFF-YRWFTTLQSA-N 2 0 316.489 3.718 20 0 DHADRP Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894377 338018543 /nfs/dbraw/zinc/01/85/43/338018543.db2.gz GAYNOVUEFAIHFV-OAHLLOKOSA-N 2 0 313.445 3.609 20 0 DHADRP C[C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C[NH+](C)C ZINC000425925386 338018988 /nfs/dbraw/zinc/01/89/88/338018988.db2.gz RBOUDLNGNOZXEL-BLLLJJGKSA-N 2 0 314.395 3.944 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000426314413 338026450 /nfs/dbraw/zinc/02/64/50/338026450.db2.gz XEZHBKDKIFWQQD-YQVWRLOYSA-N 2 0 302.506 3.899 20 0 DHADRP Cc1nc2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2s1 ZINC000426411670 338031052 /nfs/dbraw/zinc/03/10/52/338031052.db2.gz MWFPTIUWNLQSHX-RDJZCZTQSA-N 2 0 315.486 3.521 20 0 DHADRP CC(C)OC1CC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000428256061 338044748 /nfs/dbraw/zinc/04/47/48/338044748.db2.gz IZYHYQFKCKZGGT-UHFFFAOYSA-N 2 0 316.489 3.718 20 0 DHADRP CC(C)Sc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429038020 338069551 /nfs/dbraw/zinc/06/95/51/338069551.db2.gz VUWSFPMHFXNYDN-GOSISDBHSA-N 2 0 304.503 3.715 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429372819 338078822 /nfs/dbraw/zinc/07/88/22/338078822.db2.gz OVYAVYCIBBIEJZ-QGZVFWFLSA-N 2 0 318.505 3.966 20 0 DHADRP C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000429432275 338080825 /nfs/dbraw/zinc/08/08/25/338080825.db2.gz UKEAUMIYLKYJLW-YJBOKZPZSA-N 2 0 302.462 3.610 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CC2(OC)CCC2)c1 ZINC000429538761 338083175 /nfs/dbraw/zinc/08/31/75/338083175.db2.gz PSVBJZSUCROGIS-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP CCC(CC)(C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000430151487 338099368 /nfs/dbraw/zinc/09/93/68/338099368.db2.gz UUJBQRKVYPAKQD-IEBWSBKVSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000430585949 338109280 /nfs/dbraw/zinc/10/92/80/338109280.db2.gz UIRCIGYRCKXNOJ-UONOGXRCSA-N 2 0 312.910 3.881 20 0 DHADRP CC[NH2+]CC1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000430584538 338109338 /nfs/dbraw/zinc/10/93/38/338109338.db2.gz OWRFHFPTNFYXSI-HNNXBMFYSA-N 2 0 313.445 3.724 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000430643286 338110225 /nfs/dbraw/zinc/11/02/25/338110225.db2.gz WXKHMPXSQPNTCE-QGZVFWFLSA-N 2 0 312.457 3.540 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSCc2ccccc2)[C@@H](C)C1 ZINC000430750964 338113690 /nfs/dbraw/zinc/11/36/90/338113690.db2.gz QYAJPXPKBYIGMD-FUHWJXTLSA-N 2 0 306.519 3.582 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSCc2ccccc2)[C@@H](C)C1 ZINC000430750966 338113719 /nfs/dbraw/zinc/11/37/19/338113719.db2.gz QYAJPXPKBYIGMD-WMZOPIPTSA-N 2 0 306.519 3.582 20 0 DHADRP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000430753799 338113839 /nfs/dbraw/zinc/11/38/39/338113839.db2.gz LPLPSTYAPMOXKZ-CQSZACIVSA-N 2 0 300.437 3.809 20 0 DHADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000432408044 338155133 /nfs/dbraw/zinc/15/51/33/338155133.db2.gz RLNFUUYHWHKABF-PKOBYXMFSA-N 2 0 304.478 3.537 20 0 DHADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCc3ccccc32)CCCO1 ZINC000432416927 338155585 /nfs/dbraw/zinc/15/55/85/338155585.db2.gz STPYCYQGOKHQGP-FXAWDEMLSA-N 2 0 316.489 3.545 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)s1 ZINC000432418694 338155691 /nfs/dbraw/zinc/15/56/91/338155691.db2.gz UPUWNBAFXALZJD-ZFWWWQNUSA-N 2 0 310.507 3.516 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753575 338166573 /nfs/dbraw/zinc/16/65/73/338166573.db2.gz VGYCATMMDSQIEV-WFASDCNBSA-N 2 0 321.465 3.598 20 0 DHADRP C[C@@H]1C[C@@H](N(C)Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000432754719 338166753 /nfs/dbraw/zinc/16/67/53/338166753.db2.gz NHJGZXWKBFXKAV-MNOVXSKESA-N 2 0 306.397 3.681 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000432797171 338168345 /nfs/dbraw/zinc/16/83/45/338168345.db2.gz DCETXPQXBSOUDS-FQEVSTJZSA-N 2 0 309.457 3.665 20 0 DHADRP c1csc(C[N@@H+](CC2CCCCC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435420068 338239584 /nfs/dbraw/zinc/23/95/84/338239584.db2.gz BBAIEWXVRHCGBV-INIZCTEOSA-N 2 0 319.518 3.668 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436269752 338264598 /nfs/dbraw/zinc/26/45/98/338264598.db2.gz MALKQNBTDOSBFI-HNNXBMFYSA-N 2 0 317.452 3.909 20 0 DHADRP C[NH+](C)CC1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CCCC1 ZINC000436410201 338271394 /nfs/dbraw/zinc/27/13/94/338271394.db2.gz LRVANQBQGDLLML-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436471094 338273236 /nfs/dbraw/zinc/27/32/36/338273236.db2.gz QWTDBJFDKVMRPM-QRWLVFNGSA-N 2 0 307.441 3.574 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000437774529 338320726 /nfs/dbraw/zinc/32/07/26/338320726.db2.gz LKVBFBCHXNCVAP-SJORKVTESA-N 2 0 306.469 3.714 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000437785510 338321390 /nfs/dbraw/zinc/32/13/90/338321390.db2.gz GECSEEYPZOYTEH-CQSZACIVSA-N 2 0 318.411 3.747 20 0 DHADRP Cc1ccc2cc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)ccc2n1 ZINC000438097845 338331317 /nfs/dbraw/zinc/33/13/17/338331317.db2.gz UQJPRDXDXXHYME-IBGZPJMESA-N 2 0 323.484 3.707 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438117483 338332953 /nfs/dbraw/zinc/33/29/53/338332953.db2.gz VSABBBDNRLSJLJ-UXHICEINSA-N 2 0 300.490 3.770 20 0 DHADRP CCCC[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438206024 338336625 /nfs/dbraw/zinc/33/66/25/338336625.db2.gz MWJGVAGFHWQOFD-UHFFFAOYSA-N 2 0 304.478 3.700 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438221792 338337044 /nfs/dbraw/zinc/33/70/44/338337044.db2.gz XRUWOOLKEJNXAY-HOJAQTOUSA-N 2 0 300.490 3.818 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442658144 338426936 /nfs/dbraw/zinc/42/69/36/338426936.db2.gz YWFARBPTXRUPHW-CVEARBPZSA-N 2 0 313.489 3.735 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442720868 338429048 /nfs/dbraw/zinc/42/90/48/338429048.db2.gz SATCISQIFHVHBG-UHFFFAOYSA-N 2 0 302.453 3.912 20 0 DHADRP COc1ccc2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000446887512 338539634 /nfs/dbraw/zinc/53/96/34/338539634.db2.gz UXORVBFVMFENAW-UHFFFAOYSA-N 2 0 324.468 3.812 20 0 DHADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446889311 338539666 /nfs/dbraw/zinc/53/96/66/338539666.db2.gz VIXRKZXDWSNXAL-CTNGQTDRSA-N 2 0 312.501 3.862 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000449103440 338593667 /nfs/dbraw/zinc/59/36/67/338593667.db2.gz ATKGYZKPJHYWLO-AEFFLSMTSA-N 2 0 308.897 3.983 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000449133342 338596023 /nfs/dbraw/zinc/59/60/23/338596023.db2.gz DHPRVUNHALZSRE-FUHIMQAGSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000449205222 338602279 /nfs/dbraw/zinc/60/22/79/338602279.db2.gz NLIDBQNBGFRPCK-WRSVWVKZSA-N 2 0 310.432 3.778 20 0 DHADRP FC1(F)CC(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000450609498 338693668 /nfs/dbraw/zinc/69/36/68/338693668.db2.gz KZYCTAAKSDRTGI-UHFFFAOYSA-N 2 0 300.437 3.620 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000450657357 338696465 /nfs/dbraw/zinc/69/64/65/338696465.db2.gz LHZHOVJFGWUVBT-UHFFFAOYSA-N 2 0 316.489 3.703 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c2nccn21 ZINC000453166937 338801854 /nfs/dbraw/zinc/80/18/54/338801854.db2.gz HSPCATDQPCYCBL-FCCDEINASA-N 2 0 316.493 3.522 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000455638868 338901661 /nfs/dbraw/zinc/90/16/61/338901661.db2.gz LTZCLCPGAYLXQI-GOSISDBHSA-N 2 0 314.498 3.930 20 0 DHADRP C[C@@]1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCc2ccccc21 ZINC000459488946 339032348 /nfs/dbraw/zinc/03/23/48/339032348.db2.gz WQIWOUQWDOUQJY-OAQYLSRUSA-N 2 0 321.468 3.892 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000459537479 339034647 /nfs/dbraw/zinc/03/46/47/339034647.db2.gz YDSFFNRNFRFLED-IXDOHACOSA-N 2 0 301.478 3.712 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000459561113 339035907 /nfs/dbraw/zinc/03/59/07/339035907.db2.gz MHEOVFFWQRZMLM-ULQDDVLXSA-N 2 0 301.478 3.855 20 0 DHADRP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459577767 339036896 /nfs/dbraw/zinc/03/68/96/339036896.db2.gz WJTFBONWBHXBQQ-SJORKVTESA-N 2 0 301.478 3.856 20 0 DHADRP c1cc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CCCCC3)CC2)cc[nH+]1 ZINC000459584637 339037217 /nfs/dbraw/zinc/03/72/17/339037217.db2.gz HTGVRAMAFTYRLF-PXNSSMCTSA-N 2 0 313.489 3.856 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459648135 339040196 /nfs/dbraw/zinc/04/01/96/339040196.db2.gz BNEJWJXNNWFDAT-ZDUSSCGKSA-N 2 0 315.367 3.723 20 0 DHADRP Clc1cccc(CC2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000459725351 339044592 /nfs/dbraw/zinc/04/45/92/339044592.db2.gz ZTRFSZXISHDILK-ZWKOTPCHSA-N 2 0 318.892 3.879 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459755000 339046397 /nfs/dbraw/zinc/04/63/97/339046397.db2.gz JNDLYKKXLKKGKI-OFCAXSSNSA-N 2 0 312.501 3.860 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459754996 339046459 /nfs/dbraw/zinc/04/64/59/339046459.db2.gz JNDLYKKXLKKGKI-FRTACKCFSA-N 2 0 312.501 3.860 20 0 DHADRP CC(C)COc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459780912 339048198 /nfs/dbraw/zinc/04/81/98/339048198.db2.gz LVVJMPBJKGGYEP-QGZVFWFLSA-N 2 0 304.478 3.543 20 0 DHADRP COc1cc2ccccc2cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459790092 339048721 /nfs/dbraw/zinc/04/87/21/339048721.db2.gz QTAKXKBDVKUBTE-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000459792596 339048761 /nfs/dbraw/zinc/04/87/61/339048761.db2.gz SQZUZYFOEIFIJW-MNEFBYGVSA-N 2 0 304.453 3.783 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000459792594 339048777 /nfs/dbraw/zinc/04/87/77/339048777.db2.gz SQZUZYFOEIFIJW-AYOQOUSVSA-N 2 0 304.453 3.783 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459795399 339048880 /nfs/dbraw/zinc/04/88/80/339048880.db2.gz VFIIUPXWVIKTGA-IXDOHACOSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459798043 339049140 /nfs/dbraw/zinc/04/91/40/339049140.db2.gz XKNMWMNBWWAEFL-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000462481482 339079718 /nfs/dbraw/zinc/07/97/18/339079718.db2.gz AMIPTVFEMMAGBM-FUHWJXTLSA-N 2 0 309.457 3.772 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000462491944 339079937 /nfs/dbraw/zinc/07/99/37/339079937.db2.gz SPKYXKSCVSLWIE-QGZVFWFLSA-N 2 0 309.457 3.916 20 0 DHADRP CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000462690146 339084247 /nfs/dbraw/zinc/08/42/47/339084247.db2.gz WUWVKKWDRNABRZ-WMZOPIPTSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000462750874 339086896 /nfs/dbraw/zinc/08/68/96/339086896.db2.gz RQMRVIGLVYNHNO-MJGOQNOKSA-N 2 0 318.505 3.728 20 0 DHADRP CCC1CCC([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000462750788 339086900 /nfs/dbraw/zinc/08/69/00/339086900.db2.gz RAOAGXXRIQTBHU-UHFFFAOYSA-N 2 0 318.505 3.728 20 0 DHADRP COc1ccc(F)cc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000462791419 339088879 /nfs/dbraw/zinc/08/88/79/339088879.db2.gz AIYJTFNEWUYPFL-UHFFFAOYSA-N 2 0 308.441 3.580 20 0 DHADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000463014142 339100430 /nfs/dbraw/zinc/10/04/30/339100430.db2.gz UFRKMKASLLFBDL-RTBURBONSA-N 2 0 322.537 3.965 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000463574848 339121879 /nfs/dbraw/zinc/12/18/79/339121879.db2.gz DNTZCESUUWJTDD-UHFFFAOYSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000467312038 339231230 /nfs/dbraw/zinc/23/12/30/339231230.db2.gz ZFUSGFBEVXCXTM-RBUKOAKNSA-N 2 0 315.505 3.882 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467387882 339236122 /nfs/dbraw/zinc/23/61/22/339236122.db2.gz DTGFHPIVMVGCJN-OLZOCXBDSA-N 2 0 302.384 3.566 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000467435339 339238399 /nfs/dbraw/zinc/23/83/99/339238399.db2.gz XVRKJWFJBTVJHC-RYRKJORJSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000468034559 339252026 /nfs/dbraw/zinc/25/20/26/339252026.db2.gz XAFMEJHRCKHLJA-VNHYZAJKSA-N 2 0 306.416 3.960 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000468355559 339260471 /nfs/dbraw/zinc/26/04/71/339260471.db2.gz HLZVCDZRSPGTNW-HZSPNIEDSA-N 2 0 312.910 3.939 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000469004495 339277285 /nfs/dbraw/zinc/27/72/85/339277285.db2.gz LXCBVPATZLTHBD-WBMJQRKESA-N 2 0 315.288 3.856 20 0 DHADRP CC[N@@H+]1CC[C@H](NCc2ccc(C)cc2OC(C)(C)C)[C@H](C)C1 ZINC000469179245 339282238 /nfs/dbraw/zinc/28/22/38/339282238.db2.gz UDGDKACXZMBGPT-AEFFLSMTSA-N 2 0 318.505 3.992 20 0 DHADRP COC(C)(C)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000469732058 339297069 /nfs/dbraw/zinc/29/70/69/339297069.db2.gz XWUVZHSRKLHUMT-PKOBYXMFSA-N 2 0 318.505 3.786 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC(C)(C)OC)CC1)CC1CC1 ZINC000469759104 339297893 /nfs/dbraw/zinc/29/78/93/339297893.db2.gz WAJKXBBCHYKNSC-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OC3CCCC3)C[C@@H]21 ZINC000469871985 339303338 /nfs/dbraw/zinc/30/33/38/339303338.db2.gz JHYHYIAWYGIZNZ-AYOQOUSVSA-N 2 0 314.473 3.567 20 0 DHADRP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)s2)cc1 ZINC000469993634 339307274 /nfs/dbraw/zinc/30/72/74/339307274.db2.gz UYRTZIDUFGBAHA-RHSMWYFYSA-N 2 0 300.471 3.893 20 0 DHADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000470010949 339308361 /nfs/dbraw/zinc/30/83/61/339308361.db2.gz DOPDFVSMOUNSHS-ZDUSSCGKSA-N 2 0 304.434 3.596 20 0 DHADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000470011843 339308475 /nfs/dbraw/zinc/30/84/75/339308475.db2.gz NETJLENQZUCCBC-CYBMUJFWSA-N 2 0 304.434 3.596 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000470021878 339308943 /nfs/dbraw/zinc/30/89/43/339308943.db2.gz COBLWTLMBHTFDJ-AWEZNQCLSA-N 2 0 318.461 3.986 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CC[NH+](C)C ZINC000470300306 339316706 /nfs/dbraw/zinc/31/67/06/339316706.db2.gz VDOIENFTWFIWJM-QWHCGFSZSA-N 2 0 302.384 3.566 20 0 DHADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH+]2C)c1 ZINC000472584796 339374430 /nfs/dbraw/zinc/37/44/30/339374430.db2.gz IVTRJHJBMXKGGZ-ICSRJNTNSA-N 2 0 315.505 3.764 20 0 DHADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH+]2C)c1 ZINC000472584793 339374471 /nfs/dbraw/zinc/37/44/71/339374471.db2.gz IVTRJHJBMXKGGZ-AZUAARDMSA-N 2 0 315.505 3.764 20 0 DHADRP Cc1ccc2[nH]c(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2c1C ZINC000473132056 339381742 /nfs/dbraw/zinc/38/17/42/339381742.db2.gz KNWFJMPVLTZGPP-UHFFFAOYSA-N 2 0 313.489 3.948 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000474039293 339398328 /nfs/dbraw/zinc/39/83/28/339398328.db2.gz SSVOAYPGZPRDKF-CABCVRRESA-N 2 0 302.453 3.910 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000474473520 339416271 /nfs/dbraw/zinc/41/62/71/339416271.db2.gz JSXVKWXMAOQXIO-DLBZAZTESA-N 2 0 304.478 3.653 20 0 DHADRP CC(C)C[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000474480621 339416901 /nfs/dbraw/zinc/41/69/01/339416901.db2.gz FHLGCWOAHSRRSF-FQEVSTJZSA-N 2 0 318.505 3.518 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479540427 339540040 /nfs/dbraw/zinc/54/00/40/339540040.db2.gz JIUMSEBRWQMHCE-SOAGJPPSSA-N 2 0 318.480 3.999 20 0 DHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc2c(c1)COC2 ZINC000480034173 339556206 /nfs/dbraw/zinc/55/62/06/339556206.db2.gz JOSQWZYKLGJWNG-CYBMUJFWSA-N 2 0 302.462 3.677 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)CC2 ZINC000480613951 339579684 /nfs/dbraw/zinc/57/96/84/339579684.db2.gz NJVHCCSYCRAAPG-HXUWFJFHSA-N 2 0 316.489 3.784 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000482227876 339626688 /nfs/dbraw/zinc/62/66/88/339626688.db2.gz AJMFPVJVDBUTMI-MRXNPFEDSA-N 2 0 304.478 3.880 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C/C=C\c1ccncc1 ZINC000486936473 339738963 /nfs/dbraw/zinc/73/89/63/339738963.db2.gz FNUPTCYDJCAYQQ-FPLPWBNLSA-N 2 0 309.457 3.726 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2C)CC1 ZINC000501779932 340088567 /nfs/dbraw/zinc/08/85/67/340088567.db2.gz ZQIFTDPGPIWEGS-UHFFFAOYSA-N 2 0 318.505 3.565 20 0 DHADRP Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)c2ccccc2[nH+]1 ZINC000502108885 340095465 /nfs/dbraw/zinc/09/54/65/340095465.db2.gz HFXTXNJCWCGZPB-SFHVURJKSA-N 2 0 311.454 3.741 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000502480980 340105550 /nfs/dbraw/zinc/10/55/50/340105550.db2.gz JOBAOSBEHSATKZ-MOPGFXCFSA-N 2 0 310.526 3.539 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000503024316 340118999 /nfs/dbraw/zinc/11/89/99/340118999.db2.gz MZZYUGCSYGZVKD-MISYRCLQSA-N 2 0 300.490 3.748 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)ccc1F ZINC000504929437 340156574 /nfs/dbraw/zinc/15/65/74/340156574.db2.gz IUISRIICCPZNHR-DYVFJYSZSA-N 2 0 310.457 3.851 20 0 DHADRP Cc1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000507206091 340213235 /nfs/dbraw/zinc/21/32/35/340213235.db2.gz ATTPBBDCBIMDSG-UHFFFAOYSA-N 2 0 306.881 3.956 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C(C)C)cc1 ZINC000507486475 340222345 /nfs/dbraw/zinc/22/23/45/340222345.db2.gz VSONDFANGDITDI-IBGZPJMESA-N 2 0 302.506 3.884 20 0 DHADRP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000086583835 340251855 /nfs/dbraw/zinc/25/18/55/340251855.db2.gz DLDWUDCXCVKJEZ-UHFFFAOYSA-N 2 0 310.869 3.747 20 0 DHADRP Cc1ccccc1OCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303066972 340299812 /nfs/dbraw/zinc/29/98/12/340299812.db2.gz NHRFULKUGGIDKB-UHFFFAOYSA-N 2 0 316.489 3.572 20 0 DHADRP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000303137077 340304380 /nfs/dbraw/zinc/30/43/80/340304380.db2.gz CGFKDZGWESPKOZ-JOCHJYFZSA-N 2 0 322.496 3.903 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510699655 340307272 /nfs/dbraw/zinc/30/72/72/340307272.db2.gz HUTHIKYAZZGSOL-AWEZNQCLSA-N 2 0 310.432 3.748 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510707780 340307410 /nfs/dbraw/zinc/30/74/10/340307410.db2.gz YGTWKPOSJVYJMK-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510735059 340308756 /nfs/dbraw/zinc/30/87/56/340308756.db2.gz KXQAHVAXXRTYCO-HNNXBMFYSA-N 2 0 324.459 3.998 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000510735348 340308811 /nfs/dbraw/zinc/30/88/11/340308811.db2.gz NTROWCVGFXHOCQ-RBSFLKMASA-N 2 0 308.416 3.502 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000511051351 340319546 /nfs/dbraw/zinc/31/95/46/340319546.db2.gz VVYZZNGOVNGWMX-CQSZACIVSA-N 2 0 310.432 3.607 20 0 DHADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000511471250 340327855 /nfs/dbraw/zinc/32/78/55/340327855.db2.gz IYUKMCGBKQFMGT-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000303613440 340337909 /nfs/dbraw/zinc/33/79/09/340337909.db2.gz OUHQDICBFLFADF-UYAOXDASSA-N 2 0 300.490 3.816 20 0 DHADRP CN1CC[C@@H]2CC[N@H+](CC(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000512253804 340354235 /nfs/dbraw/zinc/35/42/35/340354235.db2.gz RUBFTDPWIDWTHM-IRLDBZIGSA-N 2 0 320.480 3.845 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000173405774 340364321 /nfs/dbraw/zinc/36/43/21/340364321.db2.gz YRISNCCGMNYNAD-MSOLQXFVSA-N 2 0 324.896 3.618 20 0 DHADRP CCC1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000512799327 340378365 /nfs/dbraw/zinc/37/83/65/340378365.db2.gz FDTITOHEVUUDNM-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513014103 340388499 /nfs/dbraw/zinc/38/84/99/340388499.db2.gz FFJSTNNOQRCDIB-HFQYIWAZSA-N 2 0 304.865 3.817 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000513223709 340398095 /nfs/dbraw/zinc/39/80/95/340398095.db2.gz NQLDTRYIFJPWKL-MJGOQNOKSA-N 2 0 324.553 3.950 20 0 DHADRP CC[NH+](CC)CCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000514075298 340444742 /nfs/dbraw/zinc/44/47/42/340444742.db2.gz CUZHKBCSMXXMNA-UHFFFAOYSA-N 2 0 324.896 3.667 20 0 DHADRP C[C@H](C[NH+]1CCCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000186739210 340515684 /nfs/dbraw/zinc/51/56/84/340515684.db2.gz NXFRGRVUSLAYOG-GOSISDBHSA-N 2 0 321.553 3.638 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCOC(C)(C)C ZINC000189952792 340541344 /nfs/dbraw/zinc/54/13/44/340541344.db2.gz FFOHVSCEXPFLPB-IRXDYDNUSA-N 2 0 318.505 3.548 20 0 DHADRP CCc1ccc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000522448189 340601741 /nfs/dbraw/zinc/60/17/41/340601741.db2.gz SIWYYBNOEOLZJZ-UHFFFAOYSA-N 2 0 300.490 3.599 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C1CCC1)C1CCC1 ZINC000530211639 340782657 /nfs/dbraw/zinc/78/26/57/340782657.db2.gz NLUIOTBALKMNTQ-CYBMUJFWSA-N 2 0 301.478 3.716 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530244693 340783586 /nfs/dbraw/zinc/78/35/86/340783586.db2.gz MRJUMWZWVOFBFK-WNRNVDISSA-N 2 0 304.865 3.838 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](CC2CCCCCC2)CC1 ZINC000538762274 340849272 /nfs/dbraw/zinc/84/92/72/340849272.db2.gz HSKIJVQMSFQNPD-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130258389 341010214 /nfs/dbraw/zinc/01/02/14/341010214.db2.gz MKZQDVMTZNZGBD-OOJKYFRXSA-N 2 0 306.416 3.818 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000130392232 341020639 /nfs/dbraw/zinc/02/06/39/341020639.db2.gz IKAFFNUYBCDROE-UONOGXRCSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000544132509 341071448 /nfs/dbraw/zinc/07/14/48/341071448.db2.gz LCRADGKSHYVYAL-AWEZNQCLSA-N 2 0 324.415 3.909 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000544347492 341077183 /nfs/dbraw/zinc/07/71/83/341077183.db2.gz XVXDIAGRYUGVCN-CWFSZBLJSA-N 2 0 324.472 3.976 20 0 DHADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000544610994 341088796 /nfs/dbraw/zinc/08/87/96/341088796.db2.gz IMVNVEMVWGLPQN-BTHPGYMESA-N 2 0 322.537 3.776 20 0 DHADRP Cc1nc(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000131608696 341101331 /nfs/dbraw/zinc/10/13/31/341101331.db2.gz QCSDYDUNTYKEEJ-UHFFFAOYSA-N 2 0 321.534 3.582 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)CC[N@@H+]1C ZINC000131762178 341111162 /nfs/dbraw/zinc/11/11/62/341111162.db2.gz WBUAFJPWEYGIFA-LSDHHAIUSA-N 2 0 322.443 3.849 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)[C@H](C)C1 ZINC000132096116 341116166 /nfs/dbraw/zinc/11/61/66/341116166.db2.gz MUSSDAAKBGNPED-QAPCUYQASA-N 2 0 304.453 3.567 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000134404516 341214813 /nfs/dbraw/zinc/21/48/13/341214813.db2.gz PCFSJAWJVGMXCP-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP Clc1ccccc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134936042 341226898 /nfs/dbraw/zinc/22/68/98/341226898.db2.gz AWJFSYLWWMNPOH-APWZRJJASA-N 2 0 318.892 3.831 20 0 DHADRP COc1cccc(C[C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000547738499 341229682 /nfs/dbraw/zinc/22/96/82/341229682.db2.gz NDVCZXIPJXCEJG-LJQANCHMSA-N 2 0 316.489 3.578 20 0 DHADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000547738496 341229693 /nfs/dbraw/zinc/22/96/93/341229693.db2.gz NDVCZXIPJXCEJG-IBGZPJMESA-N 2 0 316.489 3.578 20 0 DHADRP CC[N@H+](CCSC(C)C)CC1CCN(c2ccccn2)CC1 ZINC000549139558 341286890 /nfs/dbraw/zinc/28/68/90/341286890.db2.gz ZMNIYDYIUGFYKE-UHFFFAOYSA-N 2 0 321.534 3.762 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000549226477 341289121 /nfs/dbraw/zinc/28/91/21/341289121.db2.gz YPGGYEOLRAWYPE-BJWYYQGGSA-N 2 0 308.510 3.577 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000245422268 341292800 /nfs/dbraw/zinc/29/28/00/341292800.db2.gz IQMLRMNBXNEERQ-LPHOPBHVSA-N 2 0 304.478 3.636 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1cccc(Cl)c1 ZINC000549840580 341304777 /nfs/dbraw/zinc/30/47/77/341304777.db2.gz KTJIDNADHIRDGY-CRAIPNDOSA-N 2 0 306.881 3.861 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc4ccccc4c3)C2)C1 ZINC000550238115 341313210 /nfs/dbraw/zinc/31/32/10/341313210.db2.gz SGMZWMXLIKLTLK-OAQYLSRUSA-N 2 0 324.468 3.636 20 0 DHADRP CSC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245771240 341314360 /nfs/dbraw/zinc/31/43/60/341314360.db2.gz XGMFESZGHSNUGF-OWLYRPNTSA-N 2 0 304.503 3.523 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000246019621 341322119 /nfs/dbraw/zinc/32/21/19/341322119.db2.gz LHBIDKORABKUGI-JXFKEZNVSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCC23CCCC3)CCCO1 ZINC000550797152 341323286 /nfs/dbraw/zinc/32/32/86/341323286.db2.gz MYCVBRHICBQIQG-QZTJIDSGSA-N 2 0 308.510 3.580 20 0 DHADRP COC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000550909672 341326603 /nfs/dbraw/zinc/32/66/03/341326603.db2.gz CMLSLMPUBASKFF-SOAGJPPSSA-N 2 0 318.505 3.690 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000246121149 341327818 /nfs/dbraw/zinc/32/78/18/341327818.db2.gz KJKKJISZJCSVKO-SJORKVTESA-N 2 0 303.494 3.524 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000551014683 341329317 /nfs/dbraw/zinc/32/93/17/341329317.db2.gz XGGSYJBJHDAWGM-FGTMMUONSA-N 2 0 308.510 3.578 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000246300769 341340844 /nfs/dbraw/zinc/34/08/44/341340844.db2.gz DAAXCXKUOHCZNF-HZPDHXFCSA-N 2 0 322.468 3.853 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000551529137 341344053 /nfs/dbraw/zinc/34/40/53/341344053.db2.gz CBNMVLFCIAVSCV-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246393397 341347116 /nfs/dbraw/zinc/34/71/16/341347116.db2.gz LDBSCEVAOWMTBH-CKEIUWERSA-N 2 0 324.896 3.600 20 0 DHADRP c1c2ccccc2oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246855921 341358011 /nfs/dbraw/zinc/35/80/11/341358011.db2.gz PHLCHLUFKSFVLO-QFBILLFUSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000247060982 341360503 /nfs/dbraw/zinc/36/05/03/341360503.db2.gz NUMNGAUHBLHQKE-HZPDHXFCSA-N 2 0 318.461 3.578 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247137181 341361442 /nfs/dbraw/zinc/36/14/42/341361442.db2.gz SBGAVTGPESJVOC-NSHGMRRFSA-N 2 0 318.505 3.783 20 0 DHADRP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCC(C)CC1)[C@H]1CCOC1 ZINC000248033514 341372431 /nfs/dbraw/zinc/37/24/31/341372431.db2.gz QXRSGYJXWPQXMU-YESZJQIVSA-N 2 0 322.518 3.536 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000248041189 341372477 /nfs/dbraw/zinc/37/24/77/341372477.db2.gz SWAKVVBQFHDCFE-YOEHRIQHSA-N 2 0 310.482 3.628 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)[C@@H](C)C1 ZINC000248184183 341374534 /nfs/dbraw/zinc/37/45/34/341374534.db2.gz XAGPONSYGJHOEL-YOEHRIQHSA-N 2 0 306.881 3.692 20 0 DHADRP Fc1ccc2c(c1)[C@H](N1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000248370612 341375882 /nfs/dbraw/zinc/37/58/82/341375882.db2.gz XSIXIEKXXCGNFW-HNAYVOBHSA-N 2 0 302.437 3.621 20 0 DHADRP COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248392060 341376360 /nfs/dbraw/zinc/37/63/60/341376360.db2.gz CTNBNBBTKZEFGK-JZXOWHBKSA-N 2 0 316.489 3.999 20 0 DHADRP CSCCCCC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000248567312 341380164 /nfs/dbraw/zinc/38/01/64/341380164.db2.gz PEYKFVXFVVEMRM-SJLPKXTDSA-N 2 0 306.519 3.945 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000552252345 341381489 /nfs/dbraw/zinc/38/14/89/341381489.db2.gz JPLPDSSCCHTDNJ-AWEZNQCLSA-N 2 0 322.443 3.892 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000552262381 341382274 /nfs/dbraw/zinc/38/22/74/341382274.db2.gz TYTCKRUDSSORKR-AWEZNQCLSA-N 2 0 322.443 3.750 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1(C)C ZINC000248799796 341387082 /nfs/dbraw/zinc/38/70/82/341387082.db2.gz JOGHNWZRPCVBBC-PBWTXFEYSA-N 2 0 322.537 3.821 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000552344926 341388224 /nfs/dbraw/zinc/38/82/24/341388224.db2.gz IKWGCBWYRQZKJQ-GQCTYLIASA-N 2 0 304.453 3.893 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248935436 341390318 /nfs/dbraw/zinc/39/03/18/341390318.db2.gz NDOYJUFBSRXWCM-CVEARBPZSA-N 2 0 312.379 3.730 20 0 DHADRP CCOC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000248956332 341390620 /nfs/dbraw/zinc/39/06/20/341390620.db2.gz AORZJCMCRQLXOX-NEWSRXKRSA-N 2 0 310.526 3.680 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000249376606 341396752 /nfs/dbraw/zinc/39/67/52/341396752.db2.gz KWIRTMCTVYZWOB-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000249376475 341396815 /nfs/dbraw/zinc/39/68/15/341396815.db2.gz KIPPFTXCEWQFDZ-IAGOWNOFSA-N 2 0 304.478 3.714 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000554050301 341441712 /nfs/dbraw/zinc/44/17/12/341441712.db2.gz IGMVAXDVNNRVNA-ROUUACIJSA-N 2 0 304.478 3.541 20 0 DHADRP c1ccc(C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C2CC2)cc1 ZINC000556232912 341498269 /nfs/dbraw/zinc/49/82/69/341498269.db2.gz LOVBYWAZKHIKEM-FQEVSTJZSA-N 2 0 300.490 3.863 20 0 DHADRP c1c2ccccc2sc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566009786 341545375 /nfs/dbraw/zinc/54/53/75/341545375.db2.gz LQISJXNUFKVVHF-INIZCTEOSA-N 2 0 300.471 3.723 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C12CCCCC2 ZINC000568544262 341674438 /nfs/dbraw/zinc/67/44/38/341674438.db2.gz ZKDIUHMUAFYOFH-HIEASXQVSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000572858319 341706847 /nfs/dbraw/zinc/70/68/47/341706847.db2.gz ZXKLTTAPTVVRKL-SCQOQHIRSA-N 2 0 312.501 3.921 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000347005130 341920143 /nfs/dbraw/zinc/92/01/43/341920143.db2.gz BCKWYSDVYHPRAJ-KRWDZBQOSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@@H]([NH2+]CCc1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000177727138 341925573 /nfs/dbraw/zinc/92/55/73/341925573.db2.gz FVLWQMFEIFTDOZ-OAHLLOKOSA-N 2 0 318.486 3.582 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000423422144 518181860 /nfs/dbraw/zinc/18/18/60/518181860.db2.gz CYDVAEQTGDRDBK-GHMZBOCLSA-N 2 0 317.246 3.756 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423030880 518184375 /nfs/dbraw/zinc/18/43/75/518184375.db2.gz KBOZVNTUXZDYDO-MTYUVTTFSA-N 2 0 304.453 3.830 20 0 DHADRP CCC1(C[NH2+]Cc2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000338335220 519842858 /nfs/dbraw/zinc/84/28/58/519842858.db2.gz XGRIMNIPMQTMTG-UHFFFAOYSA-N 2 0 323.484 3.864 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337330087 519843080 /nfs/dbraw/zinc/84/30/80/519843080.db2.gz GEGPJQGSKOHWEY-UYAOXDASSA-N 2 0 315.505 3.819 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000157949871 519977254 /nfs/dbraw/zinc/97/72/54/519977254.db2.gz FGKHBNXFKHASTA-SJORKVTESA-N 2 0 306.498 3.627 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000189273035 520373442 /nfs/dbraw/zinc/37/34/42/520373442.db2.gz ZERVPNFFEWTPKZ-QZTJIDSGSA-N 2 0 302.462 3.500 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000154794141 520590324 /nfs/dbraw/zinc/59/03/24/520590324.db2.gz RJJYGJFNSCEWIS-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000181906658 520631930 /nfs/dbraw/zinc/63/19/30/520631930.db2.gz WXGNBRNYISZEKR-CVEARBPZSA-N 2 0 319.493 3.806 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)c1cnn(C)c1 ZINC000163758936 522885281 /nfs/dbraw/zinc/88/52/81/522885281.db2.gz VKKGTNAMMHCEKG-LJQANCHMSA-N 2 0 314.477 3.503 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000124797204 523848989 /nfs/dbraw/zinc/84/89/89/523848989.db2.gz JWAXTIKVIJPPOS-KRWDZBQOSA-N 2 0 311.473 3.832 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000131284110 524051491 /nfs/dbraw/zinc/05/14/91/524051491.db2.gz BVRWLDLLGYNGCQ-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP Cc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc2cccnc12 ZINC000339498356 524754812 /nfs/dbraw/zinc/75/48/12/524754812.db2.gz LNOIOSQNKRHDAQ-UHFFFAOYSA-N 2 0 311.473 3.899 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1 ZINC000130316043 524810449 /nfs/dbraw/zinc/81/04/49/524810449.db2.gz YKQFTJCDQCTQNA-YWPYICTPSA-N 2 0 308.516 3.747 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367705430 525522071 /nfs/dbraw/zinc/52/20/71/525522071.db2.gz MPSOBZVIVCNERM-YUBNGQEKSA-N 2 0 314.473 3.630 20 0 DHADRP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)c1 ZINC000157874914 525850471 /nfs/dbraw/zinc/85/04/71/525850471.db2.gz NXUKMUBBPDQTBQ-WMZOPIPTSA-N 2 0 316.489 3.579 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccncc2)CC1 ZINC000159060997 526245862 /nfs/dbraw/zinc/24/58/62/526245862.db2.gz WWWJXLWOOBCFPO-KRWDZBQOSA-N 2 0 301.478 3.558 20 0 DHADRP c1cc2c(cccc2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000180275868 526439758 /nfs/dbraw/zinc/43/97/58/526439758.db2.gz NVMCLZJLCOWUEJ-UHFFFAOYSA-N 2 0 320.440 3.569 20 0 DHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CCCCC[NH+]3CCCC3)C2)c1 ZINC000339504973 526548949 /nfs/dbraw/zinc/54/89/49/526548949.db2.gz NAYXUWRVHPJUCM-QUCCMNQESA-N 2 0 315.505 3.964 20 0 DHADRP FC(F)(F)c1ncc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339500199 527690573 /nfs/dbraw/zinc/69/05/73/527690573.db2.gz NWZZLABZGQSOGK-UHFFFAOYSA-N 2 0 321.412 3.518 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000297436854 535206731 /nfs/dbraw/zinc/20/67/31/535206731.db2.gz VVSRWIVHTXASKY-OSYLJGHBSA-N 2 0 308.416 3.817 20 0 DHADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000339905792 1013053051 /nfs/dbraw/zinc/05/30/51/1013053051.db2.gz DDBYGJMKWMELOY-NSHDSACASA-N 2 0 310.228 3.716 20 0 DHADRP Cc1cccnc1C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001279378736 1013089145 /nfs/dbraw/zinc/08/91/45/1013089145.db2.gz AJSDYNYAIAXAMY-UHFFFAOYSA-N 2 0 313.489 3.621 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000044517315 1013093139 /nfs/dbraw/zinc/09/31/39/1013093139.db2.gz VRRYTIQQLVVJBP-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048630 1013198209 /nfs/dbraw/zinc/19/82/09/1013198209.db2.gz JCXIHKAPTVEGEP-OALUTQOASA-N 2 0 310.526 3.564 20 0 DHADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167964290 1013204137 /nfs/dbraw/zinc/20/41/37/1013204137.db2.gz OMFXMOXEWBDXOT-IHWFROFDSA-N 2 0 312.501 3.959 20 0 DHADRP C[NH2+]Cc1cn(-c2cc3[nH]ccc3c(C)[nH+]2)c2ccc(C)cc12 ZINC001167122621 1013223523 /nfs/dbraw/zinc/22/35/23/1013223523.db2.gz KTZHUHODVPCITP-UHFFFAOYSA-N 2 0 304.397 3.843 20 0 DHADRP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000518978510 1013253563 /nfs/dbraw/zinc/25/35/63/1013253563.db2.gz WICZGDFEPVPDKI-KBPBESRZSA-N 2 0 316.445 3.596 20 0 DHADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C1c3ccccc3-c3ccccc31)C2 ZINC000324385597 1013254858 /nfs/dbraw/zinc/25/48/58/1013254858.db2.gz ZVMZTGMDLOHARV-BTYIYWSLSA-N 2 0 304.437 3.817 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000519399590 1013316762 /nfs/dbraw/zinc/31/67/62/1013316762.db2.gz VNYQPHXGCXWIAD-UAGQMJEPSA-N 2 0 308.441 3.558 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000894454937 1013371749 /nfs/dbraw/zinc/37/17/49/1013371749.db2.gz CPCFZQUBOFPPCR-HLIUYOAVSA-N 2 0 308.416 3.531 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324413229 1013393329 /nfs/dbraw/zinc/39/33/29/1013393329.db2.gz WJIFBDYIRLAOCQ-FXAWDEMLSA-N 2 0 324.468 3.812 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000121025080 1013431095 /nfs/dbraw/zinc/43/10/95/1013431095.db2.gz NXYGOMRPMCVIDP-OAHLLOKOSA-N 2 0 312.457 3.668 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000894861302 1013557115 /nfs/dbraw/zinc/55/71/15/1013557115.db2.gz RNEHHICFVWHVIY-VQCLRJIVSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000519867353 1013617217 /nfs/dbraw/zinc/61/72/17/1013617217.db2.gz RYJDHJHSEQQCHI-FQEVSTJZSA-N 2 0 318.424 3.913 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC000839183514 1013621830 /nfs/dbraw/zinc/62/18/30/1013621830.db2.gz XNKJVVGQNMVQRE-CQSZACIVSA-N 2 0 314.445 3.823 20 0 DHADRP CC(C)Oc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000519997702 1013642335 /nfs/dbraw/zinc/64/23/35/1013642335.db2.gz CNCPIUKEYUHHKE-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000655805023 1013722827 /nfs/dbraw/zinc/72/28/27/1013722827.db2.gz IOSODCBFXRKUSY-OXFYSEKESA-N 2 0 316.489 3.856 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1sccc1Br ZINC000655806293 1013728496 /nfs/dbraw/zinc/72/84/96/1013728496.db2.gz UMPMNNPCHDMAPY-GARJFASQSA-N 2 0 317.296 3.501 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000655804975 1013723316 /nfs/dbraw/zinc/72/33/16/1013723316.db2.gz HRHXOKPYJZXZOT-JSSFPYSZSA-N 2 0 306.881 3.906 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-c2ccncc2)cc1 ZINC000655804802 1013723442 /nfs/dbraw/zinc/72/34/42/1013723442.db2.gz BZUMZKMGOBXMMW-TWOQFEAHSA-N 2 0 309.457 3.739 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000655804974 1013724214 /nfs/dbraw/zinc/72/42/14/1013724214.db2.gz HRHXOKPYJZXZOT-CXHZTBPHSA-N 2 0 306.881 3.906 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000655807973 1013731750 /nfs/dbraw/zinc/73/17/50/1013731750.db2.gz YTDRVOBASVUQMV-GMXVVIOVSA-N 2 0 301.261 3.984 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000655826016 1013746363 /nfs/dbraw/zinc/74/63/63/1013746363.db2.gz CJKISJPNOAOTCR-OKILXGFUSA-N 2 0 318.461 3.984 20 0 DHADRP COc1ccc(Cl)cc1C(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000895010569 1013773853 /nfs/dbraw/zinc/77/38/53/1013773853.db2.gz ZGTKMAYCCJZXOO-UHFFFAOYSA-N 2 0 310.869 3.515 20 0 DHADRP c1ccc(C[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167995760 1013793894 /nfs/dbraw/zinc/79/38/94/1013793894.db2.gz PWXSIGIQGGNQCM-CCDCCJRHSA-N 2 0 324.512 3.956 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000070170993 1013798044 /nfs/dbraw/zinc/79/80/44/1013798044.db2.gz RZZAEZQPOXHSQA-NSHDSACASA-N 2 0 318.795 3.502 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000340471047 1013837690 /nfs/dbraw/zinc/83/76/90/1013837690.db2.gz BAPSITLIGARUNU-OXQOHEQNSA-N 2 0 316.489 3.871 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000655941573 1013838305 /nfs/dbraw/zinc/83/83/05/1013838305.db2.gz XIWACMMORHRJQR-QZTJIDSGSA-N 2 0 316.489 3.640 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000655942666 1013839395 /nfs/dbraw/zinc/83/93/95/1013839395.db2.gz WXKXGRLSONURIC-JQHSSLGASA-N 2 0 322.880 3.509 20 0 DHADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340475273 1013856114 /nfs/dbraw/zinc/85/61/14/1013856114.db2.gz WJKHNLWTSLEIFF-SFHVURJKSA-N 2 0 302.462 3.625 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340477909 1013860209 /nfs/dbraw/zinc/86/02/09/1013860209.db2.gz ONLCMPCNKNEHLV-GOSISDBHSA-N 2 0 302.462 3.538 20 0 DHADRP C[C@H]1C[C@H](C)CN(CC[NH2+]C(C)(C)CCc2ccccc2)C1 ZINC001167326347 1013884768 /nfs/dbraw/zinc/88/47/68/1013884768.db2.gz KWGOBJWWTGPSMZ-ROUUACIJSA-N 2 0 302.506 3.965 20 0 DHADRP CC(C)c1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166632547 1013932978 /nfs/dbraw/zinc/93/29/78/1013932978.db2.gz MLLPDHAPMMZKOT-VQTJNVASSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683765549 1013969016 /nfs/dbraw/zinc/96/90/16/1013969016.db2.gz VJINXXYUGCGWNG-IRXDYDNUSA-N 2 0 311.473 3.692 20 0 DHADRP c1cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2cn1 ZINC000683831162 1014052661 /nfs/dbraw/zinc/05/26/61/1014052661.db2.gz KXKHREOFJHCLOC-GOSISDBHSA-N 2 0 309.457 3.543 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000564583994 1014048687 /nfs/dbraw/zinc/04/86/87/1014048687.db2.gz CTSKMCBZUAYAMG-HUUCEWRRSA-N 2 0 314.395 3.843 20 0 DHADRP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198739 1014104761 /nfs/dbraw/zinc/10/47/61/1014104761.db2.gz GULFIMAHTIXJSY-NFAWXSAZSA-N 2 0 300.368 3.848 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000656200611 1014105820 /nfs/dbraw/zinc/10/58/20/1014105820.db2.gz BGXAAWZWVCIGRP-NEPJUHHUSA-N 2 0 311.420 3.713 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000125561030 1014124614 /nfs/dbraw/zinc/12/46/14/1014124614.db2.gz ASTPOBIJNXUXNQ-CQSZACIVSA-N 2 0 318.461 3.938 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000361762618 1032087912 /nfs/dbraw/zinc/08/79/12/1032087912.db2.gz DBZNWUZKUHEQHG-IBGZPJMESA-N 2 0 316.489 3.920 20 0 DHADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001167426417 1014259283 /nfs/dbraw/zinc/25/92/83/1014259283.db2.gz WTHJAIJBKOXXPV-AABGKKOBSA-N 2 0 324.553 3.904 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2-c2cccnc2)CC1 ZINC001168298792 1032090239 /nfs/dbraw/zinc/09/02/39/1032090239.db2.gz CKQDUJCZJXIMFG-UHFFFAOYSA-N 2 0 309.457 3.711 20 0 DHADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2nc(C)ccc2c1 ZINC000349341403 1014275934 /nfs/dbraw/zinc/27/59/34/1014275934.db2.gz BMAANWRITNCKSL-UHFFFAOYSA-N 2 0 311.473 3.851 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000177806435 1014331923 /nfs/dbraw/zinc/33/19/23/1014331923.db2.gz CTXLGFOHHYGWKJ-AWEZNQCLSA-N 2 0 303.475 3.882 20 0 DHADRP C[C@@H]([NH3+])c1nccn1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005598 1014405388 /nfs/dbraw/zinc/40/53/88/1014405388.db2.gz KCIYLWSBDZISRG-KYHPRHEASA-N 2 0 312.461 3.517 20 0 DHADRP COC[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001168005999 1014412530 /nfs/dbraw/zinc/41/25/30/1014412530.db2.gz MCUVMAJWHIBJNF-ZWOKBUDYSA-N 2 0 318.505 3.689 20 0 DHADRP Cc1nocc1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006999 1014425686 /nfs/dbraw/zinc/42/56/86/1014425686.db2.gz QEEGFFKRVHINBQ-CCWDJLKJSA-N 2 0 313.445 3.514 20 0 DHADRP FC(F)C1(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639117126 1014445120 /nfs/dbraw/zinc/44/51/20/1014445120.db2.gz DDXULWZGDIWOGS-DOTOQJQBSA-N 2 0 320.427 3.989 20 0 DHADRP COC1(C[C@H](C)N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CCC1 ZINC000895112780 1014445565 /nfs/dbraw/zinc/44/55/65/1014445565.db2.gz RXPMNQZXWLBOGG-ULQDDVLXSA-N 2 0 317.477 3.506 20 0 DHADRP C[C@@H]1CC([NH2+]CCc2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008577 1014475175 /nfs/dbraw/zinc/47/51/75/1014475175.db2.gz XMCWGLWQYSAZFY-QZTJIDSGSA-N 2 0 323.484 3.655 20 0 DHADRP Cc1oncc1CNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009128 1014483902 /nfs/dbraw/zinc/48/39/02/1014483902.db2.gz YRCQDSHFTFTEPV-GJZGRUSLSA-N 2 0 313.445 3.514 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665239009 1014511644 /nfs/dbraw/zinc/51/16/44/1014511644.db2.gz KBIVJLLBHJYRBD-NJSLBKSFSA-N 2 0 303.494 3.962 20 0 DHADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665234506 1014506408 /nfs/dbraw/zinc/50/64/08/1014506408.db2.gz DZVKPBWAAQAVDO-DYVFJYSZSA-N 2 0 315.436 3.660 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)c2ccccc21 ZINC000665238850 1014513472 /nfs/dbraw/zinc/51/34/72/1014513472.db2.gz FZXTWFGKBCVLJM-AZUAARDMSA-N 2 0 303.409 3.512 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000665247572 1014539481 /nfs/dbraw/zinc/53/94/81/1014539481.db2.gz FNVSHAHYUBLNBG-RDJZCZTQSA-N 2 0 320.452 3.722 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168010936 1014567306 /nfs/dbraw/zinc/56/73/06/1014567306.db2.gz LLJGBMDGCRBOAJ-PIKOESSRSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)OC1CC([NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000428098186 1014576629 /nfs/dbraw/zinc/57/66/29/1014576629.db2.gz UDCCAQWXANJPJW-ZLPCBKJTSA-N 2 0 304.478 3.661 20 0 DHADRP CSCCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168011098 1014572829 /nfs/dbraw/zinc/57/28/29/1014572829.db2.gz MNBQDENPZXTMOS-HZPDHXFCSA-N 2 0 306.519 3.771 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nsc2ccccc12 ZINC000665275016 1014637839 /nfs/dbraw/zinc/63/78/39/1014637839.db2.gz ASDYTWGHGLYGOW-HUUCEWRRSA-N 2 0 317.502 3.739 20 0 DHADRP Clc1ccc([C@H](NCC23CC(C2)C[NH2+]3)C2CC2)cc1Cl ZINC000665279164 1014658230 /nfs/dbraw/zinc/65/82/30/1014658230.db2.gz YFQVBPXRCAOTSS-KRSWERPXSA-N 2 0 311.256 3.786 20 0 DHADRP CC(C)[C@H](NCC12CC(C1)C[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000665278945 1014658272 /nfs/dbraw/zinc/65/82/72/1014658272.db2.gz SLPZRXXQODXPKP-NRAUKZCXSA-N 2 0 312.379 3.744 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000665282425 1014680400 /nfs/dbraw/zinc/68/04/00/1014680400.db2.gz XZMKDOWSDVIKMJ-SWLSCSKDSA-N 2 0 302.384 3.599 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000190995837 1014676906 /nfs/dbraw/zinc/67/69/06/1014676906.db2.gz YAJYHJHOCPPNOF-SQNIBIBYSA-N 2 0 308.510 3.530 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC000521317693 1014685600 /nfs/dbraw/zinc/68/56/00/1014685600.db2.gz SZMGUVOVWFEDPF-HNNXBMFYSA-N 2 0 310.844 3.643 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000442925119 1014775499 /nfs/dbraw/zinc/77/54/99/1014775499.db2.gz UJFYNQUWAJTEBU-INIZCTEOSA-N 2 0 302.462 3.569 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665301130 1014776174 /nfs/dbraw/zinc/77/61/74/1014776174.db2.gz OYPUBOXNQSFLCK-VFNWGFHPSA-N 2 0 323.484 3.867 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000442989688 1014787936 /nfs/dbraw/zinc/78/79/36/1014787936.db2.gz ITOZYPQFYPTCLN-HZPDHXFCSA-N 2 0 314.395 3.976 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000521859006 1014820642 /nfs/dbraw/zinc/82/06/42/1014820642.db2.gz MSUUIYXYAYUGJN-HNNXBMFYSA-N 2 0 316.367 3.626 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000276193074 1014824098 /nfs/dbraw/zinc/82/40/98/1014824098.db2.gz MFQAMAZXFSLIAD-UHFFFAOYSA-N 2 0 300.368 3.588 20 0 DHADRP C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000443318896 1014868532 /nfs/dbraw/zinc/86/85/32/1014868532.db2.gz KKCCPHYMOQXRKW-MNOVXSKESA-N 2 0 317.296 3.646 20 0 DHADRP CCCC[C@H](CO)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168016459 1014893141 /nfs/dbraw/zinc/89/31/41/1014893141.db2.gz WCOOUWFAUMPCPA-JENIJYKNSA-N 2 0 318.505 3.569 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000443443189 1014913717 /nfs/dbraw/zinc/91/37/17/1014913717.db2.gz YAHKMXAQIXCLBH-HZPDHXFCSA-N 2 0 309.457 3.566 20 0 DHADRP Fc1ccc(OCCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157243964 1015012185 /nfs/dbraw/zinc/01/21/85/1015012185.db2.gz QANONRAKTFUZMU-GOSISDBHSA-N 2 0 320.452 3.545 20 0 DHADRP C[C@@H]1C[C@@H](NC(C)(C)C(C)(C)[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168022636 1015025498 /nfs/dbraw/zinc/02/54/98/1015025498.db2.gz AUFCLKHADTVNEE-ALXJQNPVSA-N 2 0 317.521 3.534 20 0 DHADRP CCCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000443677654 1015105723 /nfs/dbraw/zinc/10/57/23/1015105723.db2.gz YNGWZDPXMANNIG-IAGOWNOFSA-N 2 0 309.457 3.648 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000033829382 1015153125 /nfs/dbraw/zinc/15/31/25/1015153125.db2.gz KGINNJCVISGZNG-CTNGQTDRSA-N 2 0 308.469 3.926 20 0 DHADRP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786584 1015159101 /nfs/dbraw/zinc/15/91/01/1015159101.db2.gz UWPAJEIIPFPPDH-INIZCTEOSA-N 2 0 319.518 3.622 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647171581 1015174640 /nfs/dbraw/zinc/17/46/40/1015174640.db2.gz OQUQQHYDIPSHIC-HUUCEWRRSA-N 2 0 302.453 3.912 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c1 ZINC000684370936 1015176864 /nfs/dbraw/zinc/17/68/64/1015176864.db2.gz HTMIQMHSEMPECL-RTBURBONSA-N 2 0 304.478 3.576 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2csc3ccccc23)[C@H](C)C1 ZINC000178047516 1017151582 /nfs/dbraw/zinc/15/15/82/1017151582.db2.gz YDEPIJPWVGRWGI-RHSMWYFYSA-N 2 0 302.487 3.764 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3ccnc3C1)CCC2 ZINC000581726482 1015276663 /nfs/dbraw/zinc/27/66/63/1015276663.db2.gz OUTMAQKUDPVNGT-YOEHRIQHSA-N 2 0 313.470 3.587 20 0 DHADRP CC(C)[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000474404905 1015330111 /nfs/dbraw/zinc/33/01/11/1015330111.db2.gz ZNPGLYGRIQFNCI-HSALFYBXSA-N 2 0 300.490 3.842 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]C2CCC(F)(F)CC2)ccc1F ZINC000647183945 1015372192 /nfs/dbraw/zinc/37/21/92/1015372192.db2.gz UJMDEZUDMXDWIP-UHFFFAOYSA-N 2 0 300.368 3.555 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)C1CCC1 ZINC000474485840 1015394618 /nfs/dbraw/zinc/39/46/18/1015394618.db2.gz FXCPOZDMFOWMPC-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)cnc2Cl)CC1 ZINC000891610989 1015445560 /nfs/dbraw/zinc/44/55/60/1015445560.db2.gz DTQIGVDJQQLXJZ-UHFFFAOYSA-N 2 0 309.885 3.597 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CSCCc2ccccc21)C[NH+]1CCCC1 ZINC000581911434 1015524662 /nfs/dbraw/zinc/52/46/62/1015524662.db2.gz UGBIFWOZVCKEMX-GOSISDBHSA-N 2 0 318.530 3.729 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)ccc2c1 ZINC000581937713 1015574155 /nfs/dbraw/zinc/57/41/55/1015574155.db2.gz HNJTVAXUHYXDRD-HNNXBMFYSA-N 2 0 300.446 3.887 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(SCC(F)F)cc1 ZINC000581937712 1015575313 /nfs/dbraw/zinc/57/53/13/1015575313.db2.gz HMSMTMVKYCCYRL-LBPRGKRZSA-N 2 0 314.445 3.694 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000341614139 1015594280 /nfs/dbraw/zinc/59/42/80/1015594280.db2.gz AXDRCYYSCLFMNC-DOTOQJQBSA-N 2 0 320.477 3.619 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341690202 1015670791 /nfs/dbraw/zinc/67/07/91/1015670791.db2.gz BCYYSXRRLFXLSQ-QGZVFWFLSA-N 2 0 322.880 3.875 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474891619 1015689676 /nfs/dbraw/zinc/68/96/76/1015689676.db2.gz YUUAXOGIDLWWHN-HZSPNIEDSA-N 2 0 312.910 3.969 20 0 DHADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(C3CCC([NH+](C)C)CC3)c2c1 ZINC001168303715 1032123720 /nfs/dbraw/zinc/12/37/20/1032123720.db2.gz AIRWCLVPBBQZFX-ZLPCBKJTSA-N 2 0 313.489 3.885 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000341716325 1015695641 /nfs/dbraw/zinc/69/56/41/1015695641.db2.gz WZMVFZAFFNAIND-IBGZPJMESA-N 2 0 304.453 3.915 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000684558149 1015736486 /nfs/dbraw/zinc/73/64/86/1015736486.db2.gz BVCUYYGDQGTUSA-MZMPZRCHSA-N 2 0 306.881 3.906 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000684557813 1015737064 /nfs/dbraw/zinc/73/70/64/1015737064.db2.gz JDXQZHVATBMXRC-UTKZUKDTSA-N 2 0 323.484 3.799 20 0 DHADRP C[NH+](C)[C@H](CNc1cc[nH+]c2c(O)cccc12)c1ccsc1 ZINC000684568120 1015760448 /nfs/dbraw/zinc/76/04/48/1015760448.db2.gz DSUGCZQPSXOYRR-OAHLLOKOSA-N 2 0 313.426 3.717 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443977291 1015826453 /nfs/dbraw/zinc/82/64/53/1015826453.db2.gz HQTVSDSPHYDCHD-LLVKDONJSA-N 2 0 323.428 3.762 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000281113200 1015834794 /nfs/dbraw/zinc/83/47/94/1015834794.db2.gz ABZYMNPKZFHCFI-MJGOQNOKSA-N 2 0 315.505 3.879 20 0 DHADRP COCCCC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000892085918 1016201237 /nfs/dbraw/zinc/20/12/37/1016201237.db2.gz LARKZUUKDAABOK-SFHVURJKSA-N 2 0 308.510 3.534 20 0 DHADRP CC1CC[NH+](CCC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657294119 1016210936 /nfs/dbraw/zinc/21/09/36/1016210936.db2.gz FBZOWTAYJOBEDX-UHFFFAOYSA-N 2 0 303.475 3.508 20 0 DHADRP CCSC[C@@H](C)[NH+]1CCC(N(C)Cc2cccc(F)c2)CC1 ZINC001173314411 1033707386 /nfs/dbraw/zinc/70/73/86/1033707386.db2.gz IJMGFHAUNZANDJ-OAHLLOKOSA-N 2 0 324.509 3.864 20 0 DHADRP Fc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1C(F)F ZINC000892098470 1016218184 /nfs/dbraw/zinc/21/81/84/1016218184.db2.gz DTLKUYUGQNITCQ-CQSZACIVSA-N 2 0 312.379 3.681 20 0 DHADRP C[C@@H](NCCC[NH+](C)C)c1ccc(SCC(F)F)cc1 ZINC000151908248 1016282904 /nfs/dbraw/zinc/28/29/04/1016282904.db2.gz BYROGUCSODEJAU-GFCCVEGCSA-N 2 0 302.434 3.646 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC000074721909 1016295395 /nfs/dbraw/zinc/29/53/95/1016295395.db2.gz XVJVQNYWXHBXKJ-QGZVFWFLSA-N 2 0 324.468 3.709 20 0 DHADRP CC[N@H+](CC(C)(C)C[NH+](C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC001207275292 1016307975 /nfs/dbraw/zinc/30/79/75/1016307975.db2.gz LPVKBPSXFKVZMJ-MRXNPFEDSA-N 2 0 306.494 3.536 20 0 DHADRP CCCC[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657335484 1016364591 /nfs/dbraw/zinc/36/45/91/1016364591.db2.gz KCLRTKHUWGQDOW-UHFFFAOYSA-N 2 0 303.475 3.650 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000657349282 1016399152 /nfs/dbraw/zinc/39/91/52/1016399152.db2.gz POKYYVBEVPQDCS-UHFFFAOYSA-N 2 0 315.486 3.550 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657359724 1016448205 /nfs/dbraw/zinc/44/82/05/1016448205.db2.gz XSAVNVCPEGTLPH-MRXNPFEDSA-N 2 0 300.471 3.847 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281324679 1016468921 /nfs/dbraw/zinc/46/89/21/1016468921.db2.gz SSYKREQSUTUNHA-BEFAXECRSA-N 2 0 319.468 3.774 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346632680 1016489746 /nfs/dbraw/zinc/48/97/46/1016489746.db2.gz DMQSMSMIDIXKPF-QWHCGFSZSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346632678 1016490470 /nfs/dbraw/zinc/49/04/70/1016490470.db2.gz DMQSMSMIDIXKPF-CHWSQXEVSA-N 2 0 304.434 3.723 20 0 DHADRP CCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000657378735 1016536596 /nfs/dbraw/zinc/53/65/96/1016536596.db2.gz YZLOPGGYZAHIAA-YQQQUEKLSA-N 2 0 316.489 3.889 20 0 DHADRP COCCCC1(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCC1 ZINC000892234337 1016539301 /nfs/dbraw/zinc/53/93/01/1016539301.db2.gz DFSVTCHHZQDNCI-HKUYNNGSSA-N 2 0 320.521 3.532 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001168305705 1032149207 /nfs/dbraw/zinc/14/92/07/1032149207.db2.gz KZPPJXXTGARYIN-KVULBXGLSA-N 2 0 307.869 3.649 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000347028665 1016699522 /nfs/dbraw/zinc/69/95/22/1016699522.db2.gz VSHRCOBTABVBJC-UHFFFAOYSA-N 2 0 321.515 3.693 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000347056554 1016710159 /nfs/dbraw/zinc/71/01/59/1016710159.db2.gz VLKVOCDNYOFWDF-GOEBONIOSA-N 2 0 300.471 3.974 20 0 DHADRP COc1cccc(C2([NH2+]C3CCC([NH+](C)C)CC3)CCC2)c1 ZINC001168305605 1032149811 /nfs/dbraw/zinc/14/98/11/1032149811.db2.gz PRECBNSXKLOYFD-UHFFFAOYSA-N 2 0 302.462 3.537 20 0 DHADRP CCc1[nH+]c2ccccc2c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000684888201 1016811808 /nfs/dbraw/zinc/81/18/08/1016811808.db2.gz KWLGCNVFPDMLOB-JKSUJKDBSA-N 2 0 309.457 3.566 20 0 DHADRP CCc1[nH+]c2ccccc2c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000684888199 1016812082 /nfs/dbraw/zinc/81/20/82/1016812082.db2.gz KWLGCNVFPDMLOB-HOTGVXAUSA-N 2 0 309.457 3.566 20 0 DHADRP Clc1ccc(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000671306679 1016923893 /nfs/dbraw/zinc/92/38/93/1016923893.db2.gz GYTAAMUMDIGNKU-ROUUACIJSA-N 2 0 312.844 3.658 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623343867 1016971683 /nfs/dbraw/zinc/97/16/83/1016971683.db2.gz MQIDHIBYXJSPLH-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc3ccccc3c2)CC1(C)C ZINC000623349868 1016982850 /nfs/dbraw/zinc/98/28/50/1016982850.db2.gz OZKNKPHQHIPNPR-GOSISDBHSA-N 2 0 312.457 3.681 20 0 DHADRP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356916 1016987441 /nfs/dbraw/zinc/98/74/41/1016987441.db2.gz OKYZEXIUIDCTDV-SJORKVTESA-N 2 0 323.550 3.593 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657481534 1016992900 /nfs/dbraw/zinc/99/29/00/1016992900.db2.gz FPDXUVMKGOUPEL-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP C[C@@H]([NH2+]C(C)(C)CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623418863 1017035044 /nfs/dbraw/zinc/03/50/44/1017035044.db2.gz IXSPKGDHJBEFAJ-AEFFLSMTSA-N 2 0 317.521 3.578 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001168312378 1032208359 /nfs/dbraw/zinc/20/83/59/1032208359.db2.gz TWXLVZBPUHXKMI-XUJLQICISA-N 2 0 307.869 3.649 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000294950129 1032223625 /nfs/dbraw/zinc/22/36/25/1032223625.db2.gz HNBNMVSREHQVFC-PRTUASRFSA-N 2 0 308.466 3.823 20 0 DHADRP CC(C)(C)C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984873 1017071665 /nfs/dbraw/zinc/07/16/65/1017071665.db2.gz RPZNEKJXUIXNBW-UHFFFAOYSA-N 2 0 318.505 3.693 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(Cc3ccccc3F)CC2)CC1 ZINC001168324205 1032267621 /nfs/dbraw/zinc/26/76/21/1032267621.db2.gz KBKLCARSABARLG-UHFFFAOYSA-N 2 0 318.480 3.953 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000057993962 1032325174 /nfs/dbraw/zinc/32/51/74/1032325174.db2.gz IHDCDVNJBKMXOY-ZDUSSCGKSA-N 2 0 300.368 3.527 20 0 DHADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120845455 1032401838 /nfs/dbraw/zinc/40/18/38/1032401838.db2.gz OELJRDPOMQBLLG-HXUWFJFHSA-N 2 0 312.432 3.973 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000630052389 1017271215 /nfs/dbraw/zinc/27/12/15/1017271215.db2.gz UOJJDKSVQIQOMQ-UHFFFAOYSA-N 2 0 300.833 3.930 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171336164 1032439050 /nfs/dbraw/zinc/43/90/50/1032439050.db2.gz AKGALPUAYKVZKC-WMLDXEAASA-N 2 0 324.459 3.922 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1(C)C ZINC000623502990 1017083378 /nfs/dbraw/zinc/08/33/78/1017083378.db2.gz GVXFRBOIMNQQNQ-QRVBRYPASA-N 2 0 300.490 3.860 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348098605 1032461500 /nfs/dbraw/zinc/46/15/00/1032461500.db2.gz UHBMVMUQJHSSKP-UWVAXJGDSA-N 2 0 312.457 3.711 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000121660585 1032461706 /nfs/dbraw/zinc/46/17/06/1032461706.db2.gz CZXBUUPLGFIHFD-CQSZACIVSA-N 2 0 308.441 3.607 20 0 DHADRP CC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000179725805 1017293776 /nfs/dbraw/zinc/29/37/76/1017293776.db2.gz HPQXRVNRRXSKKT-DZGCQCFKSA-N 2 0 312.404 3.813 20 0 DHADRP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253695 1032484537 /nfs/dbraw/zinc/48/45/37/1032484537.db2.gz HACNWULBVZJVOO-GOSISDBHSA-N 2 0 309.457 3.522 20 0 DHADRP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253694 1032485992 /nfs/dbraw/zinc/48/59/92/1032485992.db2.gz HACNWULBVZJVOO-SFHVURJKSA-N 2 0 309.457 3.522 20 0 DHADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000684957303 1017093006 /nfs/dbraw/zinc/09/30/06/1017093006.db2.gz RMWKLXGCNKVGLP-GOSISDBHSA-N 2 0 301.478 3.705 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)[C@H](C)C1 ZINC001171360325 1032515584 /nfs/dbraw/zinc/51/55/84/1032515584.db2.gz JVCFOLOQYVMWNU-ACWOFJMJSA-N 2 0 322.443 3.531 20 0 DHADRP C[N@@H+](Cc1cccc(-c2ccncc2)c1)CC1CC[NH+](C)CC1 ZINC000093089031 1032523291 /nfs/dbraw/zinc/52/32/91/1032523291.db2.gz INWCTSSYNTZKGR-UHFFFAOYSA-N 2 0 309.457 3.522 20 0 DHADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122321518 1032533798 /nfs/dbraw/zinc/53/37/98/1032533798.db2.gz YSNDGQHUZZPFKL-KKSFZXQISA-N 2 0 324.468 3.650 20 0 DHADRP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(-c2ccncc2)c1 ZINC000093597702 1032548016 /nfs/dbraw/zinc/54/80/16/1032548016.db2.gz LAVJINPQJGPSTE-IBGZPJMESA-N 2 0 321.468 3.666 20 0 DHADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925145567 1017318064 /nfs/dbraw/zinc/31/80/64/1017318064.db2.gz SENQBPGNEXVTJA-WQANXHIZSA-N 2 0 316.489 3.602 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000122654072 1032567156 /nfs/dbraw/zinc/56/71/56/1032567156.db2.gz NSQRNKKVEPZMGR-IBGZPJMESA-N 2 0 303.494 3.880 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000537647479 1032575015 /nfs/dbraw/zinc/57/50/15/1032575015.db2.gz LMKSPOCHPWPFHO-ZMUQKWFASA-N 2 0 302.437 3.503 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc3ccccc13)CC[NH2+]CC2 ZINC000424282759 1011974011 /nfs/dbraw/zinc/97/40/11/1011974011.db2.gz AGBONAPAJNRLBK-CQSZACIVSA-N 2 0 300.471 3.865 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C3)cc1 ZINC000424327000 1011981268 /nfs/dbraw/zinc/98/12/68/1011981268.db2.gz MIZJBMYSOALBEJ-HGJUEJDCSA-N 2 0 310.485 3.960 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475279916 1017102619 /nfs/dbraw/zinc/10/26/19/1017102619.db2.gz ZHQJQPUSIZDJJT-SLFFLAALSA-N 2 0 300.490 3.923 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000579734465 1012006372 /nfs/dbraw/zinc/00/63/72/1012006372.db2.gz UKUDMYLWHVXMNE-LSDHHAIUSA-N 2 0 307.507 3.593 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1cc3ccccc3s1)CC[NH2+]CC2 ZINC000424377341 1012011509 /nfs/dbraw/zinc/01/15/09/1012011509.db2.gz LXPAJQNULCRRIG-AWEZNQCLSA-N 2 0 300.471 3.865 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OC(F)F)cc1 ZINC000643545711 1012086465 /nfs/dbraw/zinc/08/64/65/1012086465.db2.gz BEZXQIHBSOORMT-JSGCOSHPSA-N 2 0 310.388 3.613 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954540 1032606363 /nfs/dbraw/zinc/60/63/63/1032606363.db2.gz XOQANNMVAGNILZ-ULQDDVLXSA-N 2 0 304.865 3.708 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953554 1032603905 /nfs/dbraw/zinc/60/39/05/1032603905.db2.gz BBOYVWFMYDAFOQ-UAGQMJEPSA-N 2 0 304.865 3.708 20 0 DHADRP C[C@H]([NH2+]Cc1cc(F)ccc1F)c1cccc(C[NH+](C)C)c1 ZINC000924973799 1012191502 /nfs/dbraw/zinc/19/15/02/1012191502.db2.gz YBGOCJCICZNIFU-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP CC(C)SCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000514235562 1012307148 /nfs/dbraw/zinc/30/71/48/1012307148.db2.gz FGRXQIZARWRQQI-IAGOWNOFSA-N 2 0 320.546 3.874 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCCc2cc(CC)no2)CC1 ZINC000514817356 1012453720 /nfs/dbraw/zinc/45/37/20/1012453720.db2.gz AURXQBQPYYNUQP-UHFFFAOYSA-N 2 0 321.509 3.614 20 0 DHADRP C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)C1CC[NH+](C)CC1 ZINC000119352950 1012472096 /nfs/dbraw/zinc/47/20/96/1012472096.db2.gz BNNFKPWUOUYKSL-LIRRHRJNSA-N 2 0 304.453 3.987 20 0 DHADRP C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)C1CC[NH+](C)CC1 ZINC000119353078 1012472346 /nfs/dbraw/zinc/47/23/46/1012472346.db2.gz BNNFKPWUOUYKSL-KUHUBIRLSA-N 2 0 304.453 3.987 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cncc(F)c1 ZINC000123051878 1032632743 /nfs/dbraw/zinc/63/27/43/1032632743.db2.gz DFBBAZBMYOSDDM-OAHLLOKOSA-N 2 0 313.420 3.667 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425363540 1012490443 /nfs/dbraw/zinc/49/04/43/1012490443.db2.gz WPHHJLMEXJYPJQ-OQIJWPOYSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2CC(F)(F)F)CCN1C ZINC000638115172 1012547132 /nfs/dbraw/zinc/54/71/32/1012547132.db2.gz AZEHUGRVUVWLGB-BBRMVZONSA-N 2 0 314.395 3.706 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436284344 1012708666 /nfs/dbraw/zinc/70/86/66/1012708666.db2.gz NHAPQDDAPKLYHV-WDSOQIARSA-N 2 0 308.510 3.578 20 0 DHADRP Clc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167960812 1012745791 /nfs/dbraw/zinc/74/57/91/1012745791.db2.gz DQPQALWQPWFNFK-YQQQUEKLSA-N 2 0 318.892 3.878 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000516877772 1012856112 /nfs/dbraw/zinc/85/61/12/1012856112.db2.gz LZNDKGGKMJUWMF-LEWJYISDSA-N 2 0 324.468 3.763 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]CCC(F)(F)F)[C@H]1c1ccccc1 ZINC000367483086 1012871241 /nfs/dbraw/zinc/87/12/41/1012871241.db2.gz KNRXQGPGNHYPSY-HUUCEWRRSA-N 2 0 300.368 3.612 20 0 DHADRP CC(C)C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccs1 ZINC000638404821 1012888813 /nfs/dbraw/zinc/88/88/13/1012888813.db2.gz NAXTUDKVOOYKFP-MRXNPFEDSA-N 2 0 324.534 3.660 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425941597 1012984166 /nfs/dbraw/zinc/98/41/66/1012984166.db2.gz CBDNLEDEVQUAJF-KGLIPLIRSA-N 2 0 317.502 3.967 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000425945890 1012991931 /nfs/dbraw/zinc/99/19/31/1012991931.db2.gz MNYKEHPCMDEADM-KBPBESRZSA-N 2 0 312.885 3.976 20 0 DHADRP CC[C@H](OCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558805 1017110333 /nfs/dbraw/zinc/11/03/33/1017110333.db2.gz JOPDUASCNYTHBK-MSOLQXFVSA-N 2 0 304.478 3.617 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000475291435 1017121095 /nfs/dbraw/zinc/12/10/95/1017121095.db2.gz OMCZJKKOZOVIBV-QYZOEREBSA-N 2 0 318.530 3.628 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000475291432 1017121188 /nfs/dbraw/zinc/12/11/88/1017121188.db2.gz OMCZJKKOZOVIBV-FHWLQOOXSA-N 2 0 318.530 3.628 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000475335356 1017150936 /nfs/dbraw/zinc/15/09/36/1017150936.db2.gz REBFUJDKQBKYJJ-HYEGPXJVSA-N 2 0 304.453 3.782 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)cc1 ZINC000153013224 1017153094 /nfs/dbraw/zinc/15/30/94/1017153094.db2.gz OPRFFLYCUDBUOJ-KBPBESRZSA-N 2 0 323.444 3.634 20 0 DHADRP CC(C)COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623656283 1017156167 /nfs/dbraw/zinc/15/61/67/1017156167.db2.gz RFDJVIFDERJBST-GOSISDBHSA-N 2 0 304.478 3.543 20 0 DHADRP CC(C)COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623656284 1017156425 /nfs/dbraw/zinc/15/64/25/1017156425.db2.gz RFDJVIFDERJBST-SFHVURJKSA-N 2 0 304.478 3.543 20 0 DHADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623718158 1017207159 /nfs/dbraw/zinc/20/71/59/1017207159.db2.gz YBXCRONVJWPULM-HNNXBMFYSA-N 2 0 317.452 3.620 20 0 DHADRP C[C@@H]1CC([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064654 1017216916 /nfs/dbraw/zinc/21/69/16/1017216916.db2.gz RAZWXSWOYASTPU-NGTQAZIISA-N 2 0 316.464 3.575 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756708 1017300056 /nfs/dbraw/zinc/30/00/56/1017300056.db2.gz OIUWHHFGOJRXOW-HLIPFELVSA-N 2 0 315.505 3.813 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756734 1017300983 /nfs/dbraw/zinc/30/09/83/1017300983.db2.gz OIUWHHFGOJRXOW-MBOZVWFJSA-N 2 0 315.505 3.813 20 0 DHADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716635415 1032698019 /nfs/dbraw/zinc/69/80/19/1032698019.db2.gz FSLJDPPWNJMEBJ-XSLAGTTESA-N 2 0 320.427 3.674 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623862134 1017538131 /nfs/dbraw/zinc/53/81/31/1017538131.db2.gz MZDICDQDHARDMP-APWZRJJASA-N 2 0 304.478 3.574 20 0 DHADRP C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1(F)F ZINC000716731676 1032706263 /nfs/dbraw/zinc/70/62/63/1032706263.db2.gz MFLAZAWFWCLGOY-XWTMOSNGSA-N 2 0 320.427 3.674 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(C)ccc1C ZINC000623891362 1017571846 /nfs/dbraw/zinc/57/18/46/1017571846.db2.gz KNNOGKZVCQKLAB-QUCCMNQESA-N 2 0 318.505 3.581 20 0 DHADRP CC(C)C(C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000657613851 1017582452 /nfs/dbraw/zinc/58/24/52/1017582452.db2.gz UEUYNQXDEOBZBN-UHFFFAOYSA-N 2 0 317.521 3.811 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000925157707 1017598990 /nfs/dbraw/zinc/59/89/90/1017598990.db2.gz SZIGJXQCHFXMBJ-MRXNPFEDSA-N 2 0 318.505 3.687 20 0 DHADRP C[C@H]([NH2+]CC1CCc2ccccc2CC1)C1CC[NH+](C)CC1 ZINC000624039132 1017653378 /nfs/dbraw/zinc/65/33/78/1017653378.db2.gz BVWTWIMMJWUKFU-INIZCTEOSA-N 2 0 300.490 3.502 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119693 1017691208 /nfs/dbraw/zinc/69/12/08/1017691208.db2.gz HGLUCZKRVMLQFH-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000624120458 1017691298 /nfs/dbraw/zinc/69/12/98/1017691298.db2.gz ZNCHVWLLTTYABJ-ZIAGYGMSSA-N 2 0 312.404 3.671 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)CC1 ZINC000624146095 1017707678 /nfs/dbraw/zinc/70/76/78/1017707678.db2.gz RBHPFISQQJYJGQ-UAPYVXQJSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000624146580 1017711102 /nfs/dbraw/zinc/71/11/02/1017711102.db2.gz CJHVNDICSOMJSC-WAPOTWQKSA-N 2 0 322.537 3.823 20 0 DHADRP CSC1(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000356172326 1017801049 /nfs/dbraw/zinc/80/10/49/1017801049.db2.gz VDGPCOVIEPDYID-UHFFFAOYSA-N 2 0 318.530 3.774 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)cc1 ZINC000657714248 1017933968 /nfs/dbraw/zinc/93/39/68/1017933968.db2.gz SUWXOWSEAYAEGE-NHCUHLMSSA-N 2 0 324.468 3.663 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000564411066 1017957688 /nfs/dbraw/zinc/95/76/88/1017957688.db2.gz JLVXWEPXWGMVOT-UHFFFAOYSA-N 2 0 320.424 3.979 20 0 DHADRP CCOC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000091678370 1017987917 /nfs/dbraw/zinc/98/79/17/1017987917.db2.gz JOPYSWMGHLOCCQ-UHFFFAOYSA-N 2 0 318.505 3.646 20 0 DHADRP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])on2)cc1 ZINC000404354203 1018005568 /nfs/dbraw/zinc/00/55/68/1018005568.db2.gz KOGZBTDCOVJVPO-KXBFYZLASA-N 2 0 313.445 3.599 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC2(c3ccccc3OC)CCC2)CC1 ZINC000183958899 1018054398 /nfs/dbraw/zinc/05/43/98/1018054398.db2.gz KUDPVZYFFAUMOX-UHFFFAOYSA-N 2 0 316.489 3.581 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172873212 1033444643 /nfs/dbraw/zinc/44/46/43/1033444643.db2.gz ROWIXRNIRQCYEV-CYBMUJFWSA-N 2 0 300.849 3.684 20 0 DHADRP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673833 1018124864 /nfs/dbraw/zinc/12/48/64/1018124864.db2.gz WRCNZGWKBCARQY-RDJZCZTQSA-N 2 0 304.453 3.877 20 0 DHADRP CCN(Cc1ccc(C)cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000154181117 1018128797 /nfs/dbraw/zinc/12/87/97/1018128797.db2.gz OOFMSPAZOKHUER-HXUWFJFHSA-N 2 0 323.484 3.734 20 0 DHADRP CC(C)C(C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)C ZINC000193340444 1018138701 /nfs/dbraw/zinc/13/87/01/1018138701.db2.gz UTCUOZQQPOBIQB-XLIONFOSSA-N 2 0 317.521 3.810 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000380913136 1018210194 /nfs/dbraw/zinc/21/01/94/1018210194.db2.gz OHDPIZGKHNCUAS-BWPNAZKDSA-N 2 0 300.490 3.923 20 0 DHADRP CC(C)C[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccncc1 ZINC000647282055 1018234772 /nfs/dbraw/zinc/23/47/72/1018234772.db2.gz WHXVMGPJFBNVNP-LJQANCHMSA-N 2 0 303.494 3.879 20 0 DHADRP CCc1ccc(-c2ccc(C[NH2+]CCCC[NH+](C)C)o2)cc1 ZINC000525289989 1018234789 /nfs/dbraw/zinc/23/47/89/1018234789.db2.gz UIAZAEMIYYVWIX-UHFFFAOYSA-N 2 0 300.446 3.940 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000446834270 1018264793 /nfs/dbraw/zinc/26/47/93/1018264793.db2.gz GMIRBNRZUHPBJG-FQEVSTJZSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)C[NH+](C)C ZINC000394441227 1018276516 /nfs/dbraw/zinc/27/65/16/1018276516.db2.gz NCWNOYXHYFJTLW-KRWDZBQOSA-N 2 0 312.457 3.553 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC2CCC1CC2 ZINC000381891863 1018286193 /nfs/dbraw/zinc/28/61/93/1018286193.db2.gz LLSAKMDDZDTAPQ-FLAIETJXSA-N 2 0 313.489 3.855 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885874 1018288610 /nfs/dbraw/zinc/28/86/10/1018288610.db2.gz ZASQMZJHCLFYHU-UHFFFAOYSA-N 2 0 324.468 3.812 20 0 DHADRP Fc1ccc2oc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2c1 ZINC000446884467 1018289517 /nfs/dbraw/zinc/28/95/17/1018289517.db2.gz OUJAYJOIHLIHFF-UHFFFAOYSA-N 2 0 302.393 3.536 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658222061 1018294473 /nfs/dbraw/zinc/29/44/73/1018294473.db2.gz UKBJJZABCBVZQF-PVAVHDDUSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381987223 1018294542 /nfs/dbraw/zinc/29/45/42/1018294542.db2.gz XBHAZCRTLCXWBN-SZMVWBNQSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000764773416 1018373547 /nfs/dbraw/zinc/37/35/47/1018373547.db2.gz HZZCDECRYNILTN-CVEARBPZSA-N 2 0 316.445 3.502 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc2n(n1)CCCC2 ZINC000647288824 1018406921 /nfs/dbraw/zinc/40/69/21/1018406921.db2.gz QKYZBTTZPULCNF-KRWDZBQOSA-N 2 0 318.509 3.526 20 0 DHADRP c1ccc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000383592802 1018419521 /nfs/dbraw/zinc/41/95/21/1018419521.db2.gz OFHJGHKXRBDEKO-VXKWHMMOSA-N 2 0 320.480 3.683 20 0 DHADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447566428 1018428094 /nfs/dbraw/zinc/42/80/94/1018428094.db2.gz SXEQFFXEFFEKDY-HXUWFJFHSA-N 2 0 300.490 3.718 20 0 DHADRP C[C@H](C[NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000447822969 1018479352 /nfs/dbraw/zinc/47/93/52/1018479352.db2.gz SDSBTAOMRPKXLV-QGZVFWFLSA-N 2 0 312.457 3.520 20 0 DHADRP Cc1nccn1CCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000765141108 1018484091 /nfs/dbraw/zinc/48/40/91/1018484091.db2.gz KDVYMHALMACPOJ-LBPRGKRZSA-N 2 0 300.431 3.542 20 0 DHADRP FC1(F)CC(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000566561502 1018499824 /nfs/dbraw/zinc/49/98/24/1018499824.db2.gz RMANIOLZNQXVDP-KRWDZBQOSA-N 2 0 320.427 3.819 20 0 DHADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000447899099 1018500138 /nfs/dbraw/zinc/50/01/38/1018500138.db2.gz QJPOEFPPHGNJLH-MJBXVCDLSA-N 2 0 306.416 3.818 20 0 DHADRP COc1ccc([C@@H](C)C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC000447899550 1018500505 /nfs/dbraw/zinc/50/05/05/1018500505.db2.gz UIYHZDIDAYGKRD-MAUKXSAKSA-N 2 0 304.478 3.509 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635009660 1018511630 /nfs/dbraw/zinc/51/16/30/1018511630.db2.gz JTHWLWMKZLNHSM-IBGZPJMESA-N 2 0 312.844 3.763 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cnc2ccsc2c1 ZINC000635010826 1018511738 /nfs/dbraw/zinc/51/17/38/1018511738.db2.gz NBELXYMTKHAVMN-ZDUSSCGKSA-N 2 0 323.465 3.793 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000650712335 1018543896 /nfs/dbraw/zinc/54/38/96/1018543896.db2.gz AWIFMPWAEIBSQV-UHFFFAOYSA-N 2 0 304.434 3.773 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC000926920006 1032772437 /nfs/dbraw/zinc/77/24/37/1032772437.db2.gz TYKZTALESCIUBR-VBSBHUPXSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1nccnc1[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000527349125 1018552763 /nfs/dbraw/zinc/55/27/63/1018552763.db2.gz JRVVRUJUWKWBMB-QGZVFWFLSA-N 2 0 324.472 3.622 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718056 1018562162 /nfs/dbraw/zinc/56/21/62/1018562162.db2.gz WDMQCINATVKLTE-LBPRGKRZSA-N 2 0 306.812 3.659 20 0 DHADRP CC(C)CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000675739998 1018570295 /nfs/dbraw/zinc/57/02/95/1018570295.db2.gz ZPYPLADCRRJFOL-MJGOQNOKSA-N 2 0 323.569 3.595 20 0 DHADRP Cc1occc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771993 1018574960 /nfs/dbraw/zinc/57/49/60/1018574960.db2.gz IKRNYYLHUGQURU-FQEVSTJZSA-N 2 0 324.468 3.980 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1Cl ZINC000650723120 1018577441 /nfs/dbraw/zinc/57/74/41/1018577441.db2.gz HRJAWUGWUKHBGR-KBAYOESNSA-N 2 0 322.880 3.509 20 0 DHADRP C[C@H]([NH2+]CCc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000675745202 1018577567 /nfs/dbraw/zinc/57/75/67/1018577567.db2.gz HCOZTBMKDWNOPL-INIZCTEOSA-N 2 0 302.506 3.847 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675771250 1018585763 /nfs/dbraw/zinc/58/57/63/1018585763.db2.gz PISMEHVUFBKHCQ-ZDUSSCGKSA-N 2 0 304.409 3.700 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)C2 ZINC001171556221 1032774775 /nfs/dbraw/zinc/77/47/75/1032774775.db2.gz IKSVLLHYFLENQZ-WAOWUJCRSA-N 2 0 314.517 3.986 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C2 ZINC001171553447 1032775020 /nfs/dbraw/zinc/77/50/20/1032775020.db2.gz QSACIDGIMNMLKJ-IEBWSBKVSA-N 2 0 300.490 3.706 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278356231 1018604737 /nfs/dbraw/zinc/60/47/37/1018604737.db2.gz CNUYYXCHFLAMJA-HNNXBMFYSA-N 2 0 302.462 3.529 20 0 DHADRP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100636 1018625175 /nfs/dbraw/zinc/62/51/75/1018625175.db2.gz JEOYTVJKLXKBRN-LPHOPBHVSA-N 2 0 304.478 3.858 20 0 DHADRP Fc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000650740706 1018630109 /nfs/dbraw/zinc/63/01/09/1018630109.db2.gz OUKBKBCQMXHOLX-KFKAGJAMSA-N 2 0 316.464 3.758 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2C)[C@@H](C)C1 ZINC000675905750 1018630499 /nfs/dbraw/zinc/63/04/99/1018630499.db2.gz AFMVIBBOXQPGHG-OKYOBFRVSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(Br)c1 ZINC000650743470 1018634990 /nfs/dbraw/zinc/63/49/90/1018634990.db2.gz UCNCDFRPQNQLPB-AWEZNQCLSA-N 2 0 311.267 3.619 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000675930576 1018635681 /nfs/dbraw/zinc/63/56/81/1018635681.db2.gz WFQHALTVZNXSMB-YDHLFZDLSA-N 2 0 306.416 3.675 20 0 DHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000650742791 1018637014 /nfs/dbraw/zinc/63/70/14/1018637014.db2.gz DOJBNWRUWPIBKQ-SECBINFHSA-N 2 0 305.224 3.912 20 0 DHADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000650742792 1018637338 /nfs/dbraw/zinc/63/73/38/1018637338.db2.gz DOJBNWRUWPIBKQ-VIFPVBQESA-N 2 0 305.224 3.912 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CCC3(C[NH3+])CC3)c(C)c2c1 ZINC000650743886 1018639344 /nfs/dbraw/zinc/63/93/44/1018639344.db2.gz AZJLHTHUUKLEFW-CYBMUJFWSA-N 2 0 302.418 3.529 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650745600 1018642041 /nfs/dbraw/zinc/64/20/41/1018642041.db2.gz KHFSLDLDFGJASY-KRWDZBQOSA-N 2 0 302.462 3.742 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CC2)cc1 ZINC000650753456 1018673543 /nfs/dbraw/zinc/67/35/43/1018673543.db2.gz NMQWMZOKCKVXHS-HXUWFJFHSA-N 2 0 312.432 3.704 20 0 DHADRP CN1CC[C@@H]2CC[N@H+](CCc3ccc(C(C)(C)C)cc3)[C@H]2C1 ZINC000583784828 1018680132 /nfs/dbraw/zinc/68/01/32/1018680132.db2.gz WTPBZLVEPMZEIK-MJGOQNOKSA-N 2 0 300.490 3.553 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000650757323 1018687795 /nfs/dbraw/zinc/68/77/95/1018687795.db2.gz UPNXRQOOGBQIMW-CYBMUJFWSA-N 2 0 300.471 3.807 20 0 DHADRP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762582 1018708583 /nfs/dbraw/zinc/70/85/83/1018708583.db2.gz FESPTPAUDCKDGU-AEFFLSMTSA-N 2 0 306.881 3.955 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000315457384 1032781178 /nfs/dbraw/zinc/78/11/78/1032781178.db2.gz XBPOJOPKEJGVML-IRXDYDNUSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCSC(F)(F)F)CC2)C1 ZINC000765238084 1018727031 /nfs/dbraw/zinc/72/70/31/1018727031.db2.gz BVCHTTIINKQWPF-OCCSQVGLSA-N 2 0 324.456 3.872 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000765246519 1018729010 /nfs/dbraw/zinc/72/90/10/1018729010.db2.gz UIYNTBHQXJCERU-TZMCWYRMSA-N 2 0 324.456 3.872 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000315457383 1032781422 /nfs/dbraw/zinc/78/14/22/1032781422.db2.gz XBPOJOPKEJGVML-IAGOWNOFSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000765404339 1018777439 /nfs/dbraw/zinc/77/74/39/1018777439.db2.gz DCQFRAVJBDFWGH-PXTPFGJHSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1cccc2c1CC[C@H]([N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171558927 1032781362 /nfs/dbraw/zinc/78/13/62/1032781362.db2.gz QQJAFARPLUUTBI-UFYCRDLUSA-N 2 0 312.501 3.834 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000765450144 1018789388 /nfs/dbraw/zinc/78/93/88/1018789388.db2.gz MDSADXULPSULMS-NEPJUHHUSA-N 2 0 302.434 3.992 20 0 DHADRP Fc1cc(Cl)cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812813 1018809828 /nfs/dbraw/zinc/80/98/28/1018809828.db2.gz FSMUEEWIYMFOTD-UHFFFAOYSA-N 2 0 310.844 3.691 20 0 DHADRP COCCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000282152439 1018824288 /nfs/dbraw/zinc/82/42/88/1018824288.db2.gz CTOIKTZSLXZHDJ-IBGZPJMESA-N 2 0 322.468 3.756 20 0 DHADRP c1ccc(CN2CCC([NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657818935 1018858166 /nfs/dbraw/zinc/85/81/66/1018858166.db2.gz YZFSTINNKIPGMW-KRWDZBQOSA-N 2 0 304.503 3.526 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000584021304 1018866543 /nfs/dbraw/zinc/86/65/43/1018866543.db2.gz OQVXYDBGBBNXMM-DCKQQPRJSA-N 2 0 302.437 3.503 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993767 1032792188 /nfs/dbraw/zinc/79/21/88/1032792188.db2.gz HVCTYPJIQYKJAL-OAHLLOKOSA-N 2 0 312.379 3.778 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(Cl)cc1Cl ZINC000151543439 1018900241 /nfs/dbraw/zinc/90/02/41/1018900241.db2.gz OCEVEMLAOGGFRG-JRPNMDOOSA-N 2 0 301.261 3.812 20 0 DHADRP Cn1ccc2ccc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cc21 ZINC001171630129 1032793977 /nfs/dbraw/zinc/79/39/77/1032793977.db2.gz KCNSZSBUTRUVJE-UHFFFAOYSA-N 2 0 313.489 3.919 20 0 DHADRP CCOC1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000657824382 1018918006 /nfs/dbraw/zinc/91/80/06/1018918006.db2.gz QFYWNFVHWFQPPP-UHFFFAOYSA-N 2 0 316.489 3.720 20 0 DHADRP COc1ccc(C[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171632385 1032794534 /nfs/dbraw/zinc/79/45/34/1032794534.db2.gz ZBCKTEQFADOWPP-UHFFFAOYSA-N 2 0 304.478 3.778 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657826347 1018931023 /nfs/dbraw/zinc/93/10/23/1018931023.db2.gz IINLFWPPZYRQGI-GOSISDBHSA-N 2 0 306.519 3.904 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000656199104 1018944404 /nfs/dbraw/zinc/94/44/04/1018944404.db2.gz MGBKXTSVCQNQMB-TUUVXOQKSA-N 2 0 323.278 3.555 20 0 DHADRP Clc1scc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1Cl ZINC000666993927 1032798397 /nfs/dbraw/zinc/79/83/97/1032798397.db2.gz ULCNXMRWRGEVDV-JTQLQIEISA-N 2 0 305.274 3.819 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657834153 1019013210 /nfs/dbraw/zinc/01/32/10/1019013210.db2.gz JPSKMOAYHCKLHG-DOTOQJQBSA-N 2 0 306.881 3.735 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(C(F)(F)F)CCCC2)CC1 ZINC000624272716 1019018154 /nfs/dbraw/zinc/01/81/54/1019018154.db2.gz OYKQPMBQRBRVEG-UHFFFAOYSA-N 2 0 306.416 3.962 20 0 DHADRP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccn1 ZINC000159215868 1019027275 /nfs/dbraw/zinc/02/72/75/1019027275.db2.gz IQWICDNRGVDTLU-MPGHIAIKSA-N 2 0 315.486 3.877 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168692678 1019061605 /nfs/dbraw/zinc/06/16/05/1019061605.db2.gz RWDCJPAUCYOVHC-GDBMZVCRSA-N 2 0 306.881 3.661 20 0 DHADRP Cc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc(C)c1O ZINC000584318618 1019088171 /nfs/dbraw/zinc/08/81/71/1019088171.db2.gz SAWCZDYBFQJFQB-UHFFFAOYSA-N 2 0 304.478 3.611 20 0 DHADRP C[C@@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CC(C)(C)CC[NH3+] ZINC001171625955 1032807010 /nfs/dbraw/zinc/80/70/10/1032807010.db2.gz PYXFYIYHXBZCEJ-OAHLLOKOSA-N 3 0 311.558 3.629 20 0 DHADRP CSC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000309709247 1019104617 /nfs/dbraw/zinc/10/46/17/1019104617.db2.gz IQGFYJHSWUJVDT-SFHVURJKSA-N 2 0 318.530 3.774 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)CC2CCCCC2)CC1(C)C ZINC001171623239 1032808629 /nfs/dbraw/zinc/80/86/29/1032808629.db2.gz PYJIDSRJJQBMHG-INIZCTEOSA-N 2 0 310.526 3.559 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657843114 1019128037 /nfs/dbraw/zinc/12/80/37/1019128037.db2.gz FACGVYANTZIALI-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP Cc1csc([C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923323138 1019131421 /nfs/dbraw/zinc/13/14/21/1019131421.db2.gz CTCBUAMSKOTDTN-YNBOMUFVSA-N 2 0 319.518 3.552 20 0 DHADRP CS[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000921962275 1019224139 /nfs/dbraw/zinc/22/41/39/1019224139.db2.gz XDRGUXGAYFLHBF-FUHWJXTLSA-N 2 0 319.518 3.562 20 0 DHADRP CC[N@H+](CC[C@@H]1CCCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062865 1019280550 /nfs/dbraw/zinc/28/05/50/1019280550.db2.gz JMRLXLVSCPYZBU-IBGZPJMESA-N 2 0 304.478 3.529 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC000347679332 1019288637 /nfs/dbraw/zinc/28/86/37/1019288637.db2.gz NLOMGNBZXQYJCY-HOTGVXAUSA-N 2 0 320.477 3.537 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@H](C)C1 ZINC000624307307 1019290606 /nfs/dbraw/zinc/29/06/06/1019290606.db2.gz GWDYACNXIWNMCZ-CZUORRHYSA-N 2 0 314.395 3.611 20 0 DHADRP Cc1noc(C)c1[C@H](C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090763825 1019414294 /nfs/dbraw/zinc/41/42/94/1019414294.db2.gz NFDUSKHPXVYGGH-CQSZACIVSA-N 2 0 319.493 3.782 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1(C)C ZINC001171637936 1032833563 /nfs/dbraw/zinc/83/35/63/1032833563.db2.gz SZGOJDAHQPJGEL-QGZVFWFLSA-N 2 0 301.478 3.870 20 0 DHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H](C)CCc3ccc(C)cc3)C[C@H]2C1 ZINC001171682441 1032834412 /nfs/dbraw/zinc/83/44/12/1032834412.db2.gz VPTCSQYTOCWIAX-DFQSSKMNSA-N 2 0 300.490 3.590 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cn2)c1 ZINC000092739793 1019534965 /nfs/dbraw/zinc/53/49/65/1019534965.db2.gz GTRCEAHVMMKVDE-OAHLLOKOSA-N 2 0 315.436 3.913 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092766910 1019547477 /nfs/dbraw/zinc/54/74/77/1019547477.db2.gz LAQGRXPFCSSUAB-HNNXBMFYSA-N 2 0 307.457 3.629 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000166135974 1019774023 /nfs/dbraw/zinc/77/40/23/1019774023.db2.gz TWWISPRRGCSDIQ-HZPDHXFCSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H](c1cccnc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079879877 1019785395 /nfs/dbraw/zinc/78/53/95/1019785395.db2.gz CZJDDLHGPKJSMB-KRWDZBQOSA-N 2 0 301.478 3.731 20 0 DHADRP CC[N@H+](CCCC1CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456730 1019834612 /nfs/dbraw/zinc/83/46/12/1019834612.db2.gz QNLBYUXJYYPRGG-UHFFFAOYSA-N 2 0 318.505 3.777 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000685463076 1019844855 /nfs/dbraw/zinc/84/48/55/1019844855.db2.gz BXMIPNDRLNSDQT-FQEVSTJZSA-N 2 0 300.490 3.974 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1cc2ccncc2s1 ZINC000657892589 1019872837 /nfs/dbraw/zinc/87/28/37/1019872837.db2.gz CSRNAGZQCCXKIO-OCCSQVGLSA-N 2 0 312.442 3.721 20 0 DHADRP Cc1ccc(C[NH+]2CCCC2)cc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892396523 1019878941 /nfs/dbraw/zinc/87/89/41/1019878941.db2.gz PETHHLWLNVKZNT-YQQQUEKLSA-N 2 0 313.489 3.628 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000858357981 1032859824 /nfs/dbraw/zinc/85/98/24/1032859824.db2.gz LLJGZTXJUTZFRQ-QFBILLFUSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@H+](Cc1c(Cl)cccc1OC(F)F)C1CCC([NH3+])CC1 ZINC000843055751 1019936106 /nfs/dbraw/zinc/93/61/06/1019936106.db2.gz ONLFRHIOKPICKI-UHFFFAOYSA-N 2 0 318.795 3.643 20 0 DHADRP CC[NH+](CC)C[C@H](C)Nc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000479965456 1019949531 /nfs/dbraw/zinc/94/95/31/1019949531.db2.gz WBNRNBIATXURBL-LBPRGKRZSA-N 2 0 305.397 3.525 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCn2ccc3cc(Cl)ccc32)CC1 ZINC000671765016 1020011217 /nfs/dbraw/zinc/01/12/17/1020011217.db2.gz LODQEXIICLTPDH-UHFFFAOYSA-N 2 0 319.880 3.759 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657966754 1020042386 /nfs/dbraw/zinc/04/23/86/1020042386.db2.gz IUSBKTCWHZJKLG-WDSOQIARSA-N 2 0 318.530 3.772 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000658020866 1020093967 /nfs/dbraw/zinc/09/39/67/1020093967.db2.gz ZXYDVMYJMJXGCA-GJZGRUSLSA-N 2 0 303.837 3.531 20 0 DHADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070768 1020128435 /nfs/dbraw/zinc/12/84/35/1020128435.db2.gz QACFEKIWKAKDGR-HQRMLTQVSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H](C[NH2+][C@@H](CCN(C)C)c1cccnc1)c1ccc(F)cc1 ZINC000922627836 1020175461 /nfs/dbraw/zinc/17/54/61/1020175461.db2.gz NMAZZKXWWONOIR-KXBFYZLASA-N 2 0 315.436 3.607 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390580864 1020210055 /nfs/dbraw/zinc/21/00/55/1020210055.db2.gz ZNUDIUBRIYNBIF-HXUWFJFHSA-N 2 0 312.432 3.888 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000765800609 1020222228 /nfs/dbraw/zinc/22/22/28/1020222228.db2.gz LCIDYTBUYLXDPP-WZOJCFFYSA-N 2 0 322.537 3.965 20 0 DHADRP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1(F)F ZINC000658216253 1020244830 /nfs/dbraw/zinc/24/48/30/1020244830.db2.gz ATTSJXXRPPKRGA-FJIDUMEYSA-N 2 0 320.427 3.817 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658281226 1020275205 /nfs/dbraw/zinc/27/52/05/1020275205.db2.gz OEDKSQJVJJCAFN-BMFZPTHFSA-N 2 0 314.464 3.910 20 0 DHADRP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000658300062 1020288086 /nfs/dbraw/zinc/28/80/86/1020288086.db2.gz IZGGVDZNIYHTCZ-UXPWSPDFSA-N 2 0 300.490 3.921 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000658300059 1020288332 /nfs/dbraw/zinc/28/83/32/1020288332.db2.gz IZGGVDZNIYHTCZ-DBVUQKKJSA-N 2 0 300.490 3.921 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658325528 1020303932 /nfs/dbraw/zinc/30/39/32/1020303932.db2.gz OMWKKJIODYHVQX-MJGOQNOKSA-N 2 0 312.457 3.712 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000922846903 1020304305 /nfs/dbraw/zinc/30/43/05/1020304305.db2.gz GVIBJFSMJPNSAI-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000922847410 1020306878 /nfs/dbraw/zinc/30/68/78/1020306878.db2.gz OYPFYWAPSMZQRU-RQOWECAXSA-N 2 0 302.437 3.836 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848500 1020307168 /nfs/dbraw/zinc/30/71/68/1020307168.db2.gz UUPXLLMKCRIFJR-YVMONPNESA-N 2 0 314.473 3.705 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000658356853 1020321979 /nfs/dbraw/zinc/32/19/79/1020321979.db2.gz PTNPPCNAFVTFOZ-CYBMUJFWSA-N 2 0 308.416 3.737 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(F)c1 ZINC000658358237 1020322897 /nfs/dbraw/zinc/32/28/97/1020322897.db2.gz ZHSFFBWXGIRUIJ-IBGZPJMESA-N 2 0 304.453 3.988 20 0 DHADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357377 1020323494 /nfs/dbraw/zinc/32/34/94/1020323494.db2.gz OEZBTZDDNQMMNC-MRXNPFEDSA-N 2 0 316.489 3.776 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655835228 1020409563 /nfs/dbraw/zinc/40/95/63/1020409563.db2.gz NDAOSVXHQHJMET-QWFCFKBJSA-N 2 0 323.484 3.513 20 0 DHADRP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000347941744 1020459920 /nfs/dbraw/zinc/45/99/20/1020459920.db2.gz NCUXOIWXRPJJSR-MRXNPFEDSA-N 2 0 318.530 3.904 20 0 DHADRP CCN1CCC([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000159317830 1020548312 /nfs/dbraw/zinc/54/83/12/1020548312.db2.gz FTFLDRZBZDOLBK-OAHLLOKOSA-N 2 0 310.894 3.951 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474879288 1020559445 /nfs/dbraw/zinc/55/94/45/1020559445.db2.gz NEKVTKHIVWNZRW-LRVUVFPRSA-N 2 0 304.400 3.595 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281032679 1020746349 /nfs/dbraw/zinc/74/63/49/1020746349.db2.gz GCYSZPASMRLMLG-NXHRZFHOSA-N 2 0 322.443 3.922 20 0 DHADRP C[N@@H+](Cc1ccc(SC(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000735871021 1020772730 /nfs/dbraw/zinc/77/27/30/1020772730.db2.gz UTTUHRSWDDPBMX-CQSZACIVSA-N 2 0 314.445 3.775 20 0 DHADRP CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000766227436 1020851904 /nfs/dbraw/zinc/85/19/04/1020851904.db2.gz VORCBAQWNVLAQL-UWWQBHOKSA-N 2 0 322.518 3.562 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3C[C@H]3C)CC2)cc1 ZINC000414076399 1020856249 /nfs/dbraw/zinc/85/62/49/1020856249.db2.gz OQWFPSIWIBVKQX-QINHECLXSA-N 2 0 316.489 3.541 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC000173231550 1020904842 /nfs/dbraw/zinc/90/48/42/1020904842.db2.gz FFLYLCXKODLINZ-IBGZPJMESA-N 2 0 302.462 3.537 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414123667 1020915707 /nfs/dbraw/zinc/91/57/07/1020915707.db2.gz OUTGSFRDNPOJSZ-AWEZNQCLSA-N 2 0 315.486 3.803 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cc(C)ccc1OC ZINC000414145392 1020937439 /nfs/dbraw/zinc/93/74/39/1020937439.db2.gz BBSBKAJEGREUDA-SFHVURJKSA-N 2 0 309.413 3.892 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCC2 ZINC000414163486 1020950971 /nfs/dbraw/zinc/95/09/71/1020950971.db2.gz GAZKTFLRSGLVJD-IBGZPJMESA-N 2 0 307.397 3.510 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414163608 1020951049 /nfs/dbraw/zinc/95/10/49/1020951049.db2.gz GOIYQBRGGLKANJ-YJYMSZOUSA-N 2 0 309.388 3.887 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414168563 1020956867 /nfs/dbraw/zinc/95/68/67/1020956867.db2.gz AMHMHQGTTKDHDO-YLJYHZDGSA-N 2 0 300.490 3.638 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000414169784 1020958219 /nfs/dbraw/zinc/95/82/19/1020958219.db2.gz BNJRWSUYUIMPDC-WMLDXEAASA-N 2 0 322.880 3.875 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccsc2S1 ZINC000414178579 1020964667 /nfs/dbraw/zinc/96/46/67/1020964667.db2.gz KSCYVKFYBVMAMR-GUTXKFCHSA-N 2 0 310.532 3.995 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000414198072 1020988923 /nfs/dbraw/zinc/98/89/23/1020988923.db2.gz VZWFLTULUYCUBJ-HNAYVOBHSA-N 2 0 311.473 3.867 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000613492888 1020999264 /nfs/dbraw/zinc/99/92/64/1020999264.db2.gz QOGLBMZNROHYHH-UHFFFAOYSA-N 2 0 322.468 3.648 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000716334261 1021011659 /nfs/dbraw/zinc/01/16/59/1021011659.db2.gz JFVJWZGQJKORPP-GFCCVEGCSA-N 2 0 301.261 3.656 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)OCC3CC3)CC2)C1 ZINC000414269503 1021047396 /nfs/dbraw/zinc/04/73/96/1021047396.db2.gz OPBXFGHWLNPWNI-QFBILLFUSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1nc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sc1C ZINC000892590852 1021051187 /nfs/dbraw/zinc/05/11/87/1021051187.db2.gz YCNYSFQIBYEYHK-KBPBESRZSA-N 2 0 309.523 3.608 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000414291357 1021063424 /nfs/dbraw/zinc/06/34/24/1021063424.db2.gz UEMXCSBPGIDWCC-BMGDILEWSA-N 2 0 308.441 3.558 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSc2ccccc2F)[C@H](C)C1 ZINC000175721783 1021069872 /nfs/dbraw/zinc/06/98/72/1021069872.db2.gz YDYPEVPPQLJOGE-GDBMZVCRSA-N 2 0 310.482 3.580 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000414316377 1021087605 /nfs/dbraw/zinc/08/76/05/1021087605.db2.gz UKCVQTWDOABRTD-HUUCEWRRSA-N 2 0 312.379 3.730 20 0 DHADRP CC1([NH3+])CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000647531403 1021122831 /nfs/dbraw/zinc/12/28/31/1021122831.db2.gz TZMMYORHRFCNQZ-UHFFFAOYSA-N 2 0 304.434 3.867 20 0 DHADRP CC1(C)C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC001171972212 1032956828 /nfs/dbraw/zinc/95/68/28/1032956828.db2.gz OIBNSTXPCPXQNB-ZWKOTPCHSA-N 2 0 316.489 3.587 20 0 DHADRP Fc1cccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000057889077 1021150393 /nfs/dbraw/zinc/15/03/93/1021150393.db2.gz DCSBCHLAVWKMPL-UHFFFAOYSA-N 2 0 304.453 3.914 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCS2 ZINC000187187928 1021170176 /nfs/dbraw/zinc/17/01/76/1021170176.db2.gz WZISUMPQUATZME-WBVHZDCISA-N 2 0 304.503 3.772 20 0 DHADRP CC1(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000423344297 1021181593 /nfs/dbraw/zinc/18/15/93/1021181593.db2.gz XOQUNVMPTQMTIB-AWEZNQCLSA-N 2 0 310.894 3.856 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000423387426 1021194575 /nfs/dbraw/zinc/19/45/75/1021194575.db2.gz MRLFZUCXZKCJBY-DFGXFYAUSA-N 2 0 320.452 3.720 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)[C@H](C)C1 ZINC000537984942 1032961563 /nfs/dbraw/zinc/96/15/63/1032961563.db2.gz NWLHVRFBNIRZHC-BTHPGYMESA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090941070 1021257117 /nfs/dbraw/zinc/25/71/17/1021257117.db2.gz FBQAHQIPHNBCND-KEYYUXOJSA-N 2 0 306.881 3.690 20 0 DHADRP CC[C@H]([NH2+]CCCCn1ccnc1C)c1cc(F)ccc1F ZINC000164618232 1021267910 /nfs/dbraw/zinc/26/79/10/1021267910.db2.gz TUVFGYFTFIGUSR-KRWDZBQOSA-N 2 0 307.388 3.991 20 0 DHADRP CC(C)(O)C(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978976 1032965167 /nfs/dbraw/zinc/96/51/67/1032965167.db2.gz JNUWSOGOZYYRGR-QGZVFWFLSA-N 2 0 318.505 3.569 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000537991621 1032965294 /nfs/dbraw/zinc/96/52/94/1032965294.db2.gz VUUWGNDZEUWJMQ-QFBILLFUSA-N 2 0 304.478 3.509 20 0 DHADRP CCC[N@H+](CC[C@@H](C)CCCC(C)(C)OC)C[C@H]1CC[NH2+]C1 ZINC001236828328 1021328147 /nfs/dbraw/zinc/32/81/47/1021328147.db2.gz IIFDATXZMVMJEQ-ROUUACIJSA-N 2 0 312.542 3.929 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000337406028 1032974388 /nfs/dbraw/zinc/97/43/88/1032974388.db2.gz SLHZYLUFFOJJBK-IBGZPJMESA-N 2 0 316.489 3.830 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+]C3CCCCCCC3)CC2)ccn1 ZINC000850362374 1021488164 /nfs/dbraw/zinc/48/81/64/1021488164.db2.gz MGZBAUUSSCINOF-UHFFFAOYSA-N 2 0 315.505 3.996 20 0 DHADRP CC(C)[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1F ZINC000643535420 1033464738 /nfs/dbraw/zinc/46/47/38/1033464738.db2.gz MDSCJWRHKKZPLT-HZPDHXFCSA-N 2 0 310.844 3.908 20 0 DHADRP Clc1cccc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1Cl ZINC001207439385 1021518183 /nfs/dbraw/zinc/51/81/83/1021518183.db2.gz RCNCLJNKLAAZNS-CYBMUJFWSA-N 2 0 313.272 3.782 20 0 DHADRP CCOC1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000850430522 1021527810 /nfs/dbraw/zinc/52/78/10/1021527810.db2.gz MBWVBHWJDQAFQL-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850433797 1021530239 /nfs/dbraw/zinc/53/02/39/1021530239.db2.gz QMUALWJLSOTFLZ-IAGOWNOFSA-N 2 0 316.489 3.783 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850433798 1021531513 /nfs/dbraw/zinc/53/15/13/1021531513.db2.gz QMUALWJLSOTFLZ-IRXDYDNUSA-N 2 0 316.489 3.783 20 0 DHADRP COCC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065581 1032988176 /nfs/dbraw/zinc/98/81/76/1032988176.db2.gz ONJKPPHOGPAEMC-REPLKXPHSA-N 2 0 316.489 3.587 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000850483760 1021558574 /nfs/dbraw/zinc/55/85/74/1021558574.db2.gz UAAPYNHATOHRMD-FQEVSTJZSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H](CC(C)(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850514908 1021573586 /nfs/dbraw/zinc/57/35/86/1021573586.db2.gz RVLXSUGZNZLUMT-INIZCTEOSA-N 2 0 303.494 3.708 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415011606 1021610719 /nfs/dbraw/zinc/61/07/19/1021610719.db2.gz WHQHMVODUUXLST-LEWJYISDSA-N 2 0 322.496 3.948 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415014540 1021613786 /nfs/dbraw/zinc/61/37/86/1021613786.db2.gz ZYENVDYCFFSDMT-OXJNMPFZSA-N 2 0 324.468 3.969 20 0 DHADRP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014396 1021615028 /nfs/dbraw/zinc/61/50/28/1021615028.db2.gz XAAYUCLSRHRBDF-UKBAYJJMSA-N 2 0 318.892 3.954 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCSCc1ccccc1)C2 ZINC001172106206 1033006354 /nfs/dbraw/zinc/00/63/54/1033006354.db2.gz NLYHHIZQYRPAEZ-BCDXTJNWSA-N 2 0 304.503 3.525 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000556584283 1021782272 /nfs/dbraw/zinc/78/22/72/1021782272.db2.gz SVDCZAXZPUAHAV-UFYCRDLUSA-N 2 0 300.490 3.779 20 0 DHADRP CCC1CC([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000556582496 1021782661 /nfs/dbraw/zinc/78/26/61/1021782661.db2.gz AJXGMYINJSPTDO-RPJSQAAISA-N 2 0 300.490 3.921 20 0 DHADRP CC[NH2+]CC1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000261666070 1021808193 /nfs/dbraw/zinc/80/81/93/1021808193.db2.gz GOACNXWAPXJPAW-UHFFFAOYSA-N 2 0 312.457 3.540 20 0 DHADRP Cc1ccc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)ccc2n1 ZINC000261934476 1021854660 /nfs/dbraw/zinc/85/46/60/1021854660.db2.gz TVTIRGWAZLTBHO-LJQANCHMSA-N 2 0 309.457 3.507 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000556867856 1021910418 /nfs/dbraw/zinc/91/04/18/1021910418.db2.gz AXNYABORASJRST-BZSNNMDCSA-N 2 0 318.892 3.834 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1Cl ZINC000556879022 1021921641 /nfs/dbraw/zinc/92/16/41/1021921641.db2.gz CXEVKPGOHXVEDE-USXIJHARSA-N 2 0 322.880 3.701 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000556877909 1021923268 /nfs/dbraw/zinc/92/32/68/1021923268.db2.gz HXKCTBSYOPUISB-AXDKOMKPSA-N 2 0 316.464 3.924 20 0 DHADRP Cc1cc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc2[nH]1 ZINC000556899081 1021934320 /nfs/dbraw/zinc/93/43/20/1021934320.db2.gz RZVRRAHLXFGBCU-UHFFFAOYSA-N 2 0 311.473 3.973 20 0 DHADRP C1CC1[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655788374 1021937650 /nfs/dbraw/zinc/93/76/50/1021937650.db2.gz IBEIZIQCGIDKOS-VQTJNVASSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000153063211 1021945144 /nfs/dbraw/zinc/94/51/44/1021945144.db2.gz WOOCNMOPMGGXJZ-AFYVEPGGSA-N 2 0 316.489 3.535 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccncc1Cl)C1CC1)C2 ZINC001172112386 1033019079 /nfs/dbraw/zinc/01/90/79/1033019079.db2.gz WHMONMHBAYHWLS-ZXFNITATSA-N 2 0 319.880 3.791 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CCC(F)(F)CC1)C2 ZINC001172118782 1033024749 /nfs/dbraw/zinc/02/47/49/1033024749.db2.gz SQQZJORFDNEBNM-PHZGNYQRSA-N 2 0 300.437 3.807 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C1CC[NH+](C)CC1 ZINC000387258452 1022056549 /nfs/dbraw/zinc/05/65/49/1022056549.db2.gz FESWMCUSLALDCC-CVEARBPZSA-N 2 0 300.490 3.946 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000387258454 1022057714 /nfs/dbraw/zinc/05/77/14/1022057714.db2.gz FESWMCUSLALDCC-HOTGVXAUSA-N 2 0 300.490 3.946 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCc4ccccc43)CC1)C2 ZINC001172120027 1033023764 /nfs/dbraw/zinc/02/37/64/1033023764.db2.gz IZCCHCVFHLCEAJ-ACDBMABISA-N 2 0 324.512 3.982 20 0 DHADRP Cc1ccc2c(c1)c1c(n2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH2+]C1 ZINC001172120139 1033024075 /nfs/dbraw/zinc/02/40/75/1033024075.db2.gz DDYBXHHTARUXPZ-BJWYYQGGSA-N 2 0 323.484 3.783 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccc(F)cc1)C2 ZINC001172119763 1033024096 /nfs/dbraw/zinc/02/40/96/1033024096.db2.gz HVNKLAGOAMTHQA-MANSERQUSA-N 2 0 302.437 3.978 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCF)cc1C[NH+]1CCCCC1 ZINC000183350204 1022115774 /nfs/dbraw/zinc/11/57/74/1022115774.db2.gz RTILWTUYAIUKPL-HNNXBMFYSA-N 2 0 308.441 3.691 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(CC)CC ZINC000766488845 1022125354 /nfs/dbraw/zinc/12/53/54/1022125354.db2.gz OWTPCVCNGCZPCL-RBUKOAKNSA-N 2 0 322.537 3.967 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C(C)(C)O1 ZINC000766514525 1022155950 /nfs/dbraw/zinc/15/59/50/1022155950.db2.gz YICKBPPRUABWLA-JCYILVPMSA-N 2 0 308.510 3.719 20 0 DHADRP CCCC[NH+](CCCC)CCNc1cccc2c1CC[C@@H]2[NH3+] ZINC001167734787 1022206644 /nfs/dbraw/zinc/20/66/44/1022206644.db2.gz MARUALLUAUISDC-SFHVURJKSA-N 2 0 303.494 3.947 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101312 1022248121 /nfs/dbraw/zinc/24/81/21/1022248121.db2.gz RBOXVOIROXSBKY-RDGPPVDQSA-N 2 0 302.437 3.882 20 0 DHADRP C[C@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000766585717 1022254123 /nfs/dbraw/zinc/25/41/23/1022254123.db2.gz RIUBEXLDSWNDSZ-YJBOKZPZSA-N 2 0 314.473 3.753 20 0 DHADRP Cc1ccc(CC(C)(C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169117326 1022259628 /nfs/dbraw/zinc/25/96/28/1022259628.db2.gz YJTTYGGZCSABTH-REPLKXPHSA-N 2 0 300.490 3.779 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C2CC2)ccc1OC ZINC000182231067 1022272078 /nfs/dbraw/zinc/27/20/78/1022272078.db2.gz PSYGHDOPIMFKEK-GJZGRUSLSA-N 2 0 304.478 3.986 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1c1ccccc1F)C2 ZINC001169142429 1022274451 /nfs/dbraw/zinc/27/44/51/1022274451.db2.gz UMVSJGSVKRVKQE-YYAJDYIMSA-N 2 0 302.437 3.978 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccc(Cl)cc3)C1)C2 ZINC001169145987 1022276949 /nfs/dbraw/zinc/27/69/49/1022276949.db2.gz NWMLQIKGESTZJB-DZJNRPSUSA-N 2 0 304.865 3.755 20 0 DHADRP CC[NH+]1CCC(n2c3ccccc3nc2[C@H]([NH3+])CC(C)C)CC1 ZINC001169232927 1022316338 /nfs/dbraw/zinc/31/63/38/1022316338.db2.gz INJXETHGJQFNBO-MRXNPFEDSA-N 2 0 314.477 3.739 20 0 DHADRP CN1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)C[C@@H]1c1ccccc1 ZINC000414325023 1022362547 /nfs/dbraw/zinc/36/25/47/1022362547.db2.gz CAXNJUHONBFOBZ-WOJBJXKFSA-N 2 0 323.484 3.784 20 0 DHADRP CC[NH+]1CCC(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC2)CC1 ZINC001172227272 1033049089 /nfs/dbraw/zinc/04/90/89/1033049089.db2.gz TUJJXYGSZGVRPB-IHWFROFDSA-N 2 0 320.521 3.530 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000155209311 1022378583 /nfs/dbraw/zinc/37/85/83/1022378583.db2.gz WCISFUUMLWUGKK-HOTGVXAUSA-N 2 0 306.519 3.880 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1SC ZINC000269079448 1022395038 /nfs/dbraw/zinc/39/50/38/1022395038.db2.gz OCJPLFFQDYPCEI-CWRNSKLLSA-N 2 0 322.518 3.941 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1(Cl)CC1 ZINC000695672169 1022438802 /nfs/dbraw/zinc/43/88/02/1022438802.db2.gz DTWAVZXCXUQORO-HNNXBMFYSA-N 2 0 306.881 3.648 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000237603371 1022457098 /nfs/dbraw/zinc/45/70/98/1022457098.db2.gz TZXLDDJZMPDBRY-SJORKVTESA-N 2 0 300.490 3.817 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000671099116 1022457084 /nfs/dbraw/zinc/45/70/84/1022457084.db2.gz VOPTZCIITZBUEA-IRXDYDNUSA-N 2 0 318.505 3.964 20 0 DHADRP COCCC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCC1 ZINC000925560121 1022474381 /nfs/dbraw/zinc/47/43/81/1022474381.db2.gz YONOMHXMOOZAAH-GOSISDBHSA-N 2 0 304.478 3.653 20 0 DHADRP Cc1cc(C)cc(OCCC[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000615462808 1022489987 /nfs/dbraw/zinc/48/99/87/1022489987.db2.gz YJRHBSHFDNELNE-UHFFFAOYSA-N 2 0 318.505 3.736 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001169683194 1022496896 /nfs/dbraw/zinc/49/68/96/1022496896.db2.gz JCZUJTZAIMIYEC-QZTJIDSGSA-N 2 0 322.456 3.746 20 0 DHADRP C[C@H](C[NH2+][C@H]1CSc2ccccc2C1)CC(C)(C)CC[NH3+] ZINC001172201130 1033059440 /nfs/dbraw/zinc/05/94/40/1033059440.db2.gz MILBXNWPTPMBCB-GOEBONIOSA-N 2 0 306.519 3.694 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000272682588 1022512577 /nfs/dbraw/zinc/51/25/77/1022512577.db2.gz VTYDDXXREXIJLB-NRFANRHFSA-N 2 0 322.452 3.636 20 0 DHADRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC(C)(C)CC[NH+](C)C ZINC001169715752 1022517361 /nfs/dbraw/zinc/51/73/61/1022517361.db2.gz GJYHQRYDAANXFT-UHFFFAOYSA-N 2 0 320.481 3.517 20 0 DHADRP CCc1nc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000157049359 1022517759 /nfs/dbraw/zinc/51/77/59/1022517759.db2.gz HJKGTNCOLDSSBS-UHFFFAOYSA-N 2 0 321.534 3.635 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CSc2ccccc2C1)CC(C)(C)CC[NH3+] ZINC001172201131 1033060894 /nfs/dbraw/zinc/06/08/94/1033060894.db2.gz MILBXNWPTPMBCB-HOCLYGCPSA-N 2 0 306.519 3.694 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000671109046 1022535623 /nfs/dbraw/zinc/53/56/23/1022535623.db2.gz UVRNTQQNARPDSX-KRWDZBQOSA-N 2 0 318.505 3.822 20 0 DHADRP CC[C@@H](C)C1CCC([NH2+]C2CC[NH+](CCCOC)CC2)CC1 ZINC001172247985 1033065724 /nfs/dbraw/zinc/06/57/24/1033065724.db2.gz SZGHNNLDOPFPJJ-WWDZGPRUSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000132795646 1033066509 /nfs/dbraw/zinc/06/65/09/1033066509.db2.gz WOAVHIZULMGZPI-YLJYHZDGSA-N 2 0 316.489 3.537 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000584720070 1022660708 /nfs/dbraw/zinc/66/07/08/1022660708.db2.gz RAIQAJTUXSQYQX-GXTWGEPZSA-N 2 0 315.288 3.985 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334841 1022692100 /nfs/dbraw/zinc/69/21/00/1022692100.db2.gz RURYCOWXPYXXAN-BSWAZPDLSA-N 2 0 304.503 3.847 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000584807368 1022758718 /nfs/dbraw/zinc/75/87/18/1022758718.db2.gz VTOJVZBOMFLZQD-DILQNVEWSA-N 2 0 308.416 3.673 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000584807369 1022760160 /nfs/dbraw/zinc/76/01/60/1022760160.db2.gz VTOJVZBOMFLZQD-JYXZGVCNSA-N 2 0 308.416 3.673 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccns1 ZINC000925609194 1022774708 /nfs/dbraw/zinc/77/47/08/1022774708.db2.gz QDEQYBFFSVQNQN-QQFBHYJXSA-N 2 0 307.507 3.837 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000768096347 1022880753 /nfs/dbraw/zinc/88/07/53/1022880753.db2.gz JEJFBKLKJFQPNK-QFBILLFUSA-N 2 0 316.489 3.784 20 0 DHADRP c1ccc2c(c1)cncc2C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000768302637 1022943227 /nfs/dbraw/zinc/94/32/27/1022943227.db2.gz JGXCREPTHRNPKX-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP Cc1cnc([C@H](C)C[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000925648707 1022947402 /nfs/dbraw/zinc/94/74/02/1022947402.db2.gz WZZQDRGPMQPCJZ-CJNGLKHVSA-N 2 0 303.475 3.625 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C12CCC2 ZINC000925654548 1022972233 /nfs/dbraw/zinc/97/22/33/1022972233.db2.gz FTADDZLVIPULQF-GWUWNPHMSA-N 2 0 308.828 3.527 20 0 DHADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000295297335 1022993851 /nfs/dbraw/zinc/99/38/51/1022993851.db2.gz JTLJJYARXKOCDF-QGZVFWFLSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768694387 1023007413 /nfs/dbraw/zinc/00/74/13/1023007413.db2.gz AZPSVWKYRLTMDD-ULPPNBSNSA-N 2 0 322.443 3.776 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1cc(OCC2CC2)cc[nH+]1 ZINC001167751808 1023030421 /nfs/dbraw/zinc/03/04/21/1023030421.db2.gz NUYYMFBZBXCZMI-HNNXBMFYSA-N 2 0 303.450 3.547 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCOc2ccccc2)cc1 ZINC000768826316 1023039658 /nfs/dbraw/zinc/03/96/58/1023039658.db2.gz OJITWHKWFCDEIA-UHFFFAOYSA-N 2 0 312.457 3.649 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249978013 1023067444 /nfs/dbraw/zinc/06/74/44/1023067444.db2.gz YHLALKJDDVPFLL-IHPCNDPISA-N 2 0 300.490 3.770 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000769028152 1023070644 /nfs/dbraw/zinc/07/06/44/1023070644.db2.gz DETLLVAAVJRIIG-JFRXWTBNSA-N 2 0 318.530 3.628 20 0 DHADRP C[C@@H]([NH3+])Cc1cn(C2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC001168359490 1033106898 /nfs/dbraw/zinc/10/68/98/1033106898.db2.gz ASVGHWZSOKUIHZ-OAHLLOKOSA-N 2 0 311.473 3.578 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000193980426 1023145913 /nfs/dbraw/zinc/14/59/13/1023145913.db2.gz GYKLXTKKLSPNPL-WDEREUQCSA-N 2 0 317.296 3.503 20 0 DHADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C)o1 ZINC000769514844 1023172189 /nfs/dbraw/zinc/17/21/89/1023172189.db2.gz OWIWTQJODGZBJP-UHFFFAOYSA-N 2 0 304.478 3.984 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000769868461 1023220932 /nfs/dbraw/zinc/22/09/32/1023220932.db2.gz AINNQLBOYUOMCK-ODIFPOPNSA-N 2 0 319.493 3.993 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c3cccnc23)CC1 ZINC000109786826 1023245857 /nfs/dbraw/zinc/24/58/57/1023245857.db2.gz NTDLLXQIRIWOIW-UHFFFAOYSA-N 2 0 315.436 3.680 20 0 DHADRP C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000825893046 1033124817 /nfs/dbraw/zinc/12/48/17/1033124817.db2.gz NEJFAQHQAYGDLK-OXJNMPFZSA-N 2 0 318.424 3.850 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCOc1ccc(Cl)cc1)C2 ZINC000660654331 1023364617 /nfs/dbraw/zinc/36/46/17/1023364617.db2.gz GSKCPTMVSVMJOE-SFHVURJKSA-N 2 0 322.880 3.527 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCSc1cccc(Cl)c1)C2 ZINC000660661383 1023366698 /nfs/dbraw/zinc/36/66/98/1023366698.db2.gz DGAVSXIPPJUKJK-KRWDZBQOSA-N 2 0 324.921 3.850 20 0 DHADRP CCc1nc(C(C)C)ccc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661121 1023367268 /nfs/dbraw/zinc/36/72/68/1023367268.db2.gz BSIPTYMYOZOCAP-FQEVSTJZSA-N 2 0 315.505 3.685 20 0 DHADRP COc1ccsc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001141320886 1023368432 /nfs/dbraw/zinc/36/84/32/1023368432.db2.gz LPLLDHMQOFOQIA-UHFFFAOYSA-N 2 0 320.502 3.597 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000925720790 1023428425 /nfs/dbraw/zinc/42/84/25/1023428425.db2.gz JUQMAZAICMMRGX-KBPBESRZSA-N 2 0 301.261 3.640 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172349370 1033131872 /nfs/dbraw/zinc/13/18/72/1033131872.db2.gz LSLBVAYNZYGXLP-QYZOEREBSA-N 2 0 322.537 3.990 20 0 DHADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(-c3ccccc3)cn2)C1 ZINC000651681515 1023456226 /nfs/dbraw/zinc/45/62/26/1023456226.db2.gz REJLSQYUWIDMAX-SJORKVTESA-N 2 0 309.457 3.741 20 0 DHADRP c1coc(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000661162519 1023503569 /nfs/dbraw/zinc/50/35/69/1023503569.db2.gz RUIFSTWPRJIJMC-UHFFFAOYSA-N 2 0 307.397 3.845 20 0 DHADRP CC[C@]1(C)CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000651748632 1023517942 /nfs/dbraw/zinc/51/79/42/1023517942.db2.gz RWMDXKWHSKSOAD-RTBURBONSA-N 2 0 301.478 3.856 20 0 DHADRP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000651758705 1023520727 /nfs/dbraw/zinc/52/07/27/1023520727.db2.gz KZHGMTLVEXGAGG-IKGGRYGDSA-N 2 0 310.526 3.680 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000538717383 1033142741 /nfs/dbraw/zinc/14/27/41/1033142741.db2.gz XNCSCBROGDHXDS-QAPCUYQASA-N 2 0 316.489 3.562 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)C[C@H]1C ZINC001172367141 1033146862 /nfs/dbraw/zinc/14/68/62/1033146862.db2.gz RDHYTGALTBFCOO-GGPKGHCWSA-N 2 0 322.537 3.636 20 0 DHADRP CC[C@@H](OCC[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000651908552 1023629482 /nfs/dbraw/zinc/62/94/82/1023629482.db2.gz HXSSEMKDCJDMGL-LJQANCHMSA-N 2 0 304.478 3.617 20 0 DHADRP CC(C[NH+]1CCC[C@H](CCF)C1)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661691296 1023689566 /nfs/dbraw/zinc/68/95/66/1023689566.db2.gz TWFWQAXNZPIEKI-QZTJIDSGSA-N 2 0 316.480 3.766 20 0 DHADRP FCC[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](CCF)C2)C1 ZINC000661688102 1023689757 /nfs/dbraw/zinc/68/97/57/1023689757.db2.gz BDCZHJXFMZOSGO-QZTJIDSGSA-N 2 0 316.480 3.910 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000652266586 1023724190 /nfs/dbraw/zinc/72/41/90/1023724190.db2.gz GVWAYPUTMXFMLA-CXAGYDPISA-N 2 0 320.452 3.748 20 0 DHADRP CCOCC[C@@H](C)[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172414546 1033159170 /nfs/dbraw/zinc/15/91/70/1033159170.db2.gz QRDZBISHUWVZSW-KBAYOESNSA-N 2 0 322.468 3.713 20 0 DHADRP C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000652326706 1023782992 /nfs/dbraw/zinc/78/29/92/1023782992.db2.gz LYURCBHGVCSFSV-OAHLLOKOSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347968 1023807241 /nfs/dbraw/zinc/80/72/41/1023807241.db2.gz QDMJWIHEIGSHSM-HUHSQHJXSA-N 2 0 322.880 3.619 20 0 DHADRP CC(C)CCC[C@H](C)N1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001170080586 1023837768 /nfs/dbraw/zinc/83/77/68/1023837768.db2.gz KWNGCVARVGJPSR-KRWDZBQOSA-N 2 0 320.525 3.754 20 0 DHADRP CCC[C@H](C1CCCCC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751991 1023876458 /nfs/dbraw/zinc/87/64/58/1023876458.db2.gz STJCGCJMWQTBTH-OAHLLOKOSA-N 2 0 307.507 3.709 20 0 DHADRP C[NH+]1CCC(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000788489874 1023894137 /nfs/dbraw/zinc/89/41/37/1023894137.db2.gz SRILRDQNCRTFQS-UHFFFAOYSA-N 2 0 308.416 3.666 20 0 DHADRP CCCCCC[C@@H](CCC)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172389492 1033174125 /nfs/dbraw/zinc/17/41/25/1033174125.db2.gz XZMABHKVQPQLQT-GOSISDBHSA-N 2 0 310.526 3.826 20 0 DHADRP CC[C@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001172394047 1033178019 /nfs/dbraw/zinc/17/80/19/1033178019.db2.gz MYPINIOLGPJSDB-GOSISDBHSA-N 2 0 303.494 3.708 20 0 DHADRP CC[C@@H](CC(C)C)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172393915 1033178271 /nfs/dbraw/zinc/17/82/71/1033178271.db2.gz AXVGHJGZUVQNKB-FHWLQOOXSA-N 2 0 303.494 3.978 20 0 DHADRP C[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000194540900 1024006411 /nfs/dbraw/zinc/00/64/11/1024006411.db2.gz UNACOCKYVVZSSP-QGZVFWFLSA-N 2 0 309.457 3.691 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000531143267 1024035673 /nfs/dbraw/zinc/03/56/73/1024035673.db2.gz IPVUTLFOLXRWJO-LJQANCHMSA-N 2 0 304.453 3.865 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2occc2C)cc1 ZINC000266206800 1024035874 /nfs/dbraw/zinc/03/58/74/1024035874.db2.gz MUPCVAUHZWJZRA-UHFFFAOYSA-N 2 0 316.445 3.598 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4)o3)CC[C@H]21 ZINC000538797944 1033183692 /nfs/dbraw/zinc/18/36/92/1033183692.db2.gz GKXRVBPAJQJWKU-PKOBYXMFSA-N 2 0 310.441 3.863 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291129 1024070588 /nfs/dbraw/zinc/07/05/88/1024070588.db2.gz BKOWUSNGAOPVGE-BBRMVZONSA-N 2 0 308.416 3.737 20 0 DHADRP FC(F)c1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662291822 1024074572 /nfs/dbraw/zinc/07/45/72/1024074572.db2.gz ABFRCNPHKQRKLB-QGZVFWFLSA-N 2 0 308.416 3.836 20 0 DHADRP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295130 1024076710 /nfs/dbraw/zinc/07/67/10/1024076710.db2.gz SZLNOGADZBJAET-HNNXBMFYSA-N 2 0 321.534 3.652 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCCC23CCCCC3)cc1 ZINC000662294927 1024077091 /nfs/dbraw/zinc/07/70/91/1024077091.db2.gz HKLASGIVMGNGMX-MJGOQNOKSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294506 1024078421 /nfs/dbraw/zinc/07/84/21/1024078421.db2.gz XEEDVLUWLIDSKG-DZGCQCFKSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295132 1024078916 /nfs/dbraw/zinc/07/89/16/1024078916.db2.gz SZLNOGADZBJAET-OAHLLOKOSA-N 2 0 321.534 3.652 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)[C@@H]1CCC[NH3+] ZINC000662313952 1024104965 /nfs/dbraw/zinc/10/49/65/1024104965.db2.gz ACPKRVLHSCNMHB-IAQYHMDHSA-N 2 0 316.276 3.728 20 0 DHADRP COc1cccc2cc(C[N@@H+]3CCCC34CC[NH+](C)CC4)oc21 ZINC000789559372 1024121825 /nfs/dbraw/zinc/12/18/25/1024121825.db2.gz OTZPLAOMFYQBQO-UHFFFAOYSA-N 2 0 314.429 3.502 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268760858 1024153836 /nfs/dbraw/zinc/15/38/36/1024153836.db2.gz LLXNOMBTSZJYBB-HXUWFJFHSA-N 2 0 321.399 3.848 20 0 DHADRP Cc1ccsc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268790260 1024160645 /nfs/dbraw/zinc/16/06/45/1024160645.db2.gz FUPKYQUCOZDCLL-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001170118981 1024160841 /nfs/dbraw/zinc/16/08/41/1024160841.db2.gz VLNXEJATRNWDKM-CRAIPNDOSA-N 2 0 304.453 3.816 20 0 DHADRP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001170117848 1024163137 /nfs/dbraw/zinc/16/31/37/1024163137.db2.gz OAWXKXVJVAOYGU-GOEBONIOSA-N 2 0 306.881 3.864 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc21 ZINC000663344093 1024167745 /nfs/dbraw/zinc/16/77/45/1024167745.db2.gz NWWWJGDZEUGUAA-KRWDZBQOSA-N 2 0 311.473 3.688 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663344241 1024167880 /nfs/dbraw/zinc/16/78/80/1024167880.db2.gz QAIWDVWBWLTMEM-GOSISDBHSA-N 2 0 316.489 3.605 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3F)ccc1F ZINC000268842116 1024176960 /nfs/dbraw/zinc/17/69/60/1024176960.db2.gz ABMXWTJUUHAONA-LJQANCHMSA-N 2 0 316.395 3.804 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531682829 1024268158 /nfs/dbraw/zinc/26/81/58/1024268158.db2.gz DZABYSNHQGZNRW-JTDSTZFVSA-N 2 0 302.506 3.845 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000531739162 1024291320 /nfs/dbraw/zinc/29/13/20/1024291320.db2.gz XINLAJAJKNYSIW-NWANDNLSSA-N 2 0 310.869 3.872 20 0 DHADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000883266509 1024340031 /nfs/dbraw/zinc/34/00/31/1024340031.db2.gz BXYAYKNSSCITGM-IPMKNSEASA-N 2 0 314.473 3.535 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000453117885 1024342622 /nfs/dbraw/zinc/34/26/22/1024342622.db2.gz JRNIFZIWASODFQ-FUHWJXTLSA-N 2 0 305.510 3.749 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC000453129203 1024356661 /nfs/dbraw/zinc/35/66/61/1024356661.db2.gz XNHDBRGORZGLOJ-YLJYHZDGSA-N 2 0 315.505 3.647 20 0 DHADRP Nc1c(Cl)cccc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000877009057 1033205902 /nfs/dbraw/zinc/20/59/02/1033205902.db2.gz GDNFTZTVVHTIDZ-UHFFFAOYSA-N 2 0 309.885 3.668 20 0 DHADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccncc1 ZINC000453194144 1024393391 /nfs/dbraw/zinc/39/33/91/1024393391.db2.gz GOPYNGNWHGFGEA-SUMDDJOVSA-N 2 0 301.478 3.775 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@H]1CCCOC1 ZINC000883351647 1024398325 /nfs/dbraw/zinc/39/83/25/1024398325.db2.gz JVBNESNCIZRZNI-LCLWPZTBSA-N 2 0 322.537 3.824 20 0 DHADRP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468293 1024418072 /nfs/dbraw/zinc/41/80/72/1024418072.db2.gz LJSCWBAEAFUFLR-KXBFYZLASA-N 2 0 302.437 3.525 20 0 DHADRP COc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663471155 1024419498 /nfs/dbraw/zinc/41/94/98/1024419498.db2.gz XAGVMCNBVAIRII-ZBFHGGJFSA-N 2 0 320.452 3.607 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CC(C)(F)C2)CC1 ZINC000453244002 1024423598 /nfs/dbraw/zinc/42/35/98/1024423598.db2.gz YGTDVSLZVSYRTR-UHFFFAOYSA-N 2 0 304.453 3.910 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453247871 1024425958 /nfs/dbraw/zinc/42/59/58/1024425958.db2.gz WQOFMZUKPAVLFO-KANFNMMFSA-N 2 0 304.453 3.767 20 0 DHADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000663472175 1024427942 /nfs/dbraw/zinc/42/79/42/1024427942.db2.gz ZFUIZPHYQUIAQP-RCVZYCBYSA-N 2 0 312.501 3.890 20 0 DHADRP Cc1nccn1CC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000270845689 1024431469 /nfs/dbraw/zinc/43/14/69/1024431469.db2.gz GWMTZPSQTQLGCW-UHFFFAOYSA-N 2 0 310.228 3.777 20 0 DHADRP c1ccc([C@H]2CCC[C@H](C[N@H+](C3CC3)C3CC[NH2+]CC3)O2)cc1 ZINC000883416540 1024431691 /nfs/dbraw/zinc/43/16/91/1024431691.db2.gz XTXLYZYFXICGMZ-WOJBJXKFSA-N 2 0 314.473 3.513 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883428600 1024433310 /nfs/dbraw/zinc/43/33/10/1024433310.db2.gz YBNIFEPQZIWAPY-GBESFXJTSA-N 2 0 302.462 3.500 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438872 1024436291 /nfs/dbraw/zinc/43/62/91/1024436291.db2.gz DXZCWSCHHAHTND-BJLQDIEVSA-N 2 0 316.489 3.604 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2CC)[C@@H](C)C1 ZINC000453296597 1024444782 /nfs/dbraw/zinc/44/47/82/1024444782.db2.gz YWCDXBWDDOWSFN-RDGPPVDQSA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@@](C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000453300366 1024447132 /nfs/dbraw/zinc/44/71/32/1024447132.db2.gz MBSRXKMIMWDIQU-HAGHYFMRSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1cccc([C@@H]2CC[N@@H+](Cc3ncc(CN(C)C)s3)C2)c1 ZINC000348226752 1024451685 /nfs/dbraw/zinc/45/16/85/1024451685.db2.gz DDOVLVPYKQDHML-MRXNPFEDSA-N 2 0 315.486 3.503 20 0 DHADRP CC[C@@](C)(C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)OC ZINC000453307564 1024453930 /nfs/dbraw/zinc/45/39/30/1024453930.db2.gz URTRGIVOFPUHHM-MHJFOBGBSA-N 2 0 318.505 3.834 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000166084131 1024455155 /nfs/dbraw/zinc/45/51/55/1024455155.db2.gz NTCNAKZHAGJRSQ-NNFUDEMPSA-N 2 0 304.478 3.507 20 0 DHADRP CC(C)(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000925781065 1024460579 /nfs/dbraw/zinc/46/05/79/1024460579.db2.gz HEEYXKFBYGLNRL-HZPDHXFCSA-N 2 0 310.432 3.998 20 0 DHADRP c1ccc2ncc(CN3CC[C@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000271169477 1024463591 /nfs/dbraw/zinc/46/35/91/1024463591.db2.gz DGDQGBCKPAOXAB-QGZVFWFLSA-N 2 0 309.457 3.543 20 0 DHADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1cccc2ccccc21 ZINC000925781389 1024464463 /nfs/dbraw/zinc/46/44/63/1024464463.db2.gz YLKGXDZIFTWQNH-QFBILLFUSA-N 2 0 300.446 3.634 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000643456645 1024469505 /nfs/dbraw/zinc/46/95/05/1024469505.db2.gz RCQPUWGZFZQJTD-DLBZAZTESA-N 2 0 320.358 3.982 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC001167823949 1024474080 /nfs/dbraw/zinc/47/40/80/1024474080.db2.gz AMKHTRAXZMARCL-QGZVFWFLSA-N 2 0 303.494 3.772 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000453387267 1024486376 /nfs/dbraw/zinc/48/63/76/1024486376.db2.gz BBOPXTOUCFXSCB-IBGZPJMESA-N 2 0 302.462 3.537 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001167825157 1024490001 /nfs/dbraw/zinc/49/00/01/1024490001.db2.gz GHLOVKPGYQPZNB-PKOBYXMFSA-N 2 0 304.478 3.650 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001167826146 1024500535 /nfs/dbraw/zinc/50/05/35/1024500535.db2.gz MXVSEWREOVKYAF-CQSZACIVSA-N 2 0 309.885 3.604 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCCOc2ccc(F)cc21)C1CC1 ZINC000453412705 1024505187 /nfs/dbraw/zinc/50/51/87/1024505187.db2.gz WHVGEYITICRQNF-QGZVFWFLSA-N 2 0 306.425 3.503 20 0 DHADRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H](C)CCOCC(C)C)CC1 ZINC001172461198 1033215953 /nfs/dbraw/zinc/21/59/53/1033215953.db2.gz BBYMHJYHJWOKPN-KRWDZBQOSA-N 2 0 312.542 3.928 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001172463357 1033216142 /nfs/dbraw/zinc/21/61/42/1033216142.db2.gz MZGAKDPFNABLQD-KRWDZBQOSA-N 2 0 310.526 3.824 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000453395885 1024512938 /nfs/dbraw/zinc/51/29/38/1024512938.db2.gz IDAFSJFLNBGDCU-WMZOPIPTSA-N 2 0 301.478 3.572 20 0 DHADRP CCc1oc2ccccc2c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000314881347 1024533349 /nfs/dbraw/zinc/53/33/49/1024533349.db2.gz HTSYJUIWELNDLA-OAHLLOKOSA-N 2 0 300.446 3.815 20 0 DHADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c2ccccc12 ZINC000453594310 1024538015 /nfs/dbraw/zinc/53/80/15/1024538015.db2.gz HTIKDNPRJMSMRM-UHFFFAOYSA-N 2 0 312.457 3.812 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534696 1024541365 /nfs/dbraw/zinc/54/13/65/1024541365.db2.gz AGMFVINXOXGFRG-ZIAGYGMSSA-N 2 0 308.878 3.609 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1c(Cl)cccc1Cl)C1CC1 ZINC000453609044 1024550109 /nfs/dbraw/zinc/55/01/09/1024550109.db2.gz ZOSUIMJAWDOOET-UHFFFAOYSA-N 2 0 301.261 3.957 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001167833495 1024568279 /nfs/dbraw/zinc/56/82/79/1024568279.db2.gz CAGJAHMYECEZTF-MJGOQNOKSA-N 2 0 316.489 3.702 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000532201228 1024574840 /nfs/dbraw/zinc/57/48/40/1024574840.db2.gz QITMLMPYCDHYIW-ZIFCJYIRSA-N 2 0 300.490 3.817 20 0 DHADRP C[C@H]1CC[C@H]([NH+]2CCC(N(C)Cc3cccc(F)c3)CC2)C1 ZINC001170160415 1024578574 /nfs/dbraw/zinc/57/85/74/1024578574.db2.gz YYTLOLIQRNINSV-KXBFYZLASA-N 2 0 304.453 3.911 20 0 DHADRP CC[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](CC)C1)C1CCOCC1 ZINC000532224838 1024579934 /nfs/dbraw/zinc/57/99/34/1024579934.db2.gz AWOZZLNYFNOCEE-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000532276026 1024595136 /nfs/dbraw/zinc/59/51/36/1024595136.db2.gz DLJIPQRFRKHBMC-UHFFFAOYSA-N 2 0 310.432 3.560 20 0 DHADRP COc1cc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)ccc1C ZINC000194203705 1024616506 /nfs/dbraw/zinc/61/65/06/1024616506.db2.gz LSKGSNZTHXBBBG-UHFFFAOYSA-N 2 0 321.424 3.538 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001167836796 1024622614 /nfs/dbraw/zinc/62/26/14/1024622614.db2.gz HIZHLZSMKZMUFS-SLFFLAALSA-N 3 0 323.569 3.836 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cc(C)ccc1OC ZINC000349134339 1024678829 /nfs/dbraw/zinc/67/88/29/1024678829.db2.gz XCOGFQYPWJEPJB-UHFFFAOYSA-N 2 0 315.461 3.675 20 0 DHADRP CC[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CCO1 ZINC001170192260 1024686970 /nfs/dbraw/zinc/68/69/70/1024686970.db2.gz KCAFTVQPKYJFQT-GJZGRUSLSA-N 2 0 322.880 3.547 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC001170193766 1024688494 /nfs/dbraw/zinc/68/84/94/1024688494.db2.gz FZNSDOGCLZEUDA-WOJBJXKFSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC001170267052 1024717885 /nfs/dbraw/zinc/71/78/85/1024717885.db2.gz TXQQXSRLVRMNAB-DAYGRLMNSA-N 2 0 308.897 3.979 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC001170267053 1024718885 /nfs/dbraw/zinc/71/88/85/1024718885.db2.gz TXQQXSRLVRMNAB-HDMKZQKVSA-N 2 0 308.897 3.979 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C[NH+]1CCCCC1 ZINC000321314614 1024785327 /nfs/dbraw/zinc/78/53/27/1024785327.db2.gz DPBLMGXXTBMFHM-MRXNPFEDSA-N 2 0 316.489 3.612 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000348314017 1024953301 /nfs/dbraw/zinc/95/33/01/1024953301.db2.gz HBVORGITSYBTJO-BKVYNOPKSA-N 2 0 304.453 3.910 20 0 DHADRP CCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000353135633 1024962779 /nfs/dbraw/zinc/96/27/79/1024962779.db2.gz JKEBNGWEMNHIDN-QXAKKESOSA-N 2 0 301.478 3.572 20 0 DHADRP C[NH+](C)CC1CC[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172554095 1033249644 /nfs/dbraw/zinc/24/96/44/1033249644.db2.gz WHESJVKRDJFLSF-UXHICEINSA-N 2 0 300.490 3.986 20 0 DHADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C)c1 ZINC000353603653 1025148675 /nfs/dbraw/zinc/14/86/75/1025148675.db2.gz HQOCRMWCWGECGL-PKOBYXMFSA-N 2 0 304.478 3.537 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC[NH+](C)CC1 ZINC000353624908 1025157649 /nfs/dbraw/zinc/15/76/49/1025157649.db2.gz FLFLACPKDGEIPJ-QGZVFWFLSA-N 2 0 322.493 3.620 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CCC2 ZINC000353629872 1025163299 /nfs/dbraw/zinc/16/32/99/1025163299.db2.gz GJIBZEJNJVHMLC-RJYAGPCLSA-N 2 0 302.462 3.535 20 0 DHADRP CC(C)(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000400946658 1025185366 /nfs/dbraw/zinc/18/53/66/1025185366.db2.gz FSYLFBIMTPUWHX-BURFUSLBSA-N 2 0 304.453 3.891 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000925839436 1025196022 /nfs/dbraw/zinc/19/60/22/1025196022.db2.gz QZBVZFUVGWLDQH-KLHDSHLOSA-N 2 0 308.416 3.531 20 0 DHADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+](C)CCC[NH+](C)C ZINC001172572506 1033266424 /nfs/dbraw/zinc/26/64/24/1033266424.db2.gz YQDGSYRIMUEZLH-GFCCVEGCSA-N 2 0 318.839 3.823 20 0 DHADRP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400989525 1025220319 /nfs/dbraw/zinc/22/03/19/1025220319.db2.gz XIEGJWVZSVUADL-DLTWYDFYSA-N 2 0 302.462 3.579 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)C1CCOCC1 ZINC000539072254 1033267729 /nfs/dbraw/zinc/26/77/29/1033267729.db2.gz OVXWWMNAXJJOJU-HXUWFJFHSA-N 2 0 318.505 3.822 20 0 DHADRP CCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000236655761 1025227133 /nfs/dbraw/zinc/22/71/33/1025227133.db2.gz RWPXDRXTKOIXQW-UHFFFAOYSA-N 2 0 302.462 3.584 20 0 DHADRP Cc1ccc(CCC[NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)cn1 ZINC000353914190 1025287631 /nfs/dbraw/zinc/28/76/31/1025287631.db2.gz KTWDCIHTPMERPS-FQEVSTJZSA-N 2 0 317.521 3.669 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]1 ZINC000666624563 1025295312 /nfs/dbraw/zinc/29/53/12/1025295312.db2.gz TYDLUSBGOOLBAH-NUJGCVRESA-N 2 0 311.473 3.735 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000236796470 1025322976 /nfs/dbraw/zinc/32/29/76/1025322976.db2.gz DHDMDANWBSCQEQ-IBGZPJMESA-N 2 0 302.462 3.610 20 0 DHADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666638357 1025325033 /nfs/dbraw/zinc/32/50/33/1025325033.db2.gz DBIQCHSPAMUHFS-NUJGCVRESA-N 2 0 302.462 3.610 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccccc1 ZINC000925854923 1025326889 /nfs/dbraw/zinc/32/68/89/1025326889.db2.gz BHBIFCRAOSXTHI-IAGOWNOFSA-N 2 0 304.503 3.875 20 0 DHADRP C[C@@H]1C[C@@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000666638431 1025327569 /nfs/dbraw/zinc/32/75/69/1025327569.db2.gz OCUGVYLCKPPZCX-KGLIPLIRSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1ccc(CCC[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000354147190 1025369535 /nfs/dbraw/zinc/36/95/35/1025369535.db2.gz RWGALPAOTDJRDS-UHFFFAOYSA-N 2 0 315.505 3.567 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000438124258 1025370414 /nfs/dbraw/zinc/37/04/14/1025370414.db2.gz ZXYLNPNBRSSZCK-WJFTUGDTSA-N 2 0 310.526 3.776 20 0 DHADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000877314982 1033279830 /nfs/dbraw/zinc/27/98/30/1033279830.db2.gz GYEFPGZIPKBHSQ-ZOCZFRKYSA-N 2 0 318.442 3.564 20 0 DHADRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000123723062 1025393936 /nfs/dbraw/zinc/39/39/36/1025393936.db2.gz VHSWCXOULFUHJK-AWEZNQCLSA-N 2 0 303.837 3.528 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875662 1025401555 /nfs/dbraw/zinc/40/15/55/1025401555.db2.gz LFUGWICEHMPPNY-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000885905118 1025402152 /nfs/dbraw/zinc/40/21/52/1025402152.db2.gz IBZFFLDRALFBLW-VQTJNVASSA-N 2 0 316.489 3.720 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885943908 1025414458 /nfs/dbraw/zinc/41/44/58/1025414458.db2.gz GIHJPPMHDGWQHR-SFHVURJKSA-N 2 0 310.526 3.970 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885968966 1025424481 /nfs/dbraw/zinc/42/44/81/1025424481.db2.gz GEEUILHOLGWEPO-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(C)(C)C ZINC000885990640 1025429054 /nfs/dbraw/zinc/42/90/54/1025429054.db2.gz MHXYIYRCVUVJMM-SJORKVTESA-N 2 0 310.526 3.824 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C)OCc2ccccc2)[C@@H](C)C1 ZINC000354670650 1025479207 /nfs/dbraw/zinc/47/92/07/1025479207.db2.gz LXXSSKHQLIXNLX-NSHGMRRFSA-N 2 0 318.505 3.644 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000125739980 1025491962 /nfs/dbraw/zinc/49/19/62/1025491962.db2.gz NKZSGUDNBOEKCI-HIFRSBDPSA-N 2 0 309.523 3.785 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CC[C@@H](C)OCc2ccccc2)CC1 ZINC000354848096 1025522892 /nfs/dbraw/zinc/52/28/92/1025522892.db2.gz GEWRXLFZFILMCA-GOSISDBHSA-N 2 0 318.505 3.788 20 0 DHADRP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H](C)OCc2ccccc2)CC1 ZINC000354857595 1025527196 /nfs/dbraw/zinc/52/71/96/1025527196.db2.gz ASEJBFGKGRAWCV-GOSISDBHSA-N 2 0 318.505 3.786 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000355036188 1025588809 /nfs/dbraw/zinc/58/88/09/1025588809.db2.gz KILGVKRKQUDWJW-UHFFFAOYSA-N 2 0 304.503 3.859 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)CCC2 ZINC000355035902 1025589149 /nfs/dbraw/zinc/58/91/49/1025589149.db2.gz IYQVBRPYXDJSCO-AWEZNQCLSA-N 2 0 321.534 3.795 20 0 DHADRP COC1CCC(C)(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000355132186 1025612211 /nfs/dbraw/zinc/61/22/11/1025612211.db2.gz MCLHLEUCIZSOLJ-UHFFFAOYSA-N 2 0 313.445 3.557 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C(F)F)CC3)CC2)C1 ZINC000355173738 1025624515 /nfs/dbraw/zinc/62/45/15/1025624515.db2.gz YVSDCUCDTMRLOZ-DZGCQCFKSA-N 2 0 300.437 3.664 20 0 DHADRP COCc1cccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886504972 1025657502 /nfs/dbraw/zinc/65/75/02/1025657502.db2.gz BZNKUBMMBWEPNU-UHFFFAOYSA-N 2 0 316.489 3.720 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000886507659 1025661394 /nfs/dbraw/zinc/66/13/94/1025661394.db2.gz UJSUSQQZYBELEP-UHFFFAOYSA-N 2 0 307.869 3.622 20 0 DHADRP COCCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000355277099 1025664328 /nfs/dbraw/zinc/66/43/28/1025664328.db2.gz CUFMSNUYTQLSSU-AQNXPRMDSA-N 2 0 316.489 3.761 20 0 DHADRP C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)N(C)C1CC1 ZINC000130976938 1025676489 /nfs/dbraw/zinc/67/64/89/1025676489.db2.gz FMTIHIUIOHSCMA-MGPQQGTHSA-N 2 0 317.502 3.861 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCc2ccc(Cl)nc2)CC1 ZINC000886540609 1025687892 /nfs/dbraw/zinc/68/78/92/1025687892.db2.gz ICVAVDXKZHMFEE-UHFFFAOYSA-N 2 0 321.896 3.664 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc[nH]1 ZINC000886558975 1025707504 /nfs/dbraw/zinc/70/75/04/1025707504.db2.gz WXQDMEQMTASBDM-WNHJNPCNSA-N 2 0 309.457 3.718 20 0 DHADRP C[C@H](CCO)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000359893026 1025725587 /nfs/dbraw/zinc/72/55/87/1025725587.db2.gz CHJMYBDEFKQJEM-QGZVFWFLSA-N 2 0 322.537 3.562 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000886619100 1025744690 /nfs/dbraw/zinc/74/46/90/1025744690.db2.gz SCLNBDHKDHADKH-FHERZECASA-N 2 0 300.437 3.809 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000886627213 1025747031 /nfs/dbraw/zinc/74/70/31/1025747031.db2.gz WBZDBZRPZBCSQN-SKINQDTJSA-N 2 0 314.473 3.645 20 0 DHADRP CC1(C)C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886623911 1025748713 /nfs/dbraw/zinc/74/87/13/1025748713.db2.gz SLSMTQRIZGRNDO-MUYFXNHWSA-N 2 0 308.510 3.578 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC23CCOCC3)CC1 ZINC000886646713 1025757631 /nfs/dbraw/zinc/75/76/31/1025757631.db2.gz RCSPZCYEWIBKTE-VIQWUECVSA-N 2 0 320.521 3.580 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000886648409 1025761640 /nfs/dbraw/zinc/76/16/40/1025761640.db2.gz SLELXJSCRCYGQP-XBMUEBEBSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@H]([NH2+]CCCOC1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924869758 1025881534 /nfs/dbraw/zinc/88/15/34/1025881534.db2.gz PIOINRPIEMIAIK-INIZCTEOSA-N 2 0 304.478 3.748 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623431486 1025939006 /nfs/dbraw/zinc/93/90/06/1025939006.db2.gz HHWPDBWODPULGZ-UHFFFAOYSA-N 2 0 320.424 3.979 20 0 DHADRP C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293218409 1025968299 /nfs/dbraw/zinc/96/82/99/1025968299.db2.gz AIZGAVPEAOZYSY-WMLDXEAASA-N 2 0 308.416 3.532 20 0 DHADRP CSC1(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCC1 ZINC000356169145 1025972196 /nfs/dbraw/zinc/97/21/96/1025972196.db2.gz QJVQBJOKEJQOED-UHFFFAOYSA-N 2 0 306.519 3.902 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917526 1025975893 /nfs/dbraw/zinc/97/58/93/1025975893.db2.gz MSKAQYSPXUQEEK-MBBYRJAFSA-N 2 0 302.437 3.696 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000666743498 1026023478 /nfs/dbraw/zinc/02/34/78/1026023478.db2.gz YJSHQDONFZARRE-GDBMZVCRSA-N 2 0 307.507 3.798 20 0 DHADRP C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411619074 1026081977 /nfs/dbraw/zinc/08/19/77/1026081977.db2.gz MKIMSUCVKTUBNO-FQEVSTJZSA-N 2 0 316.489 3.673 20 0 DHADRP C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC000245659125 1026116496 /nfs/dbraw/zinc/11/64/96/1026116496.db2.gz FFKMSHBGOZOKCJ-DVWBAYGPSA-N 2 0 321.468 3.928 20 0 DHADRP C[C@H]1C[C@H](N(C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644576 1026120167 /nfs/dbraw/zinc/12/01/67/1026120167.db2.gz RTDLZNJBDLLZJA-XHDPSFHLSA-N 2 0 318.358 3.759 20 0 DHADRP C[C@H](c1ccccn1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121799494 1026155567 /nfs/dbraw/zinc/15/55/67/1026155567.db2.gz XVXGFHKAEFNCNP-QGZVFWFLSA-N 2 0 301.478 3.731 20 0 DHADRP C[N@H+](Cc1cccc(-c2ccccn2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289811684 1026186614 /nfs/dbraw/zinc/18/66/14/1026186614.db2.gz SXDWDPRBLXSVRD-YOFSQIOKSA-N 2 0 321.468 3.806 20 0 DHADRP Clc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCC2)cc1 ZINC000647792154 1026194146 /nfs/dbraw/zinc/19/41/46/1026194146.db2.gz UPJFNMCHFZRHFA-CKEIUWERSA-N 2 0 304.865 3.697 20 0 DHADRP C[NH+](C/C=C/C[N@@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000120554668 1026273481 /nfs/dbraw/zinc/27/34/81/1026273481.db2.gz YGKAWTZDIMXBKJ-ONEGZZNKSA-N 2 0 306.500 3.930 20 0 DHADRP C[C@@H]([NH2+]CCCSc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000154344442 1026293503 /nfs/dbraw/zinc/29/35/03/1026293503.db2.gz HNQGXAPLFFFCOU-CQSZACIVSA-N 2 0 310.482 3.628 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513336176 1026480219 /nfs/dbraw/zinc/48/02/19/1026480219.db2.gz VWHDCZOMQYKGOJ-BXXUTWAOSA-N 2 0 322.537 3.824 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000513334099 1026480958 /nfs/dbraw/zinc/48/09/58/1026480958.db2.gz DWPWOXDPUAKRDS-OQUMVOOASA-N 2 0 322.537 3.824 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000513334125 1026481403 /nfs/dbraw/zinc/48/14/03/1026481403.db2.gz FDYCAPAWLPBSGJ-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1ncccc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513506212 1026525302 /nfs/dbraw/zinc/52/53/02/1026525302.db2.gz PBPUBJDQTXUBSF-YLJYHZDGSA-N 2 0 323.484 3.780 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000513545756 1026538454 /nfs/dbraw/zinc/53/84/54/1026538454.db2.gz SIVWPMWQONCIQJ-SJLPKXTDSA-N 2 0 318.530 3.772 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000414183957 1026545789 /nfs/dbraw/zinc/54/57/89/1026545789.db2.gz NNKIBJFWPNBPFB-SJLPKXTDSA-N 2 0 304.478 3.776 20 0 DHADRP Oc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c2ccccc12 ZINC001204735177 1026552068 /nfs/dbraw/zinc/55/20/68/1026552068.db2.gz MUUSUKGIPDCVCY-UHFFFAOYSA-N 2 0 310.441 3.511 20 0 DHADRP CCc1nc(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cs1 ZINC000924908431 1026553626 /nfs/dbraw/zinc/55/36/26/1026553626.db2.gz QVAINOZWHVXRKU-AWEZNQCLSA-N 2 0 317.502 3.660 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000513678114 1026556920 /nfs/dbraw/zinc/55/69/20/1026556920.db2.gz IELJSYWITGFENB-ARFHVFGLSA-N 2 0 324.415 3.559 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000513683062 1026559215 /nfs/dbraw/zinc/55/92/15/1026559215.db2.gz FXPCVENWXPQCPV-SQNIBIBYSA-N 2 0 306.881 3.735 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000280381933 1026642177 /nfs/dbraw/zinc/64/21/77/1026642177.db2.gz WFFWXKBTQRCFGP-BVBHFADKSA-N 2 0 302.437 3.678 20 0 DHADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513698275 1026671725 /nfs/dbraw/zinc/67/17/25/1026671725.db2.gz YOWGZZJHJKKNJH-BRWVUGGUSA-N 2 0 304.503 3.679 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2csc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000513717188 1026785375 /nfs/dbraw/zinc/78/53/75/1026785375.db2.gz MHWXSAPVMRHZPV-SQNIBIBYSA-N 2 0 314.498 3.906 20 0 DHADRP c1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000420296339 1026794968 /nfs/dbraw/zinc/79/49/68/1026794968.db2.gz BMEWTYUHJBBTMK-DYESRHJHSA-N 2 0 306.453 3.634 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000420302873 1026800688 /nfs/dbraw/zinc/80/06/88/1026800688.db2.gz JUSUVJFKQYTRBW-PZJWPPBQSA-N 2 0 324.468 3.883 20 0 DHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420303596 1026800756 /nfs/dbraw/zinc/80/07/56/1026800756.db2.gz KTUNXUCQIPAGBH-STQMWFEESA-N 2 0 300.368 3.698 20 0 DHADRP Cc1ncsc1C[N@H+](CCCC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC000420308015 1026801172 /nfs/dbraw/zinc/80/11/72/1026801172.db2.gz JOHIQHZWEANCSF-OAHLLOKOSA-N 2 0 309.523 3.689 20 0 DHADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(C(F)(F)F)c1 ZINC000420302894 1026801525 /nfs/dbraw/zinc/80/15/25/1026801525.db2.gz JWQPGQBCXPKWJH-ZDUSSCGKSA-N 2 0 300.368 3.527 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000420321330 1026804732 /nfs/dbraw/zinc/80/47/32/1026804732.db2.gz RGUQWRBBGHGSJM-YOEHRIQHSA-N 2 0 316.420 3.570 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325144 1026805289 /nfs/dbraw/zinc/80/52/89/1026805289.db2.gz IHJSCTKEFAACOB-GLJUWKHASA-N 2 0 304.865 3.649 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC000420328378 1026806637 /nfs/dbraw/zinc/80/66/37/1026806637.db2.gz ZGPBULHGURVEDE-WIYYLYMNSA-N 2 0 324.468 3.883 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420370609 1026808312 /nfs/dbraw/zinc/80/83/12/1026808312.db2.gz JTTOBYAZKKGTPJ-AWEZNQCLSA-N 2 0 309.523 3.957 20 0 DHADRP C[NH2+]CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000420377548 1026809192 /nfs/dbraw/zinc/80/91/92/1026809192.db2.gz SLKIWIRFZMYGOY-NHCUHLMSSA-N 2 0 324.468 3.835 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420391901 1026811593 /nfs/dbraw/zinc/81/15/93/1026811593.db2.gz BFWXDWRINWZFFA-LRDDRELGSA-N 2 0 312.379 3.746 20 0 DHADRP C[C@H](c1ccccc1Cl)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420382067 1026812065 /nfs/dbraw/zinc/81/20/65/1026812065.db2.gz DILDKIQFNXDEED-QIIPPGSGSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000420406338 1026814022 /nfs/dbraw/zinc/81/40/22/1026814022.db2.gz NRIWYCKGEUKTGN-SJORKVTESA-N 2 0 300.471 3.539 20 0 DHADRP CC(C)CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000513729889 1026859768 /nfs/dbraw/zinc/85/97/68/1026859768.db2.gz SJLLQUTWPMZZOG-UHFFFAOYSA-N 2 0 318.505 3.885 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000421371204 1026968022 /nfs/dbraw/zinc/96/80/22/1026968022.db2.gz KPYWZUQQDAZIHU-UHFFFAOYSA-N 2 0 318.358 3.807 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C2CC2)c(F)c1 ZINC000421856923 1027068274 /nfs/dbraw/zinc/06/82/74/1027068274.db2.gz OSNKGCFYHYPXPO-KUHUBIRLSA-N 2 0 320.452 3.607 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421847641 1027075527 /nfs/dbraw/zinc/07/55/27/1027075527.db2.gz XWYXXSHEIULEJJ-ZDUSSCGKSA-N 2 0 312.860 3.873 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000561976910 1027152563 /nfs/dbraw/zinc/15/25/63/1027152563.db2.gz WTMXJNOBFUYFAS-LSDHHAIUSA-N 2 0 310.432 3.606 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000562023510 1027187330 /nfs/dbraw/zinc/18/73/30/1027187330.db2.gz IYINABVKAKYIRK-IAGOWNOFSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)CC(C)(C)CC[NH3+] ZINC001170665623 1027190442 /nfs/dbraw/zinc/19/04/42/1027190442.db2.gz AGOJYZHQNPBXCC-CZUORRHYSA-N 2 0 324.459 3.813 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000562047217 1027200412 /nfs/dbraw/zinc/20/04/12/1027200412.db2.gz IIUYJUDZGBRBOK-YJNKXOJESA-N 2 0 306.416 3.675 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000572678329 1027220900 /nfs/dbraw/zinc/22/09/00/1027220900.db2.gz NMQDBLXANUPLHV-IEBWSBKVSA-N 2 0 318.505 3.549 20 0 DHADRP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000572808770 1027233459 /nfs/dbraw/zinc/23/34/59/1027233459.db2.gz DMYXUBAWDXKHNM-OAHLLOKOSA-N 2 0 318.461 3.532 20 0 DHADRP CSCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000362488230 1027245484 /nfs/dbraw/zinc/24/54/84/1027245484.db2.gz WXOLZJZKXQKCGE-IBGZPJMESA-N 2 0 318.530 3.728 20 0 DHADRP COc1c(C)cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000237128868 1027281319 /nfs/dbraw/zinc/28/13/19/1027281319.db2.gz LJXMYUODEQOSAM-UHFFFAOYSA-N 2 0 304.478 3.711 20 0 DHADRP Cc1cc(CN2CCC3(CC[NH2+]3)CC2)ccc1Oc1cccnc1 ZINC000422565354 1027285282 /nfs/dbraw/zinc/28/52/82/1027285282.db2.gz YRFAJTMBHHTDLH-UHFFFAOYSA-N 2 0 323.440 3.510 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@@H]1C[NH3+] ZINC000422561637 1027286788 /nfs/dbraw/zinc/28/67/88/1027286788.db2.gz MMYCBWUZHRITIM-GUXCAODWSA-N 2 0 309.457 3.554 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000573404243 1027293196 /nfs/dbraw/zinc/29/31/96/1027293196.db2.gz WVDVEWJOEUBIDQ-GOSISDBHSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422712829 1027295950 /nfs/dbraw/zinc/29/59/50/1027295950.db2.gz OOKCTPMFXKAWAS-GOSISDBHSA-N 3 0 317.521 3.670 20 0 DHADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422709208 1027297203 /nfs/dbraw/zinc/29/72/03/1027297203.db2.gz DCGYGTNJMFOMBJ-GUDVDZBRSA-N 2 0 316.489 3.874 20 0 DHADRP CC(C)CC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732063 1027300328 /nfs/dbraw/zinc/30/03/28/1027300328.db2.gz NFOBFLQBKMENAW-VDZJLULYSA-N 2 0 302.462 3.657 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)c21 ZINC000422723200 1027305145 /nfs/dbraw/zinc/30/51/45/1027305145.db2.gz ZVWGIVURZAOIHK-MJGOQNOKSA-N 2 0 305.425 3.753 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000422758375 1027305336 /nfs/dbraw/zinc/30/53/36/1027305336.db2.gz JKANJUWYRPAPHN-MJGOQNOKSA-N 2 0 309.388 3.584 20 0 DHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422742851 1027310843 /nfs/dbraw/zinc/31/08/43/1027310843.db2.gz QUXDUFSUQRSYSL-GWKIZSTFSA-N 2 0 321.468 3.556 20 0 DHADRP COc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422741328 1027312386 /nfs/dbraw/zinc/31/23/86/1027312386.db2.gz POKDUQNBNPHXFT-XUVXKRRUSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422781374 1027318121 /nfs/dbraw/zinc/31/81/21/1027318121.db2.gz ISQMVFWRWMBVSU-ZDUSSCGKSA-N 2 0 320.383 3.974 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000422776229 1027320507 /nfs/dbraw/zinc/32/05/07/1027320507.db2.gz CIKMMAVRHMHTOY-DZOHQFGASA-N 2 0 306.519 3.827 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422785746 1027320983 /nfs/dbraw/zinc/32/09/83/1027320983.db2.gz RKWYOQWWKWSDJW-XMCHAPAWSA-N 2 0 310.441 3.923 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000422787509 1027322005 /nfs/dbraw/zinc/32/20/05/1027322005.db2.gz RKMFNSKYURSOQW-XLIONFOSSA-N 2 0 312.457 3.662 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422794773 1027322919 /nfs/dbraw/zinc/32/29/19/1027322919.db2.gz ZJAFASIVBIKHAA-KPOBHBOGSA-N 2 0 310.441 3.751 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422785744 1027324680 /nfs/dbraw/zinc/32/46/80/1027324680.db2.gz RKWYOQWWKWSDJW-UAOJZALGSA-N 2 0 310.441 3.923 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)oc21 ZINC000422786014 1027324920 /nfs/dbraw/zinc/32/49/20/1027324920.db2.gz NYXXGTDPDYVFLT-DZKIICNBSA-N 2 0 316.445 3.870 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)cs1 ZINC000422800535 1027327380 /nfs/dbraw/zinc/32/73/80/1027327380.db2.gz CCPDXXKIVGSQEP-VUCTXSBTSA-N 2 0 315.486 3.897 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000422799037 1027328245 /nfs/dbraw/zinc/32/82/45/1027328245.db2.gz UTNCZCDKOKTOIT-QMCVQRASSA-N 2 0 301.478 3.858 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422802613 1027328315 /nfs/dbraw/zinc/32/83/15/1027328315.db2.gz HPHGMGOOIQGFGO-SFHVURJKSA-N 3 0 317.521 3.526 20 0 DHADRP CC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)Oc1ccccc1F ZINC000422816842 1027340371 /nfs/dbraw/zinc/34/03/71/1027340371.db2.gz GBNOTRXSZUXSJJ-XWIAVFTESA-N 2 0 314.404 3.718 20 0 DHADRP Cc1ccc(SC2(C[NH2+][C@@H]3CCC[C@H]3[NH3+])CCCC2)cc1 ZINC000422837998 1027340668 /nfs/dbraw/zinc/34/06/68/1027340668.db2.gz NLKXHZCNINOJJK-IAGOWNOFSA-N 2 0 304.503 3.869 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000422853108 1027341915 /nfs/dbraw/zinc/34/19/15/1027341915.db2.gz BKFGNNLWYLUKFG-GUYCJALGSA-N 2 0 313.470 3.736 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422867373 1027342434 /nfs/dbraw/zinc/34/24/34/1027342434.db2.gz SAVYANDYXKIRKQ-GHTZIAJQSA-N 2 0 324.468 3.620 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422863316 1027343064 /nfs/dbraw/zinc/34/30/64/1027343064.db2.gz OOFACWVSVQUTGT-SFTDATJTSA-N 2 0 323.484 3.761 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422884867 1027350647 /nfs/dbraw/zinc/35/06/47/1027350647.db2.gz XUABQKCFOMSAFF-ZNMIVQPWSA-N 2 0 320.477 3.793 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422889040 1027351910 /nfs/dbraw/zinc/35/19/10/1027351910.db2.gz OQSZIWRBPJHERI-QMTHXVAHSA-N 2 0 301.261 3.512 20 0 DHADRP CCCC[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000574061167 1027355801 /nfs/dbraw/zinc/35/58/01/1027355801.db2.gz QHFHZVUGRKAHOW-INIZCTEOSA-N 2 0 304.478 3.828 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422915084 1027359413 /nfs/dbraw/zinc/35/94/13/1027359413.db2.gz XATLBRCSVOFQLA-LEWJYISDSA-N 3 0 323.484 3.761 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc2ccccc2o1 ZINC000422924237 1027360749 /nfs/dbraw/zinc/36/07/49/1027360749.db2.gz TWCNBYFAKSIVPC-HNAYVOBHSA-N 2 0 308.425 3.523 20 0 DHADRP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(Cl)c1 ZINC000422892578 1027361125 /nfs/dbraw/zinc/36/11/25/1027361125.db2.gz YTEABMDAJXKDJW-MSOLQXFVSA-N 2 0 316.832 3.626 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422926073 1027363018 /nfs/dbraw/zinc/36/30/18/1027363018.db2.gz WCZGBGZDSRBYRJ-YALNPMBYSA-N 2 0 322.880 3.618 20 0 DHADRP C[C@@H]1C[C@@H]1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422922402 1027363293 /nfs/dbraw/zinc/36/32/93/1027363293.db2.gz QFUQYEHXCHEDIS-WGYQMEPDSA-N 2 0 304.865 3.910 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000422943747 1027364897 /nfs/dbraw/zinc/36/48/97/1027364897.db2.gz KRNWFHNAUXXYLD-HNNXBMFYSA-N 2 0 319.452 3.895 20 0 DHADRP CC(C)CC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422928335 1027366293 /nfs/dbraw/zinc/36/62/93/1027366293.db2.gz KBENPCBDBMQXPC-YLJYHZDGSA-N 2 0 314.473 3.658 20 0 DHADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422940644 1027369085 /nfs/dbraw/zinc/36/90/85/1027369085.db2.gz HIMUXEUCYZZBJQ-RBUKOAKNSA-N 2 0 310.441 3.707 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422920644 1027371562 /nfs/dbraw/zinc/37/15/62/1027371562.db2.gz MLBNYJMWHAFVSX-XFKAJCMBSA-N 2 0 322.880 3.618 20 0 DHADRP Cc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422965728 1027372020 /nfs/dbraw/zinc/37/20/20/1027372020.db2.gz LVPODBPFBPFTLB-ZLGUVYLKSA-N 2 0 324.468 3.504 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OCC(C)C ZINC000422945343 1027376741 /nfs/dbraw/zinc/37/67/41/1027376741.db2.gz UEFABTVUUGOJDL-KFWWJZLASA-N 2 0 308.466 3.506 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422947400 1027376769 /nfs/dbraw/zinc/37/67/69/1027376769.db2.gz QMEIGBJRMSYFIZ-OAGGEKHMSA-N 2 0 322.518 3.673 20 0 DHADRP C[C@H]([NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]C1 ZINC000422958984 1027378236 /nfs/dbraw/zinc/37/82/36/1027378236.db2.gz ZVKFWGCXEUFONL-PGUXBMHVSA-N 2 0 313.272 3.958 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422952564 1027378929 /nfs/dbraw/zinc/37/89/29/1027378929.db2.gz BHQBJMGWRALVPX-DNVCBOLYSA-N 2 0 310.441 3.894 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000422993580 1027382863 /nfs/dbraw/zinc/38/28/63/1027382863.db2.gz RPCIQLQWRRPLLR-OALUTQOASA-N 2 0 310.416 3.883 20 0 DHADRP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000422994958 1027384211 /nfs/dbraw/zinc/38/42/11/1027384211.db2.gz JAGLXBYZMBHJNB-HLAWJBBLSA-N 2 0 321.468 3.759 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000423014247 1027388786 /nfs/dbraw/zinc/38/87/86/1027388786.db2.gz ONHLCAXNCFDHIG-CVEARBPZSA-N 2 0 324.468 3.894 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423046848 1027394427 /nfs/dbraw/zinc/39/44/27/1027394427.db2.gz GDNFFAMMKXIOMQ-CYBMUJFWSA-N 2 0 323.440 3.797 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000423023303 1027395499 /nfs/dbraw/zinc/39/54/99/1027395499.db2.gz JLKSPOXGDSGGLJ-AFBRZQFHSA-N 2 0 309.457 3.823 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000423024965 1027397100 /nfs/dbraw/zinc/39/71/00/1027397100.db2.gz KLORPFZNKATRQC-MPGHIAIKSA-N 2 0 316.489 3.630 20 0 DHADRP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423031910 1027397732 /nfs/dbraw/zinc/39/77/32/1027397732.db2.gz DXCNGKZKAQIJOC-VBRUCIBASA-N 2 0 310.869 3.523 20 0 DHADRP C[C@@H]1C[C@@H](C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[NH2+]1 ZINC000574501436 1027398933 /nfs/dbraw/zinc/39/89/33/1027398933.db2.gz IDDVXQBYRYOCIT-KGLIPLIRSA-N 2 0 308.416 3.532 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000423041695 1027401423 /nfs/dbraw/zinc/40/14/23/1027401423.db2.gz XSNJFZUHVOURIC-MOPGFXCFSA-N 2 0 322.452 3.851 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423072858 1027407372 /nfs/dbraw/zinc/40/73/72/1027407372.db2.gz QEMQYCXIYNQHFJ-NEPJUHHUSA-N 2 0 302.384 3.698 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000423079376 1027411169 /nfs/dbraw/zinc/41/11/69/1027411169.db2.gz YFNMRWXUMSZEPB-UZLBHIALSA-N 2 0 311.473 3.557 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098640 1027414851 /nfs/dbraw/zinc/41/48/51/1027414851.db2.gz DAOHEEIWSPHFLV-HZPDHXFCSA-N 2 0 305.853 3.544 20 0 DHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423103086 1027417097 /nfs/dbraw/zinc/41/70/97/1027417097.db2.gz XNFHGXMKLRBDCR-GPFWEFOESA-N 2 0 302.437 3.582 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423128569 1027421506 /nfs/dbraw/zinc/42/15/06/1027421506.db2.gz LBEKXDSZNNZFBH-XIRDDKMYSA-N 2 0 310.432 3.750 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423104745 1027425121 /nfs/dbraw/zinc/42/51/21/1027425121.db2.gz YNSNXMVNQCDIKD-WHOFXGATSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)c1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cnccc2N)cc1 ZINC000423109385 1027425784 /nfs/dbraw/zinc/42/57/84/1027425784.db2.gz NQYHLUMNTABADW-GJZGRUSLSA-N 2 0 313.445 3.736 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000423113366 1027428650 /nfs/dbraw/zinc/42/86/50/1027428650.db2.gz YPGLVSTVTGWNFT-IUIKQTSFSA-N 2 0 312.379 3.539 20 0 DHADRP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000423111157 1027428774 /nfs/dbraw/zinc/42/87/74/1027428774.db2.gz VZOKRPVDIMGPOC-HOTGVXAUSA-N 2 0 312.379 3.683 20 0 DHADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423152823 1027431300 /nfs/dbraw/zinc/43/13/00/1027431300.db2.gz MNLWDLRLGIETEB-BHIYHBOVSA-N 2 0 304.453 3.577 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423149184 1027432014 /nfs/dbraw/zinc/43/20/14/1027432014.db2.gz XKZFXAUQBAXSKC-BZUAXINKSA-N 2 0 304.503 3.776 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1CCCCCC1 ZINC000423150523 1027432417 /nfs/dbraw/zinc/43/24/17/1027432417.db2.gz IVOHZADCBQPXPU-AZUAARDMSA-N 2 0 314.473 3.802 20 0 DHADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924960949 1027433947 /nfs/dbraw/zinc/43/39/47/1027433947.db2.gz UURWQNMGEIAUPV-MOPGFXCFSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000362901614 1027434555 /nfs/dbraw/zinc/43/45/55/1027434555.db2.gz MQGCCGMWEZJWIC-SFHVURJKSA-N 2 0 323.484 3.687 20 0 DHADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423170423 1027437332 /nfs/dbraw/zinc/43/73/32/1027437332.db2.gz LVMKIBVKEWCQQO-BHEBFOIGSA-N 2 0 302.437 3.582 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(Br)c1Cl ZINC000423172854 1027439022 /nfs/dbraw/zinc/43/90/22/1027439022.db2.gz VQYSKRYOCJDLCS-JTQLQIEISA-N 2 0 319.674 3.710 20 0 DHADRP [NH3+]C1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000423179948 1027440689 /nfs/dbraw/zinc/44/06/89/1027440689.db2.gz NAKFIQYIJBERTD-MAUKXSAKSA-N 2 0 320.452 3.545 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423209726 1027444266 /nfs/dbraw/zinc/44/42/66/1027444266.db2.gz JKAFKXYZOJCNKR-STQMWFEESA-N 2 0 314.445 3.694 20 0 DHADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000423208510 1027444494 /nfs/dbraw/zinc/44/44/94/1027444494.db2.gz YVYKHNQAFQCUCE-SJORKVTESA-N 2 0 324.509 3.530 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423217133 1027459605 /nfs/dbraw/zinc/45/96/05/1027459605.db2.gz SZANBRQKYKGOOY-GHTZIAJQSA-N 2 0 324.468 3.568 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423217165 1027459626 /nfs/dbraw/zinc/45/96/26/1027459626.db2.gz PJYMZZZTAYKCGG-IWMBGFJWSA-N 2 0 303.475 3.648 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423220908 1027461905 /nfs/dbraw/zinc/46/19/05/1027461905.db2.gz YVESWZNXAQRPKH-XJKSGUPXSA-N 2 0 314.395 3.992 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423220906 1027462111 /nfs/dbraw/zinc/46/21/11/1027462111.db2.gz YVESWZNXAQRPKH-CJNGLKHVSA-N 2 0 314.395 3.992 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]C2CCC([NH3+])CC2)cc1OCC ZINC000423221469 1027462170 /nfs/dbraw/zinc/46/21/70/1027462170.db2.gz WURUKFXRNVRQIO-JCYILVPMSA-N 2 0 320.477 3.795 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H]3CCC[NH2+]C3)cs2)cs1 ZINC000423218762 1027462949 /nfs/dbraw/zinc/46/29/49/1027462949.db2.gz VZPTYXHEHZQYNK-YPMHNXCESA-N 2 0 321.515 3.830 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423244133 1027471825 /nfs/dbraw/zinc/47/18/25/1027471825.db2.gz HGVMMIAWLNDDCZ-QAPCUYQASA-N 2 0 302.462 3.613 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423247244 1027475799 /nfs/dbraw/zinc/47/57/99/1027475799.db2.gz KWAOWDXPJSQBNB-GHMZBOCLSA-N 2 0 318.795 3.592 20 0 DHADRP COc1cccc(C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423248624 1027475981 /nfs/dbraw/zinc/47/59/81/1027475981.db2.gz NRCPKVPJGHERBJ-UTKZUKDTSA-N 2 0 324.468 3.568 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423253278 1027476053 /nfs/dbraw/zinc/47/60/53/1027476053.db2.gz VRBCSFCRFUISGI-MSOLQXFVSA-N 2 0 324.468 3.916 20 0 DHADRP Fc1ccc(C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423248099 1027476175 /nfs/dbraw/zinc/47/61/75/1027476175.db2.gz MNUZITGWEAUGQS-FXAWDEMLSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423285763 1027482813 /nfs/dbraw/zinc/48/28/13/1027482813.db2.gz ZZGQZTYKENREJI-KGLIPLIRSA-N 2 0 314.395 3.616 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc(Cl)c1 ZINC000423289686 1027482900 /nfs/dbraw/zinc/48/29/00/1027482900.db2.gz BNKBYSVLLNMHTM-FZKQIMNGSA-N 2 0 318.848 3.837 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423293601 1027486249 /nfs/dbraw/zinc/48/62/49/1027486249.db2.gz AGJAAGPUBDTDOH-QWHCGFSZSA-N 2 0 303.475 3.672 20 0 DHADRP COc1cc2ccccc2cc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000575478160 1027486456 /nfs/dbraw/zinc/48/64/56/1027486456.db2.gz QJJYYXXHNNBMLX-MRXNPFEDSA-N 2 0 312.457 3.668 20 0 DHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423292029 1027486754 /nfs/dbraw/zinc/48/67/54/1027486754.db2.gz KZTLMGXWALATFQ-ZIAGYGMSSA-N 2 0 311.429 3.516 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)cc1 ZINC000295938475 1027493216 /nfs/dbraw/zinc/49/32/16/1027493216.db2.gz LGKACIPLHOFIFI-PHSGOXPASA-N 2 0 302.462 3.607 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423318261 1027499446 /nfs/dbraw/zinc/49/94/46/1027499446.db2.gz DIUODNGSBPPEFW-LSDHHAIUSA-N 2 0 300.368 3.670 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423295947 1027502563 /nfs/dbraw/zinc/50/25/63/1027502563.db2.gz FXZHFDGTOPZVDZ-DAXOMENPSA-N 2 0 314.395 3.916 20 0 DHADRP COc1ncc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000423295720 1027503751 /nfs/dbraw/zinc/50/37/51/1027503751.db2.gz XJRQVUVSFUNDEG-NEPJUHHUSA-N 2 0 319.836 3.614 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(F)c1 ZINC000423294145 1027504393 /nfs/dbraw/zinc/50/43/93/1027504393.db2.gz TUZGJWIWZFHLNT-OLZOCXBDSA-N 2 0 302.393 3.705 20 0 DHADRP COc1ncc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000423295723 1027504663 /nfs/dbraw/zinc/50/46/63/1027504663.db2.gz XJRQVUVSFUNDEG-VXGBXAGGSA-N 2 0 319.836 3.614 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OCC ZINC000423324842 1027511955 /nfs/dbraw/zinc/51/19/55/1027511955.db2.gz JDABUTKAORLGPF-BEFAXECRSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000423341759 1027515002 /nfs/dbraw/zinc/51/50/02/1027515002.db2.gz KGLRPIXACKPZFQ-QGZVFWFLSA-N 2 0 306.453 3.716 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)cs1 ZINC000423341019 1027515317 /nfs/dbraw/zinc/51/53/17/1027515317.db2.gz WHZYJIIOXFBMKT-JTQLQIEISA-N 2 0 317.296 3.551 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423333423 1027515402 /nfs/dbraw/zinc/51/54/02/1027515402.db2.gz RSJPKTLYZZPYTR-HIFRSBDPSA-N 2 0 300.368 3.670 20 0 DHADRP CC(C)[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423334173 1027515433 /nfs/dbraw/zinc/51/54/33/1027515433.db2.gz FPPSZMHXGIPWQJ-INIZCTEOSA-N 2 0 312.379 3.912 20 0 DHADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC000423373548 1027517622 /nfs/dbraw/zinc/51/76/22/1027517622.db2.gz HREPXCFJPPCKCX-OXQOHEQNSA-N 2 0 307.441 3.501 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423361367 1027519345 /nfs/dbraw/zinc/51/93/45/1027519345.db2.gz AFPICYDSQPQYKC-XPGWFJOJSA-N 2 0 312.432 3.697 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000423363020 1027520947 /nfs/dbraw/zinc/52/09/47/1027520947.db2.gz AERMAERONVCAGX-XJFOESAGSA-N 2 0 303.475 3.518 20 0 DHADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000296038047 1027522615 /nfs/dbraw/zinc/52/26/15/1027522615.db2.gz NUBCSJQYIJLTPH-SUNYJGFJSA-N 2 0 306.400 3.559 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000423368953 1027522871 /nfs/dbraw/zinc/52/28/71/1027522871.db2.gz BLQJQANUGMCKOQ-UMVBOHGHSA-N 2 0 310.869 3.918 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423401479 1027526274 /nfs/dbraw/zinc/52/62/74/1027526274.db2.gz QXJQZXGSMZYPSA-KCMWZYNZSA-N 2 0 306.881 3.954 20 0 DHADRP CCCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423382000 1027527108 /nfs/dbraw/zinc/52/71/08/1027527108.db2.gz DDYYATFTSNIRHI-JTDSTZFVSA-N 2 0 304.478 3.904 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423378020 1027527335 /nfs/dbraw/zinc/52/73/35/1027527335.db2.gz LYTMBAIQOSVFMW-VYDXJSESSA-N 2 0 320.477 3.665 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423384683 1027528634 /nfs/dbraw/zinc/52/86/34/1027528634.db2.gz GGHDSJCYAULUDI-WQVCFCJDSA-N 2 0 314.395 3.990 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c2ccccc2)c1 ZINC000423378698 1027528865 /nfs/dbraw/zinc/52/88/65/1027528865.db2.gz MPWZDWXUZDSMPP-SCWSEQNSSA-N 2 0 324.468 3.709 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423392678 1027529696 /nfs/dbraw/zinc/52/96/96/1027529696.db2.gz LPYUNTQKSUNPRH-IPELMVKDSA-N 2 0 304.478 3.760 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000423395058 1027535215 /nfs/dbraw/zinc/53/52/15/1027535215.db2.gz NCAJEHJNOSCMNC-XEZPLFJOSA-N 2 0 310.869 3.776 20 0 DHADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423395653 1027535652 /nfs/dbraw/zinc/53/56/52/1027535652.db2.gz NIWWASLIZQIFSK-RCBQFDQVSA-N 2 0 314.395 3.990 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(C)ccc1OC ZINC000423403702 1027538499 /nfs/dbraw/zinc/53/84/99/1027538499.db2.gz XCZDHRAPPYRKMY-IBGZPJMESA-N 2 0 310.441 3.848 20 0 DHADRP CC[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](CC)C3)c2)C1 ZINC000575986954 1027539367 /nfs/dbraw/zinc/53/93/67/1027539367.db2.gz FEHOVZZUGQGFBH-CALCHBBNSA-N 2 0 301.478 3.545 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc2)c1 ZINC000423407894 1027540012 /nfs/dbraw/zinc/54/00/12/1027540012.db2.gz WMHXTFWTKPEPKA-DQLDELGASA-N 2 0 324.468 3.567 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423453920 1027543677 /nfs/dbraw/zinc/54/36/77/1027543677.db2.gz BLTDENGTGRQZGI-VUFQOXLZSA-N 2 0 304.437 3.862 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423428070 1027547822 /nfs/dbraw/zinc/54/78/22/1027547822.db2.gz JAGVQHUDZAIWFA-INIZCTEOSA-N 3 0 311.558 3.773 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cnc2ccsc2c1 ZINC000423432497 1027550603 /nfs/dbraw/zinc/55/06/03/1027550603.db2.gz WFWYQQGPAGLGOJ-MGPQQGTHSA-N 2 0 303.475 3.712 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000423437482 1027552139 /nfs/dbraw/zinc/55/21/39/1027552139.db2.gz MGQOWVIZLFXYSU-HZUKXOBISA-N 2 0 308.466 3.586 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423438699 1027552536 /nfs/dbraw/zinc/55/25/36/1027552536.db2.gz RSRWJWGNGXUIIZ-FIDHJVLJSA-N 2 0 324.390 3.539 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000296138403 1027554524 /nfs/dbraw/zinc/55/45/24/1027554524.db2.gz WCRIYZCNAYWIBN-GOSISDBHSA-N 2 0 318.486 3.929 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423460412 1027554901 /nfs/dbraw/zinc/55/49/01/1027554901.db2.gz BBYRWQLEHYQZAB-XYJFISCASA-N 2 0 302.462 3.624 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CCS2 ZINC000423471389 1027557434 /nfs/dbraw/zinc/55/74/34/1027557434.db2.gz LZIFPZHOKFLRCY-ZMSDIMECSA-N 2 0 304.503 3.947 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCS2 ZINC000423471234 1027559247 /nfs/dbraw/zinc/55/92/47/1027559247.db2.gz DWECOKAGONATQG-YOEHRIQHSA-N 2 0 320.502 3.744 20 0 DHADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423478821 1027560801 /nfs/dbraw/zinc/56/08/01/1027560801.db2.gz LRAKZUPPVOWTDA-HOCLYGCPSA-N 2 0 312.404 3.861 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCS2 ZINC000423478732 1027562191 /nfs/dbraw/zinc/56/21/91/1027562191.db2.gz LFBNWRWLBUYURE-WBVHZDCISA-N 2 0 304.503 3.962 20 0 DHADRP Brc1cccc2c1CC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423486975 1027570088 /nfs/dbraw/zinc/57/00/88/1027570088.db2.gz TYGIDIIRHGIZTR-BLLLJJGKSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423484195 1027570563 /nfs/dbraw/zinc/57/05/63/1027570563.db2.gz ZYWWGMROAHZUCH-LZWOXQAQSA-N 2 0 315.486 3.978 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000423487571 1027572125 /nfs/dbraw/zinc/57/21/25/1027572125.db2.gz CSRKWTZQIIOWBB-QKLQHJQFSA-N 2 0 308.469 3.924 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1Br ZINC000423493730 1027575432 /nfs/dbraw/zinc/57/54/32/1027575432.db2.gz QXNNKNLZDWJRMZ-ZOWXZIJZSA-N 2 0 311.267 3.617 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000423519861 1027576574 /nfs/dbraw/zinc/57/65/74/1027576574.db2.gz QQLJDTYVCAJFNL-WTGUMLROSA-N 2 0 316.489 3.652 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C12CCCC2 ZINC000423511570 1027577668 /nfs/dbraw/zinc/57/76/68/1027577668.db2.gz NOJPVGWCEIIZBR-IPMKNSEASA-N 2 0 316.489 3.794 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cnn1C(C)C ZINC000423511593 1027577903 /nfs/dbraw/zinc/57/79/03/1027577903.db2.gz NQVNMHNJAPIEER-KXBFYZLASA-N 2 0 314.477 3.903 20 0 DHADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423556144 1027579519 /nfs/dbraw/zinc/57/95/19/1027579519.db2.gz MNEULFNAQLBCFW-MRXNPFEDSA-N 2 0 310.388 3.639 20 0 DHADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000423526525 1027580033 /nfs/dbraw/zinc/58/00/33/1027580033.db2.gz LMYJSLSNTINUIL-HNNXBMFYSA-N 2 0 311.267 3.632 20 0 DHADRP Fc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423543319 1027583598 /nfs/dbraw/zinc/58/35/98/1027583598.db2.gz UZKWSZCYPWLLKG-FQEVSTJZSA-N 2 0 310.416 3.815 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536150 1027584645 /nfs/dbraw/zinc/58/46/45/1027584645.db2.gz GUGBCDWFNCIXJM-LJQANCHMSA-N 2 0 314.473 3.923 20 0 DHADRP COCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000296653770 1027697255 /nfs/dbraw/zinc/69/72/55/1027697255.db2.gz ZBZAYUDOSQKDCL-XVLXNVKGSA-N 2 0 320.452 3.508 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170716899 1027796839 /nfs/dbraw/zinc/79/68/39/1027796839.db2.gz ZQBMUQUTJTZAIW-YSTOQKLRSA-N 2 0 312.501 3.923 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000562959550 1027828842 /nfs/dbraw/zinc/82/88/42/1027828842.db2.gz IACYNSJJVWBWDB-CHWSQXEVSA-N 2 0 312.860 3.734 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692080 1027830172 /nfs/dbraw/zinc/83/01/72/1027830172.db2.gz ROBVHQCZBQIPQO-GTKPJJQQSA-N 2 0 312.501 3.921 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000577648508 1027862926 /nfs/dbraw/zinc/86/29/26/1027862926.db2.gz UPNBIQHWBJSTHQ-UXHICEINSA-N 2 0 323.569 3.621 20 0 DHADRP CCCCOCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000563289057 1027982937 /nfs/dbraw/zinc/98/29/37/1027982937.db2.gz CQHZFLMTHDWNPB-UHFFFAOYSA-N 2 0 318.505 3.836 20 0 DHADRP COCCC1CC[NH+](C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000527936257 1027995112 /nfs/dbraw/zinc/99/51/12/1027995112.db2.gz PPAKSZKDQGDAMT-PXNSSMCTSA-N 2 0 322.537 3.778 20 0 DHADRP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCN1C1CCCC1 ZINC000527998573 1028021335 /nfs/dbraw/zinc/02/13/35/1028021335.db2.gz DUSQSAGNZJQVGL-KGXSXCIVSA-N 2 0 320.521 3.863 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000563426065 1028042170 /nfs/dbraw/zinc/04/21/70/1028042170.db2.gz SBSQJNZIVRPRRH-SZVBFZGTSA-N 2 0 301.478 3.743 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000367063913 1028130917 /nfs/dbraw/zinc/13/09/17/1028130917.db2.gz APFQPSOMZRLKGQ-KYJSFNMBSA-N 2 0 324.896 3.736 20 0 DHADRP COc1cccc2c(C[NH+]3CCC(C[NH+](C)C)CC3)cccc12 ZINC000449008798 1028256204 /nfs/dbraw/zinc/25/62/04/1028256204.db2.gz FQDHAZVMFXNSPA-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP C([NH2+][C@H]1CCOC2(CCC2)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000449060839 1028300709 /nfs/dbraw/zinc/30/07/09/1028300709.db2.gz UNOPDGAESRQVME-SFHVURJKSA-N 2 0 320.521 3.867 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579096054 1028321571 /nfs/dbraw/zinc/32/15/71/1028321571.db2.gz OUWPPTNSQODSOY-IBGZPJMESA-N 2 0 302.506 3.943 20 0 DHADRP C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CCC[NH+](CC[C@H](C)F)C2)C1 ZINC000368240398 1028327146 /nfs/dbraw/zinc/32/71/46/1028327146.db2.gz JCVPCXXZFDMNCT-IXDOHACOSA-N 2 0 302.453 3.661 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449067199 1028327979 /nfs/dbraw/zinc/32/79/79/1028327979.db2.gz JIFWUYAAPOMNPT-HNNXBMFYSA-N 2 0 300.446 3.826 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449071285 1028333471 /nfs/dbraw/zinc/33/34/71/1028333471.db2.gz HFDACTCYMIBZNA-HUUCEWRRSA-N 2 0 311.429 3.795 20 0 DHADRP CCCC[N@H+](C)CC1CCN(Cc2ncccc2Cl)CC1 ZINC000528356436 1028342454 /nfs/dbraw/zinc/34/24/54/1028342454.db2.gz RTTFJSUBDZBAOX-UHFFFAOYSA-N 2 0 309.885 3.679 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc2cccnc2o1 ZINC000449081173 1028343639 /nfs/dbraw/zinc/34/36/39/1028343639.db2.gz CIDXOIZJHBNSOK-HNNXBMFYSA-N 2 0 301.434 3.572 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCc2nccs2)CC1 ZINC000449104614 1028356923 /nfs/dbraw/zinc/35/69/23/1028356923.db2.gz APYCEMWZEIVMJA-UHFFFAOYSA-N 2 0 323.550 3.954 20 0 DHADRP CC[N@@H+]1CCC[C@H](CNCc2cc3ccccc3cc2OC)C1 ZINC000449109353 1028358544 /nfs/dbraw/zinc/35/85/44/1028358544.db2.gz YJYJRENJJOQBIY-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000368526945 1028366963 /nfs/dbraw/zinc/36/69/63/1028366963.db2.gz JRUKGGMEBYVPGZ-CEXWTWQISA-N 2 0 322.537 3.683 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000368565376 1028371315 /nfs/dbraw/zinc/37/13/15/1028371315.db2.gz CVAHYOQGKUWDBB-LJQANCHMSA-N 2 0 314.473 3.633 20 0 DHADRP C[C@H](CC1CC1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449147466 1028402203 /nfs/dbraw/zinc/40/22/03/1028402203.db2.gz HBJUBZAVQMZRJR-SJORKVTESA-N 2 0 300.490 3.860 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000579409117 1028404150 /nfs/dbraw/zinc/40/41/50/1028404150.db2.gz DECVUNARFRYXOY-HNNXBMFYSA-N 2 0 310.844 3.643 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCc2cscn2)CC1 ZINC000449166599 1028424797 /nfs/dbraw/zinc/42/47/97/1028424797.db2.gz DZJXURFDKMESST-UHFFFAOYSA-N 2 0 323.550 3.954 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000449189491 1028426037 /nfs/dbraw/zinc/42/60/37/1028426037.db2.gz HOGRJKCKKFRAGD-IBGZPJMESA-N 2 0 310.526 3.824 20 0 DHADRP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449189820 1028428181 /nfs/dbraw/zinc/42/81/81/1028428181.db2.gz MYJKRBIDFGLESD-QGZVFWFLSA-N 2 0 310.526 3.680 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449221071 1028462890 /nfs/dbraw/zinc/46/28/90/1028462890.db2.gz SBXNOBXNWQZGDH-HNNXBMFYSA-N 2 0 300.446 3.828 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000449267594 1028494893 /nfs/dbraw/zinc/49/48/93/1028494893.db2.gz AEHSHLPJLBPCDB-RCCFBDPRSA-N 2 0 322.537 3.823 20 0 DHADRP COc1cccc2c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cccc12 ZINC000449283263 1028506593 /nfs/dbraw/zinc/50/65/93/1028506593.db2.gz KXJWUNGMJNEONN-KRWDZBQOSA-N 2 0 312.457 3.765 20 0 DHADRP CC(C)SCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449320539 1028549322 /nfs/dbraw/zinc/54/93/22/1028549322.db2.gz OEBCYKFEOKRLAG-KRWDZBQOSA-N 2 0 320.546 3.813 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449344789 1028555664 /nfs/dbraw/zinc/55/56/64/1028555664.db2.gz SFMIPORENDZMTN-QGZVFWFLSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449344627 1028556029 /nfs/dbraw/zinc/55/60/29/1028556029.db2.gz RXZPRXPNPYBXML-JXFKEZNVSA-N 2 0 324.553 3.806 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000565227136 1028559748 /nfs/dbraw/zinc/55/97/48/1028559748.db2.gz RNUWRSSJJBIRLC-LSDHHAIUSA-N 2 0 312.379 3.597 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000565225795 1028560574 /nfs/dbraw/zinc/56/05/74/1028560574.db2.gz GYWVWQGLDLBKTM-VYDXJSESSA-N 2 0 304.434 3.836 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000565350683 1028577490 /nfs/dbraw/zinc/57/74/90/1028577490.db2.gz LTSRBBVXVLDADU-SFHVURJKSA-N 2 0 307.397 3.510 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)F)ccc1OC ZINC000815645493 1028588792 /nfs/dbraw/zinc/58/87/92/1028588792.db2.gz HNHMWDWZKARDRS-HUUCEWRRSA-N 2 0 310.457 3.936 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000565618007 1028611440 /nfs/dbraw/zinc/61/14/40/1028611440.db2.gz AFOAQHSJNGZTPW-CLCXKQKWSA-N 2 0 311.473 3.926 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000565610313 1028612540 /nfs/dbraw/zinc/61/25/40/1028612540.db2.gz XZIFACNDGLOSJG-RTBURBONSA-N 2 0 310.441 3.625 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000449403728 1028620107 /nfs/dbraw/zinc/62/01/07/1028620107.db2.gz RHAMRNVNCODYEB-XEYPJELSSA-N 2 0 318.505 3.548 20 0 DHADRP COCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000370624982 1028627442 /nfs/dbraw/zinc/62/74/42/1028627442.db2.gz SMTQRPQHDBXMFR-SFHVURJKSA-N 2 0 318.505 3.612 20 0 DHADRP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449433779 1028638796 /nfs/dbraw/zinc/63/87/96/1028638796.db2.gz NUOMFIXUKAXWNE-XGUBFFRZSA-N 2 0 304.400 3.714 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000566317471 1028704521 /nfs/dbraw/zinc/70/45/21/1028704521.db2.gz PQSCABKDVCMXBJ-UHFFFAOYSA-N 2 0 302.462 3.569 20 0 DHADRP CCC(CC)(CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000566481142 1028733730 /nfs/dbraw/zinc/73/37/30/1028733730.db2.gz FULFTFLUPSEVDX-BHIYHBOVSA-N 2 0 317.521 3.756 20 0 DHADRP COc1ccc2nc(C[NH2+]C(C)(C)CCC[NH+](C)C)sc2c1 ZINC000449524811 1028751708 /nfs/dbraw/zinc/75/17/08/1028751708.db2.gz AHFXGWZUJDBKMW-UHFFFAOYSA-N 2 0 321.490 3.515 20 0 DHADRP c1c2ccccc2oc1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000566849845 1028792622 /nfs/dbraw/zinc/79/26/22/1028792622.db2.gz QQCVYQBBWSFHOH-FOIQADDNSA-N 2 0 321.424 3.506 20 0 DHADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560363 1028803170 /nfs/dbraw/zinc/80/31/70/1028803170.db2.gz JXBWJUQXCOYMMU-AJGUDLNYSA-N 2 0 304.865 3.958 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000567403894 1028885934 /nfs/dbraw/zinc/88/59/34/1028885934.db2.gz VMIAWCRBZJZCCP-QWFCFKBJSA-N 2 0 323.569 3.740 20 0 DHADRP CN1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000449653274 1028890690 /nfs/dbraw/zinc/89/06/90/1028890690.db2.gz RSEAZTQLZXBYQR-GOSISDBHSA-N 2 0 315.505 3.810 20 0 DHADRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170828238 1028905043 /nfs/dbraw/zinc/90/50/43/1028905043.db2.gz XDCMPJNGUNHWSO-LJQANCHMSA-N 2 0 316.489 3.542 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@]3(C)CCCS3)C2)CC1 ZINC000628156696 1028909608 /nfs/dbraw/zinc/90/96/08/1028909608.db2.gz ZHFCZRIFZNSANH-QZTJIDSGSA-N 2 0 310.551 3.716 20 0 DHADRP COc1ccc(Oc2ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000567613345 1028928539 /nfs/dbraw/zinc/92/85/39/1028928539.db2.gz ZNTUWVPBRJUVNX-GJZGRUSLSA-N 2 0 314.429 3.703 20 0 DHADRP Cc1ccc2ccnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000567750489 1028946639 /nfs/dbraw/zinc/94/66/39/1028946639.db2.gz ZKGXQUKSAFQKBT-FXAWDEMLSA-N 2 0 321.468 3.996 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2n[nH]cc21 ZINC000628278589 1028988256 /nfs/dbraw/zinc/98/82/56/1028988256.db2.gz XPJAFQXIBRHOBR-UHFFFAOYSA-N 2 0 322.456 3.647 20 0 DHADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC23CC3)cc1 ZINC000568087747 1029006658 /nfs/dbraw/zinc/00/66/58/1029006658.db2.gz SGFPRVRBNZKYTN-FUMNGEBKSA-N 2 0 310.485 3.962 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000568249495 1029033064 /nfs/dbraw/zinc/03/30/64/1029033064.db2.gz RYORBBJOLUVMPS-HOTGVXAUSA-N 2 0 304.503 3.951 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000568471451 1029074837 /nfs/dbraw/zinc/07/48/37/1029074837.db2.gz MCTJTLJLVISMEQ-ZDUSSCGKSA-N 2 0 322.880 3.874 20 0 DHADRP COC1CCC(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000925223915 1029076749 /nfs/dbraw/zinc/07/67/49/1029076749.db2.gz JRRYKDIFIFKGCU-LYGPFTKASA-N 2 0 304.478 3.604 20 0 DHADRP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000411288845 1029092661 /nfs/dbraw/zinc/09/26/61/1029092661.db2.gz FQRQXCCTRANCKN-FHLIZLRMSA-N 2 0 311.404 3.511 20 0 DHADRP Cn1cncc1CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000568881558 1029139998 /nfs/dbraw/zinc/13/99/98/1029139998.db2.gz WITQZDIJWDURQM-QGZVFWFLSA-N 2 0 303.837 3.843 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000568973628 1029155198 /nfs/dbraw/zinc/15/51/98/1029155198.db2.gz DBZXBZQPJDSSPG-MOPGFXCFSA-N 2 0 304.478 3.699 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000569160994 1029186034 /nfs/dbraw/zinc/18/60/34/1029186034.db2.gz CSUYOVXAEGUJLA-UHFFFAOYSA-N 2 0 312.860 3.685 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000817585817 1029215170 /nfs/dbraw/zinc/21/51/70/1029215170.db2.gz ITRSSQVULULDAO-CTWPCTMYSA-N 2 0 316.489 3.925 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3nc4ccccc4s3)C2)CC1 ZINC000374167088 1029227524 /nfs/dbraw/zinc/22/75/24/1029227524.db2.gz ZGZZLIDVHCNVQP-UHFFFAOYSA-N 2 0 315.486 3.604 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817927207 1029269336 /nfs/dbraw/zinc/26/93/36/1029269336.db2.gz ZMAFTWOPPZUGBS-AUTRQRHGSA-N 2 0 303.233 3.532 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000817895711 1029269950 /nfs/dbraw/zinc/26/99/50/1029269950.db2.gz ZSFGRJPMCMHWTA-OGWOLHLISA-N 2 0 302.462 3.514 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817911607 1029275179 /nfs/dbraw/zinc/27/51/79/1029275179.db2.gz PZRBFGPHNCTSAS-CKJXQJPGSA-N 2 0 324.468 3.816 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000817946895 1029287777 /nfs/dbraw/zinc/28/77/77/1029287777.db2.gz HIHMXUQMGSSCBL-ZDUSSCGKSA-N 2 0 320.383 3.640 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cc1Cl ZINC000817947981 1029292327 /nfs/dbraw/zinc/29/23/27/1029292327.db2.gz HPXLTNVIACRKGF-LBPRGKRZSA-N 2 0 306.812 3.831 20 0 DHADRP Cc1cc([C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C2CC2)ccc1F ZINC000817949940 1029294206 /nfs/dbraw/zinc/29/42/06/1029294206.db2.gz UPDKPBCPNSDBNV-HXUWFJFHSA-N 2 0 312.432 3.876 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc2c(s1)CCCC2 ZINC000817950259 1029295963 /nfs/dbraw/zinc/29/59/63/1029295963.db2.gz XGPKLUQZFHSXSC-CQSZACIVSA-N 2 0 314.498 3.979 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000817961696 1029299733 /nfs/dbraw/zinc/29/97/33/1029299733.db2.gz AGVLEIOAUKZNEX-IFXJQAMLSA-N 2 0 310.441 3.882 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000817961698 1029300349 /nfs/dbraw/zinc/30/03/49/1029300349.db2.gz AGVLEIOAUKZNEX-LIRRHRJNSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(SC(F)F)cc1 ZINC000817967761 1029308266 /nfs/dbraw/zinc/30/82/66/1029308266.db2.gz BNRRZQPHOFGDJF-DGCLKSJQSA-N 2 0 300.418 3.794 20 0 DHADRP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000817966989 1029308711 /nfs/dbraw/zinc/30/87/11/1029308711.db2.gz BDKJFHCGWTYMOD-INIZCTEOSA-N 2 0 324.440 3.888 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(SC(F)F)cc1 ZINC000817970861 1029310990 /nfs/dbraw/zinc/31/09/90/1029310990.db2.gz GGZAUUNVLGVQMO-UHIISALHSA-N 2 0 300.418 3.650 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000817978486 1029316762 /nfs/dbraw/zinc/31/67/62/1029316762.db2.gz BTBJCVBKPZTKBB-PGOLTUBRSA-N 2 0 302.437 3.567 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817981723 1029320377 /nfs/dbraw/zinc/32/03/77/1029320377.db2.gz NEEYTFJULQQNLL-LOWVWBTDSA-N 2 0 300.418 3.779 20 0 DHADRP c1cc(-c2ccccc2)sc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629509621 1029350699 /nfs/dbraw/zinc/35/06/99/1029350699.db2.gz FYTMMDFQOWVLAN-YESZJQIVSA-N 2 0 312.482 3.893 20 0 DHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000629519034 1029353706 /nfs/dbraw/zinc/35/37/06/1029353706.db2.gz BIOYYNRRLHKVTO-UHFFFAOYSA-N 2 0 303.494 3.589 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170897493 1029364909 /nfs/dbraw/zinc/36/49/09/1029364909.db2.gz OYYFQZRPOHLDQZ-QGZVFWFLSA-N 2 0 320.908 3.907 20 0 DHADRP CC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000570442261 1029365654 /nfs/dbraw/zinc/36/56/54/1029365654.db2.gz ZZGSQYDEUBJADH-IAAVTCLWSA-N 2 0 304.453 3.687 20 0 DHADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560120 1029368350 /nfs/dbraw/zinc/36/83/50/1029368350.db2.gz CXGARVLERKGAEL-MCIONIFRSA-N 2 0 306.416 3.662 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC23CC3)ccc1OC ZINC000818356277 1029382104 /nfs/dbraw/zinc/38/21/04/1029382104.db2.gz MXOROIFPEHIRPE-KDOFPFPSSA-N 2 0 302.462 3.740 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC23CC3)ccc1OC ZINC000818356276 1029383545 /nfs/dbraw/zinc/38/35/45/1029383545.db2.gz MXOROIFPEHIRPE-KBXCAEBGSA-N 2 0 302.462 3.740 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC(F)(F)C1 ZINC000529542021 1029385224 /nfs/dbraw/zinc/38/52/24/1029385224.db2.gz NZMHHCSILYCWKL-BFHYXJOUSA-N 2 0 300.437 3.663 20 0 DHADRP C[NH+](C)CCOc1cccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC000629701743 1029430459 /nfs/dbraw/zinc/43/04/59/1029430459.db2.gz ZMDUXHJLBHEWTM-FQEVSTJZSA-N 2 0 310.441 3.719 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000818959524 1029445267 /nfs/dbraw/zinc/44/52/67/1029445267.db2.gz NEEPARYQEVCUHE-YJBOKZPZSA-N 2 0 324.896 3.618 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000818959523 1029445324 /nfs/dbraw/zinc/44/53/24/1029445324.db2.gz NEEPARYQEVCUHE-QAPCUYQASA-N 2 0 324.896 3.618 20 0 DHADRP c1ccc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CCC2)nc1 ZINC000529645965 1029468534 /nfs/dbraw/zinc/46/85/34/1029468534.db2.gz XUZQHXQFVSXMQX-HXUWFJFHSA-N 2 0 322.456 3.576 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000389962304 1029501927 /nfs/dbraw/zinc/50/19/27/1029501927.db2.gz JISHQIGZENBAQD-UIAACRFSSA-N 2 0 310.441 3.716 20 0 DHADRP CCc1ccc2[nH+]ccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000450523087 1029534552 /nfs/dbraw/zinc/53/45/52/1029534552.db2.gz CQQRZMZZNOOMLI-SJPCQFCGSA-N 2 0 309.457 3.859 20 0 DHADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229655 1029560009 /nfs/dbraw/zinc/56/00/09/1029560009.db2.gz PKIGEPHMMHAZLW-UGXKVIGPSA-N 2 0 310.526 3.703 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000390930725 1029720613 /nfs/dbraw/zinc/72/06/13/1029720613.db2.gz GMVCKKWVBXSKDJ-LJQANCHMSA-N 2 0 311.473 3.867 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccc(F)c3C2)c1 ZINC001170948341 1029732047 /nfs/dbraw/zinc/73/20/47/1029732047.db2.gz GHNKDYBSPDNXCW-GOSISDBHSA-N 2 0 312.432 3.534 20 0 DHADRP C[C@H](NCC[N@H+](C)C1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000820808285 1029769952 /nfs/dbraw/zinc/76/99/52/1029769952.db2.gz CHVCJGSYBQSSNS-KRWDZBQOSA-N 2 0 317.521 3.663 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC000820810588 1029770057 /nfs/dbraw/zinc/77/00/57/1029770057.db2.gz AABGMLVMSBLFIH-KFKAGJAMSA-N 2 0 316.489 3.747 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170956852 1029794361 /nfs/dbraw/zinc/79/43/61/1029794361.db2.gz IICJSXHNNNBRII-NVXWUHKLSA-N 2 0 306.469 3.783 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925233422 1029822058 /nfs/dbraw/zinc/82/20/58/1029822058.db2.gz VPLQFBPRGZAEIW-VQTJNVASSA-N 2 0 322.537 3.539 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000303989174 1029860780 /nfs/dbraw/zinc/86/07/80/1029860780.db2.gz PTBWTEPQRJTVNO-UHFFFAOYSA-N 2 0 320.383 3.639 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170969439 1029863607 /nfs/dbraw/zinc/86/36/07/1029863607.db2.gz ICXSLJNSAYHQEE-SFHVURJKSA-N 2 0 318.480 3.641 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170978389 1029948168 /nfs/dbraw/zinc/94/81/68/1029948168.db2.gz VKOCLUIFLQKNIB-BZSNNMDCSA-N 2 0 318.480 3.926 20 0 DHADRP COc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)ccc1Cl ZINC000865764512 1030011355 /nfs/dbraw/zinc/01/13/55/1030011355.db2.gz CVCFNNJDAMDZLH-UHFFFAOYSA-N 2 0 310.869 3.701 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000865765476 1030013805 /nfs/dbraw/zinc/01/38/05/1030013805.db2.gz WQVZVVSCJBBWAP-OTBHMBEGSA-N 2 0 315.505 3.960 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(C)c1O ZINC000290395343 1030032754 /nfs/dbraw/zinc/03/27/54/1030032754.db2.gz OWPSKVVXGNHFSR-WMZOPIPTSA-N 2 0 316.489 3.752 20 0 DHADRP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246198435 1030095403 /nfs/dbraw/zinc/09/54/03/1030095403.db2.gz PFRDKWAIRWPKAA-UHFFFAOYSA-N 2 0 313.272 3.924 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000290563600 1030106223 /nfs/dbraw/zinc/10/62/23/1030106223.db2.gz SMIIALWQJRMGBP-OXQOHEQNSA-N 2 0 309.457 3.521 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924526442 1030114195 /nfs/dbraw/zinc/11/41/95/1030114195.db2.gz FAODUNHGSIXUBD-JKSUJKDBSA-N 2 0 306.498 3.769 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924529260 1030114434 /nfs/dbraw/zinc/11/44/34/1030114434.db2.gz UJOSKAHBOJFCKI-HOTGVXAUSA-N 2 0 306.498 3.769 20 0 DHADRP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000924567719 1030124954 /nfs/dbraw/zinc/12/49/54/1030124954.db2.gz QLPFDDUYIZANIL-NXEWRWPSSA-N 2 0 316.489 3.759 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C(C)C)cc1 ZINC000924587056 1030132618 /nfs/dbraw/zinc/13/26/18/1030132618.db2.gz ZBKOUUKFCGHSBL-UXHICEINSA-N 2 0 318.505 3.679 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1F ZINC000924605872 1030137395 /nfs/dbraw/zinc/13/73/95/1030137395.db2.gz IQSTUDOJKOGPCZ-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000822841712 1030143475 /nfs/dbraw/zinc/14/34/75/1030143475.db2.gz OLDCKUVQJILQLS-IHRRRGAJSA-N 2 0 319.320 3.813 20 0 DHADRP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245820324 1030144797 /nfs/dbraw/zinc/14/47/97/1030144797.db2.gz DTUHHGRIGQQJJL-KBPBESRZSA-N 2 0 319.399 3.714 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924628567 1030147445 /nfs/dbraw/zinc/14/74/45/1030147445.db2.gz JSMGEWPKEWTOJX-MRXNPFEDSA-N 2 0 318.505 3.685 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924648592 1030149420 /nfs/dbraw/zinc/14/94/20/1030149420.db2.gz MAALOXGNGLGHOX-HOTGVXAUSA-N 2 0 318.530 3.804 20 0 DHADRP C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccnnc1 ZINC000924680807 1030158405 /nfs/dbraw/zinc/15/84/05/1030158405.db2.gz SNHMAVIAXYXCHW-SJORKVTESA-N 2 0 324.472 3.702 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1(Br)CC1 ZINC000924686558 1030159319 /nfs/dbraw/zinc/15/93/19/1030159319.db2.gz LWVLVMFHUSWHAH-KBPBESRZSA-N 2 0 317.315 3.547 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccnn1C1CCC1 ZINC000924686474 1030159453 /nfs/dbraw/zinc/15/94/53/1030159453.db2.gz LTRNYOKNLNKFTI-IAGOWNOFSA-N 2 0 318.509 3.913 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccnn1C1CCC1 ZINC000924686471 1030161067 /nfs/dbraw/zinc/16/10/67/1030161067.db2.gz LTRNYOKNLNKFTI-DLBZAZTESA-N 2 0 318.509 3.913 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000924706012 1030165556 /nfs/dbraw/zinc/16/55/56/1030165556.db2.gz FNPQTDDDMOIRLI-CQSZACIVSA-N 2 0 315.461 3.984 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000866232155 1030169366 /nfs/dbraw/zinc/16/93/66/1030169366.db2.gz BNEQCQSEJVPNSP-MSOLQXFVSA-N 2 0 303.494 3.504 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000866239529 1030173404 /nfs/dbraw/zinc/17/34/04/1030173404.db2.gz XXRBSAFOJNZEHU-LSTHTHJFSA-N 2 0 323.484 3.772 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924856254 1030208905 /nfs/dbraw/zinc/20/89/05/1030208905.db2.gz VSFLSVBLOSPXME-GOSISDBHSA-N 2 0 317.864 3.756 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000924959563 1030233429 /nfs/dbraw/zinc/23/34/29/1030233429.db2.gz PIUCHCHUNIBYFG-CYBMUJFWSA-N 2 0 301.434 3.594 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924960659 1030234660 /nfs/dbraw/zinc/23/46/60/1030234660.db2.gz QOCAEKWIJZATJI-QWFCFKBJSA-N 2 0 315.505 3.503 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000924953525 1030235234 /nfs/dbraw/zinc/23/52/34/1030235234.db2.gz CSYXIAPPUQWSIH-NRFANRHFSA-N 2 0 323.484 3.801 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924960657 1030235850 /nfs/dbraw/zinc/23/58/50/1030235850.db2.gz QOCAEKWIJZATJI-GGPKGHCWSA-N 2 0 315.505 3.503 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000290888698 1030238302 /nfs/dbraw/zinc/23/83/02/1030238302.db2.gz MSTAAKJHWIZGEV-UHFFFAOYSA-N 2 0 316.276 3.600 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866351726 1030247169 /nfs/dbraw/zinc/24/71/69/1030247169.db2.gz MGLAGOPMBHOBQC-TZIWHRDSSA-N 2 0 323.484 3.890 20 0 DHADRP Cc1ccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000533288717 1030248164 /nfs/dbraw/zinc/24/81/64/1030248164.db2.gz XHMFJFCKSINOIH-GOSISDBHSA-N 2 0 318.530 3.813 20 0 DHADRP CC[N@@H+]1CC[C@H](NCc2ccc(-c3csc(C)n3)o2)[C@@H](C)C1 ZINC000358015860 1030278932 /nfs/dbraw/zinc/27/89/32/1030278932.db2.gz FXMSOHBCLVWWST-WFASDCNBSA-N 2 0 319.474 3.531 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCc3nccs3)CC2)C1 ZINC000358043898 1030298183 /nfs/dbraw/zinc/29/81/83/1030298183.db2.gz WZZGICRUGUCMRJ-DOTOQJQBSA-N 2 0 321.534 3.708 20 0 DHADRP c1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246106148 1030303079 /nfs/dbraw/zinc/30/30/79/1030303079.db2.gz JNFLFHYSTDLSGK-HNAYVOBHSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000925200845 1030303411 /nfs/dbraw/zinc/30/34/11/1030303411.db2.gz BTZGFTHPGCIFGI-ROUUACIJSA-N 2 0 311.473 3.513 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)s1 ZINC000866467317 1030306560 /nfs/dbraw/zinc/30/65/60/1030306560.db2.gz DEEUGFMFXJNLQQ-ZDUSSCGKSA-N 2 0 309.523 3.921 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000866470109 1030309999 /nfs/dbraw/zinc/30/99/99/1030309999.db2.gz RPHFUDUUNRYPNN-CQSZACIVSA-N 2 0 309.885 3.896 20 0 DHADRP C1CC1[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000925229868 1030311764 /nfs/dbraw/zinc/31/17/64/1030311764.db2.gz QJORKIIHVQMHGM-DCCYDQLOSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925232752 1030313057 /nfs/dbraw/zinc/31/30/57/1030313057.db2.gz MYOIHPOTXAIMKR-CQSZACIVSA-N 2 0 307.482 3.700 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925230586 1030314711 /nfs/dbraw/zinc/31/47/11/1030314711.db2.gz YLDMJQBNZOATNC-NVPAJSRCSA-N 2 0 305.466 3.739 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000358086146 1030319107 /nfs/dbraw/zinc/31/91/07/1030319107.db2.gz OLPQKTNNRDPPLU-OLZOCXBDSA-N 2 0 303.475 3.729 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000866505466 1030329379 /nfs/dbraw/zinc/32/93/79/1030329379.db2.gz MKQBPEZVRRYOEQ-UHFFFAOYSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925395293 1030355076 /nfs/dbraw/zinc/35/50/76/1030355076.db2.gz UYWOOEVXTLAZJG-IIBYNOLFSA-N 2 0 324.468 3.713 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)C[C@@H]([NH3+])C1 ZINC000925477289 1030372201 /nfs/dbraw/zinc/37/22/01/1030372201.db2.gz JAYSRRFZOWMUCK-QYZOEREBSA-N 2 0 309.457 3.667 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000925498970 1030378456 /nfs/dbraw/zinc/37/84/56/1030378456.db2.gz UOMLEWCSQHLOJL-CTNGQTDRSA-N 2 0 323.484 3.725 20 0 DHADRP C[C@H]([NH2+][C@H](Cc1cccnc1)C1CCCC1)C1CC[NH+](C)CC1 ZINC000866607106 1030396506 /nfs/dbraw/zinc/39/65/06/1030396506.db2.gz AEAHAFOHRHHKKI-OXJNMPFZSA-N 2 0 315.505 3.503 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171032593 1030396514 /nfs/dbraw/zinc/39/65/14/1030396514.db2.gz GXTIDLAIXMDRJH-BDVYOWHSSA-N 2 0 320.908 3.907 20 0 DHADRP CCOc1cc(C)ccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925553622 1030401213 /nfs/dbraw/zinc/40/12/13/1030401213.db2.gz UIFGRUMCKLJIKR-IBGZPJMESA-N 2 0 312.457 3.964 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925564830 1030406565 /nfs/dbraw/zinc/40/65/65/1030406565.db2.gz VZNFFTJNPFVAGC-QAPCUYQASA-N 2 0 302.462 3.501 20 0 DHADRP COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925603731 1030417097 /nfs/dbraw/zinc/41/70/97/1030417097.db2.gz RDENHPYACWXNTM-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000925604121 1030419135 /nfs/dbraw/zinc/41/91/35/1030419135.db2.gz HVBMINYNVIBOLE-QZTJIDSGSA-N 2 0 314.404 3.719 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OCC(C)C)c2)CC1 ZINC000066152298 1030423806 /nfs/dbraw/zinc/42/38/06/1030423806.db2.gz GEWNFMWEWKMEII-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925626077 1030425065 /nfs/dbraw/zinc/42/50/65/1030425065.db2.gz NPJOENGPJPHANW-NQYYFHDYSA-N 2 0 316.489 3.650 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000866717536 1030431717 /nfs/dbraw/zinc/43/17/17/1030431717.db2.gz HPKBZTITVJPWMR-SFHVURJKSA-N 2 0 316.489 3.654 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000925657968 1030442880 /nfs/dbraw/zinc/44/28/80/1030442880.db2.gz VRTVQRNVENLBEO-POLLQYMGSA-N 2 0 304.865 3.692 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](c3ccccc3Cl)C1)[NH2+]2 ZINC000925677047 1030451250 /nfs/dbraw/zinc/45/12/50/1030451250.db2.gz VKKKCUSVXCXOQQ-PHEWQEMJSA-N 2 0 304.865 3.705 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925688895 1030456103 /nfs/dbraw/zinc/45/61/03/1030456103.db2.gz GZGLKDQAUYMFNW-JBACZVJFSA-N 2 0 324.468 3.869 20 0 DHADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925700403 1030458348 /nfs/dbraw/zinc/45/83/48/1030458348.db2.gz SYZSTIBCHZLZRB-VQTJNVASSA-N 2 0 309.457 3.716 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccccc1 ZINC000925701646 1030458855 /nfs/dbraw/zinc/45/88/55/1030458855.db2.gz CQLYWQSLHVTZRT-VQTJNVASSA-N 2 0 323.484 3.873 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccccc1 ZINC000925726355 1030465062 /nfs/dbraw/zinc/46/50/62/1030465062.db2.gz RPOGEYWMZOBBLU-PKOBYXMFSA-N 2 0 309.457 3.656 20 0 DHADRP Clc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000121723367 1030468759 /nfs/dbraw/zinc/46/87/59/1030468759.db2.gz OTZUASBKKCGTBT-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000925734372 1030469678 /nfs/dbraw/zinc/46/96/78/1030469678.db2.gz OIPHVUHYBNDMOV-MWOCUCMRSA-N 2 0 316.411 3.627 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC(C)(C)[NH3+] ZINC000925738300 1030472457 /nfs/dbraw/zinc/47/24/57/1030472457.db2.gz QABCLGLAPKLMID-GFCCVEGCSA-N 2 0 302.384 3.744 20 0 DHADRP CC(C)C[C@H]1CCC[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000925750487 1030479508 /nfs/dbraw/zinc/47/95/08/1030479508.db2.gz GKPFPGFUDCEVLT-ZIAGYGMSSA-N 2 0 307.507 3.565 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(SC(F)(F)F)c1 ZINC000925776927 1030492835 /nfs/dbraw/zinc/49/28/35/1030492835.db2.gz AZOIKOYISOSCET-ZJUUUORDSA-N 2 0 304.381 3.557 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc2ccccc21 ZINC000925781460 1030496413 /nfs/dbraw/zinc/49/64/13/1030496413.db2.gz YRTYUUJDKVWDTD-ZFWWWQNUSA-N 2 0 304.384 3.735 20 0 DHADRP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccs1 ZINC000925786959 1030498117 /nfs/dbraw/zinc/49/81/17/1030498117.db2.gz YFCVHKFMAIHSEB-QWHCGFSZSA-N 2 0 302.434 3.670 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccs1 ZINC000925786960 1030498750 /nfs/dbraw/zinc/49/87/50/1030498750.db2.gz YFCVHKFMAIHSEB-STQMWFEESA-N 2 0 302.434 3.670 20 0 DHADRP FC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000558257536 1030504008 /nfs/dbraw/zinc/50/40/08/1030504008.db2.gz QWJLPWFCYDXCKB-IPMKNSEASA-N 2 0 316.464 3.769 20 0 DHADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806998 1030506257 /nfs/dbraw/zinc/50/62/57/1030506257.db2.gz HDIVCOMQMVXLMH-SFHVURJKSA-N 2 0 301.478 3.609 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccs2)[C@H](C)C1 ZINC000246392116 1030507086 /nfs/dbraw/zinc/50/70/86/1030507086.db2.gz AYTHYABSPIZFLN-OAGGEKHMSA-N 2 0 310.507 3.536 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)cc1O ZINC000925807528 1030507115 /nfs/dbraw/zinc/50/71/15/1030507115.db2.gz KEDKLWCFQFIIBP-OAHLLOKOSA-N 2 0 320.477 3.611 20 0 DHADRP c1ccc2ncc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000925830732 1030513084 /nfs/dbraw/zinc/51/30/84/1030513084.db2.gz GXILJWKLXMHNFP-SESVDKBCSA-N 2 0 323.484 3.678 20 0 DHADRP Cc1nc2c(cccc2CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000925838938 1030517747 /nfs/dbraw/zinc/51/77/47/1030517747.db2.gz OYKVBDORBNHRSU-YOEHRIQHSA-N 2 0 315.461 3.579 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)oc21 ZINC000925847841 1030519002 /nfs/dbraw/zinc/51/90/02/1030519002.db2.gz YSHKKFQXTNJXBK-OMWUSAIZSA-N 2 0 314.429 3.624 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)oc21 ZINC000925847840 1030519813 /nfs/dbraw/zinc/51/98/13/1030519813.db2.gz YSHKKFQXTNJXBK-BOFPYLFWSA-N 2 0 314.429 3.624 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2ccccc2)c1 ZINC000925875892 1030529471 /nfs/dbraw/zinc/52/94/71/1030529471.db2.gz ORHCBBCATILPLN-SLYNCCJLSA-N 2 0 324.468 3.696 20 0 DHADRP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)c3ccccc3O2)cc1 ZINC000925877217 1030530067 /nfs/dbraw/zinc/53/00/67/1030530067.db2.gz GDNHGGPVWNHJPQ-QFUCXCTJSA-N 2 0 322.452 3.983 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000925881241 1030531823 /nfs/dbraw/zinc/53/18/23/1030531823.db2.gz GOKNUWOFCFMRGI-PCCBWWKXSA-N 2 0 321.468 3.572 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925886573 1030533635 /nfs/dbraw/zinc/53/36/35/1030533635.db2.gz IGXCLXOAWIFZAO-BMFZPTHFSA-N 2 0 314.395 3.756 20 0 DHADRP C[C@@H](CCc1ccsc1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925886926 1030535266 /nfs/dbraw/zinc/53/52/66/1030535266.db2.gz NGUNPBDBOOBIBY-ZYSHUDEJSA-N 2 0 314.498 3.718 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883026 1030535280 /nfs/dbraw/zinc/53/52/80/1030535280.db2.gz RKNBMSRCHDZRGC-UTUOFQBUSA-N 2 0 301.261 3.641 20 0 DHADRP CCOc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246524719 1030634334 /nfs/dbraw/zinc/63/43/34/1030634334.db2.gz JBHBWWNWEPRBRT-QFBILLFUSA-N 2 0 314.473 3.534 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000246589505 1030640188 /nfs/dbraw/zinc/64/01/88/1030640188.db2.gz ZHABOTQVXYQQDY-POAQFYNOSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926199100 1030652522 /nfs/dbraw/zinc/65/25/22/1030652522.db2.gz XZYDXLSNQIXKGN-RYGJVYDSSA-N 2 0 316.489 3.604 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000246809392 1030652807 /nfs/dbraw/zinc/65/28/07/1030652807.db2.gz ABZSBOPLUIDXPU-HRCADAONSA-N 2 0 320.477 3.536 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)[C@H](C)C1 ZINC000247078566 1030675304 /nfs/dbraw/zinc/67/53/04/1030675304.db2.gz QRMZWDZZGZSYIR-HOJAQTOUSA-N 2 0 318.505 3.864 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCO[C@H]21 ZINC000247089232 1030675710 /nfs/dbraw/zinc/67/57/10/1030675710.db2.gz NUZNSZGZDUPFAM-GUDVDZBRSA-N 2 0 320.521 3.577 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000247087405 1030676795 /nfs/dbraw/zinc/67/67/95/1030676795.db2.gz PEHGQXPHHNFRBK-AEFFLSMTSA-N 2 0 314.473 3.754 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246923693 1030677383 /nfs/dbraw/zinc/67/73/83/1030677383.db2.gz GVUSRSMTWLKCGU-QZTJIDSGSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926415471 1030728504 /nfs/dbraw/zinc/72/85/04/1030728504.db2.gz JHVNLARRCQXMPM-QGZVFWFLSA-N 2 0 323.484 3.916 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699502 1030734654 /nfs/dbraw/zinc/73/46/54/1030734654.db2.gz NKJKNDYXQMYBPU-DFQSSKMNSA-N 2 0 316.489 3.685 20 0 DHADRP Clc1ccnc2c1CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486589 1030760666 /nfs/dbraw/zinc/76/06/66/1030760666.db2.gz ILTQSLSVHJETHK-MRXNPFEDSA-N 2 0 307.869 3.578 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248773537 1030767556 /nfs/dbraw/zinc/76/75/56/1030767556.db2.gz ATDZVKDNIZTHMN-ZWKOTPCHSA-N 2 0 308.510 3.532 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCSc3ccc(OC)cc32)C1 ZINC000248856380 1030774518 /nfs/dbraw/zinc/77/45/18/1030774518.db2.gz RFISHWVKJOEDRX-PBHICJAKSA-N 2 0 320.502 3.554 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000926574242 1030805596 /nfs/dbraw/zinc/80/55/96/1030805596.db2.gz VIGOMAYZZWMDNN-GHTZIAJQSA-N 2 0 323.484 3.801 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359275945 1030880513 /nfs/dbraw/zinc/88/05/13/1030880513.db2.gz GIULEHAGXTWREW-QGZVFWFLSA-N 2 0 319.449 3.552 20 0 DHADRP C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926731968 1030891809 /nfs/dbraw/zinc/89/18/09/1030891809.db2.gz NOCNTQFRWVCWFQ-YRNRMSPPSA-N 2 0 312.457 3.521 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1ncco1 ZINC000926791598 1030929766 /nfs/dbraw/zinc/92/97/66/1030929766.db2.gz RNXREJJRYBLKMM-MRXNPFEDSA-N 2 0 313.445 3.628 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000161580459 1030929793 /nfs/dbraw/zinc/92/97/93/1030929793.db2.gz YQXZRFADFILNRW-PBHICJAKSA-N 2 0 306.881 3.692 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CCC2CC[NH+](C(C)C)CC2)CC1 ZINC000926791267 1030930207 /nfs/dbraw/zinc/93/02/07/1030930207.db2.gz QNMABAWUGMGZOP-UHFFFAOYSA-N 3 0 323.569 3.597 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000926797721 1030935123 /nfs/dbraw/zinc/93/51/23/1030935123.db2.gz PWMDHEKCNYRCOM-BXXUTWAOSA-N 2 0 315.505 3.645 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@H](O)c1ccccc1 ZINC000926838213 1030949012 /nfs/dbraw/zinc/94/90/12/1030949012.db2.gz RKQZVANFXBXHSX-WOJBJXKFSA-N 2 0 318.505 3.599 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000926880048 1030963845 /nfs/dbraw/zinc/96/38/45/1030963845.db2.gz RJYHGGLFRFRMRC-ZNXRZULTSA-N 2 0 310.551 3.761 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC1 ZINC000926878697 1030964434 /nfs/dbraw/zinc/96/44/34/1030964434.db2.gz ROPAXJDRAABOTB-LJQANCHMSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cccc(C[NH+](C)C)c1 ZINC000926920215 1030994271 /nfs/dbraw/zinc/99/42/71/1030994271.db2.gz PPUQUXZXZFFGIS-JKSUJKDBSA-N 2 0 324.468 3.922 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000926952310 1031014112 /nfs/dbraw/zinc/01/41/12/1031014112.db2.gz RZPJUJRRZQJECE-OSAQELSMSA-N 2 0 309.335 3.721 20 0 DHADRP CSc1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)ccn1 ZINC000925295848 1031015296 /nfs/dbraw/zinc/01/52/96/1031015296.db2.gz UBSHUPQREYILRN-CQSZACIVSA-N 2 0 315.486 3.716 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000927035854 1031042525 /nfs/dbraw/zinc/04/25/25/1031042525.db2.gz CKNFHLVEQIZBKM-AJPWXKBRSA-N 2 0 314.473 3.766 20 0 DHADRP CC(C)[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000927071810 1031072891 /nfs/dbraw/zinc/07/28/91/1031072891.db2.gz VDRXRNYKEIENQI-BEFAXECRSA-N 2 0 314.477 3.530 20 0 DHADRP Cc1c(C[NH+]2CC3(C2)CC[NH+](C)CC3)cccc1C(F)(F)F ZINC001143929964 1031085637 /nfs/dbraw/zinc/08/56/37/1031085637.db2.gz GGHZPXLUWKJPBF-UHFFFAOYSA-N 2 0 312.379 3.541 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@]24C[C@H]2CCC4)C3)cc1 ZINC000927119015 1031103436 /nfs/dbraw/zinc/10/34/36/1031103436.db2.gz IOOLRBBTJOPIMG-ADAARDCZSA-N 2 0 310.485 3.962 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000927128776 1031108806 /nfs/dbraw/zinc/10/88/06/1031108806.db2.gz MPAAZPYNTRXYIH-VQIMIIECSA-N 2 0 316.489 3.891 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000123479066 1031135075 /nfs/dbraw/zinc/13/50/75/1031135075.db2.gz AIGBYNDIGLYFIB-QZTJIDSGSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171148197 1031299647 /nfs/dbraw/zinc/29/96/47/1031299647.db2.gz OPFWLRAAQNMESC-LBPRGKRZSA-N 2 0 315.288 3.956 20 0 DHADRP CC[C@@H]1CC[C@H](C)[NH+]1CC1(C[N@@H+]2[C@H](CC)CC[C@@H]2C)COC1 ZINC000360213618 1031328224 /nfs/dbraw/zinc/32/82/24/1031328224.db2.gz QCLGMSLXYVKBMO-WNRNVDISSA-N 2 0 308.510 3.529 20 0 DHADRP CC(C)[NH2+]C1CCN(C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000293159670 1031355138 /nfs/dbraw/zinc/35/51/38/1031355138.db2.gz MVUVOFIATSYHLD-LJQANCHMSA-N 2 0 304.478 3.615 20 0 DHADRP CCCCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000536658492 1031361064 /nfs/dbraw/zinc/36/10/64/1031361064.db2.gz CWLGCOCQXHSBQF-LJQANCHMSA-N 2 0 316.489 3.783 20 0 DHADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccncc1 ZINC000360336205 1031383074 /nfs/dbraw/zinc/38/30/74/1031383074.db2.gz JJDBNYRVMDHETO-GHTZIAJQSA-N 2 0 323.484 3.514 20 0 DHADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccncc1 ZINC000360336207 1031384029 /nfs/dbraw/zinc/38/40/29/1031384029.db2.gz JJDBNYRVMDHETO-RXVVDRJESA-N 2 0 323.484 3.514 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844925514 1031403580 /nfs/dbraw/zinc/40/35/80/1031403580.db2.gz QWOKLSAFSMFYPL-HZSPNIEDSA-N 2 0 307.309 3.861 20 0 DHADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000844926951 1031406845 /nfs/dbraw/zinc/40/68/45/1031406845.db2.gz XCPSBYSWFSIQOF-LJISPDSOSA-N 2 0 319.320 3.861 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000666855488 1031409344 /nfs/dbraw/zinc/40/93/44/1031409344.db2.gz VJOZUKHLCBTFIT-ZDUSSCGKSA-N 2 0 304.434 3.786 20 0 DHADRP Fc1cccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)s2)c1 ZINC000666855291 1031419650 /nfs/dbraw/zinc/41/96/50/1031419650.db2.gz KTXQLPIIIUBRPT-OAHLLOKOSA-N 2 0 304.434 3.786 20 0 DHADRP Fc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1-c1cccs1 ZINC000666855193 1031420450 /nfs/dbraw/zinc/42/04/50/1031420450.db2.gz DKYOKDFRFGXQPY-CQSZACIVSA-N 2 0 304.434 3.786 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000360428539 1031423784 /nfs/dbraw/zinc/42/37/84/1031423784.db2.gz ODBJOQCHYNZWPE-WMZOPIPTSA-N 2 0 302.462 3.530 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)c2ccccn2)CC1)CC1CC1 ZINC000536737446 1031429941 /nfs/dbraw/zinc/42/99/41/1031429941.db2.gz GTBDQSWQTNDHIQ-QGZVFWFLSA-N 2 0 315.505 3.977 20 0 DHADRP Clc1ccccc1SCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360548645 1031470428 /nfs/dbraw/zinc/47/04/28/1031470428.db2.gz VBAWOCJPLWGEON-MRXNPFEDSA-N 2 0 310.894 3.508 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)C(C)C)cc1 ZINC000536962141 1031476642 /nfs/dbraw/zinc/47/66/42/1031476642.db2.gz CEUPERIRJYEUFI-IBGZPJMESA-N 2 0 304.478 3.858 20 0 DHADRP CCc1onc(C)c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929261680 1031478417 /nfs/dbraw/zinc/47/84/17/1031478417.db2.gz IYXVXIPGEDJGKV-UHFFFAOYSA-N 2 0 319.493 3.633 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929328467 1031495692 /nfs/dbraw/zinc/49/56/92/1031495692.db2.gz XQPXHEPLJOPBJG-QZTJIDSGSA-N 2 0 322.443 3.699 20 0 DHADRP COCC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000872106227 1031496077 /nfs/dbraw/zinc/49/60/77/1031496077.db2.gz PTYJIZGDKKHHCE-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP COCC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000872106230 1031496347 /nfs/dbraw/zinc/49/63/47/1031496347.db2.gz PTYJIZGDKKHHCE-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCCc2ccncc2)C1)C1CCCC1 ZINC000872157174 1031536428 /nfs/dbraw/zinc/53/64/28/1031536428.db2.gz NHYSFGZCUDTRBR-UYAOXDASSA-N 2 0 315.505 3.634 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000872155380 1031536591 /nfs/dbraw/zinc/53/65/91/1031536591.db2.gz LQDDYHWDXHIVCF-ZDUSSCGKSA-N 2 0 300.393 3.800 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1csc(-c2ccccc2F)n1 ZINC000872155859 1031536984 /nfs/dbraw/zinc/53/69/84/1031536984.db2.gz YPARMKBEDCSPQZ-UHFFFAOYSA-N 2 0 321.465 3.900 20 0 DHADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1)C1CCCC1 ZINC000872157495 1031540232 /nfs/dbraw/zinc/54/02/32/1031540232.db2.gz OZGAZKYVGBHEAJ-BHIYHBOVSA-N 2 0 308.510 3.565 20 0 DHADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1)C1CCCC1 ZINC000872158625 1031540498 /nfs/dbraw/zinc/54/04/98/1031540498.db2.gz WKIWJFWSVTYXTL-KDOFPFPSSA-N 2 0 317.477 3.672 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000360772882 1031555977 /nfs/dbraw/zinc/55/59/77/1031555977.db2.gz OOKFNZKZTHWHFV-VYDXJSESSA-N 2 0 312.461 3.738 20 0 DHADRP C[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C[NH+]1CCCCC1 ZINC000360837782 1031582446 /nfs/dbraw/zinc/58/24/46/1031582446.db2.gz RITFCNRBCDLMSR-LPHOPBHVSA-N 2 0 301.478 3.634 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000537406428 1031593202 /nfs/dbraw/zinc/59/32/02/1031593202.db2.gz IBEDXFRRIJTXQA-RDGPPVDQSA-N 2 0 310.526 3.680 20 0 DHADRP C[N@H+](CCCC(C)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929754421 1031597942 /nfs/dbraw/zinc/59/79/42/1031597942.db2.gz NXTKXHZVROUVEZ-QGZVFWFLSA-N 2 0 310.432 3.876 20 0 DHADRP CC(C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(F)c1 ZINC000873206686 1031757711 /nfs/dbraw/zinc/75/77/11/1031757711.db2.gz JDAVRNMYQBZKOF-UHFFFAOYSA-N 2 0 304.434 3.558 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211218 1031760520 /nfs/dbraw/zinc/76/05/20/1031760520.db2.gz KLYJNTAUYIRCSU-MRXNPFEDSA-N 2 0 318.873 3.824 20 0 DHADRP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000873214097 1031761305 /nfs/dbraw/zinc/76/13/05/1031761305.db2.gz XWWQNFZAMWDHFR-LLVKDONJSA-N 2 0 306.862 3.898 20 0 DHADRP Cc1cccc(C(C)(C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873207338 1031762194 /nfs/dbraw/zinc/76/21/94/1031762194.db2.gz WAAXGNAVWZQMQP-UHFFFAOYSA-N 2 0 300.471 3.727 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000873231872 1031766688 /nfs/dbraw/zinc/76/66/88/1031766688.db2.gz XDACGHQXKIYDIK-UHFFFAOYSA-N 2 0 320.868 3.681 20 0 DHADRP [NH3+][C@H](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000873234522 1031767098 /nfs/dbraw/zinc/76/70/98/1031767098.db2.gz FWAAAJJRSQBZKN-BZUAXINKSA-N 2 0 314.395 3.657 20 0 DHADRP [NH3+][C@H](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000873234524 1031768428 /nfs/dbraw/zinc/76/84/28/1031768428.db2.gz FWAAAJJRSQBZKN-XHSDSOJGSA-N 2 0 314.395 3.657 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000873256696 1031776331 /nfs/dbraw/zinc/77/63/31/1031776331.db2.gz OWXAGVRWMCECFQ-NJDAHSKKSA-N 2 0 308.469 3.557 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2ccccc2c1OC(F)F ZINC000873258801 1031776767 /nfs/dbraw/zinc/77/67/67/1031776767.db2.gz VGKPVTDNGDPBJC-YRGRVCCFSA-N 2 0 320.383 3.829 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000873258647 1031777544 /nfs/dbraw/zinc/77/75/44/1031777544.db2.gz TYBOKTOFCKJJLT-MPESAESLSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000873256426 1031777582 /nfs/dbraw/zinc/77/75/82/1031777582.db2.gz MMBPXYNLAJZRAK-UIBBOPPKSA-N 2 0 312.379 3.668 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259283 1031777804 /nfs/dbraw/zinc/77/78/04/1031777804.db2.gz BIOGYIXHLQCLLT-RJZRQDKASA-N 2 0 308.853 3.530 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000873259578 1031778051 /nfs/dbraw/zinc/77/80/51/1031778051.db2.gz HQHFUKSPMWUJRN-DUFGSWQCSA-N 2 0 324.415 3.859 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263326 1031779848 /nfs/dbraw/zinc/77/98/48/1031779848.db2.gz IEEPEXQQIJFRBO-ZWUHOBOKSA-N 2 0 322.905 3.997 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000873268667 1031782383 /nfs/dbraw/zinc/78/23/83/1031782383.db2.gz GECRZEIBQAQVHT-IIBYNOLFSA-N 2 0 324.468 3.762 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527652478 1031783700 /nfs/dbraw/zinc/78/37/00/1031783700.db2.gz DTFKJRGODROMCM-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000873272712 1031784473 /nfs/dbraw/zinc/78/44/73/1031784473.db2.gz ASVJQXAIXSVDDU-XKQJLSEDSA-N 2 0 310.869 3.667 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](Cc2cccnc2)C2CCCC2)c2ccccc21 ZINC000873276717 1031785160 /nfs/dbraw/zinc/78/51/60/1031785160.db2.gz WEAVKXYMDCTNHA-NJYVYQBISA-N 2 0 321.468 3.917 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000873281500 1031787763 /nfs/dbraw/zinc/78/77/63/1031787763.db2.gz KALDCHVRSNGYRV-YNEHKIRRSA-N 2 0 318.408 3.777 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290180 1031790959 /nfs/dbraw/zinc/79/09/59/1031790959.db2.gz OQICNKTXNFBFMT-LPHOPBHVSA-N 2 0 316.489 3.619 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000873291853 1031793156 /nfs/dbraw/zinc/79/31/56/1031793156.db2.gz YMUWEXHPNSWIAR-SJORKVTESA-N 2 0 322.880 3.539 20 0 DHADRP [NH3+]CCCCCC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000846218124 1031930198 /nfs/dbraw/zinc/93/01/98/1031930198.db2.gz LTRIZIIHPXZYMD-GOSISDBHSA-N 2 0 324.896 3.605 20 0 DHADRP [NH3+]CCCCCC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000846217688 1031930560 /nfs/dbraw/zinc/93/05/60/1031930560.db2.gz LTZMMLQVRKCOFP-UHFFFAOYSA-N 2 0 304.478 3.556 20 0 DHADRP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846221184 1031935042 /nfs/dbraw/zinc/93/50/42/1031935042.db2.gz ICTURADJDJDEIL-GOSISDBHSA-N 2 0 314.477 3.712 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000044517713 1032050132 /nfs/dbraw/zinc/05/01/32/1032050132.db2.gz KZRNTGZLPGUXFO-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000044515883 1032051184 /nfs/dbraw/zinc/05/11/84/1032051184.db2.gz HAVDDRFLTOZCTO-GFCCVEGCSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000044515443 1032051829 /nfs/dbraw/zinc/05/18/29/1032051829.db2.gz RFHCPWBKPCTGRG-LBPRGKRZSA-N 2 0 300.368 3.698 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]C2CC(C)(C)OC(C)(C)C2)c1 ZINC001172643935 1033302716 /nfs/dbraw/zinc/30/27/16/1033302716.db2.gz GRDWBZZPQSJSBT-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP [NH3+]CCc1cn([C@H]2Cc3ccc(Cl)cc3C2)c2cc[nH+]cc12 ZINC001172717118 1033322500 /nfs/dbraw/zinc/32/25/00/1033322500.db2.gz PQNDSDSLECNTJM-INIZCTEOSA-N 2 0 311.816 3.531 20 0 DHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001172719056 1033323017 /nfs/dbraw/zinc/32/30/17/1033323017.db2.gz ZGIGREUTOBSWDS-IBGZPJMESA-N 2 0 318.892 3.661 20 0 DHADRP [NH3+]CCC[N@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC001172709399 1033345113 /nfs/dbraw/zinc/34/51/13/1033345113.db2.gz ZGYHJNPMFAPTNP-GOSISDBHSA-N 2 0 306.881 3.791 20 0 DHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001172714637 1033350911 /nfs/dbraw/zinc/35/09/11/1033350911.db2.gz BRFXTJTVSYBZJB-SFHVURJKSA-N 2 0 318.892 3.661 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877584607 1033368818 /nfs/dbraw/zinc/36/88/18/1033368818.db2.gz HTNYNJZQFFRHTM-GFCCVEGCSA-N 2 0 323.893 3.771 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927033183 1033369365 /nfs/dbraw/zinc/36/93/65/1033369365.db2.gz RJJHUUNYGLEUON-BFYDXBDKSA-N 2 0 322.518 3.562 20 0 DHADRP CCOc1ccccc1[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000477920918 1033376427 /nfs/dbraw/zinc/37/64/27/1033376427.db2.gz VZVYTZZLDAUMQZ-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH3+])CN[C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000643529149 1033392933 /nfs/dbraw/zinc/39/29/33/1033392933.db2.gz WADAYKJBRJGUPF-GWCFXTLKSA-N 2 0 321.877 3.778 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(CC3CCC3)CC1)CC2 ZINC001172829067 1033392984 /nfs/dbraw/zinc/39/29/84/1033392984.db2.gz SPJYKHGFXQUWRB-HXUWFJFHSA-N 2 0 312.501 3.836 20 0 DHADRP Clc1cc([C@@H](NC2CC[NH+](CC3CC3)CC2)C2CC2)ccn1 ZINC001168360491 1033393421 /nfs/dbraw/zinc/39/34/21/1033393421.db2.gz RBFKNNYPQCTOHH-SFHVURJKSA-N 2 0 319.880 3.650 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)CC2 ZINC001172836766 1033398635 /nfs/dbraw/zinc/39/86/35/1033398635.db2.gz XBXNEQMVOKRSFX-YLJYHZDGSA-N 2 0 300.490 3.706 20 0 DHADRP CSc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000877684334 1033409802 /nfs/dbraw/zinc/40/98/02/1033409802.db2.gz MNZQSBGFXOBOBQ-UHFFFAOYSA-N 2 0 310.532 3.778 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1c(F)cccc1Cl ZINC001172860890 1033433219 /nfs/dbraw/zinc/43/32/19/1033433219.db2.gz IBYCDSLMACLOHS-ZDUSSCGKSA-N 2 0 300.849 3.684 20 0 DHADRP CC(C)C[N@@H+](Cc1scnc1C1CC1)CC1CC[NH+](C)CC1 ZINC000877767518 1033438645 /nfs/dbraw/zinc/43/86/45/1033438645.db2.gz LSHDVQDWYSDKAP-UHFFFAOYSA-N 2 0 321.534 3.820 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001172878821 1033452085 /nfs/dbraw/zinc/45/20/85/1033452085.db2.gz KRMCJVWEZJIPER-DZGCQCFKSA-N 2 0 312.910 3.895 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534276 1033462058 /nfs/dbraw/zinc/46/20/58/1033462058.db2.gz PIUOSVLUFQPMBX-AAEUAGOBSA-N 2 0 307.507 3.542 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000151575110 1033466594 /nfs/dbraw/zinc/46/65/94/1033466594.db2.gz QGIBVZVNPPQQTA-AWEZNQCLSA-N 2 0 310.869 3.570 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643535161 1033469499 /nfs/dbraw/zinc/46/94/99/1033469499.db2.gz JSTVYKUKJZXGJZ-PKOBYXMFSA-N 2 0 314.473 3.755 20 0 DHADRP C[C@@H]([NH2+]C1(C)CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877834109 1033478680 /nfs/dbraw/zinc/47/86/80/1033478680.db2.gz NVHOCMDICMYYBD-ZBFHGGJFSA-N 2 0 308.416 3.674 20 0 DHADRP CCCOC1CCC([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001173090143 1033521550 /nfs/dbraw/zinc/52/15/50/1033521550.db2.gz STOWOJFDPGPXDA-FLAMNCDFSA-N 2 0 310.526 3.858 20 0 DHADRP CCCOC1CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173093272 1033523806 /nfs/dbraw/zinc/52/38/06/1033523806.db2.gz BQUPXYGVAYTJLA-VHQLZKCGSA-N 2 0 308.510 3.849 20 0 DHADRP CCCOC1CCC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001173093213 1033524032 /nfs/dbraw/zinc/52/40/32/1033524032.db2.gz ACXZVZDWPDKYBA-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000877967610 1033535368 /nfs/dbraw/zinc/53/53/68/1033535368.db2.gz CCYYPVGJAKPNLQ-KRWDZBQOSA-N 2 0 310.526 3.634 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC001173102622 1033539312 /nfs/dbraw/zinc/53/93/12/1033539312.db2.gz AUODMKJIVHNZTG-LEOMRAHMSA-N 2 0 320.452 3.892 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCc2ccc(OC)cc2)CC1 ZINC001173101937 1033539593 /nfs/dbraw/zinc/53/95/93/1033539593.db2.gz PVJCUAHDVWXXHD-UHFFFAOYSA-N 2 0 318.505 3.870 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC001173102619 1033539975 /nfs/dbraw/zinc/53/99/75/1033539975.db2.gz AUODMKJIVHNZTG-HTWSVDAQSA-N 2 0 320.452 3.892 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC001173102953 1033540081 /nfs/dbraw/zinc/54/00/81/1033540081.db2.gz DXGRILSVOIQJKV-RJYAGPCLSA-N 2 0 316.489 3.925 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC001173102090 1033540534 /nfs/dbraw/zinc/54/05/34/1033540534.db2.gz RZKMPJSHMBYJOH-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173103712 1033541198 /nfs/dbraw/zinc/54/11/98/1033541198.db2.gz PTKQXMJBLMHDEB-VIQWUECVSA-N 3 0 311.558 3.740 20 0 DHADRP CC[NH+](CC)C1CCC(n2c3ccccc3nc2[C@@H](C)[NH3+])CC1 ZINC001173105408 1033542345 /nfs/dbraw/zinc/54/23/45/1033542345.db2.gz SISWBVIKQZPTGA-QQFBHYJXSA-N 2 0 314.477 3.882 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2ccccc2)C(C)(C)O)CC1 ZINC001173105681 1033542671 /nfs/dbraw/zinc/54/26/71/1033542671.db2.gz AVKHBLVVAWDKCF-ACBHZAAOSA-N 2 0 318.505 3.741 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173105751 1033543219 /nfs/dbraw/zinc/54/32/19/1033543219.db2.gz DGAJHHGQBBVYMM-OFVLBHHSSA-N 3 0 321.553 3.621 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3cc(C)ncc32)CC1 ZINC001173106243 1033543584 /nfs/dbraw/zinc/54/35/84/1033543584.db2.gz KIBBIKANYRJSME-TVPLGVNVSA-N 2 0 301.478 3.620 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001173109666 1033545860 /nfs/dbraw/zinc/54/58/60/1033545860.db2.gz JGFKUKIREZMAFK-LMPOIIKSSA-N 2 0 300.437 3.617 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2Cc3ccc(F)cc3C2)CC1 ZINC001173110926 1033547270 /nfs/dbraw/zinc/54/72/70/1033547270.db2.gz UUCKZKNTNKBMHL-XBMUEBEBSA-N 2 0 304.453 3.536 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC3(CCCOC3)CC2)CC1 ZINC001173113607 1033549477 /nfs/dbraw/zinc/54/94/77/1033549477.db2.gz WWJKETKECCXKGA-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(OC)c3)CC2)C1 ZINC001173269007 1033638001 /nfs/dbraw/zinc/63/80/01/1033638001.db2.gz FNYVPCWRWWIQBD-FUHWJXTLSA-N 2 0 316.489 3.610 20 0 DHADRP CC[C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173270004 1033640734 /nfs/dbraw/zinc/64/07/34/1033640734.db2.gz MBUQPPKCOGTDLR-WNHJNPCNSA-N 2 0 301.478 3.732 20 0 DHADRP CCSC[C@H](C)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001173312209 1033665108 /nfs/dbraw/zinc/66/51/08/1033665108.db2.gz ROKJHAOJHIZWKH-KRWDZBQOSA-N 2 0 320.546 3.972 20 0 DHADRP CCSC[C@H](C)[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001173312852 1033665240 /nfs/dbraw/zinc/66/52/40/1033665240.db2.gz WTMBAHYVOYLEFQ-KRWDZBQOSA-N 2 0 318.530 3.726 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411397 1033694399 /nfs/dbraw/zinc/69/43/99/1033694399.db2.gz JFECUHBEMCTPRE-YESZJQIVSA-N 2 0 322.537 3.823 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476441 1033738221 /nfs/dbraw/zinc/73/82/21/1033738221.db2.gz XDQAESSCQUHKML-UHFFFAOYSA-N 2 0 322.443 3.675 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccnc(F)c2C)CC1 ZINC000862311148 1033814538 /nfs/dbraw/zinc/81/45/38/1033814538.db2.gz KICLHQRXHGPHNC-UHFFFAOYSA-N 2 0 321.484 3.863 20 0 DHADRP CCN1CCC[C@H]1C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173684829 1033814977 /nfs/dbraw/zinc/81/49/77/1033814977.db2.gz VOZZAJFKYSLWMC-SCCNAQOGSA-N 2 0 312.501 3.887 20 0 DHADRP Cc1cc2[nH]c(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2c(C)c1 ZINC000479577914 1033824746 /nfs/dbraw/zinc/82/47/46/1033824746.db2.gz LFTCDWJTJVGMEW-UHFFFAOYSA-N 2 0 311.473 3.891 20 0 DHADRP C[C@H]1[C@H]2CC[N@@H+]1C[C@@H]([NH2+]C1CCC3(CCc4ccccc43)CC1)C2 ZINC001173688311 1033831956 /nfs/dbraw/zinc/83/19/56/1033831956.db2.gz AVOKYRHIOGHOKO-FNSSUQAWSA-N 2 0 324.512 3.886 20 0 DHADRP C[C@]1(CN2CCC(C)([NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000879202699 1033951262 /nfs/dbraw/zinc/95/12/62/1033951262.db2.gz NBOWFPAQQNTIPD-CYBMUJFWSA-N 2 0 305.293 3.521 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](CC[C@H]1CCCC1(F)F)CC2 ZINC000879250472 1033963571 /nfs/dbraw/zinc/96/35/71/1033963571.db2.gz FTJNONQLYADNDK-OAHLLOKOSA-N 2 0 300.437 3.620 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)co1)CC2 ZINC000879250899 1033964614 /nfs/dbraw/zinc/96/46/14/1033964614.db2.gz LSQMQLXFKPAXCG-UHFFFAOYSA-N 2 0 316.367 3.606 20 0 DHADRP c1cc(C[N@@H+](CC2CC2)C2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000667587864 1034010490 /nfs/dbraw/zinc/01/04/90/1034010490.db2.gz GKJHNPXNCVVKMA-UHFFFAOYSA-N 2 0 310.445 3.812 20 0 DHADRP Cc1nc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)sc1C ZINC000879703893 1034092031 /nfs/dbraw/zinc/09/20/31/1034092031.db2.gz FHNHGOVOQIZYHX-UHFFFAOYSA-N 2 0 309.523 3.560 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863547966 1034127431 /nfs/dbraw/zinc/12/74/31/1034127431.db2.gz SQQUAUQSXNJTGT-SWLSCSKDSA-N 2 0 307.388 3.514 20 0 DHADRP C[NH+](C)Cc1ccc(-c2cccc(C[NH2+]C3CCOCC3)c2)cc1 ZINC000863691614 1034178507 /nfs/dbraw/zinc/17/85/07/1034178507.db2.gz JIHSPKUTXIDPHJ-UHFFFAOYSA-N 2 0 324.468 3.684 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000880255674 1034268248 /nfs/dbraw/zinc/26/82/48/1034268248.db2.gz UKWGABGSWDTGEE-ZWKOTPCHSA-N 2 0 308.510 3.532 20 0 DHADRP C[NH+](C)Cc1ccccc1NC1=CCC[N@H+](Cc2ccccc2)C1 ZINC001174394021 1034319619 /nfs/dbraw/zinc/31/96/19/1034319619.db2.gz CVTULUJYWWXKDH-UHFFFAOYSA-N 2 0 321.468 3.950 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000480608284 1034339255 /nfs/dbraw/zinc/33/92/55/1034339255.db2.gz HADRKBPRRDIIEJ-APWZRJJASA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000480603512 1034345916 /nfs/dbraw/zinc/34/59/16/1034345916.db2.gz WDZSPNJZVWKSPL-PKOBYXMFSA-N 2 0 322.537 3.921 20 0 DHADRP COc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000480622527 1034357511 /nfs/dbraw/zinc/35/75/11/1034357511.db2.gz YWDSYRKYQCUDKY-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000554890542 1034392007 /nfs/dbraw/zinc/39/20/07/1034392007.db2.gz PSUIEFNBEHTRBG-JXFKEZNVSA-N 2 0 309.457 3.521 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)C)cc1 ZINC000480744934 1034433056 /nfs/dbraw/zinc/43/30/56/1034433056.db2.gz ZZJOHNOADJUYKU-AABGKKOBSA-N 2 0 300.490 3.779 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000480783297 1034445040 /nfs/dbraw/zinc/44/50/40/1034445040.db2.gz ZKMXRFDEYGUDQA-LBPRGKRZSA-N 2 0 319.276 3.612 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000184281635 1034458875 /nfs/dbraw/zinc/45/88/75/1034458875.db2.gz VWCPOPKEBYHDEC-BZSNNMDCSA-N 2 0 303.494 3.799 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000184281599 1034459438 /nfs/dbraw/zinc/45/94/38/1034459438.db2.gz VWCPOPKEBYHDEC-KSZLIROESA-N 2 0 303.494 3.799 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000481032215 1034554939 /nfs/dbraw/zinc/55/49/39/1034554939.db2.gz DLXWKUSJZXMUMO-KHYOSLBOSA-N 2 0 304.453 3.771 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000481036773 1034564967 /nfs/dbraw/zinc/56/49/67/1034564967.db2.gz LHGYBANKGQTITJ-UYAOXDASSA-N 2 0 300.490 3.638 20 0 DHADRP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccnc1 ZINC000186142355 1034604954 /nfs/dbraw/zinc/60/49/54/1034604954.db2.gz DAGLARQGTHEEMD-HKUYNNGSSA-N 2 0 303.494 3.880 20 0 DHADRP CCN(C)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001174822095 1034619253 /nfs/dbraw/zinc/61/92/53/1034619253.db2.gz PYMPBJKFIUWEJQ-UHFFFAOYSA-N 2 0 324.472 3.638 20 0 DHADRP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C(C)(C)C ZINC000865416533 1034635838 /nfs/dbraw/zinc/63/58/38/1034635838.db2.gz BNWIKRHKYBDKHY-IRXDYDNUSA-N 2 0 316.489 3.709 20 0 DHADRP CCc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000555364296 1034654146 /nfs/dbraw/zinc/65/41/46/1034654146.db2.gz GNULGKJCGOYDCU-IEBWSBKVSA-N 2 0 315.505 3.730 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCCCNc1ccccn1 ZINC000162867948 1034714272 /nfs/dbraw/zinc/71/42/72/1034714272.db2.gz GOGKHLVJURNRCH-INIZCTEOSA-N 2 0 313.445 3.942 20 0 DHADRP CC(C)C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCc2cccnc21 ZINC000481344623 1034767454 /nfs/dbraw/zinc/76/74/54/1034767454.db2.gz SRMKWHYMNMNELD-MOPGFXCFSA-N 2 0 315.505 3.901 20 0 DHADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192516873 1034806770 /nfs/dbraw/zinc/80/67/70/1034806770.db2.gz ZUKAANXMRCTONE-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001175352816 1034946831 /nfs/dbraw/zinc/94/68/31/1034946831.db2.gz RXYPLEHPMJXKCL-MOPGFXCFSA-N 2 0 322.537 3.778 20 0 DHADRP C[NH+](C)Cc1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001175505509 1035017493 /nfs/dbraw/zinc/01/74/93/1035017493.db2.gz GBLFOWMRXLQOPN-UHFFFAOYSA-N 2 0 321.468 3.950 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000482250621 1035073808 /nfs/dbraw/zinc/07/38/08/1035073808.db2.gz SLPGTFSUZNURFW-CHWSQXEVSA-N 2 0 315.288 3.998 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2OCC)CC1 ZINC000482518060 1035124580 /nfs/dbraw/zinc/12/45/80/1035124580.db2.gz HLBDCLJHANXYST-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001204169475 1035212366 /nfs/dbraw/zinc/21/23/66/1035212366.db2.gz RHNLGRXJJKDNSY-UHFFFAOYSA-N 2 0 309.457 3.836 20 0 DHADRP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1Cl ZINC000194590040 1035222391 /nfs/dbraw/zinc/22/23/91/1035222391.db2.gz JLQNIYQTKQGCGE-HNNXBMFYSA-N 2 0 317.864 3.837 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483472670 1035273864 /nfs/dbraw/zinc/27/38/64/1035273864.db2.gz BJYLXVWDVUAHBT-UKPHBRMFSA-N 2 0 324.415 3.765 20 0 DHADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C ZINC000483870251 1035306905 /nfs/dbraw/zinc/30/69/05/1035306905.db2.gz MSDPBDQZDXXKMH-NZSAHSFTSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000484172733 1035322813 /nfs/dbraw/zinc/32/28/13/1035322813.db2.gz WCISFUUMLWUGKK-HZPDHXFCSA-N 2 0 306.519 3.880 20 0 DHADRP Cc1cccc(C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C2CC2)c1 ZINC000484476210 1035344753 /nfs/dbraw/zinc/34/47/53/1035344753.db2.gz VAQMQPZKZHIQLW-UFYCRDLUSA-N 2 0 300.490 3.779 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC001177061729 1035346889 /nfs/dbraw/zinc/34/68/89/1035346889.db2.gz SQHFGEHPQUROFL-GOSISDBHSA-N 2 0 310.526 3.970 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C)nc(C)c1 ZINC001177127878 1035349127 /nfs/dbraw/zinc/34/91/27/1035349127.db2.gz UGBZCDDYLDECEK-UHFFFAOYSA-N 2 0 311.473 3.830 20 0 DHADRP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC001177127788 1035349684 /nfs/dbraw/zinc/34/96/84/1035349684.db2.gz NYLDDQLERUGFCX-WOJBJXKFSA-N 2 0 318.505 3.966 20 0 DHADRP c1csc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)cc2)c1 ZINC001177136629 1035352554 /nfs/dbraw/zinc/35/25/54/1035352554.db2.gz UNQPWLAGMRSAKT-UHFFFAOYSA-N 2 0 300.471 3.991 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC001206296903 1035357658 /nfs/dbraw/zinc/35/76/58/1035357658.db2.gz VHVDKHSIAJOAGG-OAHLLOKOSA-N 2 0 301.261 3.944 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC001177231182 1035358424 /nfs/dbraw/zinc/35/84/24/1035358424.db2.gz DZYONBDPHNFNKH-UHFFFAOYSA-N 2 0 311.882 3.770 20 0 DHADRP COCc1c(C)cc(C)c(C[NH2+]CCC[N@H+](C)C(C)C)c1C ZINC001177231261 1035358887 /nfs/dbraw/zinc/35/88/87/1035358887.db2.gz IBZMWYMIRXZGMU-UHFFFAOYSA-N 2 0 306.494 3.578 20 0 DHADRP C[C@H]1Cc2cc(C[NH2+]CCCC[N@@H+]3CCCC[C@H]3C)ccc2O1 ZINC001177299078 1035361482 /nfs/dbraw/zinc/36/14/82/1035361482.db2.gz JZNCQSVGEAWTRU-SJORKVTESA-N 2 0 316.489 3.754 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC001177262251 1035361761 /nfs/dbraw/zinc/36/17/61/1035361761.db2.gz RLFFDIPQAUZAFT-MBOZVWFJSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC1 ZINC001177337917 1035364931 /nfs/dbraw/zinc/36/49/31/1035364931.db2.gz OHWVGNWGHGGLPZ-UHFFFAOYSA-N 2 0 322.537 3.967 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC001177737039 1035390492 /nfs/dbraw/zinc/39/04/92/1035390492.db2.gz HYLXRHDSRZPMLA-UHFFFAOYSA-N 2 0 316.823 3.830 20 0 DHADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001177840636 1035395203 /nfs/dbraw/zinc/39/52/03/1035395203.db2.gz VCSDUJIPWUQAPP-XLIONFOSSA-N 2 0 320.521 3.531 20 0 DHADRP CC(C)CC(C)(C)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001177956758 1035403126 /nfs/dbraw/zinc/40/31/26/1035403126.db2.gz WDZWVUGXGPITOO-UHFFFAOYSA-N 2 0 306.494 3.789 20 0 DHADRP CCC[C@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000904366252 1035408139 /nfs/dbraw/zinc/40/81/39/1035408139.db2.gz GZSLBGVIHRBJTI-KWCHVYNWSA-N 2 0 300.368 3.874 20 0 DHADRP Cc1c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cccc1C(F)(F)F ZINC001206317778 1035412310 /nfs/dbraw/zinc/41/23/10/1035412310.db2.gz IOOILVCGGXSELL-MRXNPFEDSA-N 2 0 314.395 3.965 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000195138116 1035416201 /nfs/dbraw/zinc/41/62/01/1035416201.db2.gz DNMPEGNOXTWWNG-FUHWJXTLSA-N 2 0 312.432 3.998 20 0 DHADRP Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904476974 1035418296 /nfs/dbraw/zinc/41/82/96/1035418296.db2.gz VQRGDWKUFKIRBJ-TZIWHRDSSA-N 2 0 322.452 3.649 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)C(C)(C)O ZINC001178717346 1035445099 /nfs/dbraw/zinc/44/50/99/1035445099.db2.gz RUYSNDRPNMAHNE-UHFFFAOYSA-N 2 0 320.521 3.531 20 0 DHADRP CC(C)C[C@@H](CN1CCCC1)[NH2+]C/C=C/c1ccc(F)cc1 ZINC001178774625 1035449096 /nfs/dbraw/zinc/44/90/96/1035449096.db2.gz JWTSMULYDBGTKF-UEKDZROGSA-N 2 0 304.453 3.939 20 0 DHADRP CC(C)(O)c1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC000904772037 1035454514 /nfs/dbraw/zinc/45/45/14/1035454514.db2.gz XQSOVYIHLYLLIJ-UHFFFAOYSA-N 2 0 324.468 3.504 20 0 DHADRP C(CC1CCCCCC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668440946 1035482832 /nfs/dbraw/zinc/48/28/32/1035482832.db2.gz SBUGIWVIAHSIDZ-UHFFFAOYSA-N 2 0 322.537 3.828 20 0 DHADRP CC[C@@H]1CCC[C@H](C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001179636388 1035489006 /nfs/dbraw/zinc/48/90/06/1035489006.db2.gz DTWPQFDLMWOLDJ-ZIFCJYIRSA-N 2 0 303.494 3.880 20 0 DHADRP Cn1ccnc1C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256758 1035504195 /nfs/dbraw/zinc/50/41/95/1035504195.db2.gz YMYPSBKSTWXHTR-INIZCTEOSA-N 2 0 317.864 3.571 20 0 DHADRP Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cccc1C(F)(F)F ZINC001205628233 1035620028 /nfs/dbraw/zinc/62/00/28/1035620028.db2.gz UCWFJHJTGVIYJG-TZMCWYRMSA-N 2 0 314.395 3.821 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1(CC)CC ZINC000539497111 1035754477 /nfs/dbraw/zinc/75/44/77/1035754477.db2.gz QHIKCCSZRYDPFI-KZNAEPCWSA-N 2 0 310.526 3.680 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000494642934 1035757648 /nfs/dbraw/zinc/75/76/48/1035757648.db2.gz LMBSUFLUIHBRLX-BJLQDIEVSA-N 2 0 318.505 3.720 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(F)cc2C)CC1 ZINC001180821195 1035763574 /nfs/dbraw/zinc/76/35/74/1035763574.db2.gz XDDJBAZFQHXYOG-UHFFFAOYSA-N 2 0 321.484 3.863 20 0 DHADRP CC(C)C[C@@H]1CCCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192745322 1035816849 /nfs/dbraw/zinc/81/68/49/1035816849.db2.gz TXAIAOOKDPYVKA-FQEVSTJZSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000192931585 1035826741 /nfs/dbraw/zinc/82/67/41/1035826741.db2.gz GJNICOHQCUYQSQ-FUHWJXTLSA-N 2 0 318.530 3.630 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000753613121 1035832343 /nfs/dbraw/zinc/83/23/43/1035832343.db2.gz VOBQPLDMYVPFOJ-INIZCTEOSA-N 2 0 304.478 3.837 20 0 DHADRP Cc1cccc(N2CCC([NH2+]Cc3cc(Cl)cs3)CC2)n1 ZINC000193111126 1035836310 /nfs/dbraw/zinc/83/63/10/1035836310.db2.gz BMKGOUJLNNVIGN-UHFFFAOYSA-N 2 0 321.877 3.864 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC001194383303 1035915858 /nfs/dbraw/zinc/91/58/58/1035915858.db2.gz BFWXZGYZDVPBOL-SFHVURJKSA-N 2 0 310.526 3.637 20 0 DHADRP CC[N@H+](CCc1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC001181485762 1035930660 /nfs/dbraw/zinc/93/06/60/1035930660.db2.gz JILWQGONLPNQPB-UHFFFAOYSA-N 2 0 314.448 3.952 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001168469021 1035943182 /nfs/dbraw/zinc/94/31/82/1035943182.db2.gz RITVBSVKYYNTSS-HNNXBMFYSA-N 2 0 304.453 3.611 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC001194504646 1035950031 /nfs/dbraw/zinc/95/00/31/1035950031.db2.gz ASDQKESLVPSAAJ-OALUTQOASA-N 2 0 302.437 3.621 20 0 DHADRP [NH3+][C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC001205110147 1035963055 /nfs/dbraw/zinc/96/30/55/1035963055.db2.gz QBLZDEGGGZKRAV-AWEZNQCLSA-N 2 0 321.877 3.777 20 0 DHADRP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC001181674135 1035963803 /nfs/dbraw/zinc/96/38/03/1035963803.db2.gz OEHYAWYMZNCMRX-LPHOPBHVSA-N 2 0 316.489 3.810 20 0 DHADRP C[C@@H]([C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000540158367 1035982374 /nfs/dbraw/zinc/98/23/74/1035982374.db2.gz WVQVWCHEEQMOKF-FEHORTKBSA-N 2 0 322.537 3.559 20 0 DHADRP C[NH+]1CCC(C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC001203800241 1035990350 /nfs/dbraw/zinc/99/03/50/1035990350.db2.gz NOPQFPRLLMIMPL-UHFFFAOYSA-N 2 0 306.881 3.894 20 0 DHADRP CC(C)C[N@H+]([C@H](C)Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168472753 1036098400 /nfs/dbraw/zinc/09/84/00/1036098400.db2.gz DBADBOJDEUQERX-ATZDWAIDSA-N 2 0 306.469 3.985 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168472934 1036100168 /nfs/dbraw/zinc/10/01/68/1036100168.db2.gz AHHBEYYFVQQWQB-SNRMKQJTSA-N 2 0 306.469 3.999 20 0 DHADRP CC(C[NH+]1CCC(C(F)F)CC1)C[NH+]1CCC(C(F)F)CC1 ZINC000486123955 1036136635 /nfs/dbraw/zinc/13/66/35/1036136635.db2.gz SMOKVBFLBLUXEG-UHFFFAOYSA-N 2 0 324.406 3.577 20 0 DHADRP C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540961865 1036200945 /nfs/dbraw/zinc/20/09/45/1036200945.db2.gz KBRILPNFAUMUMU-JXFKEZNVSA-N 2 0 312.501 3.923 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000495057418 1036208182 /nfs/dbraw/zinc/20/81/82/1036208182.db2.gz GJLDUBFRWMPGIK-RXYDEIHYSA-N 2 0 300.490 3.777 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000540988355 1036210925 /nfs/dbraw/zinc/21/09/25/1036210925.db2.gz IVODFENKLDEZCZ-QGZVFWFLSA-N 2 0 310.432 3.983 20 0 DHADRP C(CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CCCCC1 ZINC000464076807 1036267487 /nfs/dbraw/zinc/26/74/87/1036267487.db2.gz PTZJQCKJHIPMLJ-XUVXKRRUSA-N 2 0 322.537 3.828 20 0 DHADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC[C@@H](C)CCC=C(C)C)CC1 ZINC001182424474 1036275065 /nfs/dbraw/zinc/27/50/65/1036275065.db2.gz UMUKIJPODGORLW-IBGZPJMESA-N 2 0 323.569 3.765 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC2CCCCC2)cc1 ZINC000613259864 1036353322 /nfs/dbraw/zinc/35/33/22/1036353322.db2.gz NQVQSZVEOGJDDR-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486700366 1036367475 /nfs/dbraw/zinc/36/74/75/1036367475.db2.gz LRZBCXIZOSFPIH-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP C[C@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000541589437 1036378638 /nfs/dbraw/zinc/37/86/38/1036378638.db2.gz UCLWYDLVQCNNFW-IBGZPJMESA-N 2 0 302.506 3.967 20 0 DHADRP C[C@H]([NH2+]CCOC1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601702 1036387116 /nfs/dbraw/zinc/38/71/16/1036387116.db2.gz NBIFVNRUUXCIPN-ZWKOTPCHSA-N 2 0 322.537 3.968 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000486949197 1036473718 /nfs/dbraw/zinc/47/37/18/1036473718.db2.gz HMGZJVVNQWEJES-INIZCTEOSA-N 2 0 322.468 3.969 20 0 DHADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001183065461 1036516887 /nfs/dbraw/zinc/51/68/87/1036516887.db2.gz LOQNMYLOSUOGHU-QAPCUYQASA-N 2 0 308.897 3.935 20 0 DHADRP C[C@]1([NH3+])CCC[N@H+](CCc2ccc(Cl)cc2Cl)CC1 ZINC001205254972 1036520485 /nfs/dbraw/zinc/52/04/85/1036520485.db2.gz CZEDWXXITNXIMO-HNNXBMFYSA-N 2 0 301.261 3.739 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000659853139 1036628053 /nfs/dbraw/zinc/62/80/53/1036628053.db2.gz RWWWQMJBACJRFV-UHFFFAOYSA-N 2 0 317.502 3.503 20 0 DHADRP CCOc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000487276736 1036634595 /nfs/dbraw/zinc/63/45/95/1036634595.db2.gz JQRWQLZGJCDOLV-QGZVFWFLSA-N 2 0 310.457 3.680 20 0 DHADRP Clc1ccc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372663 1036639601 /nfs/dbraw/zinc/63/96/01/1036639601.db2.gz ZUEDLCSYYBNZIP-ZWKOTPCHSA-N 2 0 304.865 3.660 20 0 DHADRP C[C@H](CC[NH2+]C/C=C\c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000487309109 1036649851 /nfs/dbraw/zinc/64/98/51/1036649851.db2.gz NFELPCMJDHQTMH-OTIVFRFGSA-N 2 0 309.457 3.595 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCCOC(C)(C)C)CC1 ZINC001196936506 1036653226 /nfs/dbraw/zinc/65/32/26/1036653226.db2.gz TUHOBCDQGLZMDO-SFHVURJKSA-N 2 0 310.526 3.778 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc2ccccc2c1 ZINC001197284384 1036737909 /nfs/dbraw/zinc/73/79/09/1036737909.db2.gz IIOWMMAPBZJLLS-UHFFFAOYSA-N 2 0 311.473 3.933 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCCC(C)(C)O2)CC1 ZINC001184178111 1036751577 /nfs/dbraw/zinc/75/15/77/1036751577.db2.gz NHLBGTYUDKHIHB-BHIYHBOVSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCC(C)(C)O2)CC1 ZINC001184178113 1036751705 /nfs/dbraw/zinc/75/17/05/1036751705.db2.gz NHLBGTYUDKHIHB-NEWSRXKRSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@H]1C[N@H+](CCCC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001197378417 1036768753 /nfs/dbraw/zinc/76/87/53/1036768753.db2.gz ZBOMZBZXISEARV-KRWDZBQOSA-N 2 0 301.478 3.953 20 0 DHADRP C[C@H]1CN(Cc2ccc(Cl)cc2F)CCN1c1cc[nH+]cc1 ZINC001197377037 1036771499 /nfs/dbraw/zinc/77/14/99/1036771499.db2.gz JDUJPJVGMVSROY-ZDUSSCGKSA-N 2 0 319.811 3.585 20 0 DHADRP C[C@H](CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000668819661 1036830257 /nfs/dbraw/zinc/83/02/57/1036830257.db2.gz POBKJFITWIXMBQ-IEBWSBKVSA-N 2 0 300.490 3.892 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc(C)c1OC(C)C ZINC001205297019 1036838769 /nfs/dbraw/zinc/83/87/69/1036838769.db2.gz WYQVLLIADYESND-LJQANCHMSA-N 2 0 304.478 3.794 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312611203 1036922257 /nfs/dbraw/zinc/92/22/57/1036922257.db2.gz ISBCCIQOVZJLQP-UHFFFAOYSA-N 2 0 307.290 3.876 20 0 DHADRP CCC[NH+]1CCC(NCc2ccc(-c3cccnc3)cc2)CC1 ZINC000153389423 1036975839 /nfs/dbraw/zinc/97/58/39/1036975839.db2.gz VKUUDGGEUQJAPP-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000236840157 1036983205 /nfs/dbraw/zinc/98/32/05/1036983205.db2.gz BHIPOXLYGKIUPJ-FQEVSTJZSA-N 2 0 317.521 3.532 20 0 DHADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000236888921 1036984734 /nfs/dbraw/zinc/98/47/34/1036984734.db2.gz BHIPOXLYGKIUPJ-HXUWFJFHSA-N 2 0 317.521 3.532 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)cc1 ZINC000488447878 1037029145 /nfs/dbraw/zinc/02/91/45/1037029145.db2.gz XYEJXINJHMSKQQ-SJORKVTESA-N 2 0 306.519 3.758 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)ccc1F ZINC000488471301 1037040645 /nfs/dbraw/zinc/04/06/45/1037040645.db2.gz VXTHJJHOZIVQBJ-RDJZCZTQSA-N 2 0 324.509 3.897 20 0 DHADRP Cl/C=C\C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762925216 1037071197 /nfs/dbraw/zinc/07/11/97/1037071197.db2.gz FCBMOIHQYNQMRS-WMZJFQQLSA-N 2 0 304.865 3.727 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC000488588811 1037086073 /nfs/dbraw/zinc/08/60/73/1037086073.db2.gz WCDNUVJJHFFCDB-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629555787 1037136190 /nfs/dbraw/zinc/13/61/90/1037136190.db2.gz DZBCSGFLGWWVSI-HZPDHXFCSA-N 2 0 305.853 3.613 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](OC)CC1)[NH+]1CCCC1 ZINC001199144011 1037203736 /nfs/dbraw/zinc/20/37/36/1037203736.db2.gz MEGUVMLOVKXSEL-QYZOEREBSA-N 2 0 310.526 3.824 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000322373402 1037203618 /nfs/dbraw/zinc/20/36/18/1037203618.db2.gz LGKGARLCIIVRPW-HZPDHXFCSA-N 2 0 304.437 3.973 20 0 DHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC001199171101 1037211175 /nfs/dbraw/zinc/21/11/75/1037211175.db2.gz UZZMIQXXCHVMJU-ZWKOTPCHSA-N 2 0 323.569 3.597 20 0 DHADRP Cc1ccc2cc(C[NH2+]C[C@@H](C)C[NH+]3CCCCC3)ccc2n1 ZINC000322642996 1037230047 /nfs/dbraw/zinc/23/00/47/1037230047.db2.gz IWHUUANTWUTBJE-MRXNPFEDSA-N 2 0 311.473 3.755 20 0 DHADRP COCc1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001199336009 1037247831 /nfs/dbraw/zinc/24/78/31/1037247831.db2.gz GESXHGJYHBEFDT-KRWDZBQOSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)C[NH+]1CCCCC1 ZINC001199580947 1037285779 /nfs/dbraw/zinc/28/57/79/1037285779.db2.gz DNEYNKAPCZAXDF-YLJYHZDGSA-N 2 0 300.490 3.646 20 0 DHADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(Br)cc1F ZINC000843343201 1037288542 /nfs/dbraw/zinc/28/85/42/1037288542.db2.gz WUXYQNDSMNMUEF-LLVKDONJSA-N 2 0 317.246 3.758 20 0 DHADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001199699866 1037323245 /nfs/dbraw/zinc/32/32/45/1037323245.db2.gz ABRCLXLQONUPAN-XJKSGUPXSA-N 2 0 301.409 3.926 20 0 DHADRP c1cc(C[NH2+]C[C@H]2CCC=CO2)cc(C[NH+]2CCCCCC2)c1 ZINC000774987925 1037340100 /nfs/dbraw/zinc/34/01/00/1037340100.db2.gz DKUHAIWMIYEHMM-HXUWFJFHSA-N 2 0 314.473 3.845 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000105459157 1037408985 /nfs/dbraw/zinc/40/89/85/1037408985.db2.gz QEYXRVJXSXCHED-UHFFFAOYSA-N 2 0 324.468 3.697 20 0 DHADRP CCO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001200873134 1037452555 /nfs/dbraw/zinc/45/25/55/1037452555.db2.gz YZQNCTXHNJKTET-OALUTQOASA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000489576240 1037483396 /nfs/dbraw/zinc/48/33/96/1037483396.db2.gz YWPOYRVCZHUYGZ-LLVKDONJSA-N 2 0 317.246 3.581 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000397999099 1037577152 /nfs/dbraw/zinc/57/71/52/1037577152.db2.gz DHMRIXGQCBFADQ-UZLBHIALSA-N 2 0 312.432 3.826 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493881483 1037578081 /nfs/dbraw/zinc/57/80/81/1037578081.db2.gz DOQQJLRISMHYDM-HKUYNNGSSA-N 2 0 316.489 3.624 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000493925452 1037597044 /nfs/dbraw/zinc/59/70/44/1037597044.db2.gz LITGCZKSRPYZLW-IEBWSBKVSA-N 2 0 306.494 3.861 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000490178271 1037629744 /nfs/dbraw/zinc/62/97/44/1037629744.db2.gz KWQWNUOUQVDGOD-NVXWUHKLSA-N 2 0 307.457 3.916 20 0 DHADRP CC(C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001201470759 1037734302 /nfs/dbraw/zinc/73/43/02/1037734302.db2.gz LQBUAZKBVIBGCN-CGTJXYLNSA-N 2 0 306.519 3.936 20 0 DHADRP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001201556869 1037740378 /nfs/dbraw/zinc/74/03/78/1037740378.db2.gz BRLFZUFIXLOVGN-QGZVFWFLSA-N 2 0 306.519 3.866 20 0 DHADRP CCC[C@@H](C)C[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001201553950 1037759241 /nfs/dbraw/zinc/75/92/41/1037759241.db2.gz QRVFNLUOLGGQGO-LJQANCHMSA-N 2 0 311.558 3.552 20 0 DHADRP CSCCC[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001201680334 1037830746 /nfs/dbraw/zinc/83/07/46/1037830746.db2.gz FLMYBPFFPXBQHY-UHFFFAOYSA-N 2 0 324.559 3.789 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000037644170 1037837889 /nfs/dbraw/zinc/83/78/89/1037837889.db2.gz XWGIBMOGXBUECZ-RYUDHWBXSA-N 2 0 301.261 3.986 20 0 DHADRP c1ccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201663873 1037838548 /nfs/dbraw/zinc/83/85/48/1037838548.db2.gz NBDCOHMCFXJOES-FGZHOGPDSA-N 2 0 320.480 3.683 20 0 DHADRP Cc1cc(Cl)ccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201659007 1037838896 /nfs/dbraw/zinc/83/88/96/1037838896.db2.gz OPBOOAYBRBGRGN-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000186110336 1037871298 /nfs/dbraw/zinc/87/12/98/1037871298.db2.gz ULDCZQNGQLSUIC-GJZGRUSLSA-N 2 0 310.507 3.919 20 0 DHADRP CCCCOCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491031123 1037889029 /nfs/dbraw/zinc/88/90/29/1037889029.db2.gz YBBVVFDUQZGMCF-UHFFFAOYSA-N 2 0 318.505 3.647 20 0 DHADRP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186316126 1037891697 /nfs/dbraw/zinc/89/16/97/1037891697.db2.gz ZZCSFZQCWSHZIG-PXNSSMCTSA-N 2 0 300.490 3.719 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000124997416 1037916132 /nfs/dbraw/zinc/91/61/32/1037916132.db2.gz BVCPENLYFAGSFU-UHFFFAOYSA-N 2 0 316.445 3.653 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCOC1 ZINC000125062204 1037922533 /nfs/dbraw/zinc/92/25/33/1037922533.db2.gz HMSATTPHVTVCCH-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000125438931 1037937989 /nfs/dbraw/zinc/93/79/89/1037937989.db2.gz BQTYQFRJKGOKAQ-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001205101718 1037955517 /nfs/dbraw/zinc/95/55/17/1037955517.db2.gz JUNMBKVDISUHNG-LBPRGKRZSA-N 2 0 304.381 3.612 20 0 DHADRP C[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)C ZINC001202017624 1037969458 /nfs/dbraw/zinc/96/94/58/1037969458.db2.gz GFRBKBSJHVELON-HNNXBMFYSA-N 2 0 300.450 3.819 20 0 DHADRP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC23CCCC3)n1 ZINC000189058376 1038047027 /nfs/dbraw/zinc/04/70/27/1038047027.db2.gz DAZFSEDDBHSXCB-SFHVURJKSA-N 2 0 309.457 3.786 20 0 DHADRP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](CC2CCCC2)CC3)c1 ZINC001202167790 1038081673 /nfs/dbraw/zinc/08/16/73/1038081673.db2.gz VEHUGEMQFKZYGU-UHFFFAOYSA-N 2 0 313.489 3.560 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1C[NH+]1CCCCC1 ZINC000775383733 1038310249 /nfs/dbraw/zinc/31/02/49/1038310249.db2.gz PGZPQEAWIPFLRD-SOLBZPMBSA-N 2 0 316.489 3.988 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000572205353 1038351085 /nfs/dbraw/zinc/35/10/85/1038351085.db2.gz FDZUUCJCROIIRQ-IXDOHACOSA-N 2 0 304.478 3.507 20 0 DHADRP c1ccc2c(c1)CC(C[NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000572212218 1038351694 /nfs/dbraw/zinc/35/16/94/1038351694.db2.gz ZLEAAIDKWHOZHM-UHFFFAOYSA-N 2 0 312.501 3.788 20 0 DHADRP C[C@@H]1SCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC001191022162 1038421924 /nfs/dbraw/zinc/42/19/24/1038421924.db2.gz PWSPZKKPZHUYHS-IRXDYDNUSA-N 2 0 318.530 3.998 20 0 DHADRP CO[C@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C1CCC1 ZINC001191550849 1038519827 /nfs/dbraw/zinc/51/98/27/1038519827.db2.gz NKFAWOQOGRIEOK-FXAWDEMLSA-N 2 0 322.537 3.778 20 0 DHADRP C[C@H]1CC[N@H+](CCc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205602054 1038670964 /nfs/dbraw/zinc/67/09/64/1038670964.db2.gz HROVHFXMNIYARQ-ZFWWWQNUSA-N 2 0 314.395 3.555 20 0 DHADRP CCc1cccc(OCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590786769 1038706690 /nfs/dbraw/zinc/70/66/90/1038706690.db2.gz LXUWYOSZWVFMCV-UHFFFAOYSA-N 2 0 318.505 3.680 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000573036779 1038736945 /nfs/dbraw/zinc/73/69/45/1038736945.db2.gz XOZPLFYGXIOENM-LIRRHRJNSA-N 2 0 304.453 3.771 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](CCc3ccc(F)cc3Cl)C2)CC1 ZINC000573472267 1038975168 /nfs/dbraw/zinc/97/51/68/1038975168.db2.gz PIMYFYZDOQZKSN-INIZCTEOSA-N 2 0 324.871 3.685 20 0 DHADRP CCCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCc2ncsc2C1 ZINC000646130481 1039004684 /nfs/dbraw/zinc/00/46/84/1039004684.db2.gz VENVGPDHSVRUEV-CVEARBPZSA-N 2 0 321.534 3.587 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000573732828 1039064601 /nfs/dbraw/zinc/06/46/01/1039064601.db2.gz FDOKZJJSUYXXKC-WSTZPKSXSA-N 2 0 323.569 3.740 20 0 DHADRP C[NH+](C)[C@H](CNc1cc[nH+]c2ccccc12)c1ccc(F)cc1 ZINC000599532827 1039199422 /nfs/dbraw/zinc/19/94/22/1039199422.db2.gz XDXZLJWCQRXDNO-LJQANCHMSA-N 2 0 309.388 3.511 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000595100608 1040063693 /nfs/dbraw/zinc/06/36/93/1040063693.db2.gz SOULILAZSYYDAE-RDJZCZTQSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCCCCCO)C1 ZINC000173748853 1040401625 /nfs/dbraw/zinc/40/16/25/1040401625.db2.gz QVXCFTGGBVMPBH-RBUKOAKNSA-N 2 0 310.526 3.516 20 0 DHADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000596639271 1040533899 /nfs/dbraw/zinc/53/38/99/1040533899.db2.gz TYNJVDNVAQSRJD-HOTGVXAUSA-N 2 0 306.469 3.982 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272671647 130050812 /nfs/dbraw/zinc/05/08/12/130050812.db2.gz KRCQBGFOZWKVMM-YESZJQIVSA-N 2 0 301.478 3.694 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)c1 ZINC000340195273 131133463 /nfs/dbraw/zinc/13/34/63/131133463.db2.gz DFTZUEXMXUGHBQ-APWZRJJASA-N 2 0 304.478 3.574 20 0 DHADRP Cc1ccnc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000285853113 131206566 /nfs/dbraw/zinc/20/65/66/131206566.db2.gz XYJRYRZEUJZFNA-KURKYZTESA-N 2 0 303.494 3.799 20 0 DHADRP COCCCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286111624 131220189 /nfs/dbraw/zinc/22/01/89/131220189.db2.gz NQOYGWQHAIXNNX-UHFFFAOYSA-N 2 0 318.505 3.836 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)CCN1Cc1ccccc1 ZINC000286999149 131259521 /nfs/dbraw/zinc/25/95/21/131259521.db2.gz JZDYNFJDMNGFKG-QRQLOZEOSA-N 2 0 318.530 3.772 20 0 DHADRP Cc1ccncc1CCC[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000289208399 131366225 /nfs/dbraw/zinc/36/62/25/131366225.db2.gz IJTUFHWJVDHBOI-GOSISDBHSA-N 2 0 303.494 3.567 20 0 DHADRP Cc1ccncc1CCC[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000289372209 131379907 /nfs/dbraw/zinc/37/99/07/131379907.db2.gz ZVSLLSHWCHFEJG-UHFFFAOYSA-N 2 0 323.484 3.708 20 0 DHADRP CCc1ncc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000289406934 131384199 /nfs/dbraw/zinc/38/41/99/131384199.db2.gz HFYKOHPLEHXSJY-UHFFFAOYSA-N 2 0 317.502 3.789 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289557742 131396337 /nfs/dbraw/zinc/39/63/37/131396337.db2.gz IVMXQZBCXIRMEG-QXGIVVGOSA-N 2 0 304.453 3.704 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1F ZINC000340471206 131846962 /nfs/dbraw/zinc/84/69/62/131846962.db2.gz SYIJRHYKDWZXQK-BZUAXINKSA-N 2 0 307.457 3.629 20 0 DHADRP C=Cc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297444205 132015433 /nfs/dbraw/zinc/01/54/33/132015433.db2.gz OLRFCNDZPUMPDH-UHFFFAOYSA-N 2 0 307.441 3.526 20 0 DHADRP CCC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000297439987 132015454 /nfs/dbraw/zinc/01/54/54/132015454.db2.gz WBIKTHMBVOWCGU-YRPNKDGESA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)c1ccccc1 ZINC000297592161 132023862 /nfs/dbraw/zinc/02/38/62/132023862.db2.gz JGYZOUUOHSUWGD-SJORKVTESA-N 2 0 309.457 3.832 20 0 DHADRP Cn1cncc1CC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000297766894 132033443 /nfs/dbraw/zinc/03/34/43/132033443.db2.gz LZDMQKOPDPCANW-UHFFFAOYSA-N 2 0 315.436 3.589 20 0 DHADRP Fc1cccc(Cl)c1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298267236 132053965 /nfs/dbraw/zinc/05/39/65/132053965.db2.gz GDEIVIJDFHINHV-UHFFFAOYSA-N 2 0 319.811 3.633 20 0 DHADRP C[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298330517 132056675 /nfs/dbraw/zinc/05/66/75/132056675.db2.gz ITCRHRARIYOUFP-QGZVFWFLSA-N 2 0 309.457 3.834 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000163952222 132127232 /nfs/dbraw/zinc/12/72/32/132127232.db2.gz MBJXBQRDOHGCJX-KRWDZBQOSA-N 2 0 316.489 3.577 20 0 DHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000353625911 132134043 /nfs/dbraw/zinc/13/40/43/132134043.db2.gz HNHCHHMOQBJPRW-KRWDZBQOSA-N 2 0 322.518 3.563 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000180459746 331569911 /nfs/dbraw/zinc/56/99/11/331569911.db2.gz XBDXBDMUIDRVEK-SFHVURJKSA-N 2 0 306.519 3.735 20 0 DHADRP CC(C)C(C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000556415058 331701862 /nfs/dbraw/zinc/70/18/62/331701862.db2.gz MITPTROSVFQKMQ-UHFFFAOYSA-N 2 0 303.494 3.816 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000518266332 332002986 /nfs/dbraw/zinc/00/29/86/332002986.db2.gz ZWAODZFRBPJCRM-QZTJIDSGSA-N 2 0 318.505 3.933 20 0 DHADRP CC(C)[NH+]1CCC(N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000128947384 332015802 /nfs/dbraw/zinc/01/58/02/332015802.db2.gz NZGTYGCLTLCVJD-QGZVFWFLSA-N 2 0 302.462 3.751 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000518471841 332060631 /nfs/dbraw/zinc/06/06/31/332060631.db2.gz TWJVREGFKXIMKE-WOJBJXKFSA-N 2 0 300.490 3.818 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162596042 332942058 /nfs/dbraw/zinc/94/20/58/332942058.db2.gz UATGWXIEJPKACX-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP CC(C)c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc(C(C)C)n1 ZINC000536389619 332237367 /nfs/dbraw/zinc/23/73/67/332237367.db2.gz BHAVYPRFEKFWLD-MRXNPFEDSA-N 2 0 316.493 3.788 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000125438685 332285522 /nfs/dbraw/zinc/28/55/22/332285522.db2.gz BQTYQFRJKGOKAQ-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP COc1cccc(CCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000525624637 332313888 /nfs/dbraw/zinc/31/38/88/332313888.db2.gz JIYIWMKRYYVFAG-UHFFFAOYSA-N 2 0 318.505 3.680 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000560237247 332321288 /nfs/dbraw/zinc/32/12/88/332321288.db2.gz AEEHZWCVTGILNX-NRFANRHFSA-N 2 0 312.501 3.780 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000560249288 332323137 /nfs/dbraw/zinc/32/31/37/332323137.db2.gz HOJOIAVZLYHOAS-FQEVSTJZSA-N 2 0 300.490 3.780 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[NH+]1CCCCC1 ZINC000560521335 332349903 /nfs/dbraw/zinc/34/99/03/332349903.db2.gz FHLQBZCBSAMZFA-OAHLLOKOSA-N 2 0 310.432 3.752 20 0 DHADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000560522042 332350554 /nfs/dbraw/zinc/35/05/54/332350554.db2.gz RDWNPBQLEYWDRH-AQNXPRMDSA-N 2 0 316.489 3.574 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)[C@H]2CCC[C@H]21 ZINC000560542732 332355717 /nfs/dbraw/zinc/35/57/17/332355717.db2.gz GEPUMOKWPLLYJU-HLAWJBBLSA-N 2 0 321.468 3.711 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1ccccc1C ZINC000560544549 332356307 /nfs/dbraw/zinc/35/63/07/332356307.db2.gz QCOSUAVNYVVGAP-FCGDIQPGSA-N 2 0 316.489 3.615 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000569918718 332691940 /nfs/dbraw/zinc/69/19/40/332691940.db2.gz MJGXXCZMFAXTCH-HXUWFJFHSA-N 2 0 312.457 3.568 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000110644704 333039753 /nfs/dbraw/zinc/03/97/53/333039753.db2.gz WREKELNMOBRGPB-NSHDSACASA-N 2 0 318.408 3.858 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000314531903 333139607 /nfs/dbraw/zinc/13/96/07/333139607.db2.gz BPQVUOZGAVFVPY-AWEZNQCLSA-N 2 0 314.395 3.917 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000310004851 333215383 /nfs/dbraw/zinc/21/53/83/333215383.db2.gz HAIJFENGNIPMIR-QGZVFWFLSA-N 2 0 312.457 3.873 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C[C@@H](c2ccccc2)C1 ZINC000319155629 333266756 /nfs/dbraw/zinc/26/67/56/333266756.db2.gz AHRREFBZDOFFHK-ZULIPRJHSA-N 2 0 300.490 3.890 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000497824462 333297726 /nfs/dbraw/zinc/29/77/26/333297726.db2.gz ZTJXSROTUVBFBZ-SFHVURJKSA-N 2 0 307.457 3.629 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCOC)[NH+]1CCCC1 ZINC000502686644 333304462 /nfs/dbraw/zinc/30/44/62/333304462.db2.gz KOWKUZFIGQLCMT-QYZOEREBSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000323466797 333338421 /nfs/dbraw/zinc/33/84/21/333338421.db2.gz WHEWFHGRFXJSQJ-KRWDZBQOSA-N 2 0 312.457 3.582 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000583456141 333357396 /nfs/dbraw/zinc/35/73/96/333357396.db2.gz UUZWQJSDSHNANY-CWFSZBLJSA-N 2 0 316.489 3.509 20 0 DHADRP CCc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000583470208 333360496 /nfs/dbraw/zinc/36/04/96/333360496.db2.gz AVJQNVGUSJMJCL-OAHLLOKOSA-N 2 0 306.519 3.727 20 0 DHADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1ccccc1Br ZINC000221912548 333377671 /nfs/dbraw/zinc/37/76/71/333377671.db2.gz VHIQALNJFSOSKN-ZDUSSCGKSA-N 2 0 313.283 3.830 20 0 DHADRP FC(F)(F)c1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000521436485 333384758 /nfs/dbraw/zinc/38/47/58/333384758.db2.gz YOMAFRMNULPFSG-OAHLLOKOSA-N 2 0 312.379 3.527 20 0 DHADRP C[C@@H]1CC[C@H](C)[N@H+]1Cc1cncc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000565344697 333390827 /nfs/dbraw/zinc/39/08/27/333390827.db2.gz JDDQFKXOSXBLLX-LUKYLMHMSA-N 2 0 301.478 3.827 20 0 DHADRP C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390810408 333394877 /nfs/dbraw/zinc/39/48/77/333394877.db2.gz SPQQBOAPAGHYGM-NQIIRXRSSA-N 2 0 308.469 3.729 20 0 DHADRP COC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)C1CCCC1 ZINC000446929767 333462045 /nfs/dbraw/zinc/46/20/45/333462045.db2.gz SDSNSEGRKOZLOK-IBGZPJMESA-N 2 0 310.526 3.539 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000154012017 333636337 /nfs/dbraw/zinc/63/63/37/333636337.db2.gz ZPMBQXQHBJQEFY-AWEZNQCLSA-N 2 0 308.441 3.607 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000571088578 333658552 /nfs/dbraw/zinc/65/85/52/333658552.db2.gz WCGNFJDOCLAVDW-MRXNPFEDSA-N 2 0 302.418 3.611 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000571275562 333695908 /nfs/dbraw/zinc/69/59/08/333695908.db2.gz JXWLEERWFXGMOU-OAHLLOKOSA-N 2 0 315.486 3.777 20 0 DHADRP C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411716819 333703559 /nfs/dbraw/zinc/70/35/59/333703559.db2.gz HHBCOGGIAYQKQH-MAUKXSAKSA-N 2 0 304.503 3.514 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC000412029670 333721892 /nfs/dbraw/zinc/72/18/92/333721892.db2.gz YPRURHVAXXVDSN-KRWDZBQOSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]([NH2+]CCCc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272527434 334036534 /nfs/dbraw/zinc/03/65/34/334036534.db2.gz AAUSUVFMEJMIGW-ICSRJNTNSA-N 2 0 323.484 3.514 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000414652572 334055357 /nfs/dbraw/zinc/05/53/57/334055357.db2.gz DLGVFDREYZPACF-BEFAXECRSA-N 2 0 310.441 3.531 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1CN1CCC[C@@H]([NH3+])C1 ZINC000414657949 334059812 /nfs/dbraw/zinc/05/98/12/334059812.db2.gz PLVANQNXRXTAIG-GOSISDBHSA-N 2 0 310.441 3.594 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1C(F)(F)F ZINC000414666949 334062251 /nfs/dbraw/zinc/06/22/51/334062251.db2.gz GWGGODVMQBDLEN-LBPRGKRZSA-N 2 0 300.368 3.573 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000414677614 334066952 /nfs/dbraw/zinc/06/69/52/334066952.db2.gz UWCIVZCVBRUFQT-INIZCTEOSA-N 2 0 324.468 3.921 20 0 DHADRP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)CC1CCCCCC1 ZINC000414721157 334073988 /nfs/dbraw/zinc/07/39/88/334073988.db2.gz AVIJJFREAZYNDD-KRWDZBQOSA-N 2 0 321.534 3.833 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(-c2cccnc2)c1 ZINC000343601038 335176024 /nfs/dbraw/zinc/17/60/24/335176024.db2.gz JTYJUDORGHZWTO-UHFFFAOYSA-N 2 0 309.457 3.666 20 0 DHADRP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414749481 334084524 /nfs/dbraw/zinc/08/45/24/334084524.db2.gz KDGXCLYFNXRIEJ-GFCCVEGCSA-N 2 0 320.786 3.933 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414777297 334092164 /nfs/dbraw/zinc/09/21/64/334092164.db2.gz HZEPQUYNELCWHA-NWDGAFQWSA-N 2 0 318.408 3.588 20 0 DHADRP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414781187 334093504 /nfs/dbraw/zinc/09/35/04/334093504.db2.gz MRKMJCWPXVEMCI-CABCVRRESA-N 2 0 312.379 3.527 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1OC(F)F ZINC000278400186 334095799 /nfs/dbraw/zinc/09/57/99/334095799.db2.gz GMRHKRPJVYTZSR-CYBMUJFWSA-N 2 0 324.415 3.813 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CCc2cccc(F)c2)cc1 ZINC000414804925 334103909 /nfs/dbraw/zinc/10/39/09/334103909.db2.gz FOKPJAZHJJMQJL-HUUCEWRRSA-N 2 0 300.421 3.956 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])s2)cc1 ZINC000414811403 334105859 /nfs/dbraw/zinc/10/58/59/334105859.db2.gz WCJQNIROBOBGMI-WBVHZDCISA-N 2 0 315.486 3.726 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000414816385 334106349 /nfs/dbraw/zinc/10/63/49/334106349.db2.gz PRVBDBOJYRLICV-HUUCEWRRSA-N 2 0 322.456 3.694 20 0 DHADRP C[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414820918 334108477 /nfs/dbraw/zinc/10/84/77/334108477.db2.gz KMCUDQQDXYZIRF-STQMWFEESA-N 2 0 315.288 3.904 20 0 DHADRP Fc1ccc(-c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)s2)cc1 ZINC000414834323 334111217 /nfs/dbraw/zinc/11/12/17/334111217.db2.gz QPQPRTYVPHASPY-CYBMUJFWSA-N 2 0 304.434 3.643 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414835246 334111376 /nfs/dbraw/zinc/11/13/76/334111376.db2.gz IDUHGBWRCURZKM-FHLIZLRMSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414837573 334111868 /nfs/dbraw/zinc/11/18/68/334111868.db2.gz KLHYSFRXQPQZEZ-HIFRSBDPSA-N 2 0 314.395 3.616 20 0 DHADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414840163 334112412 /nfs/dbraw/zinc/11/24/12/334112412.db2.gz XYUCCAKUDATMRD-ZFHLEULCSA-N 2 0 304.865 3.849 20 0 DHADRP CC(C)c1ccc([C@H]([NH3+])CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000414843246 334113163 /nfs/dbraw/zinc/11/31/63/334113163.db2.gz JQIIYDICWVPLFR-LJQANCHMSA-N 2 0 317.521 3.662 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414845333 334115357 /nfs/dbraw/zinc/11/53/57/334115357.db2.gz SIWNNQNKPBRQHH-UWWQBHOKSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414852653 334127101 /nfs/dbraw/zinc/12/71/01/334127101.db2.gz KFERXEZAGOBOIG-RYUDHWBXSA-N 2 0 301.261 3.514 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862184 334133106 /nfs/dbraw/zinc/13/31/06/334133106.db2.gz VCSWEQIYUPAHQD-LSDHHAIUSA-N 2 0 300.368 3.541 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1OC ZINC000286248151 334152344 /nfs/dbraw/zinc/15/23/44/334152344.db2.gz UGTFFVBSHUBCGV-ARFHVFGLSA-N 2 0 320.477 3.536 20 0 DHADRP CC1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC[NH2+]CC1 ZINC000414899674 334163311 /nfs/dbraw/zinc/16/33/11/334163311.db2.gz HIWOTLCTMCJUIF-UHFFFAOYSA-N 2 0 302.393 3.565 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000414901389 334164903 /nfs/dbraw/zinc/16/49/03/334164903.db2.gz FWRULBPXRNXJHT-OUNSHVDWSA-N 2 0 316.489 3.701 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414902690 334166662 /nfs/dbraw/zinc/16/66/62/334166662.db2.gz LGYMVAXDJVPRKY-GFCCVEGCSA-N 2 0 300.899 3.702 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415081494 334271896 /nfs/dbraw/zinc/27/18/96/334271896.db2.gz CFROTXOFUFPNDK-MPGHIAIKSA-N 2 0 302.462 3.583 20 0 DHADRP CC1([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC[NH2+]CC1 ZINC000414944436 334204078 /nfs/dbraw/zinc/20/40/78/334204078.db2.gz PSIBQVWKPROEEZ-UHFFFAOYSA-N 2 0 322.496 3.820 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414945825 334204962 /nfs/dbraw/zinc/20/49/62/334204962.db2.gz SFHWUYCYMUBFLR-BLLLJJGKSA-N 2 0 315.288 3.904 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000187468825 334208795 /nfs/dbraw/zinc/20/87/95/334208795.db2.gz YEBUHHQDCSPDPX-CWJKEVGVSA-N 2 0 312.501 3.913 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414959088 334211099 /nfs/dbraw/zinc/21/10/99/334211099.db2.gz PKILDNYSNXRMFL-CHWSQXEVSA-N 2 0 302.384 3.614 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414961129 334212516 /nfs/dbraw/zinc/21/25/16/334212516.db2.gz RKOHOOYLWNEQMX-WBMJQRKESA-N 2 0 304.434 3.642 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414961285 334212706 /nfs/dbraw/zinc/21/27/06/334212706.db2.gz YSETWARPLBBATL-YLJYHZDGSA-N 2 0 308.469 3.571 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)s2)cc1 ZINC000414964369 334213524 /nfs/dbraw/zinc/21/35/24/334213524.db2.gz VAJBEQALSZHKAX-PBHICJAKSA-N 2 0 300.471 3.811 20 0 DHADRP C[C@@H](C[NH2+]CC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415081990 334272924 /nfs/dbraw/zinc/27/29/24/334272924.db2.gz LNLYHTFMLUQNNE-NSHDSACASA-N 2 0 301.261 3.686 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414968222 334215149 /nfs/dbraw/zinc/21/51/49/334215149.db2.gz YEZHMGHEMIZFSS-WBMJQRKESA-N 2 0 304.434 3.642 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414968220 334215339 /nfs/dbraw/zinc/21/53/39/334215339.db2.gz YEZHMGHEMIZFSS-MLGOLLRUSA-N 2 0 304.434 3.642 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969168 334217886 /nfs/dbraw/zinc/21/78/86/334217886.db2.gz SISKHRAQMKWUSZ-OAHLLOKOSA-N 2 0 300.368 3.636 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000414970572 334218194 /nfs/dbraw/zinc/21/81/94/334218194.db2.gz VDIFPUCVQYQJJC-JXFKEZNVSA-N 2 0 309.457 3.502 20 0 DHADRP Cc1cnc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000295245199 334221111 /nfs/dbraw/zinc/22/11/11/334221111.db2.gz TUCVBYMASIYVHM-UHFFFAOYSA-N 2 0 321.515 3.515 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414992648 334231550 /nfs/dbraw/zinc/23/15/50/334231550.db2.gz KTFDPWMPDAZVHU-VJQLOYKJSA-N 2 0 317.235 3.738 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414999574 334238083 /nfs/dbraw/zinc/23/80/83/334238083.db2.gz JJBVHNCAEQVHIW-IVMMDQJWSA-N 2 0 314.395 3.744 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000415000622 334239941 /nfs/dbraw/zinc/23/99/41/334239941.db2.gz TVCZSMJJLCBLAO-VQTJNVASSA-N 2 0 324.468 3.873 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)o1 ZINC000415003339 334241490 /nfs/dbraw/zinc/24/14/90/334241490.db2.gz FUKZYLUDHJGDFE-FUHWJXTLSA-N 2 0 314.404 3.563 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000415004971 334245689 /nfs/dbraw/zinc/24/56/89/334245689.db2.gz YNMOYFKMIASMSO-ICSRJNTNSA-N 2 0 324.468 3.873 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000467744398 334275863 /nfs/dbraw/zinc/27/58/63/334275863.db2.gz UBDFPROSSRCZPT-ZIFCJYIRSA-N 2 0 303.494 3.941 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000415012036 334258463 /nfs/dbraw/zinc/25/84/63/334258463.db2.gz WUWSQIIELHWWCO-TZMCWYRMSA-N 2 0 300.368 3.621 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000415016433 334258693 /nfs/dbraw/zinc/25/86/93/334258693.db2.gz POHOCYSBISIACY-JTQLQIEISA-N 2 0 319.674 3.710 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415014570 334258746 /nfs/dbraw/zinc/25/87/46/334258746.db2.gz MTCMYRRMWROVFB-OLZOCXBDSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000415018614 334258986 /nfs/dbraw/zinc/25/89/86/334258986.db2.gz HFMFIHJRVUSBLD-GOSISDBHSA-N 2 0 310.485 3.805 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1 ZINC000415050582 334258989 /nfs/dbraw/zinc/25/89/89/334258989.db2.gz IPAKIFJQWSVFQW-QGZVFWFLSA-N 2 0 320.383 3.858 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000415019942 334259310 /nfs/dbraw/zinc/25/93/10/334259310.db2.gz FPOCEJIPHBYKAO-QAQDUYKDSA-N 2 0 309.457 3.603 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000415028195 334260063 /nfs/dbraw/zinc/26/00/63/334260063.db2.gz YFKQHFRPWJYTPJ-HDJSIYSDSA-N 2 0 307.507 3.655 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000415028412 334260129 /nfs/dbraw/zinc/26/01/29/334260129.db2.gz CSRYRNRXFRPUAX-IUODEOHRSA-N 2 0 304.434 3.771 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415037441 334260519 /nfs/dbraw/zinc/26/05/19/334260519.db2.gz MKIJXTYXKYCZMT-RBBKRZOGSA-N 2 0 322.496 3.805 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415038514 334260682 /nfs/dbraw/zinc/26/06/82/334260682.db2.gz HWGWHJKRRAZSMD-WMLDXEAASA-N 2 0 300.471 3.865 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000415042050 334260920 /nfs/dbraw/zinc/26/09/20/334260920.db2.gz MAFPDDHKBATDTL-CTNGQTDRSA-N 2 0 324.468 3.812 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000415048857 334261415 /nfs/dbraw/zinc/26/14/15/334261415.db2.gz GINIWLWFVVCDDT-OAQYLSRUSA-N 2 0 323.484 3.725 20 0 DHADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000415060425 334262139 /nfs/dbraw/zinc/26/21/39/334262139.db2.gz WTALJWVBIHADCY-ICSRJNTNSA-N 2 0 324.468 3.622 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000415061839 334262333 /nfs/dbraw/zinc/26/23/33/334262333.db2.gz YUWWQUWOFNCDFD-SFHVURJKSA-N 2 0 321.424 3.510 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](CN)C1CCCC1 ZINC000415071647 334265463 /nfs/dbraw/zinc/26/54/63/334265463.db2.gz WZBZNTNZPJMGCD-WBMJQRKESA-N 2 0 314.395 3.744 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000514093433 334269648 /nfs/dbraw/zinc/26/96/48/334269648.db2.gz FXARNNNAKHCRNA-JCGIZDLHSA-N 2 0 324.896 3.690 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000514093435 334269841 /nfs/dbraw/zinc/26/98/41/334269841.db2.gz FXARNNNAKHCRNA-WBAXXEDZSA-N 2 0 324.896 3.690 20 0 DHADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415091770 334280212 /nfs/dbraw/zinc/28/02/12/334280212.db2.gz ZZZPBNVSFXFSPS-HKUYNNGSSA-N 2 0 324.468 3.853 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415092638 334280409 /nfs/dbraw/zinc/28/04/09/334280409.db2.gz UBGDLKOBGBROHF-GFOFROLCSA-N 2 0 310.869 3.536 20 0 DHADRP [NH3+]C1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000415107402 334281536 /nfs/dbraw/zinc/28/15/36/334281536.db2.gz NXTWWFGNXZRATN-UHFFFAOYSA-N 2 0 312.379 3.597 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000415102122 334282436 /nfs/dbraw/zinc/28/24/36/334282436.db2.gz JJHLIQXYGZCLKU-BGIURUKPSA-N 2 0 308.416 3.579 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000415102125 334282487 /nfs/dbraw/zinc/28/24/87/334282487.db2.gz JJHLIQXYGZCLKU-UOAMXJAYSA-N 2 0 308.416 3.579 20 0 DHADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415101829 334282525 /nfs/dbraw/zinc/28/25/25/334282525.db2.gz IIUYEFSDERAHFA-IOASZLSFSA-N 2 0 314.395 3.929 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)s2)cc1 ZINC000415103243 334282881 /nfs/dbraw/zinc/28/28/81/334282881.db2.gz CYGWBUDWQXOXAJ-GDBMZVCRSA-N 2 0 315.486 3.535 20 0 DHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000415125599 334283474 /nfs/dbraw/zinc/28/34/74/334283474.db2.gz OMOINEQMMFCOII-CTNGQTDRSA-N 2 0 324.468 3.558 20 0 DHADRP CCCC1CCC(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000415118404 334283868 /nfs/dbraw/zinc/28/38/68/334283868.db2.gz DDZVQOISQYBKAB-WXDAQCLHSA-N 2 0 322.537 3.811 20 0 DHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000415121503 334284643 /nfs/dbraw/zinc/28/46/43/334284643.db2.gz IFNXISDCQYUGPD-MOPGFXCFSA-N 2 0 308.510 3.565 20 0 DHADRP CC(C)c1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415130713 334285655 /nfs/dbraw/zinc/28/56/55/334285655.db2.gz RLIGGYBNTXGWEJ-UXHICEINSA-N 2 0 316.489 3.528 20 0 DHADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000531960637 334316730 /nfs/dbraw/zinc/31/67/30/334316730.db2.gz OPRBLQOVUQDSRZ-HKUYNNGSSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)C1CCOCC1 ZINC000531977387 334346713 /nfs/dbraw/zinc/34/67/13/334346713.db2.gz MAXGGUIMSMNGLN-LJQANCHMSA-N 2 0 310.526 3.539 20 0 DHADRP CCCOc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000535067797 334363203 /nfs/dbraw/zinc/36/32/03/334363203.db2.gz LGOKLZNDUXIUQL-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC(C)(C)C3)cc2)CC1 ZINC000342808071 334578613 /nfs/dbraw/zinc/57/86/13/334578613.db2.gz KEMQSMRWLIDNLB-QGZVFWFLSA-N 2 0 316.489 3.828 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCC(C)(C)C3)cc2)CC1 ZINC000342808070 334578693 /nfs/dbraw/zinc/57/86/93/334578693.db2.gz KEMQSMRWLIDNLB-KRWDZBQOSA-N 2 0 316.489 3.828 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCC3(C)C)cc2)CC1 ZINC000342815224 334580156 /nfs/dbraw/zinc/58/01/56/334580156.db2.gz ZNEBKHORTKAXOJ-LJQANCHMSA-N 2 0 316.489 3.828 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189006876 334880371 /nfs/dbraw/zinc/88/03/71/334880371.db2.gz AITBLNMRVHQBCT-AZUAARDMSA-N 2 0 300.490 3.860 20 0 DHADRP Oc1ccc(C2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000343634756 335183451 /nfs/dbraw/zinc/18/34/51/335183451.db2.gz UKJWGNMRAKPQCG-FYOYPEGLSA-N 2 0 314.473 3.635 20 0 DHADRP Oc1ccc(C2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000343634755 335183477 /nfs/dbraw/zinc/18/34/77/335183477.db2.gz UKJWGNMRAKPQCG-AWRGBYNESA-N 2 0 314.473 3.635 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(CC)CC ZINC000344027313 335210216 /nfs/dbraw/zinc/21/02/16/335210216.db2.gz VFCDAMSUMKMURP-QZTJIDSGSA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1(C)C ZINC000344087997 335216736 /nfs/dbraw/zinc/21/67/36/335216736.db2.gz MULOYEOTEPRANX-RTBURBONSA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C12CCCC2 ZINC000344113806 335218274 /nfs/dbraw/zinc/21/82/74/335218274.db2.gz MSUWRDFJZUJQRJ-RBUKOAKNSA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C12CCCC2 ZINC000344113804 335218353 /nfs/dbraw/zinc/21/83/53/335218353.db2.gz MSUWRDFJZUJQRJ-OALUTQOASA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C12CCC2 ZINC000344161084 335226213 /nfs/dbraw/zinc/22/62/13/335226213.db2.gz FVOTWPGNVOVBOT-MOPGFXCFSA-N 2 0 316.489 3.576 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C12CCC2 ZINC000344161085 335226302 /nfs/dbraw/zinc/22/63/02/335226302.db2.gz FVOTWPGNVOVBOT-OALUTQOASA-N 2 0 316.489 3.576 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000346060130 335371659 /nfs/dbraw/zinc/37/16/59/335371659.db2.gz IMFHQSFZRUUNSE-GJZGRUSLSA-N 2 0 308.416 3.629 20 0 DHADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1cccc(F)c1 ZINC000346139097 335380208 /nfs/dbraw/zinc/38/02/08/335380208.db2.gz KJVCZBGKRXZXTQ-UHFFFAOYSA-N 2 0 324.403 3.737 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c3ncccc3c2)[C@@H](C)C1 ZINC000346221214 335385769 /nfs/dbraw/zinc/38/57/69/335385769.db2.gz OADUYJJTXFHFKQ-QFBILLFUSA-N 2 0 311.473 3.705 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000346212409 335391047 /nfs/dbraw/zinc/39/10/47/335391047.db2.gz XEYJYRKEQLTMLD-LJQANCHMSA-N 2 0 312.461 3.976 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000347049083 335461397 /nfs/dbraw/zinc/46/13/97/335461397.db2.gz PULPRSDKEOOSCA-LBPRGKRZSA-N 2 0 319.449 3.508 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000347073683 335463681 /nfs/dbraw/zinc/46/36/81/335463681.db2.gz RVAFNUQIWBOUFR-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347614909 335510928 /nfs/dbraw/zinc/51/09/28/335510928.db2.gz QANRFWWGRCBWHZ-IBGZPJMESA-N 2 0 310.526 3.780 20 0 DHADRP c1ccc([C@H]2C[C@H]2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000417955218 336031011 /nfs/dbraw/zinc/03/10/11/336031011.db2.gz CUXKTWKSIOISGA-PZJWPPBQSA-N 2 0 321.468 3.691 20 0 DHADRP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000351731281 336063104 /nfs/dbraw/zinc/06/31/04/336063104.db2.gz UUZYIQGYMCXPCW-KRWDZBQOSA-N 2 0 302.805 3.697 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)c1ccc(F)cc1 ZINC000526112978 336165375 /nfs/dbraw/zinc/16/53/75/336165375.db2.gz QPDLQGNIDZERLV-AWEZNQCLSA-N 2 0 318.411 3.920 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000333337871 336202058 /nfs/dbraw/zinc/20/20/58/336202058.db2.gz XKSJMXSTFKSCIG-IAGOWNOFSA-N 2 0 301.478 3.667 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000333342011 336202118 /nfs/dbraw/zinc/20/21/18/336202118.db2.gz YHTIGSRUVJJYOR-BDXSIMOUSA-N 2 0 301.478 3.523 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(OC)c(OC)c1 ZINC000352246455 336206604 /nfs/dbraw/zinc/20/66/04/336206604.db2.gz PVOMFPZAWVOLCG-IRXDYDNUSA-N 2 0 320.477 3.619 20 0 DHADRP C[C@H](c1ccccn1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352441073 336218929 /nfs/dbraw/zinc/21/89/29/336218929.db2.gz SIWPYNRYUXRVHE-MISYRCLQSA-N 2 0 321.468 3.597 20 0 DHADRP Cc1cc(CN2CCCC[C@@H]2CC[NH3+])sc1Br ZINC000352526701 336222850 /nfs/dbraw/zinc/22/28/50/336222850.db2.gz QRYPIECTLJNZRR-LLVKDONJSA-N 2 0 317.296 3.522 20 0 DHADRP [NH3+]CCC[N@@H+](Cc1cnc(C2CCC2)s1)CC1CCCC1 ZINC000352535681 336222992 /nfs/dbraw/zinc/22/29/92/336222992.db2.gz UHYJHUOEFXGJAK-UHFFFAOYSA-N 2 0 307.507 3.752 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1F ZINC000352553649 336224377 /nfs/dbraw/zinc/22/43/77/336224377.db2.gz CUSGJNHAJVNPBQ-MDZRGWNJSA-N 2 0 322.468 3.756 20 0 DHADRP Cc1oc2ccccc2c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000352654189 336229125 /nfs/dbraw/zinc/22/91/25/336229125.db2.gz ILGWRGWQUOBDKG-UHFFFAOYSA-N 2 0 300.446 3.905 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cn1 ZINC000352721314 336232484 /nfs/dbraw/zinc/23/24/84/336232484.db2.gz RNXYMVGYOFWNGI-KRWDZBQOSA-N 2 0 301.409 3.523 20 0 DHADRP CC[N@@H+]1CCC[C@@H](CNCc2cscc2C(F)(F)F)C1 ZINC000352797687 336237802 /nfs/dbraw/zinc/23/78/02/336237802.db2.gz MVCMECATEPDOHU-NSHDSACASA-N 2 0 306.397 3.588 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C2CCCCC2)[C@H](C)C1 ZINC000532468507 336249362 /nfs/dbraw/zinc/24/93/62/336249362.db2.gz WQNHXXIBPSYZPE-NSHGMRRFSA-N 2 0 324.553 3.929 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000532468505 336249473 /nfs/dbraw/zinc/24/94/73/336249473.db2.gz WQNHXXIBPSYZPE-HBFSDRIKSA-N 2 0 324.553 3.929 20 0 DHADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000532485192 336251682 /nfs/dbraw/zinc/25/16/82/336251682.db2.gz MTYGQPGEVGQCDQ-XHSDSOJGSA-N 2 0 321.484 3.663 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CCCN(C)C3)c(C)c2c1 ZINC000532505975 336252770 /nfs/dbraw/zinc/25/27/70/336252770.db2.gz QTWIWDKDEFWJHZ-GJZGRUSLSA-N 2 0 316.445 3.742 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000352861451 336281943 /nfs/dbraw/zinc/28/19/43/336281943.db2.gz JZOPDSSWILNURR-GHRIWEEISA-N 2 0 316.489 3.558 20 0 DHADRP Cc1ccc([C@@H](CNc2nc(C)nc(C)c2C)[NH+]2CCCC2)o1 ZINC000301676907 336322864 /nfs/dbraw/zinc/32/28/64/336322864.db2.gz HWHYNXRFOVQGDH-MRXNPFEDSA-N 2 0 314.433 3.552 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482634754 336324234 /nfs/dbraw/zinc/32/42/34/336324234.db2.gz VEDGMHKRPHEVBJ-HUUCEWRRSA-N 2 0 324.896 3.565 20 0 DHADRP COc1ccccc1[C@H](CNc1cc[nH+]c(C)c1)[NH+]1CCCC1 ZINC000302257261 336356326 /nfs/dbraw/zinc/35/63/26/336356326.db2.gz CGJGSFQWOAWDDF-SFHVURJKSA-N 2 0 311.429 3.648 20 0 DHADRP CN1CC[C@@H](Nc2ccncc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000302802386 336369910 /nfs/dbraw/zinc/36/99/10/336369910.db2.gz DACPTYZTCCQVGM-HZPDHXFCSA-N 2 0 323.774 3.871 20 0 DHADRP C[C@@H](CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OCc1ccccc1 ZINC000352921688 336377207 /nfs/dbraw/zinc/37/72/07/336377207.db2.gz KFNBUBDPQKMFJL-DAABDDCCSA-N 2 0 316.489 3.539 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352964487 336379627 /nfs/dbraw/zinc/37/96/27/336379627.db2.gz BODXMDJPCJYMJX-BJLQDIEVSA-N 2 0 323.484 3.951 20 0 DHADRP Fc1ccc(C2=CC[C@H]([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000353542450 336423613 /nfs/dbraw/zinc/42/36/13/336423613.db2.gz MEUTWMMOTKFRLN-IBGZPJMESA-N 2 0 302.437 3.837 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CCC2 ZINC000353629871 336430048 /nfs/dbraw/zinc/43/00/48/336430048.db2.gz GJIBZEJNJVHMLC-LADRWXRNSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000193145577 336444181 /nfs/dbraw/zinc/44/41/81/336444181.db2.gz KTSXPVQNCGBNSA-CRAIPNDOSA-N 2 0 301.478 3.712 20 0 DHADRP C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358027050 336607221 /nfs/dbraw/zinc/60/72/21/336607221.db2.gz VDOYQGAACPHYQC-TVKQPGBESA-N 2 0 316.489 3.574 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359275941 336665425 /nfs/dbraw/zinc/66/54/25/336665425.db2.gz GIULEHAGXTWREW-KRWDZBQOSA-N 2 0 319.449 3.552 20 0 DHADRP c1cc(CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccn1 ZINC000360493569 336713010 /nfs/dbraw/zinc/71/30/10/336713010.db2.gz XSLLJVFQNSFEBC-UHFFFAOYSA-N 2 0 315.505 3.602 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362913166 336814585 /nfs/dbraw/zinc/81/45/85/336814585.db2.gz LPYBXNLEGWADFS-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@H](CC1CC1)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368401979 336844049 /nfs/dbraw/zinc/84/40/49/336844049.db2.gz IAHMJVKKOYXQAC-CRAIPNDOSA-N 2 0 314.473 3.753 20 0 DHADRP Cc1csc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121678168 336970332 /nfs/dbraw/zinc/97/03/32/336970332.db2.gz GAPHMHQQRJWCDB-UHFFFAOYSA-N 2 0 307.507 3.540 20 0 DHADRP CC/C=C/CC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000375485665 337012026 /nfs/dbraw/zinc/01/20/26/337012026.db2.gz HITAEIZEWQKSQD-WVBURXTLSA-N 2 0 307.507 3.608 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000376608812 337037934 /nfs/dbraw/zinc/03/79/34/337037934.db2.gz GSYFBKKYWLLVPC-LJQANCHMSA-N 2 0 322.537 3.683 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@@H]1c1ccccc1 ZINC000377766728 337060374 /nfs/dbraw/zinc/06/03/74/337060374.db2.gz ZUGOYYOBCPVQIW-APWZRJJASA-N 2 0 316.395 3.747 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnc(C3CCCC3)s2)C1 ZINC000377839706 337062354 /nfs/dbraw/zinc/06/23/54/337062354.db2.gz LOLPXTDTDIBQCX-RDJZCZTQSA-N 2 0 319.518 3.717 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CCC(C(F)(F)F)CC2)C1 ZINC000377839039 337062394 /nfs/dbraw/zinc/06/23/94/337062394.db2.gz FRCLTZVXFKRDMY-BHDPWAOGSA-N 2 0 318.427 3.771 20 0 DHADRP COc1cc([C@H](C)[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000377893511 337063502 /nfs/dbraw/zinc/06/35/02/337063502.db2.gz JYJMIQWGPYHWGN-YOEHRIQHSA-N 2 0 320.452 3.559 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)(C)C ZINC000378440656 337072775 /nfs/dbraw/zinc/07/27/75/337072775.db2.gz DAOSDVQJLJSIAY-NVXWUHKLSA-N 2 0 316.489 3.999 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC3 ZINC000378491742 337074197 /nfs/dbraw/zinc/07/41/97/337074197.db2.gz GOSBESUDNYHHBW-BRWVUGGUSA-N 2 0 323.484 3.550 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000582633007 337116504 /nfs/dbraw/zinc/11/65/04/337116504.db2.gz KUOOJSKXLHCYMU-ONEGZZNKSA-N 2 0 308.416 3.642 20 0 DHADRP C[N@@H+](Cc1cc(Cl)cc2cccnc21)CC1CC[NH+](C)CC1 ZINC000172534309 337129895 /nfs/dbraw/zinc/12/98/95/337129895.db2.gz VPIUFQHFZBFRLR-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCc2ccncc2C)CC1 ZINC000514670552 337153597 /nfs/dbraw/zinc/15/35/97/337153597.db2.gz WETUECADVGGVDQ-UHFFFAOYSA-N 2 0 317.521 3.767 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000178047648 337160087 /nfs/dbraw/zinc/16/00/87/337160087.db2.gz CPADJRWAQJJPGS-ZWKOTPCHSA-N 2 0 318.505 3.966 20 0 DHADRP Brc1cccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178958053 337166574 /nfs/dbraw/zinc/16/65/74/337166574.db2.gz MZWUEFZGEXSSRS-INIZCTEOSA-N 2 0 323.278 3.586 20 0 DHADRP Fc1cccc(F)c1C[N@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000178972362 337166614 /nfs/dbraw/zinc/16/66/14/337166614.db2.gz KAULGDBANHECDQ-UHFFFAOYSA-N 2 0 308.416 3.709 20 0 DHADRP c1csc([C@H]2c3ccsc3CC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178956372 337166646 /nfs/dbraw/zinc/16/66/46/337166646.db2.gz MRRKETUXYHCVFJ-QGZVFWFLSA-N 2 0 318.511 3.757 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCCn1ccnc1 ZINC000179963657 337172829 /nfs/dbraw/zinc/17/28/29/337172829.db2.gz QFIPMUBKRPKMBB-QGZVFWFLSA-N 2 0 303.475 3.680 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C[C@@H]2CCCS2)C3)cc1 ZINC000180158489 337175000 /nfs/dbraw/zinc/17/50/00/337175000.db2.gz QXJVEOAZPWXLGO-IPQPSQTFSA-N 2 0 316.514 3.667 20 0 DHADRP Cc1cccc2oc(CC[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)nc21 ZINC000583078267 337236525 /nfs/dbraw/zinc/23/65/25/337236525.db2.gz HVYRPDKJVKKPOQ-HOTGVXAUSA-N 2 0 315.461 3.579 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000583170609 337251010 /nfs/dbraw/zinc/25/10/10/337251010.db2.gz FONCQUWJUPCEOS-SUMDDJOVSA-N 2 0 304.453 3.563 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccsc1 ZINC000187726666 337269598 /nfs/dbraw/zinc/26/95/98/337269598.db2.gz BQWDWQFQVJMPTH-MAUKXSAKSA-N 2 0 322.518 3.680 20 0 DHADRP Fc1cccc(Cl)c1CCCN1CCC([NH2+]CC2CC2)CC1 ZINC000583204426 337270261 /nfs/dbraw/zinc/27/02/61/337270261.db2.gz LBHKRRKCIHTJHO-UHFFFAOYSA-N 2 0 324.871 3.876 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cncn2C(C)C)cc1 ZINC000321506345 337272371 /nfs/dbraw/zinc/27/23/71/337272371.db2.gz HLYOXKGNXZRJEH-UHFFFAOYSA-N 2 0 314.477 3.596 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000189439240 337279842 /nfs/dbraw/zinc/27/98/42/337279842.db2.gz PYRUJBFANIHWRK-INIZCTEOSA-N 2 0 319.468 3.697 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398144231 337307223 /nfs/dbraw/zinc/30/72/23/337307223.db2.gz NIWLZNYMUCHYSW-GHTZIAJQSA-N 2 0 308.469 3.995 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000584437479 337325194 /nfs/dbraw/zinc/32/51/94/337325194.db2.gz KSTSIVBVSHGJEU-LPHOPBHVSA-N 2 0 318.480 3.811 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1)CC(C)C ZINC000584583026 337368372 /nfs/dbraw/zinc/36/83/72/337368372.db2.gz BPRQWOLWEFROPI-AZUAARDMSA-N 2 0 324.553 3.882 20 0 DHADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584665186 337379760 /nfs/dbraw/zinc/37/97/60/337379760.db2.gz CLSBDPXMWJMFFE-VUHPKUFZSA-N 2 0 302.462 3.545 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000119267166 337394518 /nfs/dbraw/zinc/39/45/18/337394518.db2.gz CIKSBWQDXBXNEX-KBAYOESNSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000126206876 337415759 /nfs/dbraw/zinc/41/57/59/337415759.db2.gz BVQYBDMPUUMAIT-MRXNPFEDSA-N 2 0 310.869 3.731 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC([C@H]3CC[NH2+]C3)CC1)CCC2 ZINC000420319003 337498109 /nfs/dbraw/zinc/49/81/09/337498109.db2.gz RAGUYNOOBIDCGY-QFBILLFUSA-N 2 0 302.437 3.525 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCCC[C@H]2C(C)C)cc1 ZINC000420419187 337500916 /nfs/dbraw/zinc/50/09/16/337500916.db2.gz XIVWOTKXSPMVET-NZSAHSFTSA-N 2 0 304.478 3.542 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncc(F)c1 ZINC000247146877 337558051 /nfs/dbraw/zinc/55/80/51/337558051.db2.gz SQOGUWCSALNNOO-BZUAXINKSA-N 2 0 307.457 3.629 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(C)ccc1OC ZINC000421877434 337658191 /nfs/dbraw/zinc/65/81/91/337658191.db2.gz LUVOYJXNAHMJQJ-LEOMRAHMSA-N 2 0 304.478 3.917 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000422702026 337683502 /nfs/dbraw/zinc/68/35/02/337683502.db2.gz JWHJHTXMIUOMSC-AWEZNQCLSA-N 2 0 305.425 3.853 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c21 ZINC000422711811 337683791 /nfs/dbraw/zinc/68/37/91/337683791.db2.gz HKNFNXTXVDWYOZ-RCCFBDPRSA-N 2 0 311.473 3.529 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772409 337685860 /nfs/dbraw/zinc/68/58/60/337685860.db2.gz YHZCYICHDMIJSB-JCKWVBRZSA-N 2 0 314.454 3.655 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422786313 337686597 /nfs/dbraw/zinc/68/65/97/337686597.db2.gz KTYQWVADXXCTHL-LAVFITLUSA-N 2 0 304.503 3.678 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790993 337686698 /nfs/dbraw/zinc/68/66/98/337686698.db2.gz CSHLVFXQBCSDFQ-ZVDOUQERSA-N 2 0 320.436 3.519 20 0 DHADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422795367 337687030 /nfs/dbraw/zinc/68/70/30/337687030.db2.gz VJRRFNJOBQLXFA-BTHPGYMESA-N 2 0 316.489 3.663 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(c2ccccc2)CCC1 ZINC000422811136 337687682 /nfs/dbraw/zinc/68/76/82/337687682.db2.gz ONNMRXGBZLUIIW-PXNSSMCTSA-N 2 0 308.469 3.656 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000422825781 337688339 /nfs/dbraw/zinc/68/83/39/337688339.db2.gz KHNZRIKRMPRDRL-AJUCZRQESA-N 2 0 324.415 3.773 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H](C)CCC[NH3+])s2)cc1 ZINC000422830178 337688380 /nfs/dbraw/zinc/68/83/80/337688380.db2.gz VIMYZOOACIHIIX-CYBMUJFWSA-N 2 0 304.459 3.641 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]CC3)oc21 ZINC000422789960 337688787 /nfs/dbraw/zinc/68/87/87/337688787.db2.gz STOIISFIEGDUBV-UKRRQHHQSA-N 2 0 302.418 3.624 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000422861927 337689125 /nfs/dbraw/zinc/68/91/25/337689125.db2.gz PCIXPEODCQFEDS-HIFRSBDPSA-N 2 0 315.486 3.905 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422887196 337690191 /nfs/dbraw/zinc/69/01/91/337690191.db2.gz KIUXNYKUHPJQRV-KKSFZXQISA-N 2 0 321.468 3.649 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422912783 337691037 /nfs/dbraw/zinc/69/10/37/337691037.db2.gz OASTUACGIBLRKV-GOEBONIOSA-N 2 0 321.534 3.711 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422912225 337691058 /nfs/dbraw/zinc/69/10/58/337691058.db2.gz MSHSAHWSLQTFSJ-CQSZACIVSA-N 2 0 309.523 3.840 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000422932286 337692044 /nfs/dbraw/zinc/69/20/44/337692044.db2.gz YYYAJERGCGCNJF-OBJOEFQTSA-N 2 0 316.367 3.624 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000422933447 337692270 /nfs/dbraw/zinc/69/22/70/337692270.db2.gz DLJROUKLJJJOKG-HYVNUMGLSA-N 2 0 322.880 3.749 20 0 DHADRP C[C@H]([NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1C[NH2+]C1 ZINC000422936166 337692311 /nfs/dbraw/zinc/69/23/11/337692311.db2.gz FAXBFDZSNKRJPJ-IFXJQAMLSA-N 2 0 314.860 3.821 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000422943208 337692867 /nfs/dbraw/zinc/69/28/67/337692867.db2.gz XROWPNKTNNEENO-CYBMUJFWSA-N 2 0 315.848 3.842 20 0 DHADRP COc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)ccc1OCCC(C)C ZINC000422945714 337692978 /nfs/dbraw/zinc/69/29/78/337692978.db2.gz NOBILCCYJYVEKY-HNNXBMFYSA-N 2 0 320.477 3.523 20 0 DHADRP CC(C)C[C@@H](C)Oc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccn1 ZINC000422979968 337693531 /nfs/dbraw/zinc/69/35/31/337693531.db2.gz OBUXNORZIYATAC-KLHKWILBSA-N 2 0 319.493 3.502 20 0 DHADRP C(=C/c1ccccc1)\C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983552 337693713 /nfs/dbraw/zinc/69/37/13/337693713.db2.gz ZXKUKINPGWHDFY-KJRVTTDBSA-N 2 0 320.436 3.545 20 0 DHADRP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422992719 337693869 /nfs/dbraw/zinc/69/38/69/337693869.db2.gz DGPFDSACJFFWEE-WXVPWVKJSA-N 2 0 302.462 3.545 20 0 DHADRP c1ccc(-c2cccc3c2OCC[C@H]3[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422954142 337694643 /nfs/dbraw/zinc/69/46/43/337694643.db2.gz HPBPTIQGFOKQAK-FXAWDEMLSA-N 2 0 322.452 3.909 20 0 DHADRP c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422962147 337695080 /nfs/dbraw/zinc/69/50/80/337695080.db2.gz DZSVELHIXATYEJ-MBOZVWFJSA-N 2 0 324.424 3.503 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423032141 337696407 /nfs/dbraw/zinc/69/64/07/337696407.db2.gz DXCNGKZKAQIJOC-WNZJFKNXSA-N 2 0 310.869 3.523 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000423053000 337697328 /nfs/dbraw/zinc/69/73/28/337697328.db2.gz RTELZKKXNKLQGG-KGLIPLIRSA-N 2 0 320.864 3.898 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000423053002 337697387 /nfs/dbraw/zinc/69/73/87/337697387.db2.gz RTELZKKXNKLQGG-ZIAGYGMSSA-N 2 0 320.864 3.898 20 0 DHADRP Cc1oc2ccccc2c1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423056558 337697460 /nfs/dbraw/zinc/69/74/60/337697460.db2.gz YKHTYTQGBYHUQI-GFCCVEGCSA-N 2 0 309.413 3.754 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1-c1ccccc1 ZINC000423066785 337698070 /nfs/dbraw/zinc/69/80/70/337698070.db2.gz XWGBNBGYKUMDOQ-TYCQWZJGSA-N 2 0 324.468 3.504 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1)C1C[NH2+]C1 ZINC000423075377 337698370 /nfs/dbraw/zinc/69/83/70/337698370.db2.gz OKIDIDQKFRUBRE-JKSUJKDBSA-N 2 0 310.441 3.524 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423107536 337699706 /nfs/dbraw/zinc/69/97/06/337699706.db2.gz SIRHYBWMBMFPCT-CHWSQXEVSA-N 2 0 315.486 3.982 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000423128675 337700763 /nfs/dbraw/zinc/70/07/63/337700763.db2.gz WENPWUARWOXWDO-CTNGQTDRSA-N 2 0 324.468 3.711 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423128330 337700832 /nfs/dbraw/zinc/70/08/32/337700832.db2.gz VRYBLYAREPLQCN-GSEOLPGOSA-N 2 0 316.489 3.807 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423140137 337701373 /nfs/dbraw/zinc/70/13/73/337701373.db2.gz XLUBMWHSSGOXAM-XHSDSOJGSA-N 2 0 314.395 3.830 20 0 DHADRP Fc1ccc(F)c(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423162791 337702061 /nfs/dbraw/zinc/70/20/61/337702061.db2.gz QDQMUEMIWIOYAW-JWTNVVGKSA-N 2 0 320.427 3.502 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000423170254 337702260 /nfs/dbraw/zinc/70/22/60/337702260.db2.gz XPZFOFGDMKHRIE-JXSMBQFASA-N 2 0 306.881 3.954 20 0 DHADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423166475 337702284 /nfs/dbraw/zinc/70/22/84/337702284.db2.gz ZIAIXRHRPXPMMN-CIWUYKSXSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423171072 337702289 /nfs/dbraw/zinc/70/22/89/337702289.db2.gz NIWCCDIISUCEFD-RHSMWYFYSA-N 2 0 306.881 3.640 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423170255 337702302 /nfs/dbraw/zinc/70/23/02/337702302.db2.gz XPZFOFGDMKHRIE-KMANFZQXSA-N 2 0 306.881 3.954 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423168303 337702304 /nfs/dbraw/zinc/70/23/04/337702304.db2.gz UFWYGQAJGVNWIK-IDHHARJASA-N 2 0 302.462 3.657 20 0 DHADRP [NH3+]C1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCCCCC1 ZINC000423198566 337703557 /nfs/dbraw/zinc/70/35/57/337703557.db2.gz GPBZEJSPTRLSRO-UHFFFAOYSA-N 2 0 308.510 3.898 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423203232 337703748 /nfs/dbraw/zinc/70/37/48/337703748.db2.gz RYTAFHGMDSOZNL-NSHDSACASA-N 2 0 307.438 3.518 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423209721 337704217 /nfs/dbraw/zinc/70/42/17/337704217.db2.gz JJSAKVYAIIJKHG-UKRRQHHQSA-N 2 0 315.486 3.769 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000423214588 337704578 /nfs/dbraw/zinc/70/45/78/337704578.db2.gz LHZJGMLHFQFPAL-AJTLQJAISA-N 2 0 320.452 3.720 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCS2 ZINC000423220915 337705432 /nfs/dbraw/zinc/70/54/32/337705432.db2.gz YWHGGBMYELMSKA-DOMZBBRYSA-N 2 0 310.894 3.856 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1OC(F)(F)F ZINC000423221890 337705569 /nfs/dbraw/zinc/70/55/69/337705569.db2.gz YPGQZVGZGIAYNO-VOMCLLRMSA-N 2 0 302.340 3.506 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423229059 337705905 /nfs/dbraw/zinc/70/59/05/337705905.db2.gz ADZOKZMVBBCWRB-BMFZPTHFSA-N 2 0 312.379 3.683 20 0 DHADRP Fc1ccc(C([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423243890 337706710 /nfs/dbraw/zinc/70/67/10/337706710.db2.gz GTKXFLLLAPSYFJ-AWEZNQCLSA-N 2 0 316.395 3.643 20 0 DHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423248661 337707231 /nfs/dbraw/zinc/70/72/31/337707231.db2.gz RVXFUAMWROSJSZ-VAMGGRTRSA-N 2 0 309.457 3.544 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423253282 337707524 /nfs/dbraw/zinc/70/75/24/337707524.db2.gz VRBCSFCRFUISGI-ROUUACIJSA-N 2 0 324.468 3.916 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256547 337707764 /nfs/dbraw/zinc/70/77/64/337707764.db2.gz BYWBPUAKKUYDNJ-HNAYVOBHSA-N 2 0 311.473 3.833 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261357 337707940 /nfs/dbraw/zinc/70/79/40/337707940.db2.gz RYSWSSGQJQCKJC-ABAIWWIYSA-N 2 0 313.272 3.960 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423264773 337708111 /nfs/dbraw/zinc/70/81/11/337708111.db2.gz YZFRKIIHDHDDOK-XJKSGUPXSA-N 2 0 310.869 3.779 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423278785 337709012 /nfs/dbraw/zinc/70/90/12/337709012.db2.gz RNOQDCFJEXFVPF-HUUCEWRRSA-N 2 0 315.486 3.850 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCCS2 ZINC000423282793 337709300 /nfs/dbraw/zinc/70/93/00/337709300.db2.gz WYPSRAVJDFTMCE-RHSMWYFYSA-N 2 0 320.502 3.602 20 0 DHADRP Cc1c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cnn1C(C)C ZINC000423296167 337710858 /nfs/dbraw/zinc/71/08/58/337710858.db2.gz YMPJCFBKNWNWAU-KBPBESRZSA-N 2 0 300.450 3.643 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423300607 337711166 /nfs/dbraw/zinc/71/11/66/337711166.db2.gz SASVODMWLFRKKG-RISCZKNCSA-N 2 0 319.449 3.511 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OCC ZINC000423324843 337711899 /nfs/dbraw/zinc/71/18/99/337711899.db2.gz JDABUTKAORLGPF-DNVCBOLYSA-N 2 0 320.477 3.524 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)c(C)c2c1 ZINC000423324653 337711911 /nfs/dbraw/zinc/71/19/11/337711911.db2.gz IUOXZZGLHXKDDR-LIRRHRJNSA-N 2 0 316.445 3.790 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423327815 337712102 /nfs/dbraw/zinc/71/21/02/337712102.db2.gz KEEZIRYUIRTECD-SFHVURJKSA-N 2 0 302.849 3.952 20 0 DHADRP FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423351280 337713413 /nfs/dbraw/zinc/71/34/13/337713413.db2.gz HSWPAEDKVURDOI-SJORKVTESA-N 2 0 324.390 3.851 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423362412 337714483 /nfs/dbraw/zinc/71/44/83/337714483.db2.gz HSOOMJZCGBUMGO-DAXOMENPSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000423398449 337715534 /nfs/dbraw/zinc/71/55/34/337715534.db2.gz OYQUVDGJIUUISH-HLIPFELVSA-N 2 0 308.469 3.795 20 0 DHADRP COCC1(C[NH2+][C@@H](C)c2cc3ccccc3s2)CC[NH2+]CC1 ZINC000423409447 337716132 /nfs/dbraw/zinc/71/61/32/337716132.db2.gz QDEGAGXSXMVQSV-AWEZNQCLSA-N 2 0 318.486 3.568 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCCC[NH3+])CCCS2 ZINC000423420611 337716740 /nfs/dbraw/zinc/71/67/40/337716740.db2.gz BPVFXHSNKMDPLL-CZUORRHYSA-N 2 0 308.491 3.729 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423422561 337716891 /nfs/dbraw/zinc/71/68/91/337716891.db2.gz BKCIJTPTFHSIIX-COCCGSRQSA-N 2 0 306.881 3.810 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)c(F)c1 ZINC000423395766 337718698 /nfs/dbraw/zinc/71/86/98/337718698.db2.gz RXFICSUUXKXOQO-DLOVCJGASA-N 2 0 315.230 3.509 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423431250 337718757 /nfs/dbraw/zinc/71/87/57/337718757.db2.gz IPEKLHHNKKHZNA-NUEKZKHPSA-N 2 0 322.905 3.855 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1SC ZINC000423434304 337718968 /nfs/dbraw/zinc/71/89/68/337718968.db2.gz XPURDJIVZFQINS-KKUMJFAQSA-N 2 0 322.518 3.833 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H](C)CCCC[NH3+])cc1F ZINC000423437852 337719151 /nfs/dbraw/zinc/71/91/51/337719151.db2.gz QXKMNSYKVWFASD-QILLFSRXSA-N 2 0 322.468 3.968 20 0 DHADRP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423442361 337719359 /nfs/dbraw/zinc/71/93/59/337719359.db2.gz PTTQRWNWIOZRMW-RRQGHBQHSA-N 2 0 304.503 3.837 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423443793 337719536 /nfs/dbraw/zinc/71/95/36/337719536.db2.gz AQGZXMMQOCWIGP-RDTXWAMCSA-N 2 0 317.864 3.736 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423451236 337720093 /nfs/dbraw/zinc/72/00/93/337720093.db2.gz IGBWPAXTPWJYGU-FZMZJTMJSA-N 2 0 304.356 3.753 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423456422 337720435 /nfs/dbraw/zinc/72/04/35/337720435.db2.gz NOQNXGZMVXDZHD-OLZOCXBDSA-N 2 0 302.384 3.744 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423468137 337720829 /nfs/dbraw/zinc/72/08/29/337720829.db2.gz JLGZHVRROVFLIT-JFIYKMOQSA-N 2 0 302.462 3.624 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423469593 337721028 /nfs/dbraw/zinc/72/10/28/337721028.db2.gz CTVBYISPLJXXEK-SWLSCSKDSA-N 2 0 300.368 3.888 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)C1CCC(C(F)(F)F)CC1 ZINC000423472980 337721265 /nfs/dbraw/zinc/72/12/65/337721265.db2.gz NNDXZLGCNBECRB-FOZYDTHFSA-N 2 0 306.416 3.851 20 0 DHADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423471432 337721274 /nfs/dbraw/zinc/72/12/74/337721274.db2.gz FEZGVMXSQNASOG-PKOBYXMFSA-N 2 0 314.473 3.511 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423473939 337721489 /nfs/dbraw/zinc/72/14/89/337721489.db2.gz HAKIIOHZUDAQLJ-GDBMZVCRSA-N 2 0 308.853 3.676 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000423479921 337721860 /nfs/dbraw/zinc/72/18/60/337721860.db2.gz VPLWALGWDARGMX-HWWQOWPSSA-N 2 0 323.278 3.544 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000423479920 337721883 /nfs/dbraw/zinc/72/18/83/337721883.db2.gz VPLWALGWDARGMX-HSMVNMDESA-N 2 0 323.278 3.544 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000423489648 337722537 /nfs/dbraw/zinc/72/25/37/337722537.db2.gz WQCCWQTXVKXAKO-OXQOHEQNSA-N 2 0 309.457 3.931 20 0 DHADRP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423490672 337722603 /nfs/dbraw/zinc/72/26/03/337722603.db2.gz XYBMMVUFKAYQLH-DZGCQCFKSA-N 2 0 312.404 3.861 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423491026 337722615 /nfs/dbraw/zinc/72/26/15/337722615.db2.gz YPXIFTGMBKVHCH-HIFRSBDPSA-N 2 0 314.395 3.758 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000423493244 337722689 /nfs/dbraw/zinc/72/26/89/337722689.db2.gz PSDACKWUYUTGMJ-KBEGMRNHSA-N 2 0 320.452 3.578 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc2)c1 ZINC000423493413 337722691 /nfs/dbraw/zinc/72/26/91/337722691.db2.gz PZFJWQBHFGVHQU-QFUCXCTJSA-N 2 0 324.468 3.696 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423491100 337722711 /nfs/dbraw/zinc/72/27/11/337722711.db2.gz JEASGGHEWBKWTB-OBJOEFQTSA-N 2 0 314.445 3.822 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000423494816 337722786 /nfs/dbraw/zinc/72/27/86/337722786.db2.gz BAUVUYRWCVVYKW-RDTXWAMCSA-N 2 0 316.420 3.965 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000423493633 337722793 /nfs/dbraw/zinc/72/27/93/337722793.db2.gz QLMAVOQACOODEZ-URLQWDBASA-N 2 0 302.462 3.644 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423495817 337722985 /nfs/dbraw/zinc/72/29/85/337722985.db2.gz CRNJCUHHLZBMFN-VQTJNVASSA-N 2 0 310.441 3.752 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000423512868 337723988 /nfs/dbraw/zinc/72/39/88/337723988.db2.gz RCBMGZKCLNFKEK-YDHLFZDLSA-N 2 0 310.869 3.905 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423513910 337724227 /nfs/dbraw/zinc/72/42/27/337724227.db2.gz VSVURWCYKIDVJJ-QAPCUYQASA-N 2 0 300.450 3.595 20 0 DHADRP [NH3+]C1(C[NH2+]C2CCC(C(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000423516089 337724319 /nfs/dbraw/zinc/72/43/19/337724319.db2.gz ARAZTYMINQJYQQ-UHFFFAOYSA-N 2 0 312.448 3.554 20 0 DHADRP CSCC1CCC([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423519662 337724321 /nfs/dbraw/zinc/72/43/21/337724321.db2.gz DJXFMFGBBGPDIS-UHFFFAOYSA-N 2 0 322.562 3.651 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423536218 337724758 /nfs/dbraw/zinc/72/47/58/337724758.db2.gz HCOVDIBCCGHTDC-KWCYVHTRSA-N 2 0 310.894 3.793 20 0 DHADRP COc1ccc([C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423480825 337724900 /nfs/dbraw/zinc/72/49/00/337724900.db2.gz NNWWVZPSVFSNFC-PZJWPPBQSA-N 2 0 324.468 3.906 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423481433 337725019 /nfs/dbraw/zinc/72/50/19/337725019.db2.gz WOQDWJMTVAUCEJ-IAGOWNOFSA-N 3 0 323.569 3.773 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2ccncc2)cc1 ZINC000423542161 337725216 /nfs/dbraw/zinc/72/52/16/337725216.db2.gz LUUWEHQTABTMMI-JWOSDPRPSA-N 2 0 321.468 3.787 20 0 DHADRP c1ccc(C[C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423542344 337725237 /nfs/dbraw/zinc/72/52/37/337725237.db2.gz TVXLSVGWMSVYKI-NRFANRHFSA-N 2 0 306.453 3.870 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCCO2 ZINC000423545925 337725326 /nfs/dbraw/zinc/72/53/26/337725326.db2.gz POTCVJYQOQKQBQ-YOKBYHGQSA-N 2 0 320.864 3.531 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423543749 337725335 /nfs/dbraw/zinc/72/53/35/337725335.db2.gz VTNABMDEAYUFAM-CYBMUJFWSA-N 2 0 312.379 3.536 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC000423547620 337725393 /nfs/dbraw/zinc/72/53/93/337725393.db2.gz QBTCLQDGNVWWSN-LUKYLMHMSA-N 2 0 324.468 3.887 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1OC ZINC000423551116 337725448 /nfs/dbraw/zinc/72/54/48/337725448.db2.gz TWBAMFLIQIGKOA-LBEHMCEESA-N 2 0 322.880 3.777 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000423552441 337725485 /nfs/dbraw/zinc/72/54/85/337725485.db2.gz UXMDXOKHFZKGCD-UYWIDEMCSA-N 2 0 324.443 3.893 20 0 DHADRP CC(C)Oc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056522025 337852356 /nfs/dbraw/zinc/85/23/56/337852356.db2.gz CWZWKYPJTUYROZ-UHFFFAOYSA-N 2 0 304.478 3.638 20 0 DHADRP C[NH+]1CCN(CCC[NH2+][C@@H](CCC2CCCC2)C(C)(C)C)CC1 ZINC000564143557 337858443 /nfs/dbraw/zinc/85/84/43/337858443.db2.gz JUIZTIQIGOENAN-IBGZPJMESA-N 2 0 323.569 3.599 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000121758747 337898697 /nfs/dbraw/zinc/89/86/97/337898697.db2.gz PWDFRABRUMYYEO-DLBZAZTESA-N 2 0 318.505 3.899 20 0 DHADRP C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000514824909 337971326 /nfs/dbraw/zinc/97/13/26/337971326.db2.gz CFQXBIDITLEFKJ-NUEKZKHPSA-N 2 0 314.395 3.700 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000516117412 338005687 /nfs/dbraw/zinc/00/56/87/338005687.db2.gz CSMUYCVVGLWRQE-PMACEKPBSA-N 2 0 300.490 3.769 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000425949349 338019140 /nfs/dbraw/zinc/01/91/40/338019140.db2.gz FLLPPQGIVYSDJW-KGLIPLIRSA-N 2 0 316.411 3.814 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000426318845 338026759 /nfs/dbraw/zinc/02/67/59/338026759.db2.gz SQPBEVKSMDZHQB-ZWKOTPCHSA-N 2 0 300.490 3.797 20 0 DHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2nc(C)sc2c1 ZINC000426394241 338030199 /nfs/dbraw/zinc/03/01/99/338030199.db2.gz DCQFIWSDZHRKPR-CVEARBPZSA-N 2 0 315.486 3.663 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000428270830 338045021 /nfs/dbraw/zinc/04/50/21/338045021.db2.gz WFEYTMLXEHAHRM-PKOBYXMFSA-N 2 0 315.505 3.565 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC(C)C)c2ccccc2)[C@@H](C)C1 ZINC000428406271 338050349 /nfs/dbraw/zinc/05/03/49/338050349.db2.gz VPBRSVVJDAJTGZ-IHPCNDPISA-N 2 0 318.505 3.815 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)CC2(OC)CCC2)cc1 ZINC000429371316 338078901 /nfs/dbraw/zinc/07/89/01/338078901.db2.gz HPZPZJRPKZPOLW-KRWDZBQOSA-N 2 0 318.505 3.966 20 0 DHADRP Cc1ccc(-c2ccc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000430112951 338097506 /nfs/dbraw/zinc/09/75/06/338097506.db2.gz GFPFMASYBSIYQY-FQEVSTJZSA-N 2 0 310.441 3.783 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000430143702 338098937 /nfs/dbraw/zinc/09/89/37/338098937.db2.gz XTVAMOXAYWGCDZ-AEFFLSMTSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)CCSCc2ccccc2)CC1 ZINC000430728840 338112498 /nfs/dbraw/zinc/11/24/98/338112498.db2.gz MQOXISXDMGGSPA-UHFFFAOYSA-N 2 0 306.519 3.724 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431602318 338134652 /nfs/dbraw/zinc/13/46/52/338134652.db2.gz FQZOFXMAPXILFP-ROUUACIJSA-N 2 0 318.530 3.975 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)C[C@@H]1C ZINC000432366517 338154152 /nfs/dbraw/zinc/15/41/52/338154152.db2.gz BEJCMXQYSITRPW-MANSERQUSA-N 2 0 310.526 3.538 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753624 338166417 /nfs/dbraw/zinc/16/64/17/338166417.db2.gz VXSNZQFDNYWXCZ-JSGCOSHPSA-N 2 0 321.465 3.740 20 0 DHADRP C[C@H](F)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433132428 338182570 /nfs/dbraw/zinc/18/25/70/338182570.db2.gz XIOCHPFEODLWBF-KRWDZBQOSA-N 2 0 304.453 3.723 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)CC1CCOCC1 ZINC000435731579 338246625 /nfs/dbraw/zinc/24/66/25/338246625.db2.gz LXCABKFHONWQGO-XLIONFOSSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)CC1CCOCC1 ZINC000435731578 338246647 /nfs/dbraw/zinc/24/66/47/338246647.db2.gz LXCABKFHONWQGO-PXNSSMCTSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436307177 338268099 /nfs/dbraw/zinc/26/80/99/338268099.db2.gz QIOOJHOHCUXMHG-APWZRJJASA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436307180 338268173 /nfs/dbraw/zinc/26/81/73/338268173.db2.gz QIOOJHOHCUXMHG-QFBILLFUSA-N 2 0 308.510 3.578 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000437765606 338320573 /nfs/dbraw/zinc/32/05/73/338320573.db2.gz RZCCDZMBUPLAOF-PMACEKPBSA-N 2 0 300.490 3.961 20 0 DHADRP CC1CC[NH+](CCC[NH2+]CCCCOc2ccccc2)CC1 ZINC000438062995 338329431 /nfs/dbraw/zinc/32/94/31/338329431.db2.gz GQKRSYCSPVNZEU-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000438100037 338331303 /nfs/dbraw/zinc/33/13/03/338331303.db2.gz YHYVESADGKAGOO-LPHOPBHVSA-N 2 0 304.453 3.880 20 0 DHADRP C[C@@H]([NH2+]CCC(C)(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000438185576 338335544 /nfs/dbraw/zinc/33/55/44/338335544.db2.gz MRBPUWJGPANDKE-OAHLLOKOSA-N 2 0 321.484 3.664 20 0 DHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000439010936 338358439 /nfs/dbraw/zinc/35/84/39/338358439.db2.gz ZFUISIBBXHPHTD-OALUTQOASA-N 2 0 323.569 3.599 20 0 DHADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc2cccnc12 ZINC000446886012 338539413 /nfs/dbraw/zinc/53/94/13/338539413.db2.gz ZNIRKJAPWWYFSG-UHFFFAOYSA-N 2 0 309.457 3.507 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000449374400 338618892 /nfs/dbraw/zinc/61/88/92/338618892.db2.gz YYNPKCBGJSPNDM-CQSZACIVSA-N 2 0 324.403 3.874 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000453082078 338791559 /nfs/dbraw/zinc/79/15/59/338791559.db2.gz MBFAJBGKUQLYBB-DZKIICNBSA-N 2 0 310.507 3.597 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000459361270 339024401 /nfs/dbraw/zinc/02/44/01/339024401.db2.gz FKRKISVHWGVYMX-RDJZCZTQSA-N 2 0 312.448 3.761 20 0 DHADRP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459424755 339028268 /nfs/dbraw/zinc/02/82/68/339028268.db2.gz JPKFXCFRVZJBKZ-FUHWJXTLSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1cccc([C@@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459438875 339029323 /nfs/dbraw/zinc/02/93/23/339029323.db2.gz SGYVZXAEIRKHJJ-KRWDZBQOSA-N 2 0 309.457 3.752 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)[C@H](C)C2 ZINC000459469391 339031056 /nfs/dbraw/zinc/03/10/56/339031056.db2.gz SENXVNNWYDNBQL-IERDGZPVSA-N 2 0 321.468 3.882 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000459723563 339044365 /nfs/dbraw/zinc/04/43/65/339044365.db2.gz ADFQPKBUVXEXFM-JTQLQIEISA-N 2 0 307.290 3.876 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000459728645 339044647 /nfs/dbraw/zinc/04/46/47/339044647.db2.gz IPYMUQYMGNOZMS-CYBMUJFWSA-N 2 0 306.837 3.908 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000459730507 339044845 /nfs/dbraw/zinc/04/48/45/339044845.db2.gz KKYVDMNHYKJTLD-CQSZACIVSA-N 2 0 300.368 3.527 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000459775162 339047813 /nfs/dbraw/zinc/04/78/13/339047813.db2.gz JJNALVFLYYEZOT-MXWWQKGMSA-N 2 0 306.881 3.908 20 0 DHADRP COc1cccc2c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cccc12 ZINC000459799069 339049185 /nfs/dbraw/zinc/04/91/85/339049185.db2.gz YGHWFAJYRYBALD-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4C[C@@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463216662 339110028 /nfs/dbraw/zinc/11/00/28/339110028.db2.gz WDXCNDATJMOYOG-MBDNFAEBSA-N 2 0 318.464 3.606 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267601 339112621 /nfs/dbraw/zinc/11/26/21/339112621.db2.gz PUXFKCQHOQJJLC-IIAWOOMASA-N 2 0 314.395 3.828 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000463542023 339120822 /nfs/dbraw/zinc/12/08/22/339120822.db2.gz IOFQMNQRHCWEEZ-NEWSRXKRSA-N 2 0 300.490 3.890 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC000464772662 339152226 /nfs/dbraw/zinc/15/22/26/339152226.db2.gz FPCOHQKUVBADAL-LJQANCHMSA-N 2 0 318.505 3.736 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@H](C)C1 ZINC000466360734 339200714 /nfs/dbraw/zinc/20/07/14/339200714.db2.gz IZULLSJOOBNSEX-URGYJCLVSA-N 2 0 306.416 3.675 20 0 DHADRP CCN(CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000467357143 339233780 /nfs/dbraw/zinc/23/37/80/339233780.db2.gz ZVESIGJMNJDZGR-CYBMUJFWSA-N 2 0 314.395 3.710 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000467372107 339234931 /nfs/dbraw/zinc/23/49/31/339234931.db2.gz ZIQSUUPFGCMJRZ-BHIYHBOVSA-N 2 0 315.505 3.738 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C(C)(C)C ZINC000467371798 339235047 /nfs/dbraw/zinc/23/50/47/339235047.db2.gz WUTPYQOWYNOUAL-MLHJIOFPSA-N 2 0 310.526 3.538 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000468870341 339273195 /nfs/dbraw/zinc/27/31/95/339273195.db2.gz GXEQTVOQBBLPBJ-KURKYZTESA-N 2 0 318.505 3.679 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000469355052 339286737 /nfs/dbraw/zinc/28/67/37/339286737.db2.gz QXPLJZSTEBZTKS-IBGZPJMESA-N 2 0 302.506 3.965 20 0 DHADRP CCc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000469776539 339299117 /nfs/dbraw/zinc/29/91/17/339299117.db2.gz RFHURGMEDPORTR-LPHOPBHVSA-N 2 0 300.490 3.992 20 0 DHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000469866143 339303160 /nfs/dbraw/zinc/30/31/60/339303160.db2.gz XKYKBGCMMLNZOO-CHWSQXEVSA-N 2 0 304.434 3.723 20 0 DHADRP Clc1ccc(SC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000469974242 339306318 /nfs/dbraw/zinc/30/63/18/339306318.db2.gz RDJPIUUHOUOGHK-AWEZNQCLSA-N 2 0 324.921 3.896 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000469992786 339307351 /nfs/dbraw/zinc/30/73/51/339307351.db2.gz QUMDBGCDQXUGSA-AWEZNQCLSA-N 2 0 318.461 3.986 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000470300300 339316664 /nfs/dbraw/zinc/31/66/64/339316664.db2.gz VDOIENFTWFIWJM-CHWSQXEVSA-N 2 0 302.384 3.566 20 0 DHADRP Cc1ccc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c(C)c1 ZINC000471020198 339334580 /nfs/dbraw/zinc/33/45/80/339334580.db2.gz SZBYGQLFSDBRKB-IBGZPJMESA-N 2 0 300.490 3.969 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCC1CC[NH+](C)CC1 ZINC000474029926 339397783 /nfs/dbraw/zinc/39/77/83/339397783.db2.gz GOAHTWPWUJNEGD-LJQANCHMSA-N 2 0 316.489 3.739 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000474057034 339399739 /nfs/dbraw/zinc/39/97/39/339399739.db2.gz VXYJYPRLOQMVMT-PXTPFGJHSA-N 2 0 322.537 3.539 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000474811244 339427520 /nfs/dbraw/zinc/42/75/20/339427520.db2.gz NXFKAMLNLDCAHC-DCCYDQLOSA-N 2 0 322.537 3.824 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000475336165 339447471 /nfs/dbraw/zinc/44/74/71/339447471.db2.gz STBZYGNDBHYZNE-LPHOPBHVSA-N 2 0 304.453 3.926 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC(C[NH+](C)C)CC1 ZINC000477043536 339485334 /nfs/dbraw/zinc/48/53/34/339485334.db2.gz COCKTNFPWJFHSG-UHFFFAOYSA-N 2 0 311.473 3.884 20 0 DHADRP Cc1cccc2c(NC3CC([NH+]4CCCCC4)C3)c(C)c[nH+]c12 ZINC000480844413 339588709 /nfs/dbraw/zinc/58/87/09/339588709.db2.gz OHFSTINAOTYCTJ-UHFFFAOYSA-N 2 0 309.457 3.702 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000481912551 339616455 /nfs/dbraw/zinc/61/64/55/339616455.db2.gz YAOAXQSTXPCJGU-SFHVURJKSA-N 2 0 302.506 3.919 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000481919078 339616722 /nfs/dbraw/zinc/61/67/22/339616722.db2.gz DHOMVTAXJQEBFT-CYBMUJFWSA-N 2 0 314.395 3.568 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCCC[NH+](C)C)cc1F ZINC000481953391 339617913 /nfs/dbraw/zinc/61/79/13/339617913.db2.gz MHONOOHGWQBKRQ-SJLPKXTDSA-N 2 0 322.468 3.792 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000483710999 339672307 /nfs/dbraw/zinc/67/23/07/339672307.db2.gz IJYKZHLMIKNNJS-KUHUBIRLSA-N 2 0 304.453 3.771 20 0 DHADRP CCC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000484307611 339684604 /nfs/dbraw/zinc/68/46/04/339684604.db2.gz LJWKUOLQOOVSHN-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H](CC[NH2+]Cc1cc2ccc(F)cc2[nH]1)[NH+]1CCCCC1 ZINC000486678773 339730928 /nfs/dbraw/zinc/73/09/28/339730928.db2.gz HLBYELLFHNHTOP-CQSZACIVSA-N 2 0 303.425 3.661 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488428826 339781566 /nfs/dbraw/zinc/78/15/66/339781566.db2.gz LOWCJGYJCAMXEM-QZTJIDSGSA-N 2 0 312.567 3.864 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)ccc1F ZINC000488471298 339784545 /nfs/dbraw/zinc/78/45/45/339784545.db2.gz VXTHJJHOZIVQBJ-DOTOQJQBSA-N 2 0 324.509 3.897 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000516561998 339926627 /nfs/dbraw/zinc/92/66/27/339926627.db2.gz FYQANHGKOWUZRS-CYBMUJFWSA-N 2 0 318.383 3.666 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)CN1C1CC1 ZINC000499671785 340042568 /nfs/dbraw/zinc/04/25/68/340042568.db2.gz QMFJKFUKQSMWOS-WCQYABFASA-N 2 0 313.272 3.751 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000500387684 340056382 /nfs/dbraw/zinc/05/63/82/340056382.db2.gz WVRYVFDIXDVMMT-KZNAEPCWSA-N 2 0 318.505 3.546 20 0 DHADRP C[C@@H](C[NH+]1CCC([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501101162 340074408 /nfs/dbraw/zinc/07/44/08/340074408.db2.gz MJLJHSZQOPMVOD-ZDUSSCGKSA-N 2 0 314.395 3.835 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000501416400 340080458 /nfs/dbraw/zinc/08/04/58/340080458.db2.gz DOWRCFNHCSSTCW-ROUUACIJSA-N 2 0 318.505 3.822 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000501476415 340081954 /nfs/dbraw/zinc/08/19/54/340081954.db2.gz LGTRIUBHSGMHGR-GOSISDBHSA-N 2 0 318.505 3.966 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000501768577 340088215 /nfs/dbraw/zinc/08/82/15/340088215.db2.gz CCYXHELZWXTQIV-UHFFFAOYSA-N 2 0 318.505 3.899 20 0 DHADRP COc1ccc(Cl)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501773061 340088263 /nfs/dbraw/zinc/08/82/63/340088263.db2.gz KLBATHOOJPKMTP-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000502480981 340105503 /nfs/dbraw/zinc/10/55/03/340105503.db2.gz JOBAOSBEHSATKZ-OALUTQOASA-N 2 0 310.526 3.539 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CCc1ccccc1 ZINC000502761684 340113158 /nfs/dbraw/zinc/11/31/58/340113158.db2.gz AXOVJAIOWKJIMP-PMACEKPBSA-N 2 0 300.490 3.958 20 0 DHADRP CC[C@H](C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000503004776 340118418 /nfs/dbraw/zinc/11/84/18/340118418.db2.gz KTQUNTGUOCBOIN-GBESFXJTSA-N 2 0 318.505 3.659 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1F ZINC000503009697 340118534 /nfs/dbraw/zinc/11/85/34/340118534.db2.gz GDRCJDCTJMACLC-RTBURBONSA-N 2 0 312.432 3.781 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1F ZINC000503009696 340118618 /nfs/dbraw/zinc/11/86/18/340118618.db2.gz GDRCJDCTJMACLC-RBUKOAKNSA-N 2 0 312.432 3.781 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000503024318 340119013 /nfs/dbraw/zinc/11/90/13/340119013.db2.gz MZZYUGCSYGZVKD-YZGWKJHDSA-N 2 0 300.490 3.748 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000503030095 340119172 /nfs/dbraw/zinc/11/91/72/340119172.db2.gz AXFCIUZEIFIRPJ-YZGWKJHDSA-N 2 0 300.490 3.892 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080266 340120519 /nfs/dbraw/zinc/12/05/19/340120519.db2.gz KABBLUCGZDZUGH-MAUKXSAKSA-N 2 0 313.445 3.646 20 0 DHADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000503885555 340135764 /nfs/dbraw/zinc/13/57/64/340135764.db2.gz LLTCTMGYZANVNA-LJQANCHMSA-N 2 0 316.489 3.708 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H](C)c1ccccc1C(F)(F)F ZINC000504926293 340156429 /nfs/dbraw/zinc/15/64/29/340156429.db2.gz HLKJGDSPYMCRGL-QWHCGFSZSA-N 2 0 302.384 3.739 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCS2 ZINC000400921705 340157744 /nfs/dbraw/zinc/15/77/44/340157744.db2.gz JXUGZZVQOQEJQB-CAVOSLQRSA-N 2 0 322.905 3.855 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400988562 340159539 /nfs/dbraw/zinc/15/95/39/340159539.db2.gz WWQZDMCCDSWXIK-DZJNRPSUSA-N 2 0 302.462 3.513 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000506866061 340203128 /nfs/dbraw/zinc/20/31/28/340203128.db2.gz HTQZNIMAGBOOES-CRAIPNDOSA-N 2 0 304.478 3.957 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)ccc2F)CC1 ZINC000507209193 340213571 /nfs/dbraw/zinc/21/35/71/340213571.db2.gz HYRVFJMJZFSWRQ-UHFFFAOYSA-N 2 0 322.468 3.778 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000507425855 340219046 /nfs/dbraw/zinc/21/90/46/340219046.db2.gz XCTZNCWRKZNJBP-MOPGFXCFSA-N 2 0 300.490 3.719 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000507470479 340221373 /nfs/dbraw/zinc/22/13/73/340221373.db2.gz MVOSFELVPIXZDZ-IAGOWNOFSA-N 2 0 303.494 3.807 20 0 DHADRP CC(C)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508722172 340251528 /nfs/dbraw/zinc/25/15/28/340251528.db2.gz RGYOKKDUMSQDDQ-PKOBYXMFSA-N 2 0 300.490 3.923 20 0 DHADRP CCOC1CC(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000509369278 340267552 /nfs/dbraw/zinc/26/75/52/340267552.db2.gz CBXDEPUVSAKFDW-KKXNLOMOSA-N 2 0 322.537 3.778 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]CCC[NH+]1CCCCC1 ZINC000509684579 340276932 /nfs/dbraw/zinc/27/69/32/340276932.db2.gz LUWKNDSAXDTXRC-SDXDJHTJSA-N 2 0 316.489 3.702 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000302832994 340283284 /nfs/dbraw/zinc/28/32/84/340283284.db2.gz YUUJTSNJUVINFU-QGZVFWFLSA-N 2 0 312.457 3.868 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)C[NH+]1CCCC1 ZINC000510674532 340306047 /nfs/dbraw/zinc/30/60/47/340306047.db2.gz ISVPXVGXXXHBOL-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510675971 340306273 /nfs/dbraw/zinc/30/62/73/340306273.db2.gz RKRZUBQOTGMFRU-WMZOPIPTSA-N 2 0 322.468 3.635 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000510752805 340309714 /nfs/dbraw/zinc/30/97/14/340309714.db2.gz NYWRGRAGPKHOJP-IEBWSBKVSA-N 2 0 322.468 3.635 20 0 DHADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000510886066 340313804 /nfs/dbraw/zinc/31/38/04/340313804.db2.gz ARVSYGONGUFKOE-FUHWJXTLSA-N 2 0 304.478 3.567 20 0 DHADRP COCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000510934380 340315447 /nfs/dbraw/zinc/31/54/47/340315447.db2.gz YLPBPVUPPXTRHX-GOSISDBHSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000511019453 340318416 /nfs/dbraw/zinc/31/84/16/340318416.db2.gz SNWABXILZKHFHZ-LSTHTHJFSA-N 2 0 322.537 3.560 20 0 DHADRP C[N@H+](CCSc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512560110 340366947 /nfs/dbraw/zinc/36/69/47/340366947.db2.gz BVCUQXQUMFEJKP-XYPWUTKMSA-N 2 0 324.921 3.989 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000513207654 340397280 /nfs/dbraw/zinc/39/72/80/340397280.db2.gz CWLXIYUYQGLDEY-MJGOQNOKSA-N 2 0 322.537 3.704 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000513335402 340403038 /nfs/dbraw/zinc/40/30/38/340403038.db2.gz OVNONIQQTPGVLJ-UXPWSPDFSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000227327911 340597965 /nfs/dbraw/zinc/59/79/65/340597965.db2.gz KRXPEAKQNKZLTI-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000124483452 340799375 /nfs/dbraw/zinc/79/93/75/340799375.db2.gz NECDOMRUSGKBBF-UHFFFAOYSA-N 2 0 323.484 3.851 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124660333 340800180 /nfs/dbraw/zinc/80/01/80/340800180.db2.gz GVUWJERDNIIYAJ-IBGZPJMESA-N 2 0 321.553 3.661 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000540087041 340914791 /nfs/dbraw/zinc/91/47/91/340914791.db2.gz UHNLQOHKTREGOV-JENIJYKNSA-N 2 0 303.494 3.941 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000069382215 340956905 /nfs/dbraw/zinc/95/69/05/340956905.db2.gz BZYUKWJWYGBCQZ-QLFBSQMISA-N 2 0 306.416 3.819 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCCCC1 ZINC000541566071 340974890 /nfs/dbraw/zinc/97/48/90/340974890.db2.gz OUYRWYOCOIZOPA-FFZOFVMBSA-N 2 0 322.537 3.703 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCCCS3)CC2)C1 ZINC000542485318 341009645 /nfs/dbraw/zinc/00/96/45/341009645.db2.gz CHRBTZBCAOERCZ-NXHRZFHOSA-N 2 0 310.551 3.905 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000542697431 341017700 /nfs/dbraw/zinc/01/77/00/341017700.db2.gz PCEWGLQGXISIES-SJLPKXTDSA-N 2 0 304.865 3.828 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000130392674 341020689 /nfs/dbraw/zinc/02/06/89/341020689.db2.gz IKAFFNUYBCDROE-ZIAGYGMSSA-N 2 0 306.416 3.819 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCc3ccccc3C2)C[C@@H]1C ZINC000542915924 341026288 /nfs/dbraw/zinc/02/62/88/341026288.db2.gz SXTPXPMFVHMCEF-QKLQHJQFSA-N 2 0 300.490 3.596 20 0 DHADRP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCC[NH+]2CCCC2)c1 ZINC000543179168 341035383 /nfs/dbraw/zinc/03/53/83/341035383.db2.gz VOKVWZRUASWJFL-VQIMIIECSA-N 2 0 302.462 3.564 20 0 DHADRP CCc1ccc(C[NH2+]Cc2cccc(C[NH+](CC)CC)c2)o1 ZINC000130789454 341044511 /nfs/dbraw/zinc/04/45/11/341044511.db2.gz FMTWGIUIYPAMES-UHFFFAOYSA-N 2 0 300.446 3.974 20 0 DHADRP CC1(C)CC([NH2+]C/C=C\c2ccc(F)cc2F)CC(C)(C)[NH2+]1 ZINC000543649236 341053027 /nfs/dbraw/zinc/05/30/27/341053027.db2.gz SXFIJMIXYIXZEG-WAYWQWQTSA-N 2 0 308.416 3.877 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]CCN1CC=C(C)CC1 ZINC000545157928 341110670 /nfs/dbraw/zinc/11/06/70/341110670.db2.gz JXPAJPULPFFELY-MRXNPFEDSA-N 2 0 304.503 3.581 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132103082 341116440 /nfs/dbraw/zinc/11/64/40/341116440.db2.gz HEWUHTJKLUMNPW-RKVPGOIHSA-N 2 0 304.453 3.566 20 0 DHADRP CN(c1ccccc1C[NH2+]C1CCCCC1)C1CC[NH+](C)CC1 ZINC000132709552 341143231 /nfs/dbraw/zinc/14/32/31/341143231.db2.gz WHTMLCYHLWFMKM-UHFFFAOYSA-N 2 0 315.505 3.639 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000237568625 341215935 /nfs/dbraw/zinc/21/59/35/341215935.db2.gz HLFYRDYLZCXTOF-OAHLLOKOSA-N 2 0 300.421 3.608 20 0 DHADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866985 341225564 /nfs/dbraw/zinc/22/55/64/341225564.db2.gz WRKRSRVYEOJGBC-LFGUQSLTSA-N 2 0 320.521 3.530 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1F ZINC000136072087 341252419 /nfs/dbraw/zinc/25/24/19/341252419.db2.gz XTNBZRHWWKYNMB-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP CCc1cc(OC)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548805526 341276500 /nfs/dbraw/zinc/27/65/00/341276500.db2.gz RVIAMBCJPZMTKW-UHFFFAOYSA-N 2 0 318.505 3.810 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000081096034 341279622 /nfs/dbraw/zinc/27/96/22/341279622.db2.gz NPGDFQOKKMPZBN-CJNGLKHVSA-N 2 0 314.395 3.868 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000549141786 341287038 /nfs/dbraw/zinc/28/70/38/341287038.db2.gz KPXOUTCHWSLNBY-KRWDZBQOSA-N 2 0 309.457 3.774 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413292 341293940 /nfs/dbraw/zinc/29/39/40/341293940.db2.gz KPGNEOHERSKUQV-YJBOKZPZSA-N 2 0 308.416 3.571 20 0 DHADRP CCc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2[nH+]1 ZINC000549524591 341296331 /nfs/dbraw/zinc/29/63/31/341296331.db2.gz XMSJNXJYMRZRDM-INIZCTEOSA-N 2 0 309.457 3.719 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CCN(c3ccnc4cc(Cl)ccc43)C2)C1 ZINC000549577127 341298154 /nfs/dbraw/zinc/29/81/54/341298154.db2.gz IDJAFGCBQWQTJX-GOSISDBHSA-N 2 0 315.848 3.810 20 0 DHADRP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C[C@H]1CCCOC1 ZINC000245692026 341309817 /nfs/dbraw/zinc/30/98/17/341309817.db2.gz BOXNDNMSRGUZOQ-LJQANCHMSA-N 2 0 318.505 3.503 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245950727 341319501 /nfs/dbraw/zinc/31/95/01/341319501.db2.gz WKVHZFLMDANNAX-ZRSRNVLSSA-N 2 0 322.537 3.538 20 0 DHADRP Cc1ccc(F)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245966972 341320285 /nfs/dbraw/zinc/32/02/85/341320285.db2.gz NMBZLEORKFZCTQ-HNAYVOBHSA-N 2 0 302.437 3.583 20 0 DHADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCCC23CCCC3)CCCO1 ZINC000550797153 341323251 /nfs/dbraw/zinc/32/32/51/341323251.db2.gz MYCVBRHICBQIQG-ROUUACIJSA-N 2 0 308.510 3.580 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc(OC)ccc3c2)[C@@H](C)C1 ZINC000246141418 341329036 /nfs/dbraw/zinc/32/90/36/341329036.db2.gz KJCYINDZPPKMQH-YWZLYKJASA-N 2 0 312.457 3.668 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)C1 ZINC000246186664 341332271 /nfs/dbraw/zinc/33/22/71/341332271.db2.gz CRCUIWAESJTBRZ-YOEHRIQHSA-N 2 0 322.880 3.794 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000551265707 341336052 /nfs/dbraw/zinc/33/60/52/341336052.db2.gz YRMTYADLXRGKKP-WZGPROSRSA-N 2 0 304.453 3.625 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000551789740 341351648 /nfs/dbraw/zinc/35/16/48/341351648.db2.gz SFFRXNYYDXKQPR-JFRXWTBNSA-N 2 0 300.490 3.921 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000246855773 341357951 /nfs/dbraw/zinc/35/79/51/341357951.db2.gz CSXDGYFHORIVTR-ZIAGYGMSSA-N 2 0 312.404 3.671 20 0 DHADRP c1ccc(SCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247005201 341359749 /nfs/dbraw/zinc/35/97/49/341359749.db2.gz XCNAOWGDBIVDQC-LPHOPBHVSA-N 2 0 316.514 3.727 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)NC[C@@H]1CC[N@H+](CC)C1 ZINC000247070047 341360634 /nfs/dbraw/zinc/36/06/34/341360634.db2.gz OEULKKFENYPPSU-KGLIPLIRSA-N 2 0 310.869 3.731 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247111200 341361035 /nfs/dbraw/zinc/36/10/35/341361035.db2.gz QPHFCBGDKGQEPW-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000552052762 341365419 /nfs/dbraw/zinc/36/54/19/341365419.db2.gz CDPRCVCHJIXDJB-XFUTXVRSSA-N 2 0 302.437 3.534 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc2n[nH]cc2c1 ZINC000552097319 341369639 /nfs/dbraw/zinc/36/96/39/341369639.db2.gz ZSVYCNKSAPFNQD-AWEZNQCLSA-N 2 0 312.461 3.621 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC000248058709 341372985 /nfs/dbraw/zinc/37/29/85/341372985.db2.gz XTHFEDAYWGBCND-PKOBYXMFSA-N 2 0 310.526 3.683 20 0 DHADRP CCCc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248137741 341373739 /nfs/dbraw/zinc/37/37/39/341373739.db2.gz PFOSPBBNMPYHMZ-XLIONFOSSA-N 2 0 318.505 3.527 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000248175407 341374499 /nfs/dbraw/zinc/37/44/99/341374499.db2.gz VMKSSOSTNRDMEM-GJYPPUQNSA-N 2 0 304.478 3.509 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)[C@@H](C)C1 ZINC000248184182 341374505 /nfs/dbraw/zinc/37/45/05/341374505.db2.gz XAGPONSYGJHOEL-WMLDXEAASA-N 2 0 306.881 3.692 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248383636 341376001 /nfs/dbraw/zinc/37/60/01/341376001.db2.gz ATIHNRGBWSUNHF-AEFFLSMTSA-N 2 0 304.453 3.565 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000248386609 341376148 /nfs/dbraw/zinc/37/61/48/341376148.db2.gz NEBGPWNETPNFTB-APWZRJJASA-N 2 0 304.453 3.707 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000552244519 341380842 /nfs/dbraw/zinc/38/08/42/341380842.db2.gz CYQDMJCSIMSUBS-OAHLLOKOSA-N 2 0 324.459 3.998 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000248684344 341384208 /nfs/dbraw/zinc/38/42/08/341384208.db2.gz FWOVWDGNDNIDMD-ZCNNSNEGSA-N 2 0 300.490 3.718 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1(C)C ZINC000248799804 341387059 /nfs/dbraw/zinc/38/70/59/341387059.db2.gz JOGHNWZRPCVBBC-ZAWLATJESA-N 2 0 322.537 3.821 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248950676 341390653 /nfs/dbraw/zinc/39/06/53/341390653.db2.gz PODOOIRZNZTELM-SWLSCSKDSA-N 2 0 300.368 3.586 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000249407372 341397173 /nfs/dbraw/zinc/39/71/73/341397173.db2.gz XBWWKOIVYQKLJZ-KFWWJZLASA-N 2 0 306.416 3.962 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000249483743 341398185 /nfs/dbraw/zinc/39/81/85/341398185.db2.gz TZHKZQHVMZUKNM-IEBWSBKVSA-N 2 0 308.510 3.532 20 0 DHADRP Fc1cccc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000552893171 341407941 /nfs/dbraw/zinc/40/79/41/341407941.db2.gz NWHNOKUTRZSDNG-UHFFFAOYSA-N 2 0 320.452 3.591 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000555611872 341486904 /nfs/dbraw/zinc/48/69/04/341486904.db2.gz FNTUGVVSLLOCOE-CABCVRRESA-N 2 0 306.416 3.963 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000556077345 341493598 /nfs/dbraw/zinc/49/35/98/341493598.db2.gz WFCFYYBQHFQBHZ-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000261766001 341506182 /nfs/dbraw/zinc/50/61/82/341506182.db2.gz WISUJBSOZIQLTA-LEWJYISDSA-N 2 0 323.484 3.763 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccn2)cc1 ZINC000564823608 341510680 /nfs/dbraw/zinc/51/06/80/341510680.db2.gz KLKZDKKLRHONFR-GRERDSQWSA-N 2 0 323.484 3.781 20 0 DHADRP c1c2ccccc2sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566009787 341545333 /nfs/dbraw/zinc/54/53/33/341545333.db2.gz LQISJXNUFKVVHF-MRXNPFEDSA-N 2 0 300.471 3.723 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000566222444 341551214 /nfs/dbraw/zinc/55/12/14/341551214.db2.gz YCKSREIXEXJHDR-UAGQMJEPSA-N 2 0 308.441 3.558 20 0 DHADRP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566242470 341551749 /nfs/dbraw/zinc/55/17/49/341551749.db2.gz SAHFDUUGLLAUOS-WFASDCNBSA-N 2 0 310.844 3.862 20 0 DHADRP Cc1ccccc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000157115643 341632794 /nfs/dbraw/zinc/63/27/94/341632794.db2.gz RVYGSZMZEVQWNF-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000576269211 341837147 /nfs/dbraw/zinc/83/71/47/341837147.db2.gz IARKCBZGRNBNTD-ZGXWSNOMSA-N 2 0 313.489 3.547 20 0 DHADRP CC(C)(C)c1nc(C[NH2+]CCCCC[NH+]2CCCC2)cs1 ZINC000576415061 341845355 /nfs/dbraw/zinc/84/53/55/341845355.db2.gz YHFVKOKZTSZFOT-UHFFFAOYSA-N 2 0 309.523 3.796 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1OC(F)F ZINC000576519272 341850402 /nfs/dbraw/zinc/85/04/02/341850402.db2.gz GDNUCGNKRRHEBP-LBPRGKRZSA-N 2 0 306.356 3.598 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580551274 341875523 /nfs/dbraw/zinc/87/55/23/341875523.db2.gz IFKCDBRBPMWPQS-CYBMUJFWSA-N 2 0 322.374 3.885 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000580638998 341890413 /nfs/dbraw/zinc/89/04/13/341890413.db2.gz FDGDMHOENWJDET-YJBOKZPZSA-N 2 0 323.912 3.584 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000577976319 341962309 /nfs/dbraw/zinc/96/23/09/341962309.db2.gz JXBHPQMBFYYEHT-GOSISDBHSA-N 2 0 310.432 3.983 20 0 DHADRP C(=C\C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)\C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000339290764 518374226 /nfs/dbraw/zinc/37/42/26/518374226.db2.gz SIOIDDLIPIIKAN-JLGNTZPISA-N 2 0 324.472 3.873 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCSc3ccc(OC)cc32)C1 ZINC000191500262 519862459 /nfs/dbraw/zinc/86/24/59/519862459.db2.gz RFISHWVKJOEDRX-WMLDXEAASA-N 2 0 320.502 3.554 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000163304431 521717957 /nfs/dbraw/zinc/71/79/57/521717957.db2.gz DKUPDOFBPFSNAW-SJLPKXTDSA-N 2 0 314.473 3.754 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129223506 521922140 /nfs/dbraw/zinc/92/21/40/521922140.db2.gz OSSFXGDTPVWWAF-CVEARBPZSA-N 2 0 314.395 3.959 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337343677 522049253 /nfs/dbraw/zinc/04/92/53/522049253.db2.gz SKSVVZVEQXXIFI-WZGPROSRSA-N 2 0 301.478 3.570 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000155911930 524916323 /nfs/dbraw/zinc/91/63/23/524916323.db2.gz VIQQNASSNNEOMA-MDZRGWNJSA-N 2 0 318.505 3.820 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000156035165 524922069 /nfs/dbraw/zinc/92/20/69/524922069.db2.gz YQSODXDOWDEFAO-FXAWDEMLSA-N 2 0 308.469 3.891 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000158178444 525265307 /nfs/dbraw/zinc/26/53/07/525265307.db2.gz OSQQCWHQQFXHRQ-ABAIWWIYSA-N 2 0 301.261 3.608 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125403894 525340484 /nfs/dbraw/zinc/34/04/84/525340484.db2.gz NTJPJSNNFDSVCE-HZPDHXFCSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)CC[N@@H+]1C ZINC000155900754 525442363 /nfs/dbraw/zinc/44/23/63/525442363.db2.gz QMFHYXPMIFDECR-CRAIPNDOSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccncc1 ZINC000336946386 525537407 /nfs/dbraw/zinc/53/74/07/525537407.db2.gz OIGJYUOUKABCDF-QGZVFWFLSA-N 2 0 309.457 3.918 20 0 DHADRP Cc1ccncc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000339416007 525743270 /nfs/dbraw/zinc/74/32/70/525743270.db2.gz YGTJJPQOXWGQMZ-TZIWHRDSSA-N 2 0 323.484 3.562 20 0 DHADRP Cc1cncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000189950352 526204647 /nfs/dbraw/zinc/20/46/47/526204647.db2.gz HBRJHMGRWHVKPR-ROUUACIJSA-N 2 0 323.484 3.636 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCCO2 ZINC000364855082 526209550 /nfs/dbraw/zinc/20/95/50/526209550.db2.gz VSEBJJUJIPTPPG-LJQANCHMSA-N 2 0 314.473 3.673 20 0 DHADRP c1nc(C2CCC2)sc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496416 526593774 /nfs/dbraw/zinc/59/37/74/526593774.db2.gz AXWRDYKUDTZORB-UHFFFAOYSA-N 2 0 307.507 3.766 20 0 DHADRP CCS[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297780690 535710783 /nfs/dbraw/zinc/71/07/83/535710783.db2.gz WFJZODFHVQYQCR-SJLPKXTDSA-N 2 0 319.518 3.704 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](CSc2ccccc2)C(C)C)C1 ZINC000180155312 1013054492 /nfs/dbraw/zinc/05/44/92/1013054492.db2.gz IUJARDMQKPOKKC-AEFFLSMTSA-N 2 0 306.519 3.735 20 0 DHADRP Clc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000037648883 1013206610 /nfs/dbraw/zinc/20/66/10/1013206610.db2.gz LXMPYIGLZVCJRH-SCLBCKFNSA-N 2 0 304.865 3.865 20 0 DHADRP Clc1cccc(C2CC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000037648923 1013207546 /nfs/dbraw/zinc/20/75/46/1013207546.db2.gz PPCYFVYVNNSQBV-KTAKPFMOSA-N 2 0 304.865 3.660 20 0 DHADRP CCC[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894384614 1013226770 /nfs/dbraw/zinc/22/67/70/1013226770.db2.gz NRVFWTOOAPFLKJ-UHFFFAOYSA-N 2 0 323.893 3.914 20 0 DHADRP c1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167965710 1013273904 /nfs/dbraw/zinc/27/39/04/1013273904.db2.gz LTKLSOWJRZHJGC-UDEWTMQYSA-N 2 0 310.485 3.539 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cc3cccc(OC)c3o2)C1 ZINC000093742067 1013318460 /nfs/dbraw/zinc/31/84/60/1013318460.db2.gz DOQNKHUKWUQWMG-HNNXBMFYSA-N 2 0 316.445 3.605 20 0 DHADRP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014390 1013335810 /nfs/dbraw/zinc/33/58/10/1013335810.db2.gz XAAYUCLSRHRBDF-KCITZHQASA-N 2 0 318.892 3.954 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000398122709 1013360323 /nfs/dbraw/zinc/36/03/23/1013360323.db2.gz HIUKNIVVMFAUCV-BHIYHBOVSA-N 2 0 318.530 3.772 20 0 DHADRP [NH3+]CCc1ccc2c(ccn2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167971541 1013390870 /nfs/dbraw/zinc/39/08/70/1013390870.db2.gz XTZQWFIXLAPGKO-YOFSQIOKSA-N 2 0 323.484 3.720 20 0 DHADRP c1ccc2c(c1)CCC([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167981896 1013467211 /nfs/dbraw/zinc/46/72/11/1013467211.db2.gz OQFVKUUAMHNFIX-FRIKZZABSA-N 2 0 324.512 3.929 20 0 DHADRP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634678869 1013523008 /nfs/dbraw/zinc/52/30/08/1013523008.db2.gz GASYSMJGCHCIFN-LJQANCHMSA-N 2 0 316.489 3.507 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CCN1CCSc1cc(Cl)ccc1Cl ZINC000124632830 1013543490 /nfs/dbraw/zinc/54/34/90/1013543490.db2.gz STYKITXNPYKWHA-ZYHUDNBSSA-N 2 0 319.301 3.897 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CCN1CCSc1cc(Cl)ccc1Cl ZINC000124633358 1013544154 /nfs/dbraw/zinc/54/41/54/1013544154.db2.gz STYKITXNPYKWHA-JQWIXIFHSA-N 2 0 319.301 3.897 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CS1 ZINC000655686004 1013639486 /nfs/dbraw/zinc/63/94/86/1013639486.db2.gz WSFVFWAWXNNCDT-YJBOKZPZSA-N 2 0 304.503 3.656 20 0 DHADRP CC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655689221 1013640292 /nfs/dbraw/zinc/64/02/92/1013640292.db2.gz YYHDCYPDELMLBX-ROUUACIJSA-N 2 0 322.880 3.634 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CS1 ZINC000655703614 1013654195 /nfs/dbraw/zinc/65/41/95/1013654195.db2.gz IZTWSENLWREUFC-PMPSAXMXSA-N 2 0 324.559 3.834 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281224 1013695931 /nfs/dbraw/zinc/69/59/31/1013695931.db2.gz PLEICSJVMVTXDF-DNVCBOLYSA-N 2 0 311.473 3.785 20 0 DHADRP C1C[C@@H](N2CCC([NH2+]C3CCC4(CCCCC4)CC3)CC2)CO1 ZINC000655758691 1013693360 /nfs/dbraw/zinc/69/33/60/1013693360.db2.gz XCRGQOMJFFQQPD-LJQANCHMSA-N 2 0 320.521 3.722 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000655806137 1013727909 /nfs/dbraw/zinc/72/79/09/1013727909.db2.gz PRQUBYLBKUSXAO-UTUOFQBUSA-N 2 0 301.261 3.984 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000655806267 1013728092 /nfs/dbraw/zinc/72/80/92/1013728092.db2.gz TWKBDFLQRAQSRV-BZPMIXESSA-N 2 0 316.367 3.576 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000655806019 1013728409 /nfs/dbraw/zinc/72/84/09/1013728409.db2.gz XAEAXFMKPQTFMT-NBMRYCAZSA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000655804984 1013724049 /nfs/dbraw/zinc/72/40/49/1013724049.db2.gz HWACUFCYRKHPJL-ZMYBRWDISA-N 2 0 302.437 3.691 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1OC(F)F ZINC000655805346 1013724223 /nfs/dbraw/zinc/72/42/23/1013724223.db2.gz GJMLOBWVJBOTJL-VNHYZAJKSA-N 2 0 312.404 3.669 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-c2ccccc2)cn1 ZINC000655803239 1013727038 /nfs/dbraw/zinc/72/70/38/1013727038.db2.gz OFEDXRYZOLIVAB-MDZRGWNJSA-N 2 0 309.457 3.739 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)c(C)c2c1 ZINC000655806195 1013727704 /nfs/dbraw/zinc/72/77/04/1013727704.db2.gz QWOYHRXJKFBBKK-SOUVJXGZSA-N 2 0 316.445 3.741 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000655805719 1013727729 /nfs/dbraw/zinc/72/77/29/1013727729.db2.gz RMFNMFYAHWJXAP-INMHGKMJSA-N 2 0 304.478 3.855 20 0 DHADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441397486 1013733565 /nfs/dbraw/zinc/73/35/65/1013733565.db2.gz WRKRSRVYEOJGBC-BWPNAZKDSA-N 2 0 320.521 3.530 20 0 DHADRP CCc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000441400177 1013734934 /nfs/dbraw/zinc/73/49/34/1013734934.db2.gz WFOHEIGLZKJBII-TZIWHRDSSA-N 2 0 312.501 3.740 20 0 DHADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000121624199 1013736634 /nfs/dbraw/zinc/73/66/34/1013736634.db2.gz JZMCXPYTNDPIAB-QFBILLFUSA-N 2 0 324.468 3.618 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000655815979 1013740380 /nfs/dbraw/zinc/74/03/80/1013740380.db2.gz LWZBAJRXQZEYBM-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP CCC1([NH+](C)C)CCN(c2cc[nH+]c3ccc(OC)cc32)CC1 ZINC000894930041 1013744377 /nfs/dbraw/zinc/74/43/77/1013744377.db2.gz QXWOORQXHKRJHY-UHFFFAOYSA-N 2 0 313.445 3.554 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000655827676 1013747086 /nfs/dbraw/zinc/74/70/86/1013747086.db2.gz XVQRDNAFIVIFEQ-GSJFWJNXSA-N 2 0 320.786 3.789 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655847820 1013773597 /nfs/dbraw/zinc/77/35/97/1013773597.db2.gz DESIXWQGWMMVKS-OALUTQOASA-N 2 0 308.510 3.721 20 0 DHADRP FC1CC2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167994437 1013780671 /nfs/dbraw/zinc/78/06/71/1013780671.db2.gz DBDWMEVTFKRBHI-HGVRWNOSSA-N 2 0 320.496 3.996 20 0 DHADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001167996023 1013809647 /nfs/dbraw/zinc/80/96/47/1013809647.db2.gz VFEXFQMZHSDIAS-SFDMMAKQSA-N 2 0 302.506 3.904 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340461660 1013819293 /nfs/dbraw/zinc/81/92/93/1013819293.db2.gz KZOFXKQIDRGMOW-QFBILLFUSA-N 2 0 304.478 3.574 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340461658 1013819360 /nfs/dbraw/zinc/81/93/60/1013819360.db2.gz KZOFXKQIDRGMOW-APWZRJJASA-N 2 0 304.478 3.574 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340461659 1013820371 /nfs/dbraw/zinc/82/03/71/1013820371.db2.gz KZOFXKQIDRGMOW-LPHOPBHVSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@]1(C)CCCO1 ZINC000340466105 1013828636 /nfs/dbraw/zinc/82/86/36/1013828636.db2.gz YIQAMOCBWFYWDK-MAUKXSAKSA-N 2 0 322.518 3.507 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnn(C2CCCC2)c1 ZINC000340476450 1013858590 /nfs/dbraw/zinc/85/85/90/1013858590.db2.gz QGSWWFDVTDSNTB-KRWDZBQOSA-N 2 0 318.509 3.915 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@]1(C)CCCO1 ZINC000340476895 1013859295 /nfs/dbraw/zinc/85/92/95/1013859295.db2.gz VAEQPYMDFPWYIO-FXAWDEMLSA-N 2 0 316.489 3.720 20 0 DHADRP Fc1cncc([C@H]([NH2+]CCCCC[NH+]2CCCC2)C2CC2)c1 ZINC000340477979 1013860365 /nfs/dbraw/zinc/86/03/65/1013860365.db2.gz PAODZKPUGIVVOR-GOSISDBHSA-N 2 0 305.441 3.528 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340480554 1013866470 /nfs/dbraw/zinc/86/64/70/1013866470.db2.gz RIUXNOGMJKSYJB-FQEVSTJZSA-N 2 0 316.489 3.928 20 0 DHADRP CC[C@@H](O)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340523542 1013914966 /nfs/dbraw/zinc/91/49/66/1013914966.db2.gz GKQIPTSOQGHVIT-SOAGJPPSSA-N 2 0 318.505 3.570 20 0 DHADRP CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000152651771 1014084017 /nfs/dbraw/zinc/08/40/17/1014084017.db2.gz UYAULKSXAORBCV-UHFFFAOYSA-N 2 0 321.553 3.638 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000119080518 1014113045 /nfs/dbraw/zinc/11/30/45/1014113045.db2.gz XMVNOPFEGXQVOY-GOSISDBHSA-N 2 0 305.510 3.744 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CF)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754462185 1014124553 /nfs/dbraw/zinc/12/45/53/1014124553.db2.gz ATOOHYMBQVFDPM-MAUKXSAKSA-N 2 0 304.453 3.899 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000564825913 1014147733 /nfs/dbraw/zinc/14/77/33/1014147733.db2.gz QNHGRNSMRHLUDR-MRXNPFEDSA-N 2 0 309.457 3.665 20 0 DHADRP C/C(=C/c1ccccc1)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000255560168 1014178824 /nfs/dbraw/zinc/17/88/24/1014178824.db2.gz MWWQMXLVKWAWBJ-SDXDJHTJSA-N 2 0 321.468 3.991 20 0 DHADRP CCc1onc(C)c1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001167424154 1014255831 /nfs/dbraw/zinc/25/58/31/1014255831.db2.gz CHIWBTFZMWTQFS-WBVHZDCISA-N 2 0 319.493 3.632 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246266791 1030351109 /nfs/dbraw/zinc/35/11/09/1030351109.db2.gz PQVOSHFXUKLWMB-AWEZNQCLSA-N 2 0 301.261 3.656 20 0 DHADRP CCc1ccccc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429577 1014281789 /nfs/dbraw/zinc/28/17/89/1014281789.db2.gz KQPHTZSALOZFNT-SFHVURJKSA-N 2 0 300.490 3.599 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580694982 1014294696 /nfs/dbraw/zinc/29/46/96/1014294696.db2.gz CACYRGFMLPTEDR-UWWQBHOKSA-N 2 0 306.881 3.908 20 0 DHADRP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(F)c2cccnc12 ZINC000580707442 1014300506 /nfs/dbraw/zinc/30/05/06/1014300506.db2.gz JAEVQEMZAJYWOT-UHFFFAOYSA-N 2 0 317.452 3.928 20 0 DHADRP Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000647992088 1014355102 /nfs/dbraw/zinc/35/51/02/1014355102.db2.gz CYPFNOCIOCYDSB-AZUAARDMSA-N 2 0 324.468 3.623 20 0 DHADRP CC(C)CCOCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441614013 1014365398 /nfs/dbraw/zinc/36/53/98/1014365398.db2.gz OYXCPLAXCVBQKA-FQEVSTJZSA-N 2 0 318.505 3.503 20 0 DHADRP CC(C)[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1nc2ccccc2[nH]1 ZINC000154381314 1014373662 /nfs/dbraw/zinc/37/36/62/1014373662.db2.gz BNKJKUNODVFNSM-KDOFPFPSSA-N 2 0 314.477 3.580 20 0 DHADRP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000580839674 1014395694 /nfs/dbraw/zinc/39/56/94/1014395694.db2.gz VVOQUZBPSORJAX-CYBMUJFWSA-N 2 0 315.486 3.599 20 0 DHADRP C[C@@H]1CC([NH2+]CCC(F)(F)F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006217 1014417105 /nfs/dbraw/zinc/41/71/05/1014417105.db2.gz MOMLZRWNLJKAQL-ZIAGYGMSSA-N 2 0 314.395 3.970 20 0 DHADRP C[C@H]1CC([NH2+][C@H]2CC[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006662 1014421476 /nfs/dbraw/zinc/42/14/76/1014421476.db2.gz NWBZDDZEFISPAK-ONIAQPFYSA-N 2 0 304.453 3.908 20 0 DHADRP COc1cc(Cl)c(CN2CCC(CC[NH3+])CC2)cc1Cl ZINC000580896753 1014429000 /nfs/dbraw/zinc/42/90/00/1014429000.db2.gz OLSCTTUGIITFMG-UHFFFAOYSA-N 2 0 317.260 3.563 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000262020127 1014433140 /nfs/dbraw/zinc/43/31/40/1014433140.db2.gz XOVUUIDICKFMTR-CYBMUJFWSA-N 2 0 319.836 3.556 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007751 1014438998 /nfs/dbraw/zinc/43/89/98/1014438998.db2.gz UHNFCDWCPMLIPK-MIFYACCESA-N 2 0 308.416 3.815 20 0 DHADRP CCSCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008106 1014444359 /nfs/dbraw/zinc/44/43/59/1014444359.db2.gz CJIBGQPVIBWMDN-HOTGVXAUSA-N 2 0 306.519 3.771 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1C(F)(F)F ZINC000623890724 1014460954 /nfs/dbraw/zinc/46/09/54/1014460954.db2.gz VEMBHDZSTKLBAS-NEPJUHHUSA-N 2 0 318.358 3.837 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000580974596 1014498270 /nfs/dbraw/zinc/49/82/70/1014498270.db2.gz CCOMGKAGHIJESA-INIZCTEOSA-N 2 0 320.452 3.533 20 0 DHADRP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665246090 1014532920 /nfs/dbraw/zinc/53/29/20/1014532920.db2.gz YSSXSCGNOZJAMA-TZIWHRDSSA-N 2 0 322.452 3.649 20 0 DHADRP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000317511792 1014598764 /nfs/dbraw/zinc/59/87/64/1014598764.db2.gz NJCHZHYGSSRIPW-HUUCEWRRSA-N 2 0 315.848 3.605 20 0 DHADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000581216094 1014616815 /nfs/dbraw/zinc/61/68/15/1014616815.db2.gz YGGCOEWXHPENEM-RTBURBONSA-N 2 0 323.569 3.741 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@@H](C)C2 ZINC000665273448 1014634464 /nfs/dbraw/zinc/63/44/64/1014634464.db2.gz XGNJQTLAODYNCQ-ZQGRQUNCSA-N 2 0 309.457 3.741 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000581257275 1014655154 /nfs/dbraw/zinc/65/51/54/1014655154.db2.gz OGEBKRHXXZGYRL-UHFFFAOYSA-N 2 0 322.443 3.921 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)c1 ZINC000665279420 1014665164 /nfs/dbraw/zinc/66/51/64/1014665164.db2.gz BYGXLUNXLRBNJA-LFAQLLQBSA-N 2 0 304.865 3.708 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)[C@@H](C)C1 ZINC000581280749 1014677313 /nfs/dbraw/zinc/67/73/13/1014677313.db2.gz YEWSABVSNPQKDZ-GTAWCEEGSA-N 2 0 322.537 3.705 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000581304616 1014694048 /nfs/dbraw/zinc/69/40/48/1014694048.db2.gz RRGGUWJGEYITFS-GOEBONIOSA-N 2 0 314.395 3.931 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001168300179 1032102530 /nfs/dbraw/zinc/10/25/30/1032102530.db2.gz QDNXAPSRHRXVJS-VMBOVVBDSA-N 2 0 307.869 3.649 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000581338587 1014720431 /nfs/dbraw/zinc/72/04/31/1014720431.db2.gz IWPBROCKENXXBM-KRWDZBQOSA-N 2 0 319.880 3.711 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(O)c1 ZINC000442795607 1014737675 /nfs/dbraw/zinc/73/76/75/1014737675.db2.gz USVMRNXWFNPTFP-VDZJLULYSA-N 2 0 304.478 3.943 20 0 DHADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000521851877 1014814715 /nfs/dbraw/zinc/81/47/15/1014814715.db2.gz OYMOLMBSBFDWPZ-UZLBHIALSA-N 2 0 316.489 3.780 20 0 DHADRP CC(C)OCCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015251 1014842059 /nfs/dbraw/zinc/84/20/59/1014842059.db2.gz QCUDCRQUTPWYJH-ROUUACIJSA-N 2 0 318.505 3.833 20 0 DHADRP Cc1cnccc1C[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000581469174 1014878777 /nfs/dbraw/zinc/87/87/77/1014878777.db2.gz GJPNWFPWZUKOMF-OAQYLSRUSA-N 2 0 323.484 3.563 20 0 DHADRP Clc1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000581607631 1015044047 /nfs/dbraw/zinc/04/40/47/1015044047.db2.gz NAWPCCRKMHPMAY-CABCVRRESA-N 2 0 316.832 3.641 20 0 DHADRP C[C@@H]1C[C@@H](n2cccc2CC[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024301 1015066268 /nfs/dbraw/zinc/06/62/68/1015066268.db2.gz DSYAKXDSISEIPK-XEMDLRDOSA-N 2 0 311.473 3.603 20 0 DHADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000443653020 1015073964 /nfs/dbraw/zinc/07/39/64/1015073964.db2.gz HBEULDRYUYXZQR-RAUXBKROSA-N 2 0 302.506 3.928 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)CCSc1ccccc1 ZINC000191511484 1015090267 /nfs/dbraw/zinc/09/02/67/1015090267.db2.gz MVWIUJZVTHRZHM-UHFFFAOYSA-N 2 0 317.502 3.950 20 0 DHADRP CCCc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000443677655 1015105385 /nfs/dbraw/zinc/10/53/85/1015105385.db2.gz YNGWZDPXMANNIG-IRXDYDNUSA-N 2 0 309.457 3.648 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1([NH3+])CCCC1 ZINC000656788787 1015162721 /nfs/dbraw/zinc/16/27/21/1015162721.db2.gz CGIXJFHWUVALCE-NSHDSACASA-N 2 0 301.261 3.786 20 0 DHADRP Cc1ccc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)ccc2n1 ZINC000656786730 1015163181 /nfs/dbraw/zinc/16/31/81/1015163181.db2.gz PXDJETAEHFFEMT-FQEVSTJZSA-N 2 0 323.484 3.755 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000684387391 1015225965 /nfs/dbraw/zinc/22/59/65/1015225965.db2.gz JDSHVOGDPNRFTR-VLOYRQLPSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)CO1 ZINC000647173806 1015238440 /nfs/dbraw/zinc/23/84/40/1015238440.db2.gz AHADKWOCAQRTOX-LPHOPBHVSA-N 2 0 316.489 3.718 20 0 DHADRP C(C[N@@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1)C1CCCC1 ZINC001279512443 1015236127 /nfs/dbraw/zinc/23/61/27/1015236127.db2.gz OHRDLIBSFHUOOG-HXUWFJFHSA-N 2 0 320.521 3.676 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000237324030 1015273487 /nfs/dbraw/zinc/27/34/87/1015273487.db2.gz BPURITZQVFDDNA-MRXNPFEDSA-N 2 0 312.457 3.792 20 0 DHADRP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)s2)c1 ZINC000581726611 1015277371 /nfs/dbraw/zinc/27/73/71/1015277371.db2.gz VEXKFILHDDAJGW-GJZGRUSLSA-N 2 0 316.445 3.596 20 0 DHADRP C[C@H]1CC(NCC2(F)CCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034480 1015344077 /nfs/dbraw/zinc/34/40/77/1015344077.db2.gz PPRIITSCGVBBAL-HOTGVXAUSA-N 2 0 304.453 3.910 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000474463719 1015379226 /nfs/dbraw/zinc/37/92/26/1015379226.db2.gz FZNAKTPYZKQONN-JKSUJKDBSA-N 2 0 322.493 3.516 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000474621178 1015497519 /nfs/dbraw/zinc/49/75/19/1015497519.db2.gz KDTAPRAUSSMNHY-WOJBJXKFSA-N 2 0 318.505 3.822 20 0 DHADRP COCCCC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000896387691 1015566939 /nfs/dbraw/zinc/56/69/39/1015566939.db2.gz HJGJPQLZPVSDEX-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP C[C@@H]1CC(N2CCOC(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041832 1015605000 /nfs/dbraw/zinc/60/50/00/1015605000.db2.gz VZGDILUZSHMTFH-IAGOWNOFSA-N 2 0 316.489 3.539 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000474812694 1015615406 /nfs/dbraw/zinc/61/54/06/1015615406.db2.gz ZQMRRLUTSANVOE-YZGWKJHDSA-N 2 0 318.505 3.692 20 0 DHADRP Cc1ccc(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000474813453 1015616578 /nfs/dbraw/zinc/61/65/78/1015616578.db2.gz CROUDWLTUGTXJS-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1F ZINC000645492562 1015624088 /nfs/dbraw/zinc/62/40/88/1015624088.db2.gz LNOVJRXHUDQPNM-HNNXBMFYSA-N 2 0 308.441 3.751 20 0 DHADRP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000639375478 1015632592 /nfs/dbraw/zinc/63/25/92/1015632592.db2.gz WIHKXXZYUDWAMZ-KRWDZBQOSA-N 2 0 314.473 3.503 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933819398 1015678143 /nfs/dbraw/zinc/67/81/43/1015678143.db2.gz PCDHMKQNYFKMKF-QGZVFWFLSA-N 2 0 309.457 3.741 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000158258239 1015679416 /nfs/dbraw/zinc/67/94/16/1015679416.db2.gz MYCPRKOLCAZQFE-QWHCGFSZSA-N 2 0 316.367 3.578 20 0 DHADRP Cc1ccncc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474880762 1015679982 /nfs/dbraw/zinc/67/99/82/1015679982.db2.gz UIIGQOQYEARZOI-QUCCMNQESA-N 2 0 323.484 3.780 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000474892828 1015691504 /nfs/dbraw/zinc/69/15/04/1015691504.db2.gz AMFPGZFXEMQHRO-UXHICEINSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCCCCCO)C1 ZINC000247561308 1015787027 /nfs/dbraw/zinc/78/70/27/1015787027.db2.gz QVXCFTGGBVMPBH-OALUTQOASA-N 2 0 310.526 3.516 20 0 DHADRP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000475046481 1015804337 /nfs/dbraw/zinc/80/43/37/1015804337.db2.gz LUBVXNITMKUWCE-UYAOXDASSA-N 2 0 322.537 3.516 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000280914699 1015809828 /nfs/dbraw/zinc/80/98/28/1015809828.db2.gz QPMKDQPITRYFGZ-YLJYHZDGSA-N 2 0 315.505 3.880 20 0 DHADRP C[NH+](C)[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000277138117 1015904003 /nfs/dbraw/zinc/90/40/03/1015904003.db2.gz IVLQBWWKMHRSFN-MRXNPFEDSA-N 2 0 315.486 3.726 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000102418871 1016141562 /nfs/dbraw/zinc/14/15/62/1016141562.db2.gz WXHYDVQINFWOSA-INIZCTEOSA-N 2 0 302.462 3.563 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1Br ZINC000342243864 1016180227 /nfs/dbraw/zinc/18/02/27/1016180227.db2.gz OUUFZZASAPJXES-HNNXBMFYSA-N 2 0 313.283 3.832 20 0 DHADRP CC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657292498 1016210780 /nfs/dbraw/zinc/21/07/80/1016210780.db2.gz OZTFQPIBAJYBJH-MRXNPFEDSA-N 2 0 306.413 3.551 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262040972 1016252859 /nfs/dbraw/zinc/25/28/59/1016252859.db2.gz PBMCNHXJVKZEJZ-UHFFFAOYSA-N 2 0 312.379 3.589 20 0 DHADRP COc1ccccc1[C@H](CC(C)C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000342308905 1016250390 /nfs/dbraw/zinc/25/03/90/1016250390.db2.gz URQFTVSKRPJFNX-WMZOPIPTSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657311426 1016295886 /nfs/dbraw/zinc/29/58/86/1016295886.db2.gz KCVLZRXZTRGUTL-HNNXBMFYSA-N 2 0 317.502 3.898 20 0 DHADRP C[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC001167534019 1016309591 /nfs/dbraw/zinc/30/95/91/1016309591.db2.gz QDRNTWLDESFZDQ-SFHVURJKSA-N 2 0 322.537 3.780 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000281295264 1016455731 /nfs/dbraw/zinc/45/57/31/1016455731.db2.gz QSMLNDJXLDLBQY-MSOLQXFVSA-N 2 0 303.494 3.736 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000346632773 1016489420 /nfs/dbraw/zinc/48/94/20/1016489420.db2.gz DWARJPVOMUMJRA-UHFFFAOYSA-N 2 0 304.434 3.725 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000346655415 1016495764 /nfs/dbraw/zinc/49/57/64/1016495764.db2.gz RNQDNXNELRHQIT-UHFFFAOYSA-N 2 0 319.474 3.533 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000171127609 1016535684 /nfs/dbraw/zinc/53/56/84/1016535684.db2.gz NDEPCRHQWNAGDT-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(Cl)oc4ccccc43)C[C@H]21 ZINC000346820436 1016564220 /nfs/dbraw/zinc/56/42/20/1016564220.db2.gz HTIVVSLGHDFMCA-UXIGCNINSA-N 2 0 304.821 3.645 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cccc4cccnc43)cc2)CC1 ZINC000629714522 1016586420 /nfs/dbraw/zinc/58/64/20/1016586420.db2.gz DOZNEVFNOJOBEZ-UHFFFAOYSA-N 2 0 317.436 3.825 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1OC ZINC000152397870 1016589914 /nfs/dbraw/zinc/58/99/14/1016589914.db2.gz BYQIEFOHXUWCAU-SUMWQHHRSA-N 2 0 322.880 3.874 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000582376077 1016641862 /nfs/dbraw/zinc/64/18/62/1016641862.db2.gz YPPAXVRKXLCMRK-CQSZACIVSA-N 2 0 310.432 3.750 20 0 DHADRP CN(Cc1cnc(-c2cccs2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347022986 1016695113 /nfs/dbraw/zinc/69/51/13/1016695113.db2.gz OYRCAONWODHKMC-FUNVUKJBSA-N 2 0 319.499 3.586 20 0 DHADRP Cc1occc1C[NH+](C)CCCC[N@@H+](C)Cc1ccoc1C ZINC000172652150 1016701948 /nfs/dbraw/zinc/70/19/48/1016701948.db2.gz GHDVGVPUMBRFIU-UHFFFAOYSA-N 2 0 304.434 3.833 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000347055878 1016709275 /nfs/dbraw/zinc/70/92/75/1016709275.db2.gz URJXRBXNEBJOQK-JTQLQIEISA-N 2 0 318.795 3.501 20 0 DHADRP CCC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347084423 1016731127 /nfs/dbraw/zinc/73/11/27/1016731127.db2.gz AGSFIOFIQSABTR-UHFFFAOYSA-N 2 0 318.358 3.809 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CC[C@H]1[NH3+] ZINC000347104006 1016742268 /nfs/dbraw/zinc/74/22/68/1016742268.db2.gz KVXGHHOBSCGAEO-BLLLJJGKSA-N 2 0 304.434 3.723 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000051692959 1016774950 /nfs/dbraw/zinc/77/49/50/1016774950.db2.gz PWZDQRXOSWXOHZ-UHFFFAOYSA-N 2 0 304.381 3.658 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc(OC)ccc3c2)[C@H](C)C1 ZINC000174628934 1016830540 /nfs/dbraw/zinc/83/05/40/1016830540.db2.gz KJCYINDZPPKMQH-QRWLVFNGSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000125272565 1016958441 /nfs/dbraw/zinc/95/84/41/1016958441.db2.gz SZSMGZYNFZUXPK-CQSZACIVSA-N 2 0 301.821 3.618 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185563652 1017014631 /nfs/dbraw/zinc/01/46/31/1017014631.db2.gz AFMXMRSFSCDLAI-ZDUSSCGKSA-N 2 0 310.869 3.818 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1(C)C ZINC000623395619 1017020129 /nfs/dbraw/zinc/02/01/29/1017020129.db2.gz RXEUSUSXGUHFDC-SFHVURJKSA-N 2 0 318.505 3.964 20 0 DHADRP COc1ccccc1C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623439704 1017047605 /nfs/dbraw/zinc/04/76/05/1017047605.db2.gz VIKQFRLJGDIPMP-QZTJIDSGSA-N 2 0 318.505 3.725 20 0 DHADRP CC(C)[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000475191473 1017054745 /nfs/dbraw/zinc/05/47/45/1017054745.db2.gz JQXLQXWFWYBRTH-AZUAARDMSA-N 2 0 318.505 3.517 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000537588457 1032167429 /nfs/dbraw/zinc/16/74/29/1032167429.db2.gz SCIZKJQAKUJHAB-OAHLLOKOSA-N 2 0 315.461 3.941 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657538014 1017230896 /nfs/dbraw/zinc/23/08/96/1017230896.db2.gz WCXLJBQRROJRPA-RTBURBONSA-N 2 0 322.537 3.682 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000294880469 1032192779 /nfs/dbraw/zinc/19/27/79/1032192779.db2.gz XNSQEMLOJGBNQH-LJQANCHMSA-N 2 0 316.489 3.720 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001168324373 1032270542 /nfs/dbraw/zinc/27/05/42/1032270542.db2.gz MXZXBFMPOWFBEX-ABHNRTSZSA-N 2 0 304.503 3.649 20 0 DHADRP Cc1ccc(OC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1C ZINC000089426251 1032342231 /nfs/dbraw/zinc/34/22/31/1032342231.db2.gz BVXGRNXUTUYTMM-GOSISDBHSA-N 2 0 316.489 3.631 20 0 DHADRP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1(N2CCCCC2)CCOCC1 ZINC000089594688 1032350932 /nfs/dbraw/zinc/35/09/32/1032350932.db2.gz NJZYCUMNLXTFQB-MOPGFXCFSA-N 2 0 320.521 3.580 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)N(C)[C@H]1CCCC[NH2+]C1 ZINC001247016854 1032361018 /nfs/dbraw/zinc/36/10/18/1032361018.db2.gz PVHWPDBOPMQRQG-WFASDCNBSA-N 2 0 311.267 3.584 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340598 1032452291 /nfs/dbraw/zinc/45/22/91/1032452291.db2.gz KJVLABJVRGVONS-WMLDXEAASA-N 2 0 322.443 3.676 20 0 DHADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)ccc1Cl ZINC000623534140 1017084614 /nfs/dbraw/zinc/08/46/14/1017084614.db2.gz ZGTQMYKYAVYQAK-UHFFFAOYSA-N 2 0 310.869 3.704 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+]CCC1CC[NH+](CC)CC1 ZINC000121801354 1032480291 /nfs/dbraw/zinc/48/02/91/1032480291.db2.gz DLHPRIBEJZMYKC-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684954376 1017091222 /nfs/dbraw/zinc/09/12/22/1017091222.db2.gz ZXCPLWSGOWFWHM-GOSISDBHSA-N 2 0 301.478 3.561 20 0 DHADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000623538547 1017098049 /nfs/dbraw/zinc/09/80/49/1017098049.db2.gz JEKXQAZMHFPVJI-DOTOQJQBSA-N 2 0 324.896 3.532 20 0 DHADRP CC(C)(C)[NH+]1CCC(N[C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000348206089 1032504069 /nfs/dbraw/zinc/50/40/69/1032504069.db2.gz KTHIOVGBUHTCQK-QGZVFWFLSA-N 2 0 324.896 3.616 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171361411 1032515483 /nfs/dbraw/zinc/51/54/83/1032515483.db2.gz XQCCMYBLXABHQD-YOEHRIQHSA-N 2 0 322.443 3.663 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000093006844 1032519087 /nfs/dbraw/zinc/51/90/87/1032519087.db2.gz QIOIMONHKUUWNC-UHFFFAOYSA-N 2 0 324.468 3.736 20 0 DHADRP C[N@@H+](Cc1cnc(-c2cccs2)s1)CC1CC[NH+](C)CC1 ZINC000093089086 1032522719 /nfs/dbraw/zinc/52/27/19/1032522719.db2.gz GBAVMAOMUBYMSJ-UHFFFAOYSA-N 2 0 321.515 3.645 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000093693173 1032552866 /nfs/dbraw/zinc/55/28/66/1032552866.db2.gz QMLUSYMAEFUHRQ-IBGZPJMESA-N 2 0 323.484 3.912 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCc3c(F)cccc3C2)cc1 ZINC001171400478 1032587315 /nfs/dbraw/zinc/58/73/15/1032587315.db2.gz FANQHIGYFKCGRP-SFHVURJKSA-N 2 0 312.432 3.534 20 0 DHADRP Cc1ccc(C(C)(C)[NH2+]Cc2cc(-n3ccnc3)cs2)cn1 ZINC000353188902 1011895394 /nfs/dbraw/zinc/89/53/94/1011895394.db2.gz PMPZORYUNDSWRD-UHFFFAOYSA-N 2 0 312.442 3.662 20 0 DHADRP COc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000424257473 1011949483 /nfs/dbraw/zinc/94/94/83/1011949483.db2.gz KLHXRXIBOVTSAL-LBPRGKRZSA-N 2 0 308.853 3.626 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(Cl)c1 ZINC000424328679 1011982107 /nfs/dbraw/zinc/98/21/07/1011982107.db2.gz FLZMGLMEEPMNLZ-ZDUSSCGKSA-N 2 0 310.869 3.874 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC000424358685 1011998649 /nfs/dbraw/zinc/99/86/49/1011998649.db2.gz XOQWRGKXSHLICY-SQIBXOBRSA-N 2 0 320.521 3.577 20 0 DHADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000424364224 1012008849 /nfs/dbraw/zinc/00/88/49/1012008849.db2.gz DCOACDYTKDOSOC-HZPDHXFCSA-N 2 0 314.395 3.888 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)C[C@@](C)(C[NH3+])C1 ZINC001171405422 1032595267 /nfs/dbraw/zinc/59/52/67/1032595267.db2.gz UTAGLTNYGUNOOM-GQIGUUNPSA-N 2 0 318.480 3.816 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@H](C(C)C)[C@H](C)C2)CC[NH+](C)CC1 ZINC000579768166 1012062429 /nfs/dbraw/zinc/06/24/29/1012062429.db2.gz FXYXMTWOFGITNM-BRWVUGGUSA-N 2 0 312.567 3.864 20 0 DHADRP Fc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1-c1cccs1 ZINC000666952215 1032602528 /nfs/dbraw/zinc/60/25/28/1032602528.db2.gz KOGNHUIYGVZNRZ-QGZVFWFLSA-N 2 0 316.445 3.786 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953703 1032602555 /nfs/dbraw/zinc/60/25/55/1032602555.db2.gz FRAOJOORYUUALG-FQEVSTJZSA-N 2 0 322.452 3.594 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953798 1032603658 /nfs/dbraw/zinc/60/36/58/1032603658.db2.gz HYVUTMIVVJGIKB-FQEVSTJZSA-N 2 0 322.452 3.594 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171413876 1032612573 /nfs/dbraw/zinc/61/25/73/1032612573.db2.gz LWVQLYZBSQYGIU-BRWVUGGUSA-N 2 0 304.453 3.663 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411410 1032613355 /nfs/dbraw/zinc/61/33/55/1032613355.db2.gz ISURFZBPDXAUFF-QGZVFWFLSA-N 2 0 318.480 3.926 20 0 DHADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171414867 1032616046 /nfs/dbraw/zinc/61/60/46/1032616046.db2.gz XEVKAXXAMNIGIN-BZSNNMDCSA-N 2 0 318.480 3.911 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000514232981 1012301690 /nfs/dbraw/zinc/30/16/90/1012301690.db2.gz SZULTAGISXQRKG-LPHOPBHVSA-N 2 0 304.478 3.810 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171412289 1032617331 /nfs/dbraw/zinc/61/73/31/1032617331.db2.gz UYPZZRDXJCVOSO-SFHVURJKSA-N 2 0 318.480 3.641 20 0 DHADRP Fc1ccccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282079854 1012370978 /nfs/dbraw/zinc/37/09/78/1012370978.db2.gz NZEZAXFERMAHGC-MRXNPFEDSA-N 2 0 313.420 3.738 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCCc2c(F)cccc2Cl)C1 ZINC000514693549 1012415304 /nfs/dbraw/zinc/41/53/04/1012415304.db2.gz QRWXPVBBSRBFOA-RDTXWAMCSA-N 2 0 324.871 3.828 20 0 DHADRP C[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001208612528 1012465057 /nfs/dbraw/zinc/46/50/57/1012465057.db2.gz BLRLYFWUGXKUKI-HNNXBMFYSA-N 2 0 314.395 3.522 20 0 DHADRP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167958698 1012468466 /nfs/dbraw/zinc/46/84/66/1012468466.db2.gz IIRIUHFNQKAOPT-AYHJJNSGSA-N 2 0 304.865 3.835 20 0 DHADRP C[N@H+](C1CC1)C1CC[NH+](CCC(C)(C)c2ccccc2)CC1 ZINC001208670634 1012525456 /nfs/dbraw/zinc/52/54/56/1012525456.db2.gz YURVFXCZVOZRMF-UHFFFAOYSA-N 2 0 300.490 3.913 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)s2)cs1 ZINC000515497941 1012639025 /nfs/dbraw/zinc/63/90/25/1012639025.db2.gz CRUIECBZDDIKPG-OLZOCXBDSA-N 2 0 321.515 3.582 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CC2 ZINC000123625043 1032652954 /nfs/dbraw/zinc/65/29/54/1032652954.db2.gz QGLAMOOHDYHPPN-HXUWFJFHSA-N 2 0 310.441 3.534 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000123592006 1032654050 /nfs/dbraw/zinc/65/40/50/1032654050.db2.gz ZAFVCZHBYQEJOV-CYBMUJFWSA-N 2 0 317.502 3.926 20 0 DHADRP CC1(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)CCCCC1 ZINC001208897782 1012778956 /nfs/dbraw/zinc/77/89/56/1012778956.db2.gz IWYWBKLHVOBCHI-UHFFFAOYSA-N 2 0 322.537 3.781 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(F)cc(F)c1 ZINC000123665799 1032655831 /nfs/dbraw/zinc/65/58/31/1032655831.db2.gz JKPWWYHLFRUYHJ-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP C[NH+](Cc1cncc(C[N@@H+](C)C2CCCC2)c1)C1CCCC1 ZINC000517216472 1012934484 /nfs/dbraw/zinc/93/44/84/1012934484.db2.gz OXURPLASQPTPGE-UHFFFAOYSA-N 2 0 301.478 3.830 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000517228201 1012937674 /nfs/dbraw/zinc/93/76/74/1012937674.db2.gz KCZVGMFXJUVXSP-LSDHHAIUSA-N 2 0 310.432 3.606 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCCC1 ZINC000425921461 1012953615 /nfs/dbraw/zinc/95/36/15/1012953615.db2.gz LPXWCAUYYLOQTE-KXBFYZLASA-N 2 0 304.478 3.714 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000517534154 1013004096 /nfs/dbraw/zinc/00/40/96/1013004096.db2.gz PVKYLVYXGPNACU-WHSGIHJSSA-N 2 0 321.468 3.744 20 0 DHADRP CC[NH+](CC)[C@H](CNc1cc[nH+]c2ccccc12)c1ccco1 ZINC000517651255 1013038232 /nfs/dbraw/zinc/03/82/32/1013038232.db2.gz AZDVOYRHWXPRTN-GOSISDBHSA-N 2 0 309.413 3.745 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000475287847 1017117793 /nfs/dbraw/zinc/11/77/93/1017117793.db2.gz PPSIGVFDAONVNL-KNQAVFIVSA-N 2 0 322.496 3.977 20 0 DHADRP C[C@H]([NH2+]CCCCOC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475312337 1017137079 /nfs/dbraw/zinc/13/70/79/1017137079.db2.gz MQSDPRIMUQMODR-DLBZAZTESA-N 2 0 310.526 3.824 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000475335357 1017150138 /nfs/dbraw/zinc/15/01/38/1017150138.db2.gz REBFUJDKQBKYJJ-OPNNQBFTSA-N 2 0 304.453 3.782 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccoc2)cc1 ZINC000178131990 1017162912 /nfs/dbraw/zinc/16/29/12/1017162912.db2.gz FHSPHIXUSYBSEY-MRXNPFEDSA-N 2 0 316.445 3.851 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171447481 1032695898 /nfs/dbraw/zinc/69/58/98/1032695898.db2.gz CWIXJCCYNVLBPK-QGZVFWFLSA-N 2 0 322.443 3.534 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C[NH3+] ZINC001172861155 1033432703 /nfs/dbraw/zinc/43/27/03/1033432703.db2.gz PSWTXDCELCKUGP-LBPRGKRZSA-N 2 0 306.812 3.659 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)CC[N@@H+]1C ZINC000180412259 1017440550 /nfs/dbraw/zinc/44/05/50/1017440550.db2.gz ULUXPIQXZLPVIH-YLJYHZDGSA-N 2 0 324.468 3.838 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000180789835 1017508943 /nfs/dbraw/zinc/50/89/43/1017508943.db2.gz VMAFWRWZYQQDPC-UHFFFAOYSA-N 2 0 320.525 3.798 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171455051 1032714814 /nfs/dbraw/zinc/71/48/14/1032714814.db2.gz ZEXPWOSYNGJOAU-PBHICJAKSA-N 2 0 324.459 3.922 20 0 DHADRP COc1ccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444622257 1017597066 /nfs/dbraw/zinc/59/70/66/1017597066.db2.gz VAXDWURMHMWMGC-UHFFFAOYSA-N 2 0 316.489 3.751 20 0 DHADRP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000624049826 1017658785 /nfs/dbraw/zinc/65/87/85/1017658785.db2.gz QTNVTWPOOBPBAW-MISYRCLQSA-N 2 0 318.505 3.692 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000624120621 1017691269 /nfs/dbraw/zinc/69/12/69/1017691269.db2.gz CNHQVSUGKCIGEN-VQIMIIECSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000624120543 1017693169 /nfs/dbraw/zinc/69/31/69/1017693169.db2.gz BLAGFXMGZIXHAM-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119835 1017693200 /nfs/dbraw/zinc/69/32/00/1017693200.db2.gz KSBCMGNVRQPEKQ-DLBZAZTESA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000624123487 1017695122 /nfs/dbraw/zinc/69/51/22/1017695122.db2.gz MZFDEAQLUNZVBT-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123458 1017695666 /nfs/dbraw/zinc/69/56/66/1017695666.db2.gz MGMPTXLGMWSGEF-KXBFYZLASA-N 2 0 316.489 3.739 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000624146276 1017701293 /nfs/dbraw/zinc/70/12/93/1017701293.db2.gz XQJMAGPCMPIYHX-UAPYVXQJSA-N 2 0 310.526 3.823 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)[C@@H](C)C1 ZINC000624146033 1017708251 /nfs/dbraw/zinc/70/82/51/1017708251.db2.gz PDDADVLSWXAOPS-CADBVGFASA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)C[C@@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000125743382 1032718212 /nfs/dbraw/zinc/71/82/12/1032718212.db2.gz PIBNOLPZSFQSNQ-PKOBYXMFSA-N 2 0 303.494 3.879 20 0 DHADRP CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1ccnc1 ZINC000181260430 1017737044 /nfs/dbraw/zinc/73/70/44/1017737044.db2.gz DNFBWXCHIGQCDH-QGZVFWFLSA-N 2 0 301.434 3.659 20 0 DHADRP CCc1cnc(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000925164289 1017758354 /nfs/dbraw/zinc/75/83/54/1017758354.db2.gz NVNRDFVZEVKKBN-CQSZACIVSA-N 2 0 317.502 3.660 20 0 DHADRP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090963934 1017839472 /nfs/dbraw/zinc/83/94/72/1017839472.db2.gz MYQUGLBMPJPVND-NSISKUIASA-N 2 0 300.490 3.957 20 0 DHADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067951 1018021332 /nfs/dbraw/zinc/02/13/32/1018021332.db2.gz SRJGCHIZJFFNKP-ILZDJORESA-N 2 0 322.537 3.682 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)CC(C)(C)CC[NH3+] ZINC001171467655 1032740428 /nfs/dbraw/zinc/74/04/28/1032740428.db2.gz ZNOCFXCYONLJIC-XJKSGUPXSA-N 2 0 324.459 3.813 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185715562 1018126170 /nfs/dbraw/zinc/12/61/70/1018126170.db2.gz IKXIDJBLSARZIB-PKOBYXMFSA-N 2 0 300.490 3.780 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)[C@H](C)C1 ZINC001171472548 1032744003 /nfs/dbraw/zinc/74/40/03/1032744003.db2.gz NXINGKMYQJHERC-AZOIQLNYSA-N 2 0 322.443 3.531 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171474337 1032744176 /nfs/dbraw/zinc/74/41/76/1032744176.db2.gz VUOCPYJWLVLHPB-WMLDXEAASA-N 2 0 322.443 3.663 20 0 DHADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261821753 1018192405 /nfs/dbraw/zinc/19/24/05/1018192405.db2.gz ARQPXKJOMBIQEX-STQMWFEESA-N 2 0 316.367 3.707 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH+]1CCC(n2ccnc2)CC1 ZINC000155188128 1018252490 /nfs/dbraw/zinc/25/24/90/1018252490.db2.gz IWMNPNMTLBVZMM-KRWDZBQOSA-N 2 0 301.821 3.861 20 0 DHADRP C[C@H](N[C@@H]1CCCc2occc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193276818 1018271272 /nfs/dbraw/zinc/27/12/72/1018271272.db2.gz JPXORLDKZXKWAU-RLFYNMQTSA-N 2 0 302.462 3.900 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@]1(C)CCCO1 ZINC000428455173 1018276780 /nfs/dbraw/zinc/27/67/80/1018276780.db2.gz SGBMEWSSQQQXRG-UGXKVIGPSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1ccnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000477171921 1032753368 /nfs/dbraw/zinc/75/33/68/1032753368.db2.gz YIQLELYOCUHCLP-KRWDZBQOSA-N 2 0 301.478 3.871 20 0 DHADRP CCCCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446891474 1018286038 /nfs/dbraw/zinc/28/60/38/1018286038.db2.gz YYHWSBDIVNXQEN-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP c1cn2c(n1)C[C@H]([NH2+][C@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000427849672 1018338847 /nfs/dbraw/zinc/33/88/47/1018338847.db2.gz FZCOKDLBDIMYOM-WOJBJXKFSA-N 2 0 323.484 3.979 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000764775403 1018372895 /nfs/dbraw/zinc/37/28/95/1018372895.db2.gz VPAGNYDGVKXHKO-JFIYKMOQSA-N 2 0 304.478 3.843 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000447570200 1018420174 /nfs/dbraw/zinc/42/01/74/1018420174.db2.gz GAEARFKRRNJIGZ-IBGZPJMESA-N 2 0 302.437 3.667 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447573293 1018422881 /nfs/dbraw/zinc/42/28/81/1018422881.db2.gz GQTIRMLETKZWBY-OAQYLSRUSA-N 2 0 324.443 3.961 20 0 DHADRP CC[N@H+](C)C[C@@H]1CCN(CCCc2c(F)cccc2Cl)C1 ZINC000447731056 1018459519 /nfs/dbraw/zinc/45/95/19/1018459519.db2.gz LTFSUDRVSLQHGD-AWEZNQCLSA-N 2 0 312.860 3.685 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000447811143 1018482001 /nfs/dbraw/zinc/48/20/01/1018482001.db2.gz CWPVSJIPJJKBTE-IAGOWNOFSA-N 2 0 310.844 3.628 20 0 DHADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000447899100 1018500310 /nfs/dbraw/zinc/50/03/10/1018500310.db2.gz QJPOEFPPHGNJLH-RDBSUJKOSA-N 2 0 306.416 3.818 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000262331247 1018512831 /nfs/dbraw/zinc/51/28/31/1018512831.db2.gz SLUFFYKVIMAXCG-GBESFXJTSA-N 2 0 300.490 3.865 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708300 1018524509 /nfs/dbraw/zinc/52/45/09/1018524509.db2.gz XHCPJORECVEIAZ-INDMIFKZSA-N 2 0 310.526 3.811 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000566572657 1018528548 /nfs/dbraw/zinc/52/85/48/1018528548.db2.gz VBOOKEBYXSSWQZ-LSDHHAIUSA-N 2 0 308.416 3.636 20 0 DHADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527349991 1018551651 /nfs/dbraw/zinc/55/16/51/1018551651.db2.gz YDIDHEXKLQCGJO-OAHLLOKOSA-N 2 0 304.478 3.714 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cccc3cccnc32)c2ccccc21 ZINC000261843411 1018562029 /nfs/dbraw/zinc/56/20/29/1018562029.db2.gz IWOYUZVTTKVOQS-OALUTQOASA-N 2 0 303.409 3.512 20 0 DHADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000583564432 1018564257 /nfs/dbraw/zinc/56/42/57/1018564257.db2.gz QDBDMGWFIGIGMN-OUUBHVDSSA-N 2 0 316.464 3.767 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000675733556 1018566596 /nfs/dbraw/zinc/56/65/96/1018566596.db2.gz AZXGNOGIUMPUGG-IFXJQAMLSA-N 2 0 304.453 3.913 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000675733760 1018568222 /nfs/dbraw/zinc/56/82/22/1018568222.db2.gz LIOJLWPPJJLOFB-AZUAARDMSA-N 2 0 300.490 3.862 20 0 DHADRP Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723094 1018576843 /nfs/dbraw/zinc/57/68/43/1018576843.db2.gz HMKAKNSCSLUSIH-KSZLIROESA-N 2 0 322.880 3.509 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000583580584 1018578058 /nfs/dbraw/zinc/57/80/58/1018578058.db2.gz ZOKOZPUPCKMBGF-SQNIBIBYSA-N 2 0 316.514 3.774 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171553665 1032775347 /nfs/dbraw/zinc/77/53/47/1032775347.db2.gz UCJUHYZRFRBYQR-MJGOQNOKSA-N 2 0 302.506 3.952 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000675818770 1018601045 /nfs/dbraw/zinc/60/10/45/1018601045.db2.gz LECJFEHBRZDYIA-FQEVSTJZSA-N 2 0 300.490 3.638 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675933874 1018631581 /nfs/dbraw/zinc/63/15/81/1018631581.db2.gz UNXMBAHLIXEQOV-DLBZAZTESA-N 2 0 318.505 3.992 20 0 DHADRP c1cc(C[NH2+]C2CCC(C3CCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657784223 1018632756 /nfs/dbraw/zinc/63/27/56/1018632756.db2.gz PKVFVWKYMKMVNW-UHFFFAOYSA-N 2 0 310.445 3.716 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000650745371 1018640957 /nfs/dbraw/zinc/64/09/57/1018640957.db2.gz FEMFLIJROQOAIC-HNNXBMFYSA-N 2 0 323.278 3.545 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000650746020 1018644375 /nfs/dbraw/zinc/64/43/75/1018644375.db2.gz UHOHNJNCWFDSAT-HNNXBMFYSA-N 2 0 300.471 3.997 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000650745904 1018645046 /nfs/dbraw/zinc/64/50/46/1018645046.db2.gz QPCUGXNNQBMICK-LJQANCHMSA-N 2 0 321.424 3.636 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1C ZINC000278396459 1018652905 /nfs/dbraw/zinc/65/29/05/1018652905.db2.gz GHKVOVNOAKVTQM-OAHLLOKOSA-N 2 0 302.462 3.529 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001171559601 1032781059 /nfs/dbraw/zinc/78/10/59/1032781059.db2.gz JOFHAMKWNDWWPO-FQEVSTJZSA-N 2 0 312.501 3.706 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000650756502 1018683669 /nfs/dbraw/zinc/68/36/69/1018683669.db2.gz BZMXTKQMPOEUGA-GOSISDBHSA-N 2 0 314.404 3.549 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1cc(C)ccc1OC ZINC000650756797 1018685389 /nfs/dbraw/zinc/68/53/89/1018685389.db2.gz KBOIMMYARNOOPU-IBGZPJMESA-N 2 0 312.457 3.964 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(OC(F)F)c1 ZINC000278435034 1018692343 /nfs/dbraw/zinc/69/23/43/1018692343.db2.gz JVYTUVOXWVHSQK-ZDUSSCGKSA-N 2 0 324.415 3.813 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000650758041 1018694574 /nfs/dbraw/zinc/69/45/74/1018694574.db2.gz HKTVTHPVFJFBJR-XOBRGWDASA-N 2 0 312.432 3.958 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000650758187 1018694745 /nfs/dbraw/zinc/69/47/45/1018694745.db2.gz KVUYSWYQRQQLET-IBGZPJMESA-N 2 0 310.441 3.718 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1cccc(Br)c1Cl ZINC000390202290 1018700371 /nfs/dbraw/zinc/70/03/71/1018700371.db2.gz BFMJBFDBQUNSPV-UHFFFAOYSA-N 2 0 319.674 3.534 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650763683 1018710824 /nfs/dbraw/zinc/71/08/24/1018710824.db2.gz GYTBLBXDJRLNPW-LBPRGKRZSA-N 2 0 300.368 3.802 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000650763674 1018711036 /nfs/dbraw/zinc/71/10/36/1018711036.db2.gz GXGHQAFMYGLFMS-ZDUSSCGKSA-N 2 0 312.404 3.637 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCC3CC[NH2+]CC3)oc21 ZINC000650763106 1018711661 /nfs/dbraw/zinc/71/16/61/1018711661.db2.gz RCUYLTIQZDHIIV-CQSZACIVSA-N 2 0 316.445 3.872 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764023 1018713419 /nfs/dbraw/zinc/71/34/19/1018713419.db2.gz ONUIPKJJIJUQKQ-ZDUSSCGKSA-N 2 0 310.869 3.779 20 0 DHADRP Clc1cccc2c1OCCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650764126 1018714652 /nfs/dbraw/zinc/71/46/52/1018714652.db2.gz QQOCKDLJNWHPQE-MRXNPFEDSA-N 2 0 308.853 3.533 20 0 DHADRP COc1cccc(CNC2CC[NH+](C3CCCCC3)CC2)c1C ZINC000657804068 1018736778 /nfs/dbraw/zinc/73/67/78/1018736778.db2.gz VUODPIYZZVYTBC-UHFFFAOYSA-N 2 0 316.489 3.890 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000676489965 1018751391 /nfs/dbraw/zinc/75/13/91/1018751391.db2.gz LKGXBQUUTGLGCV-KGLIPLIRSA-N 2 0 309.523 3.923 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C)C2 ZINC001171564147 1032784968 /nfs/dbraw/zinc/78/49/68/1032784968.db2.gz UIYLLZZLPOBBAF-QRFRQXIXSA-N 2 0 300.490 3.561 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCCO2 ZINC000278519844 1018774469 /nfs/dbraw/zinc/77/44/69/1018774469.db2.gz SFQGMYLDKPXGLK-GOSISDBHSA-N 2 0 318.436 3.503 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCO2 ZINC000278526102 1018777853 /nfs/dbraw/zinc/77/78/53/1018777853.db2.gz SXEUVBZTTLEOLQ-LJQANCHMSA-N 2 0 314.473 3.537 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CCCC1CC[NH+](C)CC1)C2 ZINC001171560376 1032781396 /nfs/dbraw/zinc/78/13/96/1032781396.db2.gz SSGAPTWBIBPBAS-IBGZPJMESA-N 2 0 300.490 3.564 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000765450146 1018791644 /nfs/dbraw/zinc/79/16/44/1018791644.db2.gz MDSADXULPSULMS-RYUDHWBXSA-N 2 0 302.434 3.992 20 0 DHADRP COc1ccc2c(NC[C@H](c3ccco3)[NH+](C)C)cc[nH+]c2c1 ZINC000765453334 1018794068 /nfs/dbraw/zinc/79/40/68/1018794068.db2.gz NUKLTAMBAFNHSR-QGZVFWFLSA-N 2 0 311.385 3.551 20 0 DHADRP C[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CC(F)F ZINC000647318658 1018834631 /nfs/dbraw/zinc/83/46/31/1018834631.db2.gz VYWZSBNMSCNRRO-ZIAGYGMSSA-N 2 0 314.420 3.569 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000584008124 1018837333 /nfs/dbraw/zinc/83/73/33/1018837333.db2.gz CWNNCDHKNHFLRM-DNVCBOLYSA-N 2 0 320.908 3.983 20 0 DHADRP Clc1ccccc1[C@@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000657818194 1018859351 /nfs/dbraw/zinc/85/93/51/1018859351.db2.gz ACKQGDJSFBFOJG-DOTOQJQBSA-N 2 0 303.837 3.853 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCS2 ZINC000278580903 1018870148 /nfs/dbraw/zinc/87/01/48/1018870148.db2.gz YDJKNKCENFSGNZ-QGZVFWFLSA-N 2 0 320.477 3.827 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1C(F)(F)F ZINC000666993924 1032793371 /nfs/dbraw/zinc/79/33/71/1032793371.db2.gz UDWJRLQXCZCDSJ-CQSZACIVSA-N 2 0 312.379 3.778 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCOc2ccc(Cl)cc2)CC1(C)C ZINC001171614311 1032801416 /nfs/dbraw/zinc/80/14/16/1032801416.db2.gz XOWILNAXJFLTQI-UHFFFAOYSA-N 2 0 324.896 3.960 20 0 DHADRP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252873176 1019023600 /nfs/dbraw/zinc/02/36/00/1019023600.db2.gz UMQKCYUGTHPHPE-DSPQJCBJSA-N 2 0 323.278 3.569 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)C1 ZINC000127368328 1019025192 /nfs/dbraw/zinc/02/51/92/1019025192.db2.gz SIYGXLHSDBMIGL-GOSISDBHSA-N 2 0 320.521 3.865 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220670 1019029041 /nfs/dbraw/zinc/02/90/41/1019029041.db2.gz PPYGCOLFFZLQHM-LRDDRELGSA-N 2 0 313.272 3.910 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCCOc2ccc(F)cc2)CC1(C)C ZINC001171620183 1032802755 /nfs/dbraw/zinc/80/27/55/1032802755.db2.gz XNNAOOXMSVIYPH-UHFFFAOYSA-N 2 0 322.468 3.836 20 0 DHADRP [NH3+]CC[C@H]1CN(c2cc[nH+]c(N3CCCCC3)c2)c2ccccc21 ZINC001168550474 1019039120 /nfs/dbraw/zinc/03/91/20/1019039120.db2.gz ULUIXNXOOUVAIK-INIZCTEOSA-N 2 0 322.456 3.656 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657839662 1019088615 /nfs/dbraw/zinc/08/86/15/1019088615.db2.gz DFARNLIAQMMNQI-HBGVWJBISA-N 2 0 312.501 3.713 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657839661 1019089582 /nfs/dbraw/zinc/08/95/82/1019089582.db2.gz DFARNLIAQMMNQI-CZAAIQMYSA-N 2 0 312.501 3.713 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccncc2s1 ZINC000657839495 1019091953 /nfs/dbraw/zinc/09/19/53/1019091953.db2.gz AEKKCEGYRUSCIS-NWANDNLSSA-N 2 0 301.459 3.574 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000708511467 1019099578 /nfs/dbraw/zinc/09/95/78/1019099578.db2.gz OGZRDASMRPATFX-QRQLOZEOSA-N 2 0 318.530 3.630 20 0 DHADRP Cc1csc([C@@H]2CCCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923324316 1019131595 /nfs/dbraw/zinc/13/15/95/1019131595.db2.gz STAQKDSJYIAIPJ-HMQMGEFJSA-N 2 0 319.518 3.899 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(C)o1 ZINC000278738120 1019135167 /nfs/dbraw/zinc/13/51/67/1019135167.db2.gz NDNIXGONMPZXLW-CYBMUJFWSA-N 2 0 304.409 3.948 20 0 DHADRP Cc1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)sc1C(C)(C)C ZINC000923383772 1019159774 /nfs/dbraw/zinc/15/97/74/1019159774.db2.gz MRSPHECEHPBTNM-ZDUSSCGKSA-N 2 0 321.534 3.713 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666996692 1032811771 /nfs/dbraw/zinc/81/17/71/1032811771.db2.gz AGQIUMUIBZZADV-AWEZNQCLSA-N 2 0 323.278 3.522 20 0 DHADRP Cc1csc([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923415329 1019184245 /nfs/dbraw/zinc/18/42/45/1019184245.db2.gz FMSGXGTZLZFITQ-WTXIUTQJSA-N 2 0 305.491 3.509 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@@H](C)C1 ZINC000624307305 1019291867 /nfs/dbraw/zinc/29/18/67/1019291867.db2.gz GWDYACNXIWNMCZ-BBRMVZONSA-N 2 0 314.395 3.611 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@@H](C)C1 ZINC000624307308 1019292236 /nfs/dbraw/zinc/29/22/36/1019292236.db2.gz GWDYACNXIWNMCZ-XJKSGUPXSA-N 2 0 314.395 3.611 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000671761669 1019305650 /nfs/dbraw/zinc/30/56/50/1019305650.db2.gz HGGGDZXAKDLBNI-UHFFFAOYSA-N 2 0 314.395 3.976 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000089511727 1019368109 /nfs/dbraw/zinc/36/81/09/1019368109.db2.gz LLRMXPREFYVNLT-UTKZUKDTSA-N 2 0 324.468 3.695 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH+]2CCC([NH3+])(CC3CC3)CC2)cc1 ZINC001171666358 1032823910 /nfs/dbraw/zinc/82/39/10/1032823910.db2.gz NIGRUJANAKLMKQ-QGZVFWFLSA-N 2 0 300.490 3.910 20 0 DHADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccnc1 ZINC000091286684 1019455432 /nfs/dbraw/zinc/45/54/32/1019455432.db2.gz XTXJKEBAJZTIMY-IBGZPJMESA-N 2 0 303.494 3.880 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)CC1(C)C ZINC000858293397 1032832134 /nfs/dbraw/zinc/83/21/34/1032832134.db2.gz DAHDGFYANIFECS-CQSZACIVSA-N 2 0 321.415 3.999 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000161654057 1019484948 /nfs/dbraw/zinc/48/49/48/1019484948.db2.gz DLZFWHAWCMAUMT-LJQANCHMSA-N 2 0 318.505 3.726 20 0 DHADRP Cc1ccoc1C[NH+](C)CCCC[N@@H+](C)Cc1occc1C ZINC000092107661 1019502691 /nfs/dbraw/zinc/50/26/91/1019502691.db2.gz PFKKCYIGMVTGLK-UHFFFAOYSA-N 2 0 304.434 3.833 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C12CCC2 ZINC000453064692 1019508081 /nfs/dbraw/zinc/50/80/81/1019508081.db2.gz UGCXHWVWJDUMBE-RBUKOAKNSA-N 2 0 316.489 3.574 20 0 DHADRP Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2[nH+]1 ZINC000019721401 1019568524 /nfs/dbraw/zinc/56/85/24/1019568524.db2.gz KSCYECQKWQOXIB-UHFFFAOYSA-N 2 0 317.436 3.865 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+][C@H]1CCN(CC3CCCC3)C1)C2 ZINC001168704502 1019619076 /nfs/dbraw/zinc/61/90/76/1019619076.db2.gz GXFFRHXXQHWWMS-DLBZAZTESA-N 2 0 318.892 3.661 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001168705048 1019625047 /nfs/dbraw/zinc/62/50/47/1019625047.db2.gz QQRSVWKUWPHTGB-MRXNPFEDSA-N 2 0 318.892 3.804 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1Cc2cccc(Cl)c2C1)CC(C)(C)CC[NH3+] ZINC001168705610 1019640953 /nfs/dbraw/zinc/64/09/53/1019640953.db2.gz VSXQYCKEMAOMKR-UKRRQHHQSA-N 2 0 308.897 3.798 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000657869913 1019648926 /nfs/dbraw/zinc/64/89/26/1019648926.db2.gz BZBQBGOVRCDRBU-CYBMUJFWSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@@H]1C[C@@H](n2ccc3c2cccc3C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171726086 1032845581 /nfs/dbraw/zinc/84/55/81/1032845581.db2.gz CLVCZWDYWXJWNB-VQIMIIECSA-N 2 0 319.452 3.936 20 0 DHADRP C[C@@H]1C[C@@H](n2ccc3cc(C[NH3+])ccc32)C[N@@H+]1Cc1ccccc1 ZINC001171726866 1032845790 /nfs/dbraw/zinc/84/57/90/1032845790.db2.gz LDANOJZPGXLLOE-OXQOHEQNSA-N 2 0 319.452 3.936 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168708318 1019759966 /nfs/dbraw/zinc/75/99/66/1019759966.db2.gz NVOXUSVBYTWCKT-DJIMGWMZSA-N 2 0 318.892 3.932 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000926582945 1019765272 /nfs/dbraw/zinc/76/52/72/1019765272.db2.gz RHXLHFASAKPYRE-VCBZYWHSSA-N 2 0 304.478 3.602 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166022243 1019767333 /nfs/dbraw/zinc/76/73/33/1019767333.db2.gz UXEZPXYHDCWWOV-YLJYHZDGSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@H](c1ccncc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000067716666 1019779170 /nfs/dbraw/zinc/77/91/70/1019779170.db2.gz VQIBOVFKCGHRNG-QGZVFWFLSA-N 2 0 301.478 3.731 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000532225952 1019788076 /nfs/dbraw/zinc/78/80/76/1019788076.db2.gz AINZTAQINFLOTG-WFASDCNBSA-N 2 0 310.894 3.808 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)c1ccccc1 ZINC000166693375 1019815519 /nfs/dbraw/zinc/81/55/19/1019815519.db2.gz NQKRSDCUZHAUKM-QRVBRYPASA-N 2 0 300.490 3.959 20 0 DHADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1=CCCCC1 ZINC000657436301 1019821291 /nfs/dbraw/zinc/82/12/91/1019821291.db2.gz JHKVGNSGVYMVAJ-UHFFFAOYSA-N 2 0 310.445 3.884 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000685455245 1019837416 /nfs/dbraw/zinc/83/74/16/1019837416.db2.gz UJEFLWPWJJYJRU-AABGKKOBSA-N 2 0 300.490 3.718 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)[C@H](C)C1 ZINC001168719389 1019959057 /nfs/dbraw/zinc/95/90/57/1019959057.db2.gz WXNVYKYQFYVNEW-XUWXXGDYSA-N 2 0 306.881 3.516 20 0 DHADRP C[N@H+](CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12)C1CC1 ZINC000359484369 1020009569 /nfs/dbraw/zinc/00/95/69/1020009569.db2.gz WFNZFGYGCIEVCX-UHFFFAOYSA-N 2 0 309.335 3.760 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657811463 1020034321 /nfs/dbraw/zinc/03/43/21/1020034321.db2.gz CLWQBZXZGBRBNX-KDOFPFPSSA-N 2 0 302.462 3.615 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489892 1020047535 /nfs/dbraw/zinc/04/75/35/1020047535.db2.gz PXIRYGFEXKUNQF-BRWVUGGUSA-N 2 0 300.471 3.667 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000643508309 1032870456 /nfs/dbraw/zinc/87/04/56/1032870456.db2.gz HKMJWEILMQLMFB-ZIAGYGMSSA-N 2 0 305.491 3.766 20 0 DHADRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])Nc1ccccc1)c1ccccc1 ZINC000069672698 1020055893 /nfs/dbraw/zinc/05/58/93/1020055893.db2.gz URALQPJBTIQAEJ-OAHLLOKOSA-N 2 0 310.445 3.752 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C(F)F ZINC000657998028 1020078419 /nfs/dbraw/zinc/07/84/19/1020078419.db2.gz IEFZYOFWGUUZAF-ZBFHGGJFSA-N 2 0 310.432 3.778 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc2cnccc2o1 ZINC000658024470 1020096591 /nfs/dbraw/zinc/09/65/91/1020096591.db2.gz VBUPVGZQXATWBF-OAHLLOKOSA-N 2 0 301.434 3.745 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000658034510 1020104667 /nfs/dbraw/zinc/10/46/67/1020104667.db2.gz GYNYSOSIQRBICL-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000922503861 1020106024 /nfs/dbraw/zinc/10/60/24/1020106024.db2.gz LGSKUJXVDZTATM-UHFFFAOYSA-N 2 0 324.472 3.517 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000922505992 1020107309 /nfs/dbraw/zinc/10/73/09/1020107309.db2.gz WKQLNDWIBFEBLN-TXQGORRRSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@@H](C)C[C@H](CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069688 1020129379 /nfs/dbraw/zinc/12/93/79/1020129379.db2.gz QLHBWBLKAIUWEQ-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccs1 ZINC000658070519 1020129449 /nfs/dbraw/zinc/12/94/49/1020129449.db2.gz WTVLSYPHUATLSF-KRWDZBQOSA-N 2 0 322.518 3.680 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731678912 1020137099 /nfs/dbraw/zinc/13/70/99/1020137099.db2.gz RVSLPPWYVOLSJE-QGZVFWFLSA-N 2 0 316.489 3.610 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC34CCC4)CC2)ccn1 ZINC000658162504 1020194781 /nfs/dbraw/zinc/19/47/81/1020194781.db2.gz DOCJAVIADXBJLI-LJQANCHMSA-N 2 0 313.489 3.606 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786276 1032884660 /nfs/dbraw/zinc/88/46/60/1032884660.db2.gz ZZGCUALZQHSIJH-INIZCTEOSA-N 2 0 304.453 3.536 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631063228 1020223307 /nfs/dbraw/zinc/22/33/07/1020223307.db2.gz IYHWTVOAOMPNKJ-UHFFFAOYSA-N 2 0 314.395 3.613 20 0 DHADRP Fc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001171784822 1032885511 /nfs/dbraw/zinc/88/55/11/1032885511.db2.gz HRASRSHRKWUSRX-GOSISDBHSA-N 2 0 316.464 3.537 20 0 DHADRP CC(C)(C)C[NH+]1CCC(C[NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786258 1032885734 /nfs/dbraw/zinc/88/57/34/1032885734.db2.gz ZMLGQJHKWVIEOX-KRWDZBQOSA-N 2 0 318.480 3.641 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCC2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786832 1032886151 /nfs/dbraw/zinc/88/61/51/1032886151.db2.gz FATOWVAYNWDZFI-KBAYOESNSA-N 2 0 316.464 3.807 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786277 1032886216 /nfs/dbraw/zinc/88/62/16/1032886216.db2.gz ZZGCUALZQHSIJH-MRXNPFEDSA-N 2 0 304.453 3.536 20 0 DHADRP Fc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001171784832 1032886436 /nfs/dbraw/zinc/88/64/36/1032886436.db2.gz ICHQWUVZQMEQCG-KRWDZBQOSA-N 2 0 316.464 3.680 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000658247904 1020255756 /nfs/dbraw/zinc/25/57/56/1020255756.db2.gz AEPZHFMFBIDTFV-IRXDYDNUSA-N 2 0 322.537 3.559 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658250133 1020256869 /nfs/dbraw/zinc/25/68/69/1020256869.db2.gz AXBXARYINCEGKN-IRXDYDNUSA-N 2 0 308.510 3.575 20 0 DHADRP COc1ccc([C@@H](NCC[C@@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000658235019 1020258219 /nfs/dbraw/zinc/25/82/19/1020258219.db2.gz CILDAGRBMVFGMK-FPOVZHCZSA-N 2 0 324.468 3.859 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658250805 1020259068 /nfs/dbraw/zinc/25/90/68/1020259068.db2.gz DBQZAYUPBDDFSY-ZWKOTPCHSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3C(C)(C)C3(F)F)CC2)C1 ZINC000658283934 1020281237 /nfs/dbraw/zinc/28/12/37/1020281237.db2.gz XHNBFWGNHLTSLW-VNQPRFMTSA-N 2 0 314.464 3.910 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCS1 ZINC000922838347 1020295561 /nfs/dbraw/zinc/29/55/61/1020295561.db2.gz LMIUBSXREIFPGM-QFHJOOASSA-N 2 0 318.530 3.913 20 0 DHADRP CCC[NH+]1CCC([NH2+]C2(c3cccc(OC)c3)CCC2)CC1 ZINC000658322607 1020301749 /nfs/dbraw/zinc/30/17/49/1020301749.db2.gz AFWJMHGUYZEHTI-UHFFFAOYSA-N 2 0 302.462 3.538 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCc2ccco2)CC1 ZINC000658326095 1020303861 /nfs/dbraw/zinc/30/38/61/1020303861.db2.gz BHNUGVLCTNZJHU-LPHOPBHVSA-N 2 0 304.478 3.845 20 0 DHADRP COc1ccc(C)cc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848127 1020308001 /nfs/dbraw/zinc/30/80/01/1020308001.db2.gz NZMGFGAYVYKIKC-UHFFFAOYSA-N 2 0 302.462 3.500 20 0 DHADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357376 1020322265 /nfs/dbraw/zinc/32/22/65/1020322265.db2.gz OEZBTZDDNQMMNC-INIZCTEOSA-N 2 0 316.489 3.776 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000658357952 1020322583 /nfs/dbraw/zinc/32/25/83/1020322583.db2.gz SGBGHCKSAIZQNU-IBGZPJMESA-N 2 0 304.453 3.988 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356322 1020322910 /nfs/dbraw/zinc/32/29/10/1020322910.db2.gz NKKKTZVBQHOLJG-CYBMUJFWSA-N 2 0 306.416 3.819 20 0 DHADRP CC(C)[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC000658357515 1020323301 /nfs/dbraw/zinc/32/33/01/1020323301.db2.gz UBAWOYSBWWIWQV-IBGZPJMESA-N 2 0 319.468 3.629 20 0 DHADRP COc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000892467547 1020390044 /nfs/dbraw/zinc/39/00/44/1020390044.db2.gz KFNDKTAWDCMJIC-UHFFFAOYSA-N 2 0 314.429 3.564 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000282415701 1020392682 /nfs/dbraw/zinc/39/26/82/1020392682.db2.gz COJNYBXGMYCRMJ-RDTXWAMCSA-N 2 0 317.452 3.560 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2o1 ZINC000347931207 1020455751 /nfs/dbraw/zinc/45/57/51/1020455751.db2.gz VCNSIGFRDUZZCJ-PKOBYXMFSA-N 2 0 310.441 3.882 20 0 DHADRP CSC1(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000347931536 1020456593 /nfs/dbraw/zinc/45/65/93/1020456593.db2.gz ZKTZUGMNESNEQB-UHFFFAOYSA-N 2 0 304.503 3.658 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959119 1032926297 /nfs/dbraw/zinc/92/62/97/1032926297.db2.gz QKLHNTMCAWAKBI-ZDUSSCGKSA-N 2 0 302.384 3.696 20 0 DHADRP CCC[N@H+](CCC[NH3+])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958594 1032926780 /nfs/dbraw/zinc/92/67/80/1032926780.db2.gz CTFMVRVPIHEXLU-CYBMUJFWSA-N 2 0 302.384 3.697 20 0 DHADRP Cc1nocc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963801 1032934144 /nfs/dbraw/zinc/93/41/44/1032934144.db2.gz JJXZWRDJAJOXOM-GOSISDBHSA-N 2 0 313.445 3.516 20 0 DHADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000766224894 1020842747 /nfs/dbraw/zinc/84/27/47/1020842747.db2.gz NASLHDHJVMHPCM-QILLFSRXSA-N 2 0 322.518 3.562 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3C[C@@H]3C)CC2)cc1 ZINC000414076406 1020856442 /nfs/dbraw/zinc/85/64/42/1020856442.db2.gz OQWFPSIWIBVKQX-YRNRMSPPSA-N 2 0 316.489 3.541 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414106424 1020894224 /nfs/dbraw/zinc/89/42/24/1020894224.db2.gz QWMCUGFMLZAAAY-AEFFLSMTSA-N 2 0 304.865 3.828 20 0 DHADRP C(=C\C[N@@H+]1CCc2ccccc2C1)\C[NH+]1CCc2ccccc2C1 ZINC000613309243 1020897087 /nfs/dbraw/zinc/89/70/87/1020897087.db2.gz SORJLPGOLPVIBD-WAYWQWQTSA-N 2 0 318.464 3.659 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414163606 1020951469 /nfs/dbraw/zinc/95/14/69/1020951469.db2.gz GOIYQBRGGLKANJ-ORAYPTAESA-N 2 0 309.388 3.887 20 0 DHADRP Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1C ZINC000414167563 1020955086 /nfs/dbraw/zinc/95/50/86/1020955086.db2.gz PLVQOYQAISOCHI-DYESRHJHSA-N 2 0 323.484 3.699 20 0 DHADRP Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000414167566 1020955893 /nfs/dbraw/zinc/95/58/93/1020955893.db2.gz PLVQOYQAISOCHI-UWJYYQICSA-N 2 0 323.484 3.699 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000613491104 1020997337 /nfs/dbraw/zinc/99/73/37/1020997337.db2.gz FTDQUCAGXHEZQE-UHFFFAOYSA-N 2 0 318.505 3.948 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CS1 ZINC000414230366 1021016337 /nfs/dbraw/zinc/01/63/37/1021016337.db2.gz NTYKINVZUXNTFF-ZTRSQXPZSA-N 2 0 318.530 3.913 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CS1 ZINC000414234061 1021017563 /nfs/dbraw/zinc/01/75/63/1021017563.db2.gz SFYAUYAFMPTRHQ-RXABAKJHSA-N 2 0 316.514 3.666 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000892588908 1021043382 /nfs/dbraw/zinc/04/33/82/1021043382.db2.gz KBGONZXOIBDQSM-UHFFFAOYSA-N 2 0 320.525 3.683 20 0 DHADRP C[C@H](C[NH+]1CCC(C)([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000647530881 1021124564 /nfs/dbraw/zinc/12/45/64/1021124564.db2.gz MXFHIBIZEOSHHP-GFCCVEGCSA-N 2 0 300.368 3.622 20 0 DHADRP C[C@@H](C[NH+]1CCC(C)([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000647530882 1021124847 /nfs/dbraw/zinc/12/48/47/1021124847.db2.gz MXFHIBIZEOSHHP-LBPRGKRZSA-N 2 0 300.368 3.622 20 0 DHADRP Clc1cc(Cl)cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549734 1021157173 /nfs/dbraw/zinc/15/71/73/1021157173.db2.gz OOJWWNYNJTYLLB-WOSRLPQWSA-N 2 0 313.272 3.514 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000250895206 1021195538 /nfs/dbraw/zinc/19/55/38/1021195538.db2.gz ITKDTERLKZVPGH-RCBQFDQVSA-N 2 0 323.278 3.727 20 0 DHADRP C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(C(F)(F)F)c1 ZINC000924650014 1032967535 /nfs/dbraw/zinc/96/75/35/1032967535.db2.gz PMGPOLLTPAHPQR-MNOVXSKESA-N 2 0 318.408 3.902 20 0 DHADRP FC(F)(F)CCC[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001202394846 1021248026 /nfs/dbraw/zinc/24/80/26/1021248026.db2.gz KBVGZYPODGNLSK-UHFFFAOYSA-N 2 0 304.400 3.669 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091333188 1021277814 /nfs/dbraw/zinc/27/78/14/1021277814.db2.gz SLRDJGXRSRCHQK-IBGZPJMESA-N 2 0 304.478 3.714 20 0 DHADRP C[C@H]([NH3+])c1ccn([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982716 1032965197 /nfs/dbraw/zinc/96/51/97/1032965197.db2.gz KGZUSGYBEAFFMO-DOTOQJQBSA-N 2 0 312.461 3.519 20 0 DHADRP C[C@H]([NH3+])c1ccn([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982720 1032965733 /nfs/dbraw/zinc/96/57/33/1032965733.db2.gz KGZUSGYBEAFFMO-RDJZCZTQSA-N 2 0 312.461 3.519 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000924586386 1021304118 /nfs/dbraw/zinc/30/41/18/1021304118.db2.gz JFQYPQUAIGETHJ-SFHVURJKSA-N 2 0 323.484 3.788 20 0 DHADRP COc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000128654661 1021310856 /nfs/dbraw/zinc/31/08/56/1021310856.db2.gz DBICTHQDONLDCL-INIZCTEOSA-N 2 0 321.424 3.774 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000537971863 1032969841 /nfs/dbraw/zinc/96/98/41/1032969841.db2.gz KGRUCHWEDOFWMD-LNLFQRSKSA-N 2 0 318.505 3.843 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000337404359 1032970384 /nfs/dbraw/zinc/97/03/84/1032970384.db2.gz RLLWYJUNVZMDLP-IBGZPJMESA-N 2 0 316.489 3.830 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000092043144 1021329528 /nfs/dbraw/zinc/32/95/28/1021329528.db2.gz SNNBDPBSWPCSTA-FPOVZHCZSA-N 2 0 324.468 3.765 20 0 DHADRP C[C@H]([NH3+])c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172074196 1032981762 /nfs/dbraw/zinc/98/17/62/1032981762.db2.gz VHMMSUZGIQDIIK-KANFNMMFSA-N 2 0 324.472 3.661 20 0 DHADRP C([NH2+]C1CCCCCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000850344345 1021480665 /nfs/dbraw/zinc/48/06/65/1021480665.db2.gz GHZSGVPQQZPCQI-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000589836669 1021502220 /nfs/dbraw/zinc/50/22/20/1021502220.db2.gz OSKBJJHRWVNMEE-OAHLLOKOSA-N 2 0 324.896 3.950 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121824 1021504701 /nfs/dbraw/zinc/50/47/01/1021504701.db2.gz DMVCFXJECYQMRS-WOJBJXKFSA-N 2 0 318.505 3.549 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1SCCS1 ZINC000850401570 1021511865 /nfs/dbraw/zinc/51/18/65/1021511865.db2.gz LRMGZNNIPDVQQC-UHFFFAOYSA-N 2 0 324.559 3.540 20 0 DHADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000556094550 1021521697 /nfs/dbraw/zinc/52/16/97/1021521697.db2.gz VZSQNRYXEZSEGO-IEBWSBKVSA-N 2 0 320.521 3.580 20 0 DHADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000850422683 1021524171 /nfs/dbraw/zinc/52/41/71/1021524171.db2.gz ZSMPQHXZLUYWSN-AWEZNQCLSA-N 2 0 316.489 3.971 20 0 DHADRP FCC1(CF)CC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000850430500 1021528180 /nfs/dbraw/zinc/52/81/80/1021528180.db2.gz LNQVAKJNPCHQLI-UHFFFAOYSA-N 2 0 314.464 3.709 20 0 DHADRP C[C@H](CSCCF)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850430520 1021529457 /nfs/dbraw/zinc/52/94/57/1021529457.db2.gz MABGRKKVDDVZIV-OAHLLOKOSA-N 2 0 316.530 3.712 20 0 DHADRP C[C@H]1CCCC[NH+]1Cc1cncc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000556192478 1021599306 /nfs/dbraw/zinc/59/93/06/1021599306.db2.gz BLONXECEVCZRGF-IRXDYDNUSA-N 2 0 301.478 3.830 20 0 DHADRP CC(C)COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000552635987 1033466685 /nfs/dbraw/zinc/46/66/85/1033466685.db2.gz ABHMMGQFTVDNTC-GOSISDBHSA-N 2 0 304.478 3.541 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000556258570 1021640669 /nfs/dbraw/zinc/64/06/69/1021640669.db2.gz BFOSBVKHTYZTIQ-BZSNNMDCSA-N 2 0 310.526 3.539 20 0 DHADRP Cc1cc(F)ncc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000892936988 1021697794 /nfs/dbraw/zinc/69/77/94/1021697794.db2.gz ORXNOOGCTSMDHR-UHFFFAOYSA-N 2 0 307.457 3.665 20 0 DHADRP FC1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068263 1032997406 /nfs/dbraw/zinc/99/74/06/1032997406.db2.gz PWZWMCWJJSYSCT-QHPSASCESA-N 2 0 302.437 3.662 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000892948244 1021718757 /nfs/dbraw/zinc/71/87/57/1021718757.db2.gz OUSJSPSFOOOFQO-OAQYLSRUSA-N 2 0 324.468 3.716 20 0 DHADRP C[NH2+]CCc1cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001172129892 1032998989 /nfs/dbraw/zinc/99/89/89/1032998989.db2.gz MCFHTPTUEYGYKK-PIIMJCKOSA-N 2 0 311.473 3.591 20 0 DHADRP CSC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CCC1 ZINC000556475444 1021732106 /nfs/dbraw/zinc/73/21/06/1021732106.db2.gz VPEUWEHZYZEFRR-IAGOWNOFSA-N 2 0 310.551 3.859 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC001172105920 1033007265 /nfs/dbraw/zinc/00/72/65/1033007265.db2.gz LDZGBOVGJNCQKU-NNZMDNLPSA-N 2 0 314.473 3.505 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](CC(C(C)C)C(C)C)CC1 ZINC000556599027 1021787837 /nfs/dbraw/zinc/78/78/37/1021787837.db2.gz VZAFMEGDNMPWPE-UHFFFAOYSA-N 2 0 312.542 3.737 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCOc1ccc(Cl)cc1)C2 ZINC001172102021 1033003939 /nfs/dbraw/zinc/00/39/39/1033003939.db2.gz JMRPMKULJLTKKZ-OSYLJGHBSA-N 2 0 322.880 3.714 20 0 DHADRP Cc1ccccc1CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172108960 1033009869 /nfs/dbraw/zinc/00/98/69/1033009869.db2.gz AVCFAHJSBXPUIY-ACDBMABISA-N 2 0 312.501 3.923 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1cccc(F)c1)C2 ZINC001172111278 1033010689 /nfs/dbraw/zinc/01/06/89/1033010689.db2.gz PLDZLGGHVRKCNR-REPLKXPHSA-N 2 0 318.480 3.999 20 0 DHADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109532 1033012375 /nfs/dbraw/zinc/01/23/75/1033012375.db2.gz DYIZKAAZVWIHHV-HWHMVJPJSA-N 3 0 321.553 3.620 20 0 DHADRP CC(C)(C[NH+]1CCC[NH2+]CCC1)Sc1ccc(Cl)cc1 ZINC001236240957 1021897224 /nfs/dbraw/zinc/89/72/24/1021897224.db2.gz VOABYLHQAJPZPR-UHFFFAOYSA-N 2 0 312.910 3.896 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000556869616 1021911924 /nfs/dbraw/zinc/91/19/24/1021911924.db2.gz AHPKAUNCGNXVIB-IPMKNSEASA-N 2 0 300.490 3.735 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000556877916 1021921489 /nfs/dbraw/zinc/92/14/89/1021921489.db2.gz HXKCTBSYOPUISB-ZDNSCYFHSA-N 2 0 316.464 3.924 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000556877915 1021922953 /nfs/dbraw/zinc/92/29/53/1021922953.db2.gz HXKCTBSYOPUISB-VRCPBSEVSA-N 2 0 316.464 3.924 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000262358163 1021928767 /nfs/dbraw/zinc/92/87/67/1021928767.db2.gz WCBCWHFJCVPDQW-UHFFFAOYSA-N 2 0 318.358 3.666 20 0 DHADRP CCCCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000155147686 1021992281 /nfs/dbraw/zinc/99/22/81/1021992281.db2.gz NOSNQRQCIIVTAB-QUCCMNQESA-N 2 0 317.521 3.534 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192615418 1022014624 /nfs/dbraw/zinc/01/46/24/1022014624.db2.gz VSUAOTHMTXIHLL-VQIMIIECSA-N 2 0 301.478 3.788 20 0 DHADRP COc1c(C)cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1C ZINC000920176706 1022073853 /nfs/dbraw/zinc/07/38/53/1022073853.db2.gz YBMVZPKIFRXZRI-UHFFFAOYSA-N 2 0 304.478 3.524 20 0 DHADRP CC1(C)C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C[C@@H]([NH3+])C1 ZINC000925519128 1022098128 /nfs/dbraw/zinc/09/81/28/1022098128.db2.gz HNJJEZOTOUOGNG-MJGOQNOKSA-N 2 0 321.553 3.527 20 0 DHADRP COc1ccc([C@H]2CCC[N@@H+]2CCCCCCC[NH3+])cc1F ZINC000852755723 1022171054 /nfs/dbraw/zinc/17/10/54/1022171054.db2.gz BHPASKHFIHMCQB-QGZVFWFLSA-N 2 0 308.441 3.880 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169058177 1022234886 /nfs/dbraw/zinc/23/48/86/1022234886.db2.gz DIVOAHDFZBZIIS-HXUWFJFHSA-N 2 0 302.506 3.965 20 0 DHADRP CCCCOCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390951355 1022245694 /nfs/dbraw/zinc/24/56/94/1022245694.db2.gz WSRBHLSUZYJUJO-LJQANCHMSA-N 2 0 318.505 3.693 20 0 DHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169085912 1022252787 /nfs/dbraw/zinc/25/27/87/1022252787.db2.gz PTRACXHFMDAWHY-HBMCJLEFSA-N 2 0 314.517 3.917 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3ccccc3F)CC1)C2 ZINC001169140327 1022261683 /nfs/dbraw/zinc/26/16/83/1022261683.db2.gz JCJSEVZZWOVAFC-FVQHAEBGSA-N 2 0 302.437 3.630 20 0 DHADRP CC1(C)C[C@H](Nc2cccc3c2CC[C@@H]3[NH3+])C[C@](C)(C[NH3+])C1 ZINC001169150026 1022280638 /nfs/dbraw/zinc/28/06/38/1022280638.db2.gz ABTNGVMZNUCXMA-AXHNFQJDSA-N 2 0 301.478 3.588 20 0 DHADRP CC[NH+]1CCC([NH2+]C/C(=C/F)CCc2ccc(F)cc2)CC1 ZINC001169230077 1022312424 /nfs/dbraw/zinc/31/24/24/1022312424.db2.gz NPZZPUGLVLEFPO-DTQAZKPQSA-N 2 0 308.416 3.686 20 0 DHADRP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000154701751 1022329620 /nfs/dbraw/zinc/32/96/20/1022329620.db2.gz BXSHORLYCHLLKC-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368528415 1022338244 /nfs/dbraw/zinc/33/82/44/1022338244.db2.gz QEQDPQWKVPCQDM-QFBILLFUSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000154860300 1022338697 /nfs/dbraw/zinc/33/86/97/1022338697.db2.gz DUJJDLHCHOLDEK-MBOZVWFJSA-N 2 0 318.505 3.582 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000660008162 1022339055 /nfs/dbraw/zinc/33/90/55/1022339055.db2.gz UHMFMRMECHWQJN-QGZVFWFLSA-N 2 0 315.505 3.745 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)sc2C)[C@@H](C)C1 ZINC001169553846 1022447674 /nfs/dbraw/zinc/44/76/74/1022447674.db2.gz FNIUVBBGWDXUFA-KBXCAEBGSA-N 2 0 324.534 3.592 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C12CCC2 ZINC000538394083 1033051772 /nfs/dbraw/zinc/05/17/72/1033051772.db2.gz NAPWHDGPJJAJCJ-MOPGFXCFSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(C)C ZINC000538394682 1033052135 /nfs/dbraw/zinc/05/21/35/1033052135.db2.gz KDCCUUPGCXIZRT-RTBURBONSA-N 2 0 322.537 3.823 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000671105761 1022511543 /nfs/dbraw/zinc/51/15/43/1022511543.db2.gz OFUNHSUVKNFZHM-QGZVFWFLSA-N 2 0 318.505 3.966 20 0 DHADRP c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)CS2 ZINC001172200584 1033060142 /nfs/dbraw/zinc/06/01/42/1033060142.db2.gz LGJSMAKLTSSVQD-GOSISDBHSA-N 2 0 316.514 3.558 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172200738 1033060480 /nfs/dbraw/zinc/06/04/80/1033060480.db2.gz KMNQHQDZUOSHAQ-WBVHZDCISA-N 2 0 304.503 3.544 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235497 1033064555 /nfs/dbraw/zinc/06/45/55/1033064555.db2.gz UOEJCKISBOPTRT-LJRDSGNISA-N 2 0 318.505 3.625 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCO2 ZINC000157853770 1022580747 /nfs/dbraw/zinc/58/07/47/1022580747.db2.gz CPWYBXDFBRGMNR-CVEARBPZSA-N 2 0 318.461 3.721 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1OC ZINC000158124091 1022604504 /nfs/dbraw/zinc/60/45/04/1022604504.db2.gz BJQMHVIENMWCLG-XJKSGUPXSA-N 2 0 310.869 3.731 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000158139846 1022607389 /nfs/dbraw/zinc/60/73/89/1022607389.db2.gz OEZWYXASHHCNIG-JKSUJKDBSA-N 2 0 312.457 3.841 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000158212417 1022615667 /nfs/dbraw/zinc/61/56/67/1022615667.db2.gz HHAQVXGJAZNWJM-UKRRQHHQSA-N 2 0 312.404 3.671 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000236854383 1022616796 /nfs/dbraw/zinc/61/67/96/1022616796.db2.gz NBCDJPBTQZKUGK-UHFFFAOYSA-N 2 0 305.510 3.746 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158588857 1022645760 /nfs/dbraw/zinc/64/57/60/1022645760.db2.gz HHWYAMZVUOGJNC-ZBFHGGJFSA-N 2 0 312.379 3.622 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)CC(C)C ZINC000417328596 1022680905 /nfs/dbraw/zinc/68/09/05/1022680905.db2.gz CLPSYVNUUVMGKD-QRQLOZEOSA-N 2 0 310.526 3.680 20 0 DHADRP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)C ZINC000417383197 1022717648 /nfs/dbraw/zinc/71/76/48/1022717648.db2.gz WXBFVACBPCEGPZ-SXLOBPIMSA-N 2 0 318.505 3.548 20 0 DHADRP Cc1[nH+]c2c(n1C/C=C/Cn1c(C)[nH+]c3c1CCCC3)CCCC2 ZINC000584793271 1022748695 /nfs/dbraw/zinc/74/86/95/1022748695.db2.gz RPLWLWAVKOAZFR-BQYQJAHWSA-N 2 0 324.472 3.710 20 0 DHADRP C[NH+]1CCC(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)CC1 ZINC000893309713 1022760804 /nfs/dbraw/zinc/76/08/04/1022760804.db2.gz GJXANIXRHNXZES-UHFFFAOYSA-N 2 0 309.457 3.599 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000132917798 1033082157 /nfs/dbraw/zinc/08/21/57/1033082157.db2.gz IFWKFQNYSSRTFR-SJORKVTESA-N 2 0 316.489 3.579 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001172320131 1033083935 /nfs/dbraw/zinc/08/39/35/1033083935.db2.gz VIUHVZOHWFWTSR-JENIJYKNSA-N 2 0 306.494 3.863 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172326844 1033090268 /nfs/dbraw/zinc/09/02/68/1033090268.db2.gz BJXHQQAHAIAOQJ-QZTJIDSGSA-N 2 0 318.505 3.616 20 0 DHADRP C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001169986791 1022905452 /nfs/dbraw/zinc/90/54/52/1022905452.db2.gz ZLIQTAZDWAPDTE-KRWDZBQOSA-N 2 0 316.489 3.672 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000414922519 1022910983 /nfs/dbraw/zinc/91/09/83/1022910983.db2.gz HEVGUCDXICYNIK-XYQBIQKZSA-N 2 0 302.462 3.581 20 0 DHADRP Cc1ccc(C[N@H+]([C@H]2COC(C)(C)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172282382 1033091525 /nfs/dbraw/zinc/09/15/25/1033091525.db2.gz SSAMMODGPXERCK-GUDVDZBRSA-N 2 0 316.489 3.634 20 0 DHADRP c1[nH]nc2c1[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)CCC2 ZINC000353447518 1022958652 /nfs/dbraw/zinc/95/86/52/1022958652.db2.gz MRTIIOUWBFRSRQ-LJQANCHMSA-N 2 0 324.472 3.563 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000164834113 1022962785 /nfs/dbraw/zinc/96/27/85/1022962785.db2.gz HZPPMCVVZCYIJQ-WBMJQRKESA-N 2 0 312.860 3.687 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C12CCC2 ZINC000925654551 1022972142 /nfs/dbraw/zinc/97/21/42/1022972142.db2.gz FTADDZLVIPULQF-GYMHETDLSA-N 2 0 308.828 3.527 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000165337867 1022979782 /nfs/dbraw/zinc/97/97/82/1022979782.db2.gz VWNGQQAMWKZPHU-PKOBYXMFSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(OC(F)F)c1 ZINC000295919221 1023003072 /nfs/dbraw/zinc/00/30/72/1023003072.db2.gz JVJHVDIJNJORHV-JZIBPQBNSA-N 2 0 310.388 3.564 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622043802 1023004900 /nfs/dbraw/zinc/00/49/00/1023004900.db2.gz MMSGDFLWJYJWMP-LSDHHAIUSA-N 2 0 312.379 3.944 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043713 1023005241 /nfs/dbraw/zinc/00/52/41/1023005241.db2.gz IMMMMPBZFJDTDT-NWDGAFQWSA-N 2 0 300.368 3.800 20 0 DHADRP FC(F)C1CC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000768667231 1023005667 /nfs/dbraw/zinc/00/56/67/1023005667.db2.gz HYPUXKFEVZPADR-UHFFFAOYSA-N 2 0 308.416 3.806 20 0 DHADRP CCCc1nc(C)c(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000925671653 1023065280 /nfs/dbraw/zinc/06/52/80/1023065280.db2.gz DYSQGNXVVDOIOU-INIZCTEOSA-N 2 0 301.434 3.505 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000398043744 1023067654 /nfs/dbraw/zinc/06/76/54/1023067654.db2.gz QNVGXPISMYGWGF-JXFKEZNVSA-N 2 0 312.432 3.826 20 0 DHADRP COC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCCC1 ZINC000783248652 1023085271 /nfs/dbraw/zinc/08/52/71/1023085271.db2.gz NUPLYASGDIHVGZ-CTWPCTMYSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)CCCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000193460019 1023104628 /nfs/dbraw/zinc/10/46/28/1023104628.db2.gz OBRQNXCBUKMBOS-GOSISDBHSA-N 2 0 320.477 3.573 20 0 DHADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172381230 1033115103 /nfs/dbraw/zinc/11/51/03/1033115103.db2.gz YUZSCDBXTROVCV-HSALFYBXSA-N 2 0 323.569 3.551 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000769870598 1023235511 /nfs/dbraw/zinc/23/55/11/1023235511.db2.gz ARPYWVKZAGBZPH-LSDHHAIUSA-N 2 0 307.482 3.851 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000194836694 1023326131 /nfs/dbraw/zinc/32/61/31/1023326131.db2.gz LOYIQZBMAFQUBC-HXUWFJFHSA-N 2 0 324.468 3.924 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccccc1 ZINC000925715950 1023376487 /nfs/dbraw/zinc/37/64/87/1023376487.db2.gz LEEVESOVZFSMSF-MRXNPFEDSA-N 2 0 323.362 3.670 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651679362 1023453755 /nfs/dbraw/zinc/45/37/55/1023453755.db2.gz YKBJCFQYCSSCMC-IYBDPMFKSA-N 2 0 315.461 3.676 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc3cnccc3o2)c1 ZINC000651681749 1023458315 /nfs/dbraw/zinc/45/83/15/1023458315.db2.gz ZYAKNQHPTUDCHO-UHFFFAOYSA-N 2 0 323.440 3.959 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000662729966 1023518155 /nfs/dbraw/zinc/51/81/55/1023518155.db2.gz YBGHYGGOOJTUIA-OALUTQOASA-N 2 0 304.453 3.734 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001172361459 1033141846 /nfs/dbraw/zinc/14/18/46/1033141846.db2.gz WZROAQDFQVBQMH-NUJGCVRESA-N 2 0 304.478 3.541 20 0 DHADRP FCC[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661688665 1023687437 /nfs/dbraw/zinc/68/74/37/1023687437.db2.gz JRMYNGVEPJJESO-QHNPVBQMSA-N 2 0 314.464 3.686 20 0 DHADRP COc1cccc([C@]2(C)CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000661707876 1023698306 /nfs/dbraw/zinc/69/83/06/1023698306.db2.gz AHAIKEMSDJBZFK-AZUAARDMSA-N 2 0 316.489 3.533 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000652222029 1023708588 /nfs/dbraw/zinc/70/85/88/1023708588.db2.gz CYGOLXNFVHBRDZ-UYAOXDASSA-N 2 0 318.505 3.722 20 0 DHADRP Cc1nc(F)ccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000787082705 1023753819 /nfs/dbraw/zinc/75/38/19/1023753819.db2.gz GEMQJXXZZDHPOQ-UHFFFAOYSA-N 2 0 319.468 3.617 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925731500 1023780599 /nfs/dbraw/zinc/78/05/99/1023780599.db2.gz SXHGGXMRUSEILX-KGYLQXTDSA-N 2 0 315.383 3.657 20 0 DHADRP C[C@H]1C[C@H]1c1ccc(C[N@H+](CC2CC[NH+](C)CC2)C2CC2)o1 ZINC000788470550 1023890139 /nfs/dbraw/zinc/89/01/39/1023890139.db2.gz KEGAGMVSLQDSPW-KBXCAEBGSA-N 2 0 302.462 3.709 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788498307 1023895061 /nfs/dbraw/zinc/89/50/61/1023895061.db2.gz NCZGHDIMWKMAAP-ZFWWWQNUSA-N 2 0 309.885 3.822 20 0 DHADRP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC001170088418 1023925800 /nfs/dbraw/zinc/92/58/00/1023925800.db2.gz SAZKJLZXFQSLDT-IBGZPJMESA-N 2 0 311.558 3.551 20 0 DHADRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC001170088699 1023927579 /nfs/dbraw/zinc/92/75/79/1023927579.db2.gz YCJHICADSVOAOH-PKOBYXMFSA-N 2 0 310.526 3.776 20 0 DHADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000876896696 1033178134 /nfs/dbraw/zinc/17/81/34/1033178134.db2.gz LBABJRKZKRGXSM-MRUHUIDDSA-N 2 0 318.442 3.564 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C)c(OC)c2)c1 ZINC000194292943 1023996398 /nfs/dbraw/zinc/99/63/98/1023996398.db2.gz GXGNTOUSNZLEBS-UHFFFAOYSA-N 2 0 312.457 3.745 20 0 DHADRP C[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000194540887 1024006181 /nfs/dbraw/zinc/00/61/81/1024006181.db2.gz UNACOCKYVVZSSP-KRWDZBQOSA-N 2 0 309.457 3.691 20 0 DHADRP c1ccc([C@@H]2CSCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248847 1024028513 /nfs/dbraw/zinc/02/85/13/1024028513.db2.gz KXAAOWZAGYJRFZ-FQEVSTJZSA-N 2 0 324.493 3.622 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000531143266 1024034565 /nfs/dbraw/zinc/03/45/65/1024034565.db2.gz IPVUTLFOLXRWJO-IBGZPJMESA-N 2 0 304.453 3.865 20 0 DHADRP C[N@H+](CC1=CCSC1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000662267049 1024044355 /nfs/dbraw/zinc/04/43/55/1024044355.db2.gz QGWIVEZSOVBTFM-UHFFFAOYSA-N 2 0 316.514 3.778 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001172399641 1033183772 /nfs/dbraw/zinc/18/37/72/1033183772.db2.gz KMBLLJQUNSOCLW-KRWDZBQOSA-N 2 0 304.478 3.770 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)o3)CC[C@@H]21 ZINC000538797943 1033184333 /nfs/dbraw/zinc/18/43/33/1033184333.db2.gz GKXRVBPAJQJWKU-MJGOQNOKSA-N 2 0 310.441 3.863 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H]2CCCC23CCCCC3)cc1 ZINC000662294925 1024078812 /nfs/dbraw/zinc/07/88/12/1024078812.db2.gz HKLASGIVMGNGMX-HKUYNNGSSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000876933793 1033186086 /nfs/dbraw/zinc/18/60/86/1033186086.db2.gz ZITREZWDPNFQOO-AWEZNQCLSA-N 2 0 309.885 3.524 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nc(Cl)cs1 ZINC000876933030 1033186579 /nfs/dbraw/zinc/18/65/79/1033186579.db2.gz CKXQWQHCWSIDSQ-LBPRGKRZSA-N 2 0 301.887 3.541 20 0 DHADRP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001170119799 1024165856 /nfs/dbraw/zinc/16/58/56/1024165856.db2.gz CRUUXLFDKXGRFM-WMLDXEAASA-N 2 0 306.881 3.864 20 0 DHADRP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001170120469 1024169551 /nfs/dbraw/zinc/16/95/51/1024169551.db2.gz HLOZYEUZFVHQED-WMLDXEAASA-N 2 0 306.881 3.864 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663343928 1024172562 /nfs/dbraw/zinc/17/25/62/1024172562.db2.gz KAUJNSKAAWYNGI-YKUAXSNGSA-N 2 0 320.427 3.690 20 0 DHADRP Cc1nccn1CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000268848207 1024176236 /nfs/dbraw/zinc/17/62/36/1024176236.db2.gz JILFXFIHIXMFAO-HNNXBMFYSA-N 2 0 305.422 3.547 20 0 DHADRP CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(OC(F)F)cc1 ZINC000268845941 1024177788 /nfs/dbraw/zinc/17/77/88/1024177788.db2.gz VGLLDPJJCCXHGB-DOMZBBRYSA-N 2 0 309.360 3.614 20 0 DHADRP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663346334 1024181767 /nfs/dbraw/zinc/18/17/67/1024181767.db2.gz KIEBLFKQLBJVQB-QGZVFWFLSA-N 2 0 304.503 3.620 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000925766718 1024185463 /nfs/dbraw/zinc/18/54/63/1024185463.db2.gz LLSQEFMFADDSLZ-OXJNMPFZSA-N 2 0 311.473 3.767 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000531549300 1024212492 /nfs/dbraw/zinc/21/24/92/1024212492.db2.gz TZELDFRDADGQGZ-UHFFFAOYSA-N 2 0 319.424 3.519 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790052529 1024212916 /nfs/dbraw/zinc/21/29/16/1024212916.db2.gz GMZJJXFAUAVFGY-IEBWSBKVSA-N 2 0 300.490 3.674 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000269044163 1024229540 /nfs/dbraw/zinc/22/95/40/1024229540.db2.gz URYUCFUACNHBMF-HOTGVXAUSA-N 2 0 316.489 3.794 20 0 DHADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCN(C)C1CCCCC1 ZINC000876984186 1033196220 /nfs/dbraw/zinc/19/62/20/1033196220.db2.gz CTTSTMIEOGCRRS-QVKFZJNVSA-N 2 0 318.442 3.564 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC[P@](C)(=O)OCC)CC1 ZINC000876976069 1033197962 /nfs/dbraw/zinc/19/79/62/1033197962.db2.gz MTBQUCIRXGZOKC-YCRPNKLZSA-N 2 0 318.442 3.564 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000453068341 1024298088 /nfs/dbraw/zinc/29/80/88/1024298088.db2.gz YJTFJVLDQINMBU-OALUTQOASA-N 2 0 317.521 3.895 20 0 DHADRP C[C@H](C[NH2+][C@H](C)CCCc1cccnc1)C[NH+]1CCCCC1 ZINC000453061232 1024310001 /nfs/dbraw/zinc/31/00/01/1024310001.db2.gz NLRWXGGBBGBAPD-QZTJIDSGSA-N 2 0 303.494 3.504 20 0 DHADRP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)OC1 ZINC000883243372 1024312395 /nfs/dbraw/zinc/31/23/95/1024312395.db2.gz JKDFKVJOAUWSIS-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682594 1024312393 /nfs/dbraw/zinc/31/23/93/1024312393.db2.gz SKSARVAQRQTKHS-QRQLOZEOSA-N 2 0 324.553 3.806 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453075441 1024316243 /nfs/dbraw/zinc/31/62/43/1024316243.db2.gz FLYGTHPMHWAIPN-QGZVFWFLSA-N 2 0 303.494 3.647 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883256200 1024325315 /nfs/dbraw/zinc/32/53/15/1024325315.db2.gz QHJBFPCDIKISQV-WBVHZDCISA-N 2 0 322.443 3.922 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000453108164 1024336385 /nfs/dbraw/zinc/33/63/85/1024336385.db2.gz NNXMDWYAQPIYOK-GHTZIAJQSA-N 2 0 312.501 3.719 20 0 DHADRP c1cncc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CCC2)c1 ZINC000663463557 1024396004 /nfs/dbraw/zinc/39/60/04/1024396004.db2.gz ADCFOOBGFLQORG-PXNSSMCTSA-N 2 0 313.489 3.634 20 0 DHADRP CC1CCC(O)(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000663464046 1024399128 /nfs/dbraw/zinc/39/91/28/1024399128.db2.gz IERNLZPMIMGCLC-HECZYDGTSA-N 2 0 322.537 3.560 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663465820 1024401926 /nfs/dbraw/zinc/40/19/26/1024401926.db2.gz LPQNXOFHZOAXDT-FUHWJXTLSA-N 2 0 316.489 3.776 20 0 DHADRP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000663467365 1024408960 /nfs/dbraw/zinc/40/89/60/1024408960.db2.gz FCGIQCHGJGWFPM-OXJNMPFZSA-N 2 0 316.464 3.988 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000663468595 1024415763 /nfs/dbraw/zinc/41/57/63/1024415763.db2.gz MKFNLFJBQHHDRA-PXNSSMCTSA-N 2 0 316.489 3.858 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663467725 1024416015 /nfs/dbraw/zinc/41/60/15/1024416015.db2.gz HLCJVLIUPHBLQC-MLGOLLRUSA-N 2 0 307.507 3.533 20 0 DHADRP C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663471139 1024417528 /nfs/dbraw/zinc/41/75/28/1024417528.db2.gz WZGKBZXXDPRWLB-HIFRSBDPSA-N 2 0 308.416 3.737 20 0 DHADRP Fc1ccc(F)c2c1CC[C@@H]2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468210 1024417619 /nfs/dbraw/zinc/41/76/19/1024417619.db2.gz KJFHOVOCPDTEOW-KSSFIOAISA-N 2 0 320.427 3.664 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663469918 1024421879 /nfs/dbraw/zinc/42/18/79/1024421879.db2.gz RRGXWWQDROTOGU-GOEBONIOSA-N 2 0 320.452 3.607 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663469882 1024422615 /nfs/dbraw/zinc/42/26/15/1024422615.db2.gz RLCOGGYOKUZJSJ-BBRMVZONSA-N 2 0 321.534 3.787 20 0 DHADRP CN(C)c1cc[nH+]cc1CNc1ccc(C[NH+]2CCCCC2)cc1 ZINC000883403957 1024430080 /nfs/dbraw/zinc/43/00/80/1024430080.db2.gz KBAKMSMVNXERPL-UHFFFAOYSA-N 2 0 324.472 3.746 20 0 DHADRP c1ccc([C@@H]2CSCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000883460575 1024438496 /nfs/dbraw/zinc/43/84/96/1024438496.db2.gz ANZKTNIGMDYERC-WMZOPIPTSA-N 2 0 304.503 3.556 20 0 DHADRP c1ccc([C@@H]2CSCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000883460572 1024438878 /nfs/dbraw/zinc/43/88/78/1024438878.db2.gz ANZKTNIGMDYERC-AEFFLSMTSA-N 2 0 304.503 3.556 20 0 DHADRP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000663476611 1024439568 /nfs/dbraw/zinc/43/95/68/1024439568.db2.gz HDCOGNFDEDACEY-YJBOKZPZSA-N 2 0 306.469 3.956 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000303398593 1024461399 /nfs/dbraw/zinc/46/13/99/1024461399.db2.gz FDQIDVXRYMBQKS-VQIMIIECSA-N 2 0 310.441 3.577 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000643456647 1024470119 /nfs/dbraw/zinc/47/01/19/1024470119.db2.gz RCQPUWGZFZQJTD-IRXDYDNUSA-N 2 0 320.358 3.982 20 0 DHADRP Cc1cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)ccc1F ZINC000453336770 1024470524 /nfs/dbraw/zinc/47/05/24/1024470524.db2.gz FMORYVKYRLXLLB-PHSGOXPASA-N 2 0 302.437 3.800 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2(Cc3ccc(F)cc3)CC2)CC1 ZINC000453348746 1024475017 /nfs/dbraw/zinc/47/50/17/1024475017.db2.gz LHXXNEQYHADWGS-UHFFFAOYSA-N 2 0 304.453 3.753 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000663502936 1024490608 /nfs/dbraw/zinc/49/06/08/1024490608.db2.gz JFUTURBERVYENJ-SWLSCSKDSA-N 2 0 302.384 3.772 20 0 DHADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000453375891 1024494674 /nfs/dbraw/zinc/49/46/74/1024494674.db2.gz ULYYHCLQTAOVDF-DYESRHJHSA-N 2 0 323.484 3.699 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C1CC1 ZINC000453401118 1024499660 /nfs/dbraw/zinc/49/96/60/1024499660.db2.gz MQMBLMVLTQNXIW-FXAWDEMLSA-N 2 0 316.489 3.618 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCCO2 ZINC000453410799 1024506593 /nfs/dbraw/zinc/50/65/93/1024506593.db2.gz VGODKDIRFCDKTP-LJQANCHMSA-N 2 0 316.489 3.981 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000453395883 1024512252 /nfs/dbraw/zinc/51/22/52/1024512252.db2.gz IDAFSJFLNBGDCU-FUHWJXTLSA-N 2 0 301.478 3.572 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453395327 1024512867 /nfs/dbraw/zinc/51/28/67/1024512867.db2.gz HSXNRHNJCNJWMH-HZPDHXFCSA-N 2 0 304.478 3.651 20 0 DHADRP CC1(C)C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000453428288 1024520347 /nfs/dbraw/zinc/52/03/47/1024520347.db2.gz PQVYCHXEBMVXCJ-MRXNPFEDSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000271544600 1024536478 /nfs/dbraw/zinc/53/64/78/1024536478.db2.gz UVBVSQTYDVFPOA-AAEUAGOBSA-N 2 0 323.893 3.565 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cccc(-c2ccccn2)c1)C1CC1 ZINC000453597110 1024537521 /nfs/dbraw/zinc/53/75/21/1024537521.db2.gz NBLFSKIXLNUTOS-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc12 ZINC000643534049 1024539466 /nfs/dbraw/zinc/53/94/66/1024539466.db2.gz KFKRMQLJLKUQBQ-IFXJQAMLSA-N 2 0 310.441 3.641 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000453604272 1024551048 /nfs/dbraw/zinc/55/10/48/1024551048.db2.gz YQEBHHDFERZVTR-UHFFFAOYSA-N 2 0 301.261 3.957 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001167833493 1024567279 /nfs/dbraw/zinc/56/72/79/1024567279.db2.gz CAGJAHMYECEZTF-HKUYNNGSSA-N 2 0 316.489 3.702 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001167833449 1024568160 /nfs/dbraw/zinc/56/81/60/1024568160.db2.gz BKAWZZMDVQFJSG-CQSZACIVSA-N 2 0 310.432 3.833 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000532192801 1024572538 /nfs/dbraw/zinc/57/25/38/1024572538.db2.gz QTNRAQLVRPFBKS-GPMSIDNRSA-N 2 0 318.480 3.956 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000532192695 1024572930 /nfs/dbraw/zinc/57/29/30/1024572930.db2.gz BJEPFWJGJOVRRJ-BRWVUGGUSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCCC1 ZINC000390895879 1024617075 /nfs/dbraw/zinc/61/70/75/1024617075.db2.gz PLFGIAIYWMBDCU-HNAYVOBHSA-N 2 0 311.473 3.867 20 0 DHADRP Cc1occc1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648431632 1024630560 /nfs/dbraw/zinc/63/05/60/1024630560.db2.gz OVBAKNBOINQROT-INIZCTEOSA-N 2 0 312.457 3.773 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000666086351 1024679940 /nfs/dbraw/zinc/67/99/40/1024679940.db2.gz DHDGSRWRHKQKPE-INIZCTEOSA-N 2 0 318.892 3.804 20 0 DHADRP CC[C@@H]1C[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170191524 1024687058 /nfs/dbraw/zinc/68/70/58/1024687058.db2.gz IHGORXOYSJTNKB-NXWXRZEISA-N 2 0 308.510 3.849 20 0 DHADRP CC[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001170198522 1024697997 /nfs/dbraw/zinc/69/79/97/1024697997.db2.gz XOBITIMZVHDEJW-IAGOWNOFSA-N 2 0 322.880 3.547 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCSc2ccccc21)C[NH+]1CCCCC1 ZINC000038041686 1024716887 /nfs/dbraw/zinc/71/68/87/1024716887.db2.gz VKRICGSCJLXRIS-RDJZCZTQSA-N 2 0 304.503 3.935 20 0 DHADRP COc1cccc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000121813450 1024762596 /nfs/dbraw/zinc/76/25/96/1024762596.db2.gz CLMPHWCAKUIKSI-LJQANCHMSA-N 2 0 316.489 3.578 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000350144159 1024793283 /nfs/dbraw/zinc/79/32/83/1024793283.db2.gz BVIXWOIQKXPQRI-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000350515701 1024823632 /nfs/dbraw/zinc/82/36/32/1024823632.db2.gz TUWZSNKCXYKPHF-TZIWHRDSSA-N 2 0 323.484 3.562 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000796698414 1024833305 /nfs/dbraw/zinc/83/33/05/1024833305.db2.gz XVVVYGUIWYHWPH-UONOGXRCSA-N 2 0 322.880 3.792 20 0 DHADRP CCCCCC[C@H](CCCC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001172513568 1033241100 /nfs/dbraw/zinc/24/11/00/1033241100.db2.gz NUWROBFDMMCYOU-IBGZPJMESA-N 2 0 311.558 3.695 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172551041 1033244681 /nfs/dbraw/zinc/24/46/81/1033244681.db2.gz DIOAQXASSWCBDW-UXHICEINSA-N 2 0 300.490 3.986 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352557117 1024925874 /nfs/dbraw/zinc/92/58/74/1024925874.db2.gz JTXCVPMZORIRMP-UHFFFAOYSA-N 2 0 318.505 3.963 20 0 DHADRP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134900913 1033252753 /nfs/dbraw/zinc/25/27/53/1033252753.db2.gz XKHIJLYVLPNQFG-XLIONFOSSA-N 2 0 321.468 3.684 20 0 DHADRP CC(C)CCOc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000320163560 1025010312 /nfs/dbraw/zinc/01/03/12/1025010312.db2.gz YAOUAVHZBMGGQQ-PMACEKPBSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC1(F)F ZINC000666444819 1025070740 /nfs/dbraw/zinc/07/07/40/1025070740.db2.gz JYXATLVOYJPUBI-YOEHRIQHSA-N 2 0 308.416 3.806 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)cc1 ZINC000539087033 1033265445 /nfs/dbraw/zinc/26/54/45/1033265445.db2.gz PUHSVSCOZDAJAA-HRAATJIYSA-N 2 0 324.468 3.792 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655751386 1025193612 /nfs/dbraw/zinc/19/36/12/1025193612.db2.gz BLKSMHQQCUYYGC-JFRXWTBNSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1 ZINC000112518427 1025247881 /nfs/dbraw/zinc/24/78/81/1025247881.db2.gz MVFWVPRXARTNOF-QGZVFWFLSA-N 2 0 309.457 3.918 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000353849434 1025269671 /nfs/dbraw/zinc/26/96/71/1025269671.db2.gz YLXPQNVSAJVJTE-JCYILVPMSA-N 2 0 320.477 3.617 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000151553666 1025285363 /nfs/dbraw/zinc/28/53/63/1025285363.db2.gz LYXOWNKVMHWLBW-DBVUQKKJSA-N 2 0 300.490 3.718 20 0 DHADRP Cc1ccc(CCC[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000353933043 1025297332 /nfs/dbraw/zinc/29/73/32/1025297332.db2.gz UPBSTPLKIGMDKZ-HDICACEKSA-N 2 0 317.521 3.670 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC000171127119 1025299473 /nfs/dbraw/zinc/29/94/73/1025299473.db2.gz WKCUWDWAZTVFMM-INIZCTEOSA-N 2 0 316.445 3.769 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000539094273 1033275919 /nfs/dbraw/zinc/27/59/19/1033275919.db2.gz UYHAINYUUPABIO-ACJLOTCBSA-N 2 0 304.453 3.912 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000563217375 1025315272 /nfs/dbraw/zinc/31/52/72/1025315272.db2.gz PXZWJQLXBDCKIL-YZGWKJHDSA-N 2 0 322.537 3.514 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000236797223 1025322272 /nfs/dbraw/zinc/32/22/72/1025322272.db2.gz MLDIDLJCZLWVBW-ZWKOTPCHSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000124364462 1025334771 /nfs/dbraw/zinc/33/47/71/1025334771.db2.gz MJUMKVCHDUGLRD-STQMWFEESA-N 2 0 312.379 3.840 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCCCO2)CC1)CC(C)C ZINC000539096582 1033275708 /nfs/dbraw/zinc/27/57/08/1033275708.db2.gz JTWKGWKXELOTQO-IBGZPJMESA-N 2 0 310.526 3.636 20 0 DHADRP CCC[NH+](CCC)CCCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC001168225353 1025352867 /nfs/dbraw/zinc/35/28/67/1025352867.db2.gz XPUGDYBSNGJEGX-UHFFFAOYSA-N 2 0 323.569 3.695 20 0 DHADRP CCCCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093089079 1025353304 /nfs/dbraw/zinc/35/33/04/1025353304.db2.gz DMBTYUZTJDGMOM-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP Cc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n1 ZINC000366249355 1025394525 /nfs/dbraw/zinc/39/45/25/1025394525.db2.gz JRTVKRAYWWTIMJ-UZLBHIALSA-N 2 0 315.505 3.565 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123703075 1025395852 /nfs/dbraw/zinc/39/58/52/1025395852.db2.gz QSXWSQDECWDXCK-OAQYLSRUSA-N 2 0 324.468 3.924 20 0 DHADRP Cc1cccc(CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000366253657 1025395745 /nfs/dbraw/zinc/39/57/45/1025395745.db2.gz WGZBNVTVFUBKST-UHFFFAOYSA-N 2 0 315.505 3.567 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000885908230 1025404092 /nfs/dbraw/zinc/40/40/92/1025404092.db2.gz MSLXBVPUGAKGBI-UHFFFAOYSA-N 2 0 317.864 3.867 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885922748 1025405123 /nfs/dbraw/zinc/40/51/23/1025405123.db2.gz GXGWCHOJDXJDMC-OALUTQOASA-N 2 0 322.537 3.970 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000925876108 1025405618 /nfs/dbraw/zinc/40/56/18/1025405618.db2.gz REWPPEVYLVZRLM-SCRDCRAPSA-N 2 0 314.445 3.822 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000885924819 1025405838 /nfs/dbraw/zinc/40/58/38/1025405838.db2.gz VJUAXCYYZQLDFV-GASCZTMLSA-N 2 0 309.885 3.583 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000718759719 1025407646 /nfs/dbraw/zinc/40/76/46/1025407646.db2.gz GVPSSEJULSWKAI-YSIASYRMSA-N 2 0 318.505 3.834 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000925877729 1025412741 /nfs/dbraw/zinc/41/27/41/1025412741.db2.gz VWMGNCWSUIHOOW-BYCMXARLSA-N 2 0 311.267 3.617 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000885954383 1025417695 /nfs/dbraw/zinc/41/76/95/1025417695.db2.gz WPUVLBUSAPKYTP-ICSRJNTNSA-N 2 0 322.537 3.968 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000886012720 1025439241 /nfs/dbraw/zinc/43/92/41/1025439241.db2.gz NLPSNCQROGQTFI-RBUKOAKNSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886041738 1025448040 /nfs/dbraw/zinc/44/80/40/1025448040.db2.gz QFBWUTXSWCAOQR-OALUTQOASA-N 2 0 322.537 3.826 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000886043529 1025450352 /nfs/dbraw/zinc/45/03/52/1025450352.db2.gz DNBMNFOYHBZFBS-FVELJTHGSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)(C)OCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000354718777 1025489937 /nfs/dbraw/zinc/48/99/37/1025489937.db2.gz UZZROUZYTYADPZ-FUHWJXTLSA-N 2 0 308.510 3.530 20 0 DHADRP CC(C)(C)OCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000354719544 1025490773 /nfs/dbraw/zinc/49/07/73/1025490773.db2.gz UZZROUZYTYADPZ-SJLPKXTDSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCCO2 ZINC000125861637 1025493533 /nfs/dbraw/zinc/49/35/33/1025493533.db2.gz BGFCXFDOANIQSU-IEBWSBKVSA-N 2 0 316.489 3.919 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(F)c2)cn1 ZINC000126460036 1025511230 /nfs/dbraw/zinc/51/12/30/1025511230.db2.gz LOBMCARUCOWTDO-ZDUSSCGKSA-N 2 0 310.376 3.566 20 0 DHADRP C[C@H](CC[N@H+](C)CC[C@H]1CCCC[NH+]1C)OCc1ccccc1 ZINC000354870400 1025531000 /nfs/dbraw/zinc/53/10/00/1025531000.db2.gz ZFUBOZQOXLPMPI-UYAOXDASSA-N 2 0 318.505 3.788 20 0 DHADRP Cc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000354874393 1025534153 /nfs/dbraw/zinc/53/41/53/1025534153.db2.gz BRMIHQDDBACZKZ-UHFFFAOYSA-N 2 0 309.457 3.738 20 0 DHADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC000293523232 1025535584 /nfs/dbraw/zinc/53/55/84/1025535584.db2.gz BCLDZOIZGKWCPD-UHFFFAOYSA-N 2 0 309.457 3.503 20 0 DHADRP [NH3+]C1CCC([N@H+]([C@@H]2C[C@H]2c2ccccc2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167908581 1025589796 /nfs/dbraw/zinc/58/97/96/1025589796.db2.gz HPAOINNUTXCISK-CHSORFJUSA-N 2 0 310.485 3.913 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C(F)F)CC3)CC2)C1 ZINC000355173755 1025625211 /nfs/dbraw/zinc/62/52/11/1025625211.db2.gz YVSDCUCDTMRLOZ-ZFWWWQNUSA-N 2 0 300.437 3.664 20 0 DHADRP CO[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000886508749 1025660990 /nfs/dbraw/zinc/66/09/90/1025660990.db2.gz MDOAOBDQDGTXSQ-IOJLRTSASA-N 2 0 316.489 3.761 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506549 1025661448 /nfs/dbraw/zinc/66/14/48/1025661448.db2.gz YMGUDQHLKHXBCJ-FZKQIMNGSA-N 2 0 315.436 3.616 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886522122 1025674207 /nfs/dbraw/zinc/67/42/07/1025674207.db2.gz CUICVOWXSXIXOV-VQSBYGRUSA-N 2 0 316.489 3.710 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000886526557 1025677790 /nfs/dbraw/zinc/67/77/90/1025677790.db2.gz NSKGNCBEYDVYND-IVMQYODDSA-N 2 0 318.509 3.912 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCOCc2ccccc2)CC1 ZINC000886534866 1025682811 /nfs/dbraw/zinc/68/28/11/1025682811.db2.gz QHXVVLZYFBWLFM-UHFFFAOYSA-N 2 0 316.489 3.590 20 0 DHADRP CC(C)[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cnn(C)c1 ZINC000886536503 1025683348 /nfs/dbraw/zinc/68/33/48/1025683348.db2.gz JACMJBNADYVNQD-ACBHZAAOSA-N 2 0 318.509 3.504 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000886619139 1025742596 /nfs/dbraw/zinc/74/25/96/1025742596.db2.gz UFSLNZSJJIACBG-LMDPOFIKSA-N 2 0 320.521 3.722 20 0 DHADRP CC(C)[C@H]1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886619249 1025743816 /nfs/dbraw/zinc/74/38/16/1025743816.db2.gz XQQKMXHWKBMPRF-ADEKHHIBSA-N 2 0 322.537 3.824 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000886619140 1025743835 /nfs/dbraw/zinc/74/38/35/1025743835.db2.gz UFSLNZSJJIACBG-VIQWUECVSA-N 2 0 320.521 3.722 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886619250 1025744015 /nfs/dbraw/zinc/74/40/15/1025744015.db2.gz XQQKMXHWKBMPRF-IQNGYNMSSA-N 2 0 322.537 3.824 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000886632967 1025749235 /nfs/dbraw/zinc/74/92/35/1025749235.db2.gz KUEJRBOBQTXWHA-FUFFSDJGSA-N 2 0 320.521 3.721 20 0 DHADRP CC[C@@H](COCC1CC1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886636319 1025749776 /nfs/dbraw/zinc/74/97/76/1025749776.db2.gz KYQWUFHJPYLSHD-VIQWUECVSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]1CCC[C@@H](C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000133645495 1025781579 /nfs/dbraw/zinc/78/15/79/1025781579.db2.gz GYOCYIGOEOZOJD-FUHWJXTLSA-N 2 0 301.478 3.714 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806129718 1025794398 /nfs/dbraw/zinc/79/43/98/1025794398.db2.gz ILGQHJMRQABJRQ-INIZCTEOSA-N 2 0 315.848 3.574 20 0 DHADRP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000806140548 1025800397 /nfs/dbraw/zinc/80/03/97/1025800397.db2.gz YGGCIIONPLNQIQ-MRXNPFEDSA-N 2 0 321.896 3.968 20 0 DHADRP CCSCC[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000355733561 1025823592 /nfs/dbraw/zinc/82/35/92/1025823592.db2.gz LSBFRSNGQBJCKW-UHFFFAOYSA-N 2 0 306.519 3.761 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(C)C)c2)[C@H](C)C1 ZINC000152509892 1025851026 /nfs/dbraw/zinc/85/10/26/1025851026.db2.gz GDGJESYJZKBSDT-APWZRJJASA-N 2 0 304.478 3.541 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000136598910 1025870975 /nfs/dbraw/zinc/87/09/75/1025870975.db2.gz YHUYIZODEPWQIX-LNLFQRSKSA-N 2 0 309.457 3.643 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC1 ZINC000886774139 1025892981 /nfs/dbraw/zinc/89/29/81/1025892981.db2.gz ILBVHZKVTNXGKH-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000356107319 1025948644 /nfs/dbraw/zinc/94/86/44/1025948644.db2.gz GLDFRXJJUMOQKU-PKOBYXMFSA-N 2 0 322.537 3.802 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000237544273 1026015241 /nfs/dbraw/zinc/01/52/41/1026015241.db2.gz AVCPFOUUBISJMY-INIZCTEOSA-N 2 0 314.429 3.605 20 0 DHADRP C[C@@H]1C[C@@H](N(C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644307 1026120086 /nfs/dbraw/zinc/12/00/86/1026120086.db2.gz UBIQWMBIOBZLTQ-YPMHNXCESA-N 2 0 318.358 3.759 20 0 DHADRP COCCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000894140916 1026155136 /nfs/dbraw/zinc/15/51/36/1026155136.db2.gz HOVMOZLSYSTCGZ-RAFMOHDBSA-N 2 0 316.489 3.759 20 0 DHADRP CC(C)[N@@H+](CC[C@@H](C)CCCC(C)(C)O)[C@H]1CCC[NH2+]CC1 ZINC001206584345 1026162935 /nfs/dbraw/zinc/16/29/35/1026162935.db2.gz YNYRDKIWKXJVPA-ROUUACIJSA-N 2 0 312.542 3.806 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCCO2 ZINC000356796841 1026174472 /nfs/dbraw/zinc/17/44/72/1026174472.db2.gz ZBXAFXTUOGRILL-QGZVFWFLSA-N 2 0 302.462 3.530 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCCS2)C3)cc1 ZINC000245736436 1026184620 /nfs/dbraw/zinc/18/46/20/1026184620.db2.gz QXJVEOAZPWXLGO-FCGDIQPGSA-N 2 0 316.514 3.667 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCc1cncn1C ZINC000289974123 1026260476 /nfs/dbraw/zinc/26/04/76/1026260476.db2.gz JHFFLOLRZGUSFS-CYBMUJFWSA-N 2 0 306.479 3.544 20 0 DHADRP Cc1cccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357017616 1026278234 /nfs/dbraw/zinc/27/82/34/1026278234.db2.gz SZPOXWOOZOWTNL-GOSISDBHSA-N 2 0 315.505 3.867 20 0 DHADRP CC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000290063357 1026305046 /nfs/dbraw/zinc/30/50/46/1026305046.db2.gz XWISJPWZAGBSTM-WYMLVPIESA-N 2 0 324.415 3.765 20 0 DHADRP Clc1nccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)sc21 ZINC000894171863 1026314675 /nfs/dbraw/zinc/31/46/75/1026314675.db2.gz CHOUAAGZXJNTEH-NSHDSACASA-N 2 0 321.877 3.524 20 0 DHADRP Cc1ncoc1CNCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000894176067 1026324405 /nfs/dbraw/zinc/32/44/05/1026324405.db2.gz OLJFHSYIPLBTOV-OAHLLOKOSA-N 2 0 313.445 3.505 20 0 DHADRP CCCCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)(C)C ZINC000808706320 1026358069 /nfs/dbraw/zinc/35/80/69/1026358069.db2.gz HBRPZJSQNJJJPQ-OTWHNJEPSA-N 2 0 324.553 3.949 20 0 DHADRP Clc1ccc(CCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727859 1026376682 /nfs/dbraw/zinc/37/66/82/1026376682.db2.gz SJGNAEJZJUKTIN-UHFFFAOYSA-N 2 0 306.881 3.738 20 0 DHADRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167942074 1026449121 /nfs/dbraw/zinc/44/91/21/1026449121.db2.gz YMOBZOJQTKHIST-DETUAXERSA-N 2 0 310.485 3.895 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000513330886 1026478839 /nfs/dbraw/zinc/47/88/39/1026478839.db2.gz PGBDDIDFBSVMSV-PKOBYXMFSA-N 2 0 323.569 3.740 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000513336175 1026480496 /nfs/dbraw/zinc/48/04/96/1026480496.db2.gz VWHDCZOMQYKGOJ-AILXTGBUSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000513334820 1026480559 /nfs/dbraw/zinc/48/05/59/1026480559.db2.gz KVNYSQFTRRVTKX-IBGZPJMESA-N 2 0 308.510 3.578 20 0 DHADRP CCc1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000513367159 1026485617 /nfs/dbraw/zinc/48/56/17/1026485617.db2.gz OEIRRSZNBQJBEI-UXHICEINSA-N 2 0 300.490 3.913 20 0 DHADRP COc1ccccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513430542 1026502171 /nfs/dbraw/zinc/50/21/71/1026502171.db2.gz VBDMZNYERSGEQQ-GOSISDBHSA-N 2 0 316.489 3.783 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000513545754 1026537075 /nfs/dbraw/zinc/53/70/75/1026537075.db2.gz SIVWPMWQONCIQJ-AEFFLSMTSA-N 2 0 318.530 3.772 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1C[C@@H]1C ZINC000414150710 1026542543 /nfs/dbraw/zinc/54/25/43/1026542543.db2.gz PJMIOXJCVXMAKM-YSSFQJQWSA-N 2 0 316.489 3.684 20 0 DHADRP CCOc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809738765 1026611165 /nfs/dbraw/zinc/61/11/65/1026611165.db2.gz IRPFPIFPXCPTBI-UHFFFAOYSA-N 2 0 312.457 3.779 20 0 DHADRP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc(C)c1O ZINC000809738895 1026611452 /nfs/dbraw/zinc/61/14/52/1026611452.db2.gz OIAMWRUGJMLBCX-UHFFFAOYSA-N 2 0 312.457 3.703 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280417865 1026646204 /nfs/dbraw/zinc/64/62/04/1026646204.db2.gz ZBPPONBATWZCLO-LJQANCHMSA-N 2 0 301.478 3.634 20 0 DHADRP [NH3+][C@H]1CCC[C@H](CNc2ncccc2OCc2ccccc2)C1 ZINC000420272964 1026795489 /nfs/dbraw/zinc/79/54/89/1026795489.db2.gz DSUVFMOTJXVUIX-IRXDYDNUSA-N 2 0 311.429 3.590 20 0 DHADRP COc1ccccc1-c1ccc(CN(C[C@@H](C)[NH3+])C(C)C)cc1 ZINC000420296791 1026795681 /nfs/dbraw/zinc/79/56/81/1026795681.db2.gz DWWZFMYJXVYEFC-MRXNPFEDSA-N 2 0 312.457 3.920 20 0 DHADRP Fc1ccc(F)c(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000420297868 1026796715 /nfs/dbraw/zinc/79/67/15/1026796715.db2.gz GKTNQUUFXBACGM-AWEZNQCLSA-N 2 0 308.416 3.709 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000420296887 1026797645 /nfs/dbraw/zinc/79/76/45/1026797645.db2.gz CLDYVARWZQUSLH-INIZCTEOSA-N 2 0 318.848 3.523 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000420300469 1026800056 /nfs/dbraw/zinc/80/00/56/1026800056.db2.gz HNAFAQXXPDSDIF-WBVHZDCISA-N 2 0 316.470 3.636 20 0 DHADRP CC(C)c1csc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420310219 1026800360 /nfs/dbraw/zinc/80/03/60/1026800360.db2.gz FPVTZNISPYFSRE-HOTGVXAUSA-N 2 0 321.534 3.836 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000420317134 1026802860 /nfs/dbraw/zinc/80/28/60/1026802860.db2.gz NGQYCAXBQPIIFW-UYAOXDASSA-N 2 0 310.441 3.575 20 0 DHADRP FC(F)(F)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367111 1026808476 /nfs/dbraw/zinc/80/84/76/1026808476.db2.gz GSLZRRKMFTZPBA-HNNXBMFYSA-N 2 0 314.395 3.831 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420377625 1026809378 /nfs/dbraw/zinc/80/93/78/1026809378.db2.gz PVXRTQMLFVALTQ-BBRMVZONSA-N 2 0 312.379 3.842 20 0 DHADRP C[C@H](c1ccccc1Cl)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420382461 1026812850 /nfs/dbraw/zinc/81/28/50/1026812850.db2.gz PUNWHQVEXRWUIL-BVGQSLNGSA-N 2 0 322.880 3.619 20 0 DHADRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)c4cc[nH]c43)CC2)C1 ZINC001279905620 1026816179 /nfs/dbraw/zinc/81/61/79/1026816179.db2.gz PWTCTYYMNNEOSN-UHFFFAOYSA-N 2 0 315.436 3.615 20 0 DHADRP C[N@@H+](Cc1ccccc1OC1CCCC1)CC1CC[NH+](C)CC1 ZINC000513736646 1026908470 /nfs/dbraw/zinc/90/84/70/1026908470.db2.gz HVJMIIQPRYRQRX-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414492661 1026921348 /nfs/dbraw/zinc/92/13/48/1026921348.db2.gz AVTYYRMKQTWTIU-UHFFFAOYSA-N 2 0 324.472 3.533 20 0 DHADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924931583 1026945243 /nfs/dbraw/zinc/94/52/43/1026945243.db2.gz VGHBJYKUVJUCEO-DWBSNAHUSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000421377822 1026970671 /nfs/dbraw/zinc/97/06/71/1026970671.db2.gz SBKJYGXIBWVGCW-BMHOQUIDSA-N 2 0 315.505 3.879 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC000421821550 1027056265 /nfs/dbraw/zinc/05/62/65/1027056265.db2.gz RZSVIJSNQJJWSZ-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000421820882 1027057583 /nfs/dbraw/zinc/05/75/83/1027057583.db2.gz OFPVXUMPHGZXDK-QGZVFWFLSA-N 2 0 316.489 3.720 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C2CC2)c(F)c1 ZINC000421856921 1027068325 /nfs/dbraw/zinc/06/83/25/1027068325.db2.gz OSNKGCFYHYPXPO-AUUYWEPGSA-N 2 0 320.452 3.607 20 0 DHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000421865519 1027071897 /nfs/dbraw/zinc/07/18/97/1027071897.db2.gz ZMLSRGOOWIAJRO-KGLIPLIRSA-N 2 0 310.869 3.731 20 0 DHADRP Cn1cncc1CCC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000571892246 1027154886 /nfs/dbraw/zinc/15/48/86/1027154886.db2.gz FFUIEOWVOMQAFQ-KRWDZBQOSA-N 2 0 321.827 3.886 20 0 DHADRP CSCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362394184 1027181349 /nfs/dbraw/zinc/18/13/49/1027181349.db2.gz CEMLLERTIKZBOT-UHFFFAOYSA-N 2 0 318.530 3.728 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000572201071 1027183580 /nfs/dbraw/zinc/18/35/80/1027183580.db2.gz SSIFXKMUXZGNMJ-WBVHZDCISA-N 2 0 322.468 3.778 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000572200940 1027183614 /nfs/dbraw/zinc/18/36/14/1027183614.db2.gz MLLSAHISMCLWSZ-HNAYVOBHSA-N 2 0 311.473 3.867 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000562066945 1027212868 /nfs/dbraw/zinc/21/28/68/1027212868.db2.gz YVKGZYCQQQXYMA-GQGLESIBSA-N 2 0 308.416 3.673 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931727690 1027236936 /nfs/dbraw/zinc/23/69/36/1027236936.db2.gz WKJLWOFCZCIIQP-CFVMTHIKSA-N 2 0 310.388 3.518 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ncsc2c1 ZINC000362515282 1027257931 /nfs/dbraw/zinc/25/79/31/1027257931.db2.gz FTFJHBINXPJMNR-AEGPPILISA-N 2 0 301.459 3.574 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000422563707 1027285796 /nfs/dbraw/zinc/28/57/96/1027285796.db2.gz UKSIZDHMGLVPKG-IIAWOOMASA-N 2 0 315.486 3.615 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924955588 1027289161 /nfs/dbraw/zinc/28/91/61/1027289161.db2.gz PDGRUWNORSZHNC-UYAOXDASSA-N 2 0 315.505 3.504 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422707122 1027297723 /nfs/dbraw/zinc/29/77/23/1027297723.db2.gz VSQITINDBRXQPT-KZNAEPCWSA-N 2 0 318.892 3.882 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000422690476 1027299450 /nfs/dbraw/zinc/29/94/50/1027299450.db2.gz GIXRYHXPCBYSLD-DGCLKSJQSA-N 2 0 303.837 3.914 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000422715242 1027301633 /nfs/dbraw/zinc/30/16/33/1027301633.db2.gz SCCGSNAMPLOEPL-PESDSKBTSA-N 2 0 300.368 3.787 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422734161 1027301722 /nfs/dbraw/zinc/30/17/22/1027301722.db2.gz SCUNBVMFGKEJPE-NXEZZACHSA-N 2 0 323.239 3.537 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422720790 1027301994 /nfs/dbraw/zinc/30/19/94/1027301994.db2.gz MWDBGMDNCGIBQO-XJKSGUPXSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422714620 1027302805 /nfs/dbraw/zinc/30/28/05/1027302805.db2.gz REVUAEPBWRAXFS-KXBFYZLASA-N 2 0 314.448 3.651 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422716347 1027303884 /nfs/dbraw/zinc/30/38/84/1027303884.db2.gz JZDRCXDOTASPSF-CYBMUJFWSA-N 2 0 302.384 3.745 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422759559 1027307614 /nfs/dbraw/zinc/30/76/14/1027307614.db2.gz PMTLBQYRSNHOLH-UTKZUKDTSA-N 2 0 308.469 3.796 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422742527 1027311399 /nfs/dbraw/zinc/31/13/99/1027311399.db2.gz QFLCTIWSYGAANA-GHMZBOCLSA-N 2 0 319.449 3.516 20 0 DHADRP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422757113 1027314342 /nfs/dbraw/zinc/31/43/42/1027314342.db2.gz JMHCEZBPVAPOPU-KZNAEPCWSA-N 2 0 322.493 3.818 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422754774 1027314652 /nfs/dbraw/zinc/31/46/52/1027314652.db2.gz GDRRSVIUWBEYCK-RCCFBDPRSA-N 2 0 304.453 3.614 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)CCCC[NH3+])c2ccccc2)cc1 ZINC000422770151 1027314985 /nfs/dbraw/zinc/31/49/85/1027314985.db2.gz UKOKVAUNLNLVPM-OXQOHEQNSA-N 2 0 312.457 3.892 20 0 DHADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])Sc1ccccc1 ZINC000422778895 1027317052 /nfs/dbraw/zinc/31/70/52/1027317052.db2.gz BCTSOTUIZKENEZ-GJYPPUQNSA-N 2 0 314.498 3.715 20 0 DHADRP CC[C@H](C)[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(Cl)cc1 ZINC000422775625 1027319333 /nfs/dbraw/zinc/31/93/33/1027319333.db2.gz ATMRBBAFVCJFRI-JQFCIGGWSA-N 2 0 312.885 3.771 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422777388 1027320130 /nfs/dbraw/zinc/32/01/30/1027320130.db2.gz FMPFEBYNGRZXPJ-OAHLLOKOSA-N 2 0 311.473 3.786 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422794656 1027321511 /nfs/dbraw/zinc/32/15/11/1027321511.db2.gz ZHHUUHYACAJXSO-RYGJVYDSSA-N 2 0 310.441 3.889 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422798030 1027324103 /nfs/dbraw/zinc/32/41/03/1027324103.db2.gz PLSYPQRHCNTKNM-BVPBIZIASA-N 2 0 322.880 3.618 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422804601 1027325824 /nfs/dbraw/zinc/32/58/24/1027325824.db2.gz HRMZXZPYJILVGU-NSHDSACASA-N 2 0 319.449 3.561 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc2)cs1 ZINC000422801492 1027326134 /nfs/dbraw/zinc/32/61/34/1027326134.db2.gz FOMSVEGBMNZCFK-OLZOCXBDSA-N 2 0 303.475 3.897 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000422797952 1027327326 /nfs/dbraw/zinc/32/73/26/1027327326.db2.gz PFLFLDPFOMTCST-PXAZEXFGSA-N 2 0 301.459 3.712 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422805254 1027327547 /nfs/dbraw/zinc/32/75/47/1027327547.db2.gz IZSJJVJOIVDTBL-BRWVUGGUSA-N 2 0 322.493 3.948 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422810354 1027329685 /nfs/dbraw/zinc/32/96/85/1027329685.db2.gz RQBSBDZTZDEEBK-MDNKFWRPSA-N 2 0 316.489 3.583 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422812938 1027332733 /nfs/dbraw/zinc/33/27/33/1027332733.db2.gz YMSOUZCJFXAMPC-LSDHHAIUSA-N 2 0 316.420 3.620 20 0 DHADRP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422837859 1027339562 /nfs/dbraw/zinc/33/95/62/1027339562.db2.gz VNEBCZDPOOJRRU-VAMGGRTRSA-N 2 0 316.489 3.624 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000422853501 1027343397 /nfs/dbraw/zinc/34/33/97/1027343397.db2.gz CCJJBSJQZOTZQJ-ROUUACIJSA-N 3 0 317.521 3.526 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccccc2C)CCCCC1 ZINC000422858704 1027344595 /nfs/dbraw/zinc/34/45/95/1027344595.db2.gz IULVNSWPODAZQD-SFHVURJKSA-N 2 0 318.505 3.540 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422885680 1027349646 /nfs/dbraw/zinc/34/96/46/1027349646.db2.gz UXTMMQCOJPJRHL-MSOLQXFVSA-N 3 0 317.521 3.668 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422884864 1027351402 /nfs/dbraw/zinc/35/14/02/1027351402.db2.gz XUABQKCFOMSAFF-ILXRZTDVSA-N 2 0 320.477 3.793 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000422900521 1027353702 /nfs/dbraw/zinc/35/37/02/1027353702.db2.gz JMGIAOCYEGCNNI-LMWSTFAQSA-N 2 0 316.367 3.548 20 0 DHADRP COc1ccc(C2(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCCCC2)cc1 ZINC000422896585 1027354681 /nfs/dbraw/zinc/35/46/81/1027354681.db2.gz AMWKCPXMJWPIHS-HZPDHXFCSA-N 2 0 304.478 3.613 20 0 DHADRP Fc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422905722 1027356410 /nfs/dbraw/zinc/35/64/10/1027356410.db2.gz IVOYXUQABYWTEX-GBESFXJTSA-N 2 0 304.453 3.659 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422905448 1027357198 /nfs/dbraw/zinc/35/71/98/1027357198.db2.gz SCRFGNOTPGNIKZ-NHYWBVRUSA-N 2 0 300.368 3.600 20 0 DHADRP c1ccc([C@@H]2C[C@H]([NH2+]Cc3cnc4ccccc4c3)CCN2)cc1 ZINC000422912566 1027359355 /nfs/dbraw/zinc/35/93/55/1027359355.db2.gz NIHTZXDCQXOVCU-CTNGQTDRSA-N 2 0 317.436 3.818 20 0 DHADRP Cc1ccccc1C1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422906612 1027359657 /nfs/dbraw/zinc/35/96/57/1027359657.db2.gz VMSNVVDXDGJMFK-YLJYHZDGSA-N 2 0 308.469 3.575 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000422922544 1027362072 /nfs/dbraw/zinc/36/20/72/1027362072.db2.gz TYCQBNMFTIJZCM-BRSBDYLESA-N 2 0 322.880 3.538 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000422922547 1027362848 /nfs/dbraw/zinc/36/28/48/1027362848.db2.gz TYCQBNMFTIJZCM-XMTFNYHQSA-N 2 0 322.880 3.538 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OCCC(C)C ZINC000422942495 1027367443 /nfs/dbraw/zinc/36/74/43/1027367443.db2.gz KMJIFCWFUJRIBO-OAGGEKHMSA-N 2 0 322.493 3.897 20 0 DHADRP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422940163 1027368783 /nfs/dbraw/zinc/36/87/83/1027368783.db2.gz SEHMWOZDKSDGNW-NJYVYQBISA-N 2 0 308.469 3.893 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422941633 1027368940 /nfs/dbraw/zinc/36/89/40/1027368940.db2.gz JVEDOVHOVWXKDI-SJORKVTESA-N 2 0 312.457 3.524 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422920643 1027371695 /nfs/dbraw/zinc/37/16/95/1027371695.db2.gz MLBNYJMWHAFVSX-NKGKWGDASA-N 2 0 322.880 3.618 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)Oc1ccccc1Cl ZINC000422918450 1027372178 /nfs/dbraw/zinc/37/21/78/1027372178.db2.gz IDHIUSVJLNBUGR-JLZZUVOBSA-N 2 0 316.832 3.842 20 0 DHADRP Cc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422965725 1027372722 /nfs/dbraw/zinc/37/27/22/1027372722.db2.gz LVPODBPFBPFTLB-MAODMQOUSA-N 2 0 324.468 3.504 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1=CCCCC1 ZINC000422966122 1027373734 /nfs/dbraw/zinc/37/37/34/1027373734.db2.gz QRDSLGRNAZKGAB-ICSRJNTNSA-N 2 0 312.457 3.722 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422946429 1027375083 /nfs/dbraw/zinc/37/50/83/1027375083.db2.gz WSVZTBLZBPVSHM-LAUBAEHRSA-N 2 0 324.468 3.743 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422948252 1027376304 /nfs/dbraw/zinc/37/63/04/1027376304.db2.gz QZTYDJSKGVYVAE-KGLIPLIRSA-N 2 0 301.261 3.786 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000422947298 1027377349 /nfs/dbraw/zinc/37/73/49/1027377349.db2.gz YDSHVXTZKABSIW-GFCCVEGCSA-N 2 0 311.267 3.545 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)c2ccccc21 ZINC000422955798 1027380197 /nfs/dbraw/zinc/38/01/97/1027380197.db2.gz NLKQZQYTBGBDTK-IRXDYDNUSA-N 2 0 304.796 3.756 20 0 DHADRP CCCOc1cccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422991646 1027382453 /nfs/dbraw/zinc/38/24/53/1027382453.db2.gz PXEMTECSLZSXEE-WOJBJXKFSA-N 2 0 310.441 3.752 20 0 DHADRP CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422999026 1027384993 /nfs/dbraw/zinc/38/49/93/1027384993.db2.gz DMHMIBGLPPIEQN-IRXDYDNUSA-N 2 0 306.519 3.906 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423019042 1027389596 /nfs/dbraw/zinc/38/95/96/1027389596.db2.gz SYOGHMASEOHHOY-UONOGXRCSA-N 2 0 319.301 3.696 20 0 DHADRP C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000423019316 1027390929 /nfs/dbraw/zinc/39/09/29/1027390929.db2.gz VBSWWRLYGWSZCE-HZUKXOBISA-N 2 0 312.379 3.744 20 0 DHADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423013890 1027392162 /nfs/dbraw/zinc/39/21/62/1027392162.db2.gz NSRHMHUMCMHNHH-GKCIPKSASA-N 2 0 310.441 3.608 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)[C@H](C)C1 ZINC001170685517 1027394827 /nfs/dbraw/zinc/39/48/27/1027394827.db2.gz OJESOFFCJPANNK-VVFCZOMOSA-N 2 0 322.443 3.531 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)[C@H](C)C1 ZINC001170685516 1027396112 /nfs/dbraw/zinc/39/61/12/1027396112.db2.gz OJESOFFCJPANNK-NRXGSXMXSA-N 2 0 322.443 3.531 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423025032 1027398057 /nfs/dbraw/zinc/39/80/57/1027398057.db2.gz NFWAYZJXNYFARW-SMDDNHRTSA-N 2 0 306.347 3.926 20 0 DHADRP C[C@H]1C[C@@H](C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[NH2+]1 ZINC000574501435 1027398088 /nfs/dbraw/zinc/39/80/88/1027398088.db2.gz IDDVXQBYRYOCIT-KBPBESRZSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCCCC1)C1C[NH2+]C1 ZINC000423028604 1027398367 /nfs/dbraw/zinc/39/83/67/1027398367.db2.gz SRHHMEVBDQKAGU-CQSZACIVSA-N 2 0 306.881 3.739 20 0 DHADRP Fc1cccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423027079 1027398531 /nfs/dbraw/zinc/39/85/31/1027398531.db2.gz CVHPULGWXQIKDA-GBESFXJTSA-N 2 0 319.468 3.528 20 0 DHADRP COCC[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccc(C)o1 ZINC000423043975 1027400572 /nfs/dbraw/zinc/40/05/72/1027400572.db2.gz QHORRZMQDXYMGL-PVAVHDDUSA-N 2 0 308.466 3.566 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423057048 1027402993 /nfs/dbraw/zinc/40/29/93/1027402993.db2.gz GRRNYCHQAHPORM-JMSVASOKSA-N 2 0 300.368 3.539 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)c2ccccc21 ZINC000423064984 1027405070 /nfs/dbraw/zinc/40/50/70/1027405070.db2.gz ALWHABSODRWVSD-HOTGVXAUSA-N 2 0 318.367 3.565 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000423070028 1027406399 /nfs/dbraw/zinc/40/63/99/1027406399.db2.gz CBNXBGJBJCVIHG-PXNSSMCTSA-N 2 0 312.457 3.555 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423075374 1027406743 /nfs/dbraw/zinc/40/67/43/1027406743.db2.gz OKIDIDQKFRUBRE-CVEARBPZSA-N 2 0 310.441 3.524 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423068654 1027407687 /nfs/dbraw/zinc/40/76/87/1027407687.db2.gz KJFARHGUPSSXES-WFASDCNBSA-N 2 0 314.395 3.700 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423050289 1027408220 /nfs/dbraw/zinc/40/82/20/1027408220.db2.gz YWBRCOFLYDSFJT-YTQUADARSA-N 2 0 302.437 3.869 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000423076874 1027412075 /nfs/dbraw/zinc/41/20/75/1027412075.db2.gz SADBJPKKFHJHJD-RHQZKXFESA-N 2 0 322.537 3.586 20 0 DHADRP Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423097684 1027414939 /nfs/dbraw/zinc/41/49/39/1027414939.db2.gz RCQYGQMIOHBONX-YTQUADARSA-N 2 0 304.453 3.659 20 0 DHADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423091089 1027415052 /nfs/dbraw/zinc/41/50/52/1027415052.db2.gz ZFHLZDRDQSXAIV-UIFIKXQLSA-N 2 0 324.468 3.759 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423096335 1027415634 /nfs/dbraw/zinc/41/56/34/1027415634.db2.gz HLEOWZAQUZASQK-NIUAORQVSA-N 2 0 310.844 3.703 20 0 DHADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423091087 1027415677 /nfs/dbraw/zinc/41/56/77/1027415677.db2.gz ZFHLZDRDQSXAIV-JRGCBEDISA-N 2 0 324.468 3.759 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423101168 1027417010 /nfs/dbraw/zinc/41/70/10/1027417010.db2.gz COLBPOBTIBDFIT-IPMKNSEASA-N 2 0 318.530 3.950 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423101755 1027417821 /nfs/dbraw/zinc/41/78/21/1027417821.db2.gz JDRDQSNJIZNBBT-SUMWQHHRSA-N 2 0 310.869 3.525 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000423122344 1027421014 /nfs/dbraw/zinc/42/10/14/1027421014.db2.gz KJTZZGWXCZXUMM-NMLACTOBSA-N 2 0 308.425 3.641 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000423122343 1027421459 /nfs/dbraw/zinc/42/14/59/1027421459.db2.gz KJTZZGWXCZXUMM-HUYLIWGRSA-N 2 0 308.425 3.641 20 0 DHADRP [NH3+]CC1CCC([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000423120379 1027422049 /nfs/dbraw/zinc/42/20/49/1027422049.db2.gz GGDMGWJXFGADKC-HWOWSKLDSA-N 2 0 314.395 3.515 20 0 DHADRP c1cc2c(cccc2CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[nH]1 ZINC000423109146 1027424049 /nfs/dbraw/zinc/42/40/49/1027424049.db2.gz HBARCCYWKBVDJF-YSIASYRMSA-N 2 0 311.473 3.611 20 0 DHADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000423103709 1027425236 /nfs/dbraw/zinc/42/52/36/1027425236.db2.gz XXEANTRTKGBDSC-AHRSYUTCSA-N 2 0 313.489 3.518 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000423111952 1027427240 /nfs/dbraw/zinc/42/72/40/1027427240.db2.gz RJFJTAYCYLQGFA-BFHYXJOUSA-N 2 0 304.400 3.619 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113135 1027427360 /nfs/dbraw/zinc/42/73/60/1027427360.db2.gz YMVJAIXVERKLRO-OCCSQVGLSA-N 2 0 300.899 3.702 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423112648 1027428836 /nfs/dbraw/zinc/42/88/36/1027428836.db2.gz SMJYBTLKIMMWEA-OKZBNKHCSA-N 2 0 304.503 3.560 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113134 1027428975 /nfs/dbraw/zinc/42/89/75/1027428975.db2.gz YMVJAIXVERKLRO-JSGCOSHPSA-N 2 0 300.899 3.702 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000423113886 1027429398 /nfs/dbraw/zinc/42/93/98/1027429398.db2.gz UVWXOANRGJKPQS-IAQYHMDHSA-N 2 0 319.276 3.524 20 0 DHADRP CC(C)CCn1nc(C[NH2+][C@@H](C)CCCC[NH3+])c2ccccc21 ZINC000423153963 1027432575 /nfs/dbraw/zinc/43/25/75/1027432575.db2.gz OJKBUZCIPGHXAK-INIZCTEOSA-N 2 0 316.493 3.690 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423213355 1027448683 /nfs/dbraw/zinc/44/86/83/1027448683.db2.gz JVINKRYORGFARJ-OBJOEFQTSA-N 2 0 309.523 3.788 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423205224 1027455568 /nfs/dbraw/zinc/45/55/68/1027455568.db2.gz DYZHIOATUFXDAY-DLBZAZTESA-N 2 0 304.478 3.762 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423219261 1027461835 /nfs/dbraw/zinc/46/18/35/1027461835.db2.gz SZKJJESLLHDKCI-XEZPLFJOSA-N 2 0 310.869 3.777 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)cs1 ZINC000423218760 1027462021 /nfs/dbraw/zinc/46/20/21/1027462021.db2.gz VZPTYXHEHZQYNK-DGCLKSJQSA-N 2 0 321.515 3.830 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220008 1027462444 /nfs/dbraw/zinc/46/24/44/1027462444.db2.gz XQJRVNYJNKDMDU-DZGCQCFKSA-N 2 0 312.910 3.800 20 0 DHADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423245074 1027472580 /nfs/dbraw/zinc/47/25/80/1027472580.db2.gz INALZOLNBWJRGZ-IAGOWNOFSA-N 2 0 304.478 3.762 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000423251229 1027476143 /nfs/dbraw/zinc/47/61/43/1027476143.db2.gz RQDLBUZGOAJOJG-OXJNMPFZSA-N 2 0 312.432 3.813 20 0 DHADRP CC[C@H]([NH2+][C@@H](CN)CC(C)C)c1ccc(OC(F)F)cc1 ZINC000423259532 1027478466 /nfs/dbraw/zinc/47/84/66/1027478466.db2.gz FFHQHCXDSDZWDJ-HIFRSBDPSA-N 2 0 300.393 3.702 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1OCc1ccccc1 ZINC000423253117 1027479032 /nfs/dbraw/zinc/47/90/32/1027479032.db2.gz VDHBVMFMQUYLGC-ZWKOTPCHSA-N 2 0 324.468 3.916 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCCS2 ZINC000423282798 1027483193 /nfs/dbraw/zinc/48/31/93/1027483193.db2.gz WYPSRAVJDFTMCE-YOEHRIQHSA-N 2 0 320.502 3.602 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423282226 1027483652 /nfs/dbraw/zinc/48/36/52/1027483652.db2.gz CLQWXHSMWQJTHT-WBVHZDCISA-N 2 0 322.468 3.968 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(F)cn1 ZINC000423292227 1027486728 /nfs/dbraw/zinc/48/67/28/1027486728.db2.gz MAGKUMOXFNZOAH-ACJLOTCBSA-N 2 0 301.409 3.727 20 0 DHADRP CCC([NH3+])(CC)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423291850 1027486826 /nfs/dbraw/zinc/48/68/26/1027486826.db2.gz KDBMCBCYMAVUOG-UHFFFAOYSA-N 2 0 311.558 3.773 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423269109 1027488970 /nfs/dbraw/zinc/48/89/70/1027488970.db2.gz GOKFZCGZVQQXMA-LSDHHAIUSA-N 2 0 301.478 3.669 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423306827 1027495659 /nfs/dbraw/zinc/49/56/59/1027495659.db2.gz MBCBBHSZDFEVPX-KYOSRNDESA-N 2 0 300.368 3.526 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423308889 1027496754 /nfs/dbraw/zinc/49/67/54/1027496754.db2.gz PCSIOKRGALBBKN-LRDDRELGSA-N 2 0 308.878 3.870 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294591 1027498694 /nfs/dbraw/zinc/49/86/94/1027498694.db2.gz UXIYBTGSVGCAPK-PXAZEXFGSA-N 2 0 314.404 3.631 20 0 DHADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCC1 ZINC000423322375 1027499000 /nfs/dbraw/zinc/49/90/00/1027499000.db2.gz IIJIWEJCQWGCNN-CABCVRRESA-N 2 0 312.379 3.813 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423317524 1027499341 /nfs/dbraw/zinc/49/93/41/1027499341.db2.gz BRZYVERFLOQRMB-DOMZBBRYSA-N 2 0 316.367 3.626 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cs1 ZINC000295957229 1027500461 /nfs/dbraw/zinc/50/04/61/1027500461.db2.gz LVKFOCXOFKGMFQ-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000423296820 1027503523 /nfs/dbraw/zinc/50/35/23/1027503523.db2.gz ZXOWBJWAEHQFHQ-CDXJDZJCSA-N 2 0 324.468 3.964 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423297903 1027504470 /nfs/dbraw/zinc/50/44/70/1027504470.db2.gz MKHJTCXYTVNSGV-GHMZBOCLSA-N 2 0 307.438 3.503 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423298233 1027504911 /nfs/dbraw/zinc/50/49/11/1027504911.db2.gz NSJSTJPQINPIOO-RYUDHWBXSA-N 2 0 308.372 3.687 20 0 DHADRP COc1cccc([C@H]([NH2+]CCCC[NH3+])c2ccccc2Cl)c1 ZINC000423323428 1027506193 /nfs/dbraw/zinc/50/61/93/1027506193.db2.gz JKOUUWNEHWDNRL-SFHVURJKSA-N 2 0 318.848 3.767 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CC3=CC[NH2+]CC3)cs2)cs1 ZINC000423344388 1027506361 /nfs/dbraw/zinc/50/63/61/1027506361.db2.gz MTCLRSUUCRZUGB-LLVKDONJSA-N 2 0 319.499 3.750 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423347951 1027508384 /nfs/dbraw/zinc/50/83/84/1027508384.db2.gz RKTBLGTXPIVELV-IAGOWNOFSA-N 2 0 324.390 3.851 20 0 DHADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423332592 1027511540 /nfs/dbraw/zinc/51/15/40/1027511540.db2.gz DQGYANNRSFDTJS-GOSISDBHSA-N 2 0 306.881 3.807 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423334153 1027513766 /nfs/dbraw/zinc/51/37/66/1027513766.db2.gz QPDJTBCPGSEPAG-GFCCVEGCSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423340939 1027518088 /nfs/dbraw/zinc/51/80/88/1027518088.db2.gz WBKVXBNIKLPFRI-ZIAGYGMSSA-N 2 0 317.502 3.768 20 0 DHADRP c1ccc(CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423349236 1027518199 /nfs/dbraw/zinc/51/81/99/1027518199.db2.gz WEJWHCOBCMTUQK-OAQYLSRUSA-N 2 0 306.453 3.870 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000423365132 1027523063 /nfs/dbraw/zinc/52/30/63/1027523063.db2.gz CWJVJLBTJHAIDA-XIRDDKMYSA-N 2 0 320.477 3.523 20 0 DHADRP C[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1cc(F)cc(F)c1 ZINC000296042199 1027527638 /nfs/dbraw/zinc/52/76/38/1027527638.db2.gz OBFRDYHOHPMSIU-FACVHXDRSA-N 2 0 308.416 3.625 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1Cl ZINC000423389316 1027530353 /nfs/dbraw/zinc/53/03/53/1027530353.db2.gz JHZJXUZPIGBKDU-RLFYNMQTSA-N 2 0 324.896 3.784 20 0 DHADRP CCC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OC)cc1 ZINC000423386664 1027532278 /nfs/dbraw/zinc/53/22/78/1027532278.db2.gz MHFWSIXCCLVCID-FQEVSTJZSA-N 2 0 310.441 3.929 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)CC[NH2+]1 ZINC000423393974 1027535667 /nfs/dbraw/zinc/53/56/67/1027535667.db2.gz ZCDAUXSTJNYFFN-WPGHFRTFSA-N 2 0 323.278 3.557 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000423421292 1027538524 /nfs/dbraw/zinc/53/85/24/1027538524.db2.gz KAOVENUMOFLLJT-DOXZYTNZSA-N 2 0 311.473 3.900 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cc(F)c(F)c(F)c1 ZINC000423420673 1027538887 /nfs/dbraw/zinc/53/88/87/1027538887.db2.gz JNUVRLNVEXMQEA-IJLUTSLNSA-N 2 0 300.368 3.520 20 0 DHADRP Clc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)cc1 ZINC000423421843 1027538825 /nfs/dbraw/zinc/53/88/25/1027538825.db2.gz BCFTUJLEOUPHSC-RCCFBDPRSA-N 2 0 304.865 3.769 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423409334 1027539449 /nfs/dbraw/zinc/53/94/49/1027539449.db2.gz YSVUIKXUGFRFKX-DAXOMENPSA-N 2 0 300.471 3.866 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423409337 1027540261 /nfs/dbraw/zinc/54/02/61/1027540261.db2.gz YSVUIKXUGFRFKX-WQVCFCJDSA-N 2 0 300.471 3.866 20 0 DHADRP COCC1(C[NH2+][C@@H](C)c2ccccc2C(C)(C)C)CC[NH2+]CC1 ZINC000423411258 1027540814 /nfs/dbraw/zinc/54/08/14/1027540814.db2.gz UEIURGIDPYTBEY-INIZCTEOSA-N 2 0 318.505 3.651 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1Cl ZINC000423446441 1027542859 /nfs/dbraw/zinc/54/28/59/1027542859.db2.gz CPWLNLJIYNIZRZ-CABCVRRESA-N 2 0 312.885 3.913 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000423426971 1027547483 /nfs/dbraw/zinc/54/74/83/1027547483.db2.gz PZVNHOIQIVBJRG-SOAMZJECSA-N 2 0 316.489 3.509 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc12 ZINC000423431212 1027550834 /nfs/dbraw/zinc/55/08/34/1027550834.db2.gz ILKUNYZQUBZHFQ-PNHOKKKMSA-N 2 0 324.468 3.887 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423430029 1027551221 /nfs/dbraw/zinc/55/12/21/1027551221.db2.gz HQAKWOPHUVFDFN-ONGXBYRLSA-N 2 0 321.468 3.787 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000423460914 1027555195 /nfs/dbraw/zinc/55/51/95/1027555195.db2.gz BTCQEKQZVKFPLT-GVXVVHGQSA-N 2 0 316.367 3.595 20 0 DHADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(OCC=C(C)C)cc1 ZINC000423465106 1027555671 /nfs/dbraw/zinc/55/56/71/1027555671.db2.gz MMNUXZKWWCZBBY-FUHWJXTLSA-N 2 0 304.478 3.680 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1-c1cccc(Cl)c1 ZINC000423464995 1027556236 /nfs/dbraw/zinc/55/62/36/1027556236.db2.gz WHZGXUDFCNKASX-STQMWFEESA-N 2 0 320.868 3.612 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)C1 ZINC000423461272 1027556263 /nfs/dbraw/zinc/55/62/63/1027556263.db2.gz BWZIUTFJUIXZHF-VLQPXKRTSA-N 2 0 320.452 3.543 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000423470545 1027559369 /nfs/dbraw/zinc/55/93/69/1027559369.db2.gz WLXXSAQXLYJHHM-ZOWXZIJZSA-N 2 0 300.368 3.874 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)c(C)c2c1 ZINC000423467407 1027559446 /nfs/dbraw/zinc/55/94/46/1027559446.db2.gz IVESWBGDKDEGGJ-SOUVJXGZSA-N 2 0 316.445 3.918 20 0 DHADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423478280 1027560599 /nfs/dbraw/zinc/56/05/99/1027560599.db2.gz KYZPBXLIEWWTAS-ZBFHGGJFSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423479673 1027561780 /nfs/dbraw/zinc/56/17/80/1027561780.db2.gz MJUHMFAJYOYGOE-IUODEOHRSA-N 2 0 300.368 3.888 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423475887 1027561592 /nfs/dbraw/zinc/56/15/92/1027561592.db2.gz IEVWHNOKYUYEAI-SJLPKXTDSA-N 2 0 306.881 3.783 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCCS2 ZINC000423481479 1027562933 /nfs/dbraw/zinc/56/29/33/1027562933.db2.gz WTFNQLMUMZLUAE-CKEIUWERSA-N 2 0 320.502 3.729 20 0 DHADRP CCc1ccccc1[C@@H](N)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423505252 1027567050 /nfs/dbraw/zinc/56/70/50/1027567050.db2.gz OEMAYADGGNQQBE-UZLBHIALSA-N 2 0 311.473 3.645 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423484196 1027571092 /nfs/dbraw/zinc/57/10/92/1027571092.db2.gz ZYWWGMROAHZUCH-OFQRWUPVSA-N 2 0 315.486 3.978 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OCC ZINC000423487883 1027571580 /nfs/dbraw/zinc/57/15/80/1027571580.db2.gz URKCWMRFYJDJIE-DOTOQJQBSA-N 2 0 320.477 3.667 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OCC ZINC000423487884 1027571654 /nfs/dbraw/zinc/57/16/54/1027571654.db2.gz URKCWMRFYJDJIE-NVXWUHKLSA-N 2 0 320.477 3.667 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423494797 1027573484 /nfs/dbraw/zinc/57/34/84/1027573484.db2.gz BAKWNVFBMOMQSA-NVXWUHKLSA-N 2 0 315.486 3.899 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000423495219 1027574783 /nfs/dbraw/zinc/57/47/83/1027574783.db2.gz UBAJPEBWACVNSA-IOASZLSFSA-N 2 0 300.471 3.996 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000423519495 1027578464 /nfs/dbraw/zinc/57/84/64/1027578464.db2.gz PUXWJFZAGLSDRK-VQTJNVASSA-N 2 0 310.441 3.839 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1O ZINC000423524905 1027579945 /nfs/dbraw/zinc/57/99/45/1027579945.db2.gz XMUYPQCFKIZXKY-PBHICJAKSA-N 2 0 314.429 3.532 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1O ZINC000423524918 1027580347 /nfs/dbraw/zinc/58/03/47/1027580347.db2.gz XMUYPQCFKIZXKY-YOEHRIQHSA-N 2 0 314.429 3.532 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423539327 1027582861 /nfs/dbraw/zinc/58/28/61/1027582861.db2.gz OTPHSGZVSYWGHH-QGZVFWFLSA-N 2 0 320.864 3.762 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(OC)cc1 ZINC000423540638 1027584227 /nfs/dbraw/zinc/58/42/27/1027584227.db2.gz KEEARXSXQWDHIH-FAJBIJEISA-N 2 0 302.462 3.514 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(OC(F)F)cc1 ZINC000423538969 1027584531 /nfs/dbraw/zinc/58/45/31/1027584531.db2.gz HKZYONCIBNLCIA-HWMZRRJGSA-N 2 0 324.415 3.717 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CCC3=CC[NH2+]CC3)ccc2c1 ZINC000423568612 1027586147 /nfs/dbraw/zinc/58/61/47/1027586147.db2.gz VRPZHFMVWDMPOU-HNNXBMFYSA-N 2 0 310.441 3.809 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423547224 1027586994 /nfs/dbraw/zinc/58/69/94/1027586994.db2.gz PRMMGAQOSAAXLX-DSLXNQLJSA-N 2 0 316.489 3.760 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(Br)cc2)CC[N@@H+]1C ZINC000296308810 1027603364 /nfs/dbraw/zinc/60/33/64/1027603364.db2.gz GFKFPSSZKRPOOY-GJZCMGGKSA-N 2 0 323.278 3.535 20 0 DHADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCCC1 ZINC000932805193 1027611920 /nfs/dbraw/zinc/61/19/20/1027611920.db2.gz UFKXXZWOXKABQW-MQVJKMGUSA-N 2 0 300.437 3.761 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000576419397 1027612091 /nfs/dbraw/zinc/61/20/91/1027612091.db2.gz QRPOZAPHDVNXIK-IERDGZPVSA-N 2 0 324.468 3.965 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cncc(F)c2)CC1)CC(C)C ZINC000576776784 1027659940 /nfs/dbraw/zinc/65/99/40/1027659940.db2.gz CQFOZYHQQADUIL-UHFFFAOYSA-N 2 0 321.484 3.801 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000577073345 1027702927 /nfs/dbraw/zinc/70/29/27/1027702927.db2.gz OOPVFNASLCGYRN-OLZOCXBDSA-N 2 0 304.434 3.866 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2c1C ZINC000577131653 1027715470 /nfs/dbraw/zinc/71/54/70/1027715470.db2.gz WEAFVCDCVBTHID-ILZDJORESA-N 2 0 311.473 3.747 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000296738934 1027723575 /nfs/dbraw/zinc/72/35/75/1027723575.db2.gz OTHUGAHNQZSJSR-KRWDZBQOSA-N 2 0 318.505 3.516 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000527519329 1027745507 /nfs/dbraw/zinc/74/55/07/1027745507.db2.gz VABKEXZOBJVBAQ-RFQIPJPRSA-N 2 0 312.910 3.825 20 0 DHADRP C[C@H]1C[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094503 1027758812 /nfs/dbraw/zinc/75/88/12/1027758812.db2.gz UXKLGBXVQQCXKX-WNHJNPCNSA-N 2 0 308.510 3.706 20 0 DHADRP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000159323300 1027822959 /nfs/dbraw/zinc/82/29/59/1027822959.db2.gz GZGMGRZPBOWVMJ-UHFFFAOYSA-N 2 0 304.331 3.546 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000527806860 1027892538 /nfs/dbraw/zinc/89/25/38/1027892538.db2.gz FXPNOXHJDLRLQL-IPYPFGDCSA-N 2 0 304.400 3.714 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000527807959 1027894201 /nfs/dbraw/zinc/89/42/01/1027894201.db2.gz OGVNHVJTZKXXDU-SFHVURJKSA-N 2 0 302.462 3.580 20 0 DHADRP c1cncc(-c2cccc(C[NH2+]C[C@@H]3CCN3C3CCCC3)c2)c1 ZINC000527812294 1027900003 /nfs/dbraw/zinc/90/00/03/1027900003.db2.gz ZPLKTCFFTZVURK-NRFANRHFSA-N 2 0 321.468 3.855 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C(C)C)c2)CC1 ZINC000527860977 1027922512 /nfs/dbraw/zinc/92/25/12/1027922512.db2.gz WMXGMLOJSLMSOY-KRWDZBQOSA-N 2 0 318.505 3.962 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000563275065 1027971361 /nfs/dbraw/zinc/97/13/61/1027971361.db2.gz BNJZMBWPFXLDOU-QWFCFKBJSA-N 2 0 317.521 3.532 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([N@H+](Cc3ccncc3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170736325 1027980956 /nfs/dbraw/zinc/98/09/56/1027980956.db2.gz KPNMJYBRAGXYQR-YCEIQTCASA-N 2 0 313.489 3.588 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000577901571 1027984600 /nfs/dbraw/zinc/98/46/00/1027984600.db2.gz LGRPGNKKXHHURX-UHFFFAOYSA-N 2 0 308.416 3.532 20 0 DHADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000527929710 1027989920 /nfs/dbraw/zinc/98/99/20/1027989920.db2.gz HZTRJECKPZIDNI-RLLQIKCJSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527981509 1028003140 /nfs/dbraw/zinc/00/31/40/1028003140.db2.gz KFBNTHWMJFQFIW-HBFSDRIKSA-N 2 0 313.489 3.628 20 0 DHADRP CC1(C)CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000563440541 1028045569 /nfs/dbraw/zinc/04/55/69/1028045569.db2.gz MDGXBDZXHXXWPS-YTQUADARSA-N 2 0 322.537 3.703 20 0 DHADRP Cc1cnc([C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)s1 ZINC000366179591 1028056525 /nfs/dbraw/zinc/05/65/25/1028056525.db2.gz QLYSRUBXZCOTCA-HZPDHXFCSA-N 2 0 307.507 3.505 20 0 DHADRP Cc1cnc([C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC000366179587 1028059110 /nfs/dbraw/zinc/05/91/10/1028059110.db2.gz QLYSRUBXZCOTCA-CVEARBPZSA-N 2 0 307.507 3.505 20 0 DHADRP c1nc(C2CCCCC2)sc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578167027 1028077424 /nfs/dbraw/zinc/07/74/24/1028077424.db2.gz VMOBQFJWOMDZBD-DLBZAZTESA-N 2 0 319.518 3.669 20 0 DHADRP c1cc2c[nH+]cc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)c2[nH]1 ZINC001170752283 1028101720 /nfs/dbraw/zinc/10/17/20/1028101720.db2.gz LXLCEDWEXVETRI-SFHVURJKSA-N 2 0 320.440 3.682 20 0 DHADRP CO[C@H]1CC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000367367963 1028172214 /nfs/dbraw/zinc/17/22/14/1028172214.db2.gz OTYIDTNHRVCKJE-NBDWZHNGSA-N 2 0 316.489 3.587 20 0 DHADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCF)[C@@H]1c1cccs1 ZINC000367615134 1028213248 /nfs/dbraw/zinc/21/32/48/1028213248.db2.gz JYYBRIYRKGYZJN-KLZNWCGWSA-N 2 0 310.482 3.859 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-c2cncnc2)cc1 ZINC000367655982 1028222479 /nfs/dbraw/zinc/22/24/79/1028222479.db2.gz FFFCPCTVSWJOTC-UZLBHIALSA-N 2 0 324.472 3.669 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)no1 ZINC000367995898 1028272388 /nfs/dbraw/zinc/27/23/88/1028272388.db2.gz ODLXXAGJZSYPTM-KLAILNCOSA-N 2 0 305.466 3.677 20 0 DHADRP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000449086959 1028325954 /nfs/dbraw/zinc/32/59/54/1028325954.db2.gz DZAHKLBIJRBFAQ-PGYGNJIDSA-N 2 0 322.537 3.968 20 0 DHADRP COc1cc(C)ccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000449066609 1028327103 /nfs/dbraw/zinc/32/71/03/1028327103.db2.gz DGPCWKHBUVVKAH-UHFFFAOYSA-N 2 0 324.468 3.889 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449106232 1028353859 /nfs/dbraw/zinc/35/38/59/1028353859.db2.gz LEKUXTCKWDAZRO-MUYFXNHWSA-N 2 0 308.510 3.578 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449102327 1028356405 /nfs/dbraw/zinc/35/64/05/1028356405.db2.gz YBLODNCGFZSORU-AWEZNQCLSA-N 2 0 310.432 3.922 20 0 DHADRP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2ccccc21 ZINC000449090796 1028366968 /nfs/dbraw/zinc/36/69/68/1028366968.db2.gz OKKSTDBTTNQLFF-ZWKOTPCHSA-N 2 0 310.441 3.565 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449095112 1028368026 /nfs/dbraw/zinc/36/80/26/1028368026.db2.gz WGVRVWIJIJHMJO-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP Cc1csc(CN2CCC[C@H](n3ccnc3C(C)C)C2)n1 ZINC000368548452 1028369142 /nfs/dbraw/zinc/36/91/42/1028369142.db2.gz OIFREIKPHDZDDH-AWEZNQCLSA-N 2 0 304.463 3.609 20 0 DHADRP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000449120511 1028374676 /nfs/dbraw/zinc/37/46/76/1028374676.db2.gz DEPOJFUHVWTCPT-OALUTQOASA-N 2 0 320.521 3.722 20 0 DHADRP CC[C@@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000368611257 1028381547 /nfs/dbraw/zinc/38/15/47/1028381547.db2.gz HTCPQQQZHUHQQM-MSOLQXFVSA-N 2 0 322.537 3.778 20 0 DHADRP CC[C@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000368611259 1028381980 /nfs/dbraw/zinc/38/19/80/1028381980.db2.gz HTCPQQQZHUHQQM-ROUUACIJSA-N 2 0 322.537 3.778 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449132498 1028383589 /nfs/dbraw/zinc/38/35/89/1028383589.db2.gz UQRIOSNUUUSEAD-ZJRDLVKKSA-N 2 0 322.537 3.967 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000368612671 1028385698 /nfs/dbraw/zinc/38/56/98/1028385698.db2.gz ICSVSUHULFAIKF-FPCVCCKLSA-N 2 0 322.855 3.942 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449130888 1028386030 /nfs/dbraw/zinc/38/60/30/1028386030.db2.gz IOUILAQRVAAAMF-GJZGRUSLSA-N 2 0 310.432 3.778 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CCc2ccc(F)cc2Cl)CC1 ZINC000579363100 1028391859 /nfs/dbraw/zinc/39/18/59/1028391859.db2.gz DVHSZVYNUZQWEJ-UHFFFAOYSA-N 2 0 312.860 3.828 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000449144870 1028398561 /nfs/dbraw/zinc/39/85/61/1028398561.db2.gz VARUITLGIJSLQI-UHFFFAOYSA-N 2 0 310.526 3.560 20 0 DHADRP Cc1cnc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000449155887 1028408624 /nfs/dbraw/zinc/40/86/24/1028408624.db2.gz CHYZQHLDPGFXFI-CJNGLKHVSA-N 2 0 321.515 3.686 20 0 DHADRP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449168087 1028412760 /nfs/dbraw/zinc/41/27/60/1028412760.db2.gz LUSAKTKFVDJLHY-KRWDZBQOSA-N 2 0 312.542 3.662 20 0 DHADRP CO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)C ZINC000449172096 1028414889 /nfs/dbraw/zinc/41/48/89/1028414889.db2.gz JKFBYQUFUBGLLR-KRWDZBQOSA-N 2 0 312.542 3.926 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000449173153 1028415061 /nfs/dbraw/zinc/41/50/61/1028415061.db2.gz WQSSTIDDDOYYQO-JKSUJKDBSA-N 2 0 310.526 3.680 20 0 DHADRP CC[C@@H](CCO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449192374 1028431298 /nfs/dbraw/zinc/43/12/98/1028431298.db2.gz LOGQCQKERZUHLD-INIZCTEOSA-N 2 0 312.542 3.664 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000449215787 1028460582 /nfs/dbraw/zinc/46/05/82/1028460582.db2.gz OLCTXOHFQVARQL-JCNLHEQBSA-N 2 0 310.526 3.559 20 0 DHADRP CC(C)COc1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000449229541 1028468026 /nfs/dbraw/zinc/46/80/26/1028468026.db2.gz BXAIPPZAOJTDFD-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000449230994 1028469046 /nfs/dbraw/zinc/46/90/46/1028469046.db2.gz NFXRNBGJGZUYML-OAHLLOKOSA-N 2 0 300.446 3.685 20 0 DHADRP C[C@H]1[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC[N@@H+]1C ZINC000449232842 1028473286 /nfs/dbraw/zinc/47/32/86/1028473286.db2.gz JGPHDIVYDHBMAO-FUHWJXTLSA-N 2 0 323.569 3.738 20 0 DHADRP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc2ccccc21 ZINC000449266890 1028494467 /nfs/dbraw/zinc/49/44/67/1028494467.db2.gz XNABUWCFKDZTMU-UHFFFAOYSA-N 2 0 324.468 3.909 20 0 DHADRP Clc1ccc([C@H]2CCC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000564791774 1028500968 /nfs/dbraw/zinc/50/09/68/1028500968.db2.gz DGZXEZWKZUZTHC-FUHWJXTLSA-N 2 0 306.881 3.955 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000564827837 1028507556 /nfs/dbraw/zinc/50/75/56/1028507556.db2.gz RUYQWFAMTIPWEG-UHOSZYNNSA-N 2 0 304.453 3.543 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000449327443 1028533568 /nfs/dbraw/zinc/53/35/68/1028533568.db2.gz BGZBRSABDLKRFY-SUMDDJOVSA-N 2 0 304.453 3.562 20 0 DHADRP COc1cc2ccccc2cc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000449327812 1028538162 /nfs/dbraw/zinc/53/81/62/1028538162.db2.gz CTDSOGIGERNIKX-AZUAARDMSA-N 2 0 324.468 3.765 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000449311914 1028546227 /nfs/dbraw/zinc/54/62/27/1028546227.db2.gz OKVVVPPECACLRG-HXUWFJFHSA-N 2 0 316.489 3.828 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000449317453 1028548815 /nfs/dbraw/zinc/54/88/15/1028548815.db2.gz CIEQRQQENDHFHM-KBPBESRZSA-N 2 0 302.453 3.909 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cc1 ZINC000565276934 1028568222 /nfs/dbraw/zinc/56/82/22/1028568222.db2.gz QOMYFFCSNOKKSJ-ILRDRHFLSA-N 2 0 304.478 3.506 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000449376755 1028584470 /nfs/dbraw/zinc/58/44/70/1028584470.db2.gz PALKHVAPFZOOOT-DHKMZYSQSA-N 2 0 316.464 3.767 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@@H]2CCCOCC2)CC1 ZINC001170800159 1028615268 /nfs/dbraw/zinc/61/52/68/1028615268.db2.gz UTUVSMDZPPOINM-GUDVDZBRSA-N 2 0 308.510 3.708 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000449400413 1028616975 /nfs/dbraw/zinc/61/69/75/1028616975.db2.gz BLQIIRURDFXAKR-YLJYHZDGSA-N 2 0 309.457 3.533 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1cccs1 ZINC000370676280 1028634766 /nfs/dbraw/zinc/63/47/66/1028634766.db2.gz IVYBQAUWIIJTGN-WCXIOVBPSA-N 2 0 322.518 3.678 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1CC[NH2+]CC1 ZINC000566088052 1028678477 /nfs/dbraw/zinc/67/84/77/1028678477.db2.gz RQKXYMAWGKRAAD-OAHLLOKOSA-N 2 0 313.489 3.813 20 0 DHADRP CCC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)(C)C ZINC000449465546 1028682279 /nfs/dbraw/zinc/68/22/79/1028682279.db2.gz DSKWPJMKAYULDG-KRWDZBQOSA-N 2 0 300.450 3.880 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228855 1028690099 /nfs/dbraw/zinc/69/00/99/1028690099.db2.gz BJQHGJCAAQFVAM-KSSFIOAISA-N 2 0 304.503 3.717 20 0 DHADRP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000371486412 1028722550 /nfs/dbraw/zinc/72/25/50/1028722550.db2.gz WPHNLBORXIYCNO-UYAOXDASSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000449505969 1028730283 /nfs/dbraw/zinc/73/02/83/1028730283.db2.gz ZUDPPBPWCVCWRY-XLIONFOSSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Oc2ccccc2)cn1 ZINC000566555845 1028745235 /nfs/dbraw/zinc/74/52/35/1028745235.db2.gz OLKLCZHBJGVQDD-ARFHVFGLSA-N 2 0 311.429 3.652 20 0 DHADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449524556 1028752644 /nfs/dbraw/zinc/75/26/44/1028752644.db2.gz RCVVWIBEVTXTPY-IAGOWNOFSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(SC(F)F)cc2)CC[N@@H+]1C ZINC000781632903 1028763313 /nfs/dbraw/zinc/76/33/13/1028763313.db2.gz ZNMSZHATVKPGCQ-WCQYABFASA-N 2 0 300.418 3.574 20 0 DHADRP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449646123 1028877841 /nfs/dbraw/zinc/87/78/41/1028877841.db2.gz NHMOUFBFWHDMCF-IAGOWNOFSA-N 2 0 312.542 3.805 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000567403891 1028887978 /nfs/dbraw/zinc/88/79/78/1028887978.db2.gz VMIAWCRBZJZCCP-GGPKGHCWSA-N 2 0 323.569 3.740 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000372971800 1028925699 /nfs/dbraw/zinc/92/56/99/1028925699.db2.gz ARHHADCHANIKTG-XDQVBPFNSA-N 2 0 312.910 3.825 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000628190979 1028931135 /nfs/dbraw/zinc/93/11/35/1028931135.db2.gz WJEOUWJSNNAALO-XLIONFOSSA-N 2 0 309.457 3.617 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000628209504 1028940031 /nfs/dbraw/zinc/94/00/31/1028940031.db2.gz IFHZNBYIHJLGCV-SFHVURJKSA-N 2 0 306.519 3.902 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000567869946 1028965755 /nfs/dbraw/zinc/96/57/55/1028965755.db2.gz NBNNWDHPAHUHDU-SFHVURJKSA-N 2 0 304.503 3.717 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000567869945 1028966343 /nfs/dbraw/zinc/96/63/43/1028966343.db2.gz NBNNWDHPAHUHDU-GOSISDBHSA-N 2 0 304.503 3.717 20 0 DHADRP CC(C)N1CCc2nc(C[NH2+][C@@H](C)C3CCCC3)sc2C1 ZINC000449754146 1028975686 /nfs/dbraw/zinc/97/56/86/1028975686.db2.gz KVVYUAQTGDBCTR-ZDUSSCGKSA-N 2 0 307.507 3.578 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449756215 1028978339 /nfs/dbraw/zinc/97/83/39/1028978339.db2.gz OWNDLVISTACVBL-WZGPROSRSA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449756212 1028978551 /nfs/dbraw/zinc/97/85/51/1028978551.db2.gz OWNDLVISTACVBL-JCHJZTRSSA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000568030178 1028997117 /nfs/dbraw/zinc/99/71/17/1028997117.db2.gz LHKNWQJYYMHLSW-HNNXBMFYSA-N 2 0 308.441 3.579 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C12CCCCC2 ZINC000568544263 1029088777 /nfs/dbraw/zinc/08/87/77/1029088777.db2.gz ZKDIUHMUAFYOFH-OPQOLIRYSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cncs2)CC1 ZINC000411345651 1029111378 /nfs/dbraw/zinc/11/13/78/1029111378.db2.gz LEPYQPNAFQWVKM-MRXNPFEDSA-N 2 0 321.534 3.662 20 0 DHADRP C[NH+](C)CCCC1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411422021 1029125612 /nfs/dbraw/zinc/12/56/12/1029125612.db2.gz IZGYQIPUZMOBLO-OALUTQOASA-N 2 0 304.453 3.735 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1sccc1Br ZINC000568856694 1029134893 /nfs/dbraw/zinc/13/48/93/1029134893.db2.gz TVBRXFNMMFYUDK-VHSXEESVSA-N 2 0 305.285 3.679 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000568943677 1029150111 /nfs/dbraw/zinc/15/01/11/1029150111.db2.gz FPWWVGDAZCCIMV-KGLIPLIRSA-N 2 0 314.395 3.568 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(C)(F)F)C2)s1 ZINC000569248948 1029201665 /nfs/dbraw/zinc/20/16/65/1029201665.db2.gz PQZQVTLYWNABPZ-CQSZACIVSA-N 2 0 316.461 3.856 20 0 DHADRP COC1([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000817579104 1029207181 /nfs/dbraw/zinc/20/71/81/1029207181.db2.gz UKKOUKYZNUFETO-AOCRQIFASA-N 2 0 308.510 3.721 20 0 DHADRP FCC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411787087 1029208335 /nfs/dbraw/zinc/20/83/35/1029208335.db2.gz MGGBDPOOMIYNFF-UHFFFAOYSA-N 2 0 304.453 3.854 20 0 DHADRP FCC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411790672 1029208957 /nfs/dbraw/zinc/20/89/57/1029208957.db2.gz PGNMYGNGWNIPKX-UHFFFAOYSA-N 2 0 304.453 3.854 20 0 DHADRP CCCCc1nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000374173028 1029225860 /nfs/dbraw/zinc/22/58/60/1029225860.db2.gz GNJTZCYDSASZMB-UHFFFAOYSA-N 2 0 321.534 3.794 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000120423941 1029234052 /nfs/dbraw/zinc/23/40/52/1029234052.db2.gz FQKBFCXNOBFMQG-YJBOKZPZSA-N 2 0 322.518 3.563 20 0 DHADRP Cc1cccc(C)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817908191 1029271999 /nfs/dbraw/zinc/27/19/99/1029271999.db2.gz PUFVZIVABGLWQW-FPOVZHCZSA-N 2 0 322.452 3.649 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900119 1029272091 /nfs/dbraw/zinc/27/20/91/1029272091.db2.gz LPYLKIDLXDFSMU-SOAISFHBSA-N 3 0 321.553 3.684 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCC2 ZINC000817922522 1029276984 /nfs/dbraw/zinc/27/69/84/1029276984.db2.gz XPNGFHMGHJTXFL-KCYZZUKISA-N 2 0 319.518 3.729 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000817936133 1029279391 /nfs/dbraw/zinc/27/93/91/1029279391.db2.gz GQUHKJZIZWZZQL-RDBSUJKOSA-N 2 0 307.309 3.861 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000817947655 1029288210 /nfs/dbraw/zinc/28/82/10/1029288210.db2.gz DWYAAJOCFIWCRK-QGZVFWFLSA-N 2 0 316.445 3.654 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817946996 1029291355 /nfs/dbraw/zinc/29/13/55/1029291355.db2.gz JGEDKCNTCNLXPG-MRXNPFEDSA-N 2 0 312.457 3.827 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)CCCC2 ZINC000817948874 1029291498 /nfs/dbraw/zinc/29/14/98/1029291498.db2.gz LYYWCIXTZBFVOA-INIZCTEOSA-N 2 0 308.469 3.917 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1F ZINC000817948974 1029291673 /nfs/dbraw/zinc/29/16/73/1029291673.db2.gz MUHOUIHOAJSWTB-CYBMUJFWSA-N 2 0 318.461 3.900 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cnc2ccsc2c1 ZINC000817950541 1029291822 /nfs/dbraw/zinc/29/18/22/1029291822.db2.gz ZPTJXVQOGCZYKL-CYBMUJFWSA-N 2 0 311.454 3.648 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1C ZINC000817950519 1029292072 /nfs/dbraw/zinc/29/20/72/1029292072.db2.gz ZDJWFTADMYZNBH-INIZCTEOSA-N 2 0 312.457 3.664 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000817949226 1029292391 /nfs/dbraw/zinc/29/23/91/1029292391.db2.gz PSQVOUCKKCIMOU-UHFFFAOYSA-N 2 0 316.489 3.548 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817960647 1029299206 /nfs/dbraw/zinc/29/92/06/1029299206.db2.gz OVZAAFHFNPLQOW-RBZYPMLTSA-N 2 0 316.276 3.744 20 0 DHADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000570043336 1029305088 /nfs/dbraw/zinc/30/50/88/1029305088.db2.gz UVSFARUBISUIRX-HNNXBMFYSA-N 2 0 323.440 3.554 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000817965970 1029307975 /nfs/dbraw/zinc/30/79/75/1029307975.db2.gz FOTOIFWITOOTGJ-SUMWQHHRSA-N 2 0 310.869 3.697 20 0 DHADRP CC(C)c1ccc(C2(O)CCC([NH2+][C@H](C)CCC[NH3+])CC2)cc1 ZINC000817978068 1029318013 /nfs/dbraw/zinc/31/80/13/1029318013.db2.gz VATVTDIMGXCLER-PBPGXSGUSA-N 2 0 318.505 3.657 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccnc(Cl)c1 ZINC000817982679 1029318898 /nfs/dbraw/zinc/31/88/98/1029318898.db2.gz VJABNZPGNPSQKB-CJNGLKHVSA-N 2 0 303.837 3.866 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817982150 1029319815 /nfs/dbraw/zinc/31/98/15/1029319815.db2.gz YJSXQABMTHSCJE-ZYHUDNBSSA-N 2 0 316.276 3.758 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000817983911 1029319829 /nfs/dbraw/zinc/31/98/29/1029319829.db2.gz LKBLYHBPVSVJQD-UCRBLCQZSA-N 2 0 310.551 3.650 20 0 DHADRP CC(C)CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629521620 1029356663 /nfs/dbraw/zinc/35/66/63/1029356663.db2.gz PFWJAGFHVQRYEE-QGZVFWFLSA-N 2 0 324.896 3.915 20 0 DHADRP Cc1ccc2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc2c1 ZINC000629544191 1029365148 /nfs/dbraw/zinc/36/51/48/1029365148.db2.gz HWBFVZPMKOKBTF-IBGZPJMESA-N 2 0 323.484 3.755 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000570442262 1029366463 /nfs/dbraw/zinc/36/64/63/1029366463.db2.gz ZZGSQYDEUBJADH-IWKCEXAMSA-N 2 0 304.453 3.687 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000629549646 1029368084 /nfs/dbraw/zinc/36/80/84/1029368084.db2.gz SZPBABBDFDSWIF-SZXPJGKVSA-N 2 0 304.865 3.695 20 0 DHADRP FC(F)(F)[C@H]1CCN(CCC[NH+]2CCCCC2)CC12CCC2 ZINC000374552863 1029384407 /nfs/dbraw/zinc/38/44/07/1029384407.db2.gz SMHPUOMRFOHHEF-HNNXBMFYSA-N 2 0 318.427 3.917 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529542620 1029385852 /nfs/dbraw/zinc/38/58/52/1029385852.db2.gz QNWNOGOCWHEQAE-ZMSDIMECSA-N 2 0 322.443 3.920 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529539229 1029401397 /nfs/dbraw/zinc/40/13/97/1029401397.db2.gz UQLLRWXKZWOYBX-RDJZCZTQSA-N 2 0 322.443 3.574 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000529555613 1029411000 /nfs/dbraw/zinc/41/10/00/1029411000.db2.gz IBYKWALDPIWOHS-CJNGLKHVSA-N 2 0 300.437 3.807 20 0 DHADRP C[NH+](C)CCOc1cccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC000629701745 1029429431 /nfs/dbraw/zinc/42/94/31/1029429431.db2.gz ZMDUXHJLBHEWTM-HXUWFJFHSA-N 2 0 310.441 3.719 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)COCc1ccccc1 ZINC000389923404 1029436288 /nfs/dbraw/zinc/43/62/88/1029436288.db2.gz UETYWGFBUGAJAP-CDHQVMDDSA-N 2 0 310.441 3.574 20 0 DHADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229548 1029553447 /nfs/dbraw/zinc/55/34/47/1029553447.db2.gz NMCKSZDREQLEQL-OAHAVBBTSA-N 2 0 322.537 3.704 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccc(F)c3C2)c1 ZINC001170948342 1029731564 /nfs/dbraw/zinc/73/15/64/1029731564.db2.gz GHNKDYBSPDNXCW-SFHVURJKSA-N 2 0 312.432 3.534 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170948335 1029731575 /nfs/dbraw/zinc/73/15/75/1029731575.db2.gz GDVKENHVTNHFDT-KRWDZBQOSA-N 2 0 304.453 3.667 20 0 DHADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811678 1029769626 /nfs/dbraw/zinc/76/96/26/1029769626.db2.gz ULJVGPBWRDMCDV-UONOGXRCSA-N 2 0 315.461 3.635 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000530219316 1029782741 /nfs/dbraw/zinc/78/27/41/1029782741.db2.gz PECUWBJZKLJKNR-RRFJBIMHSA-N 2 0 302.453 3.958 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530215714 1029785035 /nfs/dbraw/zinc/78/50/35/1029785035.db2.gz IEXZZWRACWVYIG-DLBZAZTESA-N 2 0 304.865 3.535 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[C@H]1CC=CCC1 ZINC000530217497 1029785141 /nfs/dbraw/zinc/78/51/41/1029785141.db2.gz BSJHOUPYWPYSRY-XKGZKEIXSA-N 2 0 312.457 3.578 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)C[C@@](C)(C[NH3+])C1 ZINC001170956346 1029792498 /nfs/dbraw/zinc/79/24/98/1029792498.db2.gz VWFPLQDMDJOUOL-TWOQFEAHSA-N 2 0 318.480 3.816 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1(C)C ZINC001170960934 1029822868 /nfs/dbraw/zinc/82/28/68/1029822868.db2.gz JHXXGSVGTRZATN-OAHLLOKOSA-N 2 0 318.480 3.924 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170976483 1029928103 /nfs/dbraw/zinc/92/81/03/1029928103.db2.gz VKOCLUIFLQKNIB-ADKAHSJRSA-N 2 0 318.480 3.926 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170978350 1029946540 /nfs/dbraw/zinc/94/65/40/1029946540.db2.gz UUWCYLYGUIZCGI-NVXWUHKLSA-N 2 0 304.453 3.524 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000865765832 1030013527 /nfs/dbraw/zinc/01/35/27/1030013527.db2.gz NYBWLYHUWMATRD-UHFFFAOYSA-N 2 0 312.404 3.641 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865765063 1030014040 /nfs/dbraw/zinc/01/40/40/1030014040.db2.gz SWKSCDXWJOTYNQ-UHFFFAOYSA-N 2 0 316.276 3.741 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000865765475 1030014387 /nfs/dbraw/zinc/01/43/87/1030014387.db2.gz WQVZVVSCJBBWAP-IHJVYAAUSA-N 2 0 315.505 3.960 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000865765522 1030015461 /nfs/dbraw/zinc/01/54/61/1030015461.db2.gz YOZSLYJHUOPAAK-UHFFFAOYSA-N 2 0 309.523 3.793 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290420744 1030042590 /nfs/dbraw/zinc/04/25/90/1030042590.db2.gz USCCXPXQOWFJRU-IEBWSBKVSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)CC[NH2+]1 ZINC001246201386 1030097748 /nfs/dbraw/zinc/09/77/48/1030097748.db2.gz GZRWFQYPZDNSRJ-WFASDCNBSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1(Br)CC1 ZINC000924686561 1030160950 /nfs/dbraw/zinc/16/09/50/1030160950.db2.gz LWVLVMFHUSWHAH-UONOGXRCSA-N 2 0 317.315 3.547 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000924704668 1030166512 /nfs/dbraw/zinc/16/65/12/1030166512.db2.gz GTHYCOWOISGLGZ-CVEARBPZSA-N 2 0 306.519 3.661 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924712024 1030168293 /nfs/dbraw/zinc/16/82/93/1030168293.db2.gz HTJCINBNQHDVCA-ZDUSSCGKSA-N 2 0 303.837 3.647 20 0 DHADRP C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866228431 1030168961 /nfs/dbraw/zinc/16/89/61/1030168961.db2.gz HGVHFMVSJCOUCZ-VXGBXAGGSA-N 2 0 319.836 3.616 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000866234682 1030170340 /nfs/dbraw/zinc/17/03/40/1030170340.db2.gz WASDBCFOXYQWLD-QZTJIDSGSA-N 2 0 303.494 3.647 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000866233967 1030170875 /nfs/dbraw/zinc/17/08/75/1030170875.db2.gz IGLFDTPKXFHDKH-LJQANCHMSA-N 2 0 303.494 3.880 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000866232656 1030171550 /nfs/dbraw/zinc/17/15/50/1030171550.db2.gz AGDAOGJIMUDBSI-SFHVURJKSA-N 2 0 303.494 3.504 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CCCCn2ccnc2)c2ccccn2)cc1 ZINC000924730846 1030173068 /nfs/dbraw/zinc/17/30/68/1030173068.db2.gz HMENDXYHKXNRQG-HXUWFJFHSA-N 2 0 320.440 3.746 20 0 DHADRP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000866239469 1030173624 /nfs/dbraw/zinc/17/36/24/1030173624.db2.gz XIPHHDSWEJVYNH-UEILYKACSA-N 2 0 302.437 3.666 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)CCC2 ZINC000357846884 1030218938 /nfs/dbraw/zinc/21/89/38/1030218938.db2.gz IZFOJYHZISTXLP-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc2ccccc21 ZINC000924963495 1030238138 /nfs/dbraw/zinc/23/81/38/1030238138.db2.gz JXPXBOXTTOHENZ-HNNXBMFYSA-N 2 0 312.457 3.841 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866337988 1030238256 /nfs/dbraw/zinc/23/82/56/1030238256.db2.gz WACLFYOUKPBLOK-LBPRGKRZSA-N 2 0 321.852 3.864 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866351723 1030248833 /nfs/dbraw/zinc/24/88/33/1030248833.db2.gz MGLAGOPMBHOBQC-CTNGQTDRSA-N 2 0 323.484 3.890 20 0 DHADRP CC(C)(C)OCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246045750 1030257146 /nfs/dbraw/zinc/25/71/46/1030257146.db2.gz AQBZBABBUUUUMS-MOPGFXCFSA-N 2 0 316.489 3.718 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171017173 1030297546 /nfs/dbraw/zinc/29/75/46/1030297546.db2.gz GCJKVOCKOOLHPF-MRXNPFEDSA-N 2 0 306.881 3.519 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000557802741 1030299301 /nfs/dbraw/zinc/29/93/01/1030299301.db2.gz FIUMCNITGRFTFH-ICSRJNTNSA-N 2 0 318.505 3.530 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171018584 1030304852 /nfs/dbraw/zinc/30/48/52/1030304852.db2.gz UJCAUCTXLRRMQE-INIZCTEOSA-N 2 0 306.881 3.661 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000866478430 1030312963 /nfs/dbraw/zinc/31/29/63/1030312963.db2.gz IDGQLSKDRCHYCG-MAUKXSAKSA-N 2 0 322.518 3.563 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000358086147 1030320036 /nfs/dbraw/zinc/32/00/36/1030320036.db2.gz OLPQKTNNRDPPLU-QWHCGFSZSA-N 2 0 303.475 3.729 20 0 DHADRP COC(C)(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000866504427 1030329016 /nfs/dbraw/zinc/32/90/16/1030329016.db2.gz GYJILQJYNBHMLQ-LDLYASANSA-N 2 0 316.489 3.587 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246147398 1030332790 /nfs/dbraw/zinc/33/27/90/1030332790.db2.gz BRUOYYRSOIDVSS-SJORKVTESA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171023475 1030348496 /nfs/dbraw/zinc/34/84/96/1030348496.db2.gz YBTIPTCKGPGFJT-KRWDZBQOSA-N 2 0 320.908 3.909 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925395294 1030355521 /nfs/dbraw/zinc/35/55/21/1030355521.db2.gz UYWOOEVXTLAZJG-KKSFZXQISA-N 2 0 324.468 3.713 20 0 DHADRP Cc1cc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc[nH+]1 ZINC000358168781 1030358318 /nfs/dbraw/zinc/35/83/18/1030358318.db2.gz YUOJCYYNECJEAF-UHFFFAOYSA-N 2 0 309.457 3.656 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC000925492422 1030376089 /nfs/dbraw/zinc/37/60/89/1030376089.db2.gz IPAAGLKWDFBYBS-HKUYNNGSSA-N 2 0 310.526 3.538 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000925528512 1030387347 /nfs/dbraw/zinc/38/73/47/1030387347.db2.gz VMXXWLOJCPFSOC-NWINJMCUSA-N 2 0 306.416 3.851 20 0 DHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925546653 1030395334 /nfs/dbraw/zinc/39/53/34/1030395334.db2.gz LYRCGZGILDDVDB-RBUKOAKNSA-N 2 0 310.441 3.888 20 0 DHADRP C[C@@H]([NH2+][C@H](Cc1cccnc1)C1CCCC1)C1CC[NH+](C)CC1 ZINC000866607107 1030395845 /nfs/dbraw/zinc/39/58/45/1030395845.db2.gz AEAHAFOHRHHKKI-OXQOHEQNSA-N 2 0 315.505 3.503 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000925544385 1030396204 /nfs/dbraw/zinc/39/62/04/1030396204.db2.gz QOSWWPZVTBLQSG-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925564829 1030406460 /nfs/dbraw/zinc/40/64/60/1030406460.db2.gz VZNFFTJNPFVAGC-MAUKXSAKSA-N 2 0 302.462 3.501 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)cs1 ZINC000925564771 1030407505 /nfs/dbraw/zinc/40/75/05/1030407505.db2.gz MFENBCUARPDAES-KRWDZBQOSA-N 2 0 317.502 3.879 20 0 DHADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925607802 1030419986 /nfs/dbraw/zinc/41/99/86/1030419986.db2.gz DANHURHMAVZVMM-TUNPWDSISA-N 2 0 322.537 3.680 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000925622216 1030424037 /nfs/dbraw/zinc/42/40/37/1030424037.db2.gz LXEIOJBVQGRVSY-PMACEKPBSA-N 2 0 324.468 3.570 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000925624430 1030425195 /nfs/dbraw/zinc/42/51/95/1030425195.db2.gz XKKSTCHDLKTPRE-WOJBJXKFSA-N 2 0 312.457 3.570 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000925643787 1030432111 /nfs/dbraw/zinc/43/21/11/1030432111.db2.gz HVBMINYNVIBOLE-ROUUACIJSA-N 2 0 314.404 3.719 20 0 DHADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925681083 1030449856 /nfs/dbraw/zinc/44/98/56/1030449856.db2.gz VVJDDGBPHJXNGT-XAWIXRBMSA-N 2 0 310.551 3.666 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925700181 1030458543 /nfs/dbraw/zinc/45/85/43/1030458543.db2.gz ZYARTAHEKQRGCO-CFVMTHIKSA-N 2 0 306.416 3.723 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccc2c(c1)CCO2 ZINC000121693582 1030463557 /nfs/dbraw/zinc/46/35/57/1030463557.db2.gz GFEPXDSSXFUIGP-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc2ncccc12)c1ccccc1 ZINC000925728771 1030467373 /nfs/dbraw/zinc/46/73/73/1030467373.db2.gz HVWMXTLTWHCUET-LJQANCHMSA-N 2 0 305.425 3.805 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000558221199 1030474062 /nfs/dbraw/zinc/47/40/62/1030474062.db2.gz FCRPGUPWRMUBDH-SMOSDQRPSA-N 2 0 316.489 3.574 20 0 DHADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000925741516 1030475028 /nfs/dbraw/zinc/47/50/28/1030475028.db2.gz UCWWKZVQHNCSGY-CQSZACIVSA-N 2 0 315.486 3.905 20 0 DHADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246307242 1030484609 /nfs/dbraw/zinc/48/46/09/1030484609.db2.gz DLXMFDUPZCJLHV-TZMCWYRMSA-N 2 0 300.899 3.784 20 0 DHADRP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925775881 1030492723 /nfs/dbraw/zinc/49/27/23/1030492723.db2.gz HXLMGMBVOVDSMP-BBRMVZONSA-N 2 0 308.416 3.634 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc2c(s1)CCCC2 ZINC000925780367 1030495727 /nfs/dbraw/zinc/49/57/27/1030495727.db2.gz FDCKFSMJIDBISV-AAEUAGOBSA-N 2 0 314.445 3.522 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925790877 1030498461 /nfs/dbraw/zinc/49/84/61/1030498461.db2.gz MLXDPNDQHSJOGU-IOASZLSFSA-N 2 0 315.486 3.625 20 0 DHADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000558256201 1030501036 /nfs/dbraw/zinc/50/10/36/1030501036.db2.gz IJVTXSVAONYUCZ-TXTZMMAHSA-N 2 0 320.427 3.530 20 0 DHADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000925802882 1030503125 /nfs/dbraw/zinc/50/31/25/1030503125.db2.gz SMCQFSMLXAHUHA-AKONKWBKSA-N 2 0 308.535 3.561 20 0 DHADRP CSC1CCC(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925803411 1030503840 /nfs/dbraw/zinc/50/38/40/1030503840.db2.gz ZIAFIUOCGOKATM-DQVOVIAYSA-N 2 0 310.551 3.666 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccs2)[C@@H](C)C1 ZINC000246392127 1030507813 /nfs/dbraw/zinc/50/78/13/1030507813.db2.gz AYTHYABSPIZFLN-XHSDSOJGSA-N 2 0 310.507 3.536 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558275856 1030512996 /nfs/dbraw/zinc/51/29/96/1030512996.db2.gz DJMJWEZMDJSSAZ-VKSUQKOCSA-N 2 0 316.489 3.551 20 0 DHADRP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000925840003 1030516432 /nfs/dbraw/zinc/51/64/32/1030516432.db2.gz UTNWAPMCJZBKGQ-ICUGJSFKSA-N 2 0 320.427 3.546 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000925886705 1030535240 /nfs/dbraw/zinc/53/52/40/1030535240.db2.gz KACZXRAWWGNPIV-NJYVYQBISA-N 2 0 306.453 3.786 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887380 1030535289 /nfs/dbraw/zinc/53/52/89/1030535289.db2.gz BCISVMNEVAYYHY-LMMKCTJWSA-N 2 0 314.498 3.718 20 0 DHADRP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887924 1030537773 /nfs/dbraw/zinc/53/77/73/1030537773.db2.gz OZLSGPNTRGDBGR-IDPBPBMLSA-N 2 0 308.469 3.827 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@@H](C[N@@H+](C)CC)C2)c1C ZINC000558521302 1030618773 /nfs/dbraw/zinc/61/87/73/1030618773.db2.gz BZWJUDWHRWQTKY-INIZCTEOSA-N 2 0 311.473 3.884 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926138260 1030631020 /nfs/dbraw/zinc/63/10/20/1030631020.db2.gz LZAMGQZMTVFGHV-IKGGRYGDSA-N 2 0 304.478 3.604 20 0 DHADRP Cc1csc([C@H](C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926151209 1030633846 /nfs/dbraw/zinc/63/38/46/1030633846.db2.gz TUIMCJQCTDKAKD-HIFRSBDPSA-N 2 0 317.502 3.967 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926175085 1030642478 /nfs/dbraw/zinc/64/24/78/1030642478.db2.gz NULRKGWATBKCHD-APWZRJJASA-N 2 0 304.478 3.748 20 0 DHADRP COCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000339084664 1030673405 /nfs/dbraw/zinc/67/34/05/1030673405.db2.gz LNFQYKSSCKYCDZ-VQIMIIECSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCOC1 ZINC000247073967 1030673568 /nfs/dbraw/zinc/67/35/68/1030673568.db2.gz OKWQAZOCJZSKEA-UWVAXJGDSA-N 2 0 316.489 3.576 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000247113730 1030687455 /nfs/dbraw/zinc/68/74/55/1030687455.db2.gz QSOJQIQZQIHYPN-OXQOHEQNSA-N 2 0 316.489 3.576 20 0 DHADRP FC1(F)CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000926283666 1030687673 /nfs/dbraw/zinc/68/76/73/1030687673.db2.gz AHSNHWCSXZNNHI-ZNXRZULTSA-N 2 0 320.427 3.959 20 0 DHADRP C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354190 1030707310 /nfs/dbraw/zinc/70/73/10/1030707310.db2.gz NTSQVLDLSZXKLN-CRAIPNDOSA-N 2 0 315.486 3.706 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000248031208 1030713896 /nfs/dbraw/zinc/71/38/96/1030713896.db2.gz QLDFKHKIHTXEDE-WIYYLYMNSA-N 2 0 323.484 3.514 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926415470 1030727129 /nfs/dbraw/zinc/72/71/29/1030727129.db2.gz JHVNLARRCQXMPM-KRWDZBQOSA-N 2 0 323.484 3.916 20 0 DHADRP C[NH+](C)CCC[N@H+](C)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074880 1030742690 /nfs/dbraw/zinc/74/26/90/1030742690.db2.gz VGIJGVHOIADDKX-CQSZACIVSA-N 2 0 315.288 3.734 20 0 DHADRP C[C@@H]1CC[C@H](C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)O1 ZINC000249053096 1030786204 /nfs/dbraw/zinc/78/62/04/1030786204.db2.gz IKGQDWYPAVHAIG-IZBJGVDFSA-N 2 0 316.489 3.539 20 0 DHADRP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000249152279 1030790551 /nfs/dbraw/zinc/79/05/51/1030790551.db2.gz VCXYKKGGVURINH-HLIPFELVSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926557048 1030797444 /nfs/dbraw/zinc/79/74/44/1030797444.db2.gz GCTSQTULEVTHDS-RDJZCZTQSA-N 2 0 304.478 3.604 20 0 DHADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(Br)c1 ZINC000336792692 1030800606 /nfs/dbraw/zinc/80/06/06/1030800606.db2.gz SZTVAQUUUAUQLG-WFASDCNBSA-N 2 0 313.283 3.688 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000926595672 1030817108 /nfs/dbraw/zinc/81/71/08/1030817108.db2.gz GZXCZCSNPAHPRY-MRXNPFEDSA-N 2 0 311.473 3.772 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000926605777 1030822320 /nfs/dbraw/zinc/82/23/20/1030822320.db2.gz XGBFQFDOXLUEQJ-ZUEPYMLJSA-N 2 0 307.869 3.575 20 0 DHADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1C(F)(F)F ZINC000359223085 1030850773 /nfs/dbraw/zinc/85/07/73/1030850773.db2.gz QMJMOLJPPXZVIX-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP Cc1cc(C)cc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2cccnc2)c1 ZINC000926665771 1030851776 /nfs/dbraw/zinc/85/17/76/1030851776.db2.gz LUPRNADWTALWLM-WMQCIHAUSA-N 2 0 323.484 3.718 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](CCC(C)C)CC2)nc1 ZINC000926751737 1030902456 /nfs/dbraw/zinc/90/24/56/1030902456.db2.gz AWIWAXYSGPQTST-UHFFFAOYSA-N 2 0 317.521 3.768 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000926786154 1030925002 /nfs/dbraw/zinc/92/50/02/1030925002.db2.gz CSYJCOZCFRGHFX-MRXNPFEDSA-N 2 0 318.509 3.769 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161584393 1030930058 /nfs/dbraw/zinc/93/00/58/1030930058.db2.gz AKLYCKXNPHXZBA-CKEIUWERSA-N 2 0 306.881 3.690 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000926812337 1030939434 /nfs/dbraw/zinc/93/94/34/1030939434.db2.gz LXGGKLHVMOAVDL-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc[nH+]c(C4CC4)c3)c2C1 ZINC001171099649 1030946876 /nfs/dbraw/zinc/94/68/76/1030946876.db2.gz OUNLZACMUQCEER-CQSZACIVSA-N 2 0 303.409 3.719 20 0 DHADRP [NH3+]CCC1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171108430 1030979506 /nfs/dbraw/zinc/97/95/06/1030979506.db2.gz IEZGDHYCSFLOFF-SYGMWZTRSA-N 2 0 306.881 3.695 20 0 DHADRP C[C@H](c1ccncc1)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)c1ccncc1 ZINC000255178929 1030981847 /nfs/dbraw/zinc/98/18/47/1030981847.db2.gz ZABXXYYOGUMVLG-SPCWZHTESA-N 2 0 324.472 3.719 20 0 DHADRP CN(CCC[NH+](C)C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143804400 1030982057 /nfs/dbraw/zinc/98/20/57/1030982057.db2.gz RGIRHOLJNNNWBH-UHFFFAOYSA-N 2 0 308.775 3.742 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171109763 1030989867 /nfs/dbraw/zinc/98/98/67/1030989867.db2.gz MGBNRLRZRQISSI-KZNAEPCWSA-N 2 0 306.881 3.660 20 0 DHADRP Cc1c[nH+]ccc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000359531622 1031010195 /nfs/dbraw/zinc/01/01/95/1031010195.db2.gz LIGAWHHDDBOIAQ-OAQYLSRUSA-N 2 0 321.468 3.883 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(OC)n1 ZINC000927035962 1031043353 /nfs/dbraw/zinc/04/33/53/1031043353.db2.gz DJGWYJIDUPPBHA-WUJZJPHMSA-N 2 0 317.477 3.538 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(C[NH+](C)C)c1 ZINC000927062186 1031058114 /nfs/dbraw/zinc/05/81/14/1031058114.db2.gz YKUISPMWTXMBKT-DNVCBOLYSA-N 2 0 309.457 3.871 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc(Cl)c3Cl)C[C@H]21 ZINC000261770386 1031061829 /nfs/dbraw/zinc/06/18/29/1031061829.db2.gz DQRUBGAALHJVIM-JMJZKYOTSA-N 2 0 305.274 3.614 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH+]1CCCC1)CCCO2 ZINC000359617832 1031063996 /nfs/dbraw/zinc/06/39/96/1031063996.db2.gz JLPIZIZLHJGRNQ-GOSISDBHSA-N 2 0 302.462 3.593 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000927128767 1031107295 /nfs/dbraw/zinc/10/72/95/1031107295.db2.gz MPAAZPYNTRXYIH-APWZRJJASA-N 2 0 316.489 3.891 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171134757 1031221810 /nfs/dbraw/zinc/22/18/10/1031221810.db2.gz ZLCVVGNJBYTOSD-AWEZNQCLSA-N 2 0 315.288 3.782 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccs1 ZINC000162558056 1031235494 /nfs/dbraw/zinc/23/54/94/1031235494.db2.gz MDANOAGFNHPKPA-KRWDZBQOSA-N 2 0 318.486 3.929 20 0 DHADRP CC1([NH3+])CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171147585 1031306931 /nfs/dbraw/zinc/30/69/31/1031306931.db2.gz GZWGGLQCVHEMBC-CYBMUJFWSA-N 2 0 313.272 3.664 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCOC1 ZINC000872019989 1031403740 /nfs/dbraw/zinc/40/37/40/1031403740.db2.gz BQQYEPNYBATZFU-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000844925195 1031403960 /nfs/dbraw/zinc/40/39/60/1031403960.db2.gz RWYZSTHBHYCDJH-MRXNPFEDSA-N 2 0 312.457 3.882 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc2c(c1)CCO2 ZINC000844927356 1031404378 /nfs/dbraw/zinc/40/43/78/1031404378.db2.gz ZEURSYOJZQHDEJ-LJQANCHMSA-N 2 0 310.441 3.582 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872021593 1031405314 /nfs/dbraw/zinc/40/53/14/1031405314.db2.gz CQYDQNVZHMFFSZ-SQNIBIBYSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872023845 1031407491 /nfs/dbraw/zinc/40/74/91/1031407491.db2.gz WDSXAKFVESBHRW-QRVBRYPASA-N 2 0 322.537 3.826 20 0 DHADRP C(C1CCCC1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872030023 1031414895 /nfs/dbraw/zinc/41/48/95/1031414895.db2.gz XTRTVKDGYIXMOG-IBGZPJMESA-N 2 0 320.521 3.722 20 0 DHADRP C(CC[NH2+][C@@H]1CCOC2(CCCC2)C1)CC[NH+]1CCCCC1 ZINC000872033384 1031417287 /nfs/dbraw/zinc/41/72/87/1031417287.db2.gz CVPMOUMLPUFYCM-GOSISDBHSA-N 2 0 308.510 3.724 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)ccc1F ZINC000872034560 1031418340 /nfs/dbraw/zinc/41/83/40/1031418340.db2.gz KAGDCXXYCMBGQR-WMZOPIPTSA-N 2 0 322.468 3.571 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872041313 1031425617 /nfs/dbraw/zinc/42/56/17/1031425617.db2.gz HHSUJEKWQJYPBD-LJQANCHMSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@H]1CCCOC1 ZINC000872042024 1031429172 /nfs/dbraw/zinc/42/91/72/1031429172.db2.gz MDUQSWNKFUMBON-RBUKOAKNSA-N 2 0 310.526 3.539 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666856479 1031431457 /nfs/dbraw/zinc/43/14/57/1031431457.db2.gz LBWXBLDIHNZFGG-GOSISDBHSA-N 2 0 310.441 3.594 20 0 DHADRP CC[C@@H](CCC(F)(F)F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000872044909 1031433170 /nfs/dbraw/zinc/43/31/70/1031433170.db2.gz HHIQWWFNGSHAAS-ZNMIVQPWSA-N 2 0 324.431 3.587 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872051814 1031441007 /nfs/dbraw/zinc/44/10/07/1031441007.db2.gz KPWGXBFJJULEML-KURKYZTESA-N 2 0 310.526 3.538 20 0 DHADRP Cc1cc(C)cc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000536855425 1031456744 /nfs/dbraw/zinc/45/67/44/1031456744.db2.gz AFNUXUHUQKTUQT-OTWHNJEPSA-N 2 0 318.505 3.843 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956979 1031481452 /nfs/dbraw/zinc/48/14/52/1031481452.db2.gz AHQMZFDQEJELMR-DNVCBOLYSA-N 2 0 304.453 3.907 20 0 DHADRP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000872087900 1031483391 /nfs/dbraw/zinc/48/33/91/1031483391.db2.gz MDYKKMVMSLDMDN-GJZGRUSLSA-N 2 0 306.416 3.819 20 0 DHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293563206 1031517065 /nfs/dbraw/zinc/51/70/65/1031517065.db2.gz ATGAQVMPWDHHOR-INIZCTEOSA-N 2 0 317.477 3.562 20 0 DHADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000360707873 1031530648 /nfs/dbraw/zinc/53/06/48/1031530648.db2.gz OHAMPMSFWRXPOQ-IRXDYDNUSA-N 2 0 304.478 3.576 20 0 DHADRP Cc1ncc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156145 1031536011 /nfs/dbraw/zinc/53/60/11/1031536011.db2.gz FHXULDXTXNZVSW-WMLDXEAASA-N 2 0 307.507 3.571 20 0 DHADRP Cc1nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872155972 1031537552 /nfs/dbraw/zinc/53/75/52/1031537552.db2.gz BQOYZJMGROWFEY-RHSMWYFYSA-N 2 0 307.507 3.571 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ccccc1Oc1cccnc1 ZINC000872155833 1031538605 /nfs/dbraw/zinc/53/86/05/1031538605.db2.gz XOLLSQPWBOIHBR-UHFFFAOYSA-N 2 0 313.445 3.825 20 0 DHADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000872157246 1031539557 /nfs/dbraw/zinc/53/95/57/1031539557.db2.gz NUWOJAMAJHBEGH-NVXWUHKLSA-N 2 0 321.534 3.880 20 0 DHADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158886 1031540331 /nfs/dbraw/zinc/54/03/31/1031540331.db2.gz YUUHHZQTQIGDQY-MAUKXSAKSA-N 2 0 319.493 3.665 20 0 DHADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000537294406 1031559439 /nfs/dbraw/zinc/55/94/39/1031559439.db2.gz CQDMURQATHHZSB-KZNAEPCWSA-N 2 0 310.526 3.536 20 0 DHADRP COc1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001144487343 1031638004 /nfs/dbraw/zinc/63/80/04/1031638004.db2.gz HUYGBPRNOCPFOC-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP Cc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)nc1 ZINC000399752385 1031708122 /nfs/dbraw/zinc/70/81/22/1031708122.db2.gz NTILDUYQCOWORG-NQIIRXRSSA-N 2 0 323.484 3.575 20 0 DHADRP CCc1ncc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)o1 ZINC000930180360 1031723026 /nfs/dbraw/zinc/72/30/26/1031723026.db2.gz VRQCDHXZTLVMRM-UHFFFAOYSA-N 2 0 321.509 3.817 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccc3ncccc23)CC1 ZINC000873151732 1031728865 /nfs/dbraw/zinc/72/88/65/1031728865.db2.gz ZIYZLJLOGWPSBW-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000282074931 1031732747 /nfs/dbraw/zinc/73/27/47/1031732747.db2.gz HHZYXXNCYHLACG-PXNSSMCTSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)C1CC[NH2+]CC1 ZINC000873221922 1031764424 /nfs/dbraw/zinc/76/44/24/1031764424.db2.gz UBVIJBLROKDGRK-CYBMUJFWSA-N 2 0 302.393 3.563 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+][C@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873220328 1031764486 /nfs/dbraw/zinc/76/44/86/1031764486.db2.gz KBQKAFWIEFNANJ-CQSZACIVSA-N 2 0 315.486 3.596 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000873219629 1031765519 /nfs/dbraw/zinc/76/55/19/1031765519.db2.gz AXNXXIHNWBBQSV-OLZOCXBDSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1ncsc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232461 1031767401 /nfs/dbraw/zinc/76/74/01/1031767401.db2.gz QGFOZSCEQPTGSO-GDBMZVCRSA-N 2 0 307.507 3.571 20 0 DHADRP [NH3+][C@H](CC[NH2+]C1CCC(C(F)(F)F)CC1)Cc1ccccc1 ZINC000873234637 1031767752 /nfs/dbraw/zinc/76/77/52/1031767752.db2.gz HHELFRYAJSLRKD-HWOWSKLDSA-N 2 0 314.395 3.657 20 0 DHADRP c1cnc2c(c1)cccc2C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232956 1031768526 /nfs/dbraw/zinc/76/85/26/1031768526.db2.gz UCQQPUBQWCDXDD-SFHVURJKSA-N 2 0 309.457 3.637 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)CCO2 ZINC000873238451 1031769850 /nfs/dbraw/zinc/76/98/50/1031769850.db2.gz YWBZVXLUAALBFG-HXUWFJFHSA-N 2 0 322.452 3.508 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000873245280 1031772947 /nfs/dbraw/zinc/77/29/47/1031772947.db2.gz MQBUAZDQVJJSSL-WFASDCNBSA-N 2 0 308.466 3.730 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000873249669 1031773316 /nfs/dbraw/zinc/77/33/16/1031773316.db2.gz MMBPXYNLAJZRAK-XABYNWHXSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000873255121 1031773726 /nfs/dbraw/zinc/77/37/26/1031773726.db2.gz DHYOAHOBILXKLA-GIPNMCIBSA-N 2 0 315.244 3.534 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000873253004 1031774025 /nfs/dbraw/zinc/77/40/25/1031774025.db2.gz XHQVHKPVEQPECR-BYCMXARLSA-N 2 0 300.368 3.729 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000873252995 1031775302 /nfs/dbraw/zinc/77/53/02/1031775302.db2.gz XCJNSBOWYUTKHI-VHSSKADRSA-N 2 0 300.833 3.756 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000873256384 1031777174 /nfs/dbraw/zinc/77/71/74/1031777174.db2.gz OGAQWNJZXWTGQF-NRPADANISA-N 2 0 305.274 3.759 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OCc2ccccc2)cc1 ZINC000873258589 1031777440 /nfs/dbraw/zinc/77/74/40/1031777440.db2.gz SKIXQUSFLOLOOM-IEZWGBDMSA-N 2 0 310.441 3.654 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccsc2S1 ZINC000873263292 1031778944 /nfs/dbraw/zinc/77/89/44/1031778944.db2.gz HWTBYIJIGNWSDV-AIUMHDJVSA-N 2 0 308.516 3.794 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+][C@H](C)C3CC[NH2+]CC3)ccc2c1 ZINC000873264096 1031779324 /nfs/dbraw/zinc/77/93/24/1031779324.db2.gz BNVWAIQJGADZKM-HUUCEWRRSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2ccncc2)c1 ZINC000873262924 1031779348 /nfs/dbraw/zinc/77/93/48/1031779348.db2.gz DLPRKBKSCDLZAQ-AFMUBRCDSA-N 2 0 321.468 3.930 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@H](C)C3CC[NH2+]CC3)ccc2c1 ZINC000873264093 1031780061 /nfs/dbraw/zinc/78/00/61/1031780061.db2.gz BNVWAIQJGADZKM-CABCVRRESA-N 2 0 312.457 3.887 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1OCC ZINC000873270368 1031781174 /nfs/dbraw/zinc/78/11/74/1031781174.db2.gz RPBARGRPPBFJND-LSDHHAIUSA-N 2 0 320.477 3.523 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268189 1031781266 /nfs/dbraw/zinc/78/12/66/1031781266.db2.gz UBDKRGAGNNMDTF-NEPJUHHUSA-N 2 0 309.523 3.788 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)C1CC[NH2+]CC1 ZINC000873267864 1031782499 /nfs/dbraw/zinc/78/24/99/1031782499.db2.gz KXEAJKRGKSXSKP-CVEARBPZSA-N 2 0 309.457 3.787 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272659 1031784078 /nfs/dbraw/zinc/78/40/78/1031784078.db2.gz VZAFVYMSJFTDAN-OLZOCXBDSA-N 2 0 314.395 3.614 20 0 DHADRP c1ccc2c(c1)CCC[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000897709754 1031798090 /nfs/dbraw/zinc/79/80/90/1031798090.db2.gz SKPGAMIIQUVDDH-FQEVSTJZSA-N 2 0 321.468 3.588 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC1 ZINC000897882324 1031868756 /nfs/dbraw/zinc/86/87/56/1031868756.db2.gz MKDOGHUXUYRDTQ-SAZUREKKSA-N 2 0 308.416 3.675 20 0 DHADRP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC23CC3)cc1 ZINC000897959093 1031897239 /nfs/dbraw/zinc/89/72/39/1031897239.db2.gz QCWXCPSROWDLEU-VNTMZGSJSA-N 2 0 310.485 3.962 20 0 DHADRP Cc1sccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000294290588 1031921462 /nfs/dbraw/zinc/92/14/62/1031921462.db2.gz WLFNZNUCLBNJKX-UHFFFAOYSA-N 2 0 300.471 3.942 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000846221466 1031934335 /nfs/dbraw/zinc/93/43/35/1031934335.db2.gz YZZXZZPFFJWLPW-HNNXBMFYSA-N 2 0 321.534 3.720 20 0 DHADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846229614 1031937155 /nfs/dbraw/zinc/93/71/55/1031937155.db2.gz VZPLYWFVKBIGQJ-UFYCRDLUSA-N 2 0 316.489 3.890 20 0 DHADRP CCCC[N@H+](Cc1cc[nH]c(=O)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033884 1032015884 /nfs/dbraw/zinc/01/58/84/1032015884.db2.gz LSWJLKIPHHXMFO-UHFFFAOYSA-N 2 0 319.493 3.699 20 0 DHADRP CCCC[N@H+](C[C@@H]1C[C@]12CCOC2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033928 1032016007 /nfs/dbraw/zinc/01/60/07/1032016007.db2.gz MVRASKCYHTYOAV-JXFKEZNVSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000924687083 1033299646 /nfs/dbraw/zinc/29/96/46/1033299646.db2.gz NRCXLVKMGMTTTL-ZBFHGGJFSA-N 2 0 305.466 3.605 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccnn1C1CCC1 ZINC000924689085 1033307042 /nfs/dbraw/zinc/30/70/42/1033307042.db2.gz WKBDXNNCYOLYDI-IRXDYDNUSA-N 2 0 318.509 3.771 20 0 DHADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CC[PH+](C(C)C)C(C)C ZINC001172752468 1033335486 /nfs/dbraw/zinc/33/54/86/1033335486.db2.gz LLPUAYPKFUNXND-HNNXBMFYSA-N 2 0 303.427 3.995 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(C(F)F)nc2)cc1 ZINC000877524976 1033336261 /nfs/dbraw/zinc/33/62/61/1033336261.db2.gz MRNMKXKPXZUTLX-UHFFFAOYSA-N 2 0 319.399 3.713 20 0 DHADRP Clc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001172714635 1033349933 /nfs/dbraw/zinc/34/99/33/1033349933.db2.gz BRFXTJTVSYBZJB-GOSISDBHSA-N 2 0 318.892 3.661 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927033185 1033370605 /nfs/dbraw/zinc/37/06/05/1033370605.db2.gz RJJHUUNYGLEUON-INMHGKMJSA-N 2 0 322.518 3.562 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](C3CCC(Cc4ccccc4)CC3)C2)C1 ZINC001172825505 1033388949 /nfs/dbraw/zinc/38/89/49/1033388949.db2.gz VTQYOMMSPMEIMZ-XVAXZDLZSA-N 2 0 312.501 3.816 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](C3CCC(Cc4ccccc4)CC3)C2)C1 ZINC001172825504 1033390407 /nfs/dbraw/zinc/39/04/07/1033390407.db2.gz VTQYOMMSPMEIMZ-CBNMVNINSA-N 2 0 312.501 3.816 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CCCC1CC[NH+](C)CC1)CC2 ZINC001172830897 1033393298 /nfs/dbraw/zinc/39/32/98/1033393298.db2.gz LANIICMDSJBINE-HXUWFJFHSA-N 2 0 300.490 3.564 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)CC2 ZINC001172832135 1033395805 /nfs/dbraw/zinc/39/58/05/1033395805.db2.gz QSIWPULTNQXZIL-HXUWFJFHSA-N 2 0 314.517 3.952 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038852 1033411419 /nfs/dbraw/zinc/41/14/19/1033411419.db2.gz RGYMSWBKAHWMAS-LSJNQWAISA-N 2 0 304.453 3.753 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CC2 ZINC001172841576 1033411792 /nfs/dbraw/zinc/41/17/92/1033411792.db2.gz HRFAATDWORZEHJ-HXUWFJFHSA-N 2 0 300.490 3.562 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)CC2 ZINC001172842600 1033412998 /nfs/dbraw/zinc/41/29/98/1033412998.db2.gz NQPNXLVCHOMXIX-SFHLNBCPSA-N 2 0 314.517 3.986 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000927038464 1033414325 /nfs/dbraw/zinc/41/43/25/1033414325.db2.gz OCZRRDQDDIICIG-UHFFFAOYSA-N 2 0 320.521 3.722 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccn1 ZINC000927040154 1033417148 /nfs/dbraw/zinc/41/71/48/1033417148.db2.gz XTEZXCPYJSUNIQ-CUYAVPTFSA-N 2 0 301.478 3.775 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001172846626 1033418586 /nfs/dbraw/zinc/41/85/86/1033418586.db2.gz WJCUBMKCMTYVGY-KBPBESRZSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccccc2)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000877718832 1033421087 /nfs/dbraw/zinc/42/10/87/1033421087.db2.gz VOBZGMIWXJBYFW-OAHLLOKOSA-N 2 0 322.443 3.673 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172852937 1033421786 /nfs/dbraw/zinc/42/17/86/1033421786.db2.gz WHLMHCLKLGRYEX-HZSPNIEDSA-N 2 0 312.860 3.873 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[NH+]1CCCC1 ZINC001172861104 1033432883 /nfs/dbraw/zinc/43/28/83/1033432883.db2.gz HJPZQYZYBMLADE-CQSZACIVSA-N 2 0 312.860 3.876 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874821 1033446965 /nfs/dbraw/zinc/44/69/65/1033446965.db2.gz IYKLRXAQYOOOJQ-CYBMUJFWSA-N 2 0 300.899 3.880 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534278 1033462144 /nfs/dbraw/zinc/46/21/44/1033462144.db2.gz PIUOSVLUFQPMBX-WCQYABFASA-N 2 0 307.507 3.542 20 0 DHADRP Cn1c2ccccc2nc1Nc1ccc(Cn2ccnc2)cc1 ZINC001212692557 1033464600 /nfs/dbraw/zinc/46/46/00/1033464600.db2.gz ZZYJXFXNJPNTLM-UHFFFAOYSA-N 2 0 303.369 3.562 20 0 DHADRP CO[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC001172938561 1033478191 /nfs/dbraw/zinc/47/81/91/1033478191.db2.gz LYPNKRDDGZYYEZ-PMACEKPBSA-N 2 0 316.489 3.540 20 0 DHADRP CC[N@@H+]1CC[C@H](CN[C@H](C)c2csc(C(F)(F)F)c2)C1 ZINC000924707014 1033491204 /nfs/dbraw/zinc/49/12/04/1033491204.db2.gz SPMVJWLZXBAKNW-GHMZBOCLSA-N 2 0 306.397 3.759 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173039891 1033505539 /nfs/dbraw/zinc/50/55/39/1033505539.db2.gz RXXOKORMFOMONB-ROUUACIJSA-N 2 0 322.537 3.683 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C[C@](C)(C[NH3+])C1 ZINC001173041963 1033508340 /nfs/dbraw/zinc/50/83/40/1033508340.db2.gz PXQAYZCWDCPRBC-HKUYNNGSSA-N 2 0 322.537 3.859 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3cc(C)ncc32)CC1 ZINC001173106241 1033542597 /nfs/dbraw/zinc/54/25/97/1033542597.db2.gz KIBBIKANYRJSME-FAFZWHIHSA-N 2 0 301.478 3.620 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)C(=O)c2ccccc2)CC1 ZINC001173104618 1033542722 /nfs/dbraw/zinc/54/27/22/1033542722.db2.gz JVVVJLFVHUYWTO-UHFFFAOYSA-N 2 0 316.489 3.891 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3ncoc3c2)CC1 ZINC001173106630 1033542830 /nfs/dbraw/zinc/54/28/30/1033542830.db2.gz AKTIJQQDTNPVQT-UHFFFAOYSA-N 2 0 301.434 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC001173104683 1033543525 /nfs/dbraw/zinc/54/35/25/1033543525.db2.gz UNSIDSNLGULSAM-UHFFFAOYSA-N 2 0 310.432 3.750 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H]2c2cc(C)on2)CC1 ZINC001173108078 1033544867 /nfs/dbraw/zinc/54/48/67/1033544867.db2.gz DDXXSDSSRVODEB-LEOMRAHMSA-N 2 0 305.466 3.773 20 0 DHADRP CC[NH+](CC)C1CCC(N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173108438 1033545083 /nfs/dbraw/zinc/54/50/83/1033545083.db2.gz KQIXVJXGRMLSKT-UHFFFAOYSA-N 2 0 321.553 3.590 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](COC)c2ccccc2)CC1 ZINC001173107438 1033545775 /nfs/dbraw/zinc/54/57/75/1033545775.db2.gz RKORTIYBURFZFS-ACBHZAAOSA-N 2 0 304.478 3.617 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCCc3ccncc32)CC1 ZINC001173108197 1033545809 /nfs/dbraw/zinc/54/58/09/1033545809.db2.gz FUXFYXZUTMSGCM-FAFZWHIHSA-N 2 0 301.478 3.702 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2cccc(N)n2)C(C)C)CC1 ZINC001173108585 1033546078 /nfs/dbraw/zinc/54/60/78/1033546078.db2.gz OBSLVWIZBDOWSC-LADRWXRNSA-N 2 0 318.509 3.604 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2CC3(C2)CC(F)(F)C3)CC1 ZINC001173107517 1033546118 /nfs/dbraw/zinc/54/61/18/1033546118.db2.gz VMEJFFAAJWBLSI-UHFFFAOYSA-N 2 0 300.437 3.807 20 0 DHADRP CC(C)(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2ncsc2C1 ZINC001173127131 1033558004 /nfs/dbraw/zinc/55/80/04/1033558004.db2.gz WFIVDRNFVYXETJ-KKUMJFAQSA-N 2 0 321.534 3.618 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCC2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173129052 1033559415 /nfs/dbraw/zinc/55/94/15/1033559415.db2.gz FXENZNHTGBGTGS-FVQBIDKESA-N 2 0 319.518 3.515 20 0 DHADRP CCC(CC)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2ncsc2C1 ZINC001173125673 1033559440 /nfs/dbraw/zinc/55/94/40/1033559440.db2.gz HOPATAYTJXGAEC-FVQBIDKESA-N 2 0 321.534 3.761 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)C1CCC(Oc2ccccc2)CC1 ZINC001173206605 1033610867 /nfs/dbraw/zinc/61/08/67/1033610867.db2.gz TXTLZNHNXKYINE-UHFFFAOYSA-N 2 0 304.478 3.650 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(OC)cc3)CC2)C1 ZINC001173268170 1033638196 /nfs/dbraw/zinc/63/81/96/1033638196.db2.gz AKVZRRPANAPZDH-SJLPKXTDSA-N 2 0 316.489 3.610 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3OC)CC2)C1 ZINC001173269722 1033640979 /nfs/dbraw/zinc/64/09/79/1033640979.db2.gz KTAPPINZGWAYEQ-SJLPKXTDSA-N 2 0 316.489 3.610 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+][C@H]2CCN(CC3CCC3)C2)cc1 ZINC001173240893 1033647653 /nfs/dbraw/zinc/64/76/53/1033647653.db2.gz KIQSRSRZFSZCEX-JXFKEZNVSA-N 2 0 300.490 3.644 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000553331570 1033664306 /nfs/dbraw/zinc/66/43/06/1033664306.db2.gz MPVCGVAYZACUQX-IAGOWNOFSA-N 2 0 309.457 3.915 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173347759 1033704020 /nfs/dbraw/zinc/70/40/20/1033704020.db2.gz GUMICNWHBCTEAV-IBGZPJMESA-N 2 0 322.537 3.970 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476381 1033739237 /nfs/dbraw/zinc/73/92/37/1033739237.db2.gz VLABMTURNBEUSZ-UHFFFAOYSA-N 2 0 322.443 3.534 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173480063 1033740026 /nfs/dbraw/zinc/74/00/26/1033740026.db2.gz QFLUCROHAULXTQ-JCNLHEQBSA-N 2 0 322.443 3.675 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173482141 1033740593 /nfs/dbraw/zinc/74/05/93/1033740593.db2.gz XYSKUGQLRJWCRN-UHFFFAOYSA-N 2 0 322.443 3.628 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])SCC[NH3+] ZINC001173539079 1033757546 /nfs/dbraw/zinc/75/75/46/1033757546.db2.gz KWYOYINCCODWQM-SECBINFHSA-N 2 0 320.289 3.531 20 0 DHADRP Cc1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccnc1F ZINC000862250256 1033794125 /nfs/dbraw/zinc/79/41/25/1033794125.db2.gz LVMMODMATHMFNJ-UHFFFAOYSA-N 2 0 319.468 3.617 20 0 DHADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000479518785 1033795590 /nfs/dbraw/zinc/79/55/90/1033795590.db2.gz SFOYXHXSZJDWMK-ZGUYJTEBSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000479554657 1033812727 /nfs/dbraw/zinc/81/27/27/1033812727.db2.gz MKGUKJDKTAOOMQ-JYBIWHBTSA-N 2 0 300.490 3.923 20 0 DHADRP CCC[N@H+](CCC[NH3+])C1CCC2(CCc3ccccc32)CC1 ZINC001173685784 1033830521 /nfs/dbraw/zinc/83/05/21/1033830521.db2.gz DZEXCNSKQKADAP-UHFFFAOYSA-N 2 0 300.490 3.874 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000127476443 1033898068 /nfs/dbraw/zinc/89/80/68/1033898068.db2.gz JPXPYMMASFFGED-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc(Cl)ccc1Cl ZINC000557522792 1033911208 /nfs/dbraw/zinc/91/12/08/1033911208.db2.gz BZZSWYRMEGILNC-XHDPSFHLSA-N 2 0 301.261 3.765 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479870257 1033929878 /nfs/dbraw/zinc/92/98/78/1033929878.db2.gz CFWXJSOCNMCHED-BXWFABGCSA-N 2 0 304.478 3.856 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCC[NH+](C)C ZINC000479862564 1033939030 /nfs/dbraw/zinc/93/90/30/1033939030.db2.gz PKDWNOORGVEFAY-CQSZACIVSA-N 2 0 300.899 3.752 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc3ccccc23)[C@H](C)C1 ZINC000174780888 1033956483 /nfs/dbraw/zinc/95/64/83/1033956483.db2.gz IWUQOYPFHQWHIA-FOIQADDNSA-N 2 0 311.473 3.705 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000629515009 1033970688 /nfs/dbraw/zinc/97/06/88/1033970688.db2.gz OUAXRGUQVSZKKW-QMVVBGKPSA-N 2 0 311.267 3.568 20 0 DHADRP C[C@H]1C[N@H+](CCc2ccc(Cl)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205985393 1034009199 /nfs/dbraw/zinc/00/91/99/1034009199.db2.gz XXUFLZOEJGPIEP-JSGCOSHPSA-N 2 0 315.288 3.843 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CCC(C[NH+](C)C)CC2)c1C ZINC000554286944 1034067829 /nfs/dbraw/zinc/06/78/29/1034067829.db2.gz ULRIHVWDIBUPNT-UHFFFAOYSA-N 2 0 311.473 3.884 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178256328 1034224379 /nfs/dbraw/zinc/22/43/79/1034224379.db2.gz IBHCYQFYAQASSX-JKSUJKDBSA-N 2 0 316.489 3.651 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccsc1 ZINC000178618378 1034253349 /nfs/dbraw/zinc/25/33/49/1034253349.db2.gz NZRZYBHHYFITJC-OAHLLOKOSA-N 2 0 318.486 3.929 20 0 DHADRP c1sc2ccccc2c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363000 1034256408 /nfs/dbraw/zinc/25/64/08/1034256408.db2.gz OZNDGNRFAQZANY-UHFFFAOYSA-N 2 0 300.471 3.865 20 0 DHADRP c1cn2cc(Nc3ccc(CC[NH+]4CCCC4)cc3)ccc2[nH+]1 ZINC001174278440 1034272356 /nfs/dbraw/zinc/27/23/56/1034272356.db2.gz DYBNFNHXYJFABY-UHFFFAOYSA-N 2 0 306.413 3.716 20 0 DHADRP c1ccc(CCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000480503216 1034273468 /nfs/dbraw/zinc/27/34/68/1034273468.db2.gz XSDXSHKQEDEMJG-UHFFFAOYSA-N 2 0 300.490 3.817 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(Cl)nc1 ZINC000179106125 1034281431 /nfs/dbraw/zinc/28/14/31/1034281431.db2.gz UZVQNIDKNFEEJE-HNNXBMFYSA-N 2 0 309.885 3.898 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000554722493 1034292054 /nfs/dbraw/zinc/29/20/54/1034292054.db2.gz YLUWNKJDENZELU-UHFFFAOYSA-N 2 0 306.416 3.962 20 0 DHADRP Cc1ccc(-c2ncc(CN3CC[C@H](C[NH+](C)C)C3)s2)cc1 ZINC000179639144 1034321757 /nfs/dbraw/zinc/32/17/57/1034321757.db2.gz ULOQYAFZGOJTPP-OAHLLOKOSA-N 2 0 315.486 3.502 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000480607999 1034340508 /nfs/dbraw/zinc/34/05/08/1034340508.db2.gz FBTRVSXKEHLTRV-UZLBHIALSA-N 2 0 316.489 3.784 20 0 DHADRP COc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000480604462 1034345117 /nfs/dbraw/zinc/34/51/17/1034345117.db2.gz ABNNHKVDHASOHP-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc(Cl)c(F)c1 ZINC000880516847 1034349474 /nfs/dbraw/zinc/34/94/74/1034349474.db2.gz AMVDHRYSBGBFMV-UHFFFAOYSA-N 2 0 313.848 3.572 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000480606447 1034349526 /nfs/dbraw/zinc/34/95/26/1034349526.db2.gz ANQKEUMSTOVVNG-JKSUJKDBSA-N 2 0 322.468 3.997 20 0 DHADRP COC1(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCCC1 ZINC000480644591 1034364247 /nfs/dbraw/zinc/36/42/47/1034364247.db2.gz OETJPHVFQAHXTF-UHFFFAOYSA-N 2 0 316.489 3.721 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000480631581 1034365272 /nfs/dbraw/zinc/36/52/72/1034365272.db2.gz PQPNPDOAAGJODK-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOC(C)(C)C)C2)s1 ZINC000554851197 1034376091 /nfs/dbraw/zinc/37/60/91/1034376091.db2.gz AZMNPRHLLRBFQP-MRXNPFEDSA-N 2 0 324.534 3.625 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000480666907 1034378954 /nfs/dbraw/zinc/37/89/54/1034378954.db2.gz FODIJSQFMDWOMY-YCPHGPKFSA-N 2 0 314.395 3.685 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC000480670391 1034382695 /nfs/dbraw/zinc/38/26/95/1034382695.db2.gz PMEDYVCOWLVKOM-UMVBOHGHSA-N 2 0 306.416 3.818 20 0 DHADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000554890543 1034394108 /nfs/dbraw/zinc/39/41/08/1034394108.db2.gz PSUIEFNBEHTRBG-OXJNMPFZSA-N 2 0 309.457 3.521 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000480693631 1034396576 /nfs/dbraw/zinc/39/65/76/1034396576.db2.gz DFHYGPMSFAEWFR-XLAORIBOSA-N 2 0 318.505 3.678 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000480744940 1034433613 /nfs/dbraw/zinc/43/36/13/1034433613.db2.gz ZZJOHNOADJUYKU-ZCNNSNEGSA-N 2 0 300.490 3.779 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000184281583 1034459010 /nfs/dbraw/zinc/45/90/10/1034459010.db2.gz VWCPOPKEBYHDEC-FGTMMUONSA-N 2 0 303.494 3.799 20 0 DHADRP Cc1[nH+]c2ccccc2c(NC2CC([NH+]3CCCCC3)C2)c1C ZINC000480844184 1034469687 /nfs/dbraw/zinc/46/96/87/1034469687.db2.gz WHKDUQPEHITJSE-UHFFFAOYSA-N 2 0 309.457 3.702 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000480923730 1034511674 /nfs/dbraw/zinc/51/16/74/1034511674.db2.gz BFXUBBZXMGSSQY-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)(C[NH2+]C/C=C/c1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000480931064 1034514418 /nfs/dbraw/zinc/51/44/18/1034514418.db2.gz JUNXVWWQCLXMJV-AATRIKPKSA-N 2 0 308.416 3.690 20 0 DHADRP CCC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccnc1 ZINC000185459192 1034549096 /nfs/dbraw/zinc/54/90/96/1034549096.db2.gz NTLRWPOTLKTPHW-IBGZPJMESA-N 2 0 315.436 3.913 20 0 DHADRP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c(C(C)(C)C)c3)cc2)CC1 ZINC001174815497 1034617067 /nfs/dbraw/zinc/61/70/67/1034617067.db2.gz JJRRAQAWDZNDBN-UHFFFAOYSA-N 2 0 324.472 3.875 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865414322 1034634160 /nfs/dbraw/zinc/63/41/60/1034634160.db2.gz BFJMVJQGVSLNSK-ZDUSSCGKSA-N 2 0 313.848 3.618 20 0 DHADRP CC[NH+](CC)CC1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865447036 1034650902 /nfs/dbraw/zinc/65/09/02/1034650902.db2.gz JUWZEKRCXVARRI-UHFFFAOYSA-N 2 0 315.383 3.659 20 0 DHADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000186844316 1034665853 /nfs/dbraw/zinc/66/58/53/1034665853.db2.gz YBLINWZLKLROAF-BZUAXINKSA-N 2 0 312.379 3.549 20 0 DHADRP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000187714450 1034727294 /nfs/dbraw/zinc/72/72/94/1034727294.db2.gz SATWEFAXYOQYPM-QGZVFWFLSA-N 2 0 324.472 3.622 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2sccc2Cl)c1 ZINC000193010115 1034826314 /nfs/dbraw/zinc/82/63/14/1034826314.db2.gz KIHQCSRYJUWJPW-UHFFFAOYSA-N 2 0 324.877 3.632 20 0 DHADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@H]2CCC3(CCC3)O2)CC1 ZINC001175351907 1034945077 /nfs/dbraw/zinc/94/50/77/1034945077.db2.gz MVSZAAOMPODHJO-RTBURBONSA-N 2 0 320.521 3.675 20 0 DHADRP CC[C@H](COC)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481714341 1034949344 /nfs/dbraw/zinc/94/93/44/1034949344.db2.gz FZWKVNRBPMJEQR-LJQANCHMSA-N 2 0 304.478 3.577 20 0 DHADRP Cc1cccc2c1[nH+]c(N)n2-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361865 1034952830 /nfs/dbraw/zinc/95/28/30/1034952830.db2.gz ZOYJKIAJXPGZRV-UHFFFAOYSA-N 2 0 320.440 3.902 20 0 DHADRP Cc1ccc2[nH+]c(N)n(C3=CC[N@H+](Cc4ccccc4)CC3)c2c1 ZINC001175505048 1035013467 /nfs/dbraw/zinc/01/34/67/1035013467.db2.gz KJLAWRIAHZEGKS-UHFFFAOYSA-N 2 0 318.424 3.674 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000481943094 1035034122 /nfs/dbraw/zinc/03/41/22/1035034122.db2.gz FBTZLVAWRGYYLM-IAQYHMDHSA-N 2 0 316.367 3.502 20 0 DHADRP Cc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CCCC2)c1 ZINC000481931007 1035036111 /nfs/dbraw/zinc/03/61/11/1035036111.db2.gz IIBFKGHWFAYGIS-IEBWSBKVSA-N 2 0 300.490 3.737 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062192 1035051863 /nfs/dbraw/zinc/05/18/63/1035051863.db2.gz QWYIBGDTWQXZRX-AYMQBJFKSA-N 2 0 324.871 3.986 20 0 DHADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000482067070 1035053202 /nfs/dbraw/zinc/05/32/02/1035053202.db2.gz IIBBCSMGTPFROS-NALMEZQBSA-N 2 0 322.855 3.884 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000482314673 1035083229 /nfs/dbraw/zinc/08/32/29/1035083229.db2.gz FFWCMJGUBRCNQR-SPYBWZPUSA-N 2 0 304.453 3.769 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C(C)C)cc1 ZINC000482341253 1035087261 /nfs/dbraw/zinc/08/72/61/1035087261.db2.gz DHJCAMKLJQJKRQ-HXUWFJFHSA-N 2 0 302.506 3.884 20 0 DHADRP CCCOc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(C)c1 ZINC000668028144 1035095778 /nfs/dbraw/zinc/09/57/78/1035095778.db2.gz ZENIYVQLMZOFIZ-UHFFFAOYSA-N 2 0 316.489 3.844 20 0 DHADRP C[NH+](C)Cc1ccc(Nc2c[nH+]ccc2N2CCCCC2)cc1 ZINC001176290625 1035235774 /nfs/dbraw/zinc/23/57/74/1035235774.db2.gz OEAVGSVDFNAWQI-UHFFFAOYSA-N 2 0 310.445 3.877 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(OC)c1 ZINC000483209749 1035241275 /nfs/dbraw/zinc/24/12/75/1035241275.db2.gz ZNDDKECYEYIRES-KDOFPFPSSA-N 2 0 322.493 3.721 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)C[C@H]1C ZINC000483282564 1035251701 /nfs/dbraw/zinc/25/17/01/1035251701.db2.gz PNPOKGBJUYOVCA-VQIMIIECSA-N 2 0 316.489 3.780 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483424456 1035268990 /nfs/dbraw/zinc/26/89/90/1035268990.db2.gz DWLXNGIXAKFSRO-MOPGFXCFSA-N 2 0 304.453 3.664 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1cccc(F)c1 ZINC001168368131 1035284311 /nfs/dbraw/zinc/28/43/11/1035284311.db2.gz ARLWGAZSICNQSN-UHFFFAOYSA-N 2 0 318.480 3.858 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001176568073 1035296400 /nfs/dbraw/zinc/29/64/00/1035296400.db2.gz SGIBYTXWHJUDTE-RTBURBONSA-N 2 0 300.490 3.986 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484354984 1035331974 /nfs/dbraw/zinc/33/19/74/1035331974.db2.gz RTHFRAUKUIGEKI-UONOGXRCSA-N 2 0 306.416 3.771 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC001177087387 1035349241 /nfs/dbraw/zinc/34/92/41/1035349241.db2.gz ZTXONLJIIRJKPY-UHFFFAOYSA-N 2 0 300.418 3.575 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCO[C@H](C)C3)cc2)C1 ZINC001177257258 1035359953 /nfs/dbraw/zinc/35/99/53/1035359953.db2.gz UATUOJFLEWGSJD-MBOZVWFJSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001177290904 1035360354 /nfs/dbraw/zinc/36/03/54/1035360354.db2.gz YOZGNFUKLOIDPV-HUUCEWRRSA-N 2 0 310.432 3.813 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC001177298848 1035361105 /nfs/dbraw/zinc/36/11/05/1035361105.db2.gz GLEVPIWJELCNJD-AWEZNQCLSA-N 2 0 310.869 3.647 20 0 DHADRP C[C@H](C[NH2+]C[C@@H](C)CCc1ccccc1)C[NH+]1CCCCC1 ZINC001177416076 1035369945 /nfs/dbraw/zinc/36/99/45/1035369945.db2.gz HVFHNUILDXTANM-RBUKOAKNSA-N 2 0 302.506 3.967 20 0 DHADRP C[C@H](CC[NH2+]C1CC(C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000904359893 1035403478 /nfs/dbraw/zinc/40/34/78/1035403478.db2.gz GPMOIZXLFUULKC-XIKARTHZSA-N 2 0 300.368 3.526 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904375849 1035408910 /nfs/dbraw/zinc/40/89/10/1035408910.db2.gz HWGQVSWRJMMELM-UHFFFAOYSA-N 2 0 308.347 3.773 20 0 DHADRP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC[NH2+]CC3)c3ccccc3O2)cc1 ZINC000904428612 1035412464 /nfs/dbraw/zinc/41/24/64/1035412464.db2.gz NAZPEXGPLVIHGC-CTNGQTDRSA-N 2 0 322.452 3.841 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1C ZINC000904443268 1035416091 /nfs/dbraw/zinc/41/60/91/1035416091.db2.gz FPZRHINWHLEXCU-OAHLLOKOSA-N 2 0 310.441 3.500 20 0 DHADRP Cc1ccsc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904459071 1035416657 /nfs/dbraw/zinc/41/66/57/1035416657.db2.gz NJCPTKFUTDLVLH-UHFFFAOYSA-N 2 0 300.471 3.549 20 0 DHADRP CC(C)([NH3+])c1ccc(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000904477354 1035418675 /nfs/dbraw/zinc/41/86/75/1035418675.db2.gz UQUVNYLCZOAHOK-OALUTQOASA-N 2 0 309.457 3.786 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001178449556 1035427290 /nfs/dbraw/zinc/42/72/90/1035427290.db2.gz SOHMKGREFGXMKB-UHFFFAOYSA-N 2 0 305.510 3.746 20 0 DHADRP CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178823658 1035449707 /nfs/dbraw/zinc/44/97/07/1035449707.db2.gz JTPFDCMABHVJND-RBUKOAKNSA-N 2 0 318.505 3.933 20 0 DHADRP C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178867125 1035452133 /nfs/dbraw/zinc/45/21/33/1035452133.db2.gz CMXGCOZXROOQRQ-VQIMIIECSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)(O)c1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC000904771419 1035454463 /nfs/dbraw/zinc/45/44/63/1035454463.db2.gz OHRICCVOVSOQJN-UHFFFAOYSA-N 2 0 324.468 3.504 20 0 DHADRP CCCc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC001179790011 1035503116 /nfs/dbraw/zinc/50/31/16/1035503116.db2.gz YFAOHIPUYTZFRS-UHFFFAOYSA-N 2 0 315.486 3.854 20 0 DHADRP CC[C@@](C)(C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)OC ZINC001180052732 1035575133 /nfs/dbraw/zinc/57/51/33/1035575133.db2.gz UQNJOYPICMPAFR-FQEVSTJZSA-N 2 0 318.505 3.646 20 0 DHADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180097427 1035582932 /nfs/dbraw/zinc/58/29/32/1035582932.db2.gz DVVCNKFNLAVAAT-XUVXKRRUSA-N 2 0 300.490 3.986 20 0 DHADRP CC(C)OCCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189957259 1035585003 /nfs/dbraw/zinc/58/50/03/1035585003.db2.gz QBVLQKSWUSEJPI-QZTJIDSGSA-N 2 0 318.505 3.548 20 0 DHADRP CC[C@@H](C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1)c1ccccc1 ZINC001180081970 1035587760 /nfs/dbraw/zinc/58/77/60/1035587760.db2.gz PBZBLCTVTAPGPW-ICSRJNTNSA-N 2 0 318.505 3.613 20 0 DHADRP C[C@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1cc(F)cc(F)c1 ZINC001180097753 1035596940 /nfs/dbraw/zinc/59/69/40/1035596940.db2.gz HMQVSEAGUIZTSQ-RDTXWAMCSA-N 2 0 310.432 3.875 20 0 DHADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000494489721 1035603858 /nfs/dbraw/zinc/60/38/58/1035603858.db2.gz DWZHABNFNLEAPG-OQIJWPOYSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1c1ccccc1 ZINC000535472073 1035649865 /nfs/dbraw/zinc/64/98/65/1035649865.db2.gz FNSBNZGCPRQSNF-RLLQIKCJSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001204268238 1035673763 /nfs/dbraw/zinc/67/37/63/1035673763.db2.gz GXSJWYGGICLAPB-SJORKVTESA-N 2 0 304.478 3.638 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2csc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205637849 1035674001 /nfs/dbraw/zinc/67/40/01/1035674001.db2.gz JLPAKPHSALYNEA-PWSUYJOCSA-N 2 0 306.397 3.574 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cnn1C(C)(C)C ZINC000191293493 1035678008 /nfs/dbraw/zinc/67/80/08/1035678008.db2.gz HEXZAJCQGUQCMZ-PBHICJAKSA-N 2 0 322.541 3.964 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC001193649436 1035691697 /nfs/dbraw/zinc/69/16/97/1035691697.db2.gz QEGPPYFGVGRFIS-XUVXKRRUSA-N 2 0 300.490 3.862 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC001204278775 1035740945 /nfs/dbraw/zinc/74/09/45/1035740945.db2.gz HACXJDOJKQXKNR-UYAOXDASSA-N 2 0 314.517 3.943 20 0 DHADRP Clc1ccc([C@H]2OCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000192023078 1035747805 /nfs/dbraw/zinc/74/78/05/1035747805.db2.gz BGYHLFBKFPCPHK-QZTJIDSGSA-N 2 0 322.880 3.636 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000153145532 1035765555 /nfs/dbraw/zinc/76/55/55/1035765555.db2.gz JEJFBKLKJFQPNK-APWZRJJASA-N 2 0 316.489 3.784 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000539563161 1035780678 /nfs/dbraw/zinc/78/06/78/1035780678.db2.gz NPBGVCOKUVGKBO-FFZOFVMBSA-N 2 0 318.505 3.730 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000539563164 1035782658 /nfs/dbraw/zinc/78/26/58/1035782658.db2.gz NPBGVCOKUVGKBO-VDGAXYAQSA-N 2 0 318.505 3.730 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651575 1035815618 /nfs/dbraw/zinc/81/56/18/1035815618.db2.gz HAYGKBFXZYDXGA-PWSUYJOCSA-N 2 0 319.251 3.939 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193086329 1035834452 /nfs/dbraw/zinc/83/44/52/1035834452.db2.gz YVQBNWIYHCDKAF-UHFFFAOYSA-N 2 0 319.474 3.615 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](C/C=C\c3cccc(F)c3)C2)CC1 ZINC001181244452 1035867513 /nfs/dbraw/zinc/86/75/13/1035867513.db2.gz SZXUPHBIJNPWGG-UTCJRWHESA-N 2 0 302.437 3.647 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000226347869 1035931200 /nfs/dbraw/zinc/93/12/00/1035931200.db2.gz BFPTVOJIDUYTEK-SOUVJXGZSA-N 2 0 312.910 3.844 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC001194504647 1035950948 /nfs/dbraw/zinc/95/09/48/1035950948.db2.gz ASDQKESLVPSAAJ-RBUKOAKNSA-N 2 0 302.437 3.621 20 0 DHADRP Cc1ccc(F)c(C[N@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001205670683 1035969789 /nfs/dbraw/zinc/96/97/89/1035969789.db2.gz SANGFASEHLBSOD-UHFFFAOYSA-N 2 0 304.453 3.973 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CCOCC1 ZINC000540144929 1035980847 /nfs/dbraw/zinc/98/08/47/1035980847.db2.gz ULVNVEKYSVJJSV-SOAGJPPSSA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000540159596 1035982315 /nfs/dbraw/zinc/98/23/15/1035982315.db2.gz ALBPBMRPBLOOMO-IEBWSBKVSA-N 2 0 300.490 3.719 20 0 DHADRP Cc1ccc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2n1 ZINC001168370593 1035983243 /nfs/dbraw/zinc/98/32/43/1035983243.db2.gz BWNNUEZUIHGGCB-UHFFFAOYSA-N 2 0 309.457 3.507 20 0 DHADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000540172271 1035995469 /nfs/dbraw/zinc/99/54/69/1035995469.db2.gz XPQUFGLSJMXIJM-OTWHNJEPSA-N 2 0 318.505 3.843 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000540223118 1036017782 /nfs/dbraw/zinc/01/77/82/1036017782.db2.gz ZYPHJTUQFYFRIC-VCBZYWHSSA-N 2 0 316.489 3.792 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000540259591 1036024333 /nfs/dbraw/zinc/02/43/33/1036024333.db2.gz SAOCTDIUVXAUIX-KXBFYZLASA-N 2 0 304.453 3.988 20 0 DHADRP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c3ccccc23)[C@@H]1c1ccccc1 ZINC000485984985 1036070016 /nfs/dbraw/zinc/07/00/16/1036070016.db2.gz AYTDXWIXSUCSEM-UXHICEINSA-N 2 0 303.409 3.514 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001182250072 1036148157 /nfs/dbraw/zinc/14/81/57/1036148157.db2.gz IHSAWOMGPISCPG-MSOLQXFVSA-N 2 0 314.517 3.818 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000495080236 1036229654 /nfs/dbraw/zinc/22/96/54/1036229654.db2.gz QHAJWCJJOGSKBP-AATRIKPKSA-N 2 0 301.478 3.539 20 0 DHADRP [NH3+]CCC1CCN(Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001206500892 1036242465 /nfs/dbraw/zinc/24/24/65/1036242465.db2.gz STPCAMKGEBCSSI-UHFFFAOYSA-N 2 0 305.224 3.693 20 0 DHADRP Fc1cccc2c1SCC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250102932 1036246100 /nfs/dbraw/zinc/24/61/00/1036246100.db2.gz HTCSOUWJPBOPQZ-WWGRRREGSA-N 2 0 306.450 3.579 20 0 DHADRP c1cc(N2CCC[N@@H+](CCC3CCCCCC3)CC2)cc[nH+]1 ZINC001195535360 1036281323 /nfs/dbraw/zinc/28/13/23/1036281323.db2.gz IQZRWAPYEDWJIP-UHFFFAOYSA-N 2 0 301.478 3.954 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000541534694 1036351629 /nfs/dbraw/zinc/35/16/29/1036351629.db2.gz UUGMLLZVOPENBI-IDHHARJASA-N 2 0 310.445 3.729 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC001182544526 1036382813 /nfs/dbraw/zinc/38/28/13/1036382813.db2.gz QCPQYUKXPWKBAX-NCYKPQTJSA-N 2 0 312.501 3.890 20 0 DHADRP C[C@@H]([NH2+]CCOC1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601700 1036385132 /nfs/dbraw/zinc/38/51/32/1036385132.db2.gz NBIFVNRUUXCIPN-QZTJIDSGSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@H]1CC(C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)C1 ZINC001182817155 1036462871 /nfs/dbraw/zinc/46/28/71/1036462871.db2.gz RERWLTDTBTZOKB-NXMBOHNASA-N 2 0 322.537 3.682 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541985836 1036476564 /nfs/dbraw/zinc/47/65/64/1036476564.db2.gz QFPLLYGZEIEVQP-QGZVFWFLSA-N 2 0 300.490 3.598 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCc3ccccc3C2)CC1 ZINC000541985835 1036477121 /nfs/dbraw/zinc/47/71/21/1036477121.db2.gz QFPLLYGZEIEVQP-KRWDZBQOSA-N 2 0 300.490 3.598 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC1(C)C ZINC000486972390 1036501781 /nfs/dbraw/zinc/50/17/81/1036501781.db2.gz PABPAHVEGZHUOL-PBHICJAKSA-N 2 0 306.519 3.984 20 0 DHADRP c1cc(C[NH2+]CC(C2CCC2)C2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000623593606 1036508021 /nfs/dbraw/zinc/50/80/21/1036508021.db2.gz VDIJDCXGXVQAIA-UHFFFAOYSA-N 2 0 310.445 3.573 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC001183146145 1036525667 /nfs/dbraw/zinc/52/56/67/1036525667.db2.gz PUUYVGUIJLGVKE-PXNSSMCTSA-N 2 0 318.505 3.863 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000669928515 1036534435 /nfs/dbraw/zinc/53/44/35/1036534435.db2.gz AXBMRVMOLOQTAP-SFHVURJKSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCC1CC1)CC1CC1 ZINC000668747354 1036558605 /nfs/dbraw/zinc/55/86/05/1036558605.db2.gz GTZWXLQDQUUFEP-UHFFFAOYSA-N 2 0 310.445 3.588 20 0 DHADRP CCCC[N@H+](CCn1ccnc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544202 1036563840 /nfs/dbraw/zinc/56/38/40/1036563840.db2.gz BXIZQGNEEQCTQT-UHFFFAOYSA-N 2 0 320.525 3.603 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001196623717 1036582602 /nfs/dbraw/zinc/58/26/02/1036582602.db2.gz UHCTUKJJQGZXGA-HSALFYBXSA-N 2 0 316.489 3.528 20 0 DHADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491545455 1036600967 /nfs/dbraw/zinc/60/09/67/1036600967.db2.gz LEEQVRCJCARQKK-CZAWJFPGSA-N 2 0 314.395 3.896 20 0 DHADRP Fc1ccc(C2=CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000495391007 1036603672 /nfs/dbraw/zinc/60/36/72/1036603672.db2.gz KLNHZTVOOOJZAS-SLFFLAALSA-N 2 0 314.448 3.978 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000491589219 1036615296 /nfs/dbraw/zinc/61/52/96/1036615296.db2.gz OYQMGLVCNZSCLE-INIZCTEOSA-N 2 0 312.457 3.650 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CC3(CO1)CCCCC3)CC2 ZINC001196797892 1036615384 /nfs/dbraw/zinc/61/53/84/1036615384.db2.gz HKBDVYMUYSSMHL-GOSISDBHSA-N 2 0 320.521 3.534 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000637906159 1036624377 /nfs/dbraw/zinc/62/43/77/1036624377.db2.gz QURXZJPVGOIUNX-UHFFFAOYSA-N 2 0 311.420 3.573 20 0 DHADRP C[C@H]([NH2+]C/C=C\c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487566652 1036686691 /nfs/dbraw/zinc/68/66/91/1036686691.db2.gz WQPCUSJSIDOXCZ-BAZGULGGSA-N 2 0 321.468 3.595 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134701 1036744047 /nfs/dbraw/zinc/74/40/47/1036744047.db2.gz GWEFUSXBFZOVKX-OCCSQVGLSA-N 2 0 312.910 3.654 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(OC)cc2)C2CCC2)CC1 ZINC001184125676 1036744878 /nfs/dbraw/zinc/74/48/78/1036744878.db2.gz WLEBVBBSFDEBRW-HXUWFJFHSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134703 1036749655 /nfs/dbraw/zinc/74/96/55/1036749655.db2.gz GWEFUSXBFZOVKX-TZMCWYRMSA-N 2 0 312.910 3.654 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CC2(COC)CCC2)CC1 ZINC001197359044 1036750596 /nfs/dbraw/zinc/75/05/96/1036750596.db2.gz LNIASGIMCYOFFI-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC001197368838 1036766339 /nfs/dbraw/zinc/76/63/39/1036766339.db2.gz NEVTXPBIXXYGPL-QGZVFWFLSA-N 2 0 317.436 3.946 20 0 DHADRP C[C@@H]1C[N@H+](CCC2CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001197376858 1036769061 /nfs/dbraw/zinc/76/90/61/1036769061.db2.gz IILZUIGSTUIZFP-QGZVFWFLSA-N 2 0 301.478 3.953 20 0 DHADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccccn2)c1 ZINC000924830319 1036861028 /nfs/dbraw/zinc/86/10/28/1036861028.db2.gz WQJSCLZGDKLMGV-KRWDZBQOSA-N 2 0 311.473 3.643 20 0 DHADRP C[C@H]1CC(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)C[C@H](C)C1 ZINC001197738220 1036861934 /nfs/dbraw/zinc/86/19/34/1036861934.db2.gz FTAWZEYLYZFERL-IAGOWNOFSA-N 2 0 322.537 3.682 20 0 DHADRP COc1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1C ZINC000924832557 1036924112 /nfs/dbraw/zinc/92/41/12/1036924112.db2.gz UAILTBFUMFOWPX-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP CC1CC[NH+](CCC[NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000236844712 1036983884 /nfs/dbraw/zinc/98/38/84/1036983884.db2.gz MYZUOJDFNADLIP-UHFFFAOYSA-N 2 0 304.453 3.783 20 0 DHADRP C[NH+](C)Cc1cccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000237077237 1036989698 /nfs/dbraw/zinc/98/96/98/1036989698.db2.gz LGAXEWVKAMPDDA-NRFANRHFSA-N 2 0 323.484 3.825 20 0 DHADRP FC(F)(F)c1ccccc1C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000237800548 1037025596 /nfs/dbraw/zinc/02/55/96/1037025596.db2.gz MVOQVIGBQJERMY-UHFFFAOYSA-N 2 0 312.379 3.669 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)cc1 ZINC000488447873 1037031110 /nfs/dbraw/zinc/03/11/10/1037031110.db2.gz XYEJXINJHMSKQQ-DLBZAZTESA-N 2 0 306.519 3.758 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261942987 1037069098 /nfs/dbraw/zinc/06/90/98/1037069098.db2.gz DYTJRIWOLDRQQI-NRFANRHFSA-N 2 0 324.468 3.812 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1OC(F)F ZINC000915683248 1037133418 /nfs/dbraw/zinc/13/34/18/1037133418.db2.gz ZLIRRASHQPFMNK-JKSUJKDBSA-N 2 0 324.415 3.621 20 0 DHADRP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309651723 1037169511 /nfs/dbraw/zinc/16/95/11/1037169511.db2.gz GXMGKXHPZJIHGB-HXUWFJFHSA-N 2 0 308.469 3.915 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309685306 1037169578 /nfs/dbraw/zinc/16/95/78/1037169578.db2.gz APAORFZGVGTQOM-APWZRJJASA-N 2 0 312.432 3.826 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H](OC)CC1)[NH+]1CCCC1 ZINC001199144008 1037203441 /nfs/dbraw/zinc/20/34/41/1037203441.db2.gz MEGUVMLOVKXSEL-FHWLQOOXSA-N 2 0 310.526 3.824 20 0 DHADRP Cc1cc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnc1Cl ZINC001199329316 1037245979 /nfs/dbraw/zinc/24/59/79/1037245979.db2.gz QCDHHMHUYJWPQD-OKILXGFUSA-N 2 0 309.885 3.501 20 0 DHADRP C[C@@H](C[NH2+]C/C=C\c1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC001199580801 1037285889 /nfs/dbraw/zinc/28/58/89/1037285889.db2.gz ALWHXXDSHAOHGE-YVACAVLKSA-N 2 0 308.416 3.690 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CCC3)CC2)cc1 ZINC000178157062 1037299100 /nfs/dbraw/zinc/29/91/00/1037299100.db2.gz LHHSTICHAXGZLZ-INIZCTEOSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001199699863 1037321317 /nfs/dbraw/zinc/32/13/17/1037321317.db2.gz ABRCLXLQONUPAN-CJNGLKHVSA-N 2 0 301.409 3.926 20 0 DHADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cnn1C(C)C ZINC000658355706 1037322764 /nfs/dbraw/zinc/32/27/64/1037322764.db2.gz KKEJZNJJRQFRTM-HNNXBMFYSA-N 2 0 318.509 3.545 20 0 DHADRP COCCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001205348056 1037355002 /nfs/dbraw/zinc/35/50/02/1037355002.db2.gz VFKBATFZPJVGFX-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001168459090 1037433796 /nfs/dbraw/zinc/43/37/96/1037433796.db2.gz KFTFFTORGGHWAQ-LSBZLQRGSA-N 2 0 306.469 3.890 20 0 DHADRP CC(C)[NH+](CCC[NH2+]C[C@@H]1CCOc2ccccc21)C(C)C ZINC001200921975 1037464789 /nfs/dbraw/zinc/46/47/89/1037464789.db2.gz KIYGXFMGLXTQML-KRWDZBQOSA-N 2 0 304.478 3.651 20 0 DHADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203958465 1037474383 /nfs/dbraw/zinc/47/43/83/1037474383.db2.gz ZMDITDYELUVYSH-ZWKOTPCHSA-N 2 0 302.462 3.534 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001200942421 1037483462 /nfs/dbraw/zinc/48/34/62/1037483462.db2.gz QZIJMTTUZGDIID-YSIASYRMSA-N 2 0 318.505 3.692 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)C1 ZINC000489563300 1037489200 /nfs/dbraw/zinc/48/92/00/1037489200.db2.gz WEGSQNXCNRDWMA-APWZRJJASA-N 2 0 316.489 3.955 20 0 DHADRP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000398148537 1037594276 /nfs/dbraw/zinc/59/42/76/1037594276.db2.gz OQQABTFQDJXIJT-AEFFLSMTSA-N 2 0 318.530 3.772 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000493925454 1037596054 /nfs/dbraw/zinc/59/60/54/1037596054.db2.gz LITGCZKSRPYZLW-PKOBYXMFSA-N 2 0 306.494 3.861 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000493946088 1037602448 /nfs/dbraw/zinc/60/24/48/1037602448.db2.gz XESMQCJAWMUYJC-SZMVWBNQSA-N 2 0 306.494 3.719 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000924851082 1037632069 /nfs/dbraw/zinc/63/20/69/1037632069.db2.gz BNRNDMCYOOGGJQ-UYAOXDASSA-N 2 0 323.484 3.514 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC001201388894 1037647054 /nfs/dbraw/zinc/64/70/54/1037647054.db2.gz MVNNVCVITRUVAH-ABHNRTSZSA-N 2 0 312.542 3.928 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001201389213 1037649485 /nfs/dbraw/zinc/64/94/85/1037649485.db2.gz PSXHRZDPMNNZBG-FQEVSTJZSA-N 2 0 318.505 3.791 20 0 DHADRP CC(C)(C)C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001201442351 1037699292 /nfs/dbraw/zinc/69/92/92/1037699292.db2.gz XUWOTJXNGSZRSS-WJFTUGDTSA-N 2 0 302.506 3.928 20 0 DHADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCO1 ZINC000490587945 1037745063 /nfs/dbraw/zinc/74/50/63/1037745063.db2.gz JBDBDJUGWGBNIN-NLWGTHIKSA-N 2 0 322.537 3.778 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccco1 ZINC000924855497 1037762064 /nfs/dbraw/zinc/76/20/64/1037762064.db2.gz RBSXOQFELWTFKS-GOSISDBHSA-N 2 0 300.446 3.803 20 0 DHADRP Clc1ccccc1C1CC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000037648902 1037837830 /nfs/dbraw/zinc/83/78/30/1037837830.db2.gz CZTHFQGUGWXMHP-WLYUNCDWSA-N 2 0 304.865 3.660 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000037644169 1037838090 /nfs/dbraw/zinc/83/80/90/1037838090.db2.gz XWGIBMOGXBUECZ-NWDGAFQWSA-N 2 0 301.261 3.986 20 0 DHADRP CCCCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001201727811 1037860246 /nfs/dbraw/zinc/86/02/46/1037860246.db2.gz VMFYBXHKPDLSDY-UHFFFAOYSA-N 2 0 322.518 3.605 20 0 DHADRP CCCCCC[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201751009 1037874322 /nfs/dbraw/zinc/87/43/22/1037874322.db2.gz RKJNSQDNMVEBGC-CVEARBPZSA-N 2 0 307.507 3.620 20 0 DHADRP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001201857829 1037909238 /nfs/dbraw/zinc/90/92/38/1037909238.db2.gz SZBIRXZMZLBFQA-ZWKOTPCHSA-N 2 0 310.551 3.905 20 0 DHADRP c1ccc([C@H]2CSCCN2CCC[NH+]2CCCCC2)cc1 ZINC000125214298 1037925328 /nfs/dbraw/zinc/92/53/28/1037925328.db2.gz WXEUOKGFMZTNMV-GOSISDBHSA-N 2 0 304.503 3.653 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1Cl ZINC000125334430 1037935547 /nfs/dbraw/zinc/93/55/47/1037935547.db2.gz XYQOMNDVTYIVTM-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCOc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000125415782 1037938145 /nfs/dbraw/zinc/93/81/45/1037938145.db2.gz QLDGIJNVNOAKIX-QFBILLFUSA-N 2 0 312.457 3.681 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000125416010 1037938677 /nfs/dbraw/zinc/93/86/77/1037938677.db2.gz QLDGIJNVNOAKIX-APWZRJJASA-N 2 0 312.457 3.681 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000126222087 1038051029 /nfs/dbraw/zinc/05/10/29/1038051029.db2.gz CYUSLMDQMSVTNW-CYBMUJFWSA-N 2 0 312.404 3.589 20 0 DHADRP Cc1cscc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000494497426 1038127726 /nfs/dbraw/zinc/12/77/26/1038127726.db2.gz RTOFCOHCENFYPC-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP CCCCOc1ccc(C[NH+]2CCC(C[NH2+]CC)CC2)cc1 ZINC000066152282 1038142682 /nfs/dbraw/zinc/14/26/82/1038142682.db2.gz XEENAODDXBGHCI-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000917069214 1038167040 /nfs/dbraw/zinc/16/70/40/1038167040.db2.gz MQQGBOCKTOVVNC-CQSZACIVSA-N 2 0 307.309 3.624 20 0 DHADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000571789677 1038254011 /nfs/dbraw/zinc/25/40/11/1038254011.db2.gz XPMRRCNIGNBNOY-MRXNPFEDSA-N 2 0 304.478 3.762 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1C[NH+]1CCCCC1 ZINC000775383732 1038311304 /nfs/dbraw/zinc/31/13/04/1038311304.db2.gz PGZPQEAWIPFLRD-RYRKJORJSA-N 2 0 316.489 3.988 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000572047914 1038321455 /nfs/dbraw/zinc/32/14/55/1038321455.db2.gz ZYJCWBZDGCNJIY-HNNXBMFYSA-N 2 0 322.880 3.512 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000572473205 1038376424 /nfs/dbraw/zinc/37/64/24/1038376424.db2.gz NHVLAXJVYLFQNY-MAUKXSAKSA-N 2 0 318.530 3.946 20 0 DHADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000775507531 1038599930 /nfs/dbraw/zinc/59/99/30/1038599930.db2.gz AEWBQWWVVTZMGE-DSLXNQLJSA-N 2 0 318.530 3.771 20 0 DHADRP CN(CCC[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC001192261093 1038616453 /nfs/dbraw/zinc/61/64/53/1038616453.db2.gz CJRHKXFZECMHSB-UHFFFAOYSA-N 2 0 317.521 3.567 20 0 DHADRP CC(C)[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC001192535072 1038679716 /nfs/dbraw/zinc/67/97/16/1038679716.db2.gz DEYVFVMMFWJAQY-HXUWFJFHSA-N 2 0 316.489 3.529 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000573790547 1039080594 /nfs/dbraw/zinc/08/05/94/1039080594.db2.gz OUOJCUMFIAPZTQ-INIZCTEOSA-N 2 0 322.880 3.512 20 0 DHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1O2 ZINC000573982834 1039191266 /nfs/dbraw/zinc/19/12/66/1039191266.db2.gz WEJGOSRNJXDVLC-QGZVFWFLSA-N 2 0 314.473 3.753 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168419376 1039555588 /nfs/dbraw/zinc/55/55/88/1039555588.db2.gz BFRRDOMKIYPESG-UFYCRDLUSA-N 2 0 318.480 3.926 20 0 DHADRP CC(C)(C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCC1 ZINC000574726789 1039770907 /nfs/dbraw/zinc/77/09/07/1039770907.db2.gz QNTIHPDSFIWBPR-UHFFFAOYSA-N 2 0 322.443 3.922 20 0 DHADRP CSC1(C[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC[NH+](C)CC1 ZINC000594525616 1039832810 /nfs/dbraw/zinc/83/28/10/1039832810.db2.gz XBOUQBVUVDLIGR-KRWDZBQOSA-N 2 0 318.530 3.708 20 0 DHADRP C[N@@H+](Cc1ccc(SC(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000172534421 1039939247 /nfs/dbraw/zinc/93/92/47/1039939247.db2.gz ASEUDMKRTLKPET-UHFFFAOYSA-N 2 0 314.445 3.775 20 0 DHADRP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606902923 1040031100 /nfs/dbraw/zinc/03/11/00/1040031100.db2.gz GPQAWWKVPFTYRU-GOSISDBHSA-N 2 0 300.490 3.902 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000595100604 1040064778 /nfs/dbraw/zinc/06/47/78/1040064778.db2.gz SOULILAZSYYDAE-DOTOQJQBSA-N 2 0 310.551 3.905 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000063158963 1040136369 /nfs/dbraw/zinc/13/63/69/1040136369.db2.gz QDKVQYXNBGXXRB-UHFFFAOYSA-N 2 0 318.408 3.730 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000534064196 1040693056 /nfs/dbraw/zinc/69/30/56/1040693056.db2.gz QMXQBJLIOQQMOA-MKXGPGLRSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1sccc1Br ZINC000571669501 335000273 /nfs/dbraw/zinc/00/02/73/335000273.db2.gz QMMKCFUMRUQFPE-JBLDHEPKSA-N 2 0 317.296 3.679 20 0 DHADRP C[N@@H+](Cc1cccc(-c2ccccn2)c1)CC1CC[NH+](C)CC1 ZINC000093089095 193202228 /nfs/dbraw/zinc/20/22/28/193202228.db2.gz IQWVHFHHTYUWDW-UHFFFAOYSA-N 2 0 309.457 3.522 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000019905742 182163068 /nfs/dbraw/zinc/16/30/68/182163068.db2.gz GBSOQOBPFLFUEB-GFCCVEGCSA-N 2 0 313.283 3.688 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000020022897 182179946 /nfs/dbraw/zinc/17/99/46/182179946.db2.gz QMRQLMPWKMEAIM-GFCCVEGCSA-N 2 0 300.393 3.526 20 0 DHADRP CC[C@H](CSC)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272756467 130061771 /nfs/dbraw/zinc/06/17/71/130061771.db2.gz KSOCPCYOPZCBRJ-CGTJXYLNSA-N 2 0 306.519 3.628 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000272878346 130071537 /nfs/dbraw/zinc/07/15/37/130071537.db2.gz QBDFFLFPCZNINS-HNNXBMFYSA-N 2 0 318.530 3.946 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CCC(n3ccnc3)CC2)c1C ZINC000273331824 130107901 /nfs/dbraw/zinc/10/79/01/130107901.db2.gz MEZPDIUBBPIDEF-UHFFFAOYSA-N 2 0 306.413 3.890 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279797320 130763908 /nfs/dbraw/zinc/76/39/08/130763908.db2.gz VVBCWHMPOXNWRC-JENIJYKNSA-N 2 0 306.494 3.863 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281305424 130851592 /nfs/dbraw/zinc/85/15/92/130851592.db2.gz RNWWSJAQHGMZCY-LJQANCHMSA-N 2 0 319.468 3.774 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000284525699 131089036 /nfs/dbraw/zinc/08/90/36/131089036.db2.gz WWSMZFUXZZVPOO-KFKAGJAMSA-N 2 0 316.489 3.509 20 0 DHADRP C[C@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287305784 131274165 /nfs/dbraw/zinc/27/41/65/131274165.db2.gz DUDGGKMZTKLORH-RMPXNZIMSA-N 2 0 316.514 3.523 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000340472492 131844640 /nfs/dbraw/zinc/84/46/40/131844640.db2.gz DETOBYMDOIJVGB-AWEZNQCLSA-N 2 0 309.523 3.931 20 0 DHADRP CCS[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297780681 132033788 /nfs/dbraw/zinc/03/37/88/132033788.db2.gz WFJZODFHVQYQCR-AEFFLSMTSA-N 2 0 319.518 3.704 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000297788013 132034049 /nfs/dbraw/zinc/03/40/49/132034049.db2.gz PWNUTZOGAJAWSP-MRXNPFEDSA-N 2 0 313.445 3.866 20 0 DHADRP Cc1ccc(C[NH+](C)C)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000298286850 132054652 /nfs/dbraw/zinc/05/46/52/132054652.db2.gz HBLNIYBAMGYAJT-UHFFFAOYSA-N 2 0 324.472 3.533 20 0 DHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000353605534 132090476 /nfs/dbraw/zinc/09/04/76/132090476.db2.gz CFEYWHVLOHQVDA-QGZVFWFLSA-N 2 0 322.518 3.563 20 0 DHADRP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCn2ccnc2)o1 ZINC000343317125 335070340 /nfs/dbraw/zinc/07/03/40/335070340.db2.gz CALGGYXWGBEFAI-WBVHZDCISA-N 2 0 301.434 3.902 20 0 DHADRP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C2CC2)cc1 ZINC000171127989 332855196 /nfs/dbraw/zinc/85/51/96/332855196.db2.gz FPHDFGLCNQCCPY-NRFANRHFSA-N 2 0 324.468 3.998 20 0 DHADRP Clc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1Cl ZINC000063197969 331488430 /nfs/dbraw/zinc/48/84/30/331488430.db2.gz KWIRGAAHJOCHPC-OAHLLOKOSA-N 2 0 313.272 3.957 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000070188874 331658236 /nfs/dbraw/zinc/65/82/36/331658236.db2.gz FJEDIEWUIJUUOH-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CCOc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000518266726 332002789 /nfs/dbraw/zinc/00/27/89/332002789.db2.gz AUABNZIRRDDJDK-CALCHBBNSA-N 2 0 304.478 3.543 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000518277996 332005879 /nfs/dbraw/zinc/00/58/79/332005879.db2.gz GJFPJQRGRMOJGZ-KRWDZBQOSA-N 2 0 324.468 3.622 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127868961 332008169 /nfs/dbraw/zinc/00/81/69/332008169.db2.gz WMJRKQVDGZQOQD-CGTJXYLNSA-N 2 0 302.462 3.751 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398061 332025467 /nfs/dbraw/zinc/02/54/67/332025467.db2.gz ZDKQYUMKEVKWMP-LSDHHAIUSA-N 2 0 312.379 3.597 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000449348751 332060523 /nfs/dbraw/zinc/06/05/23/332060523.db2.gz VHBGNJSVOOSJAC-WMZOPIPTSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@@H](C[NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000569514060 332118197 /nfs/dbraw/zinc/11/81/97/332118197.db2.gz UWGRBZXTHXHHGL-INIZCTEOSA-N 2 0 306.519 3.597 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000449413466 332153251 /nfs/dbraw/zinc/15/32/51/332153251.db2.gz HDXIYKUZLVTDHZ-INIZCTEOSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000363758248 332241748 /nfs/dbraw/zinc/24/17/48/332241748.db2.gz GVMSTIJDUFJVTI-MJGOQNOKSA-N 2 0 322.537 3.562 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559399462 332256166 /nfs/dbraw/zinc/25/61/66/332256166.db2.gz FIQLZMNKAVINJQ-FUHWJXTLSA-N 2 0 322.880 3.668 20 0 DHADRP CC1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000559841118 332285204 /nfs/dbraw/zinc/28/52/04/332285204.db2.gz IAMPJSYXZZHEHS-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)[C@@H](C)C1 ZINC000560265409 332326277 /nfs/dbraw/zinc/32/62/77/332326277.db2.gz MUZPXAASGAAKPS-OXJNMPFZSA-N 2 0 316.489 3.828 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000560467514 332342327 /nfs/dbraw/zinc/34/23/27/332342327.db2.gz IISQOYAXUJELNV-UHFFFAOYSA-N 2 0 314.473 3.515 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000560577403 332361869 /nfs/dbraw/zinc/36/18/69/332361869.db2.gz SGHLYNKRDURLOQ-UHFFFAOYSA-N 2 0 323.484 3.702 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(F)ccc1F ZINC000564988931 332384507 /nfs/dbraw/zinc/38/45/07/332384507.db2.gz GGASOCXVXODNST-GOSISDBHSA-N 2 0 304.384 3.910 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000561419159 332449203 /nfs/dbraw/zinc/44/92/03/332449203.db2.gz CJJFHSQEEIYOJS-YOEHRIQHSA-N 2 0 309.457 3.915 20 0 DHADRP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1F ZINC000152727826 332491191 /nfs/dbraw/zinc/49/11/91/332491191.db2.gz MYRNJINZPMCMBL-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C1(C3CC3)CC1)c1ccccc1O2 ZINC000562363567 332584634 /nfs/dbraw/zinc/58/46/34/332584634.db2.gz BGRPLSODHMIIFV-KRWDZBQOSA-N 2 0 312.457 3.507 20 0 DHADRP C[NH+]1CCC(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180233496 333027379 /nfs/dbraw/zinc/02/73/79/333027379.db2.gz PYDFYCGGIQBACR-UHFFFAOYSA-N 2 0 308.469 3.750 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCc1ccccc1 ZINC000460351117 333069135 /nfs/dbraw/zinc/06/91/35/333069135.db2.gz RZZNORIEYYTITF-RTBURBONSA-N 2 0 322.496 3.975 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000190835375 335123980 /nfs/dbraw/zinc/12/39/80/335123980.db2.gz FVCHMQBXWDKGPJ-CYBMUJFWSA-N 2 0 312.379 3.588 20 0 DHADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000310763133 333258539 /nfs/dbraw/zinc/25/85/39/333258539.db2.gz NAQSVFJJNLBBHF-SWLSCSKDSA-N 2 0 313.283 3.688 20 0 DHADRP COc1ccc2cc(C[NH2+]CC3(C)CC[NH+](C)CC3)ccc2c1 ZINC000391883385 335130760 /nfs/dbraw/zinc/13/07/60/335130760.db2.gz VOTMVVJAEYBWIP-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000501439482 333273786 /nfs/dbraw/zinc/27/37/86/333273786.db2.gz ABNOVLXTWINGJO-UHFFFAOYSA-N 2 0 312.457 3.609 20 0 DHADRP CC[NH+](CC)Cc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000527303417 333373574 /nfs/dbraw/zinc/37/35/74/333373574.db2.gz REQIJADPGVTEQA-UHFFFAOYSA-N 2 0 315.505 3.815 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CS1 ZINC000488459294 333379918 /nfs/dbraw/zinc/37/99/18/333379918.db2.gz IXADFGPFJJQPJL-WBVHZDCISA-N 2 0 310.482 3.507 20 0 DHADRP CC(C)C[NH+]1CCC(N[C@@H]2CCSc3ccccc32)CC1 ZINC000221942284 333383068 /nfs/dbraw/zinc/38/30/68/333383068.db2.gz BXILVKFYOYMASE-QGZVFWFLSA-N 2 0 304.503 3.934 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000390776563 333392215 /nfs/dbraw/zinc/39/22/15/333392215.db2.gz OZWBTDZPEAKLLD-HKUYNNGSSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]([NH2+]CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390810409 333394802 /nfs/dbraw/zinc/39/48/02/333394802.db2.gz SPQQBOAPAGHYGM-RXVVDRJESA-N 2 0 308.469 3.729 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000563153629 333398109 /nfs/dbraw/zinc/39/81/09/333398109.db2.gz BWJCSZVPSOBFHJ-FQEVSTJZSA-N 2 0 322.452 3.638 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000531688116 333544706 /nfs/dbraw/zinc/54/47/06/333544706.db2.gz QIFATWKYTVBPBB-HXUWFJFHSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000271384243 334022527 /nfs/dbraw/zinc/02/25/27/334022527.db2.gz IWDRUOSARFQHCA-KRWDZBQOSA-N 2 0 309.457 3.837 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000414653930 334055086 /nfs/dbraw/zinc/05/50/86/334055086.db2.gz FLSZUADUJPXCEK-BEFAXECRSA-N 2 0 310.441 3.531 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000414652577 334055331 /nfs/dbraw/zinc/05/53/31/334055331.db2.gz DLGVFDREYZPACF-HNAYVOBHSA-N 2 0 310.441 3.531 20 0 DHADRP C[NH2+]CCC1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000414655612 334056313 /nfs/dbraw/zinc/05/63/13/334056313.db2.gz DJPGCXHMJYSMFH-UXHICEINSA-N 2 0 300.490 3.818 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cc2)cc1 ZINC000414658366 334058627 /nfs/dbraw/zinc/05/86/27/334058627.db2.gz JHLSHOGOAPRHJM-XLIONFOSSA-N 2 0 324.468 3.743 20 0 DHADRP COc1ccccc1-c1ccc(CN2CCCC[C@@H]2C[NH3+])cc1 ZINC000414659127 334059035 /nfs/dbraw/zinc/05/90/35/334059035.db2.gz RZPIOTRABGIYAK-GOSISDBHSA-N 2 0 310.441 3.675 20 0 DHADRP COc1ccccc1-c1ccc(CN2CCCC[C@H]2C[NH3+])cc1 ZINC000414659128 334059048 /nfs/dbraw/zinc/05/90/48/334059048.db2.gz RZPIOTRABGIYAK-SFHVURJKSA-N 2 0 310.441 3.675 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000572864741 334060398 /nfs/dbraw/zinc/06/03/98/334060398.db2.gz CHNJUTDTAPZKPW-QRVBRYPASA-N 2 0 300.490 3.735 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000414662863 334060968 /nfs/dbraw/zinc/06/09/68/334060968.db2.gz RLFAFYPKNOVFNA-JXFKEZNVSA-N 2 0 324.468 3.840 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414669132 334063836 /nfs/dbraw/zinc/06/38/36/334063836.db2.gz KEFBFVNHFGSCTA-YSIASYRMSA-N 2 0 322.452 3.531 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000343531773 335175431 /nfs/dbraw/zinc/17/54/31/335175431.db2.gz OGSYIPSOWXKMGI-MIALQEHNSA-N 2 0 316.489 3.714 20 0 DHADRP CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000414718538 334073578 /nfs/dbraw/zinc/07/35/78/334073578.db2.gz RYOZJXLYWAFPBI-CQSZACIVSA-N 2 0 318.358 3.809 20 0 DHADRP CC[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414720192 334073650 /nfs/dbraw/zinc/07/36/50/334073650.db2.gz XLWKEJCILVFUFI-CQSZACIVSA-N 2 0 316.367 3.549 20 0 DHADRP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCC[C@H]1C ZINC000414729262 334074705 /nfs/dbraw/zinc/07/47/05/334074705.db2.gz QNPUJMZZPPGLIA-OIISXLGYSA-N 2 0 321.534 3.689 20 0 DHADRP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCC[C@@H]1C ZINC000414729263 334074897 /nfs/dbraw/zinc/07/48/97/334074897.db2.gz QNPUJMZZPPGLIA-UAGQMJEPSA-N 2 0 321.534 3.689 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CCC[NH3+] ZINC000414732681 334074972 /nfs/dbraw/zinc/07/49/72/334074972.db2.gz CYDLJMXDLLTGEC-AWEZNQCLSA-N 2 0 303.475 3.769 20 0 DHADRP CC(C)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCc2cccnc21 ZINC000414740009 334079322 /nfs/dbraw/zinc/07/93/22/334079322.db2.gz CVVODVLIKNAMDA-YQVWRLOYSA-N 2 0 315.505 3.805 20 0 DHADRP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1Cl ZINC000414775404 334091343 /nfs/dbraw/zinc/09/13/43/334091343.db2.gz ZWXIYNJCOQDATR-PHIMTYICSA-N 2 0 317.235 3.564 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414799634 334101957 /nfs/dbraw/zinc/10/19/57/334101957.db2.gz KEUAQNZNJGLTHH-XHDPSFHLSA-N 2 0 301.261 3.643 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414799630 334101977 /nfs/dbraw/zinc/10/19/77/334101977.db2.gz KEUAQNZNJGLTHH-IAQYHMDHSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000414808123 334104721 /nfs/dbraw/zinc/10/47/21/334104721.db2.gz KFLHIOHOUQHQOT-GFCCVEGCSA-N 2 0 306.356 3.598 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000414809885 334104788 /nfs/dbraw/zinc/10/47/88/334104788.db2.gz UUAQQIJQZBRVLJ-UNFQPLIOSA-N 2 0 316.489 3.829 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414822228 334108315 /nfs/dbraw/zinc/10/83/15/334108315.db2.gz MVQUUADYFRMNAB-FRRDWIJNSA-N 2 0 300.899 3.700 20 0 DHADRP FC(F)Oc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414821298 334108485 /nfs/dbraw/zinc/10/84/85/334108485.db2.gz AXDJOWDVTGQYJA-ZDUSSCGKSA-N 2 0 320.383 3.530 20 0 DHADRP C[C@@H](C[NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414831356 334110136 /nfs/dbraw/zinc/11/01/36/334110136.db2.gz DAHGBAGZPLDHKL-KBPBESRZSA-N 2 0 314.395 3.788 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H](C[NH3+])C3CCCCC3)CC2)C1 ZINC000414835773 334111396 /nfs/dbraw/zinc/11/13/96/334111396.db2.gz HTSBOWGGSKOVEK-NSISKUIASA-N 2 0 321.553 3.527 20 0 DHADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414840160 334112267 /nfs/dbraw/zinc/11/22/67/334112267.db2.gz XYUCCAKUDATMRD-CIQAELJKSA-N 2 0 304.865 3.849 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414845331 334115332 /nfs/dbraw/zinc/11/53/32/334115332.db2.gz SIWNNQNKPBRQHH-HFTRVMKXSA-N 2 0 306.881 3.955 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414845332 334115360 /nfs/dbraw/zinc/11/53/60/334115360.db2.gz SIWNNQNKPBRQHH-QILLFSRXSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414847302 334119528 /nfs/dbraw/zinc/11/95/28/334119528.db2.gz IUBDEGPKRGFWGJ-HNNXBMFYSA-N 2 0 315.486 3.598 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414850183 334123280 /nfs/dbraw/zinc/12/32/80/334123280.db2.gz YZBXVRVPBISUJG-QWHCGFSZSA-N 2 0 300.899 3.702 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000281373752 334125668 /nfs/dbraw/zinc/12/56/68/334125668.db2.gz WTGHCPNJLZVKTD-IRXDYDNUSA-N 2 0 303.494 3.594 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414858325 334131739 /nfs/dbraw/zinc/13/17/39/334131739.db2.gz RKFILMAKIAHWDX-GOEBONIOSA-N 2 0 300.471 3.893 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414862335 334133366 /nfs/dbraw/zinc/13/33/66/334133366.db2.gz XIEIEUQUDHLGCY-MEWCUZTCSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414865674 334135852 /nfs/dbraw/zinc/13/58/52/334135852.db2.gz ZLJUUVSXUPXIID-WSCVDHEUSA-N 2 0 300.490 3.865 20 0 DHADRP C[C@@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414897989 334161283 /nfs/dbraw/zinc/16/12/83/334161283.db2.gz AOLAOURULKYNRI-BBRMVZONSA-N 2 0 314.395 3.788 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000292805361 334192653 /nfs/dbraw/zinc/19/26/53/334192653.db2.gz LAZNJKVNYHBTPU-OALUTQOASA-N 2 0 304.478 3.569 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414934517 334197134 /nfs/dbraw/zinc/19/71/34/334197134.db2.gz FCURESGZFRVRQP-DJSGYFEHSA-N 2 0 315.288 3.902 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414949447 334206360 /nfs/dbraw/zinc/20/63/60/334206360.db2.gz NLEHGEQNKNNAQI-BEKAIBRUSA-N 2 0 316.489 3.840 20 0 DHADRP FC(F)(F)c1cc(Cl)cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414964041 334213467 /nfs/dbraw/zinc/21/34/67/334213467.db2.gz LMGQFCKJDQZHAE-AWEZNQCLSA-N 2 0 320.786 3.981 20 0 DHADRP FC(F)(F)c1cc(Cl)cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414964043 334213484 /nfs/dbraw/zinc/21/34/84/334213484.db2.gz LMGQFCKJDQZHAE-CQSZACIVSA-N 2 0 320.786 3.981 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414992001 334230733 /nfs/dbraw/zinc/23/07/33/334230733.db2.gz BKUYVSOMYPVIJF-IAAVTCLWSA-N 2 0 304.453 3.687 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000415000886 334239811 /nfs/dbraw/zinc/23/98/11/334239811.db2.gz UFZCFEUXXCREFZ-ZWNOBZJWSA-N 2 0 318.795 3.549 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415002666 334240530 /nfs/dbraw/zinc/24/05/30/334240530.db2.gz WDWPNWVXUCYYRF-ZWNOBZJWSA-N 2 0 320.786 3.966 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000415004974 334245619 /nfs/dbraw/zinc/24/56/19/334245619.db2.gz YNMOYFKMIASMSO-UYAOXDASSA-N 2 0 324.468 3.873 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006678 334247974 /nfs/dbraw/zinc/24/79/74/334247974.db2.gz KVIQBTJNKMXWEA-AYOQOUSVSA-N 2 0 300.490 3.721 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)cc1Br ZINC000415009219 334252479 /nfs/dbraw/zinc/25/24/79/334252479.db2.gz FBTQWVXKINJUJQ-SNVBAGLBSA-N 2 0 319.674 3.710 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000415026100 334259873 /nfs/dbraw/zinc/25/98/73/334259873.db2.gz RZISFMYTHHQIOJ-JOCQHMNTSA-N 2 0 300.368 3.560 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000415025868 334259934 /nfs/dbraw/zinc/25/99/34/334259934.db2.gz RJYZXPUVVZSYFP-JOCQHMNTSA-N 2 0 321.515 3.726 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000415028054 334260136 /nfs/dbraw/zinc/26/01/36/334260136.db2.gz BYUVNBFNMBCUMV-DOMZBBRYSA-N 2 0 304.434 3.771 20 0 DHADRP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000415033833 334260230 /nfs/dbraw/zinc/26/02/30/334260230.db2.gz CCGFTSDVNZLTJN-TZIWHRDSSA-N 2 0 321.468 3.713 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000415047065 334261456 /nfs/dbraw/zinc/26/14/56/334261456.db2.gz DORGISFUHVKHFI-MOPGFXCFSA-N 2 0 314.860 3.877 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000415048238 334261531 /nfs/dbraw/zinc/26/15/31/334261531.db2.gz WRKBASRMYAFDTO-BBRMVZONSA-N 2 0 322.880 3.878 20 0 DHADRP CC(C)c1cnc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415054415 334261739 /nfs/dbraw/zinc/26/17/39/334261739.db2.gz NLKQQDXYGWXEQF-HNNXBMFYSA-N 2 0 303.475 3.836 20 0 DHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415059361 334262123 /nfs/dbraw/zinc/26/21/23/334262123.db2.gz IYPQLDGOOWVOEB-MRXNPFEDSA-N 2 0 314.477 3.603 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000415075894 334267288 /nfs/dbraw/zinc/26/72/88/334267288.db2.gz FVUVBXXIVPTVGW-UHFFFAOYSA-N 2 0 318.505 3.588 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000187763674 334271392 /nfs/dbraw/zinc/27/13/92/334271392.db2.gz YYXHCZGVBOWSDX-AWEZNQCLSA-N 2 0 306.475 3.520 20 0 DHADRP C[C@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415089810 334279946 /nfs/dbraw/zinc/27/99/46/334279946.db2.gz YDQNKXWGFQJBOV-ABAIWWIYSA-N 2 0 301.261 3.686 20 0 DHADRP c1ccc2c(c1)C1C[C@H](C[NH2+]C3CC[NH2+]CC3)C2c2ccccc21 ZINC000415110962 334281904 /nfs/dbraw/zinc/28/19/04/334281904.db2.gz QUPZEMJXNBEYIU-IYJORBIASA-N 2 0 318.464 3.625 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)s2)cc1 ZINC000415103244 334282940 /nfs/dbraw/zinc/28/29/40/334282940.db2.gz CYGWBUDWQXOXAJ-GOEBONIOSA-N 2 0 315.486 3.535 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415115496 334283689 /nfs/dbraw/zinc/28/36/89/334283689.db2.gz YLUGCBLTKCFPRC-MDNKFWRPSA-N 2 0 316.489 3.665 20 0 DHADRP CCCC1CCC(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000415118407 334283983 /nfs/dbraw/zinc/28/39/83/334283983.db2.gz DDZVQOISQYBKAB-ZYKFHVCXSA-N 2 0 322.537 3.811 20 0 DHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000415129313 334285307 /nfs/dbraw/zinc/28/53/07/334285307.db2.gz UIOLKIFDMFYYIB-RTWAWAEBSA-N 2 0 324.468 3.558 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H](CC)C1CCOCC1)[NH+]1CCCC1 ZINC000531946530 334304694 /nfs/dbraw/zinc/30/46/94/334304694.db2.gz GCTNPHHWTTZIMF-OALUTQOASA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000531962007 334312635 /nfs/dbraw/zinc/31/26/35/334312635.db2.gz KUEKSKZEQOGWFZ-UZLBHIALSA-N 2 0 310.441 3.909 20 0 DHADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342822053 334581144 /nfs/dbraw/zinc/58/11/44/334581144.db2.gz FGSCMVQYEWRYIA-HZPDHXFCSA-N 2 0 304.478 3.684 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417343826 334705996 /nfs/dbraw/zinc/70/59/96/334705996.db2.gz QZZZEAXFMFKNKT-XOKHGSTOSA-N 2 0 304.503 3.847 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426016464 334899102 /nfs/dbraw/zinc/89/91/02/334899102.db2.gz IRXUGHWDJBWJSG-INIZCTEOSA-N 2 0 318.461 3.750 20 0 DHADRP CCCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000344003468 335212009 /nfs/dbraw/zinc/21/20/09/335212009.db2.gz IUQRKVRILQWKPN-HXUWFJFHSA-N 2 0 317.521 3.535 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCC2 ZINC000344080854 335215978 /nfs/dbraw/zinc/21/59/78/335215978.db2.gz WPSSTCJIDSRXMW-MSOLQXFVSA-N 2 0 308.510 3.580 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344168777 335226864 /nfs/dbraw/zinc/22/68/64/335226864.db2.gz LMJVIRXSNFRJKK-IBGZPJMESA-N 2 0 304.453 3.915 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344300309 335238450 /nfs/dbraw/zinc/23/84/50/335238450.db2.gz ULNGQKRXUBACFT-QGZVFWFLSA-N 2 0 320.864 3.714 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000344303961 335238754 /nfs/dbraw/zinc/23/87/54/335238754.db2.gz MOGDXNBLESVULR-INIZCTEOSA-N 2 0 307.441 3.661 20 0 DHADRP C[C@@H]1CCC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000344909179 335284905 /nfs/dbraw/zinc/28/49/05/335284905.db2.gz ZRXRIJVYYKVDLF-CVEARBPZSA-N 2 0 316.493 3.603 20 0 DHADRP CC[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000345191149 335306528 /nfs/dbraw/zinc/30/65/28/335306528.db2.gz QUKGAQOIEFNDBS-AWEZNQCLSA-N 2 0 300.368 3.669 20 0 DHADRP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345214172 335308173 /nfs/dbraw/zinc/30/81/73/335308173.db2.gz WRISOAVWZTZTMA-CYBMUJFWSA-N 2 0 301.261 3.957 20 0 DHADRP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc2cccnc12 ZINC000346145485 335381304 /nfs/dbraw/zinc/38/13/04/335381304.db2.gz SKBWZJYFXYXDMJ-UHFFFAOYSA-N 2 0 311.473 3.848 20 0 DHADRP CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346221069 335385667 /nfs/dbraw/zinc/38/56/67/335385667.db2.gz NROFTQBLYBOTLV-BEFAXECRSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1cccc2c(NCC3CC[NH+](C4CC4)CC3)c(C)c[nH+]c12 ZINC000444876925 338491233 /nfs/dbraw/zinc/49/12/33/338491233.db2.gz VQELJUBIZOLABA-UHFFFAOYSA-N 2 0 309.457 3.560 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367081940 335643831 /nfs/dbraw/zinc/64/38/31/335643831.db2.gz WLURQHXTYSCHOS-XLIONFOSSA-N 2 0 315.505 3.962 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000350175961 335732216 /nfs/dbraw/zinc/73/22/16/335732216.db2.gz KOFORBADQOJQFI-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417952512 336026867 /nfs/dbraw/zinc/02/68/67/336026867.db2.gz MZZYUGCSYGZVKD-IHPCNDPISA-N 2 0 300.490 3.748 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000324467917 336221825 /nfs/dbraw/zinc/22/18/25/336221825.db2.gz CUGOJLHFYNJHBO-UHFFFAOYSA-N 2 0 316.420 3.907 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000352504054 336222117 /nfs/dbraw/zinc/22/21/17/336222117.db2.gz MPVGHUWUBKIRGB-AWEZNQCLSA-N 2 0 303.837 3.592 20 0 DHADRP Fc1ccccc1-c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000352527025 336222847 /nfs/dbraw/zinc/22/28/47/336222847.db2.gz VISRZGDWMUAMCP-LJQANCHMSA-N 2 0 314.404 3.661 20 0 DHADRP CCc1ccc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000352734329 336233009 /nfs/dbraw/zinc/23/30/09/336233009.db2.gz WWKCDPFVPQIBHA-NRFANRHFSA-N 2 0 323.484 3.788 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c(n1)CCCC2 ZINC000532449662 336246888 /nfs/dbraw/zinc/24/68/88/336246888.db2.gz MLWKLJOCZMIJFG-KRWDZBQOSA-N 2 0 315.848 3.692 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000532519166 336253539 /nfs/dbraw/zinc/25/35/39/336253539.db2.gz METVJOHJGTZLED-QGZVFWFLSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000580363606 336260341 /nfs/dbraw/zinc/26/03/41/336260341.db2.gz GFRXXENDZVMQMS-IPMKNSEASA-N 2 0 315.505 3.736 20 0 DHADRP [NH3+]CCCOC1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000325282876 336282345 /nfs/dbraw/zinc/28/23/45/336282345.db2.gz JFIUBUBLJSFHPE-UHFFFAOYSA-N 2 0 322.452 3.586 20 0 DHADRP Cc1cc(NC[C@H](c2cccs2)[NH+](C)C)nc(C(C)C)n1 ZINC000301062601 336287952 /nfs/dbraw/zinc/28/79/52/336287952.db2.gz MPUWJOLDIULTGN-CYBMUJFWSA-N 2 0 304.463 3.685 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000302076432 336347356 /nfs/dbraw/zinc/34/73/56/336347356.db2.gz JJIWHRVJOGXJHU-UHFFFAOYSA-N 2 0 318.424 3.573 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000302220309 336354635 /nfs/dbraw/zinc/35/46/35/336354635.db2.gz MADYMJGWAALWIA-JXFKEZNVSA-N 2 0 321.468 3.996 20 0 DHADRP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000302567184 336361817 /nfs/dbraw/zinc/36/18/17/336361817.db2.gz NTSPDWABSGMZHH-HNNXBMFYSA-N 2 0 301.459 3.776 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000320856981 336374425 /nfs/dbraw/zinc/37/44/25/336374425.db2.gz AYCQZSRLJOEVEN-AUUYWEPGSA-N 2 0 309.457 3.619 20 0 DHADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000353024282 336380493 /nfs/dbraw/zinc/38/04/93/336380493.db2.gz ZQRMRXHCFUZHSE-MAUKXSAKSA-N 2 0 304.503 3.514 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2ccccc2Br)CC1 ZINC000110643968 336397049 /nfs/dbraw/zinc/39/70/49/336397049.db2.gz RBTZYYQXDSCEOX-VXGBXAGGSA-N 2 0 311.267 3.569 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC[NH+](C)CC1 ZINC000353641587 336430987 /nfs/dbraw/zinc/43/09/87/336430987.db2.gz JDDFRVBXWYVWER-HNNXBMFYSA-N 2 0 318.530 3.653 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356770307 336560410 /nfs/dbraw/zinc/56/04/10/336560410.db2.gz IUPKGLQBCVHWEU-QGZVFWFLSA-N 2 0 302.462 3.530 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCCO2 ZINC000356825901 336562119 /nfs/dbraw/zinc/56/21/19/336562119.db2.gz AWURHMFBHKQBEC-GOSISDBHSA-N 2 0 316.489 3.839 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000356865064 336563807 /nfs/dbraw/zinc/56/38/07/336563807.db2.gz LBBASZROMXXXGO-AWEZNQCLSA-N 2 0 315.436 3.696 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCSc2ccccc21)C[NH+]1CCCC1 ZINC000357849809 336601488 /nfs/dbraw/zinc/60/14/88/336601488.db2.gz MHZLSDKIDFFDSD-MRXNPFEDSA-N 2 0 304.503 3.935 20 0 DHADRP C=Cc1ccc(CC[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000361136880 336740468 /nfs/dbraw/zinc/74/04/68/336740468.db2.gz SJPZWXVHANNAQK-UHFFFAOYSA-N 2 0 318.424 3.551 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000361927172 336778479 /nfs/dbraw/zinc/77/84/79/336778479.db2.gz RSIXYTVXOTWHIS-SJORKVTESA-N 2 0 312.885 3.738 20 0 DHADRP CC(C)C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000371486410 336906149 /nfs/dbraw/zinc/90/61/49/336906149.db2.gz WPHNLBORXIYCNO-ICSRJNTNSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)c1nccn1[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000375860132 337021702 /nfs/dbraw/zinc/02/17/02/337021702.db2.gz LRRAFIMMVPNPAX-HNNXBMFYSA-N 2 0 318.852 3.892 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376410705 337032873 /nfs/dbraw/zinc/03/28/73/337032873.db2.gz CFSXKTAPWPNTFW-VIQWUECVSA-N 2 0 308.510 3.580 20 0 DHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccn(C)c2)CC1 ZINC000123284106 337041947 /nfs/dbraw/zinc/04/19/47/337041947.db2.gz MUMZFFGERAABAZ-UHFFFAOYSA-N 2 0 311.473 3.547 20 0 DHADRP C[C@@H]1C[C@@H](N(C)Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000123488740 337048668 /nfs/dbraw/zinc/04/86/68/337048668.db2.gz CDPMHZKYZYRWDH-HIFRSBDPSA-N 2 0 317.864 3.803 20 0 DHADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000377763569 337060460 /nfs/dbraw/zinc/06/04/60/337060460.db2.gz RILJHZDSKWUFGC-RXVVDRJESA-N 2 0 319.452 3.951 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CCC(C(F)(F)F)CC2)C1 ZINC000377839042 337062438 /nfs/dbraw/zinc/06/24/38/337062438.db2.gz FRCLTZVXFKRDMY-KNIAUWFNSA-N 2 0 318.427 3.771 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)[C@H]1c1ccccc1 ZINC000378513531 337074747 /nfs/dbraw/zinc/07/47/47/337074747.db2.gz BJIPCDQFQDFNFL-KZNAEPCWSA-N 2 0 316.489 3.615 20 0 DHADRP CC(C)c1nccc(NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000171675425 337087195 /nfs/dbraw/zinc/08/71/95/337087195.db2.gz SRNITDBFWMRRMK-UHFFFAOYSA-N 2 0 310.445 3.808 20 0 DHADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582472036 337095348 /nfs/dbraw/zinc/09/53/48/337095348.db2.gz XUXITXSXNFJOAP-RDTXWAMCSA-N 2 0 311.429 3.557 20 0 DHADRP CC(C)[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000582502659 337099196 /nfs/dbraw/zinc/09/91/96/337099196.db2.gz NNGYSCIYZPVEIU-UXHICEINSA-N 2 0 300.490 3.844 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000584358888 337102303 /nfs/dbraw/zinc/10/23/03/337102303.db2.gz JXXGSACUONFLHD-NVXWUHKLSA-N 2 0 312.457 3.939 20 0 DHADRP CSC1(C[NH2+]C2CC(c3ccc(C)cc3)C2)CC[NH+](C)CC1 ZINC000582636650 337116606 /nfs/dbraw/zinc/11/66/06/337116606.db2.gz MRUGVTMSUCHUCZ-UHFFFAOYSA-N 2 0 318.530 3.658 20 0 DHADRP Cc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cc(C)c1O ZINC000582752464 337133795 /nfs/dbraw/zinc/13/37/95/337133795.db2.gz VXMPCJZNXBSOOE-UHFFFAOYSA-N 2 0 304.478 3.755 20 0 DHADRP CC(C)([NH2+]Cc1cccc2nccn21)c1ccc(F)c(F)c1 ZINC000179429133 337169388 /nfs/dbraw/zinc/16/93/88/337169388.db2.gz SCOMLCJLCRCLNR-UHFFFAOYSA-N 2 0 301.340 3.637 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000181517942 337182656 /nfs/dbraw/zinc/18/26/56/337182656.db2.gz YGWIPRCGXGDBPH-CZUORRHYSA-N 2 0 309.523 3.779 20 0 DHADRP CCc1noc([C@H](C)N2CCC(CCC[NH+](CC)CC)CC2)n1 ZINC000182777126 337189740 /nfs/dbraw/zinc/18/97/40/337189740.db2.gz FLQJRAOTXLPDHF-HNNXBMFYSA-N 2 0 322.497 3.527 20 0 DHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000469866145 337196075 /nfs/dbraw/zinc/19/60/75/337196075.db2.gz XKYKBGCMMLNZOO-QWHCGFSZSA-N 2 0 304.434 3.723 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000583220723 337277674 /nfs/dbraw/zinc/27/76/74/337277674.db2.gz VAVKAZGOHUCAKB-ACRUOGEOSA-N 2 0 321.468 3.711 20 0 DHADRP C[C@H]1CC[C@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)O1 ZINC000190654794 337289520 /nfs/dbraw/zinc/28/95/20/337289520.db2.gz IKGQDWYPAVHAIG-PIKOESSRSA-N 2 0 316.489 3.539 20 0 DHADRP CCCCOc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192686076 337306895 /nfs/dbraw/zinc/30/68/95/337306895.db2.gz RZROKIFWCSJGOS-YQQQUEKLSA-N 2 0 316.489 3.623 20 0 DHADRP Fc1cc(CN2CCC(Nc3ccccn3)CC2)ccc1Cl ZINC000525953834 337310308 /nfs/dbraw/zinc/31/03/08/337310308.db2.gz QQUXDQJVEAOQNF-UHFFFAOYSA-N 2 0 319.811 3.951 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000583862528 337354153 /nfs/dbraw/zinc/35/41/53/337354153.db2.gz LKCZZZJAMFFOPT-PKOBYXMFSA-N 2 0 312.542 3.641 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000584524168 337355272 /nfs/dbraw/zinc/35/52/72/337355272.db2.gz OBLLEXVACRTELV-CADBVGFASA-N 2 0 315.505 3.771 20 0 DHADRP c1cn(C2CCN(Cc3csc(C4CCCC4)n3)CC2)cn1 ZINC000111243134 337389541 /nfs/dbraw/zinc/38/95/41/337389541.db2.gz KNIZWDQAYNVQAB-UHFFFAOYSA-N 2 0 316.474 3.834 20 0 DHADRP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323172 337500063 /nfs/dbraw/zinc/50/00/63/337500063.db2.gz AYJWVECNKZBINU-KURKYZTESA-N 2 0 322.880 3.619 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000421368064 337532801 /nfs/dbraw/zinc/53/28/01/337532801.db2.gz FSMSKTAFTDPYLB-UHFFFAOYSA-N 2 0 308.510 3.719 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421371567 337533152 /nfs/dbraw/zinc/53/31/52/337533152.db2.gz LAVCRGFFLGHVDU-ODIFPOPNSA-N 2 0 306.519 3.802 20 0 DHADRP C[C@@]1(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261731306 337609309 /nfs/dbraw/zinc/60/93/09/337609309.db2.gz HGLNDQZODYWOQJ-MRXNPFEDSA-N 2 0 310.844 3.600 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccncc1Cl ZINC000421822008 337649303 /nfs/dbraw/zinc/64/93/03/337649303.db2.gz VIMGFXOGQQVSHG-OAHLLOKOSA-N 2 0 309.885 3.898 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421878701 337658294 /nfs/dbraw/zinc/65/82/94/337658294.db2.gz NTKGCCQVGUBIKL-ZOJXTTQQSA-N 2 0 316.489 3.880 20 0 DHADRP CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422686872 337683376 /nfs/dbraw/zinc/68/33/76/337683376.db2.gz AWKSKIOAVPDEFW-RTWAWAEBSA-N 2 0 323.484 3.763 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000422703881 337683674 /nfs/dbraw/zinc/68/36/74/337683674.db2.gz JEDWIKFYRLKYPG-WMLDXEAASA-N 2 0 310.457 3.726 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCCCCC1 ZINC000422737612 337684548 /nfs/dbraw/zinc/68/45/48/337684548.db2.gz ZYHXQCIDESPMLR-MJGOQNOKSA-N 2 0 300.446 3.555 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccs1 ZINC000422746765 337684813 /nfs/dbraw/zinc/68/48/13/337684813.db2.gz XIEROROMWZRAAF-GDBMZVCRSA-N 2 0 302.487 3.574 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422754593 337685301 /nfs/dbraw/zinc/68/53/01/337685301.db2.gz FBHTZHMSEBHPON-PBHICJAKSA-N 2 0 300.471 3.538 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000422766840 337685578 /nfs/dbraw/zinc/68/55/78/337685578.db2.gz MJNSSKHZBLYALD-RTBURBONSA-N 2 0 306.494 3.851 20 0 DHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422769299 337685782 /nfs/dbraw/zinc/68/57/82/337685782.db2.gz ONZMYCHUWNSXIX-KZNAEPCWSA-N 2 0 318.892 3.882 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(Br)s1 ZINC000422826624 337688340 /nfs/dbraw/zinc/68/83/40/337688340.db2.gz RDPKWWZFHSDCHI-NXEZZACHSA-N 2 0 305.285 3.679 20 0 DHADRP [NH3+][C@@H]1C[C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000422802250 337687271 /nfs/dbraw/zinc/68/72/71/337687271.db2.gz DDXCDSUPJFGRFK-RTWAWAEBSA-N 2 0 321.468 3.517 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])c2)cc1 ZINC000422829479 337688243 /nfs/dbraw/zinc/68/82/43/337688243.db2.gz UOZQHADECHXTBL-KBXCAEBGSA-N 2 0 316.470 3.641 20 0 DHADRP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422826668 337688271 /nfs/dbraw/zinc/68/82/71/337688271.db2.gz LRUPGLOURVSWOD-CKQIIDDLSA-N 2 0 322.399 3.538 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825570 337688280 /nfs/dbraw/zinc/68/82/80/337688280.db2.gz JSMRSDRRUZDGAF-JLZZUVOBSA-N 2 0 324.415 3.643 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000422829481 337688309 /nfs/dbraw/zinc/68/83/09/337688309.db2.gz UOZQHADECHXTBL-KDOFPFPSSA-N 2 0 316.470 3.641 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422840324 337688603 /nfs/dbraw/zinc/68/86/03/337688603.db2.gz BIYZOVGYNWRQFM-AWEZNQCLSA-N 2 0 317.408 3.620 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccccc2C)CCCCC1 ZINC000422858703 337689151 /nfs/dbraw/zinc/68/91/51/337689151.db2.gz IULVNSWPODAZQD-GOSISDBHSA-N 2 0 318.505 3.540 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422875221 337689558 /nfs/dbraw/zinc/68/95/58/337689558.db2.gz CGRBFLBCECVFQC-CRAIPNDOSA-N 2 0 304.453 3.615 20 0 DHADRP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422873692 337689561 /nfs/dbraw/zinc/68/95/61/337689561.db2.gz LTIRLZNOAGQNKJ-IMFGXOCKSA-N 2 0 314.473 3.801 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422878156 337689688 /nfs/dbraw/zinc/68/96/88/337689688.db2.gz SODJJZTWIZRBRM-IPMKNSEASA-N 2 0 316.489 3.793 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422885526 337690126 /nfs/dbraw/zinc/69/01/26/337690126.db2.gz GXCUOHLLHGLMMD-AWEZNQCLSA-N 2 0 322.456 3.613 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422887195 337690182 /nfs/dbraw/zinc/69/01/82/337690182.db2.gz KIUXNYKUHPJQRV-IIBYNOLFSA-N 2 0 321.468 3.649 20 0 DHADRP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422935294 337692309 /nfs/dbraw/zinc/69/23/09/337692309.db2.gz HDJOTHHVBONFJW-ADXGEFSYSA-N 2 0 322.537 3.586 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1csc2ccccc12 ZINC000422935615 337692422 /nfs/dbraw/zinc/69/24/22/337692422.db2.gz LFEUBIPCBWHJRO-DNVCBOLYSA-N 2 0 324.493 3.992 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422937766 337692537 /nfs/dbraw/zinc/69/25/37/337692537.db2.gz ORRILXPJZRJLBR-QWHCGFSZSA-N 2 0 303.475 3.897 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000422939777 337692671 /nfs/dbraw/zinc/69/26/71/337692671.db2.gz RSBSATYUEIMNHG-IAQYHMDHSA-N 2 0 311.267 3.544 20 0 DHADRP Cc1cccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])c2)c1 ZINC000422903943 337693296 /nfs/dbraw/zinc/69/32/96/337693296.db2.gz GCTRBTBTRGMJPP-ORYQWCPZSA-N 2 0 324.468 3.504 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423015688 337695688 /nfs/dbraw/zinc/69/56/88/337695688.db2.gz AMTKLYWOWKZAOE-KSSFIOAISA-N 2 0 317.864 3.736 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)cs1 ZINC000423278377 337708938 /nfs/dbraw/zinc/70/89/38/337708938.db2.gz PSHPWSUCKNYYHN-HOSYDEDBSA-N 2 0 317.296 3.679 20 0 DHADRP CC(C)C(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423055607 337697396 /nfs/dbraw/zinc/69/73/96/337697396.db2.gz DMOARQMUMLCOGV-APWZRJJASA-N 2 0 302.462 3.514 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423063973 337697932 /nfs/dbraw/zinc/69/79/32/337697932.db2.gz QFKSALXVUULFON-AWEZNQCLSA-N 2 0 310.432 3.884 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cc(F)cc(Br)c1 ZINC000423063595 337698067 /nfs/dbraw/zinc/69/80/67/337698067.db2.gz PIBYLWPEQHSVJG-QMTHXVAHSA-N 2 0 317.246 3.756 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092022 337698938 /nfs/dbraw/zinc/69/89/38/337698938.db2.gz AEJMDKUXWLGSPA-RRCSTGOVSA-N 2 0 312.379 3.668 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423094741 337699248 /nfs/dbraw/zinc/69/92/48/337699248.db2.gz KQWUFLWEFKWGKT-OUEOUJKYSA-N 2 0 316.464 3.972 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423098534 337699377 /nfs/dbraw/zinc/69/93/77/337699377.db2.gz SCQIUBXCDNWTQZ-PDKWGQGHSA-N 2 0 310.844 3.645 20 0 DHADRP COCCC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423108016 337699979 /nfs/dbraw/zinc/69/99/79/337699979.db2.gz QLOIDINTFKSPDD-YXJHDRRASA-N 2 0 324.896 3.580 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423136178 337701167 /nfs/dbraw/zinc/70/11/67/337701167.db2.gz USZPLYYEXVBILC-ZLGUVYLKSA-N 2 0 308.469 3.728 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC000423137042 337701303 /nfs/dbraw/zinc/70/13/03/337701303.db2.gz VYMLCVZOJJBXGH-LJQANCHMSA-N 2 0 304.478 3.578 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155971 337702039 /nfs/dbraw/zinc/70/20/39/337702039.db2.gz KIDQCYXINBDBQA-HQRMLTQVSA-N 2 0 314.473 3.967 20 0 DHADRP [NH3+]CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423184748 337702848 /nfs/dbraw/zinc/70/28/48/337702848.db2.gz IOKDKLJSPSPXPG-GJZGRUSLSA-N 2 0 300.368 3.670 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423212374 337704348 /nfs/dbraw/zinc/70/43/48/337704348.db2.gz IJAMLWVLNBUNRT-DOXZYTNZSA-N 2 0 312.457 3.887 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000423212430 337704380 /nfs/dbraw/zinc/70/43/80/337704380.db2.gz LVXONLKTKFJZJL-LESCRADOSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423225400 337705872 /nfs/dbraw/zinc/70/58/72/337705872.db2.gz MPIGGTMJXQUCFS-SMDDNHRTSA-N 2 0 319.449 3.654 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000423246454 337707042 /nfs/dbraw/zinc/70/70/42/337707042.db2.gz KBYQKXJHSPARKF-QGPMSJSTSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423256041 337707745 /nfs/dbraw/zinc/70/77/45/337707745.db2.gz DGFUTHZCHKHOPH-CABCVRRESA-N 2 0 315.486 3.850 20 0 DHADRP Clc1cccc2c1OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423260062 337707823 /nfs/dbraw/zinc/70/78/23/337707823.db2.gz PHOFJCAEQSJFMY-CZUORRHYSA-N 2 0 308.853 3.533 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OCC ZINC000423261182 337707875 /nfs/dbraw/zinc/70/78/75/337707875.db2.gz RPCCBUHQHVMHNJ-JKSUJKDBSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423258029 337707930 /nfs/dbraw/zinc/70/79/30/337707930.db2.gz LGVISDOBGWPSIH-SJORKVTESA-N 2 0 309.457 3.789 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423264396 337708145 /nfs/dbraw/zinc/70/81/45/337708145.db2.gz YOCXATJJLJYLAE-CHWSQXEVSA-N 2 0 316.367 3.626 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423264086 337708283 /nfs/dbraw/zinc/70/82/83/337708283.db2.gz YAADHRAENPDTIW-IUODEOHRSA-N 2 0 310.894 3.856 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423278384 337708949 /nfs/dbraw/zinc/70/89/49/337708949.db2.gz PSVSDPHRDLFHSP-WMZOPIPTSA-N 2 0 323.569 3.773 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OCC ZINC000423277372 337709065 /nfs/dbraw/zinc/70/90/65/337709065.db2.gz PLJRMEKBHZUJMQ-XIRDDKMYSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423276936 337709076 /nfs/dbraw/zinc/70/90/76/337709076.db2.gz NPSHJMADUSLRDL-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423284652 337709471 /nfs/dbraw/zinc/70/94/71/337709471.db2.gz YQNYFFBUIQFRLP-IAQYHMDHSA-N 2 0 300.368 3.602 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(OC)c1 ZINC000423293221 337710456 /nfs/dbraw/zinc/71/04/56/337710456.db2.gz QIGOZQKVPIIDND-KGLIPLIRSA-N 2 0 314.429 3.574 20 0 DHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)ccc1F ZINC000423293852 337710511 /nfs/dbraw/zinc/71/05/11/337710511.db2.gz SFYKVNYJOQTTIJ-QWHCGFSZSA-N 2 0 302.393 3.705 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccnn2-c2ccccc2)cc1 ZINC000423296177 337710862 /nfs/dbraw/zinc/71/08/62/337710862.db2.gz YOIRCXBIESNSMF-HZPDHXFCSA-N 2 0 320.440 3.743 20 0 DHADRP CCCCCOc1ccc([C@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423304849 337711281 /nfs/dbraw/zinc/71/12/81/337711281.db2.gz PFKSKKSWOSOXGL-LJQANCHMSA-N 2 0 302.462 3.516 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000423315087 337711708 /nfs/dbraw/zinc/71/17/08/337711708.db2.gz AJUFMVPWHYPMOZ-OAHLLOKOSA-N 2 0 311.267 3.545 20 0 DHADRP [NH3+]CCCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423319917 337711765 /nfs/dbraw/zinc/71/17/65/337711765.db2.gz FPNJVVBADZWGOB-GOSISDBHSA-N 2 0 304.384 3.577 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000423327993 337712130 /nfs/dbraw/zinc/71/21/30/337712130.db2.gz NNOZEOJIBXJBEN-HNNXBMFYSA-N 2 0 311.267 3.545 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423330027 337712238 /nfs/dbraw/zinc/71/22/38/337712238.db2.gz LPSWCZISHQDSDY-CQSZACIVSA-N 2 0 319.449 3.655 20 0 DHADRP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423330437 337712263 /nfs/dbraw/zinc/71/22/63/337712263.db2.gz NTBMNYNJELBDAK-RDJZCZTQSA-N 2 0 312.404 3.718 20 0 DHADRP Fc1ccc([C@H](CCCc2ccccc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423334549 337712599 /nfs/dbraw/zinc/71/25/99/337712599.db2.gz WRINOIHCYKUSKI-FQEVSTJZSA-N 2 0 312.432 3.699 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CC3(C)CC[NH2+]CC3)c(C)c2c1 ZINC000423337159 337712688 /nfs/dbraw/zinc/71/26/88/337712688.db2.gz TVMDQEZTWYBYRH-CQSZACIVSA-N 2 0 316.445 3.790 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCC[NH3+] ZINC000423337542 337712752 /nfs/dbraw/zinc/71/27/52/337712752.db2.gz RCGXRMRJMRJGNC-LLVKDONJSA-N 2 0 307.438 3.647 20 0 DHADRP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423347565 337713307 /nfs/dbraw/zinc/71/33/07/337713307.db2.gz QPRIQBCYNQLNOH-LLVKDONJSA-N 2 0 317.285 3.942 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423371493 337715323 /nfs/dbraw/zinc/71/53/23/337715323.db2.gz GINCZOWRGRANOC-ZOBORPQBSA-N 2 0 303.475 3.648 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423396784 337715380 /nfs/dbraw/zinc/71/53/80/337715380.db2.gz SOJOXEBZEYBDMG-CYBMUJFWSA-N 2 0 316.395 3.679 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423400756 337715595 /nfs/dbraw/zinc/71/55/95/337715595.db2.gz QHYCTKHNUBIZSH-DFBGVHRSSA-N 2 0 310.894 3.855 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C12CCCCC2 ZINC000423405700 337716031 /nfs/dbraw/zinc/71/60/31/337716031.db2.gz YIFNAVSYEUONAT-RTBURBONSA-N 2 0 314.473 3.507 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cnc2ccsc2c1 ZINC000423374312 337717183 /nfs/dbraw/zinc/71/71/83/337717183.db2.gz IGZMMIWYYIIHGC-GFCCVEGCSA-N 2 0 309.438 3.750 20 0 DHADRP CCC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000423444275 337719532 /nfs/dbraw/zinc/71/95/32/337719532.db2.gz QZINSLMDSJUVPC-IPMKNSEASA-N 2 0 302.462 3.514 20 0 DHADRP c1csc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCCC2)c1 ZINC000423444362 337719534 /nfs/dbraw/zinc/71/95/34/337719534.db2.gz RBNOVVFKBHCLPF-JZXOWHBKSA-N 2 0 304.503 3.957 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cs2)cs1 ZINC000423454237 337720266 /nfs/dbraw/zinc/72/02/66/337720266.db2.gz LKQCZZCBBJBDEW-GHMZBOCLSA-N 2 0 309.504 3.958 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423456424 337720383 /nfs/dbraw/zinc/72/03/83/337720383.db2.gz NOQNXGZMVXDZHD-QWHCGFSZSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423464420 337720772 /nfs/dbraw/zinc/72/07/72/337720772.db2.gz WANJNTWKZKZZFL-ZJUUUORDSA-N 2 0 306.784 3.719 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)C1CCC(C(F)(F)F)CC1 ZINC000423472977 337721300 /nfs/dbraw/zinc/72/13/00/337721300.db2.gz NNDXZLGCNBECRB-DXGYCSDQSA-N 2 0 306.416 3.851 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423475041 337721556 /nfs/dbraw/zinc/72/15/56/337721556.db2.gz ZRFRUBROJIQWBE-SCRDCRAPSA-N 2 0 316.367 3.753 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[C@@H](C[NH3+])C3)c(C)c2c1 ZINC000423492922 337722678 /nfs/dbraw/zinc/72/26/78/337722678.db2.gz PAAPPVBGOKZFBJ-MJBXVCDLSA-N 2 0 302.418 3.528 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423491025 337722722 /nfs/dbraw/zinc/72/27/22/337722722.db2.gz YPXIFTGMBKVHCH-DZGCQCFKSA-N 2 0 314.395 3.758 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423494799 337722783 /nfs/dbraw/zinc/72/27/83/337722783.db2.gz BAKWNVFBMOMQSA-RDJZCZTQSA-N 2 0 315.486 3.899 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000423496707 337722929 /nfs/dbraw/zinc/72/29/29/337722929.db2.gz FKMVASILHVIABV-KBXCAEBGSA-N 2 0 316.420 3.965 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)oc21 ZINC000423481571 337725032 /nfs/dbraw/zinc/72/50/32/337725032.db2.gz XCKQGPTYZGYCRX-LZWOXQAQSA-N 2 0 316.445 4.000 20 0 DHADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423538556 337725151 /nfs/dbraw/zinc/72/51/51/337725151.db2.gz NBWHKONVHDCDOC-QZTJIDSGSA-N 2 0 304.865 3.876 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2ccncc2)cc1 ZINC000423542163 337725159 /nfs/dbraw/zinc/72/51/59/337725159.db2.gz LUUWEHQTABTMMI-PSMQTCRGSA-N 2 0 321.468 3.787 20 0 DHADRP Clc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000423549131 337725463 /nfs/dbraw/zinc/72/54/63/337725463.db2.gz RWIXFBKOOUWUOX-JOCBIADPSA-N 2 0 304.865 3.769 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c2ccccc12 ZINC000423557588 337725504 /nfs/dbraw/zinc/72/55/04/337725504.db2.gz NDYISXIUNOFWSY-HNNXBMFYSA-N 2 0 310.441 3.809 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424268471 337813684 /nfs/dbraw/zinc/81/36/84/337813684.db2.gz LHDRVWNOHLGSMV-HXUWFJFHSA-N 2 0 322.537 3.826 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424296823 337817024 /nfs/dbraw/zinc/81/70/24/337817024.db2.gz FZNKGDCUYHVIMW-XHHHBCLVSA-N 2 0 322.537 3.680 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C3(C)CC3)CC2)cc1 ZINC000120686219 337879363 /nfs/dbraw/zinc/87/93/63/337879363.db2.gz JRZLQCINWPNQMQ-MRXNPFEDSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1nccs1 ZINC000090775338 337885390 /nfs/dbraw/zinc/88/53/90/337885390.db2.gz USZVVYKFFAWHCD-FHERZECASA-N 2 0 307.507 3.837 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000092381328 337903253 /nfs/dbraw/zinc/90/32/53/337903253.db2.gz XEROGORBEOEBBO-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000515013572 337977713 /nfs/dbraw/zinc/97/77/13/337977713.db2.gz ITBDMDOGHNJXCW-JXFKEZNVSA-N 2 0 324.468 3.965 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1F ZINC000315099916 337980784 /nfs/dbraw/zinc/98/07/84/337980784.db2.gz NVXCYVZIDIVENF-LSDHHAIUSA-N 2 0 308.441 3.607 20 0 DHADRP CSC1(C[NH2+][C@@H](C)CCc2ccc(F)cc2)CC[NH+](C)CC1 ZINC000515493437 337990778 /nfs/dbraw/zinc/99/07/78/337990778.db2.gz YGHPTFBPQNPYDT-HNNXBMFYSA-N 2 0 324.509 3.564 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428846691 338062001 /nfs/dbraw/zinc/06/20/01/338062001.db2.gz DDMXLGFCPMRVQT-UHFFFAOYSA-N 2 0 320.424 3.979 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000429432273 338080796 /nfs/dbraw/zinc/08/07/96/338080796.db2.gz UKEAUMIYLKYJLW-QAPCUYQASA-N 2 0 302.462 3.610 20 0 DHADRP COC1(C[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000429528070 338083155 /nfs/dbraw/zinc/08/31/55/338083155.db2.gz NWCTZBARPZOJNQ-MSOLQXFVSA-N 2 0 318.505 3.834 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539947 338083387 /nfs/dbraw/zinc/08/33/87/338083387.db2.gz METQVIPCDOTZKX-DLBZAZTESA-N 2 0 306.519 3.973 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539948 338083406 /nfs/dbraw/zinc/08/34/06/338083406.db2.gz METQVIPCDOTZKX-IAGOWNOFSA-N 2 0 306.519 3.973 20 0 DHADRP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429708201 338087960 /nfs/dbraw/zinc/08/79/60/338087960.db2.gz LMKXZSBBRSRASL-UXHICEINSA-N 2 0 316.489 3.542 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cccc(C)c1C ZINC000430095275 338096121 /nfs/dbraw/zinc/09/61/21/338096121.db2.gz MOOJIIQULKIYLY-UHFFFAOYSA-N 2 0 320.440 3.825 20 0 DHADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000430143477 338098987 /nfs/dbraw/zinc/09/89/87/338098987.db2.gz AOCRSHWJMZVKNF-HXUWFJFHSA-N 2 0 314.473 3.536 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430900821 338118460 /nfs/dbraw/zinc/11/84/60/338118460.db2.gz PZBHQMRFVMSXKV-UHFFFAOYSA-N 2 0 312.379 3.589 20 0 DHADRP CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH3+])C3)s2)cc1 ZINC000430968650 338119685 /nfs/dbraw/zinc/11/96/85/338119685.db2.gz ZBODMIOELAWBBE-CQSZACIVSA-N 2 0 315.486 3.714 20 0 DHADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C)cc1 ZINC000432408041 338155154 /nfs/dbraw/zinc/15/51/54/338155154.db2.gz RLNFUUYHWHKABF-HKUYNNGSSA-N 2 0 304.478 3.537 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CCC2)cc1C ZINC000433074278 338180349 /nfs/dbraw/zinc/18/03/49/338180349.db2.gz HYJMTBULBVXVRM-MJGOQNOKSA-N 2 0 300.490 3.797 20 0 DHADRP C[C@@H](F)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433132432 338182617 /nfs/dbraw/zinc/18/26/17/338182617.db2.gz XIOCHPFEODLWBF-QGZVFWFLSA-N 2 0 304.453 3.723 20 0 DHADRP CCN(Cc1nc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435378326 338238274 /nfs/dbraw/zinc/23/82/74/338238274.db2.gz CYMNOEKKRKVONB-MRXNPFEDSA-N 2 0 315.486 3.774 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000435381868 338238362 /nfs/dbraw/zinc/23/83/62/338238362.db2.gz YJUIYQHVPLTWLE-YSIASYRMSA-N 2 0 322.452 3.531 20 0 DHADRP c1cc(C[NH+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426442 338239862 /nfs/dbraw/zinc/23/98/62/338239862.db2.gz ICYLQYCIJCCHQB-MRXNPFEDSA-N 2 0 318.511 3.954 20 0 DHADRP CC(C)OCCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691842 338245520 /nfs/dbraw/zinc/24/55/20/338245520.db2.gz FHVNFVLLUWEJIN-QGZVFWFLSA-N 2 0 322.518 3.507 20 0 DHADRP CCC1(C[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000435739255 338247148 /nfs/dbraw/zinc/24/71/48/338247148.db2.gz FSTXVFNWOIRNBH-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436272993 338264913 /nfs/dbraw/zinc/26/49/13/338264913.db2.gz IANUDVVNUNTDRL-UHFFFAOYSA-N 2 0 308.775 3.790 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436284993 338265898 /nfs/dbraw/zinc/26/58/98/338265898.db2.gz ZWSYOLJZMRQWJM-XUVXKRRUSA-N 2 0 300.490 3.719 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000436319217 338268855 /nfs/dbraw/zinc/26/88/55/338268855.db2.gz ZSNZWGLLJYCHOZ-MOIQIXESSA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436414114 338271690 /nfs/dbraw/zinc/27/16/90/338271690.db2.gz QIXVLRASMFDTAW-MOPGFXCFSA-N 2 0 300.490 3.719 20 0 DHADRP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000437106484 338301325 /nfs/dbraw/zinc/30/13/25/338301325.db2.gz MGTZZQWNFSGNIV-HXUWFJFHSA-N 2 0 322.537 3.704 20 0 DHADRP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000437106483 338301348 /nfs/dbraw/zinc/30/13/48/338301348.db2.gz MGTZZQWNFSGNIV-FQEVSTJZSA-N 2 0 322.537 3.704 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437583100 338314763 /nfs/dbraw/zinc/31/47/63/338314763.db2.gz RVGXNNXEYVBGPA-UHFFFAOYSA-N 2 0 317.452 3.861 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C1CCC([NH3+])CC1 ZINC000437787590 338321508 /nfs/dbraw/zinc/32/15/08/338321508.db2.gz REQULKNMJWTGND-UNXYVOJBSA-N 2 0 301.261 3.784 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000437793347 338321785 /nfs/dbraw/zinc/32/17/85/338321785.db2.gz AZSIZFXKPZRMST-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCCCOc1ccccc1 ZINC000438090601 338330842 /nfs/dbraw/zinc/33/08/42/338330842.db2.gz VLXHJMVVGPVZLR-GOSISDBHSA-N 2 0 304.478 3.700 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(O)c1 ZINC000442795605 338432035 /nfs/dbraw/zinc/43/20/35/338432035.db2.gz USVMRNXWFNPTFP-HHXXYDBFSA-N 2 0 304.478 3.943 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000447571104 338557852 /nfs/dbraw/zinc/55/78/52/338557852.db2.gz XGYJNWQFPGKHFI-NRFANRHFSA-N 2 0 312.501 3.780 20 0 DHADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc2ccccc21 ZINC000449012177 338582918 /nfs/dbraw/zinc/58/29/18/338582918.db2.gz ZFJAVRGRTRFMFM-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449130713 338595833 /nfs/dbraw/zinc/59/58/33/338595833.db2.gz HMBUASAWLFOHFN-AEFFLSMTSA-N 2 0 306.881 3.908 20 0 DHADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449159787 338597932 /nfs/dbraw/zinc/59/79/32/338597932.db2.gz ISXQWMQWYACCKO-MJGOQNOKSA-N 2 0 320.521 3.580 20 0 DHADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000449162144 338598294 /nfs/dbraw/zinc/59/82/94/338598294.db2.gz QWDZYIPAFLSUJJ-HBFSDRIKSA-N 2 0 322.537 3.682 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000449527635 338634637 /nfs/dbraw/zinc/63/46/37/338634637.db2.gz JWQNMLZOPRUGTE-UHFFFAOYSA-N 2 0 318.383 3.637 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000453117893 338795941 /nfs/dbraw/zinc/79/59/41/338795941.db2.gz JRNIFZIWASODFQ-WMZOPIPTSA-N 2 0 305.510 3.749 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453121025 338796303 /nfs/dbraw/zinc/79/63/03/338796303.db2.gz OFEBLHXPJGTCJK-QGZVFWFLSA-N 2 0 303.494 3.504 20 0 DHADRP CC(C)[NH+]1CCC(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000453380984 338835090 /nfs/dbraw/zinc/83/50/90/338835090.db2.gz QXMCDKVGTFPABA-UHFFFAOYSA-N 2 0 323.569 3.692 20 0 DHADRP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)O1 ZINC000453401787 338838701 /nfs/dbraw/zinc/83/87/01/338838701.db2.gz FCOSUHAOKIMOFA-NVXWUHKLSA-N 2 0 310.526 3.823 20 0 DHADRP Cn1cncc1CC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000459519076 339033731 /nfs/dbraw/zinc/03/37/31/339033731.db2.gz SDGBWMWICVMNFG-QGZVFWFLSA-N 2 0 303.837 3.843 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)ccc12 ZINC000459659649 339041064 /nfs/dbraw/zinc/04/10/64/339041064.db2.gz MSAGZUPTFJRKSK-AEFFLSMTSA-N 2 0 306.413 3.545 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000459660052 339041193 /nfs/dbraw/zinc/04/11/93/339041193.db2.gz NVKINMHABHMGBW-RBUKOAKNSA-N 2 0 309.388 3.899 20 0 DHADRP COc1ccc2cc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000459721745 339044221 /nfs/dbraw/zinc/04/42/21/339044221.db2.gz ASVWNTOLWSVMJA-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000459722494 339044304 /nfs/dbraw/zinc/04/43/04/339044304.db2.gz BMVBGWNHFCHYNK-KRWDZBQOSA-N 2 0 309.457 3.570 20 0 DHADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000459724941 339044424 /nfs/dbraw/zinc/04/44/24/339044424.db2.gz ATPOXQLJPHUNGC-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000459727055 339044490 /nfs/dbraw/zinc/04/44/90/339044490.db2.gz HCAWOVCHQBDKOH-HNNXBMFYSA-N 2 0 315.486 3.632 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000459730070 339044903 /nfs/dbraw/zinc/04/49/03/339044903.db2.gz JTPZEVJIAINGGT-CYBMUJFWSA-N 2 0 321.515 3.693 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000459735880 339045205 /nfs/dbraw/zinc/04/52/05/339045205.db2.gz PXLQCZGJGNCYBY-AWEZNQCLSA-N 2 0 317.864 3.710 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000462481483 339079700 /nfs/dbraw/zinc/07/97/00/339079700.db2.gz AMIPTVFEMMAGBM-SJLPKXTDSA-N 2 0 309.457 3.772 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000462690143 339084319 /nfs/dbraw/zinc/08/43/19/339084319.db2.gz WUWVKKWDRNABRZ-AEFFLSMTSA-N 2 0 304.478 3.685 20 0 DHADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4C[C@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463216660 339110059 /nfs/dbraw/zinc/11/00/59/339110059.db2.gz WDXCNDATJMOYOG-LNRXMEIDSA-N 2 0 318.464 3.606 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCC2CCOCC2)C1 ZINC000463281233 339113181 /nfs/dbraw/zinc/11/31/81/339113181.db2.gz PFXIQGSOXJWQIV-AZUAARDMSA-N 2 0 322.537 3.780 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000464771955 339152272 /nfs/dbraw/zinc/15/22/72/339152272.db2.gz DJEYAKABCXVUKW-KRWDZBQOSA-N 2 0 308.897 3.936 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000467354055 339233568 /nfs/dbraw/zinc/23/35/68/339233568.db2.gz FOBKCRGHIZXLKM-KRWDZBQOSA-N 2 0 320.452 3.533 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000467369899 339234759 /nfs/dbraw/zinc/23/47/59/339234759.db2.gz MVHODZOTSSREQC-FUHWJXTLSA-N 2 0 322.468 3.778 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000467389588 339236285 /nfs/dbraw/zinc/23/62/85/339236285.db2.gz LDISHDHCCXRHSN-RDTXWAMCSA-N 2 0 320.452 3.533 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2cnccn2)CC1)CC(C)C ZINC000467454230 339239545 /nfs/dbraw/zinc/23/95/45/339239545.db2.gz CXZCEHMDQYGMDR-KRWDZBQOSA-N 2 0 318.509 3.618 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000468027183 339251502 /nfs/dbraw/zinc/25/15/02/339251502.db2.gz RSPDXIFIOTVNQV-SUNYJGFJSA-N 2 0 300.446 3.602 20 0 DHADRP C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000468032925 339251795 /nfs/dbraw/zinc/25/17/95/339251795.db2.gz DNQSCASTUTZFOF-STQMWFEESA-N 2 0 318.383 3.619 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000468045071 339252496 /nfs/dbraw/zinc/25/24/96/339252496.db2.gz PNHJMBIHXXNIPA-KSSFIOAISA-N 2 0 300.446 3.604 20 0 DHADRP COC1CCN(C2(C[NH2+][C@H]3CCC[C@H]3C(C)C)CCCC2)CC1 ZINC000468556745 339266352 /nfs/dbraw/zinc/26/63/52/339266352.db2.gz UIIDFARDSDNAAH-OALUTQOASA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(C)C)cc2)[C@H](C)C1 ZINC000468839039 339272389 /nfs/dbraw/zinc/27/23/89/339272389.db2.gz DNHFPFOPBUJJHJ-YLJYHZDGSA-N 2 0 318.505 3.584 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCc2ccc(C)cc2)[C@@H](C)C1 ZINC000468931364 339275098 /nfs/dbraw/zinc/27/50/98/339275098.db2.gz KBWSIENCBDFMFX-FUHWJXTLSA-N 2 0 306.519 3.548 20 0 DHADRP COC(C)(C)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000469727597 339296960 /nfs/dbraw/zinc/29/69/60/339296960.db2.gz GFZWUKYIKFOPFZ-KRWDZBQOSA-N 2 0 310.526 3.778 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000469857108 339302872 /nfs/dbraw/zinc/30/28/72/339302872.db2.gz XVPVUHFSPRBDBH-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP C(CC1CCOCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000469901372 339304137 /nfs/dbraw/zinc/30/41/37/339304137.db2.gz YJPJNJAJLUQGAD-FQEVSTJZSA-N 2 0 322.537 3.781 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000469982146 339306814 /nfs/dbraw/zinc/30/68/14/339306814.db2.gz MUGYVWPJJVQQHC-VQTJNVASSA-N 2 0 300.490 3.769 20 0 DHADRP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+](CC(C)C)CC3)cc2c1C ZINC000472046590 339360538 /nfs/dbraw/zinc/36/05/38/339360538.db2.gz ARDNOIOSKDLGDX-UHFFFAOYSA-N 2 0 313.489 3.995 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000472265729 339368134 /nfs/dbraw/zinc/36/81/34/339368134.db2.gz YTHMALQCEQQUOH-HOTGVXAUSA-N 2 0 324.896 3.834 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CSc2ccccc2)C1 ZINC000472575625 339374295 /nfs/dbraw/zinc/37/42/95/339374295.db2.gz UZCPZJXLEGNBDM-ZWKOTPCHSA-N 2 0 318.530 3.975 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000474032322 339397838 /nfs/dbraw/zinc/39/78/38/339397838.db2.gz IPEYBKPKQPZSNK-LJQANCHMSA-N 2 0 316.489 3.880 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCC(F)(F)CC1 ZINC000474034003 339398039 /nfs/dbraw/zinc/39/80/39/339398039.db2.gz OYDVYMPWEXAYJI-CYBMUJFWSA-N 2 0 300.437 3.664 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)C1 ZINC000474056524 339399668 /nfs/dbraw/zinc/39/96/68/339399668.db2.gz NPHVAVVRBONIEV-NSISKUIASA-N 2 0 320.521 3.578 20 0 DHADRP C[NH+](C)C1(CNC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000480093322 339558967 /nfs/dbraw/zinc/55/89/67/339558967.db2.gz NQMBDMWLGXPFIN-UHFFFAOYSA-N 2 0 321.553 3.638 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)CC2 ZINC000480613949 339579663 /nfs/dbraw/zinc/57/96/63/339579663.db2.gz NJVHCCSYCRAAPG-FQEVSTJZSA-N 2 0 316.489 3.784 20 0 DHADRP CC[C@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956033 339648237 /nfs/dbraw/zinc/64/82/37/339648237.db2.gz ZLDNKEWWPDZNFT-LJQANCHMSA-N 2 0 304.478 3.577 20 0 DHADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000483520169 339667892 /nfs/dbraw/zinc/66/78/92/339667892.db2.gz SSZVNOICIMSYQO-RTBURBONSA-N 2 0 323.569 3.741 20 0 DHADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]C/C=C/c1ccncc1 ZINC000487554021 339757001 /nfs/dbraw/zinc/75/70/01/339757001.db2.gz QYADTRUVKMCEDV-BQYQJAHWSA-N 2 0 301.478 3.729 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC(OC(C)(C)C)C2)c1 ZINC000490190383 339828338 /nfs/dbraw/zinc/82/83/38/339828338.db2.gz IMJANVALCDIUHX-UHFFFAOYSA-N 2 0 318.505 3.964 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)CN1C1CC1 ZINC000499671786 340042557 /nfs/dbraw/zinc/04/25/57/340042557.db2.gz QMFJKFUKQSMWOS-YPMHNXCESA-N 2 0 313.272 3.751 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000501379153 340079484 /nfs/dbraw/zinc/07/94/84/340079484.db2.gz UYDKORMGRUGEJV-SFHVURJKSA-N 2 0 318.505 3.966 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000501386200 340079854 /nfs/dbraw/zinc/07/98/54/340079854.db2.gz KIUSLHPRMDPVAI-GOSISDBHSA-N 2 0 318.505 3.822 20 0 DHADRP Cc1ccccc1OCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501768686 340088043 /nfs/dbraw/zinc/08/80/43/340088043.db2.gz DRVWJXVQOTUQRK-UHFFFAOYSA-N 2 0 318.505 3.818 20 0 DHADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501770911 340088149 /nfs/dbraw/zinc/08/81/49/340088149.db2.gz QXONNGCSAKNPQM-MJGOQNOKSA-N 2 0 310.526 3.636 20 0 DHADRP CCc1cc(OC)ccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000502265445 340098125 /nfs/dbraw/zinc/09/81/25/340098125.db2.gz BETYTVNJMRQMHH-YJBOKZPZSA-N 2 0 304.478 3.562 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000502447244 340103825 /nfs/dbraw/zinc/10/38/25/340103825.db2.gz SLRZDDAQYYDJKC-YZGWKJHDSA-N 2 0 318.505 3.692 20 0 DHADRP COc1cccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506595764 340197316 /nfs/dbraw/zinc/19/73/16/340197316.db2.gz RCKMGOQSRPARKO-MJGOQNOKSA-N 2 0 316.489 3.782 20 0 DHADRP Cc1cccc(C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C2CC2)c1 ZINC000507443279 340219766 /nfs/dbraw/zinc/21/97/66/340219766.db2.gz MDHOJTDEKNPIKT-LJQANCHMSA-N 2 0 300.490 3.638 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000507470480 340221394 /nfs/dbraw/zinc/22/13/94/340221394.db2.gz MVOSFELVPIXZDZ-IRXDYDNUSA-N 2 0 303.494 3.807 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C(C)C)cc1 ZINC000507486476 340222273 /nfs/dbraw/zinc/22/22/73/340222273.db2.gz VSONDFANGDITDI-LJQANCHMSA-N 2 0 302.506 3.884 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000507514500 340223621 /nfs/dbraw/zinc/22/36/21/340223621.db2.gz SQZVHMLKOFHPFD-QGZVFWFLSA-N 2 0 303.494 3.951 20 0 DHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000507842690 340233904 /nfs/dbraw/zinc/23/39/04/340233904.db2.gz YLJLNKIJJHFVPD-GOSISDBHSA-N 2 0 319.493 3.634 20 0 DHADRP CC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(F)(F)F ZINC000402621401 340248777 /nfs/dbraw/zinc/24/87/77/340248777.db2.gz VPSNAGXRVHJPJF-ZDUSSCGKSA-N 2 0 315.383 3.619 20 0 DHADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000086585638 340253879 /nfs/dbraw/zinc/25/38/79/340253879.db2.gz WNVXIYNRPKALQF-CQSZACIVSA-N 2 0 310.869 3.560 20 0 DHADRP CCOC1CC(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)C1 ZINC000509035058 340259036 /nfs/dbraw/zinc/25/90/36/340259036.db2.gz VDBGWCSSESIDFY-UHFFFAOYSA-N 2 0 324.553 3.882 20 0 DHADRP CC[C@@H](C)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000509401933 340268366 /nfs/dbraw/zinc/26/83/66/340268366.db2.gz VAYZLNPZVQFYCX-QGZVFWFLSA-N 2 0 317.521 3.695 20 0 DHADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000510514180 340301492 /nfs/dbraw/zinc/30/14/92/340301492.db2.gz LEORHGWPHGEZOR-LJQANCHMSA-N 2 0 304.453 3.867 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000510735345 340308805 /nfs/dbraw/zinc/30/88/05/340308805.db2.gz NTROWCVGFXHOCQ-ILXRZTDVSA-N 2 0 308.416 3.502 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000511456050 340327602 /nfs/dbraw/zinc/32/76/02/340327602.db2.gz VRSFDKDGPARURA-PZBSJLNOSA-N 2 0 316.489 3.699 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000511456049 340327632 /nfs/dbraw/zinc/32/76/32/340327632.db2.gz VRSFDKDGPARURA-OHMJOTAUSA-N 2 0 316.489 3.699 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512082355 340347883 /nfs/dbraw/zinc/34/78/83/340347883.db2.gz IRJUCSKETZSWQF-IMMZDGJCSA-N 2 0 308.416 3.688 20 0 DHADRP COC[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000173983010 340379470 /nfs/dbraw/zinc/37/94/70/340379470.db2.gz NCHDZBZKZCZZRJ-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCC(F)(F)F)CC2)C1 ZINC000513030737 340389645 /nfs/dbraw/zinc/38/96/45/340389645.db2.gz VCXBZHKZYXNXGX-HIFRSBDPSA-N 2 0 306.416 3.962 20 0 DHADRP Cc1cccc(C)c1OCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513161684 340395510 /nfs/dbraw/zinc/39/55/10/340395510.db2.gz UOOSNWYQXHTCEK-DFNIBXOVSA-N 2 0 316.489 3.629 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513224866 340398043 /nfs/dbraw/zinc/39/80/43/340398043.db2.gz WOLBGBJITFLHNR-IEBWSBKVSA-N 2 0 324.553 3.950 20 0 DHADRP CC[NH+](CC)CCC[NH+]1CCC(COc2ccccc2)CC1 ZINC000513885197 340430858 /nfs/dbraw/zinc/43/08/58/340430858.db2.gz MGDCFTYFSLZJQS-UHFFFAOYSA-N 2 0 304.478 3.509 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000521144996 340480984 /nfs/dbraw/zinc/48/09/84/340480984.db2.gz JJNRSLKUQJJLQR-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP CC(C)[NH2+]C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000191301033 340552525 /nfs/dbraw/zinc/55/25/25/340552525.db2.gz CPPFHNZUSKVSCV-PMACEKPBSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH+](C)C ZINC000193970357 340586921 /nfs/dbraw/zinc/58/69/21/340586921.db2.gz YXSFYXVENRAUIT-CYBMUJFWSA-N 2 0 302.384 3.568 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000236934813 340666553 /nfs/dbraw/zinc/66/65/53/340666553.db2.gz ORZLKKAUPXZTMX-UHFFFAOYSA-N 2 0 308.469 3.785 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC(F)(F)C1 ZINC000529541756 340761461 /nfs/dbraw/zinc/76/14/61/340761461.db2.gz IPRGHBIBKSBDIN-AWEZNQCLSA-N 2 0 308.416 3.806 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000126199542 340824982 /nfs/dbraw/zinc/82/49/82/340824982.db2.gz BRUNFEOCGMQJMB-LBPRGKRZSA-N 2 0 316.367 3.578 20 0 DHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC000539314364 340880703 /nfs/dbraw/zinc/88/07/03/340880703.db2.gz UZVQVLVAEPOOPA-INIZCTEOSA-N 2 0 319.468 3.584 20 0 DHADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000540172270 340920414 /nfs/dbraw/zinc/92/04/14/340920414.db2.gz XPQUFGLSJMXIJM-FHWLQOOXSA-N 2 0 318.505 3.843 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000542318020 341004418 /nfs/dbraw/zinc/00/44/18/341004418.db2.gz MHTNPMKJIRTTRH-ACJLOTCBSA-N 2 0 322.412 3.582 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000542697432 341017687 /nfs/dbraw/zinc/01/76/87/341017687.db2.gz PCEWGLQGXISIES-WMZOPIPTSA-N 2 0 304.865 3.828 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000543081681 341031015 /nfs/dbraw/zinc/03/10/15/341031015.db2.gz ZPEFFGUOIHTLEE-MRXNPFEDSA-N 2 0 306.469 3.811 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000543426992 341044008 /nfs/dbraw/zinc/04/40/08/341044008.db2.gz PSOOUSXNYIAYKD-QRQLOZEOSA-N 2 0 318.530 3.772 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000543598589 341050229 /nfs/dbraw/zinc/05/02/29/341050229.db2.gz IBFJCLULWUBGCK-UHFFFAOYSA-N 2 0 324.468 3.704 20 0 DHADRP CC1(C)CC([NH2+]C/C=C/c2ccc(F)cc2F)CC(C)(C)[NH2+]1 ZINC000543649235 341053021 /nfs/dbraw/zinc/05/30/21/341053021.db2.gz SXFIJMIXYIXZEG-AATRIKPKSA-N 2 0 308.416 3.877 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC000130918772 341054034 /nfs/dbraw/zinc/05/40/34/341054034.db2.gz BCONQTKFMSYSBF-MJGOQNOKSA-N 2 0 308.510 3.604 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC[C@H]21 ZINC000544145957 341072171 /nfs/dbraw/zinc/07/21/71/341072171.db2.gz OSAJXNHVACZFTO-ZTFGCOKTSA-N 2 0 304.865 3.743 20 0 DHADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000544610996 341088867 /nfs/dbraw/zinc/08/88/67/341088867.db2.gz IMVNVEMVWGLPQN-RSPOEFSDSA-N 2 0 322.537 3.776 20 0 DHADRP Fc1ccc(F)c(C[N@H+](CCn2ccnc2)C2CCCC2)c1 ZINC000131661931 341106996 /nfs/dbraw/zinc/10/69/96/341106996.db2.gz PHWODUQASPZADF-UHFFFAOYSA-N 2 0 305.372 3.606 20 0 DHADRP CCc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000131706586 341109404 /nfs/dbraw/zinc/10/94/04/341109404.db2.gz BLHQXSWDXKIBQP-UHFFFAOYSA-N 2 0 318.486 3.905 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132103486 341116427 /nfs/dbraw/zinc/11/64/27/341116427.db2.gz HEWUHTJKLUMNPW-IIDMSEBBSA-N 2 0 304.453 3.566 20 0 DHADRP c1ccc(CN2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)cc1 ZINC000135955161 341248904 /nfs/dbraw/zinc/24/89/04/341248904.db2.gz QZLDWVPNMVIENB-OAQYLSRUSA-N 2 0 306.453 3.928 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(C)C)c2)[C@H](C)C1 ZINC000081095577 341279475 /nfs/dbraw/zinc/27/94/75/341279475.db2.gz IQMLRMNBXNEERQ-VQIMIIECSA-N 2 0 304.478 3.636 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245700139 341310600 /nfs/dbraw/zinc/31/06/00/341310600.db2.gz UPFQUKKYLQBDDG-AOIWGVFYSA-N 2 0 318.530 3.973 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245950730 341319535 /nfs/dbraw/zinc/31/95/35/341319535.db2.gz WKVHZFLMDANNAX-ZWJWXYIHSA-N 2 0 322.537 3.538 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000550823713 341323657 /nfs/dbraw/zinc/32/36/57/341323657.db2.gz VUWYZSRXAITMOF-HOJAQTOUSA-N 2 0 317.521 3.532 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000550855353 341324460 /nfs/dbraw/zinc/32/44/60/341324460.db2.gz DFAMVMATFCZVPJ-VNQPRFMTSA-N 2 0 314.395 3.652 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000550882144 341325385 /nfs/dbraw/zinc/32/53/85/341325385.db2.gz ILTVMKYEMHEPEZ-QGZVFWFLSA-N 2 0 304.478 3.920 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)C1 ZINC000246186655 341332197 /nfs/dbraw/zinc/33/21/97/341332197.db2.gz CRCUIWAESJTBRZ-PBHICJAKSA-N 2 0 322.880 3.794 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CSC2(C)C)CC1 ZINC000551310211 341338096 /nfs/dbraw/zinc/33/80/96/341338096.db2.gz WUMPAFWPOKBEIU-DAWZGUTISA-N 2 0 318.530 3.913 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCCC1 ZINC000246459919 341349695 /nfs/dbraw/zinc/34/96/95/341349695.db2.gz PTUWXBUQPGJGCW-XUVXKRRUSA-N 2 0 322.537 3.703 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCO2 ZINC000246852392 341357828 /nfs/dbraw/zinc/35/78/28/341357828.db2.gz CPWYBXDFBRGMNR-HZPDHXFCSA-N 2 0 318.461 3.721 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000247057913 341360465 /nfs/dbraw/zinc/36/04/65/341360465.db2.gz NRNZXJKSCYIPQD-CVEARBPZSA-N 2 0 312.457 3.841 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)NC[C@H]1CC[N@H+](CC)C1 ZINC000247070065 341360618 /nfs/dbraw/zinc/36/06/18/341360618.db2.gz OEULKKFENYPPSU-ZIAGYGMSSA-N 2 0 310.869 3.731 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000247302055 341363215 /nfs/dbraw/zinc/36/32/15/341363215.db2.gz IMFTWOHPGSRVNI-LNLFQRSKSA-N 2 0 310.526 3.682 20 0 DHADRP COc1cccc([C@@H](C[NH2+][C@H]2CC=C(C)CC2)N2CCCC2)c1 ZINC000552095734 341369403 /nfs/dbraw/zinc/36/94/03/341369403.db2.gz OHADKNOXAZQHRR-AZUAARDMSA-N 2 0 314.473 3.921 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000248405913 341376839 /nfs/dbraw/zinc/37/68/39/341376839.db2.gz BIYTWZJCKHZIET-VRXWPRPYSA-N 2 0 321.468 3.643 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCOC2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552246234 341381079 /nfs/dbraw/zinc/38/10/79/341381079.db2.gz NHUGLKGGQXJLMZ-UFYCRDLUSA-N 2 0 322.537 3.968 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000552252166 341381568 /nfs/dbraw/zinc/38/15/68/341381568.db2.gz DOJINKLQDVORLI-SQNIBIBYSA-N 2 0 304.453 3.566 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248660167 341383520 /nfs/dbraw/zinc/38/35/20/341383520.db2.gz ZIVJQYXHXIQWGD-CEXWTWQISA-N 2 0 318.505 3.515 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000248684342 341384184 /nfs/dbraw/zinc/38/41/84/341384184.db2.gz FWOVWDGNDNIDMD-UFYCRDLUSA-N 2 0 300.490 3.718 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000248723781 341385176 /nfs/dbraw/zinc/38/51/76/341385176.db2.gz GYKLXTKKLSPNPL-MNOVXSKESA-N 2 0 317.296 3.503 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000249384498 341396930 /nfs/dbraw/zinc/39/69/30/341396930.db2.gz XWGIBMOGXBUECZ-NEPJUHHUSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(O)c1 ZINC000249558162 341399256 /nfs/dbraw/zinc/39/92/56/341399256.db2.gz MHWYJWNFZHXCGE-BRWVUGGUSA-N 2 0 304.478 3.801 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCCC1 ZINC000090523471 341416556 /nfs/dbraw/zinc/41/65/56/341416556.db2.gz PTUWXBUQPGJGCW-UFYCRDLUSA-N 2 0 322.537 3.703 20 0 DHADRP Cc1ccc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)ccc2n1 ZINC000261934475 341509630 /nfs/dbraw/zinc/50/96/30/341509630.db2.gz TVTIRGWAZLTBHO-IBGZPJMESA-N 2 0 309.457 3.507 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000564816849 341510549 /nfs/dbraw/zinc/51/05/49/341510549.db2.gz NYVISCQFQGYVAY-GOSISDBHSA-N 2 0 314.473 3.754 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000566222443 341551170 /nfs/dbraw/zinc/55/11/70/341551170.db2.gz YCKSREIXEXJHDR-BHYGNILZSA-N 2 0 308.441 3.558 20 0 DHADRP CCC(CC)(CN[C@@H]1CCC[C@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000566481151 341559477 /nfs/dbraw/zinc/55/94/77/341559477.db2.gz FULFTFLUPSEVDX-YTQUADARSA-N 2 0 317.521 3.756 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000567662304 341625462 /nfs/dbraw/zinc/62/54/62/341625462.db2.gz BZQFEAMBOXHJHX-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP CN(c1ccccc1C[NH+]1CCCCCC1)C1CC[NH+](C)CC1 ZINC000157378943 341637101 /nfs/dbraw/zinc/63/71/01/341637101.db2.gz FONUZBGEOHHQEV-UHFFFAOYSA-N 2 0 315.505 3.593 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000577267749 341901150 /nfs/dbraw/zinc/90/11/50/341901150.db2.gz BQIIJVNVRZYJPY-IUODEOHRSA-N 2 0 304.821 3.817 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577513442 341914756 /nfs/dbraw/zinc/91/47/56/341914756.db2.gz NWHCGTTYZHJNLF-CZUORRHYSA-N 2 0 324.415 3.671 20 0 DHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CS1 ZINC000368462796 518981286 /nfs/dbraw/zinc/98/12/86/518981286.db2.gz QKNCOESFFAJHST-NVXWUHKLSA-N 2 0 310.551 3.903 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000365074368 519722452 /nfs/dbraw/zinc/72/24/52/519722452.db2.gz VYKBLOGTQSKZTO-IYWMVGAKSA-N 2 0 322.537 3.539 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1 ZINC000182105864 519733595 /nfs/dbraw/zinc/73/35/95/519733595.db2.gz AONJNDHJPYUTAE-INIZCTEOSA-N 2 0 319.493 3.805 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000337329229 519773316 /nfs/dbraw/zinc/77/33/16/519773316.db2.gz FRKFVPIJTIAABZ-KRWDZBQOSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000337340168 519773358 /nfs/dbraw/zinc/77/33/58/519773358.db2.gz PDSCZWPOIPJOMF-KRWDZBQOSA-N 2 0 304.478 3.576 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337325217 519847493 /nfs/dbraw/zinc/84/74/93/519847493.db2.gz BQSWSNCSABXPCD-QFBILLFUSA-N 2 0 301.478 3.572 20 0 DHADRP CCn1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](CC)CC)c2)cn1 ZINC000163540449 520755146 /nfs/dbraw/zinc/75/51/46/520755146.db2.gz DKTVZNSSPWOQAM-MRXNPFEDSA-N 2 0 314.477 3.596 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2CCCF)ccc1F ZINC000338000606 521888673 /nfs/dbraw/zinc/88/86/73/521888673.db2.gz YQRXPHYVENNYHX-MAUKXSAKSA-N 2 0 310.432 3.895 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000337340901 521906825 /nfs/dbraw/zinc/90/68/25/521906825.db2.gz PUBGZRVOEBSRCO-FPOVZHCZSA-N 2 0 323.484 3.959 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124186171 524908491 /nfs/dbraw/zinc/90/84/91/524908491.db2.gz IYQMUDGABDPQKQ-YQFWSFKMSA-N 2 0 302.462 3.607 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000364172118 524915946 /nfs/dbraw/zinc/91/59/46/524915946.db2.gz XDSKXXWEKPTINC-QINHECLXSA-N 2 0 309.457 3.567 20 0 DHADRP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)c2ccccc2)COC1)c1ccccc1 ZINC000182417487 525422132 /nfs/dbraw/zinc/42/21/32/525422132.db2.gz ZQXSMRUPZZBTSO-HDICACEKSA-N 2 0 324.468 3.705 20 0 DHADRP CS[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180164123 525808811 /nfs/dbraw/zinc/80/88/11/525808811.db2.gz SLILWPAHBWRURR-MIGBEJBISA-N 2 0 304.503 3.523 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325385 526046660 /nfs/dbraw/zinc/04/66/60/526046660.db2.gz SRYJGDFPHYYEIJ-OLZOCXBDSA-N 2 0 300.368 3.827 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000364180236 526212266 /nfs/dbraw/zinc/21/22/66/526212266.db2.gz XQAMGHZDZFVVKT-QUCCMNQESA-N 2 0 323.484 3.953 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000158897501 526246646 /nfs/dbraw/zinc/24/66/46/526246646.db2.gz PZFXJIHGKXHVHT-KRWDZBQOSA-N 2 0 301.478 3.558 20 0 DHADRP Fc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c2ncccc12 ZINC000339498037 526338087 /nfs/dbraw/zinc/33/80/87/526338087.db2.gz NJDYLSDWTCQLBR-UHFFFAOYSA-N 2 0 315.436 3.730 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000289211433 537022240 /nfs/dbraw/zinc/02/22/40/537022240.db2.gz KMNOYQAYBGYHMK-RHSMWYFYSA-N 2 0 320.452 3.532 20 0 DHADRP CC(C)Oc1cc[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165049716 721971945 /nfs/dbraw/zinc/97/19/45/721971945.db2.gz VTWUSSOMCCGQSO-QGZVFWFLSA-N 2 0 317.477 3.714 20 0 DHADRP c1ccc([C@@H]2C[C@H]([NH2+]C3CCSCC3)CCN2C2CC2)cc1 ZINC000638573608 1013171066 /nfs/dbraw/zinc/17/10/66/1013171066.db2.gz FWFFOPKCJYDHOG-MJGOQNOKSA-N 2 0 316.514 3.840 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000537525669 1032070607 /nfs/dbraw/zinc/07/06/07/1032070607.db2.gz WIVQZDHDOPVLCF-DZGCQCFKSA-N 2 0 314.477 3.623 20 0 DHADRP c1cnc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2c1 ZINC001167964020 1013197033 /nfs/dbraw/zinc/19/70/33/1013197033.db2.gz KTTWWBNZZYJLHC-IHWFROFDSA-N 2 0 321.468 3.730 20 0 DHADRP [NH3+]Cc1ccc2ccn(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)c2c1 ZINC001167963919 1013197572 /nfs/dbraw/zinc/19/75/72/1013197572.db2.gz IFSPIIIBBAOSGK-DFNIBXOVSA-N 2 0 309.457 3.678 20 0 DHADRP Cc1ccc2[nH]cc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)c2c1 ZINC001209498257 1013324723 /nfs/dbraw/zinc/32/47/23/1013324723.db2.gz DDJVYKYXLUPOBQ-UHFFFAOYSA-N 2 0 311.473 3.784 20 0 DHADRP Fc1ccc([C@H]2C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969474 1013375694 /nfs/dbraw/zinc/37/56/94/1013375694.db2.gz CMAQOQJCVZHFTN-DGDSNLKDSA-N 2 0 314.448 3.677 20 0 DHADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000262042983 1013411083 /nfs/dbraw/zinc/41/10/83/1013411083.db2.gz CBELVYHFOXLUKS-IPMKNSEASA-N 2 0 304.453 3.577 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000608062223 1013479848 /nfs/dbraw/zinc/47/98/48/1013479848.db2.gz IZBWCCCBKIJABZ-UXHICEINSA-N 2 0 316.489 3.685 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCS2 ZINC000427528949 1013549532 /nfs/dbraw/zinc/54/95/32/1013549532.db2.gz ULUOSSLDPYPUJJ-KRWDZBQOSA-N 2 0 302.487 3.692 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000579110375 1013638990 /nfs/dbraw/zinc/63/89/90/1013638990.db2.gz LUMGQHKUGHQKCK-QGZVFWFLSA-N 2 0 316.832 3.802 20 0 DHADRP CC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655689220 1013640620 /nfs/dbraw/zinc/64/06/20/1013640620.db2.gz YYHDCYPDELMLBX-QZTJIDSGSA-N 2 0 322.880 3.634 20 0 DHADRP CC[C@@H](OCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558806 1017110947 /nfs/dbraw/zinc/11/09/47/1017110947.db2.gz JOPDUASCNYTHBK-QZTJIDSGSA-N 2 0 304.478 3.617 20 0 DHADRP CCOc1ccccc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520205010 1013675050 /nfs/dbraw/zinc/67/50/50/1013675050.db2.gz OVLHZXXIRDNMDN-HDICACEKSA-N 2 0 318.505 3.933 20 0 DHADRP COc1ccc(C)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000520205774 1013675945 /nfs/dbraw/zinc/67/59/45/1013675945.db2.gz BURWODVFYWVLDS-ROUUACIJSA-N 2 0 318.505 3.851 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)ccc1OC ZINC000655806094 1013728230 /nfs/dbraw/zinc/72/82/30/1013728230.db2.gz PDJTZLKSMIKTCP-BJJXKVORSA-N 2 0 310.869 3.730 20 0 DHADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804847 1013723434 /nfs/dbraw/zinc/72/34/34/1013723434.db2.gz DDYVQJSGVGPLAP-KFWWJZLASA-N 2 0 300.446 3.986 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000655824577 1013744868 /nfs/dbraw/zinc/74/48/68/1013744868.db2.gz MOMZKFQLQCDUHW-JGZJWPJOSA-N 2 0 305.224 3.562 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cs2)cc1 ZINC000655827279 1013747226 /nfs/dbraw/zinc/74/72/26/1013747226.db2.gz PXMDBCWNFKQAID-KDYLLFBJSA-N 2 0 315.486 3.548 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@@H]1CCCCO1 ZINC000655849057 1013778354 /nfs/dbraw/zinc/77/83/54/1013778354.db2.gz MEEPDWODHKIFHE-FFGOWVMKSA-N 2 0 322.537 3.967 20 0 DHADRP COc1ccccc1/C=C\C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000571660967 1013798472 /nfs/dbraw/zinc/79/84/72/1013798472.db2.gz GBTMPGDABKCXOW-CLFYSBASSA-N 2 0 316.489 3.761 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397598449 1013801952 /nfs/dbraw/zinc/80/19/52/1013801952.db2.gz RPRKFZMMSBQPSQ-QGZVFWFLSA-N 2 0 312.457 3.712 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000340447332 1013805464 /nfs/dbraw/zinc/80/54/64/1013805464.db2.gz UCYZAWLBUHGSQJ-UONOGXRCSA-N 2 0 322.412 3.693 20 0 DHADRP Cc1cccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001167996130 1013812460 /nfs/dbraw/zinc/81/24/60/1013812460.db2.gz XBSBGXOKFBFPJJ-WCRBZPEASA-N 2 0 312.501 3.875 20 0 DHADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475283050 1017116241 /nfs/dbraw/zinc/11/62/41/1017116241.db2.gz SSRMNIQKGXYFKA-GOEBONIOSA-N 2 0 314.395 3.829 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccncc1F ZINC000340467436 1013832445 /nfs/dbraw/zinc/83/24/45/1013832445.db2.gz BGLJBPPEMNJAHE-OAHLLOKOSA-N 2 0 315.436 3.913 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000655941574 1013838234 /nfs/dbraw/zinc/83/82/34/1013838234.db2.gz XIWACMMORHRJQR-ROUUACIJSA-N 2 0 316.489 3.640 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000655941635 1013838359 /nfs/dbraw/zinc/83/83/59/1013838359.db2.gz YBTZQMNFBZQDTP-IEBWSBKVSA-N 2 0 316.489 3.783 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000683689969 1013857824 /nfs/dbraw/zinc/85/78/24/1013857824.db2.gz VPQADTGCHYKYJK-OWZKRDHZSA-N 2 0 324.468 3.916 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340477997 1013860357 /nfs/dbraw/zinc/86/03/57/1013860357.db2.gz PCIOIZLTEJBSDJ-OAHLLOKOSA-N 2 0 307.507 3.685 20 0 DHADRP CCc1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441444884 1013883845 /nfs/dbraw/zinc/88/38/45/1013883845.db2.gz FDTVRVQCCCTBEH-HXUWFJFHSA-N 2 0 300.490 3.599 20 0 DHADRP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169536 1013883973 /nfs/dbraw/zinc/88/39/73/1013883973.db2.gz HHLOFNLEMGWKEI-QWHCGFSZSA-N 2 0 311.267 3.571 20 0 DHADRP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441449779 1013889182 /nfs/dbraw/zinc/88/91/82/1013889182.db2.gz RCWQCYOBFYKIIN-IBGZPJMESA-N 2 0 316.489 3.572 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000340538134 1013948715 /nfs/dbraw/zinc/94/87/15/1013948715.db2.gz TXMVMYWOMIAIFC-VQIMIIECSA-N 2 0 316.489 3.727 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683765477 1013966740 /nfs/dbraw/zinc/96/67/40/1013966740.db2.gz QBXTYDCTVXTQOH-UHFFFAOYSA-N 2 0 311.473 3.837 20 0 DHADRP c1cc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)ccc2cn1 ZINC000683825611 1014046332 /nfs/dbraw/zinc/04/63/32/1014046332.db2.gz NCFFUYSCLKUACO-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683831256 1014052856 /nfs/dbraw/zinc/05/28/56/1014052856.db2.gz PBGROIKFYBSRBE-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP C[C@@H]1C[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000361748392 1032079645 /nfs/dbraw/zinc/07/96/45/1032079645.db2.gz AWYVDZFFEQSTGP-HLLBOEOZSA-N 2 0 300.446 3.505 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000565597440 1014083490 /nfs/dbraw/zinc/08/34/90/1014083490.db2.gz KWZQNOZNDFVCAV-NEPJUHHUSA-N 2 0 308.372 3.657 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000656193176 1014101577 /nfs/dbraw/zinc/10/15/77/1014101577.db2.gz WULPGBZGMDTTEP-SFTDATJTSA-N 2 0 324.468 3.763 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000315353281 1014102767 /nfs/dbraw/zinc/10/27/67/1014102767.db2.gz HLPBKKNAIKRFFG-GOSISDBHSA-N 2 0 304.478 3.576 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000564825912 1014146725 /nfs/dbraw/zinc/14/67/25/1014146725.db2.gz QNHGRNSMRHLUDR-INIZCTEOSA-N 2 0 309.457 3.665 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000564827836 1014165664 /nfs/dbraw/zinc/16/56/64/1014165664.db2.gz RUYQWFAMTIPWEG-QXAKKESOSA-N 2 0 304.453 3.543 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)CCCO2 ZINC000361755414 1032085197 /nfs/dbraw/zinc/08/51/97/1032085197.db2.gz QLKMJRMQSSAJGD-SOLBZPMBSA-N 2 0 302.462 3.589 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000580551297 1014215708 /nfs/dbraw/zinc/21/57/08/1014215708.db2.gz IVLQZKRXMOFWHJ-FQEVSTJZSA-N 2 0 324.468 3.745 20 0 DHADRP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580602504 1014245864 /nfs/dbraw/zinc/24/58/64/1014245864.db2.gz IVMMTPWELWBTLW-KRWDZBQOSA-N 2 0 312.457 3.905 20 0 DHADRP CC[C@H](C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000580678418 1014283732 /nfs/dbraw/zinc/28/37/32/1014283732.db2.gz WWJCWLOEPYHLIB-YLJYHZDGSA-N 2 0 300.490 3.844 20 0 DHADRP CC[C@H](C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000580678417 1014284458 /nfs/dbraw/zinc/28/44/58/1014284458.db2.gz WWJCWLOEPYHLIB-XLIONFOSSA-N 2 0 300.490 3.844 20 0 DHADRP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624313738 1014299236 /nfs/dbraw/zinc/29/92/36/1014299236.db2.gz SPWGZNQBUSYIEK-WOVMCDHWSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]1CC([NH2+]C2(C)CCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006682 1014423766 /nfs/dbraw/zinc/42/37/66/1014423766.db2.gz OBTHOCIHYZAGJV-IRXDYDNUSA-N 2 0 316.489 3.587 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000262021500 1014435454 /nfs/dbraw/zinc/43/54/54/1014435454.db2.gz XOVUUIDICKFMTR-ZDUSSCGKSA-N 2 0 319.836 3.556 20 0 DHADRP C[C@@H]1CC([NH2+]CCc2ccncc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007943 1014443073 /nfs/dbraw/zinc/44/30/73/1014443073.db2.gz VQSBQCYKHNPDLY-QZTJIDSGSA-N 2 0 323.484 3.655 20 0 DHADRP CCSCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008105 1014444769 /nfs/dbraw/zinc/44/47/69/1014444769.db2.gz CJIBGQPVIBWMDN-ALXJQNPVSA-N 2 0 306.519 3.771 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926128681 1014449611 /nfs/dbraw/zinc/44/96/11/1014449611.db2.gz UHTOOZROPIVFKL-KGLIPLIRSA-N 2 0 301.409 3.694 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(-c2ccco2)cc1F)C1CC[NH+](C)CC1 ZINC000684113554 1014454187 /nfs/dbraw/zinc/45/41/87/1014454187.db2.gz GMASZXPSCPJUSD-AWEZNQCLSA-N 2 0 316.420 3.906 20 0 DHADRP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2)[NH+]2CCCC2)cc1 ZINC000066243872 1014464706 /nfs/dbraw/zinc/46/47/06/1014464706.db2.gz KYTYSYFMSYAUOO-IBGZPJMESA-N 2 0 322.456 3.559 20 0 DHADRP C[C@H]([NH2+][C@@H](c1nccs1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000123359750 1014485257 /nfs/dbraw/zinc/48/52/57/1014485257.db2.gz SYMIGOFRGBICLM-WMLDXEAASA-N 2 0 315.486 3.552 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(N)c2)CC1 ZINC000665232415 1014504019 /nfs/dbraw/zinc/50/40/19/1014504019.db2.gz MKJFBISMGLKCSM-UHFFFAOYSA-N 2 0 323.484 3.802 20 0 DHADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665235741 1014508143 /nfs/dbraw/zinc/50/81/43/1014508143.db2.gz ZEJFJATUAIXEGC-KGLIPLIRSA-N 2 0 315.436 3.578 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(C2CCCCC2)cc1 ZINC000665236118 1014508212 /nfs/dbraw/zinc/50/82/12/1014508212.db2.gz HWLUROJEWFUEKK-HXUWFJFHSA-N 2 0 318.505 3.620 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000665247570 1014538296 /nfs/dbraw/zinc/53/82/96/1014538296.db2.gz FNVSHAHYUBLNBG-DOTOQJQBSA-N 2 0 320.452 3.722 20 0 DHADRP C[C@@H]1CC([NH2+]C[C@H]2CC(C)(C)O2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012535 1014609406 /nfs/dbraw/zinc/60/94/06/1014609406.db2.gz BUVSLGNWULBOMJ-GPMSIDNRSA-N 2 0 316.489 3.585 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CCCO2 ZINC000521045600 1014635236 /nfs/dbraw/zinc/63/52/36/1014635236.db2.gz XZHJMANIHLMETG-IBGZPJMESA-N 2 0 310.441 3.766 20 0 DHADRP C[N@H+](Cc1cc2ccccc2o1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000521054399 1014635979 /nfs/dbraw/zinc/63/59/79/1014635979.db2.gz AEJGTWMLARAIGK-UHFFFAOYSA-N 2 0 306.409 3.711 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)c2ccccc21 ZINC000665276164 1014639785 /nfs/dbraw/zinc/63/97/85/1014639785.db2.gz ZLDYOFFPEDRVQQ-RDJZCZTQSA-N 2 0 309.438 3.573 20 0 DHADRP CSC1(C[NH2+][C@H](C)CCc2ccccc2F)CC[NH+](C)CC1 ZINC000521122629 1014647043 /nfs/dbraw/zinc/64/70/43/1014647043.db2.gz XDKCTMVBDQTWMS-OAHLLOKOSA-N 2 0 324.509 3.564 20 0 DHADRP COc1ccc([C@H](CCC(C)C)NCC23CC(C2)C[NH2+]3)cc1 ZINC000665277692 1014654812 /nfs/dbraw/zinc/65/48/12/1014654812.db2.gz IWWGSNHWZAGPEQ-OBONGRFPSA-N 2 0 302.462 3.514 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000665277690 1014656410 /nfs/dbraw/zinc/65/64/10/1014656410.db2.gz IUSSODQCVRIUST-HFCFLWKCSA-N 2 0 312.482 3.682 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)ccc1Cl ZINC000665279379 1014662167 /nfs/dbraw/zinc/66/21/67/1014662167.db2.gz BHLMLGJIXMAKNQ-KSTDHSDQSA-N 2 0 322.880 3.538 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000665279321 1014662971 /nfs/dbraw/zinc/66/29/71/1014662971.db2.gz AEOKQMMINCXRDA-PWDHUQTKSA-N 2 0 324.390 3.683 20 0 DHADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000569338862 1014673420 /nfs/dbraw/zinc/67/34/20/1014673420.db2.gz UNGDNWIDXQWELC-MAUKXSAKSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442712983 1014719888 /nfs/dbraw/zinc/71/98/88/1014719888.db2.gz HJWLXIQVNPKSJG-PJPHBNEVSA-N 2 0 302.453 3.768 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000665300496 1014781339 /nfs/dbraw/zinc/78/13/39/1014781339.db2.gz CWCDVUYLBDIEOU-OCCSQVGLSA-N 2 0 302.384 3.513 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2ccccc2n1 ZINC000390303912 1014862034 /nfs/dbraw/zinc/86/20/34/1014862034.db2.gz DLHWJVSJRKSESG-LPHOPBHVSA-N 2 0 309.457 3.507 20 0 DHADRP Clc1ccsc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683962 1014928353 /nfs/dbraw/zinc/92/83/53/1014928353.db2.gz PIROZWUHXBGZQJ-UHFFFAOYSA-N 2 0 307.850 3.509 20 0 DHADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1CCC(F)(F)CC1 ZINC000474062002 1014943479 /nfs/dbraw/zinc/94/34/79/1014943479.db2.gz DFBYOYKTLGLLDA-AWEZNQCLSA-N 2 0 302.453 3.912 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000389033616 1015011156 /nfs/dbraw/zinc/01/11/56/1015011156.db2.gz PDRFTPPHCOQXCI-INIZCTEOSA-N 2 0 304.478 3.856 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000443606614 1015028581 /nfs/dbraw/zinc/02/85/81/1015028581.db2.gz SWJLTUSUIWQJTF-KSSFIOAISA-N 2 0 306.881 3.991 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000684367088 1015156920 /nfs/dbraw/zinc/15/69/20/1015156920.db2.gz HKDRVTCICXVXPQ-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP [NH3+]C1(C[NH2+]CCCc2c(Cl)cccc2Cl)CCCC1 ZINC000656789684 1015163029 /nfs/dbraw/zinc/16/30/29/1015163029.db2.gz VHILFDFUTNYQIE-UHFFFAOYSA-N 2 0 301.261 3.787 20 0 DHADRP [NH3+]C1(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CCCC1 ZINC000656789140 1015163162 /nfs/dbraw/zinc/16/31/62/1015163162.db2.gz KPGNDVIWAWJLNG-UHFFFAOYSA-N 2 0 314.395 3.889 20 0 DHADRP CCOCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000581848035 1015374101 /nfs/dbraw/zinc/37/41/01/1015374101.db2.gz JNLYXPLDPAPRGF-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000090408253 1015462168 /nfs/dbraw/zinc/46/21/68/1015462168.db2.gz CXFDDKJSAXFWTP-ZDUSSCGKSA-N 2 0 303.475 3.754 20 0 DHADRP C[C@@H]1CC([NH2+][C@@]2(C)CCCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039207 1015494181 /nfs/dbraw/zinc/49/41/81/1015494181.db2.gz CHDCZDQSUBUTOQ-HLIPFELVSA-N 2 0 316.489 3.587 20 0 DHADRP COCCCC1(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CCC1 ZINC000891746170 1015584285 /nfs/dbraw/zinc/58/42/85/1015584285.db2.gz QTMPCMNKBGLSAY-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000341614141 1015594609 /nfs/dbraw/zinc/59/46/09/1015594609.db2.gz AXDRCYYSCLFMNC-NVXWUHKLSA-N 2 0 320.477 3.619 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001168303958 1032127254 /nfs/dbraw/zinc/12/72/54/1032127254.db2.gz HLTPSFDYRQGWTA-LXPRWKDFSA-N 2 0 306.881 3.660 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281101563 1015830335 /nfs/dbraw/zinc/83/03/35/1015830335.db2.gz BJTQBFQOAVVVJD-LJQANCHMSA-N 2 0 313.420 3.523 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000277077918 1015864575 /nfs/dbraw/zinc/86/45/75/1015864575.db2.gz FCNMRDIZYZAZGL-UHFFFAOYSA-N 2 0 307.388 3.636 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000151118636 1016021386 /nfs/dbraw/zinc/02/13/86/1016021386.db2.gz RJVBXGMDBRMYIT-SJLPKXTDSA-N 2 0 302.462 3.530 20 0 DHADRP CO[C@@H](CC(C)C)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505782 1016175928 /nfs/dbraw/zinc/17/59/28/1016175928.db2.gz VQIKOSUIMYKRDN-UXHICEINSA-N 2 0 318.505 3.501 20 0 DHADRP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1SC ZINC000103341031 1016197785 /nfs/dbraw/zinc/19/77/85/1016197785.db2.gz WTIGTSMMHOSXMO-UHFFFAOYSA-N 2 0 322.518 3.816 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CCN(c4ccccn4)CC3)[nH]c2c1 ZINC000657311101 1016283699 /nfs/dbraw/zinc/28/36/99/1016283699.db2.gz WZKYPDQBYFQRTM-UHFFFAOYSA-N 2 0 320.440 3.630 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657311830 1016294629 /nfs/dbraw/zinc/29/46/29/1016294629.db2.gz WMNCIGDSRBDDBF-CYBMUJFWSA-N 2 0 314.395 3.706 20 0 DHADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)CC1 ZINC000892162311 1016324341 /nfs/dbraw/zinc/32/43/41/1016324341.db2.gz XJXCDFAQIHLQDN-KRWDZBQOSA-N 2 0 313.445 3.697 20 0 DHADRP CCc1cccc2cc(CNC3CC[NH+](CC4CC4)CC3)oc21 ZINC000657319130 1016324708 /nfs/dbraw/zinc/32/47/08/1016324708.db2.gz SRHXNCPDAZPLEN-UHFFFAOYSA-N 2 0 312.457 3.959 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657348194 1016396209 /nfs/dbraw/zinc/39/62/09/1016396209.db2.gz NGZDWLZUSMEVNO-CQSZACIVSA-N 2 0 303.475 3.506 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000684766943 1016409737 /nfs/dbraw/zinc/40/97/37/1016409737.db2.gz RHMIBYSCXKVWHE-MXVIHJGJSA-N 2 0 324.468 3.663 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000657355161 1016418727 /nfs/dbraw/zinc/41/87/27/1016418727.db2.gz DGYVQJILBOTJGD-MRXNPFEDSA-N 2 0 315.486 3.550 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCCO1 ZINC000346563757 1016443085 /nfs/dbraw/zinc/44/30/85/1016443085.db2.gz PGJFVDMDTHEMCK-FXAWDEMLSA-N 2 0 316.489 3.720 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]Cc1cc2ccncc2s1)C(C)(C)C ZINC000657362877 1016461246 /nfs/dbraw/zinc/46/12/46/1016461246.db2.gz BLMQWGUHDWGMBT-MRXNPFEDSA-N 2 0 305.491 3.752 20 0 DHADRP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000892230312 1016529345 /nfs/dbraw/zinc/52/93/45/1016529345.db2.gz WZKGFMWGNGSXLI-XJKSGUPXSA-N 2 0 312.379 3.679 20 0 DHADRP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([C@@H]([NH3+])CO)c2)cc1 ZINC000629707422 1016583099 /nfs/dbraw/zinc/58/30/99/1016583099.db2.gz KVHAKERADAELHB-SFTDATJTSA-N 2 0 324.468 3.720 20 0 DHADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C[C@H]12 ZINC000346846665 1016591887 /nfs/dbraw/zinc/59/18/87/1016591887.db2.gz BQILXBNRXQYLQX-UKPHBRMFSA-N 2 0 316.445 3.723 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000281630834 1016639801 /nfs/dbraw/zinc/63/98/01/1016639801.db2.gz DCZFNQUKEDYGRA-GOSISDBHSA-N 2 0 310.457 3.615 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000347030634 1016700488 /nfs/dbraw/zinc/70/04/88/1016700488.db2.gz XMANGIKGMYWLSW-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000336711909 1016701808 /nfs/dbraw/zinc/70/18/08/1016701808.db2.gz LOYFVDOAABYQIT-KRWDZBQOSA-N 2 0 312.457 3.873 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347046504 1016714153 /nfs/dbraw/zinc/71/41/53/1016714153.db2.gz OJQJOFPOAHGOTJ-BEFAXECRSA-N 2 0 312.457 3.796 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(Br)c1 ZINC000051694252 1016779213 /nfs/dbraw/zinc/77/92/13/1016779213.db2.gz UZBDMAYIXNOTSX-YMAMQOFZSA-N 2 0 311.267 3.760 20 0 DHADRP C[NH+](C)C1CCC(n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001168305871 1032150311 /nfs/dbraw/zinc/15/03/11/1032150311.db2.gz OTSVBQINFLCQBU-UHFFFAOYSA-N 2 0 319.880 3.841 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cc(OC)ccc3c2)[C@H](C)C1 ZINC000174628950 1016830720 /nfs/dbraw/zinc/83/07/20/1016830720.db2.gz KJCYINDZPPKMQH-FOIQADDNSA-N 2 0 312.457 3.668 20 0 DHADRP Clc1ccc(CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000671300573 1016895553 /nfs/dbraw/zinc/89/55/53/1016895553.db2.gz DJHNMPDEZUYGJD-UONOGXRCSA-N 2 0 312.910 3.941 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CCC2 ZINC000657466157 1016926953 /nfs/dbraw/zinc/92/69/53/1016926953.db2.gz CTQGJMJLYBQMHB-FQEVSTJZSA-N 2 0 318.424 3.743 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000475072604 1016935040 /nfs/dbraw/zinc/93/50/40/1016935040.db2.gz YGGMWJRMXXPCBE-GGPKGHCWSA-N 2 0 322.537 3.514 20 0 DHADRP c1c2ccncc2sc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657475045 1016962314 /nfs/dbraw/zinc/96/23/14/1016962314.db2.gz YNJVFPMDGGXLNA-UHFFFAOYSA-N 2 0 303.475 3.652 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623357497 1016987050 /nfs/dbraw/zinc/98/70/50/1016987050.db2.gz SECKBDCTPYJAJW-CABCVRRESA-N 2 0 320.477 3.536 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC1(C)C ZINC000623376258 1017001935 /nfs/dbraw/zinc/00/19/35/1017001935.db2.gz MBHVSHRYLALUDK-QYZOEREBSA-N 2 0 316.489 3.617 20 0 DHADRP CC(C)COc1cccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623374842 1017006567 /nfs/dbraw/zinc/00/65/67/1017006567.db2.gz RHEGEMISXAUEIN-KRWDZBQOSA-N 2 0 304.478 3.684 20 0 DHADRP C[N@@H+]1CC[C@@H](NCc2ccccc2C(F)(F)F)CC1(C)C ZINC000623384863 1017008950 /nfs/dbraw/zinc/00/89/50/1017008950.db2.gz OFIDFIRKFRTXDO-CYBMUJFWSA-N 2 0 300.368 3.668 20 0 DHADRP Fc1cccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000380075412 1017017366 /nfs/dbraw/zinc/01/73/66/1017017366.db2.gz CWEXMVOZTWICJE-VQTJNVASSA-N 2 0 324.443 3.780 20 0 DHADRP CCCN(CCC[NH+](C)C)Cc1c(C)onc1-c1ccccc1 ZINC001141992108 1017026708 /nfs/dbraw/zinc/02/67/08/1017026708.db2.gz BJWUMFVAMBKQGZ-UHFFFAOYSA-N 2 0 315.461 3.814 20 0 DHADRP CCc1cccc2c1OCC[C@@H]2N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404556 1017028510 /nfs/dbraw/zinc/02/85/10/1017028510.db2.gz ABVSMDFVPQJZHG-WBVHZDCISA-N 2 0 302.462 3.535 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623492049 1017069225 /nfs/dbraw/zinc/06/92/25/1017069225.db2.gz JMNPNUFFCMLZSS-INIZCTEOSA-N 2 0 316.489 3.579 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC1(C)C ZINC000623475620 1017064703 /nfs/dbraw/zinc/06/47/03/1017064703.db2.gz UZYBAJBRDZIVHD-SFHVURJKSA-N 2 0 316.489 3.588 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001168306340 1032155487 /nfs/dbraw/zinc/15/54/87/1032155487.db2.gz XDHWIOBNOFTZRV-JCYILVPMSA-N 2 0 307.869 3.649 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000361927279 1032157508 /nfs/dbraw/zinc/15/75/08/1032157508.db2.gz SLTRFNBYHSIVBF-WMZOPIPTSA-N 2 0 314.473 3.847 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000192952509 1017231339 /nfs/dbraw/zinc/23/13/39/1017231339.db2.gz XBZFQFKKTFUHRS-SFHVURJKSA-N 2 0 302.462 3.535 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC1 ZINC001168315705 1032222435 /nfs/dbraw/zinc/22/24/35/1032222435.db2.gz LABGBELGMUDMFM-UHFFFAOYSA-N 2 0 320.321 3.580 20 0 DHADRP CC(C)[NH+]1CC(Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C1 ZINC001168317666 1032235799 /nfs/dbraw/zinc/23/57/99/1032235799.db2.gz RDBSSGCTRYKIQQ-UHFFFAOYSA-N 2 0 321.468 3.707 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000623510903 1017078251 /nfs/dbraw/zinc/07/82/51/1017078251.db2.gz PYXSIWZAIDVKHA-JQHSSLGASA-N 2 0 304.453 3.924 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001168323075 1032264730 /nfs/dbraw/zinc/26/47/30/1032264730.db2.gz PGIWFVAHANWVNX-UHFFFAOYSA-N 2 0 304.453 3.878 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccccc2OC)C[C@H]1C ZINC000537616250 1032284896 /nfs/dbraw/zinc/28/48/96/1032284896.db2.gz KSHXWRQIKQDAED-MHLVSLHDSA-N 2 0 302.462 3.513 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168334870 1032344574 /nfs/dbraw/zinc/34/45/74/1032344574.db2.gz YWUPEXMZVSDCER-MXWWQKGMSA-N 2 0 306.881 3.908 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000120708991 1032394190 /nfs/dbraw/zinc/39/41/90/1032394190.db2.gz SLMSIRLKLPCYAN-ZDUSSCGKSA-N 2 0 312.404 3.813 20 0 DHADRP Cc1ncc([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000090418655 1032399159 /nfs/dbraw/zinc/39/91/59/1032399159.db2.gz VAUWVSJKTQIPFJ-ZDUSSCGKSA-N 2 0 307.507 3.899 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CCCn1ccnc1)C1CCCC1 ZINC000091261923 1032438961 /nfs/dbraw/zinc/43/89/61/1032438961.db2.gz TVZSLTHHEKEGIK-LJQANCHMSA-N 2 0 313.445 3.803 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636085 1032440977 /nfs/dbraw/zinc/44/09/77/1032440977.db2.gz KKLGXOILEVXAKU-QAPCUYQASA-N 2 0 316.489 3.705 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1(C)C ZINC000623502991 1017082423 /nfs/dbraw/zinc/08/24/23/1017082423.db2.gz GVXFRBOIMNQQNQ-QYZOEREBSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000684952955 1017083478 /nfs/dbraw/zinc/08/34/78/1017083478.db2.gz AVABDDMVRMXROD-AEFFLSMTSA-N 2 0 301.478 3.703 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000075007541 1017283720 /nfs/dbraw/zinc/28/37/20/1017283720.db2.gz UCGWSVIVKDRKDK-SFHVURJKSA-N 2 0 318.505 3.879 20 0 DHADRP CC[C@H](c1ccccc1)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007461 1017284947 /nfs/dbraw/zinc/28/49/47/1017284947.db2.gz HKRFALYCINOORT-HXUWFJFHSA-N 2 0 318.505 3.961 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Cl ZINC000177263760 1017099455 /nfs/dbraw/zinc/09/94/55/1017099455.db2.gz PCKHUEYODRUWPF-XHSDSOJGSA-N 2 0 324.896 3.880 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000122270158 1032524617 /nfs/dbraw/zinc/52/46/17/1032524617.db2.gz IEGQKUIDJWDMRO-IBGZPJMESA-N 2 0 316.489 3.955 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172837624 1033398897 /nfs/dbraw/zinc/39/88/97/1033398897.db2.gz OQZJJMCSQKOGJG-CYBMUJFWSA-N 2 0 312.860 3.873 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000122400692 1032541103 /nfs/dbraw/zinc/54/11/03/1032541103.db2.gz TWUWJVHCZAUMND-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(-c2ccncc2)c1 ZINC000093597700 1032547412 /nfs/dbraw/zinc/54/74/12/1032547412.db2.gz LAVJINPQJGPSTE-LJQANCHMSA-N 2 0 321.468 3.666 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(-c3ccncc3)c2)[C@H](C)C1 ZINC000093639233 1032550346 /nfs/dbraw/zinc/55/03/46/1032550346.db2.gz AHUHXRPESIOOJQ-DYESRHJHSA-N 2 0 323.484 3.911 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001172847297 1033416594 /nfs/dbraw/zinc/41/65/94/1033416594.db2.gz JZEKAVUXPOCTRG-MGPQQGTHSA-N 2 0 312.860 3.873 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCc3c(F)cccc3C2)cc1 ZINC001171400476 1032586905 /nfs/dbraw/zinc/58/69/05/1032586905.db2.gz FANQHIGYFKCGRP-GOSISDBHSA-N 2 0 312.432 3.534 20 0 DHADRP CC(C)n1cncc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000424155245 1011923853 /nfs/dbraw/zinc/92/38/53/1011923853.db2.gz MPYLNBSPYKBENV-UHFFFAOYSA-N 2 0 314.477 3.594 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C[C@H]2C1 ZINC000424256928 1011950397 /nfs/dbraw/zinc/95/03/97/1011950397.db2.gz ATRIVSMMHMZHDC-YDRVBMSGSA-N 2 0 322.537 3.538 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000579712830 1011956410 /nfs/dbraw/zinc/95/64/10/1011956410.db2.gz CUZYNWVWJBOODO-LBPRGKRZSA-N 2 0 306.356 3.598 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc(C3CCCC3)n1)CC[NH2+]CC2 ZINC000424301702 1011962283 /nfs/dbraw/zinc/96/22/83/1011962283.db2.gz YAPNWOOMDLGJGX-CQSZACIVSA-N 2 0 319.518 3.765 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC1(C)C ZINC000623542226 1017101800 /nfs/dbraw/zinc/10/18/00/1017101800.db2.gz SAQLDYKRLICACF-MRXNPFEDSA-N 2 0 306.881 3.878 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(-c3cccnc3)c1)CC[NH2+]CC2 ZINC000424379767 1012013357 /nfs/dbraw/zinc/01/33/57/1012013357.db2.gz PBCXIMFYEPFPGU-KRWDZBQOSA-N 2 0 321.468 3.713 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2Cl)C[C@H]1C ZINC000579780574 1012095059 /nfs/dbraw/zinc/09/50/59/1012095059.db2.gz HZHOKTDJRZJSOH-CJNGLKHVSA-N 2 0 312.860 3.826 20 0 DHADRP COCCC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1 ZINC000643547274 1012112647 /nfs/dbraw/zinc/11/26/47/1012112647.db2.gz BXSZKSIVKABNNN-MSOLQXFVSA-N 2 0 320.452 3.558 20 0 DHADRP c1ccc(CC(Cc2ccccc2)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953892 1032602196 /nfs/dbraw/zinc/60/21/96/1032602196.db2.gz KKLZIZFJBLNFGP-NRFANRHFSA-N 2 0 320.480 3.572 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000579797165 1012152307 /nfs/dbraw/zinc/15/23/07/1012152307.db2.gz ZZZOSTPECGUDKT-MNZLEMJZSA-N 2 0 304.478 3.572 20 0 DHADRP CO[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000513896985 1012217171 /nfs/dbraw/zinc/21/71/71/1012217171.db2.gz IPDYKKFSEZNOSI-SFHVURJKSA-N 2 0 324.896 3.691 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000514232983 1012304433 /nfs/dbraw/zinc/30/44/33/1012304433.db2.gz SZULTAGISXQRKG-VQIMIIECSA-N 2 0 304.478 3.810 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC[C@@H]3C2)cc1 ZINC001167958491 1012433562 /nfs/dbraw/zinc/43/35/62/1012433562.db2.gz FYMBYQUPZWXCBI-SSSFQFABSA-N 2 0 310.485 3.629 20 0 DHADRP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc2c1CCC2 ZINC001167958515 1012434053 /nfs/dbraw/zinc/43/40/53/1012434053.db2.gz GNYDIPAQBPMSMX-SEJPIABJSA-N 2 0 310.485 3.670 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000425332372 1012461522 /nfs/dbraw/zinc/46/15/22/1012461522.db2.gz BGOMUFORMDUSAX-QZTJIDSGSA-N 2 0 304.503 3.656 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171419852 1032630336 /nfs/dbraw/zinc/63/03/36/1032630336.db2.gz VOWYLLYLBWSDOV-WBVHZDCISA-N 2 0 304.453 3.524 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001172854682 1033423539 /nfs/dbraw/zinc/42/35/39/1033423539.db2.gz WVTHZMMZGJEFDS-CYBMUJFWSA-N 2 0 312.860 3.684 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638358737 1012817397 /nfs/dbraw/zinc/81/73/97/1012817397.db2.gz BKXKOIWVXAAEOR-VQTJNVASSA-N 2 0 321.553 3.519 20 0 DHADRP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1 ZINC000037140853 1012837124 /nfs/dbraw/zinc/83/71/24/1012837124.db2.gz BGAAHLAIZONIBS-GFCCVEGCSA-N 2 0 323.278 3.727 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000516917882 1012865360 /nfs/dbraw/zinc/86/53/60/1012865360.db2.gz SAVCTYQZEMOQIX-RTBURBONSA-N 2 0 316.489 3.554 20 0 DHADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1F ZINC001167962176 1012900466 /nfs/dbraw/zinc/90/04/66/1012900466.db2.gz VCSBSLKLRYMPSS-AYHJJNSGSA-N 2 0 302.437 3.629 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000517168227 1012922960 /nfs/dbraw/zinc/92/29/60/1012922960.db2.gz UVWYJXUKTHLQDI-YJBOKZPZSA-N 2 0 310.441 3.674 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425941591 1012980144 /nfs/dbraw/zinc/98/01/44/1012980144.db2.gz CBDNLEDEVQUAJF-KBPBESRZSA-N 2 0 317.502 3.967 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c2ccccc12 ZINC000425939859 1012981481 /nfs/dbraw/zinc/98/14/81/1012981481.db2.gz FALVZNGQNMMKBZ-GJZGRUSLSA-N 2 0 300.446 3.697 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@H](C)C[NH+](C)C)CC2)cc1 ZINC000425942862 1012987532 /nfs/dbraw/zinc/98/75/32/1012987532.db2.gz GZBVYMDELXYBEZ-HJOIGYKYSA-N 2 0 304.478 3.509 20 0 DHADRP CSCC[N@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060678 1017109543 /nfs/dbraw/zinc/10/95/43/1017109543.db2.gz XQSINWIQBGZYQK-ALXJQNPVSA-N 2 0 306.519 3.723 20 0 DHADRP CC1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCCCC1 ZINC000657534743 1017220851 /nfs/dbraw/zinc/22/08/51/1017220851.db2.gz CWMOWZKFBDYMAF-UHFFFAOYSA-N 2 0 322.537 3.828 20 0 DHADRP C[C@@H](Cc1ccco1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716649018 1032698970 /nfs/dbraw/zinc/69/89/70/1032698970.db2.gz HMOMHMDBSITWOK-LEAZDLGRSA-N 2 0 324.468 3.853 20 0 DHADRP CSC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716682124 1032701545 /nfs/dbraw/zinc/70/15/45/1032701545.db2.gz MZUOTNQQEAJWOQ-KSZLIROESA-N 2 0 318.530 3.771 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171449327 1032703646 /nfs/dbraw/zinc/70/36/46/1032703646.db2.gz PVYDIPZNYMQVKI-INIZCTEOSA-N 2 0 310.432 3.534 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CS1 ZINC000716674430 1032703754 /nfs/dbraw/zinc/70/37/54/1032703754.db2.gz XJGFNFKXGJFRNU-XXQMMXQMSA-N 2 0 316.514 3.523 20 0 DHADRP FC(F)(F)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623821872 1017522392 /nfs/dbraw/zinc/52/23/92/1017522392.db2.gz JZTGYYKJZLSPBH-JKSUJKDBSA-N 2 0 312.379 3.508 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623863872 1017541104 /nfs/dbraw/zinc/54/11/04/1017541104.db2.gz AUTOYQRLWGEDQB-LSDHHAIUSA-N 2 0 307.507 3.622 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCCO1 ZINC000623880905 1017553529 /nfs/dbraw/zinc/55/35/29/1017553529.db2.gz XUIUUFUERAVTID-MAUKXSAKSA-N 2 0 322.518 3.507 20 0 DHADRP C[N@@H+]1CC[C@H](Nc2ccc(CC[NH+]3CCCC3)cc2)CC1(C)C ZINC000623950873 1017593929 /nfs/dbraw/zinc/59/39/29/1017593929.db2.gz SERUPWWDYOXGQK-IBGZPJMESA-N 2 0 315.505 3.610 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623960485 1017606921 /nfs/dbraw/zinc/60/69/21/1017606921.db2.gz YWGKAAXAOKYYCW-ZQIUZPCESA-N 2 0 324.896 3.878 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000925158505 1017644068 /nfs/dbraw/zinc/64/40/68/1017644068.db2.gz UORNVCNJTSGIDS-KRWDZBQOSA-N 2 0 322.880 3.623 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@H](C)C1 ZINC000153427358 1017681025 /nfs/dbraw/zinc/68/10/25/1017681025.db2.gz XWKDVSZGRJHCJM-OXQOHEQNSA-N 2 0 309.457 3.569 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000624122672 1017696537 /nfs/dbraw/zinc/69/65/37/1017696537.db2.gz YGBROSRVOLXFMR-LZQZEXGQSA-N 2 0 304.453 3.783 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000624121727 1017697139 /nfs/dbraw/zinc/69/71/39/1017697139.db2.gz BZLXZIKUJLIQHB-NXVRBGIVSA-N 2 0 306.881 3.908 20 0 DHADRP Cc1cccc(C)c1OCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523438453 1017699351 /nfs/dbraw/zinc/69/93/51/1017699351.db2.gz BGVXUOJZNNMSRJ-LJQANCHMSA-N 2 0 316.489 3.633 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(OCC2CC2)c(F)c1 ZINC000181594526 1017771187 /nfs/dbraw/zinc/77/11/87/1017771187.db2.gz QDHHULJTBDEKDN-RHSMWYFYSA-N 2 0 320.452 3.749 20 0 DHADRP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC001204599205 1017910369 /nfs/dbraw/zinc/91/03/69/1017910369.db2.gz UCBQSKDXPIEJOW-CHWSQXEVSA-N 2 0 307.507 3.681 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182591076 1017931255 /nfs/dbraw/zinc/93/12/55/1017931255.db2.gz MJEVISKZRWGDFF-UHFFFAOYSA-N 2 0 318.505 3.647 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658030842 1017956514 /nfs/dbraw/zinc/95/65/14/1017956514.db2.gz VDCQYPNXYNIFAS-KOVLHOQQSA-N 2 0 312.501 3.711 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccn1 ZINC000658063976 1018011799 /nfs/dbraw/zinc/01/17/99/1018011799.db2.gz MCCRVYGSCLJCGO-SQGPQFPESA-N 2 0 315.505 3.818 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccn1 ZINC000658063973 1018012551 /nfs/dbraw/zinc/01/25/51/1018012551.db2.gz MCCRVYGSCLJCGO-HLIPFELVSA-N 2 0 315.505 3.818 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1C(F)(F)F ZINC000363791278 1018019703 /nfs/dbraw/zinc/01/97/03/1018019703.db2.gz JCYBCBZRDQZCQR-MJBXVCDLSA-N 2 0 312.379 3.983 20 0 DHADRP CC[C@H](C[C@@H](C)CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069690 1018027421 /nfs/dbraw/zinc/02/74/21/1018027421.db2.gz QLHBWBLKAIUWEQ-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cncs1 ZINC000123020726 1018038178 /nfs/dbraw/zinc/03/81/78/1018038178.db2.gz XOHWLXFLZDZWHD-AWEZNQCLSA-N 2 0 301.459 3.590 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1F ZINC000123623827 1018092629 /nfs/dbraw/zinc/09/26/29/1018092629.db2.gz KFRBDYJUWZSJMX-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP Clc1ccc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000524893169 1018119144 /nfs/dbraw/zinc/11/91/44/1018119144.db2.gz DQNBTEGSCKIMBB-QGZVFWFLSA-N 2 0 306.881 3.690 20 0 DHADRP CC1(C)[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(F)F ZINC000657736955 1018136719 /nfs/dbraw/zinc/13/67/19/1018136719.db2.gz AAOKNQBBBGKCLU-HNNXBMFYSA-N 2 0 300.437 3.664 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000841054952 1018151820 /nfs/dbraw/zinc/15/18/20/1018151820.db2.gz IFMXZPBZTOQWOR-VXGBXAGGSA-N 2 0 304.381 3.658 20 0 DHADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658162440 1018184177 /nfs/dbraw/zinc/18/41/77/1018184177.db2.gz DFFSLCVVCJFILW-VQTJNVASSA-N 2 0 315.505 3.852 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380910049 1018210474 /nfs/dbraw/zinc/21/04/74/1018210474.db2.gz KQSWAXHSGLRTTI-SFHVURJKSA-N 2 0 312.432 3.746 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]3(C)CC3(F)F)CC2)C1 ZINC000658217120 1018284418 /nfs/dbraw/zinc/28/44/18/1018284418.db2.gz DQTPZOXKDIRJIK-KBMXLJTQSA-N 2 0 300.437 3.664 20 0 DHADRP Cc1csc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000382281459 1018311751 /nfs/dbraw/zinc/31/17/51/1018311751.db2.gz OTPSVFWTLHMSAA-UHFFFAOYSA-N 2 0 300.471 3.811 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000125894632 1018333417 /nfs/dbraw/zinc/33/34/17/1018333417.db2.gz PFUPVAQHNSHDBL-FUHWJXTLSA-N 2 0 302.462 3.610 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000174352184 1018420895 /nfs/dbraw/zinc/42/08/95/1018420895.db2.gz AXCSUOZYZGOHAQ-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000526000028 1018436099 /nfs/dbraw/zinc/43/60/99/1018436099.db2.gz APHOEKWAEAOPDE-LJQANCHMSA-N 2 0 302.437 3.667 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000447811142 1018481099 /nfs/dbraw/zinc/48/10/99/1018481099.db2.gz CWPVSJIPJJKBTE-DLBZAZTESA-N 2 0 310.844 3.628 20 0 DHADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583491635 1018504699 /nfs/dbraw/zinc/50/46/99/1018504699.db2.gz JYBXRHJECKNIBC-IPMKNSEASA-N 2 0 300.490 3.923 20 0 DHADRP c1ccc([C@H](CC2CC2)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000635012945 1018511361 /nfs/dbraw/zinc/51/13/61/1018511361.db2.gz XNKLNGKDSYXIIJ-NRFANRHFSA-N 2 0 306.453 3.963 20 0 DHADRP [NH3+]CCCCCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000843342444 1018516039 /nfs/dbraw/zinc/51/60/39/1018516039.db2.gz QXNNBJLIROBJCV-OAHLLOKOSA-N 2 0 311.267 3.545 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583505248 1018515986 /nfs/dbraw/zinc/51/59/86/1018515986.db2.gz XXTFWBZFOHPVLR-HXUWFJFHSA-N 2 0 322.452 3.678 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706351 1018521499 /nfs/dbraw/zinc/52/14/99/1018521499.db2.gz JBMVMUJXNIKTDW-ZCNNSNEGSA-N 2 0 316.489 3.528 20 0 DHADRP CC[N@H+](CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710419 1018533674 /nfs/dbraw/zinc/53/36/74/1018533674.db2.gz OTXHIEDIUZIUNH-ZCNNSNEGSA-N 2 0 321.553 3.541 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(Cl)c1 ZINC000650717300 1018559689 /nfs/dbraw/zinc/55/96/89/1018559689.db2.gz WVHLTPHAHQRYEC-GFCCVEGCSA-N 2 0 306.812 3.831 20 0 DHADRP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650717744 1018560765 /nfs/dbraw/zinc/56/07/65/1018560765.db2.gz LDLMISORHFDSLP-UHFFFAOYSA-N 2 0 306.450 3.933 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]CCCc2c(F)cccc2Cl)c(F)c1 ZINC000650718164 1018566314 /nfs/dbraw/zinc/56/63/14/1018566314.db2.gz ZZNLIXBTGHEXPK-UHFFFAOYSA-N 2 0 324.802 3.799 20 0 DHADRP Cc1occc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771994 1018575433 /nfs/dbraw/zinc/57/54/33/1018575433.db2.gz IKRNYYLHUGQURU-HXUWFJFHSA-N 2 0 324.468 3.980 20 0 DHADRP CC1(C)CCC(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000650722779 1018577047 /nfs/dbraw/zinc/57/70/47/1018577047.db2.gz AXYIBYWCYJNPEX-KURKYZTESA-N 2 0 308.510 3.564 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000583580582 1018579146 /nfs/dbraw/zinc/57/91/46/1018579146.db2.gz ZOKOZPUPCKMBGF-FGTMMUONSA-N 2 0 316.514 3.774 20 0 DHADRP C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000675764082 1018582611 /nfs/dbraw/zinc/58/26/11/1018582611.db2.gz AZEMBILBMSAWFT-CYBMUJFWSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000675927094 1018627853 /nfs/dbraw/zinc/62/78/53/1018627853.db2.gz KWEFFGSNTZHFOU-OPYAIIAOSA-N 2 0 323.484 3.685 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000650745903 1018644704 /nfs/dbraw/zinc/64/47/04/1018644704.db2.gz QPCUGXNNQBMICK-IBGZPJMESA-N 2 0 321.424 3.636 20 0 DHADRP Fc1ccc(C2CC([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000278389073 1018647109 /nfs/dbraw/zinc/64/71/09/1018647109.db2.gz FSFGJNJPZBHIIH-UHFFFAOYSA-N 2 0 302.437 3.536 20 0 DHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Oc2ccccc2)cn1 ZINC000650747754 1018650556 /nfs/dbraw/zinc/65/05/56/1018650556.db2.gz GYDPIDJAIHNXHE-OAHLLOKOSA-N 2 0 311.429 3.654 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650752221 1018666697 /nfs/dbraw/zinc/66/66/97/1018666697.db2.gz MDQIIPDRDHVEDC-CQSZACIVSA-N 2 0 316.420 3.924 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000650756670 1018685645 /nfs/dbraw/zinc/68/56/45/1018685645.db2.gz HOUFKHPRBQCUNN-GOSISDBHSA-N 2 0 300.833 3.837 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000650757165 1018687975 /nfs/dbraw/zinc/68/79/75/1018687975.db2.gz QBIUXUKQIGEZJW-SFHVURJKSA-N 2 0 318.848 3.537 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000650757324 1018688006 /nfs/dbraw/zinc/68/80/06/1018688006.db2.gz UPNXRQOOGBQIMW-ZDUSSCGKSA-N 2 0 300.471 3.807 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000650758229 1018694099 /nfs/dbraw/zinc/69/40/99/1018694099.db2.gz LMHFUYKZHVSIHB-SFHVURJKSA-N 2 0 300.833 3.837 20 0 DHADRP Clc1ccc([C@H]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)C2)cc1 ZINC000650761542 1018706211 /nfs/dbraw/zinc/70/62/11/1018706211.db2.gz BYEKUPSFGOVNBS-WMZOPIPTSA-N 2 0 306.881 3.955 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762585 1018708444 /nfs/dbraw/zinc/70/84/44/1018708444.db2.gz FESPTPAUDCKDGU-WMZOPIPTSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000650763271 1018711218 /nfs/dbraw/zinc/71/12/18/1018711218.db2.gz WHDJRTLGUBUYCF-JTQLQIEISA-N 2 0 317.296 3.551 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000765238244 1018726321 /nfs/dbraw/zinc/72/63/21/1018726321.db2.gz NOPHRQYWORUMBV-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCSC(F)(F)F)CC2)C1 ZINC000765238085 1018726367 /nfs/dbraw/zinc/72/63/67/1018726367.db2.gz BVCHTTIINKQWPF-TZMCWYRMSA-N 2 0 324.456 3.872 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000314493091 1018731266 /nfs/dbraw/zinc/73/12/66/1018731266.db2.gz BLMCGYWLIMUEQF-HOCLYGCPSA-N 2 0 312.379 3.669 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])C2 ZINC001171561624 1032782616 /nfs/dbraw/zinc/78/26/16/1032782616.db2.gz ZXUGZGTZXFUTPX-CRAIPNDOSA-N 2 0 302.506 3.843 20 0 DHADRP Fc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000657813634 1018799477 /nfs/dbraw/zinc/79/94/77/1018799477.db2.gz VRERYUOMBBRUHP-UHFFFAOYSA-N 2 0 310.844 3.691 20 0 DHADRP Fc1ccc(/C=C/C[NH+]2CCC(n3ccnc3)CC2)c(F)c1 ZINC000349971995 1018830222 /nfs/dbraw/zinc/83/02/22/1018830222.db2.gz SIZWZEADZXYGQH-OWOJBTEDSA-N 2 0 303.356 3.512 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000584008123 1018836916 /nfs/dbraw/zinc/83/69/16/1018836916.db2.gz CWNNCDHKNHFLRM-BEFAXECRSA-N 2 0 320.908 3.983 20 0 DHADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278569002 1018846584 /nfs/dbraw/zinc/84/65/84/1018846584.db2.gz XGJILBXQBXZFEX-GOSISDBHSA-N 2 0 318.436 3.503 20 0 DHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278569006 1018847583 /nfs/dbraw/zinc/84/75/83/1018847583.db2.gz XGJILBXQBXZFEX-SFHVURJKSA-N 2 0 318.436 3.503 20 0 DHADRP CSCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000921790178 1018856871 /nfs/dbraw/zinc/85/68/71/1018856871.db2.gz DGPPHFALJVHRMT-AYHJJNSGSA-N 2 0 304.503 3.655 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc2ccncc2s1 ZINC000657824390 1018919568 /nfs/dbraw/zinc/91/95/68/1018919568.db2.gz QQNLRHTZCVQSSQ-CQSZACIVSA-N 2 0 303.475 3.823 20 0 DHADRP CC(C)CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000584080623 1018929361 /nfs/dbraw/zinc/92/93/61/1018929361.db2.gz KUTYOYQDHNVAHL-FXAWDEMLSA-N 2 0 318.505 3.884 20 0 DHADRP CC(C)C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171631313 1032796125 /nfs/dbraw/zinc/79/61/25/1032796125.db2.gz ZBHUINBAXVQJOS-QAQDUYKDSA-N 3 0 323.569 3.866 20 0 DHADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc2c1OCC2 ZINC000922985844 1018964361 /nfs/dbraw/zinc/96/43/61/1018964361.db2.gz LTMBPTYDQZBUSJ-RCBQFDQVSA-N 2 0 320.864 3.552 20 0 DHADRP c1nc(C2CC2)c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)s1 ZINC000785480824 1019003535 /nfs/dbraw/zinc/00/35/35/1019003535.db2.gz CURQFEZUSJNANC-UHFFFAOYSA-N 2 0 319.518 3.907 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168689701 1019008502 /nfs/dbraw/zinc/00/85/02/1019008502.db2.gz IRAOVAYSTKBKEK-GOEBONIOSA-N 2 0 308.897 3.907 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623384941 1019012298 /nfs/dbraw/zinc/01/22/98/1019012298.db2.gz SOEKFRKMOYIMRA-DOTOQJQBSA-N 2 0 304.478 3.999 20 0 DHADRP CCN1CCC([NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000159296668 1019037566 /nfs/dbraw/zinc/03/75/66/1019037566.db2.gz WUQUTGLTVOIIJW-SFHVURJKSA-N 2 0 302.462 3.591 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619548 1032804235 /nfs/dbraw/zinc/80/42/35/1032804235.db2.gz ORBZGYBOVAEXTQ-CALCHBBNSA-N 2 0 323.569 3.595 20 0 DHADRP COc1ccc(CCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619519 1032804510 /nfs/dbraw/zinc/80/45/10/1032804510.db2.gz NOVCEZRUGYAGMU-UHFFFAOYSA-N 2 0 318.505 3.869 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1sccc1Br ZINC000387266603 1019066718 /nfs/dbraw/zinc/06/67/18/1019066718.db2.gz CTGNYDXNQTWZCH-UHFFFAOYSA-N 2 0 319.312 3.721 20 0 DHADRP CC(C)C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccccn1 ZINC000635010102 1019137109 /nfs/dbraw/zinc/13/71/09/1019137109.db2.gz YHZZDIMCNBJJEV-QUCCMNQESA-N 2 0 311.473 3.719 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccccn1 ZINC000635010103 1019138175 /nfs/dbraw/zinc/13/81/75/1019138175.db2.gz YHZZDIMCNBJJEV-UYAOXDASSA-N 2 0 311.473 3.719 20 0 DHADRP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451137 1019210979 /nfs/dbraw/zinc/21/09/79/1019210979.db2.gz YTNLLUSIBXTQOQ-OXJNMPFZSA-N 2 0 324.468 3.731 20 0 DHADRP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c2ccccc2n1 ZINC000081635573 1019222572 /nfs/dbraw/zinc/22/25/72/1019222572.db2.gz ZYMZWPHOEKIKIK-GOSISDBHSA-N 2 0 323.484 3.707 20 0 DHADRP Cc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708538851 1019253701 /nfs/dbraw/zinc/25/37/01/1019253701.db2.gz IGEOKYILPHQRAA-RXVVDRJESA-N 2 0 308.469 3.853 20 0 DHADRP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000923524982 1019264099 /nfs/dbraw/zinc/26/40/99/1019264099.db2.gz BVSOGSCZILMPNR-FFHGMXDLSA-N 2 0 304.400 3.572 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C(F)(F)F)CC3)CC2)C1 ZINC000671768078 1019308966 /nfs/dbraw/zinc/30/89/66/1019308966.db2.gz NKQKYYONYHIZQM-DZGCQCFKSA-N 2 0 318.427 3.962 20 0 DHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+](C)C ZINC000657858230 1019316496 /nfs/dbraw/zinc/31/64/96/1019316496.db2.gz GTYFGVLVYPUPLK-INIZCTEOSA-N 2 0 316.411 3.958 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321328743 1019335495 /nfs/dbraw/zinc/33/54/95/1019335495.db2.gz STCRATKZLPMBMS-KMFMINBZSA-N 2 0 324.415 3.813 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321328751 1019336337 /nfs/dbraw/zinc/33/63/37/1019336337.db2.gz STCRATKZLPMBMS-UKPHBRMFSA-N 2 0 324.415 3.813 20 0 DHADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657859312 1019347795 /nfs/dbraw/zinc/34/77/95/1019347795.db2.gz SJVHFMRHZKKKGB-OALUTQOASA-N 2 0 318.530 3.774 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090586593 1019410050 /nfs/dbraw/zinc/41/00/50/1019410050.db2.gz SAEQOFGJRPDWLT-VQIMIIECSA-N 2 0 316.489 3.640 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)oc1C ZINC000282175046 1019545900 /nfs/dbraw/zinc/54/59/00/1019545900.db2.gz MLMRJJVPFAXXFK-HNNXBMFYSA-N 2 0 316.445 3.688 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)Oc1ccccc1 ZINC000513233978 1019569948 /nfs/dbraw/zinc/56/99/48/1019569948.db2.gz QJRFHMDTQHTNSS-UHFFFAOYSA-N 2 0 316.489 3.841 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC2(c3cccc(Cl)c3)CC2)CC1 ZINC000155377923 1019581309 /nfs/dbraw/zinc/58/13/09/1019581309.db2.gz QDJSDDWODREPHD-UHFFFAOYSA-N 2 0 306.881 3.836 20 0 DHADRP Clc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000057973642 1019601590 /nfs/dbraw/zinc/60/15/90/1019601590.db2.gz CGGRMVSRTMWUSR-UHFFFAOYSA-N 2 0 324.877 3.996 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704361 1019617775 /nfs/dbraw/zinc/61/77/75/1019617775.db2.gz FSFCZWNKUZJCQP-KRWDZBQOSA-N 2 0 320.908 3.765 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000164164824 1019633558 /nfs/dbraw/zinc/63/35/58/1019633558.db2.gz FXUGHBGRDWFOMP-CQSZACIVSA-N 2 0 308.897 3.938 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C(C)(C)C(F)F ZINC000657884189 1019745771 /nfs/dbraw/zinc/74/57/71/1019745771.db2.gz MNXUCVPWZWVADM-LLVKDONJSA-N 2 0 302.384 3.657 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115616500 1019751042 /nfs/dbraw/zinc/75/10/42/1019751042.db2.gz XDTBIUXBTLZGSZ-UHFFFAOYSA-N 2 0 320.383 3.656 20 0 DHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000115616502 1019752966 /nfs/dbraw/zinc/75/29/66/1019752966.db2.gz FTLVGVHTPRZHKV-UHFFFAOYSA-N 2 0 316.420 3.826 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000527518305 1019754365 /nfs/dbraw/zinc/75/43/65/1019754365.db2.gz GMJMAEOLFYBABT-DNDYEEKYSA-N 2 0 306.416 3.675 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926585414 1019774969 /nfs/dbraw/zinc/77/49/69/1019774969.db2.gz UYDKSLXOJDWIHT-QWHCGFSZSA-N 2 0 302.384 3.987 20 0 DHADRP COC1([C@H](C)[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)CCC1 ZINC000657889117 1019796569 /nfs/dbraw/zinc/79/65/69/1019796569.db2.gz QDQLJHDCAHJANY-SJORKVTESA-N 2 0 316.489 3.759 20 0 DHADRP CCC(CC)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166736207 1019815761 /nfs/dbraw/zinc/81/57/61/1019815761.db2.gz VKKKDNZNCIUUHS-RBUKOAKNSA-N 2 0 300.490 3.961 20 0 DHADRP Cc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685463084 1019841705 /nfs/dbraw/zinc/84/17/05/1019841705.db2.gz CFJOTOFVOFITSM-KRWDZBQOSA-N 2 0 306.881 3.812 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000685463154 1019843392 /nfs/dbraw/zinc/84/33/92/1019843392.db2.gz SYQUULXOUHYWHC-SFHVURJKSA-N 2 0 300.490 3.628 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCCC2)c1 ZINC000168396364 1019888143 /nfs/dbraw/zinc/88/81/43/1019888143.db2.gz VHLGIMGDKMVNBN-DLBZAZTESA-N 2 0 315.505 3.668 20 0 DHADRP C[C@@H](CC[NH2+][C@H]1CCCSCC1)[N@H+](C)Cc1ccccc1 ZINC000657900153 1019901148 /nfs/dbraw/zinc/90/11/48/1019901148.db2.gz MRXOZPVCPXCFFF-WMZOPIPTSA-N 2 0 306.519 3.772 20 0 DHADRP C[C@H](CC[NH2+][C@H](C)C1CC(F)(F)C1)[N@H+](C)Cc1ccccc1 ZINC000628226840 1019908987 /nfs/dbraw/zinc/90/89/87/1019908987.db2.gz GNOQFUCBIRBIEQ-HUUCEWRRSA-N 2 0 310.432 3.920 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cccc(C[NH+](C)C)c1 ZINC000926602110 1019937244 /nfs/dbraw/zinc/93/72/44/1019937244.db2.gz RWZIFDCBROGIMI-CRAIPNDOSA-N 2 0 318.530 3.932 20 0 DHADRP Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)o1 ZINC000685571450 1019956403 /nfs/dbraw/zinc/95/64/03/1019956403.db2.gz UEQJZHFKFBDNGA-LBPRGKRZSA-N 2 0 310.401 3.636 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168719276 1019957808 /nfs/dbraw/zinc/95/78/08/1019957808.db2.gz VYUBKOGWNMPIAQ-BCLQGDPASA-N 2 0 306.881 3.517 20 0 DHADRP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000685629452 1019988623 /nfs/dbraw/zinc/98/86/23/1019988623.db2.gz BNJCMTATBAGWTM-INIZCTEOSA-N 2 0 319.408 3.849 20 0 DHADRP c1nc2c([nH]1)C[C@H]([NH2+]C1CCC(C3CCCCC3)CC1)CC2 ZINC000685629789 1019988725 /nfs/dbraw/zinc/98/87/25/1019988725.db2.gz ZVMCFSRMFKKVPO-OFLPRAFFSA-N 2 0 301.478 3.996 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCSCC3)CC2)CC1 ZINC000657933127 1020008341 /nfs/dbraw/zinc/00/83/41/1020008341.db2.gz PWMMWELNLMEBSD-AOCRQIFASA-N 2 0 310.551 3.905 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000643508511 1032870029 /nfs/dbraw/zinc/87/00/29/1032870029.db2.gz WFSDBZVNNOJMBF-ZDUSSCGKSA-N 2 0 302.384 3.614 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1F ZINC001168602259 1020043629 /nfs/dbraw/zinc/04/36/29/1020043629.db2.gz HUIDUVUKLCZINC-WMZOPIPTSA-N 2 0 321.484 3.952 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000657826321 1020057240 /nfs/dbraw/zinc/05/72/40/1020057240.db2.gz HRXBXWUAPCMBLD-UHFFFAOYSA-N 2 0 310.432 3.706 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2ccncc2s1 ZINC000658027918 1020090129 /nfs/dbraw/zinc/09/01/29/1020090129.db2.gz AFUHPNUHYHSBQR-JZIBPQBNSA-N 2 0 301.459 3.572 20 0 DHADRP CCCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067678 1020127463 /nfs/dbraw/zinc/12/74/63/1020127463.db2.gz PBEDPWCWZUCSCP-AZUAARDMSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069692 1020129176 /nfs/dbraw/zinc/12/91/76/1020129176.db2.gz QLHBWBLKAIUWEQ-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658095283 1020141814 /nfs/dbraw/zinc/14/18/14/1020141814.db2.gz FZPMAYGGNDFRMM-RGIVZKHGSA-N 2 0 316.489 3.650 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000658095592 1020142231 /nfs/dbraw/zinc/14/22/31/1020142231.db2.gz JFZWNEPJHDHYMH-KZNAEPCWSA-N 2 0 315.505 3.879 20 0 DHADRP Cc1ccncc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658126241 1020175093 /nfs/dbraw/zinc/17/50/93/1020175093.db2.gz LMMYHOFQQTUFMQ-OXJNMPFZSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@@H](C[NH2+][C@H](CCN(C)C)c1cccnc1)c1ccc(F)cc1 ZINC000922627833 1020175871 /nfs/dbraw/zinc/17/58/71/1020175871.db2.gz NMAZZKXWWONOIR-HNAYVOBHSA-N 2 0 315.436 3.607 20 0 DHADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165433 1020199562 /nfs/dbraw/zinc/19/95/62/1020199562.db2.gz JPBNZMHOBVJION-WOJBJXKFSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCOC(C)(C)C)CC2)C1 ZINC000658187591 1020211465 /nfs/dbraw/zinc/21/14/65/1020211465.db2.gz XIHUJDATEJPJPK-AEFFLSMTSA-N 2 0 310.526 3.824 20 0 DHADRP Fc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001171784833 1032884298 /nfs/dbraw/zinc/88/42/98/1032884298.db2.gz ICHQWUVZQMEQCG-QGZVFWFLSA-N 2 0 316.464 3.680 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000765800608 1020221831 /nfs/dbraw/zinc/22/18/31/1020221831.db2.gz LCIDYTBUYLXDPP-GMNCBBECSA-N 2 0 322.537 3.965 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCC2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786833 1032885124 /nfs/dbraw/zinc/88/51/24/1032885124.db2.gz FATOWVAYNWDZFI-SZMVWBNQSA-N 2 0 316.464 3.807 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658283163 1020279048 /nfs/dbraw/zinc/27/90/48/1020279048.db2.gz KFNZFYDKVUZTDP-HYVNUMGLSA-N 2 0 322.443 3.778 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3C(C)(C)C3(F)F)CC2)C1 ZINC000658283926 1020282393 /nfs/dbraw/zinc/28/23/93/1020282393.db2.gz XHNBFWGNHLTSLW-BMFZPTHFSA-N 2 0 314.464 3.910 20 0 DHADRP CC(C)C[N@H+]([C@@H]1Cc2cccc(F)c2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171788572 1032888923 /nfs/dbraw/zinc/88/89/23/1032888923.db2.gz RRKRUGIFURRFBS-BRWVUGGUSA-N 2 0 304.453 3.521 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000922846531 1020305127 /nfs/dbraw/zinc/30/51/27/1020305127.db2.gz MOLNIZCQMMWQPT-UHFFFAOYSA-N 2 0 312.379 3.601 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(OC)c1 ZINC000658356044 1020319588 /nfs/dbraw/zinc/31/95/88/1020319588.db2.gz MLRBRDQXYLBFOA-FQEVSTJZSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc2cnccc2o1 ZINC000658353691 1020320762 /nfs/dbraw/zinc/32/07/62/1020320762.db2.gz PWGARVDZTBLNTF-CQSZACIVSA-N 2 0 313.445 3.600 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000658355541 1020322120 /nfs/dbraw/zinc/32/21/20/1020322120.db2.gz JNELQVQDMKUILP-SFHVURJKSA-N 2 0 301.478 3.634 20 0 DHADRP c1ccc(C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC000658357999 1020323368 /nfs/dbraw/zinc/32/33/68/1020323368.db2.gz XDQLDHXGVHNLSR-NRFANRHFSA-N 2 0 312.501 3.719 20 0 DHADRP C[N@@H+]1CCCC[C@H](CNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000623656654 1020340785 /nfs/dbraw/zinc/34/07/85/1020340785.db2.gz ZHRWCXZXYZOHSH-GFCCVEGCSA-N 2 0 318.358 3.666 20 0 DHADRP Clc1ccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000166388220 1020345917 /nfs/dbraw/zinc/34/59/17/1020345917.db2.gz ISYCDCDEBDEUER-JKSUJKDBSA-N 2 0 317.864 3.580 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000132608447 1020388647 /nfs/dbraw/zinc/38/86/47/1020388647.db2.gz CZAFKZYQOARJKQ-BFQNTYOBSA-N 2 0 315.288 3.854 20 0 DHADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000282421241 1020419753 /nfs/dbraw/zinc/41/97/53/1020419753.db2.gz DSNJOQAEYVNNOP-HKUYNNGSSA-N 2 0 319.468 3.806 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCCC2 ZINC000378874749 1020521095 /nfs/dbraw/zinc/52/10/95/1020521095.db2.gz XJCRWUFWAHBLEU-IAGOWNOFSA-N 2 0 308.510 3.577 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C)cn2)CC1)CC1CC1 ZINC000537756189 1032909271 /nfs/dbraw/zinc/90/92/71/1032909271.db2.gz PJBUGQQHJAOEAW-UHFFFAOYSA-N 2 0 315.505 3.724 20 0 DHADRP CSC1(C[NH2+][C@H](C)CCCC(F)(F)F)CC[NH+](C)CC1 ZINC000353624885 1020580331 /nfs/dbraw/zinc/58/03/31/1020580331.db2.gz FKFOABJRXPCEKF-GFCCVEGCSA-N 2 0 312.445 3.525 20 0 DHADRP C[NH+](C)CC(C)(C)CNc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001168769281 1020635799 /nfs/dbraw/zinc/63/57/99/1020635799.db2.gz LTBFBOXMNAUXFL-UHFFFAOYSA-N 2 0 321.534 3.530 20 0 DHADRP CC[NH+](CC)Cc1cccc(NCC(C)(C)C[NH+](C)C)c1F ZINC001168769690 1020685455 /nfs/dbraw/zinc/68/54/55/1020685455.db2.gz WTUQXIIFPAAXKS-UHFFFAOYSA-N 2 0 309.473 3.667 20 0 DHADRP COc1ccccc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154542813 1020705059 /nfs/dbraw/zinc/70/50/59/1020705059.db2.gz SJYFWZVHZSAPIR-UHFFFAOYSA-N 2 0 316.489 3.624 20 0 DHADRP CCN(CC)CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957859 1032923166 /nfs/dbraw/zinc/92/31/66/1032923166.db2.gz FWNBPGFNDJJJIT-CYBMUJFWSA-N 2 0 302.384 3.568 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001171960447 1032930412 /nfs/dbraw/zinc/93/04/12/1032930412.db2.gz ZOQRNUOYVADPAV-XJKSGUPXSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281135774 1020762297 /nfs/dbraw/zinc/76/22/97/1020762297.db2.gz NUASIDKNLPNGJR-CGTJXYLNSA-N 2 0 322.443 3.922 20 0 DHADRP Cc1nccn1CC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414067220 1020838443 /nfs/dbraw/zinc/83/84/43/1020838443.db2.gz HUHYTWYZAPIAAX-DOTOQJQBSA-N 2 0 303.837 3.771 20 0 DHADRP Cc1ncccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963939 1032934802 /nfs/dbraw/zinc/93/48/02/1032934802.db2.gz GALASRHYVCLZQA-FQEVSTJZSA-N 2 0 323.484 3.923 20 0 DHADRP COCC1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000668811631 1020876814 /nfs/dbraw/zinc/87/68/14/1020876814.db2.gz XASUQDYIYKGNML-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC1(C)C ZINC000414105375 1020895164 /nfs/dbraw/zinc/89/51/64/1020895164.db2.gz WCMOMDYULIKSHW-ROUUACIJSA-N 2 0 301.478 3.712 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000164192145 1020904878 /nfs/dbraw/zinc/90/48/78/1020904878.db2.gz GZIIWOUQVHNTOG-HXUWFJFHSA-N 2 0 316.489 3.577 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000173232338 1020904900 /nfs/dbraw/zinc/90/49/00/1020904900.db2.gz QOINNEDKLRDMAK-GOSISDBHSA-N 2 0 302.462 3.535 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000414122931 1020913642 /nfs/dbraw/zinc/91/36/42/1020913642.db2.gz AXRATLVYSGNRHN-UGSOOPFHSA-N 2 0 322.880 3.632 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000414132731 1020923238 /nfs/dbraw/zinc/92/32/38/1020923238.db2.gz ZVLLWZHDLBXJSD-IAGOWNOFSA-N 2 0 304.478 3.775 20 0 DHADRP CC(C)c1cc(Br)cc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167913422 1020935539 /nfs/dbraw/zinc/93/55/39/1020935539.db2.gz YAUQIAFSICRDIK-UHFFFAOYSA-N 2 0 316.268 3.611 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cc(C)ccc1OC ZINC000414145390 1020937615 /nfs/dbraw/zinc/93/76/15/1020937615.db2.gz BBSBKAJEGREUDA-GOSISDBHSA-N 2 0 309.413 3.892 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000414168732 1020957322 /nfs/dbraw/zinc/95/73/22/1020957322.db2.gz AKTCVMPPGKIPQT-WMZOPIPTSA-N 2 0 314.473 3.754 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000414169782 1020957581 /nfs/dbraw/zinc/95/75/81/1020957581.db2.gz BNJRWSUYUIMPDC-RHSMWYFYSA-N 2 0 322.880 3.875 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414173390 1020961962 /nfs/dbraw/zinc/96/19/62/1020961962.db2.gz FOZWVVVJFQEYIK-HNAYVOBHSA-N 2 0 316.489 3.739 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414173936 1020962042 /nfs/dbraw/zinc/96/20/42/1020962042.db2.gz HAWOGNYSESTDPW-WMZOPIPTSA-N 2 0 302.462 3.530 20 0 DHADRP COCC[C@@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000414197335 1020985663 /nfs/dbraw/zinc/98/56/63/1020985663.db2.gz KDYBXUFHKXPETF-QHGAOEGBSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]1C[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000179756339 1020997345 /nfs/dbraw/zinc/99/73/45/1020997345.db2.gz VRAUFPVDPGWZHA-QFBILLFUSA-N 2 0 301.478 3.567 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414225820 1021012461 /nfs/dbraw/zinc/01/24/61/1021012461.db2.gz BPINQUGHSMFXHG-KEYYUXOJSA-N 2 0 322.443 3.705 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)OCC2CC2)CC1 ZINC000414250441 1021031463 /nfs/dbraw/zinc/03/14/63/1021031463.db2.gz BDEJNIHHIPGXEK-LPHOPBHVSA-N 2 0 322.537 3.824 20 0 DHADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000414337547 1021107677 /nfs/dbraw/zinc/10/76/77/1021107677.db2.gz DOYNLXVLQSMICG-OUUBHVDSSA-N 2 0 322.452 3.921 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924580668 1021130627 /nfs/dbraw/zinc/13/06/27/1021130627.db2.gz ANIWJHJPUCNYIB-AWEZNQCLSA-N 2 0 313.445 3.738 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2cccnc12 ZINC000647543589 1021149262 /nfs/dbraw/zinc/14/92/62/1021149262.db2.gz PXAIPDTXXBVCHV-PMACEKPBSA-N 2 0 323.484 3.755 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2cccnc12 ZINC000647543591 1021149802 /nfs/dbraw/zinc/14/98/02/1021149802.db2.gz PXAIPDTXXBVCHV-VQTJNVASSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423214904 1021163094 /nfs/dbraw/zinc/16/30/94/1021163094.db2.gz LYCGLDMYYXIKST-ZHLCCONPSA-N 2 0 306.416 3.721 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423274686 1021165760 /nfs/dbraw/zinc/16/57/60/1021165760.db2.gz KTJIAZSJJONWEC-XPTIKBJXSA-N 2 0 306.416 3.851 20 0 DHADRP CC(C)([NH3+])C(C)(C)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974722 1032960556 /nfs/dbraw/zinc/96/05/56/1032960556.db2.gz IXASXQUIJHAEPJ-KRWDZBQOSA-N 2 0 317.521 3.535 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)[C@H](C)C1 ZINC000537984945 1032960798 /nfs/dbraw/zinc/96/07/98/1032960798.db2.gz NWLHVRFBNIRZHC-RSPOEFSDSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392676 1021220131 /nfs/dbraw/zinc/22/01/31/1021220131.db2.gz KLQOTBIAYWKNEC-ZIFCJYIRSA-N 2 0 300.490 3.718 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC001171976498 1032962709 /nfs/dbraw/zinc/96/27/09/1032962709.db2.gz SDAHJYIMUYEKOV-MSOLQXFVSA-N 2 0 316.489 3.587 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000423493584 1021261511 /nfs/dbraw/zinc/26/15/11/1021261511.db2.gz BXWIFJPBRRQKPX-DIOULYMOSA-N 2 0 323.278 3.544 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1 ZINC000924584993 1021263464 /nfs/dbraw/zinc/26/34/64/1021263464.db2.gz KBXKKMMFNKPMNR-PBPGXSGUSA-N 2 0 316.489 3.576 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2OC)C2CCCC2)C1 ZINC000091287722 1021274484 /nfs/dbraw/zinc/27/44/84/1021274484.db2.gz TUDPTCQHFUINLN-OXJNMPFZSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(C(F)(F)F)c1 ZINC000924650020 1032968928 /nfs/dbraw/zinc/96/89/28/1032968928.db2.gz PMGPOLLTPAHPQR-QWRGUYRKSA-N 2 0 318.408 3.902 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCOC(C)(C)C)CC1)CC(C)C ZINC000537995465 1032970770 /nfs/dbraw/zinc/97/07/70/1032970770.db2.gz OLAXMHDMAGVZQU-UHFFFAOYSA-N 2 0 312.542 3.882 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125792867 1032974524 /nfs/dbraw/zinc/97/45/24/1032974524.db2.gz ZEPFNEFGRNBYMK-HKUYNNGSSA-N 2 0 318.505 3.726 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000624120570 1021393074 /nfs/dbraw/zinc/39/30/74/1021393074.db2.gz BTPFQHHCLKGFTE-KBPBESRZSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H](CSCCF)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000850467605 1021552244 /nfs/dbraw/zinc/55/22/44/1021552244.db2.gz XTJBOMRBBOIISN-WMZOPIPTSA-N 2 0 324.509 3.579 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000850483761 1021559696 /nfs/dbraw/zinc/55/96/96/1021559696.db2.gz UAAPYNHATOHRMD-HXUWFJFHSA-N 2 0 322.537 3.826 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CC2CSC2)C3)cc1 ZINC001172064584 1032989357 /nfs/dbraw/zinc/98/93/57/1032989357.db2.gz HWNVLLXYXKJFBZ-LDLYASANSA-N 2 0 316.514 3.525 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC001172100053 1032989487 /nfs/dbraw/zinc/98/94/87/1032989487.db2.gz MBYAXACHEQZMCZ-PHZGNYQRSA-N 2 0 312.379 3.810 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000181617843 1021575658 /nfs/dbraw/zinc/57/56/58/1021575658.db2.gz KXUXRCYOKIONHR-DOMZBBRYSA-N 2 0 300.368 3.840 20 0 DHADRP CN1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@@H]1c1ccccc1 ZINC000556172105 1021588663 /nfs/dbraw/zinc/58/86/63/1021588663.db2.gz UGYGFTSCTYQXRQ-KSZLIROESA-N 2 0 316.489 3.758 20 0 DHADRP CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000926861285 1021672200 /nfs/dbraw/zinc/67/22/00/1021672200.db2.gz YINXCRDVYVTBAA-MNEFBYGVSA-N 2 0 304.478 3.604 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125845526 1032998951 /nfs/dbraw/zinc/99/89/51/1032998951.db2.gz WFXWNFRPWOSFEL-IRXDYDNUSA-N 2 0 304.478 3.856 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC13CC4CC(CC(C4)C1)C3)C2 ZINC001172103140 1033005663 /nfs/dbraw/zinc/00/56/63/1033005663.db2.gz SKZNRSHAYLSLBJ-GEPYFKQHSA-N 2 0 302.506 3.808 20 0 DHADRP CCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172104035 1033003000 /nfs/dbraw/zinc/00/30/00/1033003000.db2.gz ZAASRDXXVAAIJF-BCDXTJNWSA-N 2 0 302.462 3.580 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000556865377 1021901678 /nfs/dbraw/zinc/90/16/78/1021901678.db2.gz LKKQKVDYJRLSGA-YESZJQIVSA-N 2 0 324.921 3.895 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000556871407 1021912140 /nfs/dbraw/zinc/91/21/40/1021912140.db2.gz LZYIMHRIMSXJNT-PCCBWWKXSA-N 2 0 321.468 3.711 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@@H]2CCC[C@@H]21 ZINC000556886755 1021918028 /nfs/dbraw/zinc/91/80/28/1021918028.db2.gz VQHQKIDKQCKHCY-FHWLQOOXSA-N 2 0 314.473 3.580 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1-c1cccnc1)C2 ZINC001172112618 1033017281 /nfs/dbraw/zinc/01/72/81/1033017281.db2.gz YHRPQOVLBLQHNB-ACDBMABISA-N 2 0 321.468 3.854 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933375 1021957949 /nfs/dbraw/zinc/95/79/49/1021957949.db2.gz CICLSEXXUXWPPH-APWZRJJASA-N 2 0 304.453 3.565 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccc(F)c3)CC1)C2 ZINC001172112143 1033019807 /nfs/dbraw/zinc/01/98/07/1033019807.db2.gz SDGJYPLOAPNPMT-REPLKXPHSA-N 2 0 316.464 3.753 20 0 DHADRP Cc1ccc(Cl)c(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172114320 1033020592 /nfs/dbraw/zinc/02/05/92/1033020592.db2.gz NJFZNYWKWDPQBU-QDMKHBRRSA-N 2 0 324.871 3.935 20 0 DHADRP COc1c(F)cccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115741 1033020817 /nfs/dbraw/zinc/02/08/17/1033020817.db2.gz ZTGWXKWXIYGOKU-ZQDZILKHSA-N 2 0 306.425 3.500 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CSc2ccccc2C1 ZINC001172186645 1033029074 /nfs/dbraw/zinc/02/90/74/1033029074.db2.gz BAWNUOSDFWUOCI-KRWDZBQOSA-N 2 0 304.503 3.687 20 0 DHADRP CCC[C@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000538306278 1033029216 /nfs/dbraw/zinc/02/92/16/1033029216.db2.gz LCCRBBGYRSRIEI-LJQANCHMSA-N 2 0 318.505 3.613 20 0 DHADRP CCCCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(C)C ZINC000766450667 1022120315 /nfs/dbraw/zinc/12/03/15/1022120315.db2.gz CDFSXYKRRLLJEO-OALUTQOASA-N 2 0 322.537 3.967 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(CC)CC ZINC000766487498 1022124623 /nfs/dbraw/zinc/12/46/23/1022124623.db2.gz IAHSAVLMSCYDMQ-IAGOWNOFSA-N 2 0 310.526 3.823 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCOCC1 ZINC000766511215 1022144135 /nfs/dbraw/zinc/14/41/35/1022144135.db2.gz BHUPRGQUWWGZJZ-ACBHZAAOSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(C)n1 ZINC000766511122 1022144730 /nfs/dbraw/zinc/14/47/30/1022144730.db2.gz AASAIADSHOXAIY-ZLPCBKJTSA-N 2 0 316.493 3.541 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C(C)(C)O1 ZINC000766514526 1022156468 /nfs/dbraw/zinc/15/64/68/1022156468.db2.gz YICKBPPRUABWLA-OFLPRAFFSA-N 2 0 308.510 3.719 20 0 DHADRP CCCCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000852762384 1022174946 /nfs/dbraw/zinc/17/49/46/1022174946.db2.gz LONLXYDLTYOWTN-UHFFFAOYSA-N 2 0 318.509 3.636 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172192138 1033035058 /nfs/dbraw/zinc/03/50/58/1033035058.db2.gz XRIKINFRYNBXHE-JFIYKMOQSA-N 2 0 318.530 3.661 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205996338 1022226764 /nfs/dbraw/zinc/22/67/64/1022226764.db2.gz WHHQADXPJOEAIH-TZMCWYRMSA-N 2 0 300.368 3.512 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001169049438 1022229780 /nfs/dbraw/zinc/22/97/80/1022229780.db2.gz HRZXRUGLGRYWEH-UXHICEINSA-N 2 0 302.506 3.965 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242043 1022242819 /nfs/dbraw/zinc/24/28/19/1022242819.db2.gz ZQDQAVOWMLJWTM-RDJZCZTQSA-N 2 0 304.453 3.907 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C[NH3+])c3cc(Cl)ccc31)C2 ZINC001169102287 1022246876 /nfs/dbraw/zinc/24/68/76/1022246876.db2.gz YYYCOCTWKHBRNN-FICVDOATSA-N 2 0 303.837 3.551 20 0 DHADRP FC(F)(F)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925535568 1022257540 /nfs/dbraw/zinc/25/75/40/1022257540.db2.gz HKMXHWLDTZUTHT-QDIHITRGSA-N 2 0 318.427 3.865 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nccc2c1CCCC2 ZINC000921469103 1022262736 /nfs/dbraw/zinc/26/27/36/1022262736.db2.gz ATMAZRBCGUOYRW-MRXNPFEDSA-N 2 0 303.494 3.561 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001169109048 1022267133 /nfs/dbraw/zinc/26/71/33/1022267133.db2.gz HCTBECQLRBRJKE-BJWYYQGGSA-N 2 0 302.462 3.579 20 0 DHADRP Cc1ccc(Cl)c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC001169110089 1022267809 /nfs/dbraw/zinc/26/78/09/1022267809.db2.gz KHMCWYSGLIZGMW-ZSOGYDGISA-N 2 0 310.844 3.545 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c([C@@H]3CCC[NH2+]3)cc3ccccc31)C2 ZINC001169140655 1022271549 /nfs/dbraw/zinc/27/15/49/1022271549.db2.gz LEPJTDOIQYDMSC-MLHJIOFPSA-N 2 0 309.457 3.864 20 0 DHADRP Cc1cc2[nH+]ccn2cc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142491 1022274376 /nfs/dbraw/zinc/27/43/76/1022274376.db2.gz GYVMPXTWJDELRC-KDOFPFPSSA-N 2 0 300.450 3.598 20 0 DHADRP CC1(C)C[C@@H](Nc2ccc(C3([NH3+])CC3)cc2)C[C@@](C)(C[NH3+])C1 ZINC001169147134 1022278175 /nfs/dbraw/zinc/27/81/75/1022278175.db2.gz SMNUCWPVWOGAIA-SJLPKXTDSA-N 2 0 301.478 3.590 20 0 DHADRP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003493 1022291026 /nfs/dbraw/zinc/29/10/26/1022291026.db2.gz ISCCTKNSOAJXDK-ZIAGYGMSSA-N 2 0 310.869 3.546 20 0 DHADRP CC[NH+]1CCC(n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)CC1 ZINC001169263908 1022318633 /nfs/dbraw/zinc/31/86/33/1022318633.db2.gz COSJQZJXPHHZQU-QGZVFWFLSA-N 2 0 312.461 3.508 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000363853362 1022338592 /nfs/dbraw/zinc/33/85/92/1022338592.db2.gz DEJAXPFQGWJQGG-JRBPQWBISA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000155410600 1022397868 /nfs/dbraw/zinc/39/78/68/1022397868.db2.gz PCDAGCKXGMWGBV-CPUCHLNUSA-N 2 0 306.881 3.690 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172195782 1033053606 /nfs/dbraw/zinc/05/36/06/1033053606.db2.gz BPIPPZXDWRBMOX-SFHVURJKSA-N 2 0 318.530 3.661 20 0 DHADRP C[C@H]([NH2+]CCc1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000155580083 1022408548 /nfs/dbraw/zinc/40/85/48/1022408548.db2.gz HWUANKOKDRDRCQ-HNNXBMFYSA-N 2 0 318.486 3.582 20 0 DHADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000925554463 1022413034 /nfs/dbraw/zinc/41/30/34/1022413034.db2.gz AOVKSYAACHOEGW-XWSJACJDSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)C1CC[NH+](C)CC1 ZINC000396457549 1022474505 /nfs/dbraw/zinc/47/45/05/1022474505.db2.gz NYLGZFYORIPGDK-BLLLJJGKSA-N 2 0 308.466 3.683 20 0 DHADRP C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396456908 1022475522 /nfs/dbraw/zinc/47/55/22/1022475522.db2.gz NGFWFYKMLAGORY-LLVKDONJSA-N 2 0 301.261 3.813 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001169683193 1022497005 /nfs/dbraw/zinc/49/70/05/1022497005.db2.gz JCZUJTZAIMIYEC-MSOLQXFVSA-N 2 0 322.456 3.746 20 0 DHADRP C[C@@H]([NH2+]CCc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272500716 1022504129 /nfs/dbraw/zinc/50/41/29/1022504129.db2.gz NWKVFOLKIVUMOF-AEFFLSMTSA-N 2 0 314.498 3.791 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157013277 1022514092 /nfs/dbraw/zinc/51/40/92/1022514092.db2.gz FOBFUMALJMEZLQ-OAHLLOKOSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](C)N(C)C ZINC000671108699 1022526315 /nfs/dbraw/zinc/52/63/15/1022526315.db2.gz MNAIDVBMCDQJOQ-HUUCEWRRSA-N 2 0 301.478 3.764 20 0 DHADRP CC(C)C1=[NH+]CCc2ccc(NCC34CC[NH+](CC3)CC4)cc21 ZINC001169802306 1022543095 /nfs/dbraw/zinc/54/30/95/1022543095.db2.gz MGUYPJJYRMSXMY-UHFFFAOYSA-N 2 0 311.473 3.586 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CC4(CO3)CCCCC4)C2)CC1 ZINC001169781775 1022545403 /nfs/dbraw/zinc/54/54/03/1022545403.db2.gz VPCHULGUKJZWAW-GOSISDBHSA-N 2 0 320.521 3.534 20 0 DHADRP CC[C@H](C)C1CCC([NH2+]C2CC[NH+](CCCOC)CC2)CC1 ZINC001172247984 1033067009 /nfs/dbraw/zinc/06/70/09/1033067009.db2.gz SZGHNNLDOPFPJJ-AOCRQIFASA-N 2 0 310.526 3.682 20 0 DHADRP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206023620 1022569610 /nfs/dbraw/zinc/56/96/10/1022569610.db2.gz FXTQWMOFMVGHSR-OLZOCXBDSA-N 2 0 312.910 3.869 20 0 DHADRP CCCCC1CCC([NH2+]C2CC[NH+](CCCOC)CC2)CC1 ZINC001172247496 1033066821 /nfs/dbraw/zinc/06/68/21/1033066821.db2.gz JRTCOFYWLVKVDE-UHFFFAOYSA-N 2 0 310.526 3.826 20 0 DHADRP CC[NH+]1CCC(NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000236857073 1022617482 /nfs/dbraw/zinc/61/74/82/1022617482.db2.gz MBMGJPMKZNTDLG-UHFFFAOYSA-N 2 0 320.786 3.933 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000158244807 1022619450 /nfs/dbraw/zinc/61/94/50/1022619450.db2.gz XXVXMFYESQCHRO-RYUDHWBXSA-N 2 0 301.261 3.986 20 0 DHADRP Cc1ccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)cc1 ZINC000315505688 1022643637 /nfs/dbraw/zinc/64/36/37/1022643637.db2.gz YSSXYJCGQFYDKG-UHFFFAOYSA-N 2 0 315.486 3.679 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334843 1022691216 /nfs/dbraw/zinc/69/12/16/1022691216.db2.gz RURYCOWXPYXXAN-PQEBFOHHSA-N 2 0 304.503 3.847 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000584807367 1022759155 /nfs/dbraw/zinc/75/91/55/1022759155.db2.gz VTOJVZBOMFLZQD-BCFRTAFHSA-N 2 0 308.416 3.673 20 0 DHADRP CC(C)[C@H](C[NH+]1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000584839341 1022798581 /nfs/dbraw/zinc/79/85/81/1022798581.db2.gz JUOLXRSSZUFFOS-FQEVSTJZSA-N 2 0 300.490 3.890 20 0 DHADRP COC1(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CCC1 ZINC000338997502 1022842279 /nfs/dbraw/zinc/84/22/79/1022842279.db2.gz NIQKNOJGVLSXIT-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768095060 1022882737 /nfs/dbraw/zinc/88/27/37/1022882737.db2.gz ZPTJTDXCRGHFEB-LPHOPBHVSA-N 2 0 316.489 3.784 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000159313124 1022899279 /nfs/dbraw/zinc/89/92/79/1022899279.db2.gz CAGQESLEKJTWAH-QAPCUYQASA-N 2 0 304.453 3.567 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000414922520 1022911690 /nfs/dbraw/zinc/91/16/90/1022911690.db2.gz HEVGUCDXICYNIK-ZLGJRNTRSA-N 2 0 302.462 3.581 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000414925399 1022922338 /nfs/dbraw/zinc/92/23/38/1022922338.db2.gz LTFGJPAATIAOTG-IAGOWNOFSA-N 2 0 311.429 3.542 20 0 DHADRP FC(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925640014 1022923691 /nfs/dbraw/zinc/92/36/91/1022923691.db2.gz PZMDDPLMXWMIRV-IAGOWNOFSA-N 2 0 308.416 3.882 20 0 DHADRP CCCCCOc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000414929635 1022928361 /nfs/dbraw/zinc/92/83/61/1022928361.db2.gz RWARYYMXBKNETO-IRXDYDNUSA-N 2 0 320.477 3.624 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000164834229 1022961374 /nfs/dbraw/zinc/96/13/74/1022961374.db2.gz HZPPMCVVZCYIJQ-LRDDRELGSA-N 2 0 312.860 3.687 20 0 DHADRP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294141196 1022975255 /nfs/dbraw/zinc/97/52/55/1022975255.db2.gz GJZOUSLLSBZUQE-FQEVSTJZSA-N 2 0 307.441 3.718 20 0 DHADRP c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294141202 1022975992 /nfs/dbraw/zinc/97/59/92/1022975992.db2.gz GJZOUSLLSBZUQE-HXUWFJFHSA-N 2 0 307.441 3.718 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000166048502 1023002316 /nfs/dbraw/zinc/00/23/16/1023002316.db2.gz IVQSVGLRDRXRSM-CHWSQXEVSA-N 2 0 318.914 3.799 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000859211829 1033099485 /nfs/dbraw/zinc/09/94/85/1033099485.db2.gz ARMRJBYGWCRFGL-HNNXBMFYSA-N 2 0 315.288 3.764 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CC(C(F)F)C1 ZINC000768694386 1023008278 /nfs/dbraw/zinc/00/82/78/1023008278.db2.gz AZPSVWKYRLTMDD-QBBMROGASA-N 2 0 322.443 3.776 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCC(F)(F)F)cc1 ZINC000859211717 1033099992 /nfs/dbraw/zinc/09/99/92/1033099992.db2.gz BWFPXGSRHIEHJC-UHFFFAOYSA-N 2 0 302.384 3.913 20 0 DHADRP CC[NH+](CC)Cc1cncc(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001167754319 1023047989 /nfs/dbraw/zinc/04/79/89/1023047989.db2.gz WDJWJUYPHVAYMU-KRWDZBQOSA-N 2 0 318.509 3.600 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([C@H]2CC[NH+](C)C2)cc1 ZINC001167755005 1023054019 /nfs/dbraw/zinc/05/40/19/1023054019.db2.gz YHILOEBDJFZSEH-MJGOQNOKSA-N 2 0 315.505 3.782 20 0 DHADRP C[NH+]1CCC(C[NH2+]CCc2nc(C3CCCCC3)cs2)CC1 ZINC000893352162 1023084166 /nfs/dbraw/zinc/08/41/66/1023084166.db2.gz GXTOQZOBFHQJEY-UHFFFAOYSA-N 2 0 321.534 3.665 20 0 DHADRP CC/C=C\CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001279245375 1023159603 /nfs/dbraw/zinc/15/96/03/1023159603.db2.gz DGVRZRCJKHWERX-XHHZUUQWSA-N 2 0 321.553 3.613 20 0 DHADRP C[N@H+](CCc1ccc(F)cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000337634262 1033110709 /nfs/dbraw/zinc/11/07/09/1033110709.db2.gz RIXYIHOVEUVMGA-UHFFFAOYSA-N 2 0 309.388 3.686 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859243727 1033111075 /nfs/dbraw/zinc/11/10/75/1033111075.db2.gz FSWJBJHGZUSTGJ-UHFFFAOYSA-N 2 0 307.457 3.555 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001172336188 1033119809 /nfs/dbraw/zinc/11/98/09/1033119809.db2.gz MCQFOPYCTUFZIJ-DLBZAZTESA-N 2 0 310.526 3.682 20 0 DHADRP FC1(F)CC12CCC([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC2 ZINC000925710637 1023321684 /nfs/dbraw/zinc/32/16/84/1023321684.db2.gz XIJDIBIGKIVQEI-VUROTCPHSA-N 2 0 312.448 3.712 20 0 DHADRP c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000660678629 1023375873 /nfs/dbraw/zinc/37/58/73/1023375873.db2.gz XDYRZFIQPRXXNS-NRFANRHFSA-N 2 0 306.453 3.928 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925720467 1023425840 /nfs/dbraw/zinc/42/58/40/1023425840.db2.gz SWNITZPEJIEHSV-ZJPYXAASSA-N 2 0 310.526 3.856 20 0 DHADRP CCOc1ccc(C2=CC[N@H+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC000893437936 1023531046 /nfs/dbraw/zinc/53/10/46/1023531046.db2.gz YDPOFXZGJHTBCH-UHFFFAOYSA-N 2 0 314.473 3.516 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCO[C@@H](CC)c2ccccc2)CC1 ZINC000651908996 1023629625 /nfs/dbraw/zinc/62/96/25/1023629625.db2.gz UJCJGHQVCZEEDN-IBGZPJMESA-N 2 0 304.478 3.618 20 0 DHADRP CC(C[NH+]1CCC[C@@H](CCF)C1)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661691297 1023689839 /nfs/dbraw/zinc/68/98/39/1023689839.db2.gz TWFWQAXNZPIEKI-ROUUACIJSA-N 2 0 316.480 3.766 20 0 DHADRP CC[C@@H]([NH2+]Cc1cncc(C[NH2+][C@H](CC)C2CC2)c1)C1CC1 ZINC000661761859 1023734142 /nfs/dbraw/zinc/73/41/42/1023734142.db2.gz JQENBTHEJJLVAO-RTBURBONSA-N 2 0 301.478 3.638 20 0 DHADRP CC(C)CCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001170071224 1023778622 /nfs/dbraw/zinc/77/86/22/1023778622.db2.gz LJENFBRZZMMUPV-QGZVFWFLSA-N 2 0 303.494 3.632 20 0 DHADRP C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652326237 1023781866 /nfs/dbraw/zinc/78/18/66/1023781866.db2.gz CQOLVMYIGHEYTM-HNNXBMFYSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348077 1023806762 /nfs/dbraw/zinc/80/67/62/1023806762.db2.gz TYGCDWQULWDKRY-KCMWZYNZSA-N 2 0 322.880 3.619 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc3ccccc32)C1 ZINC000652360688 1023816307 /nfs/dbraw/zinc/81/63/07/1023816307.db2.gz OBQUQNLPRZGXKW-HLAWJBBLSA-N 2 0 324.468 3.701 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)n1 ZINC001206035183 1023844657 /nfs/dbraw/zinc/84/46/57/1023844657.db2.gz BWPLNCLZHMBJHH-ZIAGYGMSSA-N 2 0 309.885 3.665 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000796702612 1023940926 /nfs/dbraw/zinc/94/09/26/1023940926.db2.gz CGEFXPLUGFBSPF-VQTJNVASSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1F ZINC000658358718 1023957740 /nfs/dbraw/zinc/95/77/40/1023957740.db2.gz XMRXHVVMORJVEZ-CYBMUJFWSA-N 2 0 308.416 3.737 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000925761001 1024047533 /nfs/dbraw/zinc/04/75/33/1024047533.db2.gz WQJKSNWDNWHBBS-SJORKVTESA-N 2 0 301.478 3.620 20 0 DHADRP CC(C)Oc1cccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662280748 1024059168 /nfs/dbraw/zinc/05/91/68/1024059168.db2.gz PZZQJCLHFRTQMC-UHFFFAOYSA-N 2 0 324.468 3.752 20 0 DHADRP C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2F)CCC[C@H]1C[NH3+] ZINC001206036591 1024061378 /nfs/dbraw/zinc/06/13/78/1024061378.db2.gz LSKDINDIRRUJMA-QWRGUYRKSA-N 2 0 319.251 3.939 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662281947 1024063428 /nfs/dbraw/zinc/06/34/28/1024063428.db2.gz MSZJRADGEGICOC-ZDUSSCGKSA-N 2 0 300.833 3.837 20 0 DHADRP C[C@H](c1ncc(C(C)(C)C)o1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295362 1024077040 /nfs/dbraw/zinc/07/70/40/1024077040.db2.gz ZHNUGQCNUDBMMN-ZBFHGGJFSA-N 2 0 319.493 3.745 20 0 DHADRP COc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000662295133 1024077464 /nfs/dbraw/zinc/07/74/64/1024077464.db2.gz SZUHDBKLXXJELE-HNNXBMFYSA-N 2 0 322.880 3.560 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294568 1024078234 /nfs/dbraw/zinc/07/82/34/1024078234.db2.gz CMBUFTSXSKFCHD-BBRMVZONSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297426 1024082181 /nfs/dbraw/zinc/08/21/81/1024082181.db2.gz PRHCWQRPSNXBRA-DZGCQCFKSA-N 2 0 308.416 3.737 20 0 DHADRP CCCCc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662315016 1024100896 /nfs/dbraw/zinc/10/08/96/1024100896.db2.gz RYNVQJCBDPKKTE-GDBMZVCRSA-N 2 0 309.523 3.825 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)[C@@H]1CCC[NH3+] ZINC000662313625 1024104492 /nfs/dbraw/zinc/10/44/92/1024104492.db2.gz JQRONDDPFXEXLT-CRAIPNDOSA-N 2 0 313.445 3.681 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)[C@@H]1CCC[NH3+] ZINC000662314044 1024104556 /nfs/dbraw/zinc/10/45/56/1024104556.db2.gz LRLDZBQHYPNTQH-UKRRQHHQSA-N 2 0 319.474 3.743 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)[C@@H]1CCC[NH3+] ZINC000662313373 1024105101 /nfs/dbraw/zinc/10/51/01/1024105101.db2.gz KVMOMTAMFAOXKQ-DNVCBOLYSA-N 2 0 313.445 3.681 20 0 DHADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325617 1024106832 /nfs/dbraw/zinc/10/68/32/1024106832.db2.gz NVZCGVXWRWUUKP-PXNSSMCTSA-N 2 0 318.505 3.914 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268672268 1024140296 /nfs/dbraw/zinc/14/02/96/1024140296.db2.gz UMYIQWYBXZTGPG-QGZVFWFLSA-N 2 0 324.472 3.526 20 0 DHADRP CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cn1 ZINC000268714856 1024146514 /nfs/dbraw/zinc/14/65/14/1024146514.db2.gz LWHNIWINMCGIIR-GJZGRUSLSA-N 2 0 309.417 3.501 20 0 DHADRP C[C@H](NC1(C[NH2+]C[C@H]2CCC=CO2)CCCC1)c1ccccc1 ZINC000789743443 1024160436 /nfs/dbraw/zinc/16/04/36/1024160436.db2.gz ANLNRCNNOFJEAU-PKOBYXMFSA-N 2 0 314.473 3.932 20 0 DHADRP Cc1ccsc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268784817 1024160706 /nfs/dbraw/zinc/16/07/06/1024160706.db2.gz BXKWFWTYDGCZCQ-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001170120467 1024170219 /nfs/dbraw/zinc/17/02/19/1024170219.db2.gz HLOZYEUZFVHQED-PBHICJAKSA-N 2 0 306.881 3.864 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCc3c2cccc3F)ccc1F ZINC000268842113 1024177292 /nfs/dbraw/zinc/17/72/92/1024177292.db2.gz ABMXWTJUUHAONA-IBGZPJMESA-N 2 0 316.395 3.804 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCSCC1 ZINC000268859508 1024182238 /nfs/dbraw/zinc/18/22/38/1024182238.db2.gz FMAJNDJJNNJFHZ-QFBILLFUSA-N 2 0 318.530 3.630 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000268864676 1024182437 /nfs/dbraw/zinc/18/24/37/1024182437.db2.gz CJKFKRMJUVOULO-FQEVSTJZSA-N 2 0 314.473 3.679 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000248998794 1024185368 /nfs/dbraw/zinc/18/53/68/1024185368.db2.gz PVVNTUYKSUBNLL-PKOBYXMFSA-N 2 0 306.494 3.656 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000162585056 1024188618 /nfs/dbraw/zinc/18/86/18/1024188618.db2.gz LBXQECFKLGYJFY-OAQYLSRUSA-N 2 0 324.468 3.794 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000790081781 1024209139 /nfs/dbraw/zinc/20/91/39/1024209139.db2.gz RZYGUILZLUNLIS-LLVKDONJSA-N 2 0 321.412 3.544 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000790048181 1024212466 /nfs/dbraw/zinc/21/24/66/1024212466.db2.gz GWFFGJMJDUFPGP-IBGZPJMESA-N 2 0 300.490 3.818 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1OC(F)F ZINC000269020466 1024223474 /nfs/dbraw/zinc/22/34/74/1024223474.db2.gz PNNLOMJYKPAAMA-CQSZACIVSA-N 2 0 300.393 3.671 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCO2 ZINC000269050400 1024230145 /nfs/dbraw/zinc/23/01/45/1024230145.db2.gz VVASOADNNNOUMA-IBGZPJMESA-N 2 0 314.473 3.679 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000269061865 1024232279 /nfs/dbraw/zinc/23/22/79/1024232279.db2.gz XXJNLTDOZIGFNH-INIZCTEOSA-N 2 0 324.472 3.540 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000236791830 1024248400 /nfs/dbraw/zinc/24/84/00/1024248400.db2.gz WEARRHBJMXPZBR-UHFFFAOYSA-N 2 0 316.489 3.612 20 0 DHADRP Cc1ccncc1CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278871210 1024252931 /nfs/dbraw/zinc/25/29/31/1024252931.db2.gz GEWOTLPMEFFXOV-MJGOQNOKSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccncn1 ZINC000453064590 1024295738 /nfs/dbraw/zinc/29/57/38/1024295738.db2.gz TYFXADRJIPQOLP-IAGOWNOFSA-N 2 0 324.472 3.702 20 0 DHADRP Fc1ccc(C[NH+]2CCC(Nc3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000663397777 1024295847 /nfs/dbraw/zinc/29/58/47/1024295847.db2.gz HFSLNMCFDYFSHM-UHFFFAOYSA-N 2 0 324.403 3.779 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccncn1 ZINC000453084724 1024320691 /nfs/dbraw/zinc/32/06/91/1024320691.db2.gz WMXBIJUACCPPSL-QGZVFWFLSA-N 2 0 324.472 3.559 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)c1ccncc1 ZINC000453131704 1024359183 /nfs/dbraw/zinc/35/91/83/1024359183.db2.gz PPRIOCONBQYOSI-IBGZPJMESA-N 2 0 303.494 3.880 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)(C)C ZINC000453161547 1024375436 /nfs/dbraw/zinc/37/54/36/1024375436.db2.gz OQIDWTJSFIOCHO-SQNIBIBYSA-N 2 0 310.526 3.559 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000883356656 1024401599 /nfs/dbraw/zinc/40/15/99/1024401599.db2.gz RWDMJKMQLPILQQ-BHIYHBOVSA-N 2 0 320.521 3.721 20 0 DHADRP FC1(F)CC2(C[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC000663464729 1024405460 /nfs/dbraw/zinc/40/54/60/1024405460.db2.gz XSYGCXFOMGETIS-UHFFFAOYSA-N 2 0 320.427 3.904 20 0 DHADRP C[C@H](CC[NH+]1CC[C@@H](C(F)F)C1)CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000663464492 1024405507 /nfs/dbraw/zinc/40/55/07/1024405507.db2.gz ZGHYEFCRDLAQGS-ZSOGYDGISA-N 2 0 324.406 3.577 20 0 DHADRP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468061 1024405524 /nfs/dbraw/zinc/40/55/24/1024405524.db2.gz KCSVLAJBAZVAOP-AEFFLSMTSA-N 2 0 318.480 3.858 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466968 1024409556 /nfs/dbraw/zinc/40/95/56/1024409556.db2.gz CHAOYEQYYDXMFT-QFBILLFUSA-N 2 0 318.480 3.858 20 0 DHADRP Fc1cccc(C2CC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)c1 ZINC000663466708 1024411065 /nfs/dbraw/zinc/41/10/65/1024411065.db2.gz XFYQCSNYOYOFQT-VQSBYGRUSA-N 2 0 316.464 3.783 20 0 DHADRP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468963 1024416309 /nfs/dbraw/zinc/41/63/09/1024416309.db2.gz NREHJOSXGBWKHF-SJORKVTESA-N 2 0 306.519 3.781 20 0 DHADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000883417513 1024431252 /nfs/dbraw/zinc/43/12/52/1024431252.db2.gz CNRGQEKERGRUGZ-PMACEKPBSA-N 2 0 316.489 3.618 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438874 1024435355 /nfs/dbraw/zinc/43/53/55/1024435355.db2.gz DXZCWSCHHAHTND-HBFSDRIKSA-N 2 0 316.489 3.604 20 0 DHADRP c1ccc([C@H]2CSCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000883460573 1024437600 /nfs/dbraw/zinc/43/76/00/1024437600.db2.gz ANZKTNIGMDYERC-FUHWJXTLSA-N 2 0 304.503 3.556 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(Br)cc2)CC[N@@H+]1C ZINC000453310835 1024458260 /nfs/dbraw/zinc/45/82/60/1024458260.db2.gz GFKFPSSZKRPOOY-HRQKUVISSA-N 2 0 323.278 3.535 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cscn1 ZINC000271126222 1024458845 /nfs/dbraw/zinc/45/88/45/1024458845.db2.gz KRHSMUGTTHMNNC-CYBMUJFWSA-N 2 0 321.515 3.767 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000303398590 1024462055 /nfs/dbraw/zinc/46/20/55/1024462055.db2.gz FDQIDVXRYMBQKS-QFBILLFUSA-N 2 0 310.441 3.577 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2ccccc2C)C1 ZINC001167824280 1024477363 /nfs/dbraw/zinc/47/73/63/1024477363.db2.gz DAOQBOYXDLTNRI-OALUTQOASA-N 2 0 318.505 3.959 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCc1cccc(OC)c1 ZINC001167824707 1024484330 /nfs/dbraw/zinc/48/43/30/1024484330.db2.gz FTARKQIHOOFULO-QGZVFWFLSA-N 2 0 306.494 3.680 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499514 1024491577 /nfs/dbraw/zinc/49/15/77/1024491577.db2.gz XVIHIQYTLBLNTN-HHBUMJEXSA-N 2 0 324.390 3.683 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000663503567 1024492195 /nfs/dbraw/zinc/49/21/95/1024492195.db2.gz PJYKCTHKAQPNPS-SWLSCSKDSA-N 2 0 302.384 3.599 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C1CC1 ZINC000453401122 1024499712 /nfs/dbraw/zinc/49/97/12/1024499712.db2.gz MQMBLMVLTQNXIW-XLIONFOSSA-N 2 0 316.489 3.618 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCc1ccc(OC)cc1 ZINC001167826529 1024502543 /nfs/dbraw/zinc/50/25/43/1024502543.db2.gz PRZBBTTVZXMGOL-KRWDZBQOSA-N 2 0 306.494 3.680 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000453395884 1024512425 /nfs/dbraw/zinc/51/24/25/1024512425.db2.gz IDAFSJFLNBGDCU-SJLPKXTDSA-N 2 0 301.478 3.572 20 0 DHADRP C[N@H+](CCCC[NH2+]C1CCC(c2ccc(O)cc2)CC1)C1CC1 ZINC000453598161 1024537429 /nfs/dbraw/zinc/53/74/29/1024537429.db2.gz PFVSOBAYPXLGOC-UHFFFAOYSA-N 2 0 316.489 3.882 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000532196169 1024573527 /nfs/dbraw/zinc/57/35/27/1024573527.db2.gz HJKUBIYNOZFTKZ-BEFAXECRSA-N 2 0 304.478 3.763 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000532201225 1024574982 /nfs/dbraw/zinc/57/49/82/1024574982.db2.gz QITMLMPYCDHYIW-AOIWGVFYSA-N 2 0 300.490 3.817 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001167834840 1024601605 /nfs/dbraw/zinc/60/16/05/1024601605.db2.gz NEBMKJLSPMLWGO-LPHOPBHVSA-N 2 0 322.468 3.789 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001167834842 1024603065 /nfs/dbraw/zinc/60/30/65/1024603065.db2.gz NEBMKJLSPMLWGO-VQIMIIECSA-N 2 0 322.468 3.789 20 0 DHADRP CCC[N@H+](CCc1ccccn1)[C@H](C)CCC[NH+](CC)CC ZINC001167838007 1024625529 /nfs/dbraw/zinc/62/55/29/1024625529.db2.gz OUCHGGFCABZDDT-GOSISDBHSA-N 2 0 305.510 3.847 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000648434894 1024636546 /nfs/dbraw/zinc/63/65/46/1024636546.db2.gz QWGQUXKVAKTEGT-IRXDYDNUSA-N 2 0 300.490 3.718 20 0 DHADRP CSc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000349128743 1024678790 /nfs/dbraw/zinc/67/87/90/1024678790.db2.gz KULQUEXLHWRQKK-KRWDZBQOSA-N 2 0 304.503 3.572 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666086371 1024681514 /nfs/dbraw/zinc/68/15/14/1024681514.db2.gz GCLSTZGQWNGMJT-GOEBONIOSA-N 2 0 306.881 3.519 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC001170193764 1024689162 /nfs/dbraw/zinc/68/91/62/1024689162.db2.gz FZNSDOGCLZEUDA-VQTJNVASSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001170255206 1024725078 /nfs/dbraw/zinc/72/50/78/1024725078.db2.gz CAQMARYSRQZHKC-AWEZNQCLSA-N 2 0 306.881 3.878 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000350185080 1024798874 /nfs/dbraw/zinc/79/88/74/1024798874.db2.gz SVVJYKNBSVGVSV-UHFFFAOYSA-N 2 0 321.515 3.645 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC1(F)F ZINC000666227312 1024810727 /nfs/dbraw/zinc/81/07/27/1024810727.db2.gz DYXWHRBSCSIKKD-FSUMODHMSA-N 2 0 320.427 3.815 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(F)F)cc1 ZINC000666228223 1024813085 /nfs/dbraw/zinc/81/30/85/1024813085.db2.gz OSBOQFIMXLHAMR-OZVIIMIRSA-N 2 0 305.372 3.875 20 0 DHADRP Cc1ccc(SC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000893654699 1024833976 /nfs/dbraw/zinc/83/39/76/1024833976.db2.gz HAITWJGOXXMEDM-XYTVBORESA-N 2 0 304.503 3.690 20 0 DHADRP CCCCCC[C@H](CCCC)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001172512352 1033241314 /nfs/dbraw/zinc/24/13/14/1033241314.db2.gz OMWMXHQOBJJPKH-IBGZPJMESA-N 2 0 311.558 3.695 20 0 DHADRP C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cc(Br)cs1 ZINC000226394443 1024883423 /nfs/dbraw/zinc/88/34/23/1024883423.db2.gz DBDBBARMTUWSFZ-VHSXEESVSA-N 2 0 305.285 3.501 20 0 DHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@H]2C1 ZINC001172549984 1033242904 /nfs/dbraw/zinc/24/29/04/1033242904.db2.gz SAEYBMLNPYELHZ-NCYKPQTJSA-N 2 0 312.501 3.986 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000162841875 1024902302 /nfs/dbraw/zinc/90/23/02/1024902302.db2.gz KMUPFGKPIIVQSE-IIAWOOMASA-N 2 0 310.507 3.597 20 0 DHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172549982 1033244395 /nfs/dbraw/zinc/24/43/95/1033244395.db2.gz SAEYBMLNPYELHZ-MXEMCNAFSA-N 2 0 312.501 3.986 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ncccc2C)CC1)CC1CC1 ZINC000538999811 1033245326 /nfs/dbraw/zinc/24/53/26/1033245326.db2.gz LPFJVTVSLCVEPR-UHFFFAOYSA-N 2 0 315.505 3.724 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000648490243 1025024999 /nfs/dbraw/zinc/02/49/99/1025024999.db2.gz OGODUEUBIQKCHJ-IRXDYDNUSA-N 2 0 300.490 3.860 20 0 DHADRP Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000120411179 1025030893 /nfs/dbraw/zinc/03/08/93/1025030893.db2.gz HTYHBHKUEQOFBQ-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179933 1025038911 /nfs/dbraw/zinc/03/89/11/1025038911.db2.gz ODTNXHCWCVUVFE-FPOVZHCZSA-N 2 0 308.469 3.902 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)N1CCC([N@H+](C)C2CC2)CC1 ZINC001168189252 1025048791 /nfs/dbraw/zinc/04/87/91/1025048791.db2.gz RHZJPPFDZWZEKB-CQSZACIVSA-N 2 0 306.881 3.830 20 0 DHADRP Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000353387966 1025051630 /nfs/dbraw/zinc/05/16/30/1025051630.db2.gz PBRFHADABHQZLL-OALUTQOASA-N 2 0 320.452 3.511 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC1(F)F ZINC000666444729 1025073538 /nfs/dbraw/zinc/07/35/38/1025073538.db2.gz JYXATLVOYJPUBI-PBHICJAKSA-N 2 0 308.416 3.806 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000793530742 1025107643 /nfs/dbraw/zinc/10/76/43/1025107643.db2.gz XLOGCAQIXZITTA-NEWSRXKRSA-N 2 0 316.489 3.554 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000400938505 1025176818 /nfs/dbraw/zinc/17/68/18/1025176818.db2.gz LBQAJBYVLXJCMY-VNHYZAJKSA-N 2 0 313.272 3.514 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCCc3ccc(C)cc32)CC[NH+](C)CC1 ZINC000353664375 1025186601 /nfs/dbraw/zinc/18/66/01/1025186601.db2.gz XCAOYCSCUZZJOU-GOSISDBHSA-N 2 0 318.530 3.789 20 0 DHADRP Cc1[nH]c(C2CCN(c3cc[nH+]c(C)c3Cl)CC2)[nH+]c1C ZINC000884707580 1025233118 /nfs/dbraw/zinc/23/31/18/1025233118.db2.gz RBCZBOYBFSSOIV-UHFFFAOYSA-N 2 0 304.825 3.767 20 0 DHADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539071939 1033268329 /nfs/dbraw/zinc/26/83/29/1033268329.db2.gz FWPQEHHLDKFDHL-ZSYWTGECSA-N 2 0 310.526 3.680 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000353753802 1025238602 /nfs/dbraw/zinc/23/86/02/1025238602.db2.gz PPNACUZIWYHIET-SUMWQHHRSA-N 2 0 304.409 3.734 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539073627 1033269007 /nfs/dbraw/zinc/26/90/07/1033269007.db2.gz NZXBOFSIRAGVOT-KSZLIROESA-N 2 0 318.505 3.789 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000044517319 1025255848 /nfs/dbraw/zinc/25/58/48/1025255848.db2.gz QLNVLPVCOMBNEJ-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]1 ZINC000666624562 1025296326 /nfs/dbraw/zinc/29/63/26/1025296326.db2.gz TYDLUSBGOOLBAH-JFIYKMOQSA-N 2 0 311.473 3.735 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccnn2C(C)C)c1 ZINC000279894818 1025305969 /nfs/dbraw/zinc/30/59/69/1025305969.db2.gz KWCDPXAWWGCGDG-UHFFFAOYSA-N 2 0 314.477 3.596 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000236796748 1025322336 /nfs/dbraw/zinc/32/23/36/1025322336.db2.gz MLDIDLJCZLWVBW-MSOLQXFVSA-N 2 0 308.510 3.578 20 0 DHADRP CC1CCC([N@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001168211913 1025324467 /nfs/dbraw/zinc/32/44/67/1025324467.db2.gz JYVIPMYSTFJXSP-JCYILVPMSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(C[NH+](C)C)c1 ZINC000925273519 1025328165 /nfs/dbraw/zinc/32/81/65/1025328165.db2.gz WDDKUSJGZXIQAW-AWEZNQCLSA-N 2 0 317.864 3.690 20 0 DHADRP CCSCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000282941538 1025369178 /nfs/dbraw/zinc/36/91/78/1025369178.db2.gz YVPAEFRJJLDADZ-LDLYASANSA-N 2 0 318.530 3.915 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000125428252 1025403044 /nfs/dbraw/zinc/40/30/44/1025403044.db2.gz HTEORMGJOOKKLX-CYBMUJFWSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000885924820 1025405023 /nfs/dbraw/zinc/40/50/23/1025405023.db2.gz VJUAXCYYZQLDFV-GJZGRUSLSA-N 2 0 309.885 3.583 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885924607 1025405458 /nfs/dbraw/zinc/40/54/58/1025405458.db2.gz RJSUJYDDWMUVFX-IBGZPJMESA-N 2 0 322.537 3.970 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000885923909 1025405724 /nfs/dbraw/zinc/40/57/24/1025405724.db2.gz DSNPXOAEJNHWDR-FCGDIQPGSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885922750 1025406159 /nfs/dbraw/zinc/40/61/59/1025406159.db2.gz GXGWCHOJDXJDMC-RTBURBONSA-N 2 0 322.537 3.970 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)C[NH+]1CCCCC1 ZINC000885927130 1025407587 /nfs/dbraw/zinc/40/75/87/1025407587.db2.gz NLQLOSVCETWJQC-QZTJIDSGSA-N 2 0 308.510 3.580 20 0 DHADRP Cc1coc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000885955985 1025416860 /nfs/dbraw/zinc/41/68/60/1025416860.db2.gz FCTMCYHLAPWXKP-UHFFFAOYSA-N 2 0 304.459 3.651 20 0 DHADRP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)sc1Br ZINC000925879293 1025421464 /nfs/dbraw/zinc/42/14/64/1025421464.db2.gz ASYYDHCFKFLNOA-AXFHLTTASA-N 2 0 317.296 3.597 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358251 1025433542 /nfs/dbraw/zinc/43/35/42/1025433542.db2.gz ZJYMKJSUMAAZJF-ZDUSSCGKSA-N 2 0 308.491 3.529 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888625 1025455984 /nfs/dbraw/zinc/45/59/84/1025455984.db2.gz WGAVVDWKSXGSRC-QILLFSRXSA-N 2 0 306.519 3.555 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000354581577 1025462267 /nfs/dbraw/zinc/46/22/67/1025462267.db2.gz QLASQYHHFRZFIC-MSOLQXFVSA-N 2 0 310.445 3.586 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccc1OC(C)C ZINC000125279056 1025462910 /nfs/dbraw/zinc/46/29/10/1025462910.db2.gz MFQQVSOBNBDFKC-HLLBOEOZSA-N 2 0 320.477 3.616 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000125573968 1025485245 /nfs/dbraw/zinc/48/52/45/1025485245.db2.gz VJEHUEPGKKBZPH-ZIAGYGMSSA-N 2 0 309.523 3.787 20 0 DHADRP Cc1nc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)sc1C ZINC000127677189 1025549477 /nfs/dbraw/zinc/54/94/77/1025549477.db2.gz REYVKMHPNGKGJL-UHFFFAOYSA-N 2 0 321.534 3.689 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000531716045 1025564382 /nfs/dbraw/zinc/56/43/82/1025564382.db2.gz UKTVZGJHEVTEMZ-PMACEKPBSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C(F)F)CC3)CC2)C1 ZINC000355173750 1025625798 /nfs/dbraw/zinc/62/57/98/1025625798.db2.gz YVSDCUCDTMRLOZ-HIFRSBDPSA-N 2 0 300.437 3.664 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886524556 1025676250 /nfs/dbraw/zinc/67/62/50/1025676250.db2.gz MJXMOFNGNAAVCQ-ACJLOTCBSA-N 2 0 315.436 3.616 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000886524622 1025676303 /nfs/dbraw/zinc/67/63/03/1025676303.db2.gz NPCNVKJRCLLTJE-SFHVURJKSA-N 2 0 315.436 3.616 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1 ZINC000886536165 1025683185 /nfs/dbraw/zinc/68/31/85/1025683185.db2.gz BXIHKOVFAFMEKA-IVMQYODDSA-N 2 0 301.478 3.572 20 0 DHADRP COCCC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCCC1 ZINC000886540353 1025687489 /nfs/dbraw/zinc/68/74/89/1025687489.db2.gz DDJGSVKOJVYYDO-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP CC(C)C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886580832 1025719229 /nfs/dbraw/zinc/71/92/29/1025719229.db2.gz ZUHAJLZYYPIDDU-KAXARAQCSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccncc1Br ZINC000132500571 1025743746 /nfs/dbraw/zinc/74/37/46/1025743746.db2.gz OYFLHDCAULERSG-GFCCVEGCSA-N 2 0 312.255 3.521 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000886623696 1025746185 /nfs/dbraw/zinc/74/61/85/1025746185.db2.gz LGBVNTPVEFSKOH-UHFFFAOYSA-N 2 0 300.437 3.809 20 0 DHADRP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000886625155 1025747257 /nfs/dbraw/zinc/74/72/57/1025747257.db2.gz KASUGNPKBAMCGY-NFOMZHRRSA-N 2 0 306.416 3.962 20 0 DHADRP C[C@H]1C[N@H+](CCc2c(Cl)cccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205981961 1025748480 /nfs/dbraw/zinc/74/84/80/1025748480.db2.gz KAKTYPWHTVFRSM-QWHCGFSZSA-N 2 0 315.288 3.843 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000886631697 1025751764 /nfs/dbraw/zinc/75/17/64/1025751764.db2.gz UIILQWJSFJNWAU-IOJLRTSASA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)[N@@H+]1CCc2nc(CN3CC[C@H](C)C(C)(C)C3)sc2C1 ZINC000355521367 1025752597 /nfs/dbraw/zinc/75/25/97/1025752597.db2.gz YYUHSLZRMUHWDQ-AWEZNQCLSA-N 2 0 321.534 3.778 20 0 DHADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000133645313 1025781160 /nfs/dbraw/zinc/78/11/60/1025781160.db2.gz GYOCYIGOEOZOJD-SJLPKXTDSA-N 2 0 301.478 3.714 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CC3(C)CC[NH+](C)CC3)s2)o1 ZINC000355760114 1025832730 /nfs/dbraw/zinc/83/27/30/1025832730.db2.gz AEQBWNUPENMGQD-UHFFFAOYSA-N 2 0 319.474 3.533 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000136598786 1025871558 /nfs/dbraw/zinc/87/15/58/1025871558.db2.gz YHUYIZODEPWQIX-ZIFCJYIRSA-N 2 0 309.457 3.643 20 0 DHADRP CCOC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411299892 1025929461 /nfs/dbraw/zinc/92/94/61/1025929461.db2.gz BCGQVDLKPHATDG-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(O)c1 ZINC000194881791 1025978884 /nfs/dbraw/zinc/97/88/84/1025978884.db2.gz SPOHWSQGJOUMEG-IEBWSBKVSA-N 2 0 324.468 3.607 20 0 DHADRP C[C@H]1C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000356297223 1026015658 /nfs/dbraw/zinc/01/56/58/1026015658.db2.gz BKAHWKMOKQMFBQ-PKOBYXMFSA-N 2 0 318.505 3.549 20 0 DHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc[nH]c1 ZINC000086255012 1026018289 /nfs/dbraw/zinc/01/82/89/1026018289.db2.gz XBDPFVJCIOWXQV-UHFFFAOYSA-N 2 0 309.413 3.530 20 0 DHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000089215525 1026038722 /nfs/dbraw/zinc/03/87/22/1026038722.db2.gz KUFRRPTVRMNYDC-CQSZACIVSA-N 2 0 301.459 3.710 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCCC2)cc1 ZINC000647789559 1026112483 /nfs/dbraw/zinc/11/24/83/1026112483.db2.gz HCTUWHVDROMZPX-GPMSIDNRSA-N 2 0 316.464 3.615 20 0 DHADRP COC1(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCC1 ZINC000429424283 1026113972 /nfs/dbraw/zinc/11/39/72/1026113972.db2.gz ZPGFEWZVPLISBF-ULQDDVLXSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]1C[C@@H](N(C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644308 1026119354 /nfs/dbraw/zinc/11/93/54/1026119354.db2.gz UBIQWMBIOBZLTQ-AAEUAGOBSA-N 2 0 318.358 3.759 20 0 DHADRP CCCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245674603 1026121775 /nfs/dbraw/zinc/12/17/75/1026121775.db2.gz HTPVCWSLNYIRRC-OWZKRDHZSA-N 2 0 316.489 3.588 20 0 DHADRP c1cc(-c2ccc3c(C4C[NH+](CC5CCC5)C4)ncn3c2)co1 ZINC001202740207 1026164241 /nfs/dbraw/zinc/16/42/41/1026164241.db2.gz XLOKQLGGEKOMEI-UHFFFAOYSA-N 2 0 307.397 3.794 20 0 DHADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122332212 1026181677 /nfs/dbraw/zinc/18/16/77/1026181677.db2.gz WTKBEKYRGLFEKN-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP Clc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCC2)cc1 ZINC000647792156 1026195551 /nfs/dbraw/zinc/19/55/51/1026195551.db2.gz UPJFNMCHFZRHFA-JJRVBVJISA-N 2 0 304.865 3.697 20 0 DHADRP CSC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245766617 1026204163 /nfs/dbraw/zinc/20/41/63/1026204163.db2.gz WMFGMMUJQZEASN-NNZMDNLPSA-N 2 0 318.530 3.913 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000052209494 1026260623 /nfs/dbraw/zinc/26/06/23/1026260623.db2.gz PUOZZAFZLHFGBH-UHFFFAOYSA-N 2 0 322.468 3.778 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000289985462 1026264768 /nfs/dbraw/zinc/26/47/68/1026264768.db2.gz YAKQOXOFJADZGV-LSDHHAIUSA-N 2 0 308.466 3.562 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1Cl ZINC000576436555 1026303108 /nfs/dbraw/zinc/30/31/08/1026303108.db2.gz UWMVSTGZRZEUTA-ZDUSSCGKSA-N 2 0 310.869 3.874 20 0 DHADRP CCCCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C(C)(C)C ZINC000808676282 1026353932 /nfs/dbraw/zinc/35/39/32/1026353932.db2.gz JXRMURDXAGKWGM-ZWKOTPCHSA-N 2 0 311.558 3.597 20 0 DHADRP CC(C)(CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001204727688 1026373552 /nfs/dbraw/zinc/37/35/52/1026373552.db2.gz KGNCQWCXXXZMEA-UHFFFAOYSA-N 2 0 300.490 3.820 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000513673683 1026556780 /nfs/dbraw/zinc/55/67/80/1026556780.db2.gz VTARHVZWEDCAFB-KURKYZTESA-N 2 0 304.503 3.550 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000513673685 1026557759 /nfs/dbraw/zinc/55/77/59/1026557759.db2.gz VTARHVZWEDCAFB-RCCFBDPRSA-N 2 0 304.503 3.550 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CCOc3ccccc32)cc1 ZINC000809739130 1026611421 /nfs/dbraw/zinc/61/14/21/1026611421.db2.gz YFUQLIRGAFPSEB-LJQANCHMSA-N 2 0 324.468 3.746 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCC=CO2)CC1)CC(C)C ZINC000809756147 1026619029 /nfs/dbraw/zinc/61/90/29/1026619029.db2.gz QDAPLMMSCMQAOO-IBGZPJMESA-N 2 0 308.510 3.759 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000280271374 1026623090 /nfs/dbraw/zinc/62/30/90/1026623090.db2.gz KTYYQTLHMTTYEN-HXUWFJFHSA-N 2 0 309.457 3.774 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccc(F)cc2)[C@@H]2CCC[C@@H]21 ZINC000513691822 1026634872 /nfs/dbraw/zinc/63/48/72/1026634872.db2.gz WJPPQTHGNYLKHV-BZSNNMDCSA-N 2 0 322.493 3.770 20 0 DHADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647886116 1026679890 /nfs/dbraw/zinc/67/98/90/1026679890.db2.gz UJZVTUCPPVPYNP-STQMWFEESA-N 2 0 300.368 3.698 20 0 DHADRP Cc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1C(F)(F)F ZINC000414450869 1026798203 /nfs/dbraw/zinc/79/82/03/1026798203.db2.gz HTTHACZYTHGMLR-INIZCTEOSA-N 2 0 312.379 3.541 20 0 DHADRP C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302727 1026800813 /nfs/dbraw/zinc/80/08/13/1026800813.db2.gz GLVYKRVCJIONFP-ZDUSSCGKSA-N 2 0 323.278 3.586 20 0 DHADRP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320356 1026802535 /nfs/dbraw/zinc/80/25/35/1026802535.db2.gz BJYFQJUDAVAAJQ-LPHOPBHVSA-N 2 0 316.489 3.558 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000420321328 1026803115 /nfs/dbraw/zinc/80/31/15/1026803115.db2.gz RGUQWRBBGHGSJM-WMLDXEAASA-N 2 0 316.420 3.570 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)CCC2 ZINC000420334184 1026806859 /nfs/dbraw/zinc/80/68/59/1026806859.db2.gz ITSREQHUQOJBFI-RBUKOAKNSA-N 2 0 302.437 3.667 20 0 DHADRP CC(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000420366460 1026808958 /nfs/dbraw/zinc/80/89/58/1026808958.db2.gz FWGYMENIJIAPIW-MJGOQNOKSA-N 2 0 315.505 3.807 20 0 DHADRP FC(F)(F)CC[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000420376326 1026810273 /nfs/dbraw/zinc/81/02/73/1026810273.db2.gz QKWJKRJWQNMHCQ-UHFFFAOYSA-N 2 0 314.395 3.831 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420393415 1026812833 /nfs/dbraw/zinc/81/28/33/1026812833.db2.gz QKQYXIVWGYGPPW-JEBQAFNWSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000261831871 1026903376 /nfs/dbraw/zinc/90/33/76/1026903376.db2.gz BOQTUKGTLCIMRC-HNNXBMFYSA-N 2 0 315.486 3.679 20 0 DHADRP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000513746328 1026950256 /nfs/dbraw/zinc/95/02/56/1026950256.db2.gz TZFHLDVEGBQXQP-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421368853 1026968083 /nfs/dbraw/zinc/96/80/83/1026968083.db2.gz GTOVPRIZGBVIMH-NFOMZHRRSA-N 2 0 310.432 3.748 20 0 DHADRP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000237203408 1026971675 /nfs/dbraw/zinc/97/16/75/1026971675.db2.gz BNRKBSZIQALGBI-NBVRZTHBSA-N 2 0 324.468 3.820 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421381948 1026973432 /nfs/dbraw/zinc/97/34/32/1026973432.db2.gz XPZOOWYEIXNPNG-SSZFMOIBSA-N 2 0 316.489 3.699 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCO1 ZINC000421385156 1026976730 /nfs/dbraw/zinc/97/67/30/1026976730.db2.gz NHMUNMYCKNBQKP-WZGPROSRSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000421387705 1026976825 /nfs/dbraw/zinc/97/68/25/1026976825.db2.gz PIWNGHDVMNGEHA-RTBURBONSA-N 2 0 318.505 3.692 20 0 DHADRP c1ccc2c(c1)CC(C[NH2+]C1CCC([NH+]3CCCCC3)CC1)C2 ZINC000811484235 1027008516 /nfs/dbraw/zinc/00/85/16/1027008516.db2.gz XCNPMXUSMJENFK-UHFFFAOYSA-N 2 0 312.501 3.788 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000421822438 1027057061 /nfs/dbraw/zinc/05/70/61/1027057061.db2.gz XACISUISHGPREK-KCXAZCMYSA-N 2 0 310.844 3.627 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CCCO2 ZINC000421875314 1027075982 /nfs/dbraw/zinc/07/59/82/1027075982.db2.gz JRPYIWWAXWTNCJ-FAFZWHIHSA-N 2 0 316.489 3.980 20 0 DHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000421848610 1027076918 /nfs/dbraw/zinc/07/69/18/1027076918.db2.gz AQDAGHPIIZICLC-ZDUSSCGKSA-N 2 0 322.880 3.874 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000271756131 1027136770 /nfs/dbraw/zinc/13/67/70/1027136770.db2.gz DOOYTABOTLZYEG-DFQSSKMNSA-N 2 0 316.489 3.618 20 0 DHADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000561955062 1027142030 /nfs/dbraw/zinc/14/20/30/1027142030.db2.gz OVOANQDZNMILJP-ICSRJNTNSA-N 2 0 302.506 3.823 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CCCC[NH+](C)C)oc21 ZINC000271837987 1027158393 /nfs/dbraw/zinc/15/83/93/1027158393.db2.gz GJNVVXKBFHAFJZ-AWEZNQCLSA-N 2 0 304.434 3.824 20 0 DHADRP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000571962274 1027160278 /nfs/dbraw/zinc/16/02/78/1027160278.db2.gz CJZGRPLSRQHVSX-SKINQDTJSA-N 2 0 320.521 3.865 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c2ccccc12 ZINC000271889232 1027173944 /nfs/dbraw/zinc/17/39/44/1027173944.db2.gz RNYUHVZJFJSXII-HNNXBMFYSA-N 2 0 310.441 3.761 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170664967 1027195735 /nfs/dbraw/zinc/19/57/35/1027195735.db2.gz KQKIYQOMLGKXMP-HNNXBMFYSA-N 2 0 322.443 3.802 20 0 DHADRP C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271987663 1027197024 /nfs/dbraw/zinc/19/70/24/1027197024.db2.gz LDODTYAMZUXAJY-QGZVFWFLSA-N 2 0 324.468 3.967 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000562047212 1027198583 /nfs/dbraw/zinc/19/85/83/1027198583.db2.gz IIUYJUDZGBRBOK-KBUPBQIOSA-N 2 0 306.416 3.675 20 0 DHADRP Fc1cc(F)c2c(c1)CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001170672171 1027229710 /nfs/dbraw/zinc/22/97/10/1027229710.db2.gz GRPHCYLXTUYUNS-KRWDZBQOSA-N 2 0 322.443 3.678 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000422563709 1027284946 /nfs/dbraw/zinc/28/49/46/1027284946.db2.gz UKSIZDHMGLVPKG-YCPHGPKFSA-N 2 0 315.486 3.615 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000422563345 1027286562 /nfs/dbraw/zinc/28/65/62/1027286562.db2.gz SQTCCHNLKZEUMG-JTDSTZFVSA-N 2 0 309.457 3.554 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422698265 1027297495 /nfs/dbraw/zinc/29/74/95/1027297495.db2.gz YKLVAMGDICPZLF-FPOVZHCZSA-N 2 0 322.452 3.649 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c21 ZINC000422711810 1027299040 /nfs/dbraw/zinc/29/90/40/1027299040.db2.gz HKNFNXTXVDWYOZ-KZNAEPCWSA-N 2 0 311.473 3.529 20 0 DHADRP CCc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)[NH+](C)C)cc1 ZINC000422734971 1027301826 /nfs/dbraw/zinc/30/18/26/1027301826.db2.gz VFRAYZZBQWXURU-ACRUOGEOSA-N 2 0 323.484 3.586 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)[C@H]1CCC[NH2+]C1 ZINC000422720354 1027303084 /nfs/dbraw/zinc/30/30/84/1027303084.db2.gz SISXORQNQIASFV-SLEUVZQESA-N 2 0 310.894 3.855 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422725976 1027308091 /nfs/dbraw/zinc/30/80/91/1027308091.db2.gz CWUZJVYGCRMMTQ-ABAIWWIYSA-N 2 0 301.261 3.514 20 0 DHADRP Cc1c2ccccc2oc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422748777 1027311494 /nfs/dbraw/zinc/31/14/94/1027311494.db2.gz WBQFWZMKZIBYRQ-ZDUSSCGKSA-N 2 0 309.413 3.754 20 0 DHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422769681 1027313582 /nfs/dbraw/zinc/31/35/82/1027313582.db2.gz WAJVWABBAYROTD-FVVUREQNSA-N 2 0 322.537 3.728 20 0 DHADRP c1ccc(C(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422768675 1027314319 /nfs/dbraw/zinc/31/43/19/1027314319.db2.gz ZMWPJGLBNHUYFP-YOFSQIOKSA-N 2 0 306.453 3.691 20 0 DHADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)s1 ZINC000422761766 1027315004 /nfs/dbraw/zinc/31/50/04/1027315004.db2.gz MEZGZOQXGGARNX-YPMHNXCESA-N 2 0 303.475 3.500 20 0 DHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422754854 1027316192 /nfs/dbraw/zinc/31/61/92/1027316192.db2.gz GGMZNSWVLAAXHF-NKGKWGDASA-N 2 0 302.462 3.562 20 0 DHADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422784110 1027318249 /nfs/dbraw/zinc/31/82/49/1027318249.db2.gz IBMPHMLPCYKZNN-AKHDSKFASA-N 2 0 316.489 3.663 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775261 1027320205 /nfs/dbraw/zinc/32/02/05/1027320205.db2.gz AWOCTEVTKJCNFH-USXIJHARSA-N 2 0 321.896 3.558 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422780223 1027320326 /nfs/dbraw/zinc/32/03/26/1027320326.db2.gz JXUCTLWYACZWGG-ZIAGYGMSSA-N 2 0 313.445 3.659 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798222 1027321089 /nfs/dbraw/zinc/32/10/89/1027321089.db2.gz QDVVCLBUGQGDAZ-LPMFXHHGSA-N 2 0 318.411 3.616 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422794772 1027323865 /nfs/dbraw/zinc/32/38/65/1027323865.db2.gz ZJAFASIVBIKHAA-GKCIPKSASA-N 2 0 310.441 3.751 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc(C2([NH3+])CC2)cc1 ZINC001170681028 1027324612 /nfs/dbraw/zinc/32/46/12/1027324612.db2.gz CBUWEIGOXOPSDI-AWEZNQCLSA-N 2 0 318.424 3.507 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000422799038 1027325383 /nfs/dbraw/zinc/32/53/83/1027325383.db2.gz UTNCZCDKOKTOIT-QSPRXWTASA-N 2 0 301.478 3.858 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC(F)(F)F)cc1 ZINC000422805270 1027326566 /nfs/dbraw/zinc/32/65/66/1027326566.db2.gz JCVUHMSUVBOHJC-RAQOOLMWSA-N 2 0 314.351 3.519 20 0 DHADRP c1cncc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422801625 1027327738 /nfs/dbraw/zinc/32/77/38/1027327738.db2.gz CFDHZOQFTQJPRZ-PCCBWWKXSA-N 2 0 321.468 3.759 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422832943 1027336010 /nfs/dbraw/zinc/33/60/10/1027336010.db2.gz LUYTUUPGDPDXIP-LWYYNNOASA-N 2 0 315.505 3.722 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422832944 1027336475 /nfs/dbraw/zinc/33/64/75/1027336475.db2.gz LUYTUUPGDPDXIP-VNTMZGSJSA-N 2 0 315.505 3.722 20 0 DHADRP CCO[C@H](CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C1CCCC1 ZINC000422817429 1027339741 /nfs/dbraw/zinc/33/97/41/1027339741.db2.gz CYPJHGYRHPXNSD-FFZOFVMBSA-N 2 0 318.505 3.520 20 0 DHADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422839245 1027340108 /nfs/dbraw/zinc/34/01/08/1027340108.db2.gz QCCDPVJELSIGNG-NCXUSEDFSA-N 2 0 316.514 3.527 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422853500 1027341968 /nfs/dbraw/zinc/34/19/68/1027341968.db2.gz CCJJBSJQZOTZQJ-QZTJIDSGSA-N 3 0 317.521 3.526 20 0 DHADRP COc1ccc(C2(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCCCC2)cc1 ZINC000422896583 1027353514 /nfs/dbraw/zinc/35/35/14/1027353514.db2.gz AMWKCPXMJWPIHS-HOTGVXAUSA-N 2 0 304.478 3.613 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422870377 1027354539 /nfs/dbraw/zinc/35/45/39/1027354539.db2.gz YRCCWSWWFSNIQS-NHCUHLMSSA-N 2 0 324.468 3.620 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422908439 1027357087 /nfs/dbraw/zinc/35/70/87/1027357087.db2.gz YPDAEUZGUCAZTM-JQWIXIFHSA-N 2 0 309.866 3.557 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422913938 1027358548 /nfs/dbraw/zinc/35/85/48/1027358548.db2.gz ZNPWPETXLNCMBQ-VXGBXAGGSA-N 2 0 302.384 3.698 20 0 DHADRP CC(C)C[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422907222 1027360020 /nfs/dbraw/zinc/36/00/20/1027360020.db2.gz LCRNAVMVQAJMRB-WBMJQRKESA-N 2 0 314.395 3.990 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422926071 1027360682 /nfs/dbraw/zinc/36/06/82/1027360682.db2.gz WCZGBGZDSRBYRJ-MUIFIZLQSA-N 2 0 322.880 3.618 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000422922545 1027360850 /nfs/dbraw/zinc/36/08/50/1027360850.db2.gz TYCQBNMFTIJZCM-BSDSXHPESA-N 2 0 322.880 3.538 20 0 DHADRP C[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C)C1C[NH2+]C1 ZINC000422922826 1027362281 /nfs/dbraw/zinc/36/22/81/1027362281.db2.gz QUPLNMKRMZKFJB-IAQYHMDHSA-N 2 0 314.395 3.990 20 0 DHADRP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422922399 1027362465 /nfs/dbraw/zinc/36/24/65/1027362465.db2.gz QFUQYEHXCHEDIS-JFWOVWLOSA-N 2 0 304.865 3.910 20 0 DHADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422923151 1027363381 /nfs/dbraw/zinc/36/33/81/1027363381.db2.gz RHBTWCXSLFCIAV-GBESFXJTSA-N 2 0 312.457 3.876 20 0 DHADRP C[C@H]([NH2+][C@H](CCCc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422931017 1027364700 /nfs/dbraw/zinc/36/47/00/1027364700.db2.gz WNNCQZFTMFTIEZ-LAUBAEHRSA-N 2 0 308.469 3.948 20 0 DHADRP COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422943142 1027368848 /nfs/dbraw/zinc/36/88/48/1027368848.db2.gz KFDSVMQXAUDSBZ-HRCADAONSA-N 2 0 322.518 3.544 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422941632 1027370200 /nfs/dbraw/zinc/37/02/00/1027370200.db2.gz JVEDOVHOVWXKDI-IRXDYDNUSA-N 2 0 312.457 3.524 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422939235 1027370490 /nfs/dbraw/zinc/37/04/90/1027370490.db2.gz IAJOFHUUFBTPDI-JSGCOSHPSA-N 2 0 301.261 3.643 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422937767 1027370548 /nfs/dbraw/zinc/37/05/48/1027370548.db2.gz ORRILXPJZRJLBR-STQMWFEESA-N 2 0 303.475 3.897 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422967944 1027372604 /nfs/dbraw/zinc/37/26/04/1027372604.db2.gz PWUORPXHFDYQCG-GOSISDBHSA-N 3 0 317.521 3.526 20 0 DHADRP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422946823 1027376394 /nfs/dbraw/zinc/37/63/94/1027376394.db2.gz PIIXESSOHBWYSN-IXDOHACOSA-N 2 0 324.415 3.688 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000422950939 1027378807 /nfs/dbraw/zinc/37/88/07/1027378807.db2.gz XDWVYBLFZAQPCA-OOHWJJMZSA-N 2 0 320.477 3.795 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423019041 1027390539 /nfs/dbraw/zinc/39/05/39/1027390539.db2.gz SYOGHMASEOHHOY-KGLIPLIRSA-N 2 0 319.301 3.696 20 0 DHADRP COc1cccc(C(C)(C)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423006495 1027390883 /nfs/dbraw/zinc/39/08/83/1027390883.db2.gz VMUQPJRBQIZLNO-MOPGFXCFSA-N 2 0 310.441 3.707 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423020467 1027393992 /nfs/dbraw/zinc/39/39/92/1027393992.db2.gz BOJACNCSOMAFGY-VXGBXAGGSA-N 2 0 300.368 3.539 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000574440817 1027395787 /nfs/dbraw/zinc/39/57/87/1027395787.db2.gz CUWZNXMESPAKGJ-FQEVSTJZSA-N 2 0 312.457 3.568 20 0 DHADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1F ZINC000423054609 1027405091 /nfs/dbraw/zinc/40/50/91/1027405091.db2.gz VBTKQDMZWDLOSJ-FUNVUKJBSA-N 2 0 310.844 3.629 20 0 DHADRP CC(C)c1ccc(CC2CC[NH+]([C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000423051532 1027406702 /nfs/dbraw/zinc/40/67/02/1027406702.db2.gz OFRFBROUKDAVMQ-INIZCTEOSA-N 2 0 300.490 3.672 20 0 DHADRP CC(C)c1ccc(CC2CC[NH+]([C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000423051533 1027407709 /nfs/dbraw/zinc/40/77/09/1027407709.db2.gz OFRFBROUKDAVMQ-MRXNPFEDSA-N 2 0 300.490 3.672 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c2ccccc21 ZINC000423088013 1027409884 /nfs/dbraw/zinc/40/98/84/1027409884.db2.gz QVENMKOBZVAJFE-ZLGUVYLKSA-N 2 0 321.468 3.637 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423080684 1027410162 /nfs/dbraw/zinc/41/01/62/1027410162.db2.gz ZVOMUMDISXSOGH-VAMGGRTRSA-N 2 0 315.505 3.909 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423080473 1027410620 /nfs/dbraw/zinc/41/06/20/1027410620.db2.gz AHCAOLISUQWPCP-HKUYMTLNSA-N 2 0 316.464 3.972 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000648406798 1027411396 /nfs/dbraw/zinc/41/13/96/1027411396.db2.gz LGNAPDPWUYXMEF-UXHICEINSA-N 2 0 316.489 3.720 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423087534 1027411733 /nfs/dbraw/zinc/41/17/33/1027411733.db2.gz PRIAEHVCQITWNO-KANFNMMFSA-N 2 0 302.437 3.713 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000423085067 1027412031 /nfs/dbraw/zinc/41/20/31/1027412031.db2.gz JFRBTRYHCNTUGK-GUDVDZBRSA-N 2 0 316.489 3.583 20 0 DHADRP CSc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423096455 1027413925 /nfs/dbraw/zinc/41/39/25/1027413925.db2.gz OVZWHECFNIOCND-IPMKNSEASA-N 2 0 318.530 3.851 20 0 DHADRP Cc1c2cc(Cl)ccc2sc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423095995 1027414981 /nfs/dbraw/zinc/41/49/81/1027414981.db2.gz GUTJJVMOIUWNAR-NWDGAFQWSA-N 2 0 308.878 3.951 20 0 DHADRP [NH3+]CC1CCC([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000423094709 1027414520 /nfs/dbraw/zinc/41/45/20/1027414520.db2.gz KOTWQNAVMVRHCD-UHFFFAOYSA-N 2 0 310.844 3.774 20 0 DHADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423091086 1027414547 /nfs/dbraw/zinc/41/45/47/1027414547.db2.gz ZFHLZDRDQSXAIV-DUXKGJEZSA-N 2 0 324.468 3.759 20 0 DHADRP Cc1c2cc(Cl)ccc2sc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423095997 1027415101 /nfs/dbraw/zinc/41/51/01/1027415101.db2.gz GUTJJVMOIUWNAR-VXGBXAGGSA-N 2 0 308.878 3.951 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c2ccccc21 ZINC000423093796 1027415190 /nfs/dbraw/zinc/41/51/90/1027415190.db2.gz IMCRUZBQVSQJPD-IHUDTTQWSA-N 2 0 314.379 3.945 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423098535 1027415449 /nfs/dbraw/zinc/41/54/49/1027415449.db2.gz SCQIUBXCDNWTQZ-XBOHUIDSSA-N 2 0 310.844 3.645 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423075833 1027418017 /nfs/dbraw/zinc/41/80/17/1027418017.db2.gz PLSYPQRHCNTKNM-XDKFSHSGSA-N 2 0 322.880 3.618 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423100072 1027418224 /nfs/dbraw/zinc/41/82/24/1027418224.db2.gz GDZPKWKHFFTMBD-JQHSSLGASA-N 2 0 322.880 3.525 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000423122347 1027420558 /nfs/dbraw/zinc/42/05/58/1027420558.db2.gz KJTZZGWXCZXUMM-XFWGSAIBSA-N 2 0 308.425 3.641 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423126927 1027420595 /nfs/dbraw/zinc/42/05/95/1027420595.db2.gz BGAUTQCLPNENBS-XHSDSOJGSA-N 2 0 314.395 3.972 20 0 DHADRP [NH3+]CC1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCC2)CC1 ZINC000423127675 1027421857 /nfs/dbraw/zinc/42/18/57/1027421857.db2.gz JWUQCHWDCKKBIO-UHFFFAOYSA-N 2 0 306.881 3.912 20 0 DHADRP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)c1cccc(O)c1 ZINC000574763025 1027426265 /nfs/dbraw/zinc/42/62/65/1027426265.db2.gz GNIMDMSWWIPFLR-HNNXBMFYSA-N 2 0 310.441 3.621 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000423111954 1027429065 /nfs/dbraw/zinc/42/90/65/1027429065.db2.gz RJFJTAYCYLQGFA-HZSPNIEDSA-N 2 0 304.400 3.619 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113862 1027429367 /nfs/dbraw/zinc/42/93/67/1027429367.db2.gz ZKOKYDOHEGLLDW-UONOGXRCSA-N 2 0 300.899 3.974 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000423151532 1027431646 /nfs/dbraw/zinc/43/16/46/1027431646.db2.gz COCFHDCDTNROSI-DLBZAZTESA-N 2 0 320.795 3.592 20 0 DHADRP COCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423153342 1027432551 /nfs/dbraw/zinc/43/25/51/1027432551.db2.gz NEKJZHRBBNLWPS-SWLSCSKDSA-N 2 0 318.383 3.500 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423136176 1027434000 /nfs/dbraw/zinc/43/40/00/1027434000.db2.gz USZPLYYEXVBILC-NDXORKPFSA-N 2 0 308.469 3.728 20 0 DHADRP C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423135897 1027435043 /nfs/dbraw/zinc/43/50/43/1027435043.db2.gz ONSBMJQXBJIBIF-BPUTZDHNSA-N 2 0 314.395 3.843 20 0 DHADRP CC[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423140665 1027435318 /nfs/dbraw/zinc/43/53/18/1027435318.db2.gz ZBFZXMXJGGFEEY-PMPSAXMXSA-N 2 0 314.395 3.843 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423186261 1027439035 /nfs/dbraw/zinc/43/90/35/1027439035.db2.gz OEOGQSPLXHXYNJ-DILOTOHQSA-N 2 0 308.425 3.533 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000423179564 1027442804 /nfs/dbraw/zinc/44/28/04/1027442804.db2.gz HLEHUXXZAXAOHF-HNNXBMFYSA-N 2 0 323.278 3.513 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423198054 1027453718 /nfs/dbraw/zinc/45/37/18/1027453718.db2.gz CRIAHDCDYSIIOR-UKRRQHHQSA-N 2 0 300.368 3.541 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423202259 1027456125 /nfs/dbraw/zinc/45/61/25/1027456125.db2.gz QMMBCFKSSXUVEI-CABCVRRESA-N 2 0 300.368 3.541 20 0 DHADRP C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423240601 1027459997 /nfs/dbraw/zinc/45/99/97/1027459997.db2.gz KSPXCLIHZDCONF-LRDDRELGSA-N 2 0 306.356 3.639 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423222298 1027462430 /nfs/dbraw/zinc/46/24/30/1027462430.db2.gz ANEUGXUMRLDBLS-SCLBCKFNSA-N 2 0 304.384 3.576 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423226733 1027465286 /nfs/dbraw/zinc/46/52/86/1027465286.db2.gz RZIOTJHVYDWLRP-WDEREUQCSA-N 2 0 306.397 3.729 20 0 DHADRP CC[NH2+]CCCN[C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000575242518 1027467269 /nfs/dbraw/zinc/46/72/69/1027467269.db2.gz HYPZRYSZVRDLOP-AWEZNQCLSA-N 2 0 317.502 3.693 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423250467 1027476321 /nfs/dbraw/zinc/47/63/21/1027476321.db2.gz QHLSIQAZMPAPJO-HNAYVOBHSA-N 2 0 302.462 3.516 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cccc(Br)c21 ZINC000423253163 1027477785 /nfs/dbraw/zinc/47/77/85/1027477785.db2.gz VLJHPYVEUJWZJV-TYNCELHUSA-N 2 0 323.278 3.587 20 0 DHADRP COc1ccc2c(c1)[C@@H](N[C@H](C[NH3+])C1CCCCC1)CCS2 ZINC000423260703 1027478771 /nfs/dbraw/zinc/47/87/71/1027478771.db2.gz IDVQCSIJABEZCJ-DLBZAZTESA-N 2 0 320.502 3.729 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000423281274 1027480165 /nfs/dbraw/zinc/48/01/65/1027480165.db2.gz UBXOHHCMHVZLKQ-BMIGLBTASA-N 2 0 319.449 3.646 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C12CCCC2 ZINC000423291146 1027485911 /nfs/dbraw/zinc/48/59/11/1027485911.db2.gz HABBCHHLBGQHAZ-JCGIZDLHSA-N 2 0 302.462 3.534 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423289165 1027486499 /nfs/dbraw/zinc/48/64/99/1027486499.db2.gz AMYVKRMWJPWIPE-JLTOFOAXSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000423292008 1027486712 /nfs/dbraw/zinc/48/67/12/1027486712.db2.gz KXZLGDRHVIBVJU-FZKQIMNGSA-N 2 0 314.404 3.849 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000423291185 1027486972 /nfs/dbraw/zinc/48/69/72/1027486972.db2.gz HECBZNWWEKDMQT-SCLBCKFNSA-N 2 0 314.404 3.849 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000423292428 1027487212 /nfs/dbraw/zinc/48/72/12/1027487212.db2.gz MYJHCFYWGPLKIM-RYUDHWBXSA-N 2 0 303.475 3.884 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423293206 1027488814 /nfs/dbraw/zinc/48/88/14/1027488814.db2.gz QGTGXSVYSUNFPH-DOMZBBRYSA-N 2 0 315.486 3.892 20 0 DHADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423271339 1027489178 /nfs/dbraw/zinc/48/91/78/1027489178.db2.gz IYMAZMHOMILYEA-PBHICJAKSA-N 2 0 301.478 3.797 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423293207 1027490148 /nfs/dbraw/zinc/49/01/48/1027490148.db2.gz QGTGXSVYSUNFPH-IUODEOHRSA-N 2 0 315.486 3.892 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423272637 1027490369 /nfs/dbraw/zinc/49/03/69/1027490369.db2.gz JZGLLEZJFZBZTE-CWRNSKLLSA-N 2 0 314.395 3.914 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423280571 1027492590 /nfs/dbraw/zinc/49/25/90/1027492590.db2.gz UREGCIYKLPRAIJ-UKRRQHHQSA-N 2 0 315.486 3.633 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000423274333 1027493944 /nfs/dbraw/zinc/49/39/44/1027493944.db2.gz LZKKSHKRWZYDFC-CHWSQXEVSA-N 2 0 303.475 3.625 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423317673 1027500875 /nfs/dbraw/zinc/50/08/75/1027500875.db2.gz CWQIZXQITCSFPM-GFCCVEGCSA-N 2 0 303.233 3.536 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423301770 1027501856 /nfs/dbraw/zinc/50/18/56/1027501856.db2.gz GJLASLTZOCEDSP-SJKOYZFVSA-N 2 0 306.812 3.753 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000423296751 1027502300 /nfs/dbraw/zinc/50/23/00/1027502300.db2.gz ZQYGKLDNEZTFKF-BONVTDFDSA-N 2 0 320.358 3.901 20 0 DHADRP CCCC[C@H](CN)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423300429 1027503834 /nfs/dbraw/zinc/50/38/34/1027503834.db2.gz ROTRTQOUTAORHS-IOJLRTSASA-N 2 0 317.521 3.537 20 0 DHADRP CC1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423322957 1027506984 /nfs/dbraw/zinc/50/69/84/1027506984.db2.gz HRFJXEOIHHFQIS-HNNXBMFYSA-N 2 0 308.853 3.533 20 0 DHADRP CCCCCOc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423344398 1027507235 /nfs/dbraw/zinc/50/72/35/1027507235.db2.gz MTJISPWBGURIBL-MRXNPFEDSA-N 2 0 302.462 3.826 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)c(C)c2c1 ZINC000423324650 1027511283 /nfs/dbraw/zinc/51/12/83/1027511283.db2.gz IUOXZZGLHXKDDR-IFXJQAMLSA-N 2 0 316.445 3.790 20 0 DHADRP CC1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423335372 1027513692 /nfs/dbraw/zinc/51/36/92/1027513692.db2.gz RTDCDSMGOBQFAO-LJQANCHMSA-N 2 0 312.432 3.894 20 0 DHADRP [NH3+]C1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000423338288 1027515020 /nfs/dbraw/zinc/51/50/20/1027515020.db2.gz WAGCOCDHVMZAFA-HIFRSBDPSA-N 2 0 312.379 3.813 20 0 DHADRP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000296038036 1027524081 /nfs/dbraw/zinc/52/40/81/1027524081.db2.gz NUBCSJQYIJLTPH-IYOUNJFTSA-N 2 0 306.400 3.559 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000423366278 1027524077 /nfs/dbraw/zinc/52/40/77/1027524077.db2.gz CJRLDJJKPNIIMW-KBEGMRNHSA-N 2 0 320.452 3.591 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423391830 1027532208 /nfs/dbraw/zinc/53/22/08/1027532208.db2.gz PUYWKVYPDSHHBM-LVXYXVKQSA-N 2 0 322.452 3.580 20 0 DHADRP COCC1(C[NH2+][C@@H](C)c2cccc(CC(C)C)c2)CC[NH2+]CC1 ZINC000423412937 1027541612 /nfs/dbraw/zinc/54/16/12/1027541612.db2.gz XRICKNWULDMWLO-KRWDZBQOSA-N 2 0 318.505 3.552 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423448491 1027543253 /nfs/dbraw/zinc/54/32/53/1027543253.db2.gz FHMYUQWDBVFSMG-KXBFYZLASA-N 2 0 300.421 3.827 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423452595 1027547126 /nfs/dbraw/zinc/54/71/26/1027547126.db2.gz JWQPDXXUMCXBHI-NHYWBVRUSA-N 2 0 311.267 3.544 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1SC ZINC000296116333 1027547209 /nfs/dbraw/zinc/54/72/09/1027547209.db2.gz ZTRNRPUZJLAPGA-OHRKKDJYSA-N 2 0 320.502 3.693 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423453579 1027547526 /nfs/dbraw/zinc/54/75/26/1027547526.db2.gz ARXQVZUVVYCCRS-SCRDCRAPSA-N 2 0 316.367 3.753 20 0 DHADRP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423470310 1027557426 /nfs/dbraw/zinc/55/74/26/1027557426.db2.gz DCUICFPLIKLYAE-GOEBONIOSA-N 2 0 310.869 3.922 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1nc(-c2ccccc2)cs1 ZINC000423473300 1027561914 /nfs/dbraw/zinc/56/19/14/1027561914.db2.gz GRVRVCGYWHIZLW-HOCLYGCPSA-N 2 0 315.486 3.993 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000423484828 1027571716 /nfs/dbraw/zinc/57/17/16/1027571716.db2.gz AISVMZUFVLHFQX-UMNHJUIQSA-N 2 0 318.795 3.719 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000423485640 1027572016 /nfs/dbraw/zinc/57/20/16/1027572016.db2.gz VKEQPKKPTSSMRM-UTKZUKDTSA-N 2 0 323.484 3.577 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423495815 1027572958 /nfs/dbraw/zinc/57/29/58/1027572958.db2.gz CRNJCUHHLZBMFN-UXHICEINSA-N 2 0 310.441 3.752 20 0 DHADRP c1ccc(C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423542346 1027583012 /nfs/dbraw/zinc/58/30/12/1027583012.db2.gz TVXLSVGWMSVYKI-OAQYLSRUSA-N 2 0 306.453 3.870 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423537549 1027583240 /nfs/dbraw/zinc/58/32/40/1027583240.db2.gz DBHZINGIWXKOFR-NLDJYOPPSA-N 2 0 323.484 3.831 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423539252 1027584593 /nfs/dbraw/zinc/58/45/93/1027584593.db2.gz IAGAVRMKASXDPQ-AEIBSFOJSA-N 2 0 318.892 3.954 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541986 1027584933 /nfs/dbraw/zinc/58/49/33/1027584933.db2.gz SOBCXRQWTKXMBZ-LBPRGKRZSA-N 2 0 307.507 3.709 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(F)ccc1F ZINC000423555587 1027587355 /nfs/dbraw/zinc/58/73/55/1027587355.db2.gz YCCCGOPNWMCDDI-OJIVJNGMSA-N 2 0 308.416 3.640 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000423573152 1027589768 /nfs/dbraw/zinc/58/97/68/1027589768.db2.gz YYQWTGYNSKYBSB-GFCCVEGCSA-N 2 0 314.351 3.546 20 0 DHADRP C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(C[NH+](C)C)c1 ZINC000924966368 1027637759 /nfs/dbraw/zinc/63/77/59/1027637759.db2.gz DPIIKHHIRYCOLK-LIRRHRJNSA-N 2 0 310.441 3.792 20 0 DHADRP Cc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000576742249 1027654446 /nfs/dbraw/zinc/65/44/46/1027654446.db2.gz FYFZEKNQYMHMCO-QGZVFWFLSA-N 2 0 306.881 3.812 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cn2ccccc2n1 ZINC000576887055 1027675875 /nfs/dbraw/zinc/67/58/75/1027675875.db2.gz QNLYQXAYTIUKEF-QGZVFWFLSA-N 2 0 314.477 3.641 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000577004921 1027692558 /nfs/dbraw/zinc/69/25/58/1027692558.db2.gz OHJPXKIUZLRFFU-KGLIPLIRSA-N 2 0 308.416 3.636 20 0 DHADRP CCCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000577120987 1027711027 /nfs/dbraw/zinc/71/10/27/1027711027.db2.gz MVHITCDZNKYMPM-UHFFFAOYSA-N 2 0 316.489 3.748 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C[C@@H]21 ZINC001170716445 1027784661 /nfs/dbraw/zinc/78/46/61/1027784661.db2.gz UEDIMXVRPIRGJB-HQZQWKOLSA-N 2 0 324.512 3.921 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC000814178165 1027915331 /nfs/dbraw/zinc/91/53/31/1027915331.db2.gz FCDJOTSPHYVDSE-NRFANRHFSA-N 2 0 306.453 3.881 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC12CC2 ZINC000527867806 1027926091 /nfs/dbraw/zinc/92/60/91/1027926091.db2.gz YFDFTHYRHRINII-MNIJEXPFSA-N 2 0 310.485 3.960 20 0 DHADRP CC[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000527896255 1027945364 /nfs/dbraw/zinc/94/53/64/1027945364.db2.gz LFRVZWZYLOSGJH-LJQANCHMSA-N 2 0 300.490 3.862 20 0 DHADRP COCCC1CC[NH+](C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000527937422 1027972531 /nfs/dbraw/zinc/97/25/31/1027972531.db2.gz URQMHBPHXFONQP-FXAWDEMLSA-N 2 0 322.537 3.778 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OCC ZINC000527931695 1027989251 /nfs/dbraw/zinc/98/92/51/1027989251.db2.gz NCLSJVWWEQDCSV-NZSAHSFTSA-N 2 0 310.526 3.824 20 0 DHADRP COCCC1CC[NH+](C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000527936258 1027996833 /nfs/dbraw/zinc/99/68/33/1027996833.db2.gz PPAKSZKDQGDAMT-XLIONFOSSA-N 2 0 322.537 3.778 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)CCC2 ZINC000366492126 1028088607 /nfs/dbraw/zinc/08/86/07/1028088607.db2.gz UKIHJIYIKVJTML-ZWKOTPCHSA-N 2 0 310.445 3.595 20 0 DHADRP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4C[C@@H]5[C@H](C4)C5(C)C)C[C@@H]3C2)cc1 ZINC001170752426 1028105567 /nfs/dbraw/zinc/10/55/67/1028105567.db2.gz IVAJLQXVSNLVHV-UZFIKNKDSA-N 2 0 324.512 3.793 20 0 DHADRP COCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000367035716 1028124207 /nfs/dbraw/zinc/12/42/07/1028124207.db2.gz KKUNEUBHWUZYKL-QRVBRYPASA-N 2 0 320.452 3.510 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000367058884 1028130528 /nfs/dbraw/zinc/13/05/28/1028130528.db2.gz YWXYDWKTYJUJCA-MSOLQXFVSA-N 2 0 308.510 3.580 20 0 DHADRP COc1cc([C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1F ZINC000367358071 1028172996 /nfs/dbraw/zinc/17/29/96/1028172996.db2.gz YYNRJNBDIURCFV-HNNXBMFYSA-N 2 0 320.452 3.703 20 0 DHADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170760288 1028184248 /nfs/dbraw/zinc/18/42/48/1028184248.db2.gz HYHLWQIWRJMOTL-WTGUMLROSA-N 2 0 312.501 3.875 20 0 DHADRP COCCCC[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000117879663 1028191154 /nfs/dbraw/zinc/19/11/54/1028191154.db2.gz VQMCNIHILMVQFU-UHFFFAOYSA-N 2 0 318.505 3.647 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2cc(F)cc(F)c2)C[C@H]1C ZINC000449031147 1028273309 /nfs/dbraw/zinc/27/33/09/1028273309.db2.gz UMNZYPJTWOGBHQ-LBTNJELSSA-N 2 0 310.432 3.873 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c(OC)cccc23)C1 ZINC000449038371 1028281508 /nfs/dbraw/zinc/28/15/08/1028281508.db2.gz UDDFESFXOOQKCH-INIZCTEOSA-N 2 0 312.457 3.622 20 0 DHADRP C[NH+](C)C(C)(C)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449063426 1028300994 /nfs/dbraw/zinc/30/09/94/1028300994.db2.gz MQNACKSUKYAKKI-UHFFFAOYSA-N 2 0 311.558 3.595 20 0 DHADRP C[N@H+](C[C@@H]1CC12CC[NH+]([C@@H]1C[C@@H]1c1ccccc1)CC2)C1CC1 ZINC000368262500 1028324347 /nfs/dbraw/zinc/32/43/47/1028324347.db2.gz YCGUQKNLNQBQGQ-DFQSSKMNSA-N 2 0 310.485 3.739 20 0 DHADRP CN1CC[C@@H](C[N@H+](C)[C@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccnc1 ZINC000368262618 1028325974 /nfs/dbraw/zinc/32/59/74/1028325974.db2.gz ZLJCVMQNGKGVKJ-TUFLPTIASA-N 2 0 321.468 3.562 20 0 DHADRP COc1cccc2c(C[NH2+]C3CC[NH+](C(C)C)CC3)cccc12 ZINC000449067761 1028331424 /nfs/dbraw/zinc/33/14/24/1028331424.db2.gz OBEONGHLUCKGJA-UHFFFAOYSA-N 2 0 312.457 3.811 20 0 DHADRP CCC(CC)[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[NH+]1CCCC1 ZINC000449073440 1028338622 /nfs/dbraw/zinc/33/86/22/1028338622.db2.gz NBNZINPNURHVMI-ZWKOTPCHSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000449098387 1028352150 /nfs/dbraw/zinc/35/21/50/1028352150.db2.gz JDCXMAOMYZCNIP-IBGZPJMESA-N 2 0 316.489 3.718 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000579220725 1028354214 /nfs/dbraw/zinc/35/42/14/1028354214.db2.gz XBWCFPYLIPNRDT-OAHLLOKOSA-N 2 0 312.910 3.800 20 0 DHADRP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[NH+](C)C ZINC000449107506 1028357206 /nfs/dbraw/zinc/35/72/06/1028357206.db2.gz QAGZONAMNMTYKB-LBPRGKRZSA-N 2 0 319.276 3.692 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000449092570 1028365416 /nfs/dbraw/zinc/36/54/16/1028365416.db2.gz UOGQVUQXYXBNEN-MRXNPFEDSA-N 2 0 300.446 3.842 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000579286559 1028369777 /nfs/dbraw/zinc/36/97/77/1028369777.db2.gz MPHGOGOWBFONAN-FDYSRKEFSA-N 2 0 300.490 3.892 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CC(c3ccccn3)C2)c1 ZINC000368566420 1028373385 /nfs/dbraw/zinc/37/33/85/1028373385.db2.gz IKDVDFJMPKNXCN-UHFFFAOYSA-N 2 0 309.457 3.569 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579298958 1028375135 /nfs/dbraw/zinc/37/51/35/1028375135.db2.gz AUYLQZHUFKMPIV-UHFFFAOYSA-N 2 0 302.506 3.989 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)sc2C1 ZINC000368617827 1028383408 /nfs/dbraw/zinc/38/34/08/1028383408.db2.gz SOAYTQJUDIPXPN-ZBFHGGJFSA-N 2 0 319.518 3.674 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000579409118 1028404544 /nfs/dbraw/zinc/40/45/44/1028404544.db2.gz DECVUNARFRYXOY-OAHLLOKOSA-N 2 0 310.844 3.643 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@]2(C)CO)CC1 ZINC000449172532 1028414875 /nfs/dbraw/zinc/41/48/75/1028414875.db2.gz JRYYDYVBGAFJOK-XLIONFOSSA-N 2 0 324.553 3.806 20 0 DHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000369112485 1028445674 /nfs/dbraw/zinc/44/56/74/1028445674.db2.gz LYWSLUYYSYEAOK-XLIONFOSSA-N 2 0 313.489 3.572 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc3ccoc32)cc1F ZINC000449200670 1028454771 /nfs/dbraw/zinc/45/47/71/1028454771.db2.gz FCASTMULDAOXQF-UHFFFAOYSA-N 2 0 312.388 3.923 20 0 DHADRP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000449232889 1028472655 /nfs/dbraw/zinc/47/26/55/1028472655.db2.gz JOQBGKAGSDUCHD-MJGOQNOKSA-N 2 0 300.490 3.780 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000564823894 1028506396 /nfs/dbraw/zinc/50/63/96/1028506396.db2.gz NGWWFECOYHIUOC-SJORKVTESA-N 2 0 318.367 3.565 20 0 DHADRP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449288727 1028510354 /nfs/dbraw/zinc/51/03/54/1028510354.db2.gz ZTTSWHHWHWWNTL-DOTOQJQBSA-N 2 0 310.526 3.680 20 0 DHADRP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C[C@@H]1CCC[NH+](C)C1 ZINC000118841899 1028523054 /nfs/dbraw/zinc/52/30/54/1028523054.db2.gz SOLJLMXZPIQCMB-CQSZACIVSA-N 2 0 317.864 3.662 20 0 DHADRP C[C@H](C[NH+]1CCC(CC[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000565060094 1028533926 /nfs/dbraw/zinc/53/39/26/1028533926.db2.gz AOGOWDIRJRWLMY-CYBMUJFWSA-N 2 0 314.395 3.870 20 0 DHADRP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc2ccccc21 ZINC000449320509 1028548972 /nfs/dbraw/zinc/54/89/72/1028548972.db2.gz JGLUFDJLQUGTKM-DFNIBXOVSA-N 2 0 324.468 3.905 20 0 DHADRP COc1cccc2c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cccc12 ZINC000449322266 1028551825 /nfs/dbraw/zinc/55/18/25/1028551825.db2.gz ORCYLCSBFVEGMX-JWTNVVGKSA-N 2 0 324.468 3.905 20 0 DHADRP C[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000449343088 1028555102 /nfs/dbraw/zinc/55/51/02/1028555102.db2.gz HOVRARWXSDPOKS-OAHLLOKOSA-N 2 0 310.432 3.924 20 0 DHADRP C[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000449343087 1028556911 /nfs/dbraw/zinc/55/69/11/1028556911.db2.gz HOVRARWXSDPOKS-HNNXBMFYSA-N 2 0 310.432 3.924 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000370148007 1028572743 /nfs/dbraw/zinc/57/27/43/1028572743.db2.gz IAGMLZOZLPGSHK-IBGZPJMESA-N 2 0 316.489 3.577 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccc(F)cc2C)CC[NH+](C)CC1 ZINC000815627434 1028578141 /nfs/dbraw/zinc/57/81/41/1028578141.db2.gz AORDMWJSWYECRA-CQSZACIVSA-N 2 0 310.482 3.612 20 0 DHADRP C[C@H]1CCC[C@H](CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000370376568 1028596314 /nfs/dbraw/zinc/59/63/14/1028596314.db2.gz CPKDMJQDPRNASZ-ZWKOTPCHSA-N 2 0 322.537 3.778 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccn1 ZINC000449397362 1028598927 /nfs/dbraw/zinc/59/89/27/1028598927.db2.gz PUPDGNXAWZHYTF-UHFFFAOYSA-N 2 0 315.505 3.746 20 0 DHADRP C[C@H]([NH2+]C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000566481269 1028733228 /nfs/dbraw/zinc/73/32/28/1028733228.db2.gz GNIQBEWWALSEJQ-UHOSZYNNSA-N 2 0 315.505 3.510 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371686098 1028746478 /nfs/dbraw/zinc/74/64/78/1028746478.db2.gz RBTCIUVOJLLMPR-USXIJHARSA-N 2 0 304.503 3.556 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(SC(F)F)cc2)CC[N@@H+]1C ZINC000781632904 1028763693 /nfs/dbraw/zinc/76/36/93/1028763693.db2.gz ZNMSZHATVKPGCQ-YPMHNXCESA-N 2 0 300.418 3.574 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000372047952 1028799768 /nfs/dbraw/zinc/79/97/68/1028799768.db2.gz VZPOXYSOBLAMOF-BFYDXBDKSA-N 2 0 310.507 3.536 20 0 DHADRP CN(C/C=C/c1ccc(F)c(F)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000567520230 1028908815 /nfs/dbraw/zinc/90/88/15/1028908815.db2.gz GIDHHOZIOJAWIA-JFDDCEBESA-N 2 0 308.416 3.784 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@]2(C)CCCS2)C1 ZINC000628156279 1028910278 /nfs/dbraw/zinc/91/02/78/1028910278.db2.gz KDMATFAJHSQQTL-FGTMMUONSA-N 2 0 310.551 3.859 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1c(Cl)cccc1Cl ZINC000568248718 1029032943 /nfs/dbraw/zinc/03/29/43/1029032943.db2.gz YQFXRTIVXCYPOO-GRYCIOLGSA-N 2 0 301.261 3.956 20 0 DHADRP Cc1ccc(F)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC001138028059 1029041318 /nfs/dbraw/zinc/04/13/18/1029041318.db2.gz VEACETUDSGKZOJ-UHFFFAOYSA-N 2 0 310.844 3.705 20 0 DHADRP Cc1ccc2ncc(CN3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2c1 ZINC000411303347 1029093075 /nfs/dbraw/zinc/09/30/75/1029093075.db2.gz QSNMCVRLJCTSOF-GOSISDBHSA-N 2 0 323.484 3.707 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000373645976 1029106112 /nfs/dbraw/zinc/10/61/12/1029106112.db2.gz UYFPQWHNWXUPAI-HLTONANMSA-N 2 0 304.453 3.780 20 0 DHADRP Cc1cncc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000373663087 1029108774 /nfs/dbraw/zinc/10/87/74/1029108774.db2.gz OETLCATZASJESP-OAQYLSRUSA-N 2 0 323.484 3.877 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000569055301 1029167883 /nfs/dbraw/zinc/16/78/83/1029167883.db2.gz FDOKZJJSUYXXKC-NLWGTHIKSA-N 2 0 323.569 3.740 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CCC(Cl)(Cl)Cl)C2)CC1 ZINC000374074326 1029200147 /nfs/dbraw/zinc/20/01/47/1029200147.db2.gz JVPNVZJQIPDDFZ-UHFFFAOYSA-N 2 0 313.700 3.555 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccs1)c1cccc(O)c1 ZINC000374208790 1029241111 /nfs/dbraw/zinc/24/11/11/1029241111.db2.gz DZPOXEMMRBRBGA-YEWWUXTCSA-N 2 0 316.470 3.797 20 0 DHADRP C[C@H](CC[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000569732478 1029257751 /nfs/dbraw/zinc/25/77/51/1029257751.db2.gz CKGVLAFYOYBEPE-XLIONFOSSA-N 2 0 300.490 3.844 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817927209 1029268279 /nfs/dbraw/zinc/26/82/79/1029268279.db2.gz ZMAFTWOPPZUGBS-SBMIAAHKSA-N 2 0 303.233 3.532 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000817895710 1029268633 /nfs/dbraw/zinc/26/86/33/1029268633.db2.gz ZSFGRJPMCMHWTA-IDHHARJASA-N 2 0 302.462 3.514 20 0 DHADRP CCCCC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817891748 1029268773 /nfs/dbraw/zinc/26/87/73/1029268773.db2.gz GIHJTWSWNNHMFG-IEZWGBDMSA-N 2 0 302.462 3.801 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1OC ZINC000817900788 1029269904 /nfs/dbraw/zinc/26/99/04/1029269904.db2.gz WJCKCVIFXKXYHW-KSSFIOAISA-N 2 0 313.445 3.659 20 0 DHADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1OC ZINC000817900786 1029270606 /nfs/dbraw/zinc/27/06/06/1029270606.db2.gz WJCKCVIFXKXYHW-KDOFPFPSSA-N 2 0 313.445 3.659 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000817907284 1029271748 /nfs/dbraw/zinc/27/17/48/1029271748.db2.gz AYMCTXZCAIOHJP-OALUTQOASA-N 2 0 304.478 3.652 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)[C@H](C)C1 ZINC000569874216 1029278296 /nfs/dbraw/zinc/27/82/96/1029278296.db2.gz VQURVHNHWRFEHI-SQNIBIBYSA-N 2 0 312.542 3.928 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](O)c1ccccc1 ZINC000817927632 1029280377 /nfs/dbraw/zinc/28/03/77/1029280377.db2.gz NVKHQZDUALKLDK-VNTMZGSJSA-N 2 0 310.441 3.623 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000817936886 1029280522 /nfs/dbraw/zinc/28/05/22/1029280522.db2.gz ODBJLOGJKFLNLW-CFVMTHIKSA-N 2 0 315.288 3.509 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000817948503 1029290165 /nfs/dbraw/zinc/29/01/65/1029290165.db2.gz ZPTPHRSWLIRIQE-QGZVFWFLSA-N 2 0 316.445 3.654 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2ccccc2n1 ZINC000817948400 1029290358 /nfs/dbraw/zinc/29/03/58/1029290358.db2.gz JAVIPUMAJRLCCD-HNNXBMFYSA-N 2 0 305.425 3.587 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949234 1029290873 /nfs/dbraw/zinc/29/08/73/1029290873.db2.gz OMIYCHBGUSQBJV-XOBRGWDASA-N 2 0 312.432 3.740 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc(C)c1F ZINC000817947272 1029291741 /nfs/dbraw/zinc/29/17/41/1029291741.db2.gz AZCNRTKTSIPKAL-HNNXBMFYSA-N 2 0 300.421 3.795 20 0 DHADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(SC(F)F)cc1 ZINC000817984703 1029319741 /nfs/dbraw/zinc/31/97/41/1029319741.db2.gz XMMIWNUROLUNMD-LLVKDONJSA-N 2 0 300.418 3.794 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCCO2 ZINC000817985526 1029323869 /nfs/dbraw/zinc/32/38/69/1029323869.db2.gz LLHIAPDKSREARC-ROUUACIJSA-N 2 0 314.473 3.727 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2ccccc2c1 ZINC000374419451 1029329733 /nfs/dbraw/zinc/32/97/33/1029329733.db2.gz HMSMLAMPIWFEFM-HKBOAZHASA-N 2 0 324.468 3.523 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2ccccc2c1 ZINC000374419453 1029331363 /nfs/dbraw/zinc/33/13/63/1029331363.db2.gz HMSMLAMPIWFEFM-NJYVYQBISA-N 2 0 324.468 3.523 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)nc1 ZINC000629525488 1029357544 /nfs/dbraw/zinc/35/75/44/1029357544.db2.gz ZMRVYFQZCLJRHQ-DLBZAZTESA-N 2 0 303.494 3.568 20 0 DHADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000629528902 1029357843 /nfs/dbraw/zinc/35/78/43/1029357843.db2.gz MQTPWBSSWYXZHZ-HNNXBMFYSA-N 2 0 322.518 3.608 20 0 DHADRP Cc1cncc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000629527928 1029358140 /nfs/dbraw/zinc/35/81/40/1029358140.db2.gz JTKYTMGFBQMFEN-LEWJYISDSA-N 2 0 323.484 3.562 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000629532023 1029360722 /nfs/dbraw/zinc/36/07/22/1029360722.db2.gz IVHPEJCPRQSVIA-OALUTQOASA-N 2 0 323.484 3.755 20 0 DHADRP [NH3+]CCCOCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000629534450 1029362806 /nfs/dbraw/zinc/36/28/06/1029362806.db2.gz ACNZVQJXEVNEAN-KRWDZBQOSA-N 2 0 310.869 3.526 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170897492 1029363702 /nfs/dbraw/zinc/36/37/02/1029363702.db2.gz OYYFQZRPOHLDQZ-KRWDZBQOSA-N 2 0 320.908 3.907 20 0 DHADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000629551588 1029368973 /nfs/dbraw/zinc/36/89/73/1029368973.db2.gz WEAZQXBWCLUDPQ-YOFSQIOKSA-N 2 0 308.469 3.990 20 0 DHADRP CCc1cc(N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)cc[nH+]1 ZINC000450461334 1029480727 /nfs/dbraw/zinc/48/07/27/1029480727.db2.gz ATUQRWNYKOKKJA-IBGZPJMESA-N 2 0 324.472 3.530 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC000820810586 1029769552 /nfs/dbraw/zinc/76/95/52/1029769552.db2.gz AABGMLVMSBLFIH-ATZDWAIDSA-N 2 0 316.489 3.747 20 0 DHADRP CCc1noc(CC)c1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812199 1029769849 /nfs/dbraw/zinc/76/98/49/1029769849.db2.gz FSWLUPHXENUQCR-CQSZACIVSA-N 2 0 315.461 3.712 20 0 DHADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1cccs1 ZINC000820813149 1029770708 /nfs/dbraw/zinc/77/07/08/1029770708.db2.gz ZLIXOEYCBYSFRE-YTTRVJOFSA-N 2 0 304.503 3.674 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000530179923 1029774473 /nfs/dbraw/zinc/77/44/73/1029774473.db2.gz YUWAGFGCPRHTFS-DOMZBBRYSA-N 2 0 312.379 3.511 20 0 DHADRP COc1cccc([C@@H]2C[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2(C)C)c1 ZINC000530245353 1029790371 /nfs/dbraw/zinc/79/03/71/1029790371.db2.gz WOBPMQJIPDHVCB-BXWFABGCSA-N 2 0 316.489 3.509 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000121761035 1029836892 /nfs/dbraw/zinc/83/68/92/1029836892.db2.gz YGTGLMAHBGGCDJ-SFHVURJKSA-N 2 0 302.462 3.612 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170970656 1029868179 /nfs/dbraw/zinc/86/81/79/1029868179.db2.gz LXKPVTJSMIWVNM-KRWDZBQOSA-N 2 0 316.464 3.667 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000122074823 1029946994 /nfs/dbraw/zinc/94/69/94/1029946994.db2.gz GAYSXUOGHJDESF-XYJFISCASA-N 2 0 310.526 3.823 20 0 DHADRP COc1cccc2cc(C[NH2+]C3CCC(C)([NH+](C)C)CC3)oc21 ZINC000865765922 1030014403 /nfs/dbraw/zinc/01/44/03/1030014403.db2.gz SFDMLGOMXRAAAX-UHFFFAOYSA-N 2 0 316.445 3.794 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000865765030 1030014714 /nfs/dbraw/zinc/01/47/14/1030014714.db2.gz IYFYLNGMOGCXMV-UHFFFAOYSA-N 3 0 321.553 3.636 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000865764780 1030015212 /nfs/dbraw/zinc/01/52/12/1030015212.db2.gz BJWLYDZCFGINQL-UHFFFAOYSA-N 2 0 315.505 3.508 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290420747 1030043482 /nfs/dbraw/zinc/04/34/82/1030043482.db2.gz USCCXPXQOWFJRU-MJGOQNOKSA-N 2 0 318.505 3.549 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451887859 1030043365 /nfs/dbraw/zinc/04/33/65/1030043365.db2.gz HAONXKYVPBMISE-SFHVURJKSA-N 2 0 323.569 3.693 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Cl)cc2)C[C@H]1C ZINC000530901743 1030062855 /nfs/dbraw/zinc/06/28/55/1030062855.db2.gz UTVHDQPQRUWXCE-GDBMZVCRSA-N 2 0 310.869 3.523 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000290535802 1030095315 /nfs/dbraw/zinc/09/53/15/1030095315.db2.gz QWWAVSBLDDXELN-UHFFFAOYSA-N 2 0 313.445 3.502 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924526439 1030113235 /nfs/dbraw/zinc/11/32/35/1030113235.db2.gz FAODUNHGSIXUBD-CVEARBPZSA-N 2 0 306.498 3.769 20 0 DHADRP CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924524077 1030113672 /nfs/dbraw/zinc/11/36/72/1030113672.db2.gz DGUKWJCCZJWBBH-IHWFROFDSA-N 2 0 316.489 3.588 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822798303 1030124287 /nfs/dbraw/zinc/12/42/87/1030124287.db2.gz SXVSAFXVCUJHCZ-CQSZACIVSA-N 2 0 307.309 3.624 20 0 DHADRP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000924567722 1030124463 /nfs/dbraw/zinc/12/44/63/1030124463.db2.gz QLPFDDUYIZANIL-RAFMOHDBSA-N 2 0 316.489 3.759 20 0 DHADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000924657362 1030152473 /nfs/dbraw/zinc/15/24/73/1030152473.db2.gz MCDDIZNMVALJGW-UXHICEINSA-N 2 0 318.505 3.678 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000924687967 1030160912 /nfs/dbraw/zinc/16/09/12/1030160912.db2.gz YBAYZWLQVIXYSO-ZOBUZTSGSA-N 2 0 319.493 3.708 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924698200 1030162322 /nfs/dbraw/zinc/16/23/22/1030162322.db2.gz XXUHQRBGVGQMLE-SZMVWBNQSA-N 2 0 318.530 3.946 20 0 DHADRP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866220455 1030166454 /nfs/dbraw/zinc/16/64/54/1030166454.db2.gz GJCOOTPTWALPBA-LLVKDONJSA-N 2 0 319.836 3.759 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000866222743 1030167081 /nfs/dbraw/zinc/16/70/81/1030167081.db2.gz SZQJKLXAUXOVRY-SFHVURJKSA-N 2 0 323.484 3.788 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1 ZINC000924708057 1030168884 /nfs/dbraw/zinc/16/88/84/1030168884.db2.gz OEEXBGUNOHDKHB-PBPGXSGUSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000866232654 1030171025 /nfs/dbraw/zinc/17/10/25/1030171025.db2.gz AGDAOGJIMUDBSI-GOSISDBHSA-N 2 0 303.494 3.504 20 0 DHADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccn1 ZINC000245884775 1030174582 /nfs/dbraw/zinc/17/45/82/1030174582.db2.gz IQWICDNRGVDTLU-HDMKZQKVSA-N 2 0 315.486 3.877 20 0 DHADRP Cc1cc(C)cc([C@@H]([NH2+]CCCC[NH+](C)C)c2cccnc2)c1 ZINC000924853367 1030205491 /nfs/dbraw/zinc/20/54/91/1030205491.db2.gz JQKUYKPSDWGWNT-FQEVSTJZSA-N 2 0 311.473 3.719 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccnnc1 ZINC000924962292 1030237089 /nfs/dbraw/zinc/23/70/89/1030237089.db2.gz DQKMEURQAFMZLX-KRWDZBQOSA-N 2 0 324.472 3.559 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924963678 1030238381 /nfs/dbraw/zinc/23/83/81/1030238381.db2.gz MGDXEEONWHEGEZ-JTQLQIEISA-N 2 0 306.397 3.759 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccnnc1 ZINC000924962294 1030238554 /nfs/dbraw/zinc/23/85/54/1030238554.db2.gz DQKMEURQAFMZLX-QGZVFWFLSA-N 2 0 324.472 3.559 20 0 DHADRP Cc1ccccc1C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000925142584 1030284503 /nfs/dbraw/zinc/28/45/03/1030284503.db2.gz OULSYYGEWCSGHR-WDSOQIARSA-N 2 0 312.457 3.944 20 0 DHADRP C[C@H](CC1CC1)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358023673 1030284520 /nfs/dbraw/zinc/28/45/20/1030284520.db2.gz QEMMAYJSUCJUJU-ZACQAIPSSA-N 2 0 316.489 3.574 20 0 DHADRP Cc1ccc2[nH]c(CN[C@@H](C)c3cccc(C[NH+](C)C)c3)nc2c1 ZINC000925193228 1030298632 /nfs/dbraw/zinc/29/86/32/1030298632.db2.gz WWLZUPWZXOOTRK-HNNXBMFYSA-N 2 0 322.456 3.784 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000925200842 1030302723 /nfs/dbraw/zinc/30/27/23/1030302723.db2.gz BTZGFTHPGCIFGI-MSOLQXFVSA-N 2 0 311.473 3.513 20 0 DHADRP C[C@H](CC[NH2+][C@@H](C)Cc1ccccn1)[N@H+](C)Cc1ccccc1 ZINC000925200848 1030302819 /nfs/dbraw/zinc/30/28/19/1030302819.db2.gz BTZGFTHPGCIFGI-ZWKOTPCHSA-N 2 0 311.473 3.513 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000866478432 1030313653 /nfs/dbraw/zinc/31/36/53/1030313653.db2.gz IDGQLSKDRCHYCG-QAPCUYQASA-N 2 0 322.518 3.563 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H](c2cccnc2)C(C)C)CC1 ZINC000925233665 1030315464 /nfs/dbraw/zinc/31/54/64/1030315464.db2.gz GUYWPBGVAJMTTG-FQEVSTJZSA-N 2 0 317.521 3.921 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000925296410 1030336640 /nfs/dbraw/zinc/33/66/40/1030336640.db2.gz XPYYBVOBAPFMDT-KFKAGJAMSA-N 2 0 304.478 3.602 20 0 DHADRP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000358155482 1030348089 /nfs/dbraw/zinc/34/80/89/1030348089.db2.gz SUFLLKOWOGOUDS-MRXNPFEDSA-N 2 0 309.457 3.656 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823653718 1030356698 /nfs/dbraw/zinc/35/66/98/1030356698.db2.gz BSMWNEUOFLXSIA-CYBMUJFWSA-N 2 0 313.848 3.618 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCSCCC(F)(F)F)CC1 ZINC000866543887 1030365582 /nfs/dbraw/zinc/36/55/82/1030365582.db2.gz ZOSRSVZTDCEMBN-UHFFFAOYSA-N 2 0 312.445 3.525 20 0 DHADRP Clc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)C2 ZINC001171024089 1030374196 /nfs/dbraw/zinc/37/41/96/1030374196.db2.gz IWHIDRJMAGDDSJ-INIZCTEOSA-N 2 0 318.892 3.804 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCSc1ccccc1)c1ccccc1 ZINC000925511504 1030379856 /nfs/dbraw/zinc/37/98/56/1030379856.db2.gz OAUKACGMIHJFET-GOSISDBHSA-N 2 0 300.471 3.849 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925526480 1030387136 /nfs/dbraw/zinc/38/71/36/1030387136.db2.gz JCJOZTBJVUKNMF-FQEVSTJZSA-N 2 0 312.457 3.793 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000823748000 1030387241 /nfs/dbraw/zinc/38/72/41/1030387241.db2.gz PYUBANRSNQCSBJ-RTBURBONSA-N 2 0 308.510 3.578 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C[C@@H]([NH3+])C1 ZINC000925528513 1030387929 /nfs/dbraw/zinc/38/79/29/1030387929.db2.gz VMXXWLOJCPFSOC-PQAZSJQKSA-N 2 0 306.416 3.851 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000925626945 1030424831 /nfs/dbraw/zinc/42/48/31/1030424831.db2.gz RYYCOEQBRVHZHO-BZSNNMDCSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708316 1030427508 /nfs/dbraw/zinc/42/75/08/1030427508.db2.gz MPHYKCQKAZKVNF-IBGZPJMESA-N 2 0 303.494 3.710 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c2ccccc2n1 ZINC000866707417 1030429041 /nfs/dbraw/zinc/42/90/41/1030429041.db2.gz OCNLYNNRQYRFNL-HXUWFJFHSA-N 2 0 311.473 3.740 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C12CCC2 ZINC000925645812 1030432194 /nfs/dbraw/zinc/43/21/94/1030432194.db2.gz TYVCUXLUHOMFPE-CABCVRRESA-N 2 0 324.390 3.597 20 0 DHADRP CCSc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000925647007 1030432619 /nfs/dbraw/zinc/43/26/19/1030432619.db2.gz WQOAPNJVDCJPSY-QGZVFWFLSA-N 2 0 315.486 3.763 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925656817 1030443728 /nfs/dbraw/zinc/44/37/28/1030443728.db2.gz PNPJUAFSDHADBF-DTZQCDIJSA-N 2 0 324.390 3.811 20 0 DHADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925663747 1030445561 /nfs/dbraw/zinc/44/55/61/1030445561.db2.gz VRHLPDZVDANRJK-GUDVDZBRSA-N 2 0 318.505 3.520 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925661926 1030445614 /nfs/dbraw/zinc/44/56/14/1030445614.db2.gz FQPOYGRKEVYNHC-BPUTZDHNSA-N 2 0 300.437 3.570 20 0 DHADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925663750 1030445709 /nfs/dbraw/zinc/44/57/09/1030445709.db2.gz VRHLPDZVDANRJK-QRVBRYPASA-N 2 0 318.505 3.520 20 0 DHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925678410 1030450473 /nfs/dbraw/zinc/45/04/73/1030450473.db2.gz DSTIHOKVVGZWJY-SZMVWBNQSA-N 2 0 316.514 3.634 20 0 DHADRP COc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc2ccccc21 ZINC000925713309 1030460060 /nfs/dbraw/zinc/46/00/60/1030460060.db2.gz XHNUQXIMHQOBRP-HNNXBMFYSA-N 2 0 310.441 3.761 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925716665 1030463452 /nfs/dbraw/zinc/46/34/52/1030463452.db2.gz BPIMBGKRSBJFJK-CABCVRRESA-N 2 0 318.427 3.867 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[C@@H]([NH3+])C1 ZINC000925723903 1030464346 /nfs/dbraw/zinc/46/43/46/1030464346.db2.gz DJXIPPDJLJXSJR-TWMKSMIVSA-N 2 0 322.880 3.666 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@H](CCC[NH3+])c2ccccc2)nc1 ZINC000925719938 1030465109 /nfs/dbraw/zinc/46/51/09/1030465109.db2.gz QNLMKFQTTPCXOK-GOSISDBHSA-N 2 0 311.473 3.737 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC(C)(C)[NH3+] ZINC000925738302 1030471352 /nfs/dbraw/zinc/47/13/52/1030471352.db2.gz QABCLGLAPKLMID-LBPRGKRZSA-N 2 0 302.384 3.744 20 0 DHADRP CC(C)([NH3+])CC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000925737106 1030471948 /nfs/dbraw/zinc/47/19/48/1030471948.db2.gz FEOWPUFKENIBGZ-GFCCVEGCSA-N 2 0 317.296 3.679 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000925742924 1030473890 /nfs/dbraw/zinc/47/38/90/1030473890.db2.gz YUHMXCMFDRUVOF-ZBFHGGJFSA-N 2 0 308.441 3.578 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cnn1-c1cccc(Cl)c1 ZINC000925742872 1030474095 /nfs/dbraw/zinc/47/40/95/1030474095.db2.gz YFJCQOXZJZFTES-GFCCVEGCSA-N 2 0 320.868 3.612 20 0 DHADRP CC(C)C[C@@H]1CCC[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000925750486 1030480748 /nfs/dbraw/zinc/48/07/48/1030480748.db2.gz GKPFPGFUDCEVLT-UONOGXRCSA-N 2 0 307.507 3.565 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1(c2ccccc2)CCCC1 ZINC000925777493 1030492658 /nfs/dbraw/zinc/49/26/58/1030492658.db2.gz PETLATKXZXXWOU-WBVHZDCISA-N 2 0 322.443 3.721 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc2ccccc21 ZINC000925781452 1030496499 /nfs/dbraw/zinc/49/64/99/1030496499.db2.gz YRTYUUJDKVWDTD-DZGCQCFKSA-N 2 0 304.384 3.735 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000925803706 1030503675 /nfs/dbraw/zinc/50/36/75/1030503675.db2.gz SSBTWXZZWAEPPN-XGFWRYKXSA-N 2 0 312.910 3.729 20 0 DHADRP Fc1cncc([C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)C2CC2)c1 ZINC000925810352 1030505674 /nfs/dbraw/zinc/50/56/74/1030505674.db2.gz ZHZMNGHPOHUQBW-IBGZPJMESA-N 2 0 319.468 3.821 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)s1 ZINC000925816675 1030509532 /nfs/dbraw/zinc/50/95/32/1030509532.db2.gz INPISZYASZQGSY-ZDUSSCGKSA-N 2 0 309.523 3.971 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925840611 1030516142 /nfs/dbraw/zinc/51/61/42/1030516142.db2.gz MXLXKJAYGVBSJL-PNYFIKQUSA-N 2 0 313.489 3.538 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCCO2 ZINC000925876344 1030529601 /nfs/dbraw/zinc/52/96/01/1030529601.db2.gz VAZDGOQXASAXNZ-HFTRVMKXSA-N 2 0 302.462 3.741 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879516 1030532867 /nfs/dbraw/zinc/53/28/67/1030532867.db2.gz GOJGFOJSPRLZGV-OAGGEKHMSA-N 2 0 313.489 3.941 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925882677 1030534136 /nfs/dbraw/zinc/53/41/36/1030534136.db2.gz PPCXJYPWUXDMBJ-LQJIQPLVSA-N 2 0 316.489 3.827 20 0 DHADRP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888224 1030536701 /nfs/dbraw/zinc/53/67/01/1030536701.db2.gz RKFZPVAPKGDHKF-UIFIKXQLSA-N 2 0 308.469 3.656 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccs1 ZINC000925889162 1030536829 /nfs/dbraw/zinc/53/68/29/1030536829.db2.gz ZKQRJSGEJZAQTB-XYJFISCASA-N 2 0 300.471 3.848 20 0 DHADRP Cc1ccsc1[C@@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888961 1030536966 /nfs/dbraw/zinc/53/69/66/1030536966.db2.gz XGQRBKZYRGMVDR-KYJSFNMBSA-N 2 0 300.471 3.766 20 0 DHADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119491 1030625253 /nfs/dbraw/zinc/62/52/53/1030625253.db2.gz KOGHXNPRBVAEBQ-SFNKJDCFSA-N 2 0 310.526 3.559 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000246851853 1030657321 /nfs/dbraw/zinc/65/73/21/1030657321.db2.gz CPADJRWAQJJPGS-MSOLQXFVSA-N 2 0 318.505 3.966 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000246843996 1030658172 /nfs/dbraw/zinc/65/81/72/1030658172.db2.gz CGWOJGKHPVRMBS-OXQOHEQNSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000247169543 1030679730 /nfs/dbraw/zinc/67/97/30/1030679730.db2.gz YMEWQOSZNPPPBE-WBVHZDCISA-N 2 0 304.503 3.934 20 0 DHADRP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000247998854 1030712496 /nfs/dbraw/zinc/71/24/96/1030712496.db2.gz KEDYIQZQNKXVMV-LQWHRVPQSA-N 2 0 323.484 3.951 20 0 DHADRP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000247998859 1030714273 /nfs/dbraw/zinc/71/42/73/1030714273.db2.gz KEDYIQZQNKXVMV-LVCYWYKZSA-N 2 0 323.484 3.951 20 0 DHADRP CCN1CCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000248052222 1030716691 /nfs/dbraw/zinc/71/66/91/1030716691.db2.gz WQSGENFARVBWET-RDJZCZTQSA-N 2 0 300.446 3.507 20 0 DHADRP C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926438327 1030738456 /nfs/dbraw/zinc/73/84/56/1030738456.db2.gz ARXAVFCWBQHFEE-YJBOKZPZSA-N 2 0 310.441 3.575 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc2ccccc21 ZINC000926450393 1030745327 /nfs/dbraw/zinc/74/53/27/1030745327.db2.gz MEZQQTRKOQTVAS-BBRMVZONSA-N 2 0 321.424 3.780 20 0 DHADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(Br)c1 ZINC000336792691 1030801481 /nfs/dbraw/zinc/80/14/81/1030801481.db2.gz SZTVAQUUUAUQLG-SWLSCSKDSA-N 2 0 313.283 3.688 20 0 DHADRP Cc1ccc(C(F)(F)F)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001143680944 1030901343 /nfs/dbraw/zinc/90/13/43/1030901343.db2.gz PZJFPSKWEQNLAR-UHFFFAOYSA-N 2 0 312.379 3.541 20 0 DHADRP CCCC[NH+]1CCC(N[C@H](C)c2sc(CC)nc2C)CC1 ZINC000164443036 1030915469 /nfs/dbraw/zinc/91/54/69/1030915469.db2.gz YPWQSDNWBDXUSH-CYBMUJFWSA-N 2 0 309.523 3.929 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000926788508 1030927372 /nfs/dbraw/zinc/92/73/72/1030927372.db2.gz DVSKBCCMLFYYLZ-INIZCTEOSA-N 2 0 318.509 3.769 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OC(F)F)c1 ZINC000161608678 1030928873 /nfs/dbraw/zinc/92/88/73/1030928873.db2.gz BEOZNVPWRWWDEI-AEGPPILISA-N 2 0 310.388 3.565 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cccc(C[NH+](C)C)c1 ZINC000926805045 1030937616 /nfs/dbraw/zinc/93/76/16/1030937616.db2.gz MUXHIZZREHXJGL-IERDGZPVSA-N 2 0 323.484 3.586 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CCC2)CC1 ZINC000926812336 1030940907 /nfs/dbraw/zinc/94/09/07/1030940907.db2.gz LXGGKLHVMOAVDL-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@]12CCCO2)c1cccc(C[NH+](C)C)c1 ZINC000926863144 1030959923 /nfs/dbraw/zinc/95/99/23/1030959923.db2.gz ZODOEWNIVAJCLT-KFKAGJAMSA-N 2 0 302.462 3.501 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968562 1030982124 /nfs/dbraw/zinc/98/21/24/1030982124.db2.gz QRJXXTKDCNDHSA-WDSOQIARSA-N 2 0 300.490 3.890 20 0 DHADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925497676 1030983673 /nfs/dbraw/zinc/98/36/73/1030983673.db2.gz YCULDTGTQWLOOF-YOEHRIQHSA-N 2 0 318.486 3.502 20 0 DHADRP C[C@H](c1ccccn1)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)c1ccccn1 ZINC000255282543 1030989007 /nfs/dbraw/zinc/98/90/07/1030989007.db2.gz OZOWJCZUYZHANI-BJDFZXPUSA-N 2 0 324.472 3.719 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000927009381 1031030720 /nfs/dbraw/zinc/03/07/20/1031030720.db2.gz CMXZAPFAERDFIF-JLAWEPINSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927033528 1031043133 /nfs/dbraw/zinc/04/31/33/1031043133.db2.gz SZVDSSCNBBVBDF-ZAWLATJESA-N 2 0 318.530 3.771 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc2c(c1)CCO2 ZINC000927039925 1031047746 /nfs/dbraw/zinc/04/77/46/1031047746.db2.gz XQOWGJFTBJAHNC-IJNIYJAUSA-N 2 0 314.473 3.679 20 0 DHADRP COc1ccccc1C[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039538 1031050010 /nfs/dbraw/zinc/05/00/10/1031050010.db2.gz VLQFGFMTXCZRKW-PPDQVPDSSA-N 2 0 316.489 3.623 20 0 DHADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000261785677 1031063876 /nfs/dbraw/zinc/06/38/76/1031063876.db2.gz UJSVWVFKVFPJSN-QGZVFWFLSA-N 2 0 304.434 3.725 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286854748 1031106852 /nfs/dbraw/zinc/10/68/52/1031106852.db2.gz AQSMCEKNGWWTLC-WDSOQIARSA-N 2 0 318.530 3.630 20 0 DHADRP CCc1onc(C)c1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000927130599 1031109753 /nfs/dbraw/zinc/10/97/53/1031109753.db2.gz DUMMUDMCALUARU-ZDUSSCGKSA-N 2 0 310.401 3.582 20 0 DHADRP CC(C)O[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000292793049 1031180501 /nfs/dbraw/zinc/18/05/01/1031180501.db2.gz KDZYSZVGPQHRQZ-XNMUZJSGSA-N 2 0 316.489 3.710 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000123651144 1031224262 /nfs/dbraw/zinc/22/42/62/1031224262.db2.gz YLBYGXSWZPVSQU-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP Cc1c(O)cccc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001144109432 1031248792 /nfs/dbraw/zinc/24/87/92/1031248792.db2.gz BTVXNKAKCWMSBQ-UHFFFAOYSA-N 2 0 314.473 3.541 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000360030297 1031248649 /nfs/dbraw/zinc/24/86/49/1031248649.db2.gz VOQMOXFZRJVKTM-ZIFCJYIRSA-N 2 0 314.473 3.734 20 0 DHADRP Cc1c(O)cccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001144116891 1031255080 /nfs/dbraw/zinc/25/50/80/1031255080.db2.gz DHVXGKXPASXOJM-ROUUACIJSA-N 2 0 302.462 3.539 20 0 DHADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccncc1 ZINC000360336206 1031382306 /nfs/dbraw/zinc/38/23/06/1031382306.db2.gz JJDBNYRVMDHETO-NQIIRXRSSA-N 2 0 323.484 3.514 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)[C@@H]1CCCOC1 ZINC000872018717 1031400923 /nfs/dbraw/zinc/40/09/23/1031400923.db2.gz PBOZUOZJGMSAKG-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000872018301 1031401000 /nfs/dbraw/zinc/40/10/00/1031401000.db2.gz KEKWIMVBBBSUBK-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844924355 1031404476 /nfs/dbraw/zinc/40/44/76/1031404476.db2.gz KMQCTEUXVHJOEK-AEGPPILISA-N 2 0 315.288 3.509 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCCOC1 ZINC000872025608 1031410904 /nfs/dbraw/zinc/41/09/04/1031410904.db2.gz QADQOCHSISLZDM-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@H]1CCCOC1 ZINC000872028092 1031411423 /nfs/dbraw/zinc/41/14/23/1031411423.db2.gz NQOWCPMPRINOCO-PMACEKPBSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000536846183 1031454930 /nfs/dbraw/zinc/45/49/30/1031454930.db2.gz REROCVUJVPNDOG-BRWVUGGUSA-N 2 0 300.490 3.914 20 0 DHADRP C[NH+](C)CCC[N@H+](C)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171159235 1031455250 /nfs/dbraw/zinc/45/52/50/1031455250.db2.gz WQGCNRGYGDTMQV-CQSZACIVSA-N 2 0 315.288 3.734 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956962 1031479514 /nfs/dbraw/zinc/47/95/14/1031479514.db2.gz AHQMZFDQEJELMR-BEFAXECRSA-N 2 0 304.453 3.907 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000537202947 1031534385 /nfs/dbraw/zinc/53/43/85/1031534385.db2.gz FKKMQVTUXOEQFU-YZGWKJHDSA-N 2 0 300.490 3.671 20 0 DHADRP Cc1ccc(-c2nc(C[N@H+](C)CCCCCC[NH3+])co2)cc1 ZINC000872154928 1031536034 /nfs/dbraw/zinc/53/60/34/1031536034.db2.gz FLKKVUCTJMCTPC-UHFFFAOYSA-N 2 0 301.434 3.601 20 0 DHADRP Cc1ccncc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157190 1031536445 /nfs/dbraw/zinc/53/64/45/1031536445.db2.gz NIVCYWNOGKVDPL-VQIMIIECSA-N 2 0 301.478 3.510 20 0 DHADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156036 1031536714 /nfs/dbraw/zinc/53/67/14/1031536714.db2.gz CYZRPLOOGOAJPH-RDJZCZTQSA-N 2 0 321.534 3.614 20 0 DHADRP Cc1ccccc1-c1cnc(C[N@H+](C)CCCCCC[NH3+])o1 ZINC000872155881 1031538254 /nfs/dbraw/zinc/53/82/54/1031538254.db2.gz ZMULUSOBYRKMNY-UHFFFAOYSA-N 2 0 301.434 3.601 20 0 DHADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158888 1031539515 /nfs/dbraw/zinc/53/95/15/1031539515.db2.gz YUUHHZQTQIGDQY-YJBOKZPZSA-N 2 0 319.493 3.665 20 0 DHADRP Cc1ncccc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157242 1031540346 /nfs/dbraw/zinc/54/03/46/1031540346.db2.gz NUBMGVBYJOBZRK-LPHOPBHVSA-N 2 0 301.478 3.510 20 0 DHADRP CCc1noc(C)c1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158887 1031541706 /nfs/dbraw/zinc/54/17/06/1031541706.db2.gz YUUHHZQTQIGDQY-QAPCUYQASA-N 2 0 319.493 3.665 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1)C1CCCC1 ZINC000872158623 1031542045 /nfs/dbraw/zinc/54/20/45/1031542045.db2.gz WKIWJFWSVTYXTL-KBXCAEBGSA-N 2 0 317.477 3.672 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857889 1031542697 /nfs/dbraw/zinc/54/26/97/1031542697.db2.gz OIUDFATVLYFSHU-CJNGLKHVSA-N 2 0 314.395 3.758 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293623306 1031543300 /nfs/dbraw/zinc/54/33/00/1031543300.db2.gz FXMXIOHFPPXQHN-PKOBYXMFSA-N 2 0 304.478 3.618 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCCC1 ZINC000360885289 1031603276 /nfs/dbraw/zinc/60/32/76/1031603276.db2.gz UOKPCLKFLWJGCP-GOSISDBHSA-N 2 0 301.478 3.634 20 0 DHADRP c1cncc([C@H]([NH2+]CCCCC[NH+]2CCCC2)C2CCC2)c1 ZINC000293856014 1031656453 /nfs/dbraw/zinc/65/64/53/1031656453.db2.gz YSGHHKGZEBJGBD-LJQANCHMSA-N 2 0 301.478 3.779 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc3ncccc23)ccc1F ZINC000873050862 1031699216 /nfs/dbraw/zinc/69/92/16/1031699216.db2.gz VKFDIDIQNFARAL-UHFFFAOYSA-N 2 0 323.415 3.725 20 0 DHADRP COc1ccc([C@H](C)[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873202586 1031758073 /nfs/dbraw/zinc/75/80/73/1031758073.db2.gz UCIINFDJILDWLA-ZDUSSCGKSA-N 2 0 316.470 3.595 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212611 1031762295 /nfs/dbraw/zinc/76/22/95/1031762295.db2.gz PRPJLUDCKOBPLP-MRXNPFEDSA-N 2 0 318.873 3.824 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220143 1031763329 /nfs/dbraw/zinc/76/33/29/1031763329.db2.gz KMTMFIORIJIFOI-STQMWFEESA-N 2 0 314.395 3.614 20 0 DHADRP COc1ccccc1/C=C/C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232861 1031766065 /nfs/dbraw/zinc/76/60/65/1031766065.db2.gz OVAJDVHMEMWCIX-FNQPIQQGSA-N 2 0 314.473 3.610 20 0 DHADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232862 1031766871 /nfs/dbraw/zinc/76/68/71/1031766871.db2.gz OVAJDVHMEMWCIX-MONCILHSSA-N 2 0 314.473 3.610 20 0 DHADRP Cc1ccc2cc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)ccc2n1 ZINC000873232976 1031767004 /nfs/dbraw/zinc/76/70/04/1031767004.db2.gz UUIYVKCQWNJXNL-HXUWFJFHSA-N 2 0 323.484 3.945 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000873232856 1031767783 /nfs/dbraw/zinc/76/77/83/1031767783.db2.gz ONPASLHVSQTXNE-MRXNPFEDSA-N 2 0 324.415 3.690 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000873248079 1031771727 /nfs/dbraw/zinc/77/17/27/1031771727.db2.gz ZFJOIMBKVUMOMQ-MELADBBJSA-N 2 0 306.416 3.865 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000873245277 1031772746 /nfs/dbraw/zinc/77/27/46/1031772746.db2.gz MQBUAZDQVJJSSL-IUODEOHRSA-N 2 0 308.466 3.730 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(-c2ccccc2F)s1 ZINC000873254132 1031773863 /nfs/dbraw/zinc/77/38/63/1031773863.db2.gz LMHXNFLJMVZLQK-UPJWGTAASA-N 2 0 304.434 3.942 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(SCC(F)(F)F)cc1 ZINC000873255399 1031774729 /nfs/dbraw/zinc/77/47/29/1031774729.db2.gz FUQFSBKVDXOWSR-NQBHXWOUSA-N 2 0 318.408 3.729 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000873256695 1031776862 /nfs/dbraw/zinc/77/68/62/1031776862.db2.gz OWXAGVRWMCECFQ-ACRUOGEOSA-N 2 0 308.469 3.557 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000873258982 1031777112 /nfs/dbraw/zinc/77/71/12/1031777112.db2.gz XLONPPJHFWCQRS-LALPHHSUSA-N 2 0 304.434 3.942 20 0 DHADRP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259444 1031777655 /nfs/dbraw/zinc/77/76/55/1031777655.db2.gz FDEXUUULNVAFKQ-JONQDZQNSA-N 2 0 304.503 3.980 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000873259496 1031777735 /nfs/dbraw/zinc/77/77/35/1031777735.db2.gz FZDFQYDENOXZER-AVRGHOLYSA-N 2 0 323.278 3.630 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c2ccccc12 ZINC000873264859 1031778514 /nfs/dbraw/zinc/77/85/14/1031778514.db2.gz HUKGZDVPINYUQX-HUUCEWRRSA-N 2 0 312.457 3.887 20 0 DHADRP CCC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC)cc1 ZINC000873259866 1031779148 /nfs/dbraw/zinc/77/91/48/1031779148.db2.gz NOZQTFGOHMGCLB-RUENVJTFSA-N 2 0 302.462 3.657 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261701 1031780273 /nfs/dbraw/zinc/78/02/73/1031780273.db2.gz QQNYPFXADBBOGD-NXEZDXNNSA-N 2 0 314.473 3.538 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000873260336 1031780515 /nfs/dbraw/zinc/78/05/15/1031780515.db2.gz YRXIOOSXZDVYOO-AVRGHOLYSA-N 2 0 312.379 3.887 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000873269952 1031781720 /nfs/dbraw/zinc/78/17/20/1031781720.db2.gz NCSGRMIWXXGGPM-UWVGGRQHSA-N 2 0 317.296 3.549 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000873270018 1031781762 /nfs/dbraw/zinc/78/17/62/1031781762.db2.gz WDZYODBGAMSUEA-ZJUUUORDSA-N 2 0 317.296 3.549 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000873269833 1031782540 /nfs/dbraw/zinc/78/25/40/1031782540.db2.gz LFXLXDRAZSRYNE-LRDDRELGSA-N 2 0 312.404 3.717 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873270310 1031782700 /nfs/dbraw/zinc/78/27/00/1031782700.db2.gz ZIXANSDTUQRKOA-OLZOCXBDSA-N 2 0 310.869 3.696 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000873273121 1031784231 /nfs/dbraw/zinc/78/42/31/1031784231.db2.gz YFGUGAPNYWYCLA-MJBXVCDLSA-N 2 0 317.502 3.766 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000873271258 1031784234 /nfs/dbraw/zinc/78/42/34/1031784234.db2.gz GECRZEIBQAQVHT-KKSFZXQISA-N 2 0 324.468 3.762 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000873270692 1031784368 /nfs/dbraw/zinc/78/43/68/1031784368.db2.gz ABZSOYLOFIHMMF-UZGDPCLZSA-N 2 0 312.910 3.871 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273124 1031784763 /nfs/dbraw/zinc/78/47/63/1031784763.db2.gz YFGUGAPNYWYCLA-RDBSUJKOSA-N 2 0 317.502 3.766 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290181 1031789555 /nfs/dbraw/zinc/78/95/55/1031789555.db2.gz OQICNKTXNFBFMT-QFBILLFUSA-N 2 0 316.489 3.619 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000873289644 1031789627 /nfs/dbraw/zinc/78/96/27/1031789627.db2.gz KBTAFGKMLALTOK-UZLBHIALSA-N 2 0 324.468 3.649 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000873289943 1031790528 /nfs/dbraw/zinc/79/05/28/1031790528.db2.gz MMYJFSHYJRNFLH-IRXDYDNUSA-N 2 0 322.880 3.539 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000294138258 1031827683 /nfs/dbraw/zinc/82/76/83/1031827683.db2.gz HGWZPZQUGFDPOB-MRXNPFEDSA-N 2 0 316.489 3.567 20 0 DHADRP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000897969193 1031900008 /nfs/dbraw/zinc/90/00/08/1031900008.db2.gz GHSDDGKILIUWSB-FUHIMQAGSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897967565 1031900737 /nfs/dbraw/zinc/90/07/37/1031900737.db2.gz STYQZKOKRBQZSY-OPYAIIAOSA-N 2 0 323.484 3.513 20 0 DHADRP FC1(F)CCC(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000898031218 1031923178 /nfs/dbraw/zinc/92/31/78/1031923178.db2.gz CKAANTARDCARGZ-UHFFFAOYSA-N 2 0 300.437 3.666 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000846219858 1031934296 /nfs/dbraw/zinc/93/42/96/1031934296.db2.gz ZTCSDUXUQLUMEX-VQTJNVASSA-N 2 0 318.505 3.874 20 0 DHADRP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846221187 1031934446 /nfs/dbraw/zinc/93/44/46/1031934446.db2.gz ICTURADJDJDEIL-SFHVURJKSA-N 2 0 314.477 3.712 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000772947457 1032037948 /nfs/dbraw/zinc/03/79/48/1032037948.db2.gz APQIKNZLJWNIBH-IBGZPJMESA-N 2 0 316.489 3.925 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000105480757 1032042723 /nfs/dbraw/zinc/04/27/23/1032042723.db2.gz WYAQRLULVYIUKC-UWJYYQICSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000044515699 1032050307 /nfs/dbraw/zinc/05/03/07/1032050307.db2.gz XXAPYPLDFBIWFO-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000044515865 1032051114 /nfs/dbraw/zinc/05/11/14/1032051114.db2.gz QXSUBQBOSJZTRM-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534495 1032056477 /nfs/dbraw/zinc/05/64/77/1032056477.db2.gz PYLNMGGJYFWOIC-STQMWFEESA-N 2 0 300.368 3.698 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000924687074 1033299393 /nfs/dbraw/zinc/29/93/93/1033299393.db2.gz NRCXLVKMGMTTTL-HOCLYGCPSA-N 2 0 305.466 3.605 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C[C@@](C)(C[NH3+])C1 ZINC001172647980 1033303132 /nfs/dbraw/zinc/30/31/32/1033303132.db2.gz QFOZQNXTHPZQGK-AUUYWEPGSA-N 2 0 310.526 3.856 20 0 DHADRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172651792 1033304276 /nfs/dbraw/zinc/30/42/76/1033304276.db2.gz IALOOAVPSVINTR-INIZCTEOSA-N 2 0 318.505 3.820 20 0 DHADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172651793 1033305177 /nfs/dbraw/zinc/30/51/77/1033305177.db2.gz IALOOAVPSVINTR-MRXNPFEDSA-N 2 0 318.505 3.820 20 0 DHADRP CC(C)C[N@@H+](C1CC(C)(C)OC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172654092 1033306027 /nfs/dbraw/zinc/30/60/27/1033306027.db2.gz WTLXYXSCGJLMRH-WKILWMFISA-N 2 0 310.526 3.951 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC001172716242 1033324977 /nfs/dbraw/zinc/32/49/77/1033324977.db2.gz PGSUFMDOLLGIMN-FSPWUOQZSA-N 2 0 306.881 3.516 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCS2 ZINC000643522150 1033339248 /nfs/dbraw/zinc/33/92/48/1033339248.db2.gz IVXKEPVKLAIPIL-ZFWWWQNUSA-N 2 0 310.894 3.999 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C[C@@](C)(C[NH3+])C1 ZINC001172709756 1033344193 /nfs/dbraw/zinc/34/41/93/1033344193.db2.gz FFVBJRSKKNKEIB-JENIJYKNSA-N 2 0 320.908 3.941 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2c(C)cccc2C)C1 ZINC000478009631 1033388891 /nfs/dbraw/zinc/38/88/91/1033388891.db2.gz KFUMMTOUIYZPPY-IBGZPJMESA-N 2 0 318.505 3.736 20 0 DHADRP CC[NH+]1C[C@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172825682 1033389920 /nfs/dbraw/zinc/38/99/20/1033389920.db2.gz ZVNHMMXCIHXXEZ-OMYXNUHHSA-N 2 0 312.501 3.671 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc(C3CCC3)s1)CC2 ZINC000877684353 1033410070 /nfs/dbraw/zinc/41/00/70/1033410070.db2.gz NDYBCECJYNRLEK-UHFFFAOYSA-N 2 0 319.518 3.718 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH+]1CCC(C)([NH+]3CCCC3)CC1)CC2 ZINC001172838974 1033410867 /nfs/dbraw/zinc/41/08/67/1033410867.db2.gz NQCBCVJJYCHLHJ-HXUWFJFHSA-N 2 0 312.501 3.803 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C(C)(C)CC[NH+](C)C ZINC001172842079 1033412083 /nfs/dbraw/zinc/41/20/83/1033412083.db2.gz OLVHXHGDWDHPNP-GFCCVEGCSA-N 2 0 300.849 3.730 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000151124690 1033419116 /nfs/dbraw/zinc/41/91/16/1033419116.db2.gz PEHGQXPHHNFRBK-SJLPKXTDSA-N 2 0 314.473 3.754 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000151132877 1033421859 /nfs/dbraw/zinc/42/18/59/1033421859.db2.gz ZYOCIYFBPMVVLD-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP CC(C)(C)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000877734661 1033425746 /nfs/dbraw/zinc/42/57/46/1033425746.db2.gz CWJRKFXEVLRPLL-UHFFFAOYSA-N 2 0 313.445 3.731 20 0 DHADRP Cc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)cc[nH+]1 ZINC000478279772 1033447810 /nfs/dbraw/zinc/44/78/10/1033447810.db2.gz MFIOECGHMVCWKG-UHFFFAOYSA-N 2 0 309.457 3.800 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643534123 1033461834 /nfs/dbraw/zinc/46/18/34/1033461834.db2.gz MEEJFIDEJVQORN-ZFWWWQNUSA-N 2 0 308.878 3.609 20 0 DHADRP C[C@@H]([NH2+]C1(C)CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877834014 1033478299 /nfs/dbraw/zinc/47/82/99/1033478299.db2.gz NVHOCMDICMYYBD-GDBMZVCRSA-N 2 0 308.416 3.674 20 0 DHADRP C[C@H](C[NH2+]C1CCC2(CCOCC2)CC1)CC(C)(C)CC[NH3+] ZINC001173042832 1033508677 /nfs/dbraw/zinc/50/86/77/1033508677.db2.gz NOHDYBLMINLAAB-INIZCTEOSA-N 2 0 310.526 3.717 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)C2CCC3(CCOCC3)CC2)CC1 ZINC001173043488 1033509964 /nfs/dbraw/zinc/50/99/64/1033509964.db2.gz CGZOKXWHTQALPQ-SAABIXHNSA-N 2 0 320.521 3.850 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc12 ZINC000152405775 1033520436 /nfs/dbraw/zinc/52/04/36/1033520436.db2.gz VCAZDSPHQGLLPT-CVEARBPZSA-N 2 0 324.468 3.983 20 0 DHADRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001173076103 1033532736 /nfs/dbraw/zinc/53/27/36/1033532736.db2.gz PFXDTTCYVXFHFJ-LLVKDONJSA-N 2 0 318.383 3.622 20 0 DHADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000877970497 1033534618 /nfs/dbraw/zinc/53/46/18/1033534618.db2.gz PSAMKMSHNXWAFO-WOJBJXKFSA-N 2 0 316.489 3.570 20 0 DHADRP CCC[N@H+](CCC[NH3+])[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084545 1033537893 /nfs/dbraw/zinc/53/78/93/1033537893.db2.gz ZYMGWPRLJSBJOJ-CYBMUJFWSA-N 2 0 318.383 3.577 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(F)cc(F)c2F)CC1 ZINC001173104015 1033539172 /nfs/dbraw/zinc/53/91/72/1033539172.db2.gz CUFMXFNSCSROSZ-UHFFFAOYSA-N 2 0 314.395 3.847 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC001173104047 1033539581 /nfs/dbraw/zinc/53/95/81/1033539581.db2.gz DEVKIFJWKHUZGM-LEOMRAHMSA-N 2 0 302.462 3.753 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)C2CCC(OCCC)CC2)CC1 ZINC001173102342 1033540161 /nfs/dbraw/zinc/54/01/61/1033540161.db2.gz MGTIFCQUTKHQMR-UHFFFAOYSA-N 2 0 310.526 3.921 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2c(F)cc(F)cc2F)CC1 ZINC001173103761 1033540294 /nfs/dbraw/zinc/54/02/94/1033540294.db2.gz RGJNJIUEQDEREU-UHFFFAOYSA-N 2 0 314.395 3.847 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC001173104338 1033542915 /nfs/dbraw/zinc/54/29/15/1033542915.db2.gz IEGTUBKTWOPCJF-UHFFFAOYSA-N 2 0 314.395 3.847 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC001173104436 1033543328 /nfs/dbraw/zinc/54/33/28/1033543328.db2.gz PBJZPKNTCWERQS-TVPLGVNVSA-N 2 0 301.478 3.775 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173110960 1033547946 /nfs/dbraw/zinc/54/79/46/1033547946.db2.gz VTPLEZZEQBIIRR-OFVLBHHSSA-N 3 0 323.569 3.867 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2Cc3cnc(Cl)cc3C2)CC1 ZINC001173117634 1033550927 /nfs/dbraw/zinc/55/09/27/1033550927.db2.gz QEQJSQBYTQBCJX-UHFFFAOYSA-N 2 0 307.869 3.704 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173117610 1033551528 /nfs/dbraw/zinc/55/15/28/1033551528.db2.gz PGGAUVOJLASKSZ-UHFFFAOYSA-N 3 0 323.569 3.836 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878033892 1033561014 /nfs/dbraw/zinc/56/10/14/1033561014.db2.gz BEQFPDSXMGNBHE-WOJBJXKFSA-N 2 0 316.489 3.711 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173197168 1033586276 /nfs/dbraw/zinc/58/62/76/1033586276.db2.gz DLBOXSMKIBXOKR-UHFFFAOYSA-N 2 0 316.489 3.839 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198968 1033590757 /nfs/dbraw/zinc/59/07/57/1033590757.db2.gz NFFWYLAJNXKXKG-NNVNDSJASA-N 2 0 316.489 3.839 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878167531 1033606648 /nfs/dbraw/zinc/60/66/48/1033606648.db2.gz VXTMERVBFUESMM-IHPCNDPISA-N 2 0 316.489 3.570 20 0 DHADRP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3OC)CC2)C1 ZINC001173269721 1033641255 /nfs/dbraw/zinc/64/12/55/1033641255.db2.gz KTAPPINZGWAYEQ-FUHWJXTLSA-N 2 0 316.489 3.610 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001173241037 1033648164 /nfs/dbraw/zinc/64/81/64/1033648164.db2.gz FGRDHDKGEPAVTM-QLIIJSOBSA-N 2 0 300.490 3.785 20 0 DHADRP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C(C)(C)O1 ZINC000878287126 1033649626 /nfs/dbraw/zinc/64/96/26/1033649626.db2.gz XCHWQLUZFUXTCY-JFIYKMOQSA-N 2 0 320.521 3.529 20 0 DHADRP CCSC[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294830 1033653014 /nfs/dbraw/zinc/65/30/14/1033653014.db2.gz ICLQQZKGCHVJLO-SZMVWBNQSA-N 2 0 306.519 3.900 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344940 1033699559 /nfs/dbraw/zinc/69/95/59/1033699559.db2.gz PUFGQMWIYRPZAH-KZNAEPCWSA-N 2 0 320.521 3.850 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173470930 1033756102 /nfs/dbraw/zinc/75/61/02/1033756102.db2.gz BZHJLVASKZGUGZ-CYBMUJFWSA-N 2 0 310.432 3.532 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)CN1C1CC1 ZINC000479430456 1033760231 /nfs/dbraw/zinc/76/02/31/1033760231.db2.gz XOTFPTFCTPCHLG-ZFWWWQNUSA-N 2 0 308.416 3.502 20 0 DHADRP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667494641 1033762784 /nfs/dbraw/zinc/76/27/84/1033762784.db2.gz FZQPOERLVHXCOM-FQEVSTJZSA-N 2 0 318.424 3.913 20 0 DHADRP c1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000667492522 1033764746 /nfs/dbraw/zinc/76/47/46/1033764746.db2.gz LVHAGVWQMHZTBX-LJQANCHMSA-N 2 0 304.397 3.604 20 0 DHADRP C[C@H](C[NH3+])C[N@H+](C)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553578 1033767966 /nfs/dbraw/zinc/76/79/66/1033767966.db2.gz ZVGZILRUQQLIFJ-NEPJUHHUSA-N 2 0 303.277 3.841 20 0 DHADRP Cc1cc2[nH]c(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)cc2c(C)c1 ZINC000479566983 1033817343 /nfs/dbraw/zinc/81/73/43/1033817343.db2.gz FBNYEIDXBZGIIY-KRWDZBQOSA-N 2 0 313.489 3.995 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000862352725 1033825681 /nfs/dbraw/zinc/82/56/81/1033825681.db2.gz LDFXEWNNSUXOFI-CRAIPNDOSA-N 2 0 322.443 3.922 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000879248657 1033964858 /nfs/dbraw/zinc/96/48/58/1033964858.db2.gz SHNXYTJVGHSUEA-UHFFFAOYSA-N 2 0 315.486 3.604 20 0 DHADRP C[C@@]1(CNC(=[NH2+])Nc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000379869077 1033991550 /nfs/dbraw/zinc/99/15/50/1033991550.db2.gz OKFDKLGXKXLKIC-FQEVSTJZSA-N 2 0 322.456 3.535 20 0 DHADRP C[C@H](C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000667589867 1034009420 /nfs/dbraw/zinc/00/94/20/1034009420.db2.gz FNIJGMPWMXDFJW-MRXNPFEDSA-N 2 0 306.413 3.503 20 0 DHADRP CCCCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000127863534 1034054668 /nfs/dbraw/zinc/05/46/68/1034054668.db2.gz PXZQMGUBGPPREB-AZUAARDMSA-N 2 0 317.521 3.534 20 0 DHADRP CCCCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000127862816 1034054903 /nfs/dbraw/zinc/05/49/03/1034054903.db2.gz PXZQMGUBGPPREB-QUCCMNQESA-N 2 0 317.521 3.534 20 0 DHADRP c1cc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000898521369 1034083012 /nfs/dbraw/zinc/08/30/12/1034083012.db2.gz BGCKZYWGVOYIFV-AABGKKOBSA-N 2 0 310.441 3.670 20 0 DHADRP CC(C)C[N@@H+](Cc1cnc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000879704690 1034093648 /nfs/dbraw/zinc/09/36/48/1034093648.db2.gz SXDSAVNKVRQLLG-UHFFFAOYSA-N 2 0 315.914 3.596 20 0 DHADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(SC(F)F)cc1 ZINC000863542612 1034123865 /nfs/dbraw/zinc/12/38/65/1034123865.db2.gz QZHDJFVCWOYBMQ-FZMZJTMJSA-N 2 0 312.429 3.937 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000863556098 1034126860 /nfs/dbraw/zinc/12/68/60/1034126860.db2.gz BAKSWQFJSFPBKK-UHFFFAOYSA-N 2 0 300.368 3.583 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000480242430 1034147219 /nfs/dbraw/zinc/14/72/19/1034147219.db2.gz PXXRYSCMDFTTOJ-GQIGUUNPSA-N 2 0 316.489 3.574 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2)c1 ZINC000177298125 1034149804 /nfs/dbraw/zinc/14/98/04/1034149804.db2.gz ZUUDJBOTBCZWSS-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP Cc1ccc(C[C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000554584908 1034230716 /nfs/dbraw/zinc/23/07/16/1034230716.db2.gz SMCPPWXESNSCBV-HXUWFJFHSA-N 2 0 300.490 3.735 20 0 DHADRP C[C@H](c1ccco1)[N@H+](C)CCOCC[NH+](C)[C@@H](C)c1ccco1 ZINC000178613662 1034252492 /nfs/dbraw/zinc/25/24/92/1034252492.db2.gz GNCLQWQJFUIVEA-IYBDPMFKSA-N 2 0 320.433 3.575 20 0 DHADRP c1ccc(CCCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000480558809 1034315823 /nfs/dbraw/zinc/31/58/23/1034315823.db2.gz SUYOXROPGQPRCA-FQEVSTJZSA-N 2 0 300.490 3.960 20 0 DHADRP C[NH+](C)Cc1cccc(NC2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001174396616 1034322034 /nfs/dbraw/zinc/32/20/34/1034322034.db2.gz KEDMFNNLFGBTHG-UHFFFAOYSA-N 2 0 321.468 3.950 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000480611479 1034338360 /nfs/dbraw/zinc/33/83/60/1034338360.db2.gz KUTORLVYFHSXJW-JKSUJKDBSA-N 2 0 322.468 3.997 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183186711 1034359700 /nfs/dbraw/zinc/35/97/00/1034359700.db2.gz IFDGSNBLKCYBFO-XYJFISCASA-N 2 0 316.489 3.999 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480698859 1034409141 /nfs/dbraw/zinc/40/91/41/1034409141.db2.gz NPPJNXAILRXMAL-HBUWYVDXSA-N 2 0 310.432 3.606 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)C)cc1 ZINC000480744938 1034434187 /nfs/dbraw/zinc/43/41/87/1034434187.db2.gz ZZJOHNOADJUYKU-UFYCRDLUSA-N 2 0 300.490 3.779 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000480770039 1034437230 /nfs/dbraw/zinc/43/72/30/1034437230.db2.gz RANHZDBMWIGQQQ-GFCCVEGCSA-N 2 0 319.276 3.612 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000554991383 1034450856 /nfs/dbraw/zinc/45/08/56/1034450856.db2.gz LQDIOTQPCSOHQO-WSTZPKSXSA-N 2 0 317.521 3.532 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000184249275 1034457719 /nfs/dbraw/zinc/45/77/19/1034457719.db2.gz AELYIAQRSXCCHB-KRWDZBQOSA-N 2 0 309.457 3.705 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000184498613 1034482062 /nfs/dbraw/zinc/48/20/62/1034482062.db2.gz YDHKYAYPTUTJNY-HZPDHXFCSA-N 2 0 317.477 3.560 20 0 DHADRP Cc1cc(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)cc[nH+]1 ZINC001174660217 1034559888 /nfs/dbraw/zinc/55/98/88/1034559888.db2.gz KUNNNSCDWWEHRV-NRFANRHFSA-N 2 0 321.468 3.899 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481026883 1034559848 /nfs/dbraw/zinc/55/98/48/1034559848.db2.gz USUDYNHQRXQPLR-UXHICEINSA-N 2 0 302.506 3.884 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000481055976 1034570654 /nfs/dbraw/zinc/57/06/54/1034570654.db2.gz UWYYAJQTNVDPHF-PKOBYXMFSA-N 2 0 306.469 3.714 20 0 DHADRP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C(C)(C)C ZINC000865416531 1034637100 /nfs/dbraw/zinc/63/71/00/1034637100.db2.gz BNWIKRHKYBDKHY-DLBZAZTESA-N 2 0 316.489 3.709 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCCOc2ccccc2)C1 ZINC000187399182 1034706444 /nfs/dbraw/zinc/70/64/44/1034706444.db2.gz VGZHXSYWROVSHU-GOSISDBHSA-N 2 0 304.478 3.509 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000187387762 1034706661 /nfs/dbraw/zinc/70/66/61/1034706661.db2.gz VFIKHYRHWMUFIH-GOSISDBHSA-N 2 0 311.473 3.707 20 0 DHADRP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000187714466 1034728219 /nfs/dbraw/zinc/72/82/19/1034728219.db2.gz SATWEFAXYOQYPM-KRWDZBQOSA-N 2 0 324.472 3.622 20 0 DHADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000192475093 1034804106 /nfs/dbraw/zinc/80/41/06/1034804106.db2.gz VCXYKKGGVURINH-SQGPQFPESA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000192519715 1034808001 /nfs/dbraw/zinc/80/80/01/1034808001.db2.gz UDBUHWHQDIIVEL-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP COCC[N@H+](CCC1C[C@H](C)C[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC001175203797 1034846976 /nfs/dbraw/zinc/84/69/76/1034846976.db2.gz VGEKRVYOCWBNCQ-QZTJIDSGSA-N 2 0 324.553 3.739 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)N[C@@H](C)CC[NH+](C)C)c1 ZINC000481963496 1035040578 /nfs/dbraw/zinc/04/05/78/1035040578.db2.gz RAQMBSXHJYPIJR-STQMWFEESA-N 2 0 300.393 3.587 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)N[C@H](C)CC[NH+](C)C)c1 ZINC000481963493 1035041697 /nfs/dbraw/zinc/04/16/97/1035041697.db2.gz RAQMBSXHJYPIJR-CHWSQXEVSA-N 2 0 300.393 3.587 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000482078684 1035056845 /nfs/dbraw/zinc/05/68/45/1035056845.db2.gz GSZRXGMJOSYKTO-GGXPGOJBSA-N 2 0 304.453 3.782 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)C(C)(C)C ZINC000482217187 1035067287 /nfs/dbraw/zinc/06/72/87/1035067287.db2.gz FITLPYSIGNDVPH-IBGZPJMESA-N 2 0 318.505 3.510 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482239407 1035071860 /nfs/dbraw/zinc/07/18/60/1035071860.db2.gz NYBCMTZUCNHOGK-UHFFFAOYSA-N 2 0 313.272 3.778 20 0 DHADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)C(F)(F)F ZINC000482313569 1035082840 /nfs/dbraw/zinc/08/28/40/1035082840.db2.gz VFDGKKZAYGBZQG-YCPHGPKFSA-N 2 0 314.395 3.685 20 0 DHADRP CC(C)CSCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000158588563 1035100763 /nfs/dbraw/zinc/10/07/63/1035100763.db2.gz BNMHUOMQYROQBO-AEFFLSMTSA-N 2 0 310.551 3.714 20 0 DHADRP COc1cc(Cl)ccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000482711202 1035166821 /nfs/dbraw/zinc/16/68/21/1035166821.db2.gz WKMOVSNJKWHFRR-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830171 1035184842 /nfs/dbraw/zinc/18/48/42/1035184842.db2.gz VEWLKZILOCLWHA-BBRMVZONSA-N 2 0 310.869 3.511 20 0 DHADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000668169343 1035203235 /nfs/dbraw/zinc/20/32/35/1035203235.db2.gz OPEFWKUZVHWHID-LJQANCHMSA-N 2 0 316.489 3.557 20 0 DHADRP CCOc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924783071 1035218446 /nfs/dbraw/zinc/21/84/46/1035218446.db2.gz DHQMZCJNFCMENI-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1Cl ZINC000194590024 1035222294 /nfs/dbraw/zinc/22/22/94/1035222294.db2.gz JLQNIYQTKQGCGE-OAHLLOKOSA-N 2 0 317.864 3.837 20 0 DHADRP Cc1cc(Nc2ccc(OCC[NH+](C)C)cc2)c2ccccc2[nH+]1 ZINC001176222782 1035226172 /nfs/dbraw/zinc/22/61/72/1035226172.db2.gz PVSPHHLOVVECOP-UHFFFAOYSA-N 2 0 321.424 3.649 20 0 DHADRP CCc1ccc(CC[NH+]2CCC(CC)([NH+]3CCC3)CC2)cc1 ZINC001176234624 1035229268 /nfs/dbraw/zinc/22/92/68/1035229268.db2.gz GKDOUYVHIDQTGI-UHFFFAOYSA-N 2 0 300.490 3.742 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000483178503 1035236551 /nfs/dbraw/zinc/23/65/51/1035236551.db2.gz AIYOEMSUWAHRHJ-DYVFJYSZSA-N 2 0 310.457 3.851 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000192921084 1035239683 /nfs/dbraw/zinc/23/96/83/1035239683.db2.gz JVKNPHQSTXDTGU-CVEARBPZSA-N 2 0 304.478 3.783 20 0 DHADRP C[C@]1(c2ccc(F)cc2)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000483425719 1035268763 /nfs/dbraw/zinc/26/87/63/1035268763.db2.gz ZECZGEJBTMBXBO-IBGZPJMESA-N 2 0 304.453 3.665 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2)cc1 ZINC000065275164 1035280676 /nfs/dbraw/zinc/28/06/76/1035280676.db2.gz MLCOQLOILGGPSH-UHFFFAOYSA-N 2 0 312.457 3.652 20 0 DHADRP CN1CCC[C@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924791815 1035324611 /nfs/dbraw/zinc/32/46/11/1035324611.db2.gz RAIIMXBVJHHVSU-NSHDSACASA-N 2 0 320.321 3.724 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000484500884 1035347538 /nfs/dbraw/zinc/34/75/38/1035347538.db2.gz ICQGTZVEGVETHJ-DYESRHJHSA-N 2 0 308.469 3.826 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001206292871 1035348615 /nfs/dbraw/zinc/34/86/15/1035348615.db2.gz DSPROTTULXLMBL-INIZCTEOSA-N 2 0 314.395 3.699 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CC(C)C)CCC2)[C@H](C)C1 ZINC000484509749 1035350875 /nfs/dbraw/zinc/35/08/75/1035350875.db2.gz TWERDOXYIXBKDZ-MOPGFXCFSA-N 2 0 324.553 3.929 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC001206296898 1035356961 /nfs/dbraw/zinc/35/69/61/1035356961.db2.gz VHVDKHSIAJOAGG-HNNXBMFYSA-N 2 0 301.261 3.944 20 0 DHADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc2cccnc12 ZINC001177231457 1035357877 /nfs/dbraw/zinc/35/78/77/1035357877.db2.gz QZGOLDAUCPDLMZ-UHFFFAOYSA-N 2 0 319.452 3.895 20 0 DHADRP COCC[N@H+](C)CCC[NH2+]C1CCC(C2CCCCC2)CC1 ZINC001177245237 1035359568 /nfs/dbraw/zinc/35/95/68/1035359568.db2.gz NFFNLDRNHITNPL-UHFFFAOYSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@@H](C)C3)cc2)C1 ZINC001177257259 1035360315 /nfs/dbraw/zinc/36/03/15/1035360315.db2.gz UATUOJFLEWGSJD-UWVAXJGDSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1Cc2cc(C[NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)ccc2O1 ZINC001177299073 1035360931 /nfs/dbraw/zinc/36/09/31/1035360931.db2.gz JZNCQSVGEAWTRU-DLBZAZTESA-N 2 0 316.489 3.754 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001206304226 1035372820 /nfs/dbraw/zinc/37/28/20/1035372820.db2.gz HUPVLQAHGUNHIT-HNNXBMFYSA-N 2 0 318.358 3.795 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC001177742378 1035390718 /nfs/dbraw/zinc/39/07/18/1035390718.db2.gz HXLPQJDIONMBCL-GOSISDBHSA-N 2 0 318.505 3.994 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)s2)[C@H](C)C1 ZINC001177844463 1035394970 /nfs/dbraw/zinc/39/49/70/1035394970.db2.gz QZPSBOCMEKAMDA-CRAIPNDOSA-N 2 0 324.534 3.537 20 0 DHADRP Fc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1C(F)F ZINC000904296944 1035396157 /nfs/dbraw/zinc/39/61/57/1035396157.db2.gz DBGFTCJIUZETQV-CJNGLKHVSA-N 2 0 312.379 3.727 20 0 DHADRP Fc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1C(F)F ZINC000904296945 1035396463 /nfs/dbraw/zinc/39/64/63/1035396463.db2.gz DBGFTCJIUZETQV-CZUORRHYSA-N 2 0 312.379 3.727 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000904340561 1035401624 /nfs/dbraw/zinc/40/16/24/1035401624.db2.gz JCDJAWZBJLKCCT-MAZHCROVSA-N 2 0 312.379 3.970 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)C1 ZINC000904368211 1035405611 /nfs/dbraw/zinc/40/56/11/1035405611.db2.gz ODWPBTQONYFEDH-FAIOCQOHSA-N 2 0 318.464 3.611 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904404827 1035410503 /nfs/dbraw/zinc/41/05/03/1035410503.db2.gz GCAIXZPNGJQBCR-KRWDZBQOSA-N 2 0 310.441 3.533 20 0 DHADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000904406209 1035410546 /nfs/dbraw/zinc/41/05/46/1035410546.db2.gz UMTICGDRQKEUIN-JTQLQIEISA-N 2 0 306.759 3.530 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001178249972 1035416124 /nfs/dbraw/zinc/41/61/24/1035416124.db2.gz YSXKKTFUTPEVNI-OEPRFQHASA-N 2 0 316.489 3.666 20 0 DHADRP Cc1cccnc1[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000904470494 1035418026 /nfs/dbraw/zinc/41/80/26/1035418026.db2.gz YDHTWHOQOLJZCB-YCXXCVGLSA-N 2 0 301.478 3.597 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(SC)cc2)C[C@@H]1C ZINC000484925124 1035424169 /nfs/dbraw/zinc/42/41/69/1035424169.db2.gz YQGFHWNOTJGDSK-HOTGVXAUSA-N 2 0 322.518 3.592 20 0 DHADRP CC(C)(C)Oc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC001178605348 1035439479 /nfs/dbraw/zinc/43/94/79/1035439479.db2.gz IBXNGCBOQXMPGT-UHFFFAOYSA-N 2 0 316.489 3.828 20 0 DHADRP Cc1c(C)c(C)c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(C)c1C ZINC001206361089 1035460468 /nfs/dbraw/zinc/46/04/68/1035460468.db2.gz FZDRIQANBPVQLO-LJQANCHMSA-N 2 0 306.469 3.882 20 0 DHADRP C([NH2+]C1CC2(C1)CCCCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000668440466 1035482837 /nfs/dbraw/zinc/48/28/37/1035482837.db2.gz MUILBTHBIMIBDS-UHFFFAOYSA-N 2 0 320.521 3.580 20 0 DHADRP CC[C@@H]1CCC[C@@H](C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001179636387 1035489189 /nfs/dbraw/zinc/48/91/89/1035489189.db2.gz DTWPQFDLMWOLDJ-ZHALLVOQSA-N 2 0 303.494 3.880 20 0 DHADRP c1ccc2c(c1)CO[C@H]2C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001179798634 1035504905 /nfs/dbraw/zinc/50/49/05/1035504905.db2.gz BSHPOGGLHMPPOB-FQEVSTJZSA-N 2 0 314.473 3.645 20 0 DHADRP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001179878425 1035529127 /nfs/dbraw/zinc/52/91/27/1035529127.db2.gz QAPCTJDNJWJKDX-PMACEKPBSA-N 2 0 300.490 3.905 20 0 DHADRP Cc1ccc([C@@H](CC(F)(F)F)[NH2+]CCCn2ccnc2)cc1 ZINC001193071675 1035549125 /nfs/dbraw/zinc/54/91/25/1035549125.db2.gz YCQFFWWUCQLVDS-OAHLLOKOSA-N 2 0 311.351 3.865 20 0 DHADRP CCCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1C ZINC001179997487 1035556956 /nfs/dbraw/zinc/55/69/56/1035556956.db2.gz NTKOZOQGXAZKIA-SFHVURJKSA-N 2 0 304.478 3.557 20 0 DHADRP COC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC000775562381 1035559552 /nfs/dbraw/zinc/55/95/52/1035559552.db2.gz IWPUZRXWRPKNNY-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP C[C@H](c1nccc2ccccc21)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001180082992 1035591343 /nfs/dbraw/zinc/59/13/43/1035591343.db2.gz VKPXVWCOIIFBNJ-SJLPKXTDSA-N 2 0 323.484 3.960 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191311641 1035678088 /nfs/dbraw/zinc/67/80/88/1035678088.db2.gz WWWVVKZUYPPEMS-HNNXBMFYSA-N 2 0 306.498 3.545 20 0 DHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001180673750 1035738654 /nfs/dbraw/zinc/73/86/54/1035738654.db2.gz QOJYRHLWPVHHGI-MRXNPFEDSA-N 2 0 306.469 3.858 20 0 DHADRP COCCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC001180742197 1035752827 /nfs/dbraw/zinc/75/28/27/1035752827.db2.gz WPBVRULUKJQJLW-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)CC1 ZINC001180839794 1035767654 /nfs/dbraw/zinc/76/76/54/1035767654.db2.gz ZTZSTYJRWVRESE-JXFKEZNVSA-N 2 0 316.489 3.810 20 0 DHADRP c1cc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)ccc1C[NH+]1CCCCC1 ZINC000906154041 1035779941 /nfs/dbraw/zinc/77/99/41/1035779941.db2.gz ZVMOQDNGQSBHON-IBGZPJMESA-N 2 0 322.456 3.554 20 0 DHADRP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)c1 ZINC000906157630 1035780371 /nfs/dbraw/zinc/78/03/71/1035780371.db2.gz FYQMGNRAXIEKNN-KXBFYZLASA-N 2 0 322.456 3.552 20 0 DHADRP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)c1 ZINC000906157628 1035781281 /nfs/dbraw/zinc/78/12/81/1035781281.db2.gz FYQMGNRAXIEKNN-HNAYVOBHSA-N 2 0 322.456 3.552 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400982045 1035856038 /nfs/dbraw/zinc/85/60/38/1035856038.db2.gz SHTHSOJWBDLJJQ-DZOHQFGASA-N 2 0 302.462 3.513 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539851439 1035905354 /nfs/dbraw/zinc/90/53/54/1035905354.db2.gz VCHQSPMLKXKWHW-IBGZPJMESA-N 2 0 300.490 3.974 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000539980429 1035946797 /nfs/dbraw/zinc/94/67/97/1035946797.db2.gz LXOYFCOTOORAJR-YSIASYRMSA-N 2 0 324.553 3.950 20 0 DHADRP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC001181674137 1035963209 /nfs/dbraw/zinc/96/32/09/1035963209.db2.gz OEHYAWYMZNCMRX-QFBILLFUSA-N 2 0 316.489 3.810 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)[C@@H](C)C1 ZINC000540183957 1036001303 /nfs/dbraw/zinc/00/13/03/1036001303.db2.gz LVVPGWXULNTGEG-LPHOPBHVSA-N 2 0 318.505 3.683 20 0 DHADRP Cc1cc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261983 1036024102 /nfs/dbraw/zinc/02/41/02/1036024102.db2.gz UPIQQPCPEPXDJC-LIRRHRJNSA-N 2 0 302.437 3.659 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC001181971504 1036075548 /nfs/dbraw/zinc/07/55/48/1036075548.db2.gz LDZJXBDZIMNLSD-MRXNPFEDSA-N 2 0 318.530 3.976 20 0 DHADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000540596399 1036107727 /nfs/dbraw/zinc/10/77/27/1036107727.db2.gz UQSSHKUSNHJXKN-RCCFBDPRSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001182250077 1036148648 /nfs/dbraw/zinc/14/86/48/1036148648.db2.gz IHSAWOMGPISCPG-QZTJIDSGSA-N 2 0 314.517 3.818 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C3CC(OC(C)(C)C)C3)CC2)CC1 ZINC000494966947 1036158961 /nfs/dbraw/zinc/15/89/61/1036158961.db2.gz CPHLWNDOWXUENM-UHFFFAOYSA-N 2 0 322.537 3.965 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000495061905 1036218027 /nfs/dbraw/zinc/21/80/27/1036218027.db2.gz UXKPQQSQYCLQHJ-DSJDWBEOSA-N 2 0 300.490 3.921 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC001182544243 1036382895 /nfs/dbraw/zinc/38/28/95/1036382895.db2.gz QCPQYUKXPWKBAX-CGXNFDGLSA-N 2 0 312.501 3.890 20 0 DHADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001182545420 1036384370 /nfs/dbraw/zinc/38/43/70/1036384370.db2.gz WHHOXGHWJGQBPT-FUMNGEBKSA-N 2 0 300.490 3.890 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001182712492 1036432935 /nfs/dbraw/zinc/43/29/35/1036432935.db2.gz ANSGWRQJUWCCPG-MOPGFXCFSA-N 2 0 318.505 3.800 20 0 DHADRP CCC1([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000541908959 1036458072 /nfs/dbraw/zinc/45/80/72/1036458072.db2.gz YCOSPXZXGMVZPS-WMZOPIPTSA-N 2 0 308.510 3.578 20 0 DHADRP CCOc1c(Cl)cccc1CNC1CC[NH+](CC2CC2)CC1 ZINC000486935679 1036475874 /nfs/dbraw/zinc/47/58/74/1036475874.db2.gz LVHYGRLVYRPTMD-UHFFFAOYSA-N 2 0 322.880 3.703 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC001183146241 1036525844 /nfs/dbraw/zinc/52/58/44/1036525844.db2.gz ROYCQAWKOCNUDU-VQTJNVASSA-N 2 0 300.490 3.890 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccccc2Cl)[C@@H](C)C1 ZINC000542209971 1036532490 /nfs/dbraw/zinc/53/24/90/1036532490.db2.gz QQLOFZABZZIKRC-YJBOKZPZSA-N 2 0 308.897 3.935 20 0 DHADRP C[C@@]1([NH3+])CCC[N@H+](CCCCCOCc2ccccc2)CC1 ZINC001205257876 1036546734 /nfs/dbraw/zinc/54/67/34/1036546734.db2.gz XZUVUEMLMRNZNF-LJQANCHMSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000495407950 1036615370 /nfs/dbraw/zinc/61/53/70/1036615370.db2.gz KJBCQMRYEDPIRT-MJGOQNOKSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000487273882 1036631543 /nfs/dbraw/zinc/63/15/43/1036631543.db2.gz NTKKRMSGQUIRLN-WDSOQIARSA-N 2 0 300.490 3.575 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487274978 1036634367 /nfs/dbraw/zinc/63/43/67/1036634367.db2.gz PAJKKGXANSEYKL-AWTIPJNISA-N 2 0 301.478 3.585 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccncc2)CCN1Cc1ccccc1 ZINC000487304916 1036655158 /nfs/dbraw/zinc/65/51/58/1036655158.db2.gz BCYDOAXNNSYKDX-HGGRVWGASA-N 2 0 321.468 3.738 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001196942589 1036656177 /nfs/dbraw/zinc/65/61/77/1036656177.db2.gz FTSBNWHSLGNWDP-XUVXKRRUSA-N 2 0 320.521 3.530 20 0 DHADRP CC(C)C[N@H+](C[C@@H]1CCC2(CCCC2)O1)CC1CC[NH+](C)CC1 ZINC001197194928 1036705564 /nfs/dbraw/zinc/70/55/64/1036705564.db2.gz YHNVMXCAHDUDIG-IBGZPJMESA-N 2 0 322.537 3.778 20 0 DHADRP C[C@]1([NH3+])CCC[N@H+](Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001205289117 1036735091 /nfs/dbraw/zinc/73/50/91/1036735091.db2.gz SUWMSPWTOABTQH-KRWDZBQOSA-N 2 0 303.837 3.592 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001184135921 1036748108 /nfs/dbraw/zinc/74/81/08/1036748108.db2.gz XMBNZTMMZVXCFL-XBMUEBEBSA-N 2 0 318.892 3.804 20 0 DHADRP C[C@H]1C[N@H+](CCC2CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001197376853 1036770318 /nfs/dbraw/zinc/77/03/18/1036770318.db2.gz IILZUIGSTUIZFP-KRWDZBQOSA-N 2 0 301.478 3.953 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000668818982 1036834173 /nfs/dbraw/zinc/83/41/73/1036834173.db2.gz MFLWVILAAIQPPL-GDBMZVCRSA-N 2 0 322.443 3.780 20 0 DHADRP C[C@H]1C[C@H](CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)C[C@@H](C)C1 ZINC001197738229 1036862955 /nfs/dbraw/zinc/86/29/55/1036862955.db2.gz FTAWZEYLYZFERL-PIIMJCKOSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)[NH+]1CCC(NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000236599406 1036969310 /nfs/dbraw/zinc/96/93/10/1036969310.db2.gz ZQVFVIQWPIEZLJ-UHFFFAOYSA-N 2 0 321.553 3.638 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488428734 1037014065 /nfs/dbraw/zinc/01/40/65/1037014065.db2.gz DLBRGXJJEBMTLQ-ROUUACIJSA-N 2 0 310.551 3.761 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000237505066 1037015373 /nfs/dbraw/zinc/01/53/73/1037015373.db2.gz VHRLFDSMKIPZLM-GTPINHCMSA-N 2 0 304.453 3.926 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000237504976 1037015882 /nfs/dbraw/zinc/01/58/82/1037015882.db2.gz HCZKCYKMQCLJTC-DMKPSLHHSA-N 2 0 304.453 3.926 20 0 DHADRP CCc1cc(C[NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)on1 ZINC001203227210 1037049464 /nfs/dbraw/zinc/04/94/64/1037049464.db2.gz AMLGANNXFPKRLA-UHFFFAOYSA-N 2 0 319.493 3.571 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCCC2 ZINC000316132139 1037071612 /nfs/dbraw/zinc/07/16/12/1037071612.db2.gz OZIOYZDMGLDQOP-HOTGVXAUSA-N 2 0 308.510 3.623 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CS1 ZINC000488587181 1037083940 /nfs/dbraw/zinc/08/39/40/1037083940.db2.gz YAORRBPWPRNPEG-CBZIJGRNSA-N 2 0 310.551 3.759 20 0 DHADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)COC1CCCCC1 ZINC000316351953 1037087653 /nfs/dbraw/zinc/08/76/53/1037087653.db2.gz JFUGUCQCXQWCSB-GBESFXJTSA-N 2 0 308.510 3.626 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000309949318 1037195587 /nfs/dbraw/zinc/19/55/87/1037195587.db2.gz FIAPBCZYMWFPDJ-MOPGFXCFSA-N 2 0 318.530 3.774 20 0 DHADRP c1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000309973774 1037199435 /nfs/dbraw/zinc/19/94/35/1037199435.db2.gz PLYQLKAAINSFOQ-ROUUACIJSA-N 2 0 312.482 3.702 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310003467 1037203156 /nfs/dbraw/zinc/20/31/56/1037203156.db2.gz GINOZPZHPFTDHN-NEWSRXKRSA-N 2 0 318.530 3.630 20 0 DHADRP FC(F)Sc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001199197050 1037213910 /nfs/dbraw/zinc/21/39/10/1037213910.db2.gz FAPAEYLTZYXVQA-ZDUSSCGKSA-N 2 0 312.429 3.575 20 0 DHADRP COc1ccc(Cl)cc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001199220122 1037219730 /nfs/dbraw/zinc/21/97/30/1037219730.db2.gz VGAAHPGVGMCUDU-UHFFFAOYSA-N 2 0 318.848 3.700 20 0 DHADRP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000322580982 1037221491 /nfs/dbraw/zinc/22/14/91/1037221491.db2.gz HQVXLRKQLREKJA-IRXDYDNUSA-N 2 0 310.441 3.565 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc3c2CCC3)C1 ZINC001199344496 1037241373 /nfs/dbraw/zinc/24/13/73/1037241373.db2.gz JWKKBPKOODYZSM-QGZVFWFLSA-N 2 0 300.490 3.777 20 0 DHADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC001199344323 1037242652 /nfs/dbraw/zinc/24/26/52/1037242652.db2.gz FWWQKRIHCWBXQI-MRXNPFEDSA-N 2 0 304.478 3.605 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000493205629 1037254004 /nfs/dbraw/zinc/25/40/04/1037254004.db2.gz OFZYJSPPYAGQET-RYRKJORJSA-N 2 0 306.519 3.876 20 0 DHADRP COc1ccccc1/C=C\CNC1CC[NH+](C(C)(C)C)CC1 ZINC001199420082 1037257575 /nfs/dbraw/zinc/25/75/75/1037257575.db2.gz GXIFOOJERYSCPK-CLFYSBASSA-N 2 0 302.462 3.561 20 0 DHADRP CSCc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001199581706 1037284683 /nfs/dbraw/zinc/28/46/83/1037284683.db2.gz IZYDNUUQZKXUNG-INIZCTEOSA-N 2 0 306.519 3.761 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC000178258327 1037304802 /nfs/dbraw/zinc/30/48/02/1037304802.db2.gz BSOPOUKOXIELJN-NRFANRHFSA-N 2 0 312.501 3.780 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000669847131 1037322923 /nfs/dbraw/zinc/32/29/23/1037322923.db2.gz YRDYSORTLIWQDL-CQSZACIVSA-N 2 0 310.432 3.607 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000054317150 1037332773 /nfs/dbraw/zinc/33/27/73/1037332773.db2.gz RTUOMDDQARZWDK-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000489567893 1037488777 /nfs/dbraw/zinc/48/87/77/1037488777.db2.gz JKCFETUZAHBPJY-LJQANCHMSA-N 2 0 316.489 3.711 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000398052556 1037587613 /nfs/dbraw/zinc/58/76/13/1037587613.db2.gz YHXGBGSOZZSPFV-KBAYOESNSA-N 2 0 322.443 3.922 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000776164322 1037633385 /nfs/dbraw/zinc/63/33/85/1037633385.db2.gz YVXPRFCSEFZKTK-ZGUYJTEBSA-N 2 0 308.510 3.577 20 0 DHADRP CCCc1csc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000494173156 1037660532 /nfs/dbraw/zinc/66/05/32/1037660532.db2.gz OWXXCQRMDAOWNI-HNNXBMFYSA-N 2 0 309.523 3.553 20 0 DHADRP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000490408230 1037705163 /nfs/dbraw/zinc/70/51/63/1037705163.db2.gz IEJZIZSDHLGNTG-INIZCTEOSA-N 2 0 300.490 3.900 20 0 DHADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201520545 1037764241 /nfs/dbraw/zinc/76/42/41/1037764241.db2.gz CRDFVPXUKSPQMB-YSIASYRMSA-N 2 0 300.490 3.877 20 0 DHADRP CC(C)CC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201631728 1037802010 /nfs/dbraw/zinc/80/20/10/1037802010.db2.gz ZHYCCFFFYAAROY-VQTJNVASSA-N 2 0 300.490 3.877 20 0 DHADRP CSCCC[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001201681221 1037828928 /nfs/dbraw/zinc/82/89/28/1037828928.db2.gz UADURIPMVCUZDZ-QGZVFWFLSA-N 2 0 322.518 3.709 20 0 DHADRP CCC[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001201647273 1037835256 /nfs/dbraw/zinc/83/52/56/1037835256.db2.gz GNSNHRQPSMKFHU-UHFFFAOYSA-N 2 0 316.489 3.542 20 0 DHADRP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](CCCc2ccccc2)C3)c1 ZINC001201661676 1037838691 /nfs/dbraw/zinc/83/86/91/1037838691.db2.gz CHFWFXOOUOLMHU-BGYRXZFFSA-N 2 0 324.468 3.666 20 0 DHADRP CSCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001201691694 1037862414 /nfs/dbraw/zinc/86/24/14/1037862414.db2.gz BGZQAWGDGZBJMG-UHFFFAOYSA-N 2 0 306.519 3.584 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000125421505 1037939226 /nfs/dbraw/zinc/93/92/26/1037939226.db2.gz JXROJWLDUZWFHP-JXFKEZNVSA-N 2 0 312.457 3.539 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000125795989 1037959275 /nfs/dbraw/zinc/95/92/75/1037959275.db2.gz IQBIENKKSZQWOP-GJZGRUSLSA-N 2 0 308.441 3.605 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187645054 1037983773 /nfs/dbraw/zinc/98/37/73/1037983773.db2.gz FAGLPXFUFBUPQS-UONOGXRCSA-N 2 0 305.853 3.874 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000126198649 1038046076 /nfs/dbraw/zinc/04/60/76/1038046076.db2.gz SGAQARCZDRJFOD-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000126288517 1038054679 /nfs/dbraw/zinc/05/46/79/1038054679.db2.gz SETHCKAEQKCCJP-KGLIPLIRSA-N 2 0 317.502 3.720 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CC=CC2)ccc1OC ZINC000775401684 1038360052 /nfs/dbraw/zinc/36/00/52/1038360052.db2.gz RDKCXPKBRBFGFB-OAHLLOKOSA-N 2 0 302.462 3.906 20 0 DHADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001205537914 1038369442 /nfs/dbraw/zinc/36/94/42/1038369442.db2.gz KODIVLOARDVLAG-UAGQMJEPSA-N 2 0 310.844 3.596 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2(C)CC2)ccc1OC ZINC000775412746 1038384270 /nfs/dbraw/zinc/38/42/70/1038384270.db2.gz PIFMDKBKYKMRGP-HNNXBMFYSA-N 2 0 304.478 3.988 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccsc1 ZINC000760712683 1038400332 /nfs/dbraw/zinc/40/03/32/1038400332.db2.gz IWPSYXXOLSGJRP-MNZLEMJZSA-N 2 0 314.498 3.994 20 0 DHADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001191070942 1038430552 /nfs/dbraw/zinc/43/05/52/1038430552.db2.gz QWCCLBGYBFGHLG-UYAOXDASSA-N 2 0 316.489 3.572 20 0 DHADRP Clc1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC001191101217 1038438695 /nfs/dbraw/zinc/43/86/95/1038438695.db2.gz VDPOMPDZIDPMNI-GOSISDBHSA-N 2 0 306.881 3.833 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000589637789 1038525674 /nfs/dbraw/zinc/52/56/74/1038525674.db2.gz AMMHXZWAAJWTTE-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000589641616 1038527738 /nfs/dbraw/zinc/52/77/38/1038527738.db2.gz RYFJEMREZUBQGZ-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC001192261984 1038615639 /nfs/dbraw/zinc/61/56/39/1038615639.db2.gz OKCNLGHWDWADNH-INIZCTEOSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399425 1038624854 /nfs/dbraw/zinc/62/48/54/1038624854.db2.gz AWGVNBJZDYNRSL-YRNRMSPPSA-N 2 0 318.480 3.641 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001192325904 1038630826 /nfs/dbraw/zinc/63/08/26/1038630826.db2.gz QNBFJPRIXWWGBJ-UHFFFAOYSA-N 2 0 312.542 3.883 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603987 1038683917 /nfs/dbraw/zinc/68/39/17/1038683917.db2.gz SXRJOCAQNBKQDZ-QWHCGFSZSA-N 2 0 300.368 3.512 20 0 DHADRP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccccc12)c1ccc(F)cc1 ZINC000599532826 1039200589 /nfs/dbraw/zinc/20/05/89/1039200589.db2.gz XDXZLJWCQRXDNO-IBGZPJMESA-N 2 0 309.388 3.511 20 0 DHADRP CC(C)(C)[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000592495865 1039214552 /nfs/dbraw/zinc/21/45/52/1039214552.db2.gz SYWVERFSXQEZGS-WFASDCNBSA-N 2 0 314.395 3.992 20 0 DHADRP C[N@@H+](Cc1sc2ccccc2c1Cl)CC1CC[NH2+]CC1 ZINC000094024539 1039917120 /nfs/dbraw/zinc/91/71/20/1039917120.db2.gz GAKFNBAZYWGNFT-UHFFFAOYSA-N 2 0 308.878 3.986 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705603 1039944760 /nfs/dbraw/zinc/94/47/60/1039944760.db2.gz KXSNBNQYZRHZQZ-GFCCVEGCSA-N 2 0 302.384 3.704 20 0 DHADRP C[C@@H](CSCCF)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000595005451 1040016809 /nfs/dbraw/zinc/01/68/09/1040016809.db2.gz ZJZWQBWGWXOYEP-INIZCTEOSA-N 2 0 324.509 3.853 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000595100610 1040064419 /nfs/dbraw/zinc/06/44/19/1040064419.db2.gz SOULILAZSYYDAE-WBVHZDCISA-N 2 0 310.551 3.905 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000595098487 1040080552 /nfs/dbraw/zinc/08/05/52/1040080552.db2.gz GMQQJIUGVPBQKH-WBVHZDCISA-N 2 0 310.551 3.905 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCSCc1ccccc1)C2 ZINC000595504575 1040155281 /nfs/dbraw/zinc/15/52/81/1040155281.db2.gz JYKRAXAXMKAWAN-IBGZPJMESA-N 2 0 318.530 3.728 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000608063443 1040360703 /nfs/dbraw/zinc/36/07/03/1040360703.db2.gz IKYMCYBDPSOPHV-IPMKNSEASA-N 2 0 316.489 3.685 20 0 DHADRP C[N@@H+](Cc1ccc(CSC(F)F)o1)CC1CC[NH+](C)CC1 ZINC000093089201 193201511 /nfs/dbraw/zinc/20/15/11/193201511.db2.gz UROHDMFWTFWFRI-UHFFFAOYSA-N 2 0 318.433 3.509 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000093944656 193331289 /nfs/dbraw/zinc/33/12/89/193331289.db2.gz KJKKJISZJCSVKO-IRXDYDNUSA-N 2 0 303.494 3.524 20 0 DHADRP C[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272664598 130051911 /nfs/dbraw/zinc/05/19/11/130051911.db2.gz IPXSBYRFCRIQSP-VQIMIIECSA-N 2 0 323.484 3.977 20 0 DHADRP Fc1cccc(C2CC([NH2+]C3CC[NH+](C4CCC4)CC3)C2)c1 ZINC000272835430 130067957 /nfs/dbraw/zinc/06/79/57/130067957.db2.gz GGWVKCZRPRRIOW-UHFFFAOYSA-N 2 0 302.437 3.678 20 0 DHADRP Fc1ccc(C2CC([NH2+]C3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000272961963 130077502 /nfs/dbraw/zinc/07/75/02/130077502.db2.gz QARNWFLALPPVQZ-UHFFFAOYSA-N 2 0 302.437 3.678 20 0 DHADRP C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336849 130107934 /nfs/dbraw/zinc/10/79/34/130107934.db2.gz VIPIFJMBVJWEIR-GDBMZVCRSA-N 2 0 315.486 3.945 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(Cl)cn1 ZINC000274976408 130278234 /nfs/dbraw/zinc/27/82/34/130278234.db2.gz YPBZWBJCMCXZLU-OAHLLOKOSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278488233 130696657 /nfs/dbraw/zinc/69/66/57/130696657.db2.gz PHQHWABSWZVXLO-HNNXBMFYSA-N 2 0 304.453 3.611 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCO2 ZINC000278526099 130698173 /nfs/dbraw/zinc/69/81/73/130698173.db2.gz SXEUVBZTTLEOLQ-IBGZPJMESA-N 2 0 314.473 3.537 20 0 DHADRP COCCC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000282064499 130899878 /nfs/dbraw/zinc/89/98/78/130899878.db2.gz WIKPQDBTXQNEQW-LJQANCHMSA-N 2 0 322.468 3.615 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340183792 131017668 /nfs/dbraw/zinc/01/76/68/131017668.db2.gz FOBLSAYAGNAULC-QFBILLFUSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cn[nH]c1 ZINC000284305345 131068716 /nfs/dbraw/zinc/06/87/16/131068716.db2.gz YWVGELAAVXJJEC-MRXNPFEDSA-N 2 0 312.461 3.637 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000284998227 131129927 /nfs/dbraw/zinc/12/99/27/131129927.db2.gz GTMFDADJWKBCBH-IHJVYAAUSA-N 2 0 316.489 3.587 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000285440963 131168376 /nfs/dbraw/zinc/16/83/76/131168376.db2.gz YZTHATABTUOXPW-VIQWUECVSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000293717916 131761817 /nfs/dbraw/zinc/76/18/17/131761817.db2.gz VIXRKSPRLUJKFU-QGZVFWFLSA-N 2 0 304.478 3.569 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340480555 131858875 /nfs/dbraw/zinc/85/88/75/131858875.db2.gz RIUXNOGMJKSYJB-HXUWFJFHSA-N 2 0 316.489 3.928 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297913833 132039978 /nfs/dbraw/zinc/03/99/78/132039978.db2.gz WSXBRLSSKLJHGD-HOCLYGCPSA-N 2 0 321.896 3.822 20 0 DHADRP c1ccc(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CCC2)cc1 ZINC000298394968 132060807 /nfs/dbraw/zinc/06/08/07/132060807.db2.gz LOWZNDQGOMSUAB-UHFFFAOYSA-N 2 0 321.468 3.762 20 0 DHADRP Brc1cccc(CNC2CC[NH+](C3CCC3)CC2)c1 ZINC000299302637 132098192 /nfs/dbraw/zinc/09/81/92/132098192.db2.gz BIUXNIGDJLLNDJ-UHFFFAOYSA-N 2 0 323.278 3.556 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cncs1 ZINC000163930863 132127138 /nfs/dbraw/zinc/12/71/38/132127138.db2.gz XZQFHNMFIZOGSL-OAHLLOKOSA-N 2 0 315.486 3.980 20 0 DHADRP c1sc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1-c1ccccc1 ZINC000121478901 132156289 /nfs/dbraw/zinc/15/62/89/132156289.db2.gz AAAPDSLEEIQKFH-HNNXBMFYSA-N 2 0 312.482 3.989 20 0 DHADRP CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCn2ccnc2)o1 ZINC000343317123 335070180 /nfs/dbraw/zinc/07/01/80/335070180.db2.gz CALGGYXWGBEFAI-NVXWUHKLSA-N 2 0 301.434 3.902 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000570649474 332791076 /nfs/dbraw/zinc/79/10/76/332791076.db2.gz ORMOIEQNVGFGFL-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000070188869 331658360 /nfs/dbraw/zinc/65/83/60/331658360.db2.gz FZQHCBDVZZBTHW-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CCC(O)(CC)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449109361 331780728 /nfs/dbraw/zinc/78/07/28/331780728.db2.gz YKLLRJRPYXOGEK-UHFFFAOYSA-N 2 0 312.542 3.806 20 0 DHADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c2ccccc12 ZINC000261711748 331809501 /nfs/dbraw/zinc/80/95/01/331809501.db2.gz PSSYDKSVODQKLS-FQEVSTJZSA-N 2 0 324.468 3.812 20 0 DHADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261728292 331877012 /nfs/dbraw/zinc/87/70/12/331877012.db2.gz MPWCZCBHLMUFBY-OWCLPIDISA-N 2 0 324.415 3.688 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000566088480 331957718 /nfs/dbraw/zinc/95/77/18/331957718.db2.gz TWSHXEDOFZCTPE-CYBMUJFWSA-N 2 0 302.384 3.614 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968555 331962263 /nfs/dbraw/zinc/96/22/63/331962263.db2.gz QRJXXTKDCNDHSA-NEWSRXKRSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128090765 332009797 /nfs/dbraw/zinc/00/97/97/332009797.db2.gz ONHJPBZILICINU-BHIYHBOVSA-N 2 0 300.490 3.959 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398058 332025327 /nfs/dbraw/zinc/02/53/27/332025327.db2.gz ZDKQYUMKEVKWMP-CABCVRRESA-N 2 0 312.379 3.597 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427109593 332168640 /nfs/dbraw/zinc/16/86/40/332168640.db2.gz HQYCHRFAOWASCC-UYAOXDASSA-N 2 0 322.452 3.546 20 0 DHADRP C[N@@H+](Cc1ccc(Cl)c2cccnc12)CC1CC[NH+](C)CC1 ZINC000104086490 332243453 /nfs/dbraw/zinc/24/34/53/332243453.db2.gz QOWRACJDMBOBFH-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP Clc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000536499166 332253079 /nfs/dbraw/zinc/25/30/79/332253079.db2.gz VWNLMZXRZGNUHW-KZNAEPCWSA-N 2 0 304.865 3.934 20 0 DHADRP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000566230114 332264147 /nfs/dbraw/zinc/26/41/47/332264147.db2.gz IZJZDOPDBHLAOT-HUUCEWRRSA-N 2 0 316.445 3.596 20 0 DHADRP C[C@H]([NH2+]CCC[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043513197 332278192 /nfs/dbraw/zinc/27/81/92/332278192.db2.gz RTKCHZGDWGXCSF-QMMMGPOBSA-N 2 0 314.273 3.724 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000560021362 332302656 /nfs/dbraw/zinc/30/26/56/332302656.db2.gz FTAAZCWWNILVKZ-ZIAGYGMSSA-N 2 0 312.860 3.874 20 0 DHADRP C[C@@H]1C[C@@H](N(C)Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000529527900 335100103 /nfs/dbraw/zinc/10/01/03/335100103.db2.gz GNNYKIRBQHYRJF-PWSUYJOCSA-N 2 0 306.397 3.681 20 0 DHADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000049529320 332315180 /nfs/dbraw/zinc/31/51/80/332315180.db2.gz XQLFQBNAHUFEBD-INIZCTEOSA-N 2 0 301.459 3.853 20 0 DHADRP CCN(CC)[C@H](C)C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000560236673 332321441 /nfs/dbraw/zinc/32/14/41/332321441.db2.gz RTYHQLJHYFNQRP-OHDICMOHSA-N 2 0 304.478 3.507 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000560237248 332321459 /nfs/dbraw/zinc/32/14/59/332321459.db2.gz AEEHZWCVTGILNX-OAQYLSRUSA-N 2 0 312.501 3.780 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1F ZINC000115624109 332334210 /nfs/dbraw/zinc/33/42/10/332334210.db2.gz BQQBLNINDGBFFZ-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000560530319 332352447 /nfs/dbraw/zinc/35/24/47/332352447.db2.gz XXCRGFTXJNMWFH-ZCNNSNEGSA-N 2 0 316.489 3.684 20 0 DHADRP CC(C)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000526051131 332434168 /nfs/dbraw/zinc/43/41/68/332434168.db2.gz GLXYYFGTCQDCNV-FQEVSTJZSA-N 2 0 314.517 3.965 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000561419158 332449238 /nfs/dbraw/zinc/44/92/38/332449238.db2.gz CJJFHSQEEIYOJS-WMLDXEAASA-N 2 0 309.457 3.915 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000561419157 332449244 /nfs/dbraw/zinc/44/92/44/332449244.db2.gz CJJFHSQEEIYOJS-RHSMWYFYSA-N 2 0 309.457 3.915 20 0 DHADRP CC(C)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCCCCC1 ZINC000562303509 332571873 /nfs/dbraw/zinc/57/18/73/332571873.db2.gz VYBLXIBZVHHWKG-IOJLRTSASA-N 2 0 322.537 3.968 20 0 DHADRP Clc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000569790887 332679806 /nfs/dbraw/zinc/67/98/06/332679806.db2.gz BPVAVNWNQRQJRT-ZDUSSCGKSA-N 2 0 304.821 3.689 20 0 DHADRP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570162257 332719703 /nfs/dbraw/zinc/71/97/03/332719703.db2.gz GQYRDQOUFLYYEM-KDOFPFPSSA-N 2 0 308.416 3.737 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C(C)C)cc1 ZINC000514084218 332986873 /nfs/dbraw/zinc/98/68/73/332986873.db2.gz OTUWZGMJGSEPSS-TVPLGVNVSA-N 2 0 304.478 3.855 20 0 DHADRP Cc1cnccc1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000518764182 333015491 /nfs/dbraw/zinc/01/54/91/333015491.db2.gz YRZAQFQBLZALLB-UHFFFAOYSA-N 2 0 315.505 3.521 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000179464498 333025238 /nfs/dbraw/zinc/02/52/38/333025238.db2.gz ALPBOILWPVNYHM-QGZVFWFLSA-N 2 0 309.457 3.644 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000188124842 333037734 /nfs/dbraw/zinc/03/77/34/333037734.db2.gz YMXASEKHQUIXEX-ZBFHGGJFSA-N 2 0 320.502 3.909 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1ccccc1 ZINC000460351106 333069125 /nfs/dbraw/zinc/06/91/25/333069125.db2.gz RZZNORIEYYTITF-NGRWLJPCSA-N 2 0 322.496 3.975 20 0 DHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000174450165 333086388 /nfs/dbraw/zinc/08/63/88/333086388.db2.gz ZWXRCAAKFBJYGA-UHFFFAOYSA-N 2 0 310.397 3.794 20 0 DHADRP Cn1cccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174451480 333086625 /nfs/dbraw/zinc/08/66/25/333086625.db2.gz ASSMIAURTVKLMC-UHFFFAOYSA-N 2 0 323.440 3.540 20 0 DHADRP C[C@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000177357982 333127977 /nfs/dbraw/zinc/12/79/77/333127977.db2.gz JCPMWBQINUDCDP-MJGOQNOKSA-N 2 0 309.457 3.597 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000177979232 333133967 /nfs/dbraw/zinc/13/39/67/333133967.db2.gz YNJMXPUKESXPEN-HNNXBMFYSA-N 2 0 315.436 3.912 20 0 DHADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000181006461 333166764 /nfs/dbraw/zinc/16/67/64/333166764.db2.gz MFWSIVYYHCEMMT-CQSZACIVSA-N 2 0 301.434 3.553 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000319153357 333266097 /nfs/dbraw/zinc/26/60/97/333266097.db2.gz WWUNQNKYJYHPTR-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCOCc2ccccc2)c2ccccc21 ZINC000390598204 333304486 /nfs/dbraw/zinc/30/44/86/333304486.db2.gz UYVOHSHXCQGMGG-PMACEKPBSA-N 2 0 310.441 3.718 20 0 DHADRP C[N@H+](CCC[NH2+][C@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000319620762 333323635 /nfs/dbraw/zinc/32/36/35/333323635.db2.gz LHSPQMRGMZOCTM-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CS1 ZINC000488455673 333379528 /nfs/dbraw/zinc/37/95/28/333379528.db2.gz FSOCIBYUTKTIHK-ROUUACIJSA-N 2 0 306.519 3.628 20 0 DHADRP CC(C)C[NH+]1CCC(N[C@H]2CCSc3ccccc32)CC1 ZINC000221942335 333382843 /nfs/dbraw/zinc/38/28/43/333382843.db2.gz BXILVKFYOYMASE-KRWDZBQOSA-N 2 0 304.503 3.934 20 0 DHADRP CCSCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000390768840 333391689 /nfs/dbraw/zinc/39/16/89/333391689.db2.gz JWIRHCKXIOOYCO-GBESFXJTSA-N 2 0 318.530 3.630 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000063158887 333445884 /nfs/dbraw/zinc/44/58/84/333445884.db2.gz KZWYKWIIYQIRRG-GFCCVEGCSA-N 2 0 300.368 3.698 20 0 DHADRP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000414499036 333998703 /nfs/dbraw/zinc/99/87/03/333998703.db2.gz XSIZXRVDEMQTQE-IBGZPJMESA-N 2 0 306.413 3.817 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000414653935 334054919 /nfs/dbraw/zinc/05/49/19/334054919.db2.gz FLSZUADUJPXCEK-HNAYVOBHSA-N 2 0 310.441 3.531 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651337 334055014 /nfs/dbraw/zinc/05/50/14/334055014.db2.gz CBBWEHFIXLYFDH-UMVBOHGHSA-N 2 0 314.395 3.868 20 0 DHADRP CC[NH2+]CC1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000414653125 334055504 /nfs/dbraw/zinc/05/55/04/334055504.db2.gz AOVADUFENAMXHW-VQTJNVASSA-N 2 0 300.490 3.818 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)cc1 ZINC000414661290 334060493 /nfs/dbraw/zinc/06/04/93/334060493.db2.gz PKEFLKRWNJPJTB-LAUBAEHRSA-N 2 0 324.468 3.743 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000414670469 334064809 /nfs/dbraw/zinc/06/48/09/334064809.db2.gz LBGMXGOTBPHVTH-MRXNPFEDSA-N 2 0 324.468 3.921 20 0 DHADRP C[C@H]1C[C@@H](C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC[NH2+]1 ZINC000414741710 334078542 /nfs/dbraw/zinc/07/85/42/334078542.db2.gz FOMOXNNXJFIFMO-HOCLYGCPSA-N 2 0 314.395 3.829 20 0 DHADRP C[N@H+](Cc1cccc(OC2CCCC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000414746979 334082862 /nfs/dbraw/zinc/08/28/62/334082862.db2.gz GKKOULFYUMXDJW-KRWDZBQOSA-N 2 0 302.462 3.582 20 0 DHADRP C[C@@H]1C[C@H](C[NH+]2CCC(c3c(F)cccc3F)CC2)CC[NH2+]1 ZINC000414755778 334085738 /nfs/dbraw/zinc/08/57/38/334085738.db2.gz PQVMBWZJBRBQON-ZIAGYGMSSA-N 2 0 308.416 3.532 20 0 DHADRP Clc1oc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768856 334089395 /nfs/dbraw/zinc/08/93/95/334089395.db2.gz MLCFSXQPOGQWJZ-BETUJISGSA-N 2 0 304.821 3.518 20 0 DHADRP c1c2ccccc2sc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414786277 334096102 /nfs/dbraw/zinc/09/61/02/334096102.db2.gz ULYDSPBKPGKILT-CVEARBPZSA-N 2 0 300.471 3.723 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786729 334096435 /nfs/dbraw/zinc/09/64/35/334096435.db2.gz UTIVJBVCGKMVNN-IAGOWNOFSA-N 2 0 304.503 3.620 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc2cccnc12 ZINC000414804047 334103781 /nfs/dbraw/zinc/10/37/81/334103781.db2.gz DRFQWGXHFCWVAX-HNNXBMFYSA-N 2 0 305.425 3.853 20 0 DHADRP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414808877 334104890 /nfs/dbraw/zinc/10/48/90/334104890.db2.gz LDKPTVCSHOOOCO-HNNXBMFYSA-N 2 0 320.440 3.695 20 0 DHADRP COc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(Cl)c1 ZINC000414809248 334104996 /nfs/dbraw/zinc/10/49/96/334104996.db2.gz LUQUAFBWQOEOND-LBPRGKRZSA-N 2 0 304.821 3.658 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000414816384 334106194 /nfs/dbraw/zinc/10/61/94/334106194.db2.gz PRVBDBOJYRLICV-GJZGRUSLSA-N 2 0 322.456 3.694 20 0 DHADRP c1ccc(Oc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000414815012 334106558 /nfs/dbraw/zinc/10/65/58/334106558.db2.gz OWMKXEAUFKQBQC-JWTNVVGKSA-N 2 0 308.425 3.852 20 0 DHADRP COc1ccc2oc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cc2c1 ZINC000414816311 334106648 /nfs/dbraw/zinc/10/66/48/334106648.db2.gz ZXCPVXNXCJQGGP-ZDUSSCGKSA-N 2 0 310.397 3.751 20 0 DHADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414816016 334106854 /nfs/dbraw/zinc/10/68/54/334106854.db2.gz YWGXLCPUCXVGOC-FVJLSDCUSA-N 2 0 323.484 3.631 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414827794 334109798 /nfs/dbraw/zinc/10/97/98/334109798.db2.gz YKHPUMIBZVKTFZ-FRRDWIJNSA-N 2 0 315.288 3.902 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414829894 334110362 /nfs/dbraw/zinc/11/03/62/334110362.db2.gz LIEACTMJSXQUPO-NWDGAFQWSA-N 2 0 301.261 3.514 20 0 DHADRP FC(F)(F)c1cccc(CCCC[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414830437 334110498 /nfs/dbraw/zinc/11/04/98/334110498.db2.gz MAVKBNNAURORRB-HNNXBMFYSA-N 2 0 314.395 3.617 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H](C[NH3+])C3CCCCC3)CC2)C1 ZINC000414835771 334111385 /nfs/dbraw/zinc/11/13/85/334111385.db2.gz HTSBOWGGSKOVEK-AHRSYUTCSA-N 2 0 321.553 3.527 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000280346870 334116701 /nfs/dbraw/zinc/11/67/01/334116701.db2.gz SNBXHDDYFSSSOM-QFBILLFUSA-N 2 0 304.453 3.924 20 0 DHADRP C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414853544 334127636 /nfs/dbraw/zinc/12/76/36/334127636.db2.gz KYKGGMKWVIOBCT-GOEBONIOSA-N 2 0 300.471 3.893 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414863048 334133933 /nfs/dbraw/zinc/13/39/33/334133933.db2.gz XVQCMORPLNKEOQ-XLIONFOSSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414926156 334187949 /nfs/dbraw/zinc/18/79/49/334187949.db2.gz MQIGCHKCWXQXBC-UTUOFQBUSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414941598 334202571 /nfs/dbraw/zinc/20/25/71/334202571.db2.gz LSJDREOBHLLXAU-BVYCBKJFSA-N 2 0 322.496 3.818 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414946370 334205300 /nfs/dbraw/zinc/20/53/00/334205300.db2.gz TWQSXPMKJLRCMQ-NHYWBVRUSA-N 2 0 301.261 3.514 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000187468807 334209621 /nfs/dbraw/zinc/20/96/21/334209621.db2.gz YEBUHHQDCSPDPX-WLRLJWMZSA-N 2 0 312.501 3.913 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC[NH2+]1 ZINC000414960325 334212139 /nfs/dbraw/zinc/21/21/39/334212139.db2.gz YCYHFSWEYWLECA-OCCSQVGLSA-N 2 0 304.434 3.784 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)s2)cc1 ZINC000414964373 334213535 /nfs/dbraw/zinc/21/35/35/334213535.db2.gz VAJBEQALSZHKAX-RHSMWYFYSA-N 2 0 300.471 3.811 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414979121 334225065 /nfs/dbraw/zinc/22/50/65/334225065.db2.gz UZBCZNSIMRYBJS-FQEVSTJZSA-N 2 0 324.468 3.840 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414986570 334228792 /nfs/dbraw/zinc/22/87/92/334228792.db2.gz IZSKANAAYSMGDG-SOUVJXGZSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000415085513 334274101 /nfs/dbraw/zinc/27/41/01/334274101.db2.gz QHXOEKRURJBQRS-QRQLOZEOSA-N 2 0 303.494 3.722 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414990654 334230456 /nfs/dbraw/zinc/23/04/56/334230456.db2.gz AJENBUHVVABWGS-JXFKEZNVSA-N 2 0 324.468 3.969 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414992003 334230716 /nfs/dbraw/zinc/23/07/16/334230716.db2.gz BKUYVSOMYPVIJF-IWKCEXAMSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@@H](CC[NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415085487 334274235 /nfs/dbraw/zinc/27/42/35/334274235.db2.gz IHQOCXNHGDTHHI-BBRMVZONSA-N 2 0 314.395 3.931 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414994925 334233104 /nfs/dbraw/zinc/23/31/04/334233104.db2.gz FDUBDGZIQGENPS-IINYFYTJSA-N 2 0 320.786 3.966 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414994927 334233146 /nfs/dbraw/zinc/23/31/46/334233146.db2.gz FDUBDGZIQGENPS-QMTHXVAHSA-N 2 0 320.786 3.966 20 0 DHADRP COc1cc(Cl)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414996210 334235265 /nfs/dbraw/zinc/23/52/65/334235265.db2.gz GGYDWLXGYOGUSN-JQWIXIFHSA-N 2 0 317.260 3.609 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414998598 334236755 /nfs/dbraw/zinc/23/67/55/334236755.db2.gz IHWRFUSZYNCPSH-IVMMDQJWSA-N 2 0 314.395 3.744 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415002663 334240550 /nfs/dbraw/zinc/24/05/50/334240550.db2.gz WDWPNWVXUCYYRF-GWCFXTLKSA-N 2 0 320.786 3.966 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415002665 334240589 /nfs/dbraw/zinc/24/05/89/334240589.db2.gz WDWPNWVXUCYYRF-MFKMUULPSA-N 2 0 320.786 3.966 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000415003436 334241653 /nfs/dbraw/zinc/24/16/53/334241653.db2.gz XDUIFNMXJMIDBO-HOCLYGCPSA-N 2 0 315.486 3.726 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000415003795 334241894 /nfs/dbraw/zinc/24/18/94/334241894.db2.gz XLAIMYWFGFIUPL-LOSCLAISSA-N 2 0 302.437 3.567 20 0 DHADRP c1ccc(C(CC[NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000415086207 334275027 /nfs/dbraw/zinc/27/50/27/334275027.db2.gz RQRWDYGDBLEFTN-FQEVSTJZSA-N 2 0 308.469 3.940 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415004181 334242989 /nfs/dbraw/zinc/24/29/89/334242989.db2.gz XTIKLERVECDVEH-PWSUYJOCSA-N 2 0 320.786 3.966 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000415004972 334245574 /nfs/dbraw/zinc/24/55/74/334245574.db2.gz YNMOYFKMIASMSO-QUCCMNQESA-N 2 0 324.468 3.873 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415011301 334258061 /nfs/dbraw/zinc/25/80/61/334258061.db2.gz HIPUSKARXALJST-JTQLQIEISA-N 2 0 305.249 3.609 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000415016434 334258673 /nfs/dbraw/zinc/25/86/73/334258673.db2.gz POHOCYSBISIACY-SNVBAGLBSA-N 2 0 319.674 3.710 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415026068 334259906 /nfs/dbraw/zinc/25/99/06/334259906.db2.gz RUVQWUIUVLMRIF-RGCFKVTRSA-N 2 0 304.453 3.817 20 0 DHADRP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415028618 334260006 /nfs/dbraw/zinc/26/00/06/334260006.db2.gz ZEAMNOHODPOARW-HUUCEWRRSA-N 2 0 309.473 3.525 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415029930 334260145 /nfs/dbraw/zinc/26/01/45/334260145.db2.gz FCFTXBADXDVSEE-BEKAIBRUSA-N 2 0 316.489 3.827 20 0 DHADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000415041743 334260948 /nfs/dbraw/zinc/26/09/48/334260948.db2.gz LQNRRDRNHHJZIM-RTWAWAEBSA-N 2 0 321.468 3.713 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000415042070 334261070 /nfs/dbraw/zinc/26/10/70/334261070.db2.gz MAFPDDHKBATDTL-TZIWHRDSSA-N 2 0 324.468 3.812 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000415045821 334261161 /nfs/dbraw/zinc/26/11/61/334261161.db2.gz UKHXUVVSWDGIMH-NEPJUHHUSA-N 2 0 301.261 3.643 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)c1ccccc1 ZINC000415045436 334261163 /nfs/dbraw/zinc/26/11/63/334261163.db2.gz BRSSNIJFIOGCBM-HKBOAZHASA-N 2 0 323.484 3.550 20 0 DHADRP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000415048106 334261521 /nfs/dbraw/zinc/26/15/21/334261521.db2.gz FOZMQAYRHARZJA-KXBFYZLASA-N 2 0 300.421 3.999 20 0 DHADRP c1ccc(OCCCCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059912 334261876 /nfs/dbraw/zinc/26/18/76/334261876.db2.gz XXNWDHGBQROBAT-AZUAARDMSA-N 2 0 316.489 3.700 20 0 DHADRP C[C@H](CCC1CCCCC1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058168 334262033 /nfs/dbraw/zinc/26/20/33/334262033.db2.gz SWJCXEAXHJNRMN-QHGAOEGBSA-N 2 0 321.553 3.541 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2cccnc12 ZINC000415058701 334262088 /nfs/dbraw/zinc/26/20/88/334262088.db2.gz WAQSABXFNQTXTA-RTBURBONSA-N 2 0 309.457 3.507 20 0 DHADRP Cc1cccc(C)c1CC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415077551 334270118 /nfs/dbraw/zinc/27/01/18/334270118.db2.gz FLFXIGJKSZJWSA-PZJWPPBQSA-N 2 0 308.469 3.929 20 0 DHADRP CCSc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000534496904 334277956 /nfs/dbraw/zinc/27/79/56/334277956.db2.gz KVMGWOTUFHDFEJ-LSDHHAIUSA-N 2 0 304.503 3.934 20 0 DHADRP c1ccc(COCc2ccccc2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000415090036 334279986 /nfs/dbraw/zinc/27/99/86/334279986.db2.gz ZQPQKXLXMIMHCG-OAQYLSRUSA-N 2 0 324.468 3.635 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000415094756 334280636 /nfs/dbraw/zinc/28/06/36/334280636.db2.gz YEQUTIYQINNEDV-PXNSSMCTSA-N 2 0 308.469 3.939 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000415094758 334280706 /nfs/dbraw/zinc/28/07/06/334280706.db2.gz YEQUTIYQINNEDV-YLJYHZDGSA-N 2 0 308.469 3.939 20 0 DHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000415117000 334283929 /nfs/dbraw/zinc/28/39/29/334283929.db2.gz YZUMMDJXLAVKCE-MOPGFXCFSA-N 2 0 308.510 3.565 20 0 DHADRP CCCC(CCC)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415139892 334286915 /nfs/dbraw/zinc/28/69/15/334286915.db2.gz XLWYWGIVGOYUDU-UHFFFAOYSA-N 2 0 317.521 3.538 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000531979615 334350726 /nfs/dbraw/zinc/35/07/26/334350726.db2.gz UCZADAXTEYGQJY-HUUCEWRRSA-N 2 0 318.427 3.819 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534977839 334351607 /nfs/dbraw/zinc/35/16/07/334351607.db2.gz ZGWLOEMAFYLUKT-AEFFLSMTSA-N 2 0 324.896 3.664 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000430578743 334383251 /nfs/dbraw/zinc/38/32/51/334383251.db2.gz XLZYPKBCJAKIKO-UHFFFAOYSA-N 2 0 316.489 3.636 20 0 DHADRP c1ccc(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443604794 338456359 /nfs/dbraw/zinc/45/63/59/338456359.db2.gz MJFFEMFBGBZTPL-UHFFFAOYSA-N 2 0 316.489 3.653 20 0 DHADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000443961849 338464500 /nfs/dbraw/zinc/46/45/00/338464500.db2.gz FOBZUUVQUPKSPI-HOTGVXAUSA-N 2 0 324.896 3.627 20 0 DHADRP Oc1ccc(C2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000343634757 335183417 /nfs/dbraw/zinc/18/34/17/335183417.db2.gz UKJWGNMRAKPQCG-JDGDGYACSA-N 2 0 314.473 3.635 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343814240 335194808 /nfs/dbraw/zinc/19/48/08/335194808.db2.gz JDFVIBGTCSWOEE-SNVBAGLBSA-N 2 0 321.412 3.544 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343814239 335194968 /nfs/dbraw/zinc/19/49/68/335194968.db2.gz JDFVIBGTCSWOEE-JTQLQIEISA-N 2 0 321.412 3.544 20 0 DHADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000344334627 335241897 /nfs/dbraw/zinc/24/18/97/335241897.db2.gz SOTZSBHQXNGNPT-DQYPLSBCSA-N 2 0 320.864 3.626 20 0 DHADRP c1cn(-c2csc(C[NH2+][C@H]3CCOC4(CCCC4)C3)c2)cn1 ZINC000344357254 335244060 /nfs/dbraw/zinc/24/40/60/335244060.db2.gz NIOWGVNVXSRJCK-AWEZNQCLSA-N 2 0 317.458 3.515 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)CCC2 ZINC000344780493 335276800 /nfs/dbraw/zinc/27/68/00/335276800.db2.gz YKLJXUVTVMVBMC-IPMKNSEASA-N 2 0 309.457 3.995 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000344966597 335288367 /nfs/dbraw/zinc/28/83/67/335288367.db2.gz JUAXSMKAIDNEQS-QZTJIDSGSA-N 2 0 304.503 3.656 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000345188903 335306264 /nfs/dbraw/zinc/30/62/64/335306264.db2.gz FHZAYHXVUORKRP-SJORKVTESA-N 2 0 304.478 3.576 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000346171721 335377617 /nfs/dbraw/zinc/37/76/17/335377617.db2.gz ATLHRWVLTMFIEN-SFHVURJKSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccccc1C ZINC000346132389 335379651 /nfs/dbraw/zinc/37/96/51/335379651.db2.gz BYNJNKDYACUDPB-UHFFFAOYSA-N 2 0 306.413 3.516 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000346159246 335383016 /nfs/dbraw/zinc/38/30/16/335383016.db2.gz UYDIFDWWPUHYHJ-HXUWFJFHSA-N 2 0 318.424 3.695 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000346215633 335385058 /nfs/dbraw/zinc/38/50/58/335385058.db2.gz QJMGJXSOMHVTKE-IBGZPJMESA-N 2 0 304.397 3.523 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000346216854 335385174 /nfs/dbraw/zinc/38/51/74/335385174.db2.gz LLOVUCVSDFHTMV-HXUWFJFHSA-N 2 0 322.456 3.898 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000346216852 335385399 /nfs/dbraw/zinc/38/53/99/335385399.db2.gz LLOVUCVSDFHTMV-FQEVSTJZSA-N 2 0 322.456 3.898 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000346223767 335386061 /nfs/dbraw/zinc/38/60/61/335386061.db2.gz UNHSKCNBKBGCPL-HLVUACMISA-N 2 0 322.456 3.586 20 0 DHADRP CC[N@H+](CCn1ccnc1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000346270303 335396558 /nfs/dbraw/zinc/39/65/58/335396558.db2.gz CYSYRXUEUAEEBL-SFHVURJKSA-N 2 0 303.425 3.611 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000346691070 335431591 /nfs/dbraw/zinc/43/15/91/335431591.db2.gz UZQISLKTWXWDHP-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000519181915 335813281 /nfs/dbraw/zinc/81/32/81/335813281.db2.gz WEJLRYBBIBIJBP-KFWWJZLASA-N 2 0 300.368 3.582 20 0 DHADRP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000583637450 336006127 /nfs/dbraw/zinc/00/61/27/336006127.db2.gz UAWLTPBHUXVNFK-ZCNNSNEGSA-N 2 0 316.489 3.616 20 0 DHADRP CCC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000192352507 336029893 /nfs/dbraw/zinc/02/98/93/336029893.db2.gz FWQHLSNRQKMIHQ-UHFFFAOYSA-N 2 0 317.521 3.743 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1OC ZINC000351623905 336052415 /nfs/dbraw/zinc/05/24/15/336052415.db2.gz KLQAKFYODJVIKV-UHFFFAOYSA-N 2 0 312.457 3.779 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(OC)c(OC)c1 ZINC000352246456 336206557 /nfs/dbraw/zinc/20/65/57/336206557.db2.gz PVOMFPZAWVOLCG-SJORKVTESA-N 2 0 320.477 3.619 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000352256167 336207273 /nfs/dbraw/zinc/20/72/73/336207273.db2.gz GFDBUHKMPRPHLH-UHFFFAOYSA-N 2 0 323.484 3.920 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000352535332 336223077 /nfs/dbraw/zinc/22/30/77/336223077.db2.gz PFEZVGIOHHARNX-ZDUSSCGKSA-N 2 0 307.488 3.575 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000580363608 336260287 /nfs/dbraw/zinc/26/02/87/336260287.db2.gz GFRXXENDZVMQMS-QRVBRYPASA-N 2 0 315.505 3.736 20 0 DHADRP CSc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000352830485 336268474 /nfs/dbraw/zinc/26/84/74/336268474.db2.gz AOKLLCPDRDOKIP-UHFFFAOYSA-N 2 0 306.500 3.821 20 0 DHADRP CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000526949398 336275793 /nfs/dbraw/zinc/27/57/93/336275793.db2.gz GPEPKHOMBUJZIB-CYBMUJFWSA-N 2 0 314.395 3.883 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C1 ZINC000526974753 336277104 /nfs/dbraw/zinc/27/71/04/336277104.db2.gz AQKJJUCJQHJZFD-IYBDPMFKSA-N 2 0 304.453 3.756 20 0 DHADRP Cc1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(C(C)C)n1 ZINC000301063104 336287930 /nfs/dbraw/zinc/28/79/30/336287930.db2.gz CEEMXGQSEUVFCI-UHFFFAOYSA-N 2 0 316.493 3.975 20 0 DHADRP Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000301346409 336301701 /nfs/dbraw/zinc/30/17/01/336301701.db2.gz GYIJQPUGHFLHDU-KRWDZBQOSA-N 2 0 309.457 3.998 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000514099806 336303820 /nfs/dbraw/zinc/30/38/20/336303820.db2.gz QZBFFSIEOQLVSU-MTFMMBMASA-N 2 0 316.489 3.617 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482634755 336324252 /nfs/dbraw/zinc/32/42/52/336324252.db2.gz VEDGMHKRPHEVBJ-LSDHHAIUSA-N 2 0 324.896 3.565 20 0 DHADRP C[C@H](c1cccc(F)c1)N1CCN(c2ccncc2Cl)CC1 ZINC000301904724 336337513 /nfs/dbraw/zinc/33/75/13/336337513.db2.gz YGUPYQNMBDOKDV-CYBMUJFWSA-N 2 0 319.811 3.757 20 0 DHADRP C[C@@H](c1cccc(F)c1)N1CCN(c2ccncc2Cl)CC1 ZINC000301904725 336337519 /nfs/dbraw/zinc/33/75/19/336337519.db2.gz YGUPYQNMBDOKDV-ZDUSSCGKSA-N 2 0 319.811 3.757 20 0 DHADRP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000302825639 336370973 /nfs/dbraw/zinc/37/09/73/336370973.db2.gz MMIBGMHKUAPLIN-SJORKVTESA-N 2 0 303.356 3.526 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000320856989 336374410 /nfs/dbraw/zinc/37/44/10/336374410.db2.gz AYCQZSRLJOEVEN-LIRRHRJNSA-N 2 0 309.457 3.619 20 0 DHADRP Cc1cccc(CCC[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC000352920810 336377127 /nfs/dbraw/zinc/37/71/27/336377127.db2.gz ATYDJSUPYMEJED-GHTZIAJQSA-N 2 0 323.484 3.748 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353506221 336421427 /nfs/dbraw/zinc/42/14/27/336421427.db2.gz XFEHPOUXPONDJW-RJYAGPCLSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000353596086 336427611 /nfs/dbraw/zinc/42/76/11/336427611.db2.gz PONPZJSWXZCVOO-WHXUTIOJSA-N 2 0 321.412 3.685 20 0 DHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1OC ZINC000353650065 336431535 /nfs/dbraw/zinc/43/15/35/336431535.db2.gz PVYDHVLGNKERCG-INIZCTEOSA-N 2 0 322.518 3.563 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000356910849 336565844 /nfs/dbraw/zinc/56/58/44/336565844.db2.gz ZCEJBPFZYPQYTM-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000358159544 336614099 /nfs/dbraw/zinc/61/40/99/336614099.db2.gz RAUVHUCICSCGTP-UHFFFAOYSA-N 2 0 316.420 3.576 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000367356971 336686549 /nfs/dbraw/zinc/68/65/49/336686549.db2.gz RYUVFGUKHOPDBR-UHFFFAOYSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC1CC[NH+](C)CC1)CCCO2 ZINC000361069046 336736667 /nfs/dbraw/zinc/73/66/67/336736667.db2.gz OFYJYVDQFKNJAP-IBGZPJMESA-N 2 0 316.489 3.839 20 0 DHADRP FC(F)(F)CCC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000372784505 336939491 /nfs/dbraw/zinc/93/94/91/336939491.db2.gz TYDXBPNPKSHDBD-UHFFFAOYSA-N 2 0 306.416 3.963 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000121713629 336976432 /nfs/dbraw/zinc/97/64/32/336976432.db2.gz GCABQXIJGWXOQG-LJQANCHMSA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)CCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000375358308 337009152 /nfs/dbraw/zinc/00/91/52/337009152.db2.gz VUAXBTDDZWXWRZ-UHFFFAOYSA-N 2 0 323.569 3.551 20 0 DHADRP CCCCCC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000375515543 337012552 /nfs/dbraw/zinc/01/25/52/337012552.db2.gz SMURFGRUWGFMOE-PBHICJAKSA-N 2 0 309.523 3.832 20 0 DHADRP COc1ccc2oc(C[NH2+]Cc3ccc(C[NH+](C)C)cc3)cc2c1 ZINC000122984907 337031453 /nfs/dbraw/zinc/03/14/53/337031453.db2.gz WKGZRUHJVMECLZ-UHFFFAOYSA-N 2 0 324.424 3.793 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-c2cncnc2)cc1 ZINC000376966908 337044386 /nfs/dbraw/zinc/04/43/86/337044386.db2.gz IVTMSYVOKJXCLB-QGZVFWFLSA-N 2 0 324.472 3.670 20 0 DHADRP Fc1cc(F)cc(C2CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000377625645 337056673 /nfs/dbraw/zinc/05/66/73/337056673.db2.gz LLMWQKBNXQQVSR-UHFFFAOYSA-N 2 0 320.427 3.817 20 0 DHADRP C[N@H+]([C@@H]1CCc2ccccc21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377690834 337058560 /nfs/dbraw/zinc/05/85/60/337058560.db2.gz GSSSIGWYUYFYDY-HXUWFJFHSA-N 2 0 307.441 3.670 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC000377766734 337060433 /nfs/dbraw/zinc/06/04/33/337060433.db2.gz ZUGOYYOBCPVQIW-VQIMIIECSA-N 2 0 316.395 3.747 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnc(C3CCCC3)s2)C1 ZINC000377839704 337062365 /nfs/dbraw/zinc/06/23/65/337062365.db2.gz LOLPXTDTDIBQCX-DOTOQJQBSA-N 2 0 319.518 3.717 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000377890458 337063467 /nfs/dbraw/zinc/06/34/67/337063467.db2.gz VJSWISJVXNWFRM-HNNXBMFYSA-N 2 0 321.534 3.604 20 0 DHADRP CCCCCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378003152 337064958 /nfs/dbraw/zinc/06/49/58/337064958.db2.gz MDUAGDMJTFWHDU-UHFFFAOYSA-N 2 0 323.569 3.695 20 0 DHADRP Clc1cc2cccnc2c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000378155678 337067378 /nfs/dbraw/zinc/06/73/78/337067378.db2.gz RLSNGFJDQREWKN-IRXDYDNUSA-N 2 0 315.848 3.605 20 0 DHADRP Clc1cc2cccnc2c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000378155679 337067432 /nfs/dbraw/zinc/06/74/32/337067432.db2.gz RLSNGFJDQREWKN-SJORKVTESA-N 2 0 315.848 3.605 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000378184814 337067984 /nfs/dbraw/zinc/06/79/84/337067984.db2.gz PXMQBZDXCTZWPS-HNNXBMFYSA-N 2 0 304.478 3.906 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378190891 337068015 /nfs/dbraw/zinc/06/80/15/337068015.db2.gz QESRWJPBPBNICV-NZBPQXDJSA-N 2 0 324.921 3.967 20 0 DHADRP Cc1nc([C@H](C)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cs1 ZINC000378513560 337074854 /nfs/dbraw/zinc/07/48/54/337074854.db2.gz BUIOZXWEFATREF-OWQGQXMQSA-N 2 0 315.486 3.795 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000360063273 337085019 /nfs/dbraw/zinc/08/50/19/337085019.db2.gz YJRBKEAVPZFXCI-GTOGFOKVSA-N 2 0 306.881 3.904 20 0 DHADRP CC(C)[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000582502658 337099255 /nfs/dbraw/zinc/09/92/55/337099255.db2.gz NNGYSCIYZPVEIU-PMACEKPBSA-N 2 0 300.490 3.844 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174600251 337142719 /nfs/dbraw/zinc/14/27/19/337142719.db2.gz XTUBDRYYCCAEIB-AYHJJNSGSA-N 2 0 303.494 3.639 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000182127933 337186698 /nfs/dbraw/zinc/18/66/98/337186698.db2.gz OCXZLRONOPGAQF-AWEZNQCLSA-N 2 0 317.477 3.559 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C12CCC2 ZINC000183198498 337190386 /nfs/dbraw/zinc/19/03/86/337190386.db2.gz XCTLADPRJCRXPL-NBMJBFSESA-N 2 0 320.521 3.577 20 0 DHADRP Cc1ccc2c(C)cc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)nc2c1 ZINC000460938908 337193239 /nfs/dbraw/zinc/19/32/39/337193239.db2.gz RDHKAPZQAWVLDG-LPHOPBHVSA-N 2 0 309.457 3.772 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000469807426 337193840 /nfs/dbraw/zinc/19/38/40/337193840.db2.gz HWTPTDJLMHBUOW-JKSUJKDBSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000469866144 337196095 /nfs/dbraw/zinc/19/60/95/337196095.db2.gz XKYKBGCMMLNZOO-OLZOCXBDSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)o1 ZINC000184734717 337199240 /nfs/dbraw/zinc/19/92/40/337199240.db2.gz RGCKBCBBRBSYHF-UXLLHSPISA-N 2 0 313.445 3.591 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394992665 337201727 /nfs/dbraw/zinc/20/17/27/337201727.db2.gz GHHOXVVHBCHMQC-LAUBAEHRSA-N 2 0 324.468 3.695 20 0 DHADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c(Br)c1 ZINC000583143324 337245357 /nfs/dbraw/zinc/24/53/57/337245357.db2.gz GWVRFLBXALRPGF-UHFFFAOYSA-N 2 0 319.246 3.506 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CCSCC1 ZINC000186966030 337261906 /nfs/dbraw/zinc/26/19/06/337261906.db2.gz KTJFLNQMFHBZRO-MRXNPFEDSA-N 2 0 318.530 3.904 20 0 DHADRP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000192119243 337302871 /nfs/dbraw/zinc/30/28/71/337302871.db2.gz HFRXAFBBRQSFHG-DYVFJYSZSA-N 2 0 319.836 3.628 20 0 DHADRP Cc1c[nH+]ccc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192622575 337305955 /nfs/dbraw/zinc/30/59/55/337305955.db2.gz HTVZQVRQRLUYFE-PBHICJAKSA-N 2 0 301.459 3.947 20 0 DHADRP Cc1c[nH+]ccc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000192559931 337306480 /nfs/dbraw/zinc/30/64/80/337306480.db2.gz GORKQSMOGXQUAR-UHFFFAOYSA-N 2 0 309.457 3.738 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000584403623 337319779 /nfs/dbraw/zinc/31/97/79/337319779.db2.gz CRXHNPRZUCGWHQ-QGZVFWFLSA-N 2 0 322.880 3.875 20 0 DHADRP Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420239275 337497171 /nfs/dbraw/zinc/49/71/71/337497171.db2.gz SMZIDIMDFMSQLA-CHWSQXEVSA-N 2 0 303.837 3.679 20 0 DHADRP Cc1ccc(OC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1C ZINC000420296856 337498781 /nfs/dbraw/zinc/49/87/81/337498781.db2.gz CEWAGBQQFZRAKW-SFHVURJKSA-N 2 0 316.489 3.536 20 0 DHADRP Fc1ccc([C@H](CC(F)(F)F)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000420374095 337500257 /nfs/dbraw/zinc/50/02/57/337500257.db2.gz NCZBDCZAXULJRW-HNNXBMFYSA-N 2 0 318.358 3.799 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377391 337528818 /nfs/dbraw/zinc/52/88/18/337528818.db2.gz RKVXYFCXLUUPII-OOHWJJMZSA-N 2 0 300.446 3.826 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000261795991 337610676 /nfs/dbraw/zinc/61/06/76/337610676.db2.gz GNXRRTUOHSUVMR-UHFFFAOYSA-N 2 0 314.395 3.835 20 0 DHADRP C[C@@]1(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261867790 337611919 /nfs/dbraw/zinc/61/19/19/337611919.db2.gz OCPJLJQVNYUJPZ-QGZVFWFLSA-N 2 0 324.921 3.896 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000262000512 337614139 /nfs/dbraw/zinc/61/41/39/337614139.db2.gz PPEOYSXGFKHBQU-UHFFFAOYSA-N 2 0 319.474 3.533 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162555388 337636282 /nfs/dbraw/zinc/63/62/82/337636282.db2.gz WRMMEKXUYVRPRD-IIBYNOLFSA-N 2 0 324.468 3.650 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421819215 337648675 /nfs/dbraw/zinc/64/86/75/337648675.db2.gz FUHBKZFRGOIJEZ-ZDUSSCGKSA-N 2 0 312.860 3.874 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(Br)cc1 ZINC000574989855 337669367 /nfs/dbraw/zinc/66/93/67/337669367.db2.gz XFPSUAVDBCUFMN-GFCCVEGCSA-N 2 0 319.246 3.759 20 0 DHADRP CCCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422686448 337683386 /nfs/dbraw/zinc/68/33/86/337683386.db2.gz AEEPLBRBTDPJMV-SLFFLAALSA-N 2 0 316.489 3.624 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422702211 337683559 /nfs/dbraw/zinc/68/35/59/337683559.db2.gz DMNYOXLCJJVUCN-CYBMUJFWSA-N 2 0 315.436 3.616 20 0 DHADRP Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C1CC1 ZINC000422712380 337683732 /nfs/dbraw/zinc/68/37/32/337683732.db2.gz NXVJDAKOIATQAE-FOIQADDNSA-N 2 0 309.457 3.959 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000422729272 337684309 /nfs/dbraw/zinc/68/43/09/337684309.db2.gz KGMWGCNQGABICU-VGDUNAEUSA-N 2 0 303.494 3.960 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000422764789 337685484 /nfs/dbraw/zinc/68/54/84/337685484.db2.gz QIGWNWRJQTVJQD-OLZOCXBDSA-N 2 0 318.383 3.580 20 0 DHADRP CCC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422767392 337685586 /nfs/dbraw/zinc/68/55/86/337685586.db2.gz MWOXEROQZDDQST-QCRHNUIXSA-N 2 0 322.537 3.728 20 0 DHADRP CCC(CC)(CN[C@@H]1CCC[C@H]1C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422773771 337685967 /nfs/dbraw/zinc/68/59/67/337685967.db2.gz ZECWQZOSKPRMJV-NZSAHSFTSA-N 2 0 317.521 3.613 20 0 DHADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422795369 337687002 /nfs/dbraw/zinc/68/70/02/337687002.db2.gz VJRRFNJOBQLXFA-RSPOEFSDSA-N 2 0 316.489 3.663 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000422801700 337687374 /nfs/dbraw/zinc/68/73/74/337687374.db2.gz AEVZKHDIEGHWTE-FOIQADDNSA-N 2 0 311.473 3.939 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422807202 337687454 /nfs/dbraw/zinc/68/74/54/337687454.db2.gz JICHQVUOPJBFGU-FUMNGEBKSA-N 2 0 300.490 3.937 20 0 DHADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000422817358 337687949 /nfs/dbraw/zinc/68/79/49/337687949.db2.gz CXTMBNOWINAARP-VNTMZGSJSA-N 2 0 322.537 3.872 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422820599 337687983 /nfs/dbraw/zinc/68/79/83/337687983.db2.gz RJZIEVFWRQINEA-BZZMCLGOSA-N 2 0 306.519 3.599 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422825051 337688284 /nfs/dbraw/zinc/68/82/84/337688284.db2.gz PBDVVWWYYASXNT-OLZOCXBDSA-N 2 0 304.459 3.639 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825572 337688300 /nfs/dbraw/zinc/68/83/00/337688300.db2.gz JSMRSDRRUZDGAF-OAUYIBNBSA-N 2 0 324.415 3.643 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000422861929 337689141 /nfs/dbraw/zinc/68/91/41/337689141.db2.gz PCIXPEODCQFEDS-ZFWWWQNUSA-N 2 0 315.486 3.905 20 0 DHADRP c1ccc(-c2nc3c(s2)[C@H]([NH2+]C2CC[NH2+]CC2)CCC3)cc1 ZINC000422865586 337689238 /nfs/dbraw/zinc/68/92/38/337689238.db2.gz YRGRUWBQFAQXSP-OAHLLOKOSA-N 2 0 313.470 3.529 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422870388 337689406 /nfs/dbraw/zinc/68/94/06/337689406.db2.gz YRKPMSLTOUAZQF-KRWDZBQOSA-N 2 0 312.457 3.620 20 0 DHADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422881148 337689838 /nfs/dbraw/zinc/68/98/38/337689838.db2.gz POYHOJUUPYIDLQ-KZNAEPCWSA-N 2 0 304.503 3.809 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1Br ZINC000422892324 337690415 /nfs/dbraw/zinc/69/04/15/337690415.db2.gz MSYZUYYFYNUMOW-QOZQQMKHSA-N 2 0 311.267 3.760 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000422896252 337690649 /nfs/dbraw/zinc/69/06/49/337690649.db2.gz HXFNDKWMOVBVFW-IRXDYDNUSA-N 2 0 310.457 3.647 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000422907580 337690655 /nfs/dbraw/zinc/69/06/55/337690655.db2.gz XCVOMEIHESNEBS-LBPRGKRZSA-N 2 0 311.454 3.914 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422910727 337690926 /nfs/dbraw/zinc/69/09/26/337690926.db2.gz RPDUXKGLDFPKOE-RHSMWYFYSA-N 2 0 306.881 3.739 20 0 DHADRP c1ccc(SC2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422909701 337690894 /nfs/dbraw/zinc/69/08/94/337690894.db2.gz OTQXKNMFYVWNBA-OKZBNKHCSA-N 2 0 316.514 3.822 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000422916855 337691209 /nfs/dbraw/zinc/69/12/09/337691209.db2.gz BSDTWMSXKJWQIK-AWEZNQCLSA-N 2 0 305.425 3.853 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926453 337691783 /nfs/dbraw/zinc/69/17/83/337691783.db2.gz DAHMXTDKNYLYPT-XUVXKRRUSA-N 2 0 312.501 3.910 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000422933444 337692245 /nfs/dbraw/zinc/69/22/45/337692245.db2.gz DLJROUKLJJJOKG-DJIMGWMZSA-N 2 0 322.880 3.749 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000422957629 337694868 /nfs/dbraw/zinc/69/48/68/337694868.db2.gz NTJWPUHRLBDSDU-PXNSSMCTSA-N 2 0 312.457 3.914 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000422957628 337694891 /nfs/dbraw/zinc/69/48/91/337694891.db2.gz NTJWPUHRLBDSDU-FXAWDEMLSA-N 2 0 312.457 3.914 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1=CCCCC1 ZINC000422966124 337695177 /nfs/dbraw/zinc/69/51/77/337695177.db2.gz QRDSLGRNAZKGAB-UYAOXDASSA-N 2 0 312.457 3.722 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423022236 337695988 /nfs/dbraw/zinc/69/59/88/337695988.db2.gz HEZDOZPRUFEIQY-BLLLJJGKSA-N 2 0 310.844 3.618 20 0 DHADRP c1cncc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000423044861 337697000 /nfs/dbraw/zinc/69/70/00/337697000.db2.gz BXVJFESAPKGNGX-QHAWAJNXSA-N 2 0 321.468 3.759 20 0 DHADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000423060597 337697698 /nfs/dbraw/zinc/69/76/98/337697698.db2.gz IOJILOHQYQZIRI-GUDVDZBRSA-N 2 0 322.537 3.874 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423063347 337697929 /nfs/dbraw/zinc/69/79/29/337697929.db2.gz WCEUKYCOSSKHHC-KZNAEPCWSA-N 2 0 304.503 3.560 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423063349 337697948 /nfs/dbraw/zinc/69/79/48/337697948.db2.gz WCEUKYCOSSKHHC-RCCFBDPRSA-N 2 0 304.503 3.560 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000423074360 337698238 /nfs/dbraw/zinc/69/82/38/337698238.db2.gz LITGTJRARWVUEU-WDEREUQCSA-N 2 0 303.372 3.620 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000423074359 337698356 /nfs/dbraw/zinc/69/83/56/337698356.db2.gz LITGTJRARWVUEU-QWRGUYRKSA-N 2 0 303.372 3.620 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423075375 337698376 /nfs/dbraw/zinc/69/83/76/337698376.db2.gz OKIDIDQKFRUBRE-HOTGVXAUSA-N 2 0 310.441 3.524 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000423079910 337698575 /nfs/dbraw/zinc/69/85/75/337698575.db2.gz YUZSHHAICWVAFY-MRXNPFEDSA-N 2 0 310.441 3.668 20 0 DHADRP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423079772 337698640 /nfs/dbraw/zinc/69/86/40/337698640.db2.gz AVCIHBMBUOPNEN-UAFMIMERSA-N 2 0 316.489 3.665 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092024 337698890 /nfs/dbraw/zinc/69/88/90/337698890.db2.gz AEJMDKUXWLGSPA-XOUADPBQSA-N 2 0 312.379 3.668 20 0 DHADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092133 337698970 /nfs/dbraw/zinc/69/89/70/337698970.db2.gz ARRDMUDZFPJTAI-FXRFXEHHSA-N 2 0 316.464 3.972 20 0 DHADRP FC(F)(F)c1cccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423097702 337699288 /nfs/dbraw/zinc/69/92/88/337699288.db2.gz REBOYYIEKGPXAW-ABWAJUOPSA-N 2 0 324.390 3.824 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423104744 337699684 /nfs/dbraw/zinc/69/96/84/337699684.db2.gz YNSNXMVNQCDIKD-UXIGCNINSA-N 2 0 300.368 3.668 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423128583 337700829 /nfs/dbraw/zinc/70/08/29/337700829.db2.gz LDJBAYXZZRCTIM-VBKZILBWSA-N 2 0 309.457 3.693 20 0 DHADRP Cc1cc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1Cl ZINC000423141683 337701309 /nfs/dbraw/zinc/70/13/09/337701309.db2.gz RICBIEBCZXDWAV-BEFAXECRSA-N 2 0 316.876 3.739 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423209720 337704181 /nfs/dbraw/zinc/70/41/81/337704181.db2.gz JJSAKVYAIIJKHG-HIFRSBDPSA-N 2 0 315.486 3.769 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423221188 337705378 /nfs/dbraw/zinc/70/53/78/337705378.db2.gz ZFCHLUWUKYGTEC-WFASDCNBSA-N 2 0 316.367 3.626 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423229060 337705884 /nfs/dbraw/zinc/70/58/84/337705884.db2.gz ADZOKZMVBBCWRB-FVQBIDKESA-N 2 0 312.379 3.683 20 0 DHADRP CC(C)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423249304 337707233 /nfs/dbraw/zinc/70/72/33/337707233.db2.gz OPEUGPSWAMFZBY-CJNGLKHVSA-N 2 0 314.395 3.992 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250436 337707413 /nfs/dbraw/zinc/70/74/13/337707413.db2.gz QEPGHNRUSIAHQS-JKSUJKDBSA-N 2 0 313.489 3.813 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CC[C@H]3CC[NH2+]C3)cs2)cs1 ZINC000423254553 337707560 /nfs/dbraw/zinc/70/75/60/337707560.db2.gz YLSKGHBYNGNHNC-DGCLKSJQSA-N 2 0 321.515 3.830 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423255326 337707726 /nfs/dbraw/zinc/70/77/26/337707726.db2.gz BRIBDZFSRUVMIO-BBRMVZONSA-N 2 0 308.853 3.533 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423255329 337707747 /nfs/dbraw/zinc/70/77/47/337707747.db2.gz BRIBDZFSRUVMIO-XJKSGUPXSA-N 2 0 308.853 3.533 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000423263615 337707968 /nfs/dbraw/zinc/70/79/68/337707968.db2.gz BEMZEISXKCRWQH-GARJFASQSA-N 2 0 317.296 3.679 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423261868 337708017 /nfs/dbraw/zinc/70/80/17/337708017.db2.gz SZEFMIZZINNXRF-IAGOWNOFSA-N 2 0 304.478 3.762 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Br)cs1 ZINC000423278379 337709063 /nfs/dbraw/zinc/70/90/63/337709063.db2.gz PSHPWSUCKNYYHN-NHCYSSNCSA-N 2 0 317.296 3.679 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423295949 337710745 /nfs/dbraw/zinc/71/07/45/337710745.db2.gz FXZHFDGTOPZVDZ-UHOFOFEASA-N 2 0 314.395 3.916 20 0 DHADRP CC(C)C[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423306467 337711325 /nfs/dbraw/zinc/71/13/25/337711325.db2.gz TZRKANCCWKYIKL-HNNXBMFYSA-N 2 0 300.368 3.602 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423310008 337711359 /nfs/dbraw/zinc/71/13/59/337711359.db2.gz RAXXZBPUNPEVHU-UGFHNGPFSA-N 2 0 300.368 3.526 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CC3(C)CC[NH2+]CC3)oc21 ZINC000423322505 337711898 /nfs/dbraw/zinc/71/18/98/337711898.db2.gz HITNEILSJUDADD-AWEZNQCLSA-N 2 0 316.445 3.872 20 0 DHADRP CC1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000423324841 337711991 /nfs/dbraw/zinc/71/19/91/337711991.db2.gz JCSZJPJSVVODCZ-OAHLLOKOSA-N 2 0 308.853 3.533 20 0 DHADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423332952 337712432 /nfs/dbraw/zinc/71/24/32/337712432.db2.gz HMZPQWCYFBTEGA-QAPCUYQASA-N 2 0 316.489 3.705 20 0 DHADRP CC1(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423338813 337712725 /nfs/dbraw/zinc/71/27/25/337712725.db2.gz UYSQIHUDXONQEI-WBVHZDCISA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(SCC(F)F)cc1 ZINC000423339478 337712874 /nfs/dbraw/zinc/71/28/74/337712874.db2.gz IUBCZBWCBHYGKH-GFCCVEGCSA-N 2 0 312.429 3.614 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OC(F)F)cc1 ZINC000423353391 337713766 /nfs/dbraw/zinc/71/37/66/337713766.db2.gz DADOKURXYUBQQW-GFCCVEGCSA-N 2 0 318.367 3.742 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C12CCCCC2 ZINC000423405697 337715907 /nfs/dbraw/zinc/71/59/07/337715907.db2.gz YIFNAVSYEUONAT-MOPGFXCFSA-N 2 0 314.473 3.507 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423405837 337715920 /nfs/dbraw/zinc/71/59/20/337715920.db2.gz UBLZCEGIYITBAK-WOSRLPQWSA-N 2 0 314.395 3.614 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423406829 337716033 /nfs/dbraw/zinc/71/60/33/337716033.db2.gz VDQLERVKZQJULS-DVOMOZLQSA-N 2 0 315.486 3.767 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423407325 337716133 /nfs/dbraw/zinc/71/61/33/337716133.db2.gz ZVIWFXHGPQIXNR-HNNXBMFYSA-N 2 0 310.441 3.928 20 0 DHADRP COCC1(C[NH2+][C@H](C)c2cccc(CC(C)C)c2)CC[NH2+]CC1 ZINC000423412938 337716292 /nfs/dbraw/zinc/71/62/92/337716292.db2.gz XRICKNWULDMWLO-QGZVFWFLSA-N 2 0 318.505 3.552 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423380762 337717709 /nfs/dbraw/zinc/71/77/09/337717709.db2.gz NXLCZASHDXWYIB-ZLDLUXBVSA-N 2 0 310.894 3.997 20 0 DHADRP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423390556 337718302 /nfs/dbraw/zinc/71/83/02/337718302.db2.gz OYCQLZQFSKQXDE-LAUBAEHRSA-N 2 0 322.452 3.547 20 0 DHADRP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccsc2S1 ZINC000423440785 337719245 /nfs/dbraw/zinc/71/92/45/337719245.db2.gz OUFWDMSLYNQBRB-BSLXNSKLSA-N 2 0 308.516 3.651 20 0 DHADRP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423452604 337720060 /nfs/dbraw/zinc/72/00/60/337720060.db2.gz ZHIMZJCNWVBYIN-BMGDILEWSA-N 2 0 308.416 3.640 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423458993 337720502 /nfs/dbraw/zinc/72/05/02/337720502.db2.gz QULCZSKWHIOTJG-NHYWBVRUSA-N 2 0 311.267 3.544 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000423460632 337720534 /nfs/dbraw/zinc/72/05/34/337720534.db2.gz MUDRWJFIJLUFFL-JMSVASOKSA-N 2 0 310.894 3.984 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423460435 337720544 /nfs/dbraw/zinc/72/05/44/337720544.db2.gz BGRIJBPTWRHCJX-NUJGCVRESA-N 2 0 306.519 3.910 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423460753 337720550 /nfs/dbraw/zinc/72/05/50/337720550.db2.gz NIZCYAWVRPELOP-DWIPRVAHSA-N 2 0 320.864 3.659 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1-c1cccc(Cl)c1 ZINC000423464994 337720694 /nfs/dbraw/zinc/72/06/94/337720694.db2.gz WHZGXUDFCNKASX-QWHCGFSZSA-N 2 0 320.868 3.612 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000423466658 337720855 /nfs/dbraw/zinc/72/08/55/337720855.db2.gz ISRFKWXZEQEKMY-FDQGKXFDSA-N 2 0 306.881 3.768 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423471794 337721312 /nfs/dbraw/zinc/72/13/12/337721312.db2.gz ZTMHPKNGAZXCFC-GXTWGEPZSA-N 2 0 300.899 3.928 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423476198 337721619 /nfs/dbraw/zinc/72/16/19/337721619.db2.gz IPINLEAXKPTKRD-GOEBONIOSA-N 2 0 315.486 3.993 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423480131 337721849 /nfs/dbraw/zinc/72/18/49/337721849.db2.gz MZWJLKZGUQIHOH-CJNGLKHVSA-N 2 0 308.853 3.676 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423480130 337721871 /nfs/dbraw/zinc/72/18/71/337721871.db2.gz MZWJLKZGUQIHOH-BBRMVZONSA-N 2 0 308.853 3.676 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000423487572 337722303 /nfs/dbraw/zinc/72/23/03/337722303.db2.gz CSRKWTZQIIOWBB-SQGPQFPESA-N 2 0 308.469 3.924 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000423493634 337722767 /nfs/dbraw/zinc/72/27/67/337722767.db2.gz QLMAVOQACOODEZ-ZSZQSSIHSA-N 2 0 302.462 3.644 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000423496710 337722927 /nfs/dbraw/zinc/72/29/27/337722927.db2.gz FKMVASILHVIABV-RDTXWAMCSA-N 2 0 316.420 3.965 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423495819 337722969 /nfs/dbraw/zinc/72/29/69/337722969.db2.gz CRNJCUHHLZBMFN-WOJBJXKFSA-N 2 0 310.441 3.752 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C12CCCC2 ZINC000423511569 337723951 /nfs/dbraw/zinc/72/39/51/337723951.db2.gz NOJPVGWCEIIZBR-GUDVDZBRSA-N 2 0 316.489 3.794 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423514330 337724092 /nfs/dbraw/zinc/72/40/92/337724092.db2.gz WHCLQIGJQDTCBY-RBUKOAKNSA-N 2 0 310.441 3.752 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000423519855 337724340 /nfs/dbraw/zinc/72/43/40/337724340.db2.gz QQLJDTYVCAJFNL-HAGHYFMRSA-N 2 0 316.489 3.652 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[C@H](C[NH3+])C3)oc21 ZINC000423524827 337724543 /nfs/dbraw/zinc/72/45/43/337724543.db2.gz ZZOHYYCSMWTMOG-YDHLFZDLSA-N 2 0 302.418 3.610 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1F ZINC000423537437 337724965 /nfs/dbraw/zinc/72/49/65/337724965.db2.gz DADXJQXMIFARJD-IATRGZMQSA-N 2 0 310.844 3.908 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(OC(F)F)cc1 ZINC000423538971 337725143 /nfs/dbraw/zinc/72/51/43/337725143.db2.gz HKZYONCIBNLCIA-MPTYRVRUSA-N 2 0 324.415 3.717 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423542702 337725228 /nfs/dbraw/zinc/72/52/28/337725228.db2.gz MNSOFKQCGSOCGU-GBJTYRQASA-N 2 0 324.415 3.635 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](c2ccccc2)C1 ZINC000423543588 337725279 /nfs/dbraw/zinc/72/52/79/337725279.db2.gz NIIMDZHXKADBCG-JVXFDKDJSA-N 2 0 312.501 3.937 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000423546683 337725286 /nfs/dbraw/zinc/72/52/86/337725286.db2.gz ZGFMKFHLLKTORT-MRXNPFEDSA-N 2 0 307.441 3.709 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000423546676 337725345 /nfs/dbraw/zinc/72/53/45/337725345.db2.gz ZGFMKFHLLKTORT-INIZCTEOSA-N 2 0 307.441 3.709 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423548282 337725432 /nfs/dbraw/zinc/72/54/32/337725432.db2.gz MKXLDKZYWIIBTR-DSLXNQLJSA-N 2 0 316.489 3.904 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423556845 337725470 /nfs/dbraw/zinc/72/54/70/337725470.db2.gz ZHSGIPBYKMHHQH-RUDNTAQLSA-N 2 0 324.921 3.871 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423555049 337725472 /nfs/dbraw/zinc/72/54/72/337725472.db2.gz XRFKQHLEUSRJSX-NMLBUPMWSA-N 2 0 300.490 3.622 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424296814 337817005 /nfs/dbraw/zinc/81/70/05/337817005.db2.gz FZNKGDCUYHVIMW-GXUNQHPWSA-N 2 0 322.537 3.680 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C[C@H]2C1 ZINC000424325669 337821248 /nfs/dbraw/zinc/82/12/48/337821248.db2.gz XZBRVJGSQGRPNU-VUDASAJCSA-N 2 0 320.521 3.577 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000544069658 337861265 /nfs/dbraw/zinc/86/12/65/337861265.db2.gz JKWWRMCJQRCSPN-UHFFFAOYSA-N 2 0 308.897 3.936 20 0 DHADRP C[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000057993964 337866498 /nfs/dbraw/zinc/86/64/98/337866498.db2.gz IHDCDVNJBKMXOY-CYBMUJFWSA-N 2 0 300.368 3.527 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000119890475 337867386 /nfs/dbraw/zinc/86/73/86/337867386.db2.gz KROFPOIPZDUDSY-UHFFFAOYSA-N 2 0 305.510 3.744 20 0 DHADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122290143 337913750 /nfs/dbraw/zinc/91/37/50/337913750.db2.gz MNWLRGSXCOUXDD-FQEVSTJZSA-N 2 0 324.468 3.713 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3nc(CC)sc32)CC1 ZINC000122729818 337924404 /nfs/dbraw/zinc/92/44/04/337924404.db2.gz KCWXSQOSIBNDEG-OAHLLOKOSA-N 2 0 321.534 3.795 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516273647 338009356 /nfs/dbraw/zinc/00/93/56/338009356.db2.gz LVXVREXGVZCXME-UIAACRFSSA-N 2 0 309.457 3.836 20 0 DHADRP COC(C)(C)C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000516548798 338015132 /nfs/dbraw/zinc/01/51/32/338015132.db2.gz LKLOMXODTPDNJD-UHFFFAOYSA-N 2 0 304.478 3.529 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cc2C)[C@H](C)C1 ZINC000426303280 338025811 /nfs/dbraw/zinc/02/58/11/338025811.db2.gz LZKBFAKWIOIZCY-MJGOQNOKSA-N 2 0 302.506 3.901 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nc(C)sc3c2)C[C@H]1C ZINC000426416813 338031499 /nfs/dbraw/zinc/03/14/99/338031499.db2.gz MECBIECGQNDHRH-CZUORRHYSA-N 2 0 317.502 3.909 20 0 DHADRP COCC(C)(C)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000426422383 338031798 /nfs/dbraw/zinc/03/17/98/338031798.db2.gz UTQVYNDOAVSZQC-KRWDZBQOSA-N 2 0 310.526 3.636 20 0 DHADRP C[N@@H+]1CC[C@@]2(CCN(CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036021 338069471 /nfs/dbraw/zinc/06/94/71/338069471.db2.gz ORUUCUDMLZCVCC-MRXNPFEDSA-N 2 0 313.272 3.564 20 0 DHADRP COC1(C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000429370634 338078870 /nfs/dbraw/zinc/07/88/70/338078870.db2.gz WMLCSLJVUQLTFY-QGZVFWFLSA-N 2 0 316.489 3.720 20 0 DHADRP COC1(C[C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCC1 ZINC000429438939 338081034 /nfs/dbraw/zinc/08/10/34/338081034.db2.gz ZMAQBTSONWEGMM-VIQWUECVSA-N 2 0 322.537 3.967 20 0 DHADRP C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000429542401 338083518 /nfs/dbraw/zinc/08/35/18/338083518.db2.gz YAIMFDNQVDCMGJ-CQSZACIVSA-N 2 0 301.261 3.910 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2cccc3ccccc32)CC1 ZINC000429543420 338083571 /nfs/dbraw/zinc/08/35/71/338083571.db2.gz WBDVLZXRCYJOSV-GOSISDBHSA-N 2 0 312.457 3.635 20 0 DHADRP CC(C)C[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430139418 338098807 /nfs/dbraw/zinc/09/88/07/338098807.db2.gz PTBCONMNJLJMCB-WOJBJXKFSA-N 2 0 300.490 3.844 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4)s3)C2)C1 ZINC000430147216 338099082 /nfs/dbraw/zinc/09/90/82/338099082.db2.gz KROOYFGHYQIYPJ-IBGZPJMESA-N 2 0 312.482 3.943 20 0 DHADRP CCC(CC)(C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000430151488 338099258 /nfs/dbraw/zinc/09/92/58/338099258.db2.gz UUJBQRKVYPAKQD-MJGOQNOKSA-N 2 0 318.505 3.692 20 0 DHADRP CCC(CC)(C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000430151486 338099343 /nfs/dbraw/zinc/09/93/43/338099343.db2.gz UUJBQRKVYPAKQD-HKUYNNGSSA-N 2 0 318.505 3.692 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000430616293 338109921 /nfs/dbraw/zinc/10/99/21/338109921.db2.gz APDNKXAPOSTUJJ-AWEZNQCLSA-N 2 0 312.910 3.754 20 0 DHADRP c1sc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1-c1ccccc1 ZINC000430918355 338118897 /nfs/dbraw/zinc/11/88/97/338118897.db2.gz HFNCXYPMSQSELW-UHFFFAOYSA-N 2 0 312.482 3.991 20 0 DHADRP Clc1ccc(SCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431015992 338120646 /nfs/dbraw/zinc/12/06/46/338120646.db2.gz YAFCDHPPQSTDSI-UHFFFAOYSA-N 2 0 310.894 3.508 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000431333429 338128259 /nfs/dbraw/zinc/12/82/59/338128259.db2.gz OPWHBFOHYMDCMF-INIZCTEOSA-N 2 0 310.869 3.794 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)C1 ZINC000431347771 338128864 /nfs/dbraw/zinc/12/88/64/338128864.db2.gz HNGMHDSCZIYECL-APWZRJJASA-N 2 0 316.489 3.955 20 0 DHADRP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432412671 338155384 /nfs/dbraw/zinc/15/53/84/338155384.db2.gz CTPMJUHEMLNCAT-PKOBYXMFSA-N 2 0 304.478 3.618 20 0 DHADRP CCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423844 338156071 /nfs/dbraw/zinc/15/60/71/338156071.db2.gz LJJIRPWBTHXEJU-ZWKOTPCHSA-N 2 0 318.505 3.791 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)s1 ZINC000432744179 338165641 /nfs/dbraw/zinc/16/56/41/338165641.db2.gz FJIPCVZUFRVSPI-UHFFFAOYSA-N 2 0 315.364 3.870 20 0 DHADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000432790082 338167884 /nfs/dbraw/zinc/16/78/84/338167884.db2.gz VJUWPYCVXVDCSJ-MRXNPFEDSA-N 2 0 314.429 3.988 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432793504 338167993 /nfs/dbraw/zinc/16/79/93/338167993.db2.gz PYHGFDPRCDEOLK-QGZVFWFLSA-N 2 0 312.457 3.765 20 0 DHADRP CC[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435394448 338238877 /nfs/dbraw/zinc/23/88/77/338238877.db2.gz NKUIYPTUNBCVDI-HXUWFJFHSA-N 2 0 309.457 3.713 20 0 DHADRP COc1ccccc1-c1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000435393526 338238909 /nfs/dbraw/zinc/23/89/09/338238909.db2.gz GQTUTQVXAIHZBD-INIZCTEOSA-N 2 0 324.468 3.921 20 0 DHADRP CCN(Cc1csc(C2CCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435614955 338243657 /nfs/dbraw/zinc/24/36/57/338243657.db2.gz OBTDNYPKHGGHIJ-INIZCTEOSA-N 2 0 307.507 3.765 20 0 DHADRP c1csc(C[N@@H+](CCC2CCCC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435691621 338245554 /nfs/dbraw/zinc/24/55/54/338245554.db2.gz HDTQFRRNTBUJIO-INIZCTEOSA-N 2 0 319.518 3.668 20 0 DHADRP CSc1ccc(CC[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000435742725 338247437 /nfs/dbraw/zinc/24/74/37/338247437.db2.gz WXOJCKACCHLUBC-UHFFFAOYSA-N 2 0 323.465 3.927 20 0 DHADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000436283508 338265730 /nfs/dbraw/zinc/26/57/30/338265730.db2.gz LPKNWEACSVZTCD-IBGZPJMESA-N 2 0 321.553 3.636 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000436481433 338273716 /nfs/dbraw/zinc/27/37/16/338273716.db2.gz AKAYCOGRYBOIHL-UHFFFAOYSA-N 2 0 318.505 3.948 20 0 DHADRP C[NH+](C)CC1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000437582230 338314566 /nfs/dbraw/zinc/31/45/66/338314566.db2.gz NAHYIOFGKSWQRA-VQTJNVASSA-N 2 0 300.490 3.770 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000437765609 338320552 /nfs/dbraw/zinc/32/05/52/338320552.db2.gz RZCCDZMBUPLAOF-WOJBJXKFSA-N 2 0 300.490 3.961 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000437774527 338320836 /nfs/dbraw/zinc/32/08/36/338320836.db2.gz LKVBFBCHXNCVAP-IAGOWNOFSA-N 2 0 306.469 3.714 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438103815 338331763 /nfs/dbraw/zinc/33/17/63/338331763.db2.gz IVGPAZSZAGDTEV-UHFFFAOYSA-N 2 0 317.452 3.861 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCOc2ccccc2)[C@H](C)C1 ZINC000438116883 338333004 /nfs/dbraw/zinc/33/30/04/338333004.db2.gz KQIYQYJZIBTUFL-QUCCMNQESA-N 2 0 318.505 3.898 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438117491 338333046 /nfs/dbraw/zinc/33/30/46/338333046.db2.gz VSABBBDNRLSJLJ-WOJBJXKFSA-N 2 0 300.490 3.770 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130938 338333863 /nfs/dbraw/zinc/33/38/63/338333863.db2.gz VLHMADZCKSJSAP-DLBZAZTESA-N 2 0 304.453 3.737 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000438202709 338336408 /nfs/dbraw/zinc/33/64/08/338336408.db2.gz QEIWSUXIKSBZMO-JSGCOSHPSA-N 2 0 304.400 3.714 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CC(F)(F)C2)C1 ZINC000450407687 338384740 /nfs/dbraw/zinc/38/47/40/338384740.db2.gz ULWYLSCTUORSDX-GJZGRUSLSA-N 2 0 300.437 3.618 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442779618 338430698 /nfs/dbraw/zinc/43/06/98/338430698.db2.gz MHPGRGSKBMHTAX-MRXNPFEDSA-N 2 0 313.489 3.737 20 0 DHADRP c1c2ccccc2sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446891322 338539902 /nfs/dbraw/zinc/53/99/02/338539902.db2.gz XBBXFLRYQKNQSN-UHFFFAOYSA-N 2 0 300.471 3.865 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000446940145 338541472 /nfs/dbraw/zinc/54/14/72/338541472.db2.gz SBLSHVTZVCMPTM-FQEVSTJZSA-N 2 0 318.505 3.690 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000447559575 338556826 /nfs/dbraw/zinc/55/68/26/338556826.db2.gz UMEVGVLBFKPESN-GOSISDBHSA-N 2 0 308.416 3.880 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1Cl ZINC000447793596 338566559 /nfs/dbraw/zinc/56/65/59/338566559.db2.gz DHWLJLKZXHHUAL-UHFFFAOYSA-N 2 0 306.881 3.956 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000449184151 338600209 /nfs/dbraw/zinc/60/02/09/338600209.db2.gz DDEUIFGUHRTPSS-APWZRJJASA-N 2 0 318.530 3.567 20 0 DHADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000449193870 338601344 /nfs/dbraw/zinc/60/13/44/338601344.db2.gz TZPWVIFGYFUXAA-MDNKFWRPSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449289103 338609737 /nfs/dbraw/zinc/60/97/37/338609737.db2.gz QKXMEYZJMZVTIK-OAHLLOKOSA-N 2 0 312.457 3.828 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449289102 338609847 /nfs/dbraw/zinc/60/98/47/338609847.db2.gz QKXMEYZJMZVTIK-HNNXBMFYSA-N 2 0 312.457 3.828 20 0 DHADRP CCSCCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449307293 338611489 /nfs/dbraw/zinc/61/14/89/338611489.db2.gz ORPPJFJVCHKJJM-KRWDZBQOSA-N 2 0 320.546 3.815 20 0 DHADRP Cc1ncsc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449468794 338627793 /nfs/dbraw/zinc/62/77/93/338627793.db2.gz QNLWTSACQIXCPP-RHSMWYFYSA-N 2 0 321.534 3.627 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453089126 338792421 /nfs/dbraw/zinc/79/24/21/338792421.db2.gz QTYHYKKRYYWIDT-QGZVFWFLSA-N 2 0 303.494 3.503 20 0 DHADRP CCn1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+](CC)CC)cn1 ZINC000194979768 338808489 /nfs/dbraw/zinc/80/84/89/338808489.db2.gz IXYQOVUXOJMNOT-INIZCTEOSA-N 2 0 314.477 3.596 20 0 DHADRP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCc1cncn1C ZINC000459341508 339022913 /nfs/dbraw/zinc/02/29/13/339022913.db2.gz JMBTUKZBBOMSHF-LLVKDONJSA-N 2 0 324.255 3.889 20 0 DHADRP CC(C)OC1CC([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459343699 339023071 /nfs/dbraw/zinc/02/30/71/339023071.db2.gz SZCWFUPLXUDLOF-LMDPOFIKSA-N 2 0 308.510 3.530 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000459417165 339028120 /nfs/dbraw/zinc/02/81/20/339028120.db2.gz VRXMANCGQQQQNO-UHFFFAOYSA-N 2 0 310.526 3.776 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)CC1 ZINC000459433786 339029025 /nfs/dbraw/zinc/02/90/25/339029025.db2.gz TXJGSOWNMUXFED-OAHLLOKOSA-N 2 0 323.431 3.834 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459639718 339039699 /nfs/dbraw/zinc/03/96/99/339039699.db2.gz VWBFMLPEJJHYRH-YSHGAJCASA-N 2 0 308.510 3.575 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459639713 339039789 /nfs/dbraw/zinc/03/97/89/339039789.db2.gz VWBFMLPEJJHYRH-DSLXNQLJSA-N 2 0 308.510 3.575 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459658535 339041175 /nfs/dbraw/zinc/04/11/75/339041175.db2.gz KVDZKGGOLGVRCU-QZTJIDSGSA-N 2 0 320.440 3.854 20 0 DHADRP c1[nH+]cn2cc(C[NH2+]C3CCC(OC4CCCC4)CC3)ccc12 ZINC000459661804 339041339 /nfs/dbraw/zinc/04/13/39/339041339.db2.gz RZMAAPSBRMLOQS-UHFFFAOYSA-N 2 0 313.445 3.694 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C)C1 ZINC000459670596 339042029 /nfs/dbraw/zinc/04/20/29/339042029.db2.gz UEVKDHJNDRKVHQ-CZPYZCIJSA-N 2 0 310.844 3.655 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC000459725969 339044635 /nfs/dbraw/zinc/04/46/35/339044635.db2.gz FTZAJFWTCASDPY-OAHLLOKOSA-N 2 0 315.486 3.632 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000459728983 339044661 /nfs/dbraw/zinc/04/46/61/339044661.db2.gz CXZJWGZWJYQXDX-NSHDSACASA-N 2 0 306.397 3.588 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000459727823 339044711 /nfs/dbraw/zinc/04/47/11/339044711.db2.gz HNEPYJPCASUFQP-KRWDZBQOSA-N 2 0 309.457 3.570 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000459800224 339049292 /nfs/dbraw/zinc/04/92/92/339049292.db2.gz ZILZSEMJGPZFDR-QQFBHYJXSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750238 339086769 /nfs/dbraw/zinc/08/67/69/339086769.db2.gz NBQMLBJFKPVJDE-SJORKVTESA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000462774908 339088026 /nfs/dbraw/zinc/08/80/26/339088026.db2.gz PIVGASCQINFHQQ-FUHWJXTLSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000462799128 339089523 /nfs/dbraw/zinc/08/95/23/339089523.db2.gz RDAKIZVODNYYGC-UAFMIMERSA-N 2 0 322.537 3.683 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2(COC)CCC2)CC1)CC1CC1 ZINC000463153569 339107425 /nfs/dbraw/zinc/10/74/25/339107425.db2.gz BGDGCESQUIKXEB-UHFFFAOYSA-N 2 0 322.537 3.637 20 0 DHADRP CCOC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000463278291 339113027 /nfs/dbraw/zinc/11/30/27/339113027.db2.gz NFBHBVQZMOGSSY-HOJAQTOUSA-N 2 0 318.505 3.690 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCCC2CCOCC2)CC1 ZINC000463288958 339113495 /nfs/dbraw/zinc/11/34/95/339113495.db2.gz RIJZREOGMZLHJD-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP CC/C=C/CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000466236550 339197453 /nfs/dbraw/zinc/19/74/53/339197453.db2.gz PRLHMIPHCGSMSH-SNAWJCMRSA-N 2 0 301.478 3.976 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000467342334 339232612 /nfs/dbraw/zinc/23/26/12/339232612.db2.gz SVUKEIXIXOEOFL-QYZOEREBSA-N 2 0 315.505 3.738 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000467369902 339234684 /nfs/dbraw/zinc/23/46/84/339234684.db2.gz MVHODZOTSSREQC-WMZOPIPTSA-N 2 0 322.468 3.778 20 0 DHADRP CC[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000467551470 339242062 /nfs/dbraw/zinc/24/20/62/339242062.db2.gz BPTFSUORWVKLOO-IBGZPJMESA-N 2 0 318.505 3.646 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@H](C)C1 ZINC000468801432 339271230 /nfs/dbraw/zinc/27/12/30/339271230.db2.gz BRZBZTRBRVHKLM-MJGOQNOKSA-N 2 0 300.490 3.818 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2Cl)[C@H](C)C1 ZINC000469088282 339279789 /nfs/dbraw/zinc/27/97/89/339279789.db2.gz VEEGXVXCJPQPAN-PBHICJAKSA-N 2 0 308.897 3.938 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000469165559 339281882 /nfs/dbraw/zinc/28/18/82/339281882.db2.gz XEVSXBZITXSACV-QWHCGFSZSA-N 2 0 318.383 3.619 20 0 DHADRP CC[N@@H+]1CC[C@@H](NCc2ccc(C)cc2OC(C)(C)C)[C@@H](C)C1 ZINC000469179342 339282231 /nfs/dbraw/zinc/28/22/31/339282231.db2.gz UDGDKACXZMBGPT-FUHWJXTLSA-N 2 0 318.505 3.992 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000469303687 339285691 /nfs/dbraw/zinc/28/56/91/339285691.db2.gz VPUKKUANRISQPR-LNLFQRSKSA-N 2 0 318.505 3.992 20 0 DHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000469851791 339302565 /nfs/dbraw/zinc/30/25/65/339302565.db2.gz LYSAYBNMZJMMNU-JSGCOSHPSA-N 2 0 304.434 3.723 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000469859340 339302845 /nfs/dbraw/zinc/30/28/45/339302845.db2.gz BEPOPJJXFCIHBY-UHFFFAOYSA-N 2 0 300.446 3.871 20 0 DHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(OC(F)F)ccc2ccccc21 ZINC000469864066 339303128 /nfs/dbraw/zinc/30/31/28/339303128.db2.gz RCJUKABBZZHBFM-OLZOCXBDSA-N 2 0 320.383 3.610 20 0 DHADRP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1OC(F)F ZINC000470008626 339308198 /nfs/dbraw/zinc/30/81/98/339308198.db2.gz JVWTWRVRPGOBTQ-XYPWUTKMSA-N 2 0 324.415 3.620 20 0 DHADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1c1ccccc1 ZINC000472587515 339374397 /nfs/dbraw/zinc/37/43/97/339374397.db2.gz YAKZLFWRMTUBOM-YZGWKJHDSA-N 2 0 300.490 3.986 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000474032087 339397868 /nfs/dbraw/zinc/39/78/68/339397868.db2.gz IPEYBKPKQPZSNK-IBGZPJMESA-N 2 0 316.489 3.880 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC000474048990 339399134 /nfs/dbraw/zinc/39/91/34/339399134.db2.gz ZBMMFZJEHALSMI-CABCVRRESA-N 2 0 302.453 3.912 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000474796796 339426394 /nfs/dbraw/zinc/42/63/94/339426394.db2.gz BWRDHTDLKQQFIY-PMACEKPBSA-N 2 0 317.521 3.813 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000475208091 339441646 /nfs/dbraw/zinc/44/16/46/339441646.db2.gz IKRIWWKCFZBOGP-SJORKVTESA-N 2 0 318.505 3.899 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CC2)cc1 ZINC000479552632 339540760 /nfs/dbraw/zinc/54/07/60/339540760.db2.gz IFZFJDOHFNELFA-CBNMVNINSA-N 2 0 312.501 3.923 20 0 DHADRP CCC(CC)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000480526484 339576007 /nfs/dbraw/zinc/57/60/07/339576007.db2.gz ICYUNWZHEMIMQF-HXUWFJFHSA-N 2 0 323.569 3.740 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000480602254 339579098 /nfs/dbraw/zinc/57/90/98/339579098.db2.gz BIJFIHWHUYEPPW-LJQANCHMSA-N 2 0 304.453 3.915 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000483861771 339677039 /nfs/dbraw/zinc/67/70/39/339677039.db2.gz JXTGMIYWZYISIW-SFHVURJKSA-N 2 0 304.478 3.781 20 0 DHADRP Fc1ccc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)[nH]c2c1 ZINC000486705917 339731883 /nfs/dbraw/zinc/73/18/83/339731883.db2.gz DUTSHYKENMCMCH-UHFFFAOYSA-N 2 0 315.436 3.804 20 0 DHADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000486948877 339739607 /nfs/dbraw/zinc/73/96/07/339739607.db2.gz GZPDFXSZRXOTBA-GOSISDBHSA-N 2 0 304.503 3.515 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2sccc2Cl)cc1F ZINC000487550900 339756726 /nfs/dbraw/zinc/75/67/26/339756726.db2.gz MUXGXAYUWJSQMO-UHFFFAOYSA-N 2 0 312.841 3.892 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CS1 ZINC000488437067 339782153 /nfs/dbraw/zinc/78/21/53/339782153.db2.gz YFTBWZUITOVZNX-RDJZCZTQSA-N 2 0 310.482 3.507 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000488465650 339784149 /nfs/dbraw/zinc/78/41/49/339784149.db2.gz UABSENAFRZSFRC-SJORKVTESA-N 2 0 306.519 3.758 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500429242 340058356 /nfs/dbraw/zinc/05/83/56/340058356.db2.gz NKWQCEFDDGGKGD-QWFCFKBJSA-N 2 0 318.505 3.690 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000501416397 340080567 /nfs/dbraw/zinc/08/05/67/340080567.db2.gz DOSVSYBATUJXSA-ZWKOTPCHSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000501476416 340081873 /nfs/dbraw/zinc/08/18/73/340081873.db2.gz LGTRIUBHSGMHGR-SFHVURJKSA-N 2 0 318.505 3.966 20 0 DHADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501876507 340090218 /nfs/dbraw/zinc/09/02/18/340090218.db2.gz NWOKJPHQSJOCDB-UXHICEINSA-N 2 0 323.569 3.597 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCCC1 ZINC000502265807 340098168 /nfs/dbraw/zinc/09/81/68/340098168.db2.gz CIAFSYRZKWMERH-RBUKOAKNSA-N 2 0 322.537 3.826 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000502447241 340103859 /nfs/dbraw/zinc/10/38/59/340103859.db2.gz SLRZDDAQYYDJKC-HOJAQTOUSA-N 2 0 318.505 3.692 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCOC ZINC000502480136 340105516 /nfs/dbraw/zinc/10/55/16/340105516.db2.gz GKNWDFFQOJKZES-VJANTYMQSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000502696751 340111068 /nfs/dbraw/zinc/11/10/68/340111068.db2.gz FREDLYKODNRUQW-XLIONFOSSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000503556786 340130467 /nfs/dbraw/zinc/13/04/67/340130467.db2.gz FWRLJHALJTYCHN-RBUKOAKNSA-N 2 0 322.537 3.970 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000503899619 340136110 /nfs/dbraw/zinc/13/61/10/340136110.db2.gz FCPLILNLAILZBL-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000504900022 340155281 /nfs/dbraw/zinc/15/52/81/340155281.db2.gz PZLOFGJNGBDITA-CVEARBPZSA-N 2 0 322.468 3.997 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000401039818 340161010 /nfs/dbraw/zinc/16/10/10/340161010.db2.gz DEMLPBJNBMRSFB-ZGMNHVEMSA-N 2 0 312.379 3.744 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCc2ccccc2OC)CC1 ZINC000505528259 340170454 /nfs/dbraw/zinc/17/04/54/340170454.db2.gz PFYFQKVOBCPYSB-UHFFFAOYSA-N 2 0 318.505 3.682 20 0 DHADRP CC(C)[NH+]1CCC(N(C)CCOc2ccccc2Cl)CC1 ZINC000507337654 340217481 /nfs/dbraw/zinc/21/74/81/340217481.db2.gz DHKJPHDMRBEBJW-UHFFFAOYSA-N 2 0 310.869 3.523 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000507467589 340221029 /nfs/dbraw/zinc/22/10/29/340221029.db2.gz GBBZZXQMRGUXHD-DLBZAZTESA-N 2 0 303.494 3.949 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000507629292 340226886 /nfs/dbraw/zinc/22/68/86/340226886.db2.gz ZYKBAMCNHMBUJH-RBUKOAKNSA-N 2 0 310.526 3.636 20 0 DHADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000507798874 340231820 /nfs/dbraw/zinc/23/18/20/340231820.db2.gz SMGTWDNEUJYRML-WOJBJXKFSA-N 2 0 322.537 3.780 20 0 DHADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000507842702 340233843 /nfs/dbraw/zinc/23/38/43/340233843.db2.gz YLJLNKIJJHFVPD-SFHVURJKSA-N 2 0 319.493 3.634 20 0 DHADRP CC(C)CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000508534454 340246102 /nfs/dbraw/zinc/24/61/02/340246102.db2.gz OJZILYPIFFNVMB-IBGZPJMESA-N 2 0 318.505 3.885 20 0 DHADRP FCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509375881 340267680 /nfs/dbraw/zinc/26/76/80/340267680.db2.gz XZDKLJTYQLVFSN-MOPGFXCFSA-N 2 0 304.453 3.723 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509603805 340274427 /nfs/dbraw/zinc/27/44/27/340274427.db2.gz WSQFPZVVNBRJGW-HZPDHXFCSA-N 2 0 306.469 3.982 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000510116325 340289260 /nfs/dbraw/zinc/28/92/60/340289260.db2.gz ACDMQAATMLOCID-FHERZECASA-N 2 0 306.881 3.908 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000510396996 340297755 /nfs/dbraw/zinc/29/77/55/340297755.db2.gz OOXSDKFBWFWSMJ-DNVCBOLYSA-N 2 0 304.453 3.867 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[NH+]1CCCCC1 ZINC000510669937 340305908 /nfs/dbraw/zinc/30/59/08/340305908.db2.gz MDUAIMVWLCUPOC-HNNXBMFYSA-N 2 0 310.432 3.752 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510707789 340307422 /nfs/dbraw/zinc/30/74/22/340307422.db2.gz YGTWKPOSJVYJMK-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP COCC[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979612 340316878 /nfs/dbraw/zinc/31/68/78/340316878.db2.gz VTMQAKSCQSUXAG-WDSOQIARSA-N 2 0 318.505 3.863 20 0 DHADRP C[NH+](C)CCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511605373 340332125 /nfs/dbraw/zinc/33/21/25/340332125.db2.gz PXCIRTGMHDYNGZ-HNNXBMFYSA-N 2 0 316.367 3.578 20 0 DHADRP C[C@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000512107159 340348650 /nfs/dbraw/zinc/34/86/50/340348650.db2.gz PTYBTVYROIZWHH-IYKSTZQJSA-N 2 0 308.416 3.690 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000512115639 340349001 /nfs/dbraw/zinc/34/90/01/340349001.db2.gz QMDLBBIFKWACQV-SNAWJCMRSA-N 2 0 308.416 3.832 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CC=CCC4)[C@@H]3C2)cc1 ZINC000512672692 340372541 /nfs/dbraw/zinc/37/25/41/340372541.db2.gz LUGCTFGNGQITLU-UWHLTILDSA-N 2 0 310.485 3.985 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513224868 340398071 /nfs/dbraw/zinc/39/80/71/340398071.db2.gz WOLBGBJITFLHNR-MJGOQNOKSA-N 2 0 324.553 3.950 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513223711 340398128 /nfs/dbraw/zinc/39/81/28/340398128.db2.gz NQLDTRYIFJPWKL-PKOBYXMFSA-N 2 0 324.553 3.950 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000178137160 340447260 /nfs/dbraw/zinc/44/72/60/340447260.db2.gz AHPZELXQLJDCLZ-SFHVURJKSA-N 2 0 318.505 3.967 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211985 340782672 /nfs/dbraw/zinc/78/26/72/340782672.db2.gz PPKHLFLAFIWARE-WMLDXEAASA-N 2 0 300.471 3.893 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC[C@H]1CC=CCC1 ZINC000530217496 340783013 /nfs/dbraw/zinc/78/30/13/340783013.db2.gz BSJHOUPYWPYSRY-QRFRQXIXSA-N 2 0 312.457 3.578 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCOC1 ZINC000125062633 340802191 /nfs/dbraw/zinc/80/21/91/340802191.db2.gz HMSATTPHVTVCCH-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000125522136 340804717 /nfs/dbraw/zinc/80/47/17/340804717.db2.gz VYRJYYHICNPDPS-GOSISDBHSA-N 2 0 306.519 3.984 20 0 DHADRP C[C@@H]([NH2+]CCC1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539067262 340870080 /nfs/dbraw/zinc/87/00/80/340870080.db2.gz DVNLNGHOYCYBDM-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000541568642 340975112 /nfs/dbraw/zinc/97/51/12/340975112.db2.gz ZQQJQRDFOFVDBZ-YJBOKZPZSA-N 2 0 322.518 3.563 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000541737219 340981659 /nfs/dbraw/zinc/98/16/59/340981659.db2.gz RGYMIEGXIKMJGR-KDOFPFPSSA-N 2 0 324.896 3.664 20 0 DHADRP CCC1([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000541908956 340988427 /nfs/dbraw/zinc/98/84/27/340988427.db2.gz YCOSPXZXGMVZPS-AEFFLSMTSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130074845 340996657 /nfs/dbraw/zinc/99/66/57/340996657.db2.gz BZKHFXYQAHAXGK-HUUCEWRRSA-N 2 0 306.416 3.819 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000542277851 341003155 /nfs/dbraw/zinc/00/31/55/341003155.db2.gz AFTJUPMMVMVLEC-RDTXWAMCSA-N 2 0 306.881 3.991 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCCCS3)CC2)C1 ZINC000542485317 341009653 /nfs/dbraw/zinc/00/96/53/341009653.db2.gz CHRBTZBCAOERCZ-NJAFHUGGSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000542507224 341011012 /nfs/dbraw/zinc/01/10/12/341011012.db2.gz JFJGGUHKZSDHKG-AZUAARDMSA-N 2 0 322.537 3.922 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000542697430 341017741 /nfs/dbraw/zinc/01/77/41/341017741.db2.gz PCEWGLQGXISIES-FUHWJXTLSA-N 2 0 304.865 3.828 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000130382054 341020423 /nfs/dbraw/zinc/02/04/23/341020423.db2.gz XBWWKOIVYQKLJZ-QLFBSQMISA-N 2 0 306.416 3.962 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000543092885 341031603 /nfs/dbraw/zinc/03/16/03/341031603.db2.gz HBSMWVRVTMHDJF-APWZRJJASA-N 2 0 318.480 3.811 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccc(F)cc2F)C[C@@H]1C ZINC000543632147 341052221 /nfs/dbraw/zinc/05/22/21/341052221.db2.gz UIHQPZXZNHFTMB-WVBURXTLSA-N 2 0 308.416 3.783 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131209930 341065821 /nfs/dbraw/zinc/06/58/21/341065821.db2.gz NUPSUPCZHVAXMH-SJORKVTESA-N 2 0 318.505 3.897 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000544409569 341080802 /nfs/dbraw/zinc/08/08/02/341080802.db2.gz CQXFGDLRZVOOTR-UHFFFAOYSA-N 2 0 318.505 3.647 20 0 DHADRP CCSCC[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000545010889 341104189 /nfs/dbraw/zinc/10/41/89/341104189.db2.gz LNZUODLEMKKBAZ-UHFFFAOYSA-N 2 0 306.519 3.905 20 0 DHADRP Cc1ccc(SC[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000546017855 341151389 /nfs/dbraw/zinc/15/13/89/341151389.db2.gz CJLSLIFFIPIXNU-MRXNPFEDSA-N 2 0 318.530 3.940 20 0 DHADRP c1cc2cccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)c2[nH]1 ZINC000236623781 341189620 /nfs/dbraw/zinc/18/96/20/341189620.db2.gz NMPYTNGGERNYCS-UHFFFAOYSA-N 2 0 311.473 3.912 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000548805820 341276489 /nfs/dbraw/zinc/27/64/89/341276489.db2.gz ATWCQCGDZJYHKX-LJQANCHMSA-N 2 0 304.453 3.987 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000549042875 341284629 /nfs/dbraw/zinc/28/46/29/341284629.db2.gz WDRCDAXLNLXJRP-HXUWFJFHSA-N 2 0 318.505 3.818 20 0 DHADRP C[C@@H]1CC(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000549226479 341289076 /nfs/dbraw/zinc/28/90/76/341289076.db2.gz YPGGYEOLRAWYPE-HZPDHXFCSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000549612051 341298973 /nfs/dbraw/zinc/29/89/73/341298973.db2.gz UTLYPLOYCDYLEK-BCDXTJNWSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549839919 341304793 /nfs/dbraw/zinc/30/47/93/341304793.db2.gz CVKYIBGAGGQLPO-RDTXWAMCSA-N 2 0 324.415 3.767 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc4ccccc4c3)C2)C1 ZINC000550238114 341313130 /nfs/dbraw/zinc/31/31/30/341313130.db2.gz SGMZWMXLIKLTLK-NRFANRHFSA-N 2 0 324.468 3.636 20 0 DHADRP CC(C)OCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245765711 341314065 /nfs/dbraw/zinc/31/40/65/341314065.db2.gz WIZUSXAXAKJCCJ-ACDBMABISA-N 2 0 316.489 3.587 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000550623021 341319766 /nfs/dbraw/zinc/31/97/66/341319766.db2.gz RCEFZNJWAVVFIK-HNNXBMFYSA-N 2 0 318.436 3.598 20 0 DHADRP COC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000550881879 341325336 /nfs/dbraw/zinc/32/53/36/341325336.db2.gz FKOPRDQMTRLPQI-SFHVURJKSA-N 2 0 324.896 3.883 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c(OC)c1 ZINC000550882997 341325421 /nfs/dbraw/zinc/32/54/21/341325421.db2.gz VNFQVFQQPLNSAX-INIZCTEOSA-N 2 0 320.477 3.621 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCCC2 ZINC000551264399 341335888 /nfs/dbraw/zinc/33/58/88/341335888.db2.gz ZACZLYYUAWLMMM-ZWKOTPCHSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246309861 341341649 /nfs/dbraw/zinc/34/16/49/341341649.db2.gz DDVHRSJTDKODQM-STQMWFEESA-N 2 0 300.368 3.650 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000551530336 341344067 /nfs/dbraw/zinc/34/40/67/341344067.db2.gz RLUGFFISMLJURE-LJQANCHMSA-N 2 0 316.489 3.685 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000551540173 341344753 /nfs/dbraw/zinc/34/47/53/341344753.db2.gz BPSDDNQJTVPACV-XAMWDVODSA-N 2 0 316.489 3.509 20 0 DHADRP CCOc1cc(Cl)ccc1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246366575 341345188 /nfs/dbraw/zinc/34/51/88/341345188.db2.gz IYULUPQUYCUGAF-XJKSGUPXSA-N 2 0 310.869 3.559 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000551791384 341351885 /nfs/dbraw/zinc/35/18/85/341351885.db2.gz PQAPUZCEKVKWCF-PWIZWCRZSA-N 2 0 316.489 3.653 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000246848992 341357781 /nfs/dbraw/zinc/35/77/81/341357781.db2.gz BHUZQYNPIBEPOY-KURKYZTESA-N 2 0 318.505 3.897 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000246874329 341358118 /nfs/dbraw/zinc/35/81/18/341358118.db2.gz DQIYUTKUQWSUAG-CHWSQXEVSA-N 2 0 316.367 3.578 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246896208 341358304 /nfs/dbraw/zinc/35/83/04/341358304.db2.gz FBHGLGNMEZZDME-GJYPPUQNSA-N 2 0 302.462 3.535 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000247057932 341360368 /nfs/dbraw/zinc/36/03/68/341360368.db2.gz NRNZXJKSCYIPQD-HZPDHXFCSA-N 2 0 312.457 3.841 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247092080 341360949 /nfs/dbraw/zinc/36/09/49/341360949.db2.gz NYNVLYUZAIWILZ-GDBMZVCRSA-N 2 0 308.416 3.976 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247137131 341361463 /nfs/dbraw/zinc/36/14/63/341361463.db2.gz SBGAVTGPESJVOC-BJLQDIEVSA-N 2 0 318.505 3.783 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2csc3ccccc23)[C@@H](C)C1 ZINC000247165655 341361650 /nfs/dbraw/zinc/36/16/50/341361650.db2.gz YDEPIJPWVGRWGI-YOEHRIQHSA-N 2 0 302.487 3.764 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Cl ZINC000247350990 341363843 /nfs/dbraw/zinc/36/38/43/341363843.db2.gz PCKHUEYODRUWPF-OWCLPIDISA-N 2 0 324.896 3.880 20 0 DHADRP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000552040472 341364036 /nfs/dbraw/zinc/36/40/36/341364036.db2.gz PAGDKMBYFYJBFH-XUVXKRRUSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1F ZINC000552044667 341364614 /nfs/dbraw/zinc/36/46/14/341364614.db2.gz JUHVJYACBSJVQQ-UOAMXJAYSA-N 2 0 308.416 3.531 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000552111308 341370472 /nfs/dbraw/zinc/37/04/72/341370472.db2.gz WLWDYUWRKVNBQX-KPFFTGBYSA-N 2 0 322.537 3.560 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000552111307 341370490 /nfs/dbraw/zinc/37/04/90/341370490.db2.gz WLWDYUWRKVNBQX-IMFGXOCKSA-N 2 0 322.537 3.560 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000248058959 341372898 /nfs/dbraw/zinc/37/28/98/341372898.db2.gz XWPPCLMOFDMFHQ-HBFSDRIKSA-N 2 0 318.505 3.517 20 0 DHADRP Fc1ccc2c(c1)[C@@H](N1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000248370613 341375933 /nfs/dbraw/zinc/37/59/33/341375933.db2.gz XSIXIEKXXCGNFW-KXBFYZLASA-N 2 0 302.437 3.621 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]2CCC[C@@H]21 ZINC000552245216 341380910 /nfs/dbraw/zinc/38/09/10/341380910.db2.gz VDKOANJHALMKMF-YXMSTPNBSA-N 2 0 318.427 3.818 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249095940 341393865 /nfs/dbraw/zinc/39/38/65/341393865.db2.gz LXZOBRMFHFXMAG-UTKZUKDTSA-N 2 0 324.443 3.925 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000564816855 341510550 /nfs/dbraw/zinc/51/05/50/341510550.db2.gz NYVISCQFQGYVAY-SFHVURJKSA-N 2 0 314.473 3.754 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(-c2ccncc2)c1 ZINC000564828055 341510792 /nfs/dbraw/zinc/51/07/92/341510792.db2.gz REUZOMCCEIFNJS-TWOQFEAHSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1sccc1Br ZINC000567655268 341624744 /nfs/dbraw/zinc/62/47/44/341624744.db2.gz VGSZPTOCDMMDOI-MNOVXSKESA-N 2 0 317.296 3.693 20 0 DHADRP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)C1CCOCC1 ZINC000156712410 341625469 /nfs/dbraw/zinc/62/54/69/341625469.db2.gz BOKOLDURSXHZPU-KRWDZBQOSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CS1 ZINC000368462799 518947916 /nfs/dbraw/zinc/94/79/16/518947916.db2.gz QKNCOESFFAJHST-WBVHZDCISA-N 2 0 310.551 3.903 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000182084756 519732953 /nfs/dbraw/zinc/73/29/53/519732953.db2.gz KSEHBVRFTRMQOK-RDTXWAMCSA-N 2 0 319.493 3.662 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000337346106 519773101 /nfs/dbraw/zinc/77/31/01/519773101.db2.gz VTZRCZLLISUHJD-ROUUACIJSA-N 2 0 318.505 3.822 20 0 DHADRP CC1(C)CC[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC000336860538 520389509 /nfs/dbraw/zinc/38/95/09/520389509.db2.gz RYOMGQAVLNTJAW-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337340750 521008195 /nfs/dbraw/zinc/00/81/95/521008195.db2.gz PRUSWGSSVHNDOC-ICSRJNTNSA-N 2 0 315.505 3.819 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccs2)[C@H](C)C1 ZINC000154483431 521707714 /nfs/dbraw/zinc/70/77/14/521707714.db2.gz AYTHYABSPIZFLN-PMPSAXMXSA-N 2 0 310.507 3.536 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)c1cnn(C)c1 ZINC000163541139 522653710 /nfs/dbraw/zinc/65/37/10/522653710.db2.gz JYDQQVTWTPHQRZ-IBGZPJMESA-N 2 0 314.477 3.503 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C)cc1 ZINC000159064614 522811692 /nfs/dbraw/zinc/81/16/92/522811692.db2.gz ZWSWFFXJQLFHOR-LJQANCHMSA-N 2 0 304.478 3.537 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccccc1OC(F)F ZINC000163283603 522857535 /nfs/dbraw/zinc/85/75/35/522857535.db2.gz MLPUSLKQSBSIAD-DZGCQCFKSA-N 2 0 312.404 3.671 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159175360 523301238 /nfs/dbraw/zinc/30/12/38/523301238.db2.gz SSVNBMSUFWFMLS-UZLBHIALSA-N 2 0 316.489 3.716 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc(C3CCCC3)s2)CC1 ZINC000364945382 523787344 /nfs/dbraw/zinc/78/73/44/523787344.db2.gz DADANYMAKSBQEK-UHFFFAOYSA-N 2 0 319.518 3.861 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1 ZINC000130315383 524925339 /nfs/dbraw/zinc/92/53/39/524925339.db2.gz YKQFTJCDQCTQNA-HUBLWGQQSA-N 2 0 308.516 3.747 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1 ZINC000336826932 525268372 /nfs/dbraw/zinc/26/83/72/525268372.db2.gz YKQFTJCDQCTQNA-LALPHHSUSA-N 2 0 308.516 3.747 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCOC1 ZINC000156184360 525441015 /nfs/dbraw/zinc/44/10/15/525441015.db2.gz OKWQAZOCJZSKEA-FUHIMQAGSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162561059 525886154 /nfs/dbraw/zinc/88/61/54/525886154.db2.gz GCMFGLJLJRJDMC-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000364180234 526216935 /nfs/dbraw/zinc/21/69/35/526216935.db2.gz XQAMGHZDZFVVKT-AZUAARDMSA-N 2 0 323.484 3.953 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CC[NH+](CC(C)C)CC3)ccc2n1 ZINC000189246901 526231215 /nfs/dbraw/zinc/23/12/15/526231215.db2.gz DLMQFWIDGIRTPZ-UHFFFAOYSA-N 2 0 311.473 3.753 20 0 DHADRP Cc1nc(C)c(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000157901509 526713330 /nfs/dbraw/zinc/71/33/30/526713330.db2.gz COESEHRKWIEANP-UHFFFAOYSA-N 2 0 321.534 3.689 20 0 DHADRP Cc1nc2ccc(C[NH2+]CCCCC[NH+]3CCCC3)cc2s1 ZINC000339504942 527137780 /nfs/dbraw/zinc/13/77/80/527137780.db2.gz MOVLTPMJYYBOOY-UHFFFAOYSA-N 2 0 317.502 3.960 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(C)n1 ZINC000162913179 527307620 /nfs/dbraw/zinc/30/76/20/527307620.db2.gz VLGJWYSGGXSPTC-OAHLLOKOSA-N 2 0 324.472 3.540 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(C)n1 ZINC000162913296 527310703 /nfs/dbraw/zinc/31/07/03/527310703.db2.gz VLGJWYSGGXSPTC-HNNXBMFYSA-N 2 0 324.472 3.540 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297913836 535176247 /nfs/dbraw/zinc/17/62/47/535176247.db2.gz WSXBRLSSKLJHGD-ZBFHGGJFSA-N 2 0 321.896 3.822 20 0 DHADRP CC(C)COc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000297539849 535226514 /nfs/dbraw/zinc/22/65/14/535226514.db2.gz ORIFUKBJFKHYQB-UHFFFAOYSA-N 2 0 309.413 3.659 20 0 DHADRP CCS[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297634775 535725991 /nfs/dbraw/zinc/72/59/91/535725991.db2.gz MFCSNJRKTKJOTG-ROUUACIJSA-N 2 0 319.518 3.704 20 0 DHADRP CC[C@H](CSC)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272756465 536126988 /nfs/dbraw/zinc/12/69/88/536126988.db2.gz KSOCPCYOPZCBRJ-BPQIPLTHSA-N 2 0 306.519 3.628 20 0 DHADRP CCCOC1CCC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001173089856 1033522058 /nfs/dbraw/zinc/52/20/58/1033522058.db2.gz AQPIDCWXSFYRFB-YYZRRKBYSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1cnccc1C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001279380816 1013103863 /nfs/dbraw/zinc/10/38/63/1013103863.db2.gz AGJBDKWLQVQABL-UHFFFAOYSA-N 2 0 313.489 3.621 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC001168294742 1032066343 /nfs/dbraw/zinc/06/63/43/1032066343.db2.gz FQWDAPGMBYBLPH-UHFFFAOYSA-N 2 0 315.288 3.998 20 0 DHADRP Cc1c(Cl)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nc2ccccc12 ZINC000261975892 1013191264 /nfs/dbraw/zinc/19/12/64/1013191264.db2.gz QTEDOWSUVHKORM-CQSZACIVSA-N 2 0 317.864 3.757 20 0 DHADRP Fc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167965880 1013283367 /nfs/dbraw/zinc/28/33/67/1013283367.db2.gz PBNIFHMQHRDJPL-IHWFROFDSA-N 2 0 316.464 3.753 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000398108816 1013352925 /nfs/dbraw/zinc/35/29/25/1013352925.db2.gz CIVNJQDMWQAUMC-VQIMIIECSA-N 2 0 314.498 3.791 20 0 DHADRP CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000155363971 1013384730 /nfs/dbraw/zinc/38/47/30/1013384730.db2.gz AUNZDOLIHYMOID-MRXNPFEDSA-N 2 0 315.461 3.712 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCc3ccccc3Cl)C2)C1 ZINC000519554655 1013404275 /nfs/dbraw/zinc/40/42/75/1013404275.db2.gz NSCZLULMIYYRGS-SFHVURJKSA-N 2 0 306.881 3.690 20 0 DHADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000262042981 1013410669 /nfs/dbraw/zinc/41/06/69/1013410669.db2.gz CBELVYHFOXLUKS-GBESFXJTSA-N 2 0 304.453 3.577 20 0 DHADRP C1=CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000236588274 1013418629 /nfs/dbraw/zinc/41/86/29/1013418629.db2.gz CPDWQWAHMWWXNY-SFHVURJKSA-N 2 0 314.473 3.607 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ocnc2C)CC1)CC(C)C ZINC000894780113 1013489508 /nfs/dbraw/zinc/48/95/08/1013489508.db2.gz XGFBLBRSIPCTPT-UHFFFAOYSA-N 2 0 307.482 3.563 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000315380651 1013495161 /nfs/dbraw/zinc/49/51/61/1013495161.db2.gz DITXACQAXZTLOT-CVEARBPZSA-N 2 0 304.478 3.855 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000519778292 1013604648 /nfs/dbraw/zinc/60/46/48/1013604648.db2.gz YMYHWSPUZWUBFV-KRWDZBQOSA-N 2 0 324.468 3.841 20 0 DHADRP C[C@H](C[NH2+][C@H](C)c1cnc2ccsc2c1)C[NH+]1CCCC1 ZINC000068692014 1013692169 /nfs/dbraw/zinc/69/21/69/1013692169.db2.gz LEMLEQSMYOUQCE-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@@H](CC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CC(C)(C)C ZINC000655757780 1013693532 /nfs/dbraw/zinc/69/35/32/1013693532.db2.gz LGWCRLJRTSRWJG-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894904491 1013700782 /nfs/dbraw/zinc/70/07/82/1013700782.db2.gz IYZKSHNLRWXAJL-UHFFFAOYSA-N 2 0 306.475 3.817 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2)cc1 ZINC000655804792 1013724260 /nfs/dbraw/zinc/72/42/60/1013724260.db2.gz BRNGJTFRLPATEV-LKUPVBHCSA-N 2 0 324.468 3.714 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)cc(Cl)c1 ZINC000655806208 1013727722 /nfs/dbraw/zinc/72/77/22/1013727722.db2.gz RIBRYECSPCQKSV-HFAKWTLXSA-N 2 0 301.261 3.984 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000655807295 1013729142 /nfs/dbraw/zinc/72/91/42/1013729142.db2.gz JZFFLYIJJWHFFH-WZRBSPASSA-N 2 0 301.261 3.984 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000121624368 1013735366 /nfs/dbraw/zinc/73/53/66/1013735366.db2.gz JZMCXPYTNDPIAB-VQIMIIECSA-N 2 0 324.468 3.618 20 0 DHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000655827007 1013745069 /nfs/dbraw/zinc/74/50/69/1013745069.db2.gz MMYNHVFAHHQAFZ-GASCZTMLSA-N 2 0 316.420 3.824 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(CO)c1 ZINC000305645074 1013752419 /nfs/dbraw/zinc/75/24/19/1013752419.db2.gz LPXIYBPEQLWKDH-KSZLIROESA-N 2 0 318.505 3.588 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188444844 1013761239 /nfs/dbraw/zinc/76/12/39/1013761239.db2.gz UMDJKPSXVHARST-SOLBZPMBSA-N 2 0 318.480 3.999 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000340447331 1013805719 /nfs/dbraw/zinc/80/57/19/1013805719.db2.gz UCYZAWLBUHGSQJ-KGLIPLIRSA-N 2 0 322.412 3.693 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000340459020 1013814481 /nfs/dbraw/zinc/81/44/81/1013814481.db2.gz BNPDSONESMAOEI-FQEVSTJZSA-N 2 0 316.489 3.871 20 0 DHADRP CC(C)OCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340462319 1013822391 /nfs/dbraw/zinc/82/23/91/1013822391.db2.gz LGCLFCHTEYMDLA-UHFFFAOYSA-N 2 0 318.505 3.834 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340469425 1013833128 /nfs/dbraw/zinc/83/31/28/1013833128.db2.gz JKHTTZFJNIHKGO-VQIMIIECSA-N 2 0 304.478 3.576 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000340472493 1013840775 /nfs/dbraw/zinc/84/07/75/1013840775.db2.gz DETOBYMDOIJVGB-CQSZACIVSA-N 2 0 309.523 3.931 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccncc2F)c1 ZINC000340480947 1013865753 /nfs/dbraw/zinc/86/57/53/1013865753.db2.gz XVRFJXVZFPEWJZ-AWEZNQCLSA-N 2 0 301.409 3.523 20 0 DHADRP Cc1cc(C)nc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167326369 1013885096 /nfs/dbraw/zinc/88/50/96/1013885096.db2.gz LJLJHKVIPBTJCJ-LJQANCHMSA-N 2 0 315.505 3.786 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C[C@H](C)O1 ZINC001167326879 1013886142 /nfs/dbraw/zinc/88/61/42/1013886142.db2.gz WAXSSMRDFBIXPP-ZGXWSNOMSA-N 2 0 322.537 3.778 20 0 DHADRP COc1cccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000188985724 1013904359 /nfs/dbraw/zinc/90/43/59/1013904359.db2.gz SXYJAAJXLFETOD-UHFFFAOYSA-N 2 0 316.489 3.751 20 0 DHADRP COCCC1(C[NH2+]Cc2cccc(C[NH+](C)C)c2)CCCCC1 ZINC000189021270 1013907652 /nfs/dbraw/zinc/90/76/52/1013907652.db2.gz JFZQCDZKJUMGGI-UHFFFAOYSA-N 2 0 318.505 3.825 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc3cnccc3c2)ccc1F ZINC000683770180 1013977753 /nfs/dbraw/zinc/97/77/53/1013977753.db2.gz LQJAYZQINGBMCL-UHFFFAOYSA-N 2 0 323.415 3.725 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683773465 1013982678 /nfs/dbraw/zinc/98/26/78/1013982678.db2.gz ANOKCHPRCSFALT-GOSISDBHSA-N 2 0 311.473 3.692 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2cnccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000683774779 1013984569 /nfs/dbraw/zinc/98/45/69/1013984569.db2.gz MJDLNHYFTFZHNQ-JXFKEZNVSA-N 2 0 323.484 3.977 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCOC(C)C)C2)s1 ZINC000580127208 1014040350 /nfs/dbraw/zinc/04/03/50/1014040350.db2.gz BRCOEGMWAAXMDD-KRWDZBQOSA-N 2 0 324.534 3.625 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683827011 1014047625 /nfs/dbraw/zinc/04/76/25/1014047625.db2.gz CUODVRSKWJFUFZ-UHFFFAOYSA-N 2 0 311.473 3.787 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(F)c(Cl)c2F)CC1 ZINC001168298386 1032079869 /nfs/dbraw/zinc/07/98/69/1032079869.db2.gz QOMBWSBAJBIFEK-UHFFFAOYSA-N 2 0 302.796 3.581 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCc2ccccc2F)CC1 ZINC001173112571 1033547060 /nfs/dbraw/zinc/54/70/60/1033547060.db2.gz AIZMRCXAINNKBY-UHFFFAOYSA-N 2 0 306.469 3.953 20 0 DHADRP Clc1ccc(SCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000565599229 1014085793 /nfs/dbraw/zinc/08/57/93/1014085793.db2.gz SEAXXXRHFHMAOA-MRXNPFEDSA-N 2 0 310.894 3.508 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(F)c(F)cc2Cl)CC1 ZINC001168298179 1032081450 /nfs/dbraw/zinc/08/14/50/1032081450.db2.gz CSVMJVIWJQYGHM-UHFFFAOYSA-N 2 0 302.796 3.581 20 0 DHADRP CC[NH+](CC)CCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000013734500 1014132838 /nfs/dbraw/zinc/13/28/38/1014132838.db2.gz YGIZSEBAXYEEFE-UHFFFAOYSA-N 2 0 304.409 3.907 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000423477746 1027560302 /nfs/dbraw/zinc/56/03/02/1027560302.db2.gz KIBWLNZCONTWRQ-OLZOCXBDSA-N 2 0 311.267 3.632 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]CC2(CCOC)CCCCC2)CC1 ZINC000189147656 1014163759 /nfs/dbraw/zinc/16/37/59/1014163759.db2.gz LPTJMJNKYPWPTA-UHFFFAOYSA-N 2 0 310.526 3.685 20 0 DHADRP Clc1ccccc1OCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441467886 1014181622 /nfs/dbraw/zinc/18/16/22/1014181622.db2.gz VYZMCIWOYCVDKA-MRXNPFEDSA-N 2 0 322.880 3.527 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763532 1032088354 /nfs/dbraw/zinc/08/83/54/1032088354.db2.gz FDOYDBDZMXDUKV-TWOQFEAHSA-N 2 0 309.457 3.882 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000047977906 1014265087 /nfs/dbraw/zinc/26/50/87/1014265087.db2.gz XVHPZCABURGCNV-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP COc1ccccc1/C=C\CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255752722 1014342793 /nfs/dbraw/zinc/34/27/93/1014342793.db2.gz BWYLJSZDDKCUNN-YPLUBFQTSA-N 2 0 314.473 3.516 20 0 DHADRP COc1ccccc1/C=C\CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255752691 1014343828 /nfs/dbraw/zinc/34/38/28/1014343828.db2.gz BWYLJSZDDKCUNN-CNRGFGOASA-N 2 0 314.473 3.516 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccnc2ccccc12 ZINC000665239455 1014518974 /nfs/dbraw/zinc/51/89/74/1014518974.db2.gz UGTNWUVMCXRYLZ-SJLPKXTDSA-N 2 0 311.473 3.678 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000581094206 1014554301 /nfs/dbraw/zinc/55/43/01/1014554301.db2.gz LQDIOTQPCSOHQO-BJLQDIEVSA-N 2 0 317.521 3.532 20 0 DHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCC3CC3)C2)cc1 ZINC000656408591 1014579361 /nfs/dbraw/zinc/57/93/61/1014579361.db2.gz KKWGWBILQOGYKF-TUFLPTIASA-N 2 0 310.485 3.629 20 0 DHADRP CC(C)C[C@H](C)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000581157743 1014595081 /nfs/dbraw/zinc/59/50/81/1014595081.db2.gz FPLVYIULMQIDTM-KRWDZBQOSA-N 2 0 318.505 3.931 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCn2cccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012351 1014608396 /nfs/dbraw/zinc/60/83/96/1014608396.db2.gz YVWUUTUSZKXMCX-OPVJXMOQSA-N 2 0 311.473 3.519 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000665273451 1014634629 /nfs/dbraw/zinc/63/46/29/1014634629.db2.gz XMEXPUVFFOYXIS-GXSJLCMTSA-N 2 0 320.321 3.900 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000665273453 1014636111 /nfs/dbraw/zinc/63/61/11/1014636111.db2.gz XMEXPUVFFOYXIS-MWLCHTKSSA-N 2 0 320.321 3.900 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000665279941 1014662018 /nfs/dbraw/zinc/66/20/18/1014662018.db2.gz PTOMQGHOXRBYNT-VHSXEESVSA-N 2 0 305.285 3.535 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)ccc2c1 ZINC000665279388 1014662997 /nfs/dbraw/zinc/66/29/97/1014662997.db2.gz BNLNRLLJWQZZGE-AUUYWEPGSA-N 2 0 300.446 3.872 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)[C@H](C)C1 ZINC000581280766 1014677174 /nfs/dbraw/zinc/67/71/74/1014677174.db2.gz YEWSABVSNPQKDZ-RNQOJCNYSA-N 2 0 322.537 3.705 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442712985 1014720820 /nfs/dbraw/zinc/72/08/20/1014720820.db2.gz HJWLXIQVNPKSJG-WXLSXGNJSA-N 2 0 302.453 3.768 20 0 DHADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000442800198 1014737272 /nfs/dbraw/zinc/73/72/72/1014737272.db2.gz ZAFQZUZFOUXDIV-YSHGAJCASA-N 2 0 308.510 3.577 20 0 DHADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000442800192 1014737292 /nfs/dbraw/zinc/73/72/92/1014737292.db2.gz ZAFQZUZFOUXDIV-NQYYFHDYSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665301129 1014776300 /nfs/dbraw/zinc/77/63/00/1014776300.db2.gz OYPUBOXNQSFLCK-QVKFZJNVSA-N 2 0 323.484 3.867 20 0 DHADRP CCc1noc(C)c1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000276168389 1014776834 /nfs/dbraw/zinc/77/68/34/1014776834.db2.gz FAOCTHFWQPVVDC-ZDUSSCGKSA-N 2 0 310.401 3.582 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000665301243 1014784482 /nfs/dbraw/zinc/78/44/82/1014784482.db2.gz RZWQDYMZYOJLAZ-HZSPNIEDSA-N 2 0 306.416 3.865 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000581411942 1014795069 /nfs/dbraw/zinc/79/50/69/1014795069.db2.gz RGQYRFXWGLSUKA-RBUKOAKNSA-N 2 0 300.490 3.890 20 0 DHADRP Cc1ccc(OC(F)F)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043622 1014814831 /nfs/dbraw/zinc/81/48/31/1014814831.db2.gz MTYDVIHGIXIBJW-ZBFHGGJFSA-N 2 0 324.415 3.513 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000124029256 1014817953 /nfs/dbraw/zinc/81/79/53/1014817953.db2.gz DMKDQUWYCDBLHQ-FQEVSTJZSA-N 2 0 312.457 3.868 20 0 DHADRP CCCC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168016457 1014893414 /nfs/dbraw/zinc/89/34/14/1014893414.db2.gz WCOOUWFAUMPCPA-HNJRGHQBSA-N 2 0 318.505 3.569 20 0 DHADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccsc1 ZINC000191202353 1014907662 /nfs/dbraw/zinc/90/76/62/1014907662.db2.gz ZFHFJYLVFBLXFY-SFHVURJKSA-N 2 0 323.550 3.597 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000474063201 1014938498 /nfs/dbraw/zinc/93/84/98/1014938498.db2.gz GOYOGLMWDSHFRX-VCBZYWHSSA-N 2 0 314.473 3.634 20 0 DHADRP C[C@@H]1CC(NC(C)(C)C(C)(C)[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168022645 1015021769 /nfs/dbraw/zinc/02/17/69/1015021769.db2.gz AUFCLKHADTVNEE-HZPDHXFCSA-N 2 0 317.521 3.534 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC000443614504 1015031437 /nfs/dbraw/zinc/03/14/37/1015031437.db2.gz KYIHPRWCWMPSDO-JEBQAFNWSA-N 2 0 304.865 3.743 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000656675512 1015053184 /nfs/dbraw/zinc/05/31/84/1015053184.db2.gz AZVIMPZYBFFFPA-KRWDZBQOSA-N 2 0 316.489 3.537 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788635 1015162566 /nfs/dbraw/zinc/16/25/66/1015162566.db2.gz ACSABNRFIUGCLZ-ZDUSSCGKSA-N 2 0 314.395 3.888 20 0 DHADRP Cc1ccc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)ccc2n1 ZINC000656786733 1015162675 /nfs/dbraw/zinc/16/26/75/1015162675.db2.gz PXDJETAEHFFEMT-HXUWFJFHSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647171580 1015174100 /nfs/dbraw/zinc/17/41/00/1015174100.db2.gz OQUQQHYDIPSHIC-GJZGRUSLSA-N 2 0 302.453 3.912 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000684372196 1015175969 /nfs/dbraw/zinc/17/59/69/1015175969.db2.gz NRGMQRXSAXCRET-RBUKOAKNSA-N 2 0 304.478 3.574 20 0 DHADRP CC(C)[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000474263858 1015227286 /nfs/dbraw/zinc/22/72/86/1015227286.db2.gz FGRCSUMAGIPMFY-QUCCMNQESA-N 2 0 300.490 3.844 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000684387388 1015225881 /nfs/dbraw/zinc/22/58/81/1015225881.db2.gz JDSHVOGDPNRFTR-CHPDAQJUSA-N 2 0 308.510 3.577 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000684390152 1015236925 /nfs/dbraw/zinc/23/69/25/1015236925.db2.gz SYPDUKBRNHGFEP-RBUKOAKNSA-N 2 0 304.478 3.574 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000684390153 1015237853 /nfs/dbraw/zinc/23/78/53/1015237853.db2.gz SYPDUKBRNHGFEP-RTBURBONSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422740280 1015268255 /nfs/dbraw/zinc/26/82/55/1015268255.db2.gz NEQKXJBCVKLTJL-NHYWBVRUSA-N 2 0 301.261 3.514 20 0 DHADRP COC[C@@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001168033540 1015302384 /nfs/dbraw/zinc/30/23/84/1015302384.db2.gz MCUVMAJWHIBJNF-ABSDTBQOSA-N 2 0 318.505 3.689 20 0 DHADRP CCOCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000581848033 1015372930 /nfs/dbraw/zinc/37/29/30/1015372930.db2.gz JNLYXPLDPAPRGF-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000474473526 1015387061 /nfs/dbraw/zinc/38/70/61/1015387061.db2.gz JSXVKWXMAOQXIO-SJORKVTESA-N 2 0 304.478 3.653 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474478747 1015390659 /nfs/dbraw/zinc/39/06/59/1015390659.db2.gz PKEIKFMSOQYOBT-RDGPPVDQSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474480577 1015390908 /nfs/dbraw/zinc/39/09/08/1015390908.db2.gz DUZVVOWNQLZQPP-HZPDHXFCSA-N 2 0 324.896 3.534 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC001173253224 1033624710 /nfs/dbraw/zinc/62/47/10/1033624710.db2.gz REPAZASBCPHLHI-ZWOKBUDYSA-N 2 0 302.506 3.888 20 0 DHADRP CCCSC[C@@H](C)[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000896036014 1015418687 /nfs/dbraw/zinc/41/86/87/1015418687.db2.gz ZGBDAWIUBKRQRA-NVXWUHKLSA-N 2 0 303.475 3.746 20 0 DHADRP CCCCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000097444930 1015421400 /nfs/dbraw/zinc/42/14/00/1015421400.db2.gz PRTPWSIOVDNXMG-SFHVURJKSA-N 2 0 304.478 3.687 20 0 DHADRP C[C@@H]1C[C@@H]([N@@H+]2CCCO[C@H](C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168040980 1015544268 /nfs/dbraw/zinc/54/42/68/1015544268.db2.gz PQJVQZBNHANEQB-AJYBTWMASA-N 2 0 316.489 3.539 20 0 DHADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCC1 ZINC000474816439 1015617472 /nfs/dbraw/zinc/61/74/72/1015617472.db2.gz KNILHDZGTYHPDT-PFRQMTDMSA-N 2 0 300.490 3.921 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000131259060 1015660167 /nfs/dbraw/zinc/66/01/67/1015660167.db2.gz CQQIRJWWSUYXAK-SFHVURJKSA-N 3 0 323.569 3.884 20 0 DHADRP c1cc(N2CCC([NH2+][C@H](C3CCC3)C3CCCC3)CC2)cc[nH+]1 ZINC000648057306 1015695058 /nfs/dbraw/zinc/69/50/58/1015695058.db2.gz OGQPGPKRUYONJB-FQEVSTJZSA-N 2 0 313.489 3.999 20 0 DHADRP Cc1cccnc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000294716628 1032126383 /nfs/dbraw/zinc/12/63/83/1032126383.db2.gz CFOYULNACPHQJK-VQIMIIECSA-N 2 0 315.505 3.565 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280915019 1015809289 /nfs/dbraw/zinc/80/92/89/1015809289.db2.gz QRQUIVDXTWEPGN-IBGZPJMESA-N 2 0 301.478 3.634 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000280914692 1015809496 /nfs/dbraw/zinc/80/94/96/1015809496.db2.gz QPMKDQPITRYFGZ-XLIONFOSSA-N 2 0 315.505 3.880 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281141570 1015840867 /nfs/dbraw/zinc/84/08/67/1015840867.db2.gz FXMXWTMKBAHSCO-DNVCBOLYSA-N 2 0 319.468 3.916 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC001168304349 1032132103 /nfs/dbraw/zinc/13/21/03/1032132103.db2.gz XPERIVJYZGBHEA-UHFFFAOYSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000396463784 1015984912 /nfs/dbraw/zinc/98/49/12/1015984912.db2.gz RECMIYQUWUEGTI-NSHDSACASA-N 2 0 301.261 3.813 20 0 DHADRP CO[C@@H](CC(C)C)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505780 1016175801 /nfs/dbraw/zinc/17/58/01/1016175801.db2.gz VQIKOSUIMYKRDN-PMACEKPBSA-N 2 0 318.505 3.501 20 0 DHADRP CO[C@H](CC(C)C)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505786 1016176332 /nfs/dbraw/zinc/17/63/32/1016176332.db2.gz VQIKOSUIMYKRDN-WOJBJXKFSA-N 2 0 318.505 3.501 20 0 DHADRP Cc1ccc(OC(F)F)c(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277319311 1016194879 /nfs/dbraw/zinc/19/48/79/1016194879.db2.gz CBDHIHGPYQUHDV-HNNXBMFYSA-N 2 0 312.404 3.513 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000582018876 1016303123 /nfs/dbraw/zinc/30/31/23/1016303123.db2.gz IPSABVYWGSEHHF-WWXIPJKBSA-N 2 0 304.478 3.650 20 0 DHADRP C[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657339235 1016371182 /nfs/dbraw/zinc/37/11/82/1016371182.db2.gz PQKOGCSYOSHPES-INIZCTEOSA-N 2 0 306.413 3.551 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000657348531 1016404092 /nfs/dbraw/zinc/40/40/92/1016404092.db2.gz YYIHIFARVSEWJZ-KRWDZBQOSA-N 2 0 304.478 3.604 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCO1 ZINC000346498445 1016420182 /nfs/dbraw/zinc/42/01/82/1016420182.db2.gz YGVXRYQOGXDMLE-ABSDTBQOSA-N 2 0 316.489 3.718 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)CC2 ZINC000152252834 1016434667 /nfs/dbraw/zinc/43/46/67/1016434667.db2.gz WXSWXCCINXRPHT-IBGZPJMESA-N 2 0 303.409 3.958 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC000629692323 1016533772 /nfs/dbraw/zinc/53/37/72/1016533772.db2.gz LHMSNTSVUHBMPZ-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)C[C@H]21 ZINC000346819736 1016564529 /nfs/dbraw/zinc/56/45/29/1016564529.db2.gz DYRQAHVAQHWULD-MZMPZRCHSA-N 2 0 314.404 3.645 20 0 DHADRP CC(C)OCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171501478 1016573118 /nfs/dbraw/zinc/57/31/18/1016573118.db2.gz RFBDBWGYKVDGBM-UHFFFAOYSA-N 2 0 318.505 3.646 20 0 DHADRP COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346858694 1016609934 /nfs/dbraw/zinc/60/99/34/1016609934.db2.gz YGMKMUMFBAZJGS-HXUWFJFHSA-N 2 0 324.468 3.697 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000346878716 1016620370 /nfs/dbraw/zinc/62/03/70/1016620370.db2.gz MCSHWBSLERUTRH-QAPCUYQASA-N 2 0 302.462 3.537 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346878715 1016620859 /nfs/dbraw/zinc/62/08/59/1016620859.db2.gz MCSHWBSLERUTRH-MAUKXSAKSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379892858 1016682527 /nfs/dbraw/zinc/68/25/27/1016682527.db2.gz FMCQLLNKKLGBTM-UWJYYQICSA-N 2 0 320.480 3.654 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657413479 1016688141 /nfs/dbraw/zinc/68/81/41/1016688141.db2.gz CUFBXBVDRHQJFU-UHFFFAOYSA-N 2 0 303.475 3.506 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000347056523 1016710184 /nfs/dbraw/zinc/71/01/84/1016710184.db2.gz VLKVOCDNYOFWDF-GDBMZVCRSA-N 2 0 300.471 3.974 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000347084217 1016731234 /nfs/dbraw/zinc/73/12/34/1016731234.db2.gz ZZDABWGIBODVHC-ZBFHGGJFSA-N 2 0 315.486 3.678 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000671297547 1016880007 /nfs/dbraw/zinc/88/00/07/1016880007.db2.gz ZOCBBHHFTWMZBT-MBKANNOKSA-N 2 0 316.489 3.650 20 0 DHADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623335888 1016964316 /nfs/dbraw/zinc/96/43/16/1016964316.db2.gz KGJZKVBFUXQKCA-RBUKOAKNSA-N 2 0 317.521 3.532 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000623347197 1016975020 /nfs/dbraw/zinc/97/50/20/1016975020.db2.gz RIIWSJOUVQGRDR-STQMWFEESA-N 2 0 312.404 3.811 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC001167586731 1016985154 /nfs/dbraw/zinc/98/51/54/1016985154.db2.gz PJRGNUYRQDPGPF-RANZSIQMSA-N 2 0 322.443 3.840 20 0 DHADRP c1c[nH]c(C[NH+]2CC3(C2)CC[NH+](CCC2CCCCC2)CC3)c1 ZINC001279586322 1016989825 /nfs/dbraw/zinc/98/98/25/1016989825.db2.gz BUYGDZUSQYEKGK-UHFFFAOYSA-N 2 0 315.505 3.883 20 0 DHADRP C[N@@H+]1CC[C@@H](NCc2cccc(Cl)c2Cl)CC1(C)C ZINC000623384976 1017009908 /nfs/dbraw/zinc/00/99/08/1017009908.db2.gz VTFXBETVIAERGV-GFCCVEGCSA-N 2 0 301.261 3.956 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)c2ccccc21 ZINC000152798601 1017015028 /nfs/dbraw/zinc/01/50/28/1017015028.db2.gz ANIQDUWIMPLKRJ-DNVCBOLYSA-N 2 0 309.457 3.990 20 0 DHADRP CCC[C@H](C)[C@@H](CC)[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000152862066 1017032414 /nfs/dbraw/zinc/03/24/14/1017032414.db2.gz MOKSEWOVRXOCEY-FXAWDEMLSA-N 2 0 317.521 3.893 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623432479 1017043946 /nfs/dbraw/zinc/04/39/46/1017043946.db2.gz UIEZLFJBSVGWAZ-UONOGXRCSA-N 2 0 310.869 3.570 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432408 1017045522 /nfs/dbraw/zinc/04/55/22/1017045522.db2.gz QNCOXXVVCFCIFF-HIFRSBDPSA-N 2 0 310.869 3.570 20 0 DHADRP COc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)ccc1Cl ZINC000623470450 1017062266 /nfs/dbraw/zinc/06/22/66/1017062266.db2.gz LJKWAKRJVIYNCJ-UHFFFAOYSA-N 2 0 310.869 3.559 20 0 DHADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000294843636 1032178145 /nfs/dbraw/zinc/17/81/45/1032178145.db2.gz UFQQYHDYVKIOMP-INIZCTEOSA-N 2 0 318.505 3.558 20 0 DHADRP FC1(F)[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]21 ZINC001168311403 1032194144 /nfs/dbraw/zinc/19/41/44/1032194144.db2.gz ZHRAZYMEBMRKDJ-ZWKOTPCHSA-N 2 0 320.427 3.760 20 0 DHADRP CC(C)CC(CC(C)C)[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001246667188 1032198232 /nfs/dbraw/zinc/19/82/32/1032198232.db2.gz YIHRYYLAMSYXCL-UHFFFAOYSA-N 2 0 310.526 3.680 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001168314357 1032217994 /nfs/dbraw/zinc/21/79/94/1032217994.db2.gz FIWOMYCWRRBJLT-XUJLQICISA-N 2 0 308.853 3.626 20 0 DHADRP C(CC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1)C[NH+]1CCCC1 ZINC001168318067 1032234446 /nfs/dbraw/zinc/23/44/46/1032234446.db2.gz XOQDBDYGECGYOC-IBGZPJMESA-N 2 0 320.521 3.534 20 0 DHADRP C[N@H+](CCCC[NH3+])[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246892996 1032262424 /nfs/dbraw/zinc/26/24/24/1032262424.db2.gz PYEWJEPRGIKRPI-CYBMUJFWSA-N 2 0 301.261 3.521 20 0 DHADRP [NH3+]CCc1cc2ccccc2n1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001171305692 1032311729 /nfs/dbraw/zinc/31/17/29/1032311729.db2.gz VHJDADOUIMRLPV-IBGZPJMESA-N 2 0 305.425 3.556 20 0 DHADRP [NH3+]CCC[N@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC001172709400 1033343683 /nfs/dbraw/zinc/34/36/83/1033343683.db2.gz ZGYHJNPMFAPTNP-SFHVURJKSA-N 2 0 306.881 3.791 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000119958878 1032332120 /nfs/dbraw/zinc/33/21/20/1032332120.db2.gz PUKUYVKPHWUWRE-CABCVRRESA-N 2 0 310.457 3.995 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+]C[C@H]3CC=CCC3)CC2)c1 ZINC000120597539 1032382784 /nfs/dbraw/zinc/38/27/84/1032382784.db2.gz IIUSLFHDXGMMDI-INIZCTEOSA-N 2 0 304.503 3.906 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(C)CC3)CC2)cc1 ZINC000120686062 1032392632 /nfs/dbraw/zinc/39/26/32/1032392632.db2.gz JRZLQCINWPNQMQ-INIZCTEOSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120886554 1032395132 /nfs/dbraw/zinc/39/51/32/1032395132.db2.gz MEKDYDNFSSLEGQ-VLIAUNLRSA-N 2 0 312.432 3.910 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503988 1017082456 /nfs/dbraw/zinc/08/24/56/1017082456.db2.gz WWSFJFZUMHVXLM-HNNXBMFYSA-N 2 0 314.395 3.976 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000684952958 1017083195 /nfs/dbraw/zinc/08/31/95/1017083195.db2.gz AVABDDMVRMXROD-WMZOPIPTSA-N 2 0 301.478 3.703 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3s2)CC1(C)C ZINC000623532819 1017086056 /nfs/dbraw/zinc/08/60/56/1017086056.db2.gz IJTHYPPCWBFVDL-HNNXBMFYSA-N 2 0 302.487 3.906 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)CC1(C)C ZINC000623521360 1017086725 /nfs/dbraw/zinc/08/67/25/1017086725.db2.gz QWEHVHZAQYEGAD-MRXNPFEDSA-N 2 0 319.880 3.757 20 0 DHADRP CCSCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612879916 1032474072 /nfs/dbraw/zinc/47/40/72/1032474072.db2.gz BRFZYENWKRQPIC-GBESFXJTSA-N 2 0 318.530 3.630 20 0 DHADRP C[N@@H+](Cc1cccc(-c2ccccn2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253741 1032486171 /nfs/dbraw/zinc/48/61/71/1032486171.db2.gz NVHGYBQXYZLNFR-SFHVURJKSA-N 2 0 309.457 3.522 20 0 DHADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623544717 1017093983 /nfs/dbraw/zinc/09/39/83/1017093983.db2.gz HHSOFEOEORKOJT-WMZOPIPTSA-N 2 0 318.505 3.726 20 0 DHADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000623538549 1017097200 /nfs/dbraw/zinc/09/72/00/1017097200.db2.gz JEKXQAZMHFPVJI-RDJZCZTQSA-N 2 0 324.896 3.532 20 0 DHADRP Cc1ccc([C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925144566 1017302223 /nfs/dbraw/zinc/30/22/23/1017302223.db2.gz UUVCQSHHENXWBT-UXPWSPDFSA-N 2 0 309.457 3.552 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)C1 ZINC000121956257 1032492815 /nfs/dbraw/zinc/49/28/15/1032492815.db2.gz CRCUIWAESJTBRZ-RHSMWYFYSA-N 2 0 322.880 3.794 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172837021 1033398078 /nfs/dbraw/zinc/39/80/78/1033398078.db2.gz YDWSIMTYDJWFRL-XLIONFOSSA-N 2 0 302.506 3.952 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCO3)C1 ZINC000773076517 1032547650 /nfs/dbraw/zinc/54/76/50/1032547650.db2.gz OBNQJWJJNZBFET-SJORKVTESA-N 2 0 316.489 3.640 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(-c3ccncc3)c2)[C@H](C)C1 ZINC000093639232 1032549121 /nfs/dbraw/zinc/54/91/21/1032549121.db2.gz AHUHXRPESIOOJQ-UTKZUKDTSA-N 2 0 323.484 3.911 20 0 DHADRP C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925145551 1017314589 /nfs/dbraw/zinc/31/45/89/1017314589.db2.gz SENQBPGNEXVTJA-JEDBISTDSA-N 2 0 316.489 3.602 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000122659682 1032566851 /nfs/dbraw/zinc/56/68/51/1032566851.db2.gz QPAQYCZEBUVHQA-AWEZNQCLSA-N 2 0 308.441 3.607 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3nc(CC)sc32)CC1 ZINC000122730072 1032570624 /nfs/dbraw/zinc/57/06/24/1032570624.db2.gz KCWXSQOSIBNDEG-HNNXBMFYSA-N 2 0 321.534 3.795 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000537647476 1032574672 /nfs/dbraw/zinc/57/46/72/1032574672.db2.gz LMKSPOCHPWPFHO-KVLZDYKBSA-N 2 0 302.437 3.503 20 0 DHADRP C[C@H]([NH3+])c1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000424079672 1011895549 /nfs/dbraw/zinc/89/55/49/1011895549.db2.gz RMPSPWDKHWGAHE-YOEHRIQHSA-N 2 0 317.477 3.723 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000579711784 1011959125 /nfs/dbraw/zinc/95/91/25/1011959125.db2.gz HCURBVHKMQLRDY-IFXJQAMLSA-N 2 0 316.514 3.860 20 0 DHADRP Cc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c2ccccc2n1 ZINC000424302397 1011985466 /nfs/dbraw/zinc/98/54/66/1011985466.db2.gz ZJUJUKKTYTURGJ-MRXNPFEDSA-N 2 0 309.457 3.507 20 0 DHADRP Cc1cccnc1[C@@H]([NH2+]C[C@H](C[NH3+])c1ccc(F)cc1)C(C)C ZINC000424303380 1011989707 /nfs/dbraw/zinc/98/97/07/1011989707.db2.gz NTBFMICMTYYJQO-WMZOPIPTSA-N 2 0 315.436 3.558 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000579731824 1012001552 /nfs/dbraw/zinc/00/15/52/1012001552.db2.gz OMFYHWVHZGHKKX-RTBURBONSA-N 2 0 310.441 3.625 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379924 1012012067 /nfs/dbraw/zinc/01/20/67/1012012067.db2.gz WDEIUMFLLWYMCK-APHBMKBZSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccncc3)c1)CC[NH2+]CC2 ZINC000424377176 1012014104 /nfs/dbraw/zinc/01/41/04/1012014104.db2.gz LVGJBUGDVDWUIK-KRWDZBQOSA-N 2 0 321.468 3.713 20 0 DHADRP Clc1ccc(Cl)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1Cl ZINC000666952190 1032601126 /nfs/dbraw/zinc/60/11/26/1032601126.db2.gz JRPMAHKQRMDWLF-GFCCVEGCSA-N 2 0 319.663 3.879 20 0 DHADRP Cc1c(C)n(C2CC[NH+](CC3CC3)CC2)c2ccc(C[NH3+])cc12 ZINC001168353686 1032597314 /nfs/dbraw/zinc/59/73/14/1032597314.db2.gz QGVPOEGQMRFUFV-UHFFFAOYSA-N 2 0 311.473 3.764 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546468 1012090811 /nfs/dbraw/zinc/09/08/11/1012090811.db2.gz PGAHUSVHSYDVJO-QWQRMKEZSA-N 2 0 302.437 3.713 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2Cl)C[C@@H]1C ZINC000579780576 1012093640 /nfs/dbraw/zinc/09/36/40/1012093640.db2.gz HZHOKTDJRZJSOH-XJKSGUPXSA-N 2 0 312.860 3.826 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1SC ZINC000643546854 1012105784 /nfs/dbraw/zinc/10/57/84/1012105784.db2.gz VWOXDTSHBWNKBA-HIFRSBDPSA-N 2 0 320.502 3.742 20 0 DHADRP COc1cccc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123501512 1012154046 /nfs/dbraw/zinc/15/40/46/1012154046.db2.gz HIGOBXMXINDVPY-MRXNPFEDSA-N 2 0 304.478 3.810 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122367028 1032604390 /nfs/dbraw/zinc/60/43/90/1032604390.db2.gz PLCIQFSJIZNFEF-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP C1=C2CCCN([C@@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001167954427 1012178158 /nfs/dbraw/zinc/17/81/58/1012178158.db2.gz DJQZIBPQNFOONT-VQGLPFKNSA-N 2 0 312.501 3.680 20 0 DHADRP FC1(F)CCC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000513893245 1012218809 /nfs/dbraw/zinc/21/88/09/1012218809.db2.gz PQNNAKNMFKTBRT-HNNXBMFYSA-N 2 0 300.437 3.762 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+]([C@@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167956463 1012340435 /nfs/dbraw/zinc/34/04/35/1012340435.db2.gz QIWMOYXNLBSXKI-WOZUAGRISA-N 2 0 310.485 3.773 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC1CCCCCC1 ZINC000558403910 1012527148 /nfs/dbraw/zinc/52/71/48/1012527148.db2.gz PXDWMOYLVSPHMU-GUDVDZBRSA-N 2 0 308.510 3.530 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC001171425493 1032644917 /nfs/dbraw/zinc/64/49/17/1032644917.db2.gz DBCDCNGMNKVFDS-IBGZPJMESA-N 2 0 306.469 3.955 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894317966 1012754281 /nfs/dbraw/zinc/75/42/81/1012754281.db2.gz XPXJSUBLKUIUDQ-CHWSQXEVSA-N 2 0 323.893 3.912 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000516877775 1012855499 /nfs/dbraw/zinc/85/54/99/1012855499.db2.gz LZNDKGGKMJUWMF-SFTDATJTSA-N 2 0 324.468 3.763 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2OC)c1 ZINC000123927994 1032666237 /nfs/dbraw/zinc/66/62/37/1032666237.db2.gz WYVREICIGZMFOA-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000517046452 1012898379 /nfs/dbraw/zinc/89/83/79/1012898379.db2.gz VNFPCHYFYOIJTR-IHPCNDPISA-N 2 0 311.473 3.563 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@H](C)C1 ZINC000366687103 1013004600 /nfs/dbraw/zinc/00/46/00/1013004600.db2.gz WALFIOHHXDIVNO-FOZNTRSISA-N 2 0 308.416 3.531 20 0 DHADRP Cc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)s1 ZINC001167962623 1013035029 /nfs/dbraw/zinc/03/50/29/1013035029.db2.gz ZJDNDFLQAVDWCX-AYHJJNSGSA-N 2 0 318.530 3.984 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000475291433 1017120291 /nfs/dbraw/zinc/12/02/91/1017120291.db2.gz OMCZJKKOZOVIBV-OTWHNJEPSA-N 2 0 318.530 3.628 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000475335358 1017150651 /nfs/dbraw/zinc/15/06/51/1017150651.db2.gz REBFUJDKQBKYJJ-WLWJZTKJSA-N 2 0 304.453 3.782 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178040745 1017153183 /nfs/dbraw/zinc/15/31/83/1017153183.db2.gz XVYOKSSALSEFCH-FGTMMUONSA-N 2 0 304.478 3.535 20 0 DHADRP Clc1c2ccccc2sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314834424 1032695808 /nfs/dbraw/zinc/69/58/08/1032695808.db2.gz YCOGFDOXAWHMIP-BETUJISGSA-N 2 0 320.889 3.986 20 0 DHADRP CC(C)OCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476976613 1032697864 /nfs/dbraw/zinc/69/78/64/1032697864.db2.gz XVDUAWQSRMYSNN-GOSISDBHSA-N 2 0 310.526 3.778 20 0 DHADRP Cc1ccc(OC(F)F)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755160 1017407742 /nfs/dbraw/zinc/40/77/42/1017407742.db2.gz GYMPOQOBVNADIX-UHFFFAOYSA-N 2 0 324.415 3.514 20 0 DHADRP CSCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716679637 1032701183 /nfs/dbraw/zinc/70/11/83/1032701183.db2.gz FHTJVZVVZVIWEL-FHWLQOOXSA-N 2 0 318.530 3.772 20 0 DHADRP CC(C)SCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716683957 1032701644 /nfs/dbraw/zinc/70/16/44/1032701644.db2.gz VMGHTGRGSDUYCI-FHWLQOOXSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CS1 ZINC000716674416 1032704087 /nfs/dbraw/zinc/70/40/87/1032704087.db2.gz XJGFNFKXGJFRNU-RFZNHBKKSA-N 2 0 316.514 3.523 20 0 DHADRP Clc1cccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000623834473 1017530120 /nfs/dbraw/zinc/53/01/20/1017530120.db2.gz ZKYJYZQRNPNIOH-GJZGRUSLSA-N 2 0 317.864 3.580 20 0 DHADRP Clc1cccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000623834475 1017530881 /nfs/dbraw/zinc/53/08/81/1017530881.db2.gz ZKYJYZQRNPNIOH-LSDHHAIUSA-N 2 0 317.864 3.580 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623863886 1017541870 /nfs/dbraw/zinc/54/18/70/1017541870.db2.gz BDHKNPUCSGAGPM-HUUCEWRRSA-N 2 0 307.507 3.765 20 0 DHADRP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000631639289 1017555503 /nfs/dbraw/zinc/55/55/03/1017555503.db2.gz NAUBRELJNCNILM-FAEJEUNOSA-N 2 0 313.489 3.951 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000623867284 1017557371 /nfs/dbraw/zinc/55/73/71/1017557371.db2.gz WHTKVBLKVBRIMZ-QFBILLFUSA-N 2 0 304.478 3.576 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(C)ccc1C ZINC000623884573 1017565709 /nfs/dbraw/zinc/56/57/09/1017565709.db2.gz FCKAQKBGMZDJJX-FQEVSTJZSA-N 2 0 318.505 3.845 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444609214 1017587974 /nfs/dbraw/zinc/58/79/74/1017587974.db2.gz ASKZHLRLIYHQCX-YJBOKZPZSA-N 2 0 324.896 3.882 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCCCO1 ZINC000623923647 1017588843 /nfs/dbraw/zinc/58/88/43/1017588843.db2.gz HKRRPYVYYJZVBZ-LWSMDNFKSA-N 2 0 308.510 3.577 20 0 DHADRP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444609212 1017589581 /nfs/dbraw/zinc/58/95/81/1017589581.db2.gz ASKZHLRLIYHQCX-MAUKXSAKSA-N 2 0 324.896 3.882 20 0 DHADRP CCc1ccccc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000444661844 1017609835 /nfs/dbraw/zinc/60/98/35/1017609835.db2.gz BEDNLKXLMXDUDS-TZIWHRDSSA-N 2 0 312.501 3.740 20 0 DHADRP C[C@H](CN[C@@H](C)c1ccc(F)cc1C(F)(F)F)C[NH+](C)C ZINC000623987754 1017614913 /nfs/dbraw/zinc/61/49/13/1017614913.db2.gz NOJMZBOXYUJCLU-MNOVXSKESA-N 2 0 306.347 3.693 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1(C)C ZINC000623999523 1017629648 /nfs/dbraw/zinc/62/96/48/1017629648.db2.gz SUYSQNJHJGYLAF-YWPYICTPSA-N 2 0 310.844 3.797 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454598 1032714034 /nfs/dbraw/zinc/71/40/34/1032714034.db2.gz VJIJJSIUHTXPCM-YOEHRIQHSA-N 2 0 322.443 3.676 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171455058 1032714081 /nfs/dbraw/zinc/71/40/81/1032714081.db2.gz ZEXPWOSYNGJOAU-YOEHRIQHSA-N 2 0 324.459 3.922 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123268 1017694551 /nfs/dbraw/zinc/69/45/51/1017694551.db2.gz IVXZXZJWJCGLCZ-OTWHNJEPSA-N 2 0 315.505 3.738 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123654 1017695927 /nfs/dbraw/zinc/69/59/27/1017695927.db2.gz PVZWJYUNSFAXFS-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121103 1017696383 /nfs/dbraw/zinc/69/63/83/1017696383.db2.gz OAHNKYOEVQAIDN-IKGGRYGDSA-N 2 0 304.478 3.509 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)cc1 ZINC000181168445 1017729308 /nfs/dbraw/zinc/72/93/08/1017729308.db2.gz SCGKRPFZMMSPDV-UZLBHIALSA-N 2 0 324.468 3.935 20 0 DHADRP CC(C)C[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000125743652 1032719131 /nfs/dbraw/zinc/71/91/31/1032719131.db2.gz PIBNOLPZSFQSNQ-MJGOQNOKSA-N 2 0 303.494 3.879 20 0 DHADRP CC(C)(C)Oc1cc[nH+]c(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626983 1017737634 /nfs/dbraw/zinc/73/76/34/1017737634.db2.gz YNHOOKJNQALUHV-UHFFFAOYSA-N 2 0 305.466 3.744 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC000181382122 1017746053 /nfs/dbraw/zinc/74/60/53/1017746053.db2.gz PMNJIJTVMPBLEY-UYAOXDASSA-N 2 0 318.505 3.530 20 0 DHADRP CCc1cnc(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000925164285 1017760187 /nfs/dbraw/zinc/76/01/87/1017760187.db2.gz NVNRDFVZEVKKBN-AWEZNQCLSA-N 2 0 317.502 3.660 20 0 DHADRP CCOc1cc(Cl)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090772415 1017804378 /nfs/dbraw/zinc/80/43/78/1017804378.db2.gz RFAWZTZVVVIWGC-CYBMUJFWSA-N 2 0 310.869 3.559 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000182067684 1017858722 /nfs/dbraw/zinc/85/87/22/1017858722.db2.gz LPDIDJDIGUYQLI-KRWDZBQOSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358795053 1017888135 /nfs/dbraw/zinc/88/81/35/1017888135.db2.gz ZSSLHPYNXCSYQF-DZGCQCFKSA-N 2 0 300.368 3.582 20 0 DHADRP CCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445757159 1017967217 /nfs/dbraw/zinc/96/72/17/1017967217.db2.gz GKSGITGDWNQDRH-VQIMIIECSA-N 2 0 300.490 3.992 20 0 DHADRP C[C@@H]1C[C@H](Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000182973475 1017978509 /nfs/dbraw/zinc/97/85/09/1017978509.db2.gz QOKQNLWIBMJERH-SQGPQFPESA-N 2 0 315.505 3.956 20 0 DHADRP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])on2)cc1 ZINC000404353533 1018005836 /nfs/dbraw/zinc/00/58/36/1018005836.db2.gz KOGZBTDCOVJVPO-BEFAXECRSA-N 2 0 313.445 3.599 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000183417218 1018021242 /nfs/dbraw/zinc/02/12/42/1018021242.db2.gz RDPOWRQFQJEUFX-SZVBFZGTSA-N 2 0 304.453 3.563 20 0 DHADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070770 1018028475 /nfs/dbraw/zinc/02/84/75/1018028475.db2.gz QACFEKIWKAKDGR-ILZDJORESA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c3cccnc23)CCN1C ZINC000123354837 1018067761 /nfs/dbraw/zinc/06/77/61/1018067761.db2.gz GIDIUYMLHSIOEO-HIFRSBDPSA-N 2 0 317.864 3.803 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCC(F)(F)CC1 ZINC000658357302 1018182425 /nfs/dbraw/zinc/18/24/25/1018182425.db2.gz SRXLAEGGDILNNB-AWEZNQCLSA-N 2 0 314.464 3.912 20 0 DHADRP CC(C)(C)OCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000674908234 1018189132 /nfs/dbraw/zinc/18/91/32/1018189132.db2.gz JWVDNCQYHJEASA-GOSISDBHSA-N 2 0 310.526 3.780 20 0 DHADRP CCC(C)(C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164742 1018190587 /nfs/dbraw/zinc/19/05/87/1018190587.db2.gz OSVVBZUVRDWEDP-MRXNPFEDSA-N 2 0 303.494 3.708 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000380909467 1018209127 /nfs/dbraw/zinc/20/91/27/1018209127.db2.gz KDHXMTIPUUDZTF-FQEVSTJZSA-N 2 0 308.469 3.915 20 0 DHADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000380909476 1018211254 /nfs/dbraw/zinc/21/12/54/1018211254.db2.gz KDHXMTIPUUDZTF-HXUWFJFHSA-N 2 0 308.469 3.915 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000040620770 1018218735 /nfs/dbraw/zinc/21/87/35/1018218735.db2.gz HVASMCPUMRTTHQ-AWEZNQCLSA-N 2 0 300.368 3.525 20 0 DHADRP Cc1nc2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2s1 ZINC000446883844 1018286146 /nfs/dbraw/zinc/28/61/46/1018286146.db2.gz KFYAFUIOOBZEEV-UHFFFAOYSA-N 2 0 315.486 3.569 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c2ccccc2n1 ZINC000261830164 1018341130 /nfs/dbraw/zinc/34/11/30/1018341130.db2.gz XKNCGOJAJNOJPT-LJQANCHMSA-N 2 0 309.457 3.507 20 0 DHADRP CCN1CCC([N@H+](C)CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447313117 1018367250 /nfs/dbraw/zinc/36/72/50/1018367250.db2.gz JMABVYQGHIEMAS-UHFFFAOYSA-N 2 0 315.288 3.952 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447566632 1018427950 /nfs/dbraw/zinc/42/79/50/1018427950.db2.gz VDYZZWDAZDDZPN-HNNXBMFYSA-N 2 0 302.462 3.610 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000447817687 1018476279 /nfs/dbraw/zinc/47/62/79/1018476279.db2.gz ROORYYLJAPICLE-UHFFFAOYSA-N 2 0 324.871 3.876 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000447822527 1018479486 /nfs/dbraw/zinc/47/94/86/1018479486.db2.gz QDDFCYQZJGPYJM-PZJWPPBQSA-N 2 0 322.496 3.944 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)cs1 ZINC000635007623 1018506878 /nfs/dbraw/zinc/50/68/78/1018506878.db2.gz WIUYPCWYGGGTNB-NHCYSSNCSA-N 2 0 317.296 3.679 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000635012637 1018514801 /nfs/dbraw/zinc/51/48/01/1018514801.db2.gz UVEZJCIPHWAQST-YTQUADARSA-N 2 0 316.489 3.522 20 0 DHADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925204786 1018521262 /nfs/dbraw/zinc/52/12/62/1018521262.db2.gz GQSCXYGXMUKDTN-XLIONFOSSA-N 2 0 322.537 3.704 20 0 DHADRP CCCC1CCC(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650708352 1018523871 /nfs/dbraw/zinc/52/38/71/1018523871.db2.gz YFVNYTGYRBPLIL-GNWGEKMJSA-N 2 0 322.537 3.811 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)[C@@H]1CC[NH3+] ZINC000650711149 1018537563 /nfs/dbraw/zinc/53/75/63/1018537563.db2.gz JWOYQSDUPSEFDD-CZUORRHYSA-N 2 0 307.507 3.750 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000650712154 1018540164 /nfs/dbraw/zinc/54/01/64/1018540164.db2.gz SOFPNGKHMXLZSU-UHFFFAOYSA-N 2 0 320.383 3.660 20 0 DHADRP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527350123 1018554626 /nfs/dbraw/zinc/55/46/26/1018554626.db2.gz ZARLGTLVHMOSGM-APWZRJJASA-N 2 0 300.490 3.923 20 0 DHADRP CC(C)CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000675739999 1018569659 /nfs/dbraw/zinc/56/96/59/1018569659.db2.gz ZPYPLADCRRJFOL-PKOBYXMFSA-N 2 0 323.569 3.595 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCCOc2ccc(Cl)cc2)CC1 ZINC000675780196 1018581930 /nfs/dbraw/zinc/58/19/30/1018581930.db2.gz CXKYVGXMZBSYLD-UHFFFAOYSA-N 2 0 324.896 3.963 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000278355587 1018605856 /nfs/dbraw/zinc/60/58/56/1018605856.db2.gz AJJKMOMDUNXIIZ-LJQANCHMSA-N 2 0 318.530 3.584 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)C2 ZINC001171556220 1032776453 /nfs/dbraw/zinc/77/64/53/1032776453.db2.gz IKSVLLHYFLENQZ-UEXGIBASSA-N 2 0 314.517 3.986 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)C1 ZINC000151103429 1018635143 /nfs/dbraw/zinc/63/51/43/1018635143.db2.gz NSJUERSNGLDFBU-ZFWWWQNUSA-N 2 0 309.523 3.957 20 0 DHADRP C[C@@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000675932343 1018636370 /nfs/dbraw/zinc/63/63/70/1018636370.db2.gz ULGYQBJONJKXEZ-PJIJBLCYSA-N 2 0 304.453 3.769 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CCCO2 ZINC000650745487 1018641008 /nfs/dbraw/zinc/64/10/08/1018641008.db2.gz HVGBPMGYDJQIGL-HNNXBMFYSA-N 2 0 308.853 3.581 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000650745305 1018641252 /nfs/dbraw/zinc/64/12/52/1018641252.db2.gz DBFIKKDPXNLZBV-OAHLLOKOSA-N 2 0 312.379 3.875 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)c2cccc(Br)c21 ZINC000650744997 1018643051 /nfs/dbraw/zinc/64/30/51/1018643051.db2.gz ZMRNCTRASCGUTD-RISCZKNCSA-N 2 0 323.278 3.716 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746908 1018647171 /nfs/dbraw/zinc/64/71/71/1018647171.db2.gz NITCKPSVDGZCFF-HNNXBMFYSA-N 2 0 313.489 3.943 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)c(Cl)c1 ZINC000650752119 1018666296 /nfs/dbraw/zinc/66/62/96/1018666296.db2.gz JPFUGUIKRXLHJX-JTQLQIEISA-N 2 0 310.775 3.928 20 0 DHADRP Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CCC2)o1 ZINC000650754586 1018679809 /nfs/dbraw/zinc/67/98/09/1018679809.db2.gz MBRNWLQFJJLRJO-GOSISDBHSA-N 2 0 302.393 3.817 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000650756583 1018685810 /nfs/dbraw/zinc/68/58/10/1018685810.db2.gz FFUWITVZNNDZLL-FQEVSTJZSA-N 2 0 324.468 3.927 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000765238242 1018727253 /nfs/dbraw/zinc/72/72/53/1018727253.db2.gz NOPHRQYWORUMBV-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(-n2ccnc2)cc1 ZINC000052659406 1018735880 /nfs/dbraw/zinc/73/58/80/1018735880.db2.gz FFOXHEGMDSBCHA-HNNXBMFYSA-N 2 0 302.381 3.595 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@@H](C)C1 ZINC000624267251 1018768006 /nfs/dbraw/zinc/76/80/06/1018768006.db2.gz HHRRFDGRHBYLRZ-LPHOPBHVSA-N 2 0 309.457 3.569 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCCO2 ZINC000278519848 1018775482 /nfs/dbraw/zinc/77/54/82/1018775482.db2.gz SFQGMYLDKPXGLK-SFHVURJKSA-N 2 0 318.436 3.503 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000584008125 1018835214 /nfs/dbraw/zinc/83/52/14/1018835214.db2.gz CWNNCDHKNHFLRM-HNAYVOBHSA-N 2 0 320.908 3.983 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000263813429 1032789127 /nfs/dbraw/zinc/78/91/27/1032789127.db2.gz NRAIYKBKEBHQAW-KRWDZBQOSA-N 2 0 314.473 3.564 20 0 DHADRP CCOC1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000657825558 1018922471 /nfs/dbraw/zinc/92/24/71/1018922471.db2.gz ADECRXMDSUFGDN-UHFFFAOYSA-N 2 0 316.489 3.720 20 0 DHADRP Cc1ccnc(C2(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)c1 ZINC001171630353 1032795099 /nfs/dbraw/zinc/79/50/99/1032795099.db2.gz NMZJWLBAMGIEDJ-UHFFFAOYSA-N 2 0 315.505 3.663 20 0 DHADRP FCC1(CF)CC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000657824908 1018927689 /nfs/dbraw/zinc/92/76/89/1018927689.db2.gz AXWANSSCWFHHTJ-UHFFFAOYSA-N 2 0 322.443 3.850 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921531259 1018940134 /nfs/dbraw/zinc/94/01/34/1018940134.db2.gz BLFQPQQVHBJFBB-ZDUSSCGKSA-N 2 0 324.900 3.685 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000656199103 1018945032 /nfs/dbraw/zinc/94/50/32/1018945032.db2.gz MGBKXTSVCQNQMB-HNKHHVNMSA-N 2 0 323.278 3.555 20 0 DHADRP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000620761309 1018948785 /nfs/dbraw/zinc/94/87/85/1018948785.db2.gz ZGJWMRWLIVUGPQ-UHFFFAOYSA-N 2 0 311.473 3.886 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc2cnccc2o1 ZINC000657828306 1018951324 /nfs/dbraw/zinc/95/13/24/1018951324.db2.gz RSRGUBRSLJMOLH-AWEZNQCLSA-N 2 0 309.413 3.740 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC000159042488 1018986275 /nfs/dbraw/zinc/98/62/75/1018986275.db2.gz JXMOUFTUGDMYMH-IBGZPJMESA-N 2 0 304.478 3.618 20 0 DHADRP COc1ccc2c(c1)CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171632231 1032796862 /nfs/dbraw/zinc/79/68/62/1032796862.db2.gz XOIKYSKEOMZFTD-UHFFFAOYSA-N 2 0 316.489 3.705 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619520 1032802341 /nfs/dbraw/zinc/80/23/41/1032802341.db2.gz NPKXDXYCMDIVTN-CQSZACIVSA-N 2 0 304.478 3.997 20 0 DHADRP C[NH+](C)C[C@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171619280 1032802370 /nfs/dbraw/zinc/80/23/70/1032802370.db2.gz IDRJNPAHTGDUBR-SFHVURJKSA-N 2 0 317.521 3.530 20 0 DHADRP Cn1c(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc2ccccc21 ZINC001171619296 1032803674 /nfs/dbraw/zinc/80/36/74/1032803674.db2.gz IREKWQZXXOZRDG-UHFFFAOYSA-N 2 0 313.489 3.919 20 0 DHADRP C[NH+]1C(C)(C)CC(NC(=[NH2+])c2cc(F)cc(F)c2)CC1(C)C ZINC001171619043 1032803796 /nfs/dbraw/zinc/80/37/96/1032803796.db2.gz FRQFLIGAVDTJDO-UHFFFAOYSA-N 2 0 309.404 3.531 20 0 DHADRP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626031 1032805124 /nfs/dbraw/zinc/80/51/24/1032805124.db2.gz STIMRIOLQYZRAH-AWEZNQCLSA-N 2 0 304.478 3.564 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccccc1Br ZINC000387275124 1019067723 /nfs/dbraw/zinc/06/77/23/1019067723.db2.gz FBVULJXCJNFNJJ-UHFFFAOYSA-N 2 0 313.283 3.659 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657839663 1019087941 /nfs/dbraw/zinc/08/79/41/1019087941.db2.gz DFARNLIAQMMNQI-MAODMQOUSA-N 2 0 312.501 3.713 20 0 DHADRP C[NH+]1C(C)(C)CC(N2C[C@H](CC[NH3+])c3ccccc32)CC1(C)C ZINC001171623387 1032806552 /nfs/dbraw/zinc/80/65/52/1032806552.db2.gz WVJOPQOHSAZKLB-HNNXBMFYSA-N 2 0 315.505 3.590 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357720 1019093962 /nfs/dbraw/zinc/09/39/62/1019093962.db2.gz VYMDLTCMYULSPK-MRXNPFEDSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000387395855 1019102213 /nfs/dbraw/zinc/10/22/13/1019102213.db2.gz IVVQBBMDJLDTHT-GFCCVEGCSA-N 2 0 316.367 3.707 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2CC3(C2)CC(F)(F)C3)CC1(C)C ZINC001171625323 1032808235 /nfs/dbraw/zinc/80/82/35/1032808235.db2.gz HGGOVMRROKGQRB-UHFFFAOYSA-N 2 0 300.437 3.805 20 0 DHADRP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2ncccc12 ZINC000666996841 1032809040 /nfs/dbraw/zinc/80/90/40/1032809040.db2.gz IHXOLBUBABLKMC-AWEZNQCLSA-N 2 0 315.848 3.653 20 0 DHADRP O[C@@H](C[C@H]1CCCCC[N@@H+]1CCC[NH2+]C1CC1)c1cccs1 ZINC000923315160 1019124523 /nfs/dbraw/zinc/12/45/23/1019124523.db2.gz QLXBHZRXAKMGTD-SJORKVTESA-N 2 0 322.518 3.558 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C2(OC)CCC2)c1 ZINC000657842104 1019124904 /nfs/dbraw/zinc/12/49/04/1019124904.db2.gz UBKISUBKXLWURA-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Br)c1 ZINC000635006777 1019128854 /nfs/dbraw/zinc/12/88/54/1019128854.db2.gz NRYZHNSHTPWZML-HUBLWGQQSA-N 2 0 311.267 3.617 20 0 DHADRP COCCC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1 ZINC000635009724 1019133268 /nfs/dbraw/zinc/13/32/68/1019133268.db2.gz HTJSOUFHLUDPEZ-MSOLQXFVSA-N 2 0 322.468 3.661 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1cc2ccncc2s1)C[NH+]1CCCC1 ZINC000657844099 1019134674 /nfs/dbraw/zinc/13/46/74/1019134674.db2.gz GJQJDAVJABLJIL-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP CCc1onc(C)c1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923419836 1019196101 /nfs/dbraw/zinc/19/61/01/1019196101.db2.gz DRBZORZMZOBNBU-CRAIPNDOSA-N 2 0 319.493 3.665 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC000858246116 1032814887 /nfs/dbraw/zinc/81/48/87/1032814887.db2.gz VGJSQZKTZSVMCY-CQSZACIVSA-N 2 0 314.445 3.823 20 0 DHADRP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000923483069 1019232584 /nfs/dbraw/zinc/23/25/84/1019232584.db2.gz WXIHDGZEIBANIY-HNNXBMFYSA-N 2 0 315.486 3.543 20 0 DHADRP CC[N@H+](CCC1(OC)CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063845 1019279530 /nfs/dbraw/zinc/27/95/30/1019279530.db2.gz SNACTRMJTDAQMU-UHFFFAOYSA-N 2 0 304.478 3.529 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cncc(Cl)c1 ZINC000626063466 1019282988 /nfs/dbraw/zinc/28/29/88/1019282988.db2.gz FFHVGGKSZKYMBQ-UHFFFAOYSA-N 2 0 317.864 3.819 20 0 DHADRP FC(F)(F)C1CC([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000672622998 1019316481 /nfs/dbraw/zinc/31/64/81/1019316481.db2.gz MXGVIXXVHLLFKH-UHFFFAOYSA-N 2 0 304.400 3.714 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000672618001 1019321119 /nfs/dbraw/zinc/32/11/19/1019321119.db2.gz CPRSITAWIGIXBP-NWANDNLSSA-N 2 0 306.416 3.675 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000672618108 1019322163 /nfs/dbraw/zinc/32/21/63/1019322163.db2.gz ATJNYRXKFUQMCX-KBUPBQIOSA-N 2 0 304.400 3.572 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)ccc2n1 ZINC000322745900 1019341358 /nfs/dbraw/zinc/34/13/58/1019341358.db2.gz CLZOJKUCGMMQBY-OALUTQOASA-N 2 0 309.457 3.507 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Oc1ccccc1 ZINC000089722439 1019362256 /nfs/dbraw/zinc/36/22/56/1019362256.db2.gz AYDBAAIFNDOKPD-KRWDZBQOSA-N 2 0 316.489 3.841 20 0 DHADRP C[NH+](C)CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091262497 1019454387 /nfs/dbraw/zinc/45/43/87/1019454387.db2.gz OWSJASQEZVMWSJ-OAHLLOKOSA-N 2 0 300.368 3.698 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccnc1 ZINC000091340399 1019460131 /nfs/dbraw/zinc/46/01/31/1019460131.db2.gz KTPAQFCWNQUXET-LJQANCHMSA-N 2 0 315.436 3.769 20 0 DHADRP CC(C)[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000091372392 1019461927 /nfs/dbraw/zinc/46/19/27/1019461927.db2.gz ZVIPAXTULSLYIX-FQEVSTJZSA-N 2 0 324.472 3.680 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cccnc2)C(C)C)C1 ZINC000091400701 1019465349 /nfs/dbraw/zinc/46/53/49/1019465349.db2.gz OZGSSQMRFGDRQU-IEBWSBKVSA-N 2 0 303.494 3.736 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001171682175 1032833457 /nfs/dbraw/zinc/83/34/57/1032833457.db2.gz SJUSMXQIOLRQGV-IBGZPJMESA-N 2 0 323.484 3.842 20 0 DHADRP COc1cccc2c1CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171641928 1032839197 /nfs/dbraw/zinc/83/91/97/1032839197.db2.gz WIVCAXQTKZZONS-UHFFFAOYSA-N 2 0 316.489 3.705 20 0 DHADRP CC(C)[C@H]1[NH2+]CCc2ncn(C3CC(C)(C)[NH+](C)C(C)(C)C3)c21 ZINC001171643885 1032840679 /nfs/dbraw/zinc/84/06/79/1032840679.db2.gz XHIKSPAXXSVCPR-MRXNPFEDSA-N 2 0 318.509 3.550 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)[C@@H](C)C1 ZINC000624331440 1019626251 /nfs/dbraw/zinc/62/62/51/1019626251.db2.gz AAOYEFOWOABYKP-SUMWQHHRSA-N 2 0 319.880 3.684 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)[C@H](C)C1 ZINC000624331437 1019626285 /nfs/dbraw/zinc/62/62/85/1019626285.db2.gz AAOYEFOWOABYKP-CXAGYDPISA-N 2 0 319.880 3.684 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657872205 1019684653 /nfs/dbraw/zinc/68/46/53/1019684653.db2.gz OUKZQSRXTHERPL-ZDUSSCGKSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@@H](c1ccncc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000067716665 1019779631 /nfs/dbraw/zinc/77/96/31/1019779631.db2.gz VQIBOVFKCGHRNG-KRWDZBQOSA-N 2 0 301.478 3.731 20 0 DHADRP C[N@H+](CCCc1c(F)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443797 1019824755 /nfs/dbraw/zinc/82/47/55/1019824755.db2.gz FOAXGVBCEMHERJ-YIONKMFJSA-N 2 0 324.871 3.969 20 0 DHADRP c1ccc2cc(OCCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000166857091 1019830643 /nfs/dbraw/zinc/83/06/43/1019830643.db2.gz WXRAVGBZGHDZSR-WOJBJXKFSA-N 2 0 324.468 3.825 20 0 DHADRP CCCC[C@H](CC)CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457470 1019833000 /nfs/dbraw/zinc/83/30/00/1019833000.db2.gz COJJUWHOJUKYLA-ICSRJNTNSA-N 2 0 323.569 3.693 20 0 DHADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OCC2CC2)c1 ZINC000166921164 1019842158 /nfs/dbraw/zinc/84/21/58/1019842158.db2.gz TWHLGCIMLNUCGQ-MRXNPFEDSA-N 2 0 316.489 3.604 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000727931090 1019843354 /nfs/dbraw/zinc/84/33/54/1019843354.db2.gz GVPSYMBSEPSKEI-UHFFFAOYSA-N 2 0 314.445 3.775 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000843048598 1019855481 /nfs/dbraw/zinc/85/54/81/1019855481.db2.gz JOLWOKNGKGFYJJ-NSHDSACASA-N 2 0 300.418 3.561 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657892689 1019869949 /nfs/dbraw/zinc/86/99/49/1019869949.db2.gz XGYCMMJSGGOXKI-AWEZNQCLSA-N 2 0 301.434 3.600 20 0 DHADRP C[C@H](c1cccnc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264149797 1032863158 /nfs/dbraw/zinc/86/31/58/1032863158.db2.gz ZPYSTHXSWQVHTM-GOSISDBHSA-N 2 0 323.484 3.987 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)[C@H](C)C1 ZINC001168719382 1019957946 /nfs/dbraw/zinc/95/79/46/1019957946.db2.gz WXNVYKYQFYVNEW-DDUZABMNSA-N 2 0 306.881 3.516 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1(C)C ZINC001171780349 1032866571 /nfs/dbraw/zinc/86/65/71/1032866571.db2.gz HXNGDVSKWRJEJY-CQSZACIVSA-N 2 0 304.453 3.534 20 0 DHADRP CCCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1 ZINC000671762191 1019996627 /nfs/dbraw/zinc/99/66/27/1019996627.db2.gz SHWOEROSJCKGNH-UHFFFAOYSA-N 2 0 304.478 3.746 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658030430 1020095553 /nfs/dbraw/zinc/09/55/53/1020095553.db2.gz YPZCFIQWQRDRMW-OOKSDGMUSA-N 2 0 306.881 3.876 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000658063117 1020111777 /nfs/dbraw/zinc/11/17/77/1020111777.db2.gz RWEKHDZOKWGMGL-OPYAIIAOSA-N 2 0 323.484 3.685 20 0 DHADRP CCCC[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071213 1020131729 /nfs/dbraw/zinc/13/17/29/1020131729.db2.gz VXAAYLSKSQYIKF-SJORKVTESA-N 2 0 310.526 3.682 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000765786036 1020196305 /nfs/dbraw/zinc/19/63/05/1020196305.db2.gz ZEPFNEFGRNBYMK-IEBWSBKVSA-N 2 0 318.505 3.726 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C1 ZINC000658165789 1020198188 /nfs/dbraw/zinc/19/81/88/1020198188.db2.gz LVBOYFJCYHEJNN-FUHIMQAGSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000658164923 1020198647 /nfs/dbraw/zinc/19/86/47/1020198647.db2.gz GRHDEQIIKZMFCD-QGZVFWFLSA-N 2 0 315.505 3.852 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC1(C)C ZINC000658167342 1020199488 /nfs/dbraw/zinc/19/94/88/1020199488.db2.gz XOZUDTIWXFUCHT-RTBURBONSA-N 2 0 315.505 3.708 20 0 DHADRP COc1ccc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922682743 1020206697 /nfs/dbraw/zinc/20/66/97/1020206697.db2.gz AYLDNJODXGQANG-MSOLQXFVSA-N 2 0 324.468 3.607 20 0 DHADRP CCCCCC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000765796426 1020212538 /nfs/dbraw/zinc/21/25/38/1020212538.db2.gz KKMAFQXZUXCNEE-PMACEKPBSA-N 2 0 323.569 3.743 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658223195 1020230643 /nfs/dbraw/zinc/23/06/43/1020230643.db2.gz IYFOMVKHKBGCJH-NXHRZFHOSA-N 2 0 322.443 3.922 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658250067 1020256328 /nfs/dbraw/zinc/25/63/28/1020256328.db2.gz AFRRUJKMPAUFJC-DLBZAZTESA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000658251739 1020266289 /nfs/dbraw/zinc/26/62/89/1020266289.db2.gz JXGZGWZXPJACSX-KRWDZBQOSA-N 2 0 324.553 3.664 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658255121 1020270434 /nfs/dbraw/zinc/27/04/34/1020270434.db2.gz SIYWGLKZLIMMMN-BACDZXNISA-N 2 0 308.510 3.575 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CCCC1 ZINC000658313608 1020296060 /nfs/dbraw/zinc/29/60/60/1020296060.db2.gz DWHVGEZATDDGDR-FFZOFVMBSA-N 2 0 322.537 3.824 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000922846936 1020304450 /nfs/dbraw/zinc/30/44/50/1020304450.db2.gz HILOLXPFWJXQNL-ZRZPHAQCSA-N 2 0 314.473 3.549 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000922846162 1020305579 /nfs/dbraw/zinc/30/55/79/1020305579.db2.gz WDMITVBRQFGABT-UHFFFAOYSA-N 2 0 308.853 3.542 20 0 DHADRP CC(C)(C)c1csc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922847280 1020307305 /nfs/dbraw/zinc/30/73/05/1020307305.db2.gz YZXMLXOLZODIOC-UHFFFAOYSA-N 2 0 321.534 3.937 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922845073 1020309836 /nfs/dbraw/zinc/30/98/36/1020309836.db2.gz BARYMVWRQBFSPS-VIHIWDAPSA-N 2 0 308.510 3.577 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc3cnccc32)CC1 ZINC000922845332 1020309995 /nfs/dbraw/zinc/30/99/95/1020309995.db2.gz OEMCPVBYVPOXPX-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356519 1020322446 /nfs/dbraw/zinc/32/24/46/1020322446.db2.gz OPLHODCITJZJGF-INIZCTEOSA-N 2 0 318.480 3.858 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000282278714 1020359310 /nfs/dbraw/zinc/35/93/10/1020359310.db2.gz RPVBJNABLNPZBS-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000193281409 1020393345 /nfs/dbraw/zinc/39/33/45/1020393345.db2.gz XUBKXLACGZKPND-APWZRJJASA-N 2 0 301.478 3.788 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000282415687 1020393773 /nfs/dbraw/zinc/39/37/73/1020393773.db2.gz COJNYBXGMYCRMJ-KBXCAEBGSA-N 2 0 317.452 3.560 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C)ns1 ZINC000404485609 1020426068 /nfs/dbraw/zinc/42/60/68/1020426068.db2.gz KFMCEXVELZICCI-UHFFFAOYSA-N 2 0 303.475 3.583 20 0 DHADRP C[C@H](C[NH2+][C@@H](CCC1CCCC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000565970432 1032906837 /nfs/dbraw/zinc/90/68/37/1032906837.db2.gz BKJAMEZGYKGJHR-MJGOQNOKSA-N 2 0 323.569 3.597 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474486322 1020497783 /nfs/dbraw/zinc/49/77/83/1020497783.db2.gz GVBFEKGSBOOFGX-LMRVLLHPSA-N 2 0 306.416 3.675 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000569835005 1020504606 /nfs/dbraw/zinc/50/46/06/1020504606.db2.gz VOHLQENFUORMHX-SFHVURJKSA-N 2 0 318.505 3.963 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000628280098 1020562994 /nfs/dbraw/zinc/56/29/94/1020562994.db2.gz QAIXHGAZVMHFEA-INIZCTEOSA-N 2 0 322.880 3.512 20 0 DHADRP CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926685127 1020649412 /nfs/dbraw/zinc/64/94/12/1020649412.db2.gz XQMOAUSEHMKKRJ-KXBFYZLASA-N 2 0 304.478 3.604 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281032670 1020746829 /nfs/dbraw/zinc/74/68/29/1020746829.db2.gz GCYSZPASMRLMLG-KBAYOESNSA-N 2 0 322.443 3.922 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CC[C@@H]1[NH3+] ZINC000647499029 1020779268 /nfs/dbraw/zinc/77/92/68/1020779268.db2.gz XFOOKCANIFAJHI-KDOFPFPSSA-N 2 0 300.471 3.974 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3C[C@H]3C)CC2)cc1 ZINC000414076391 1020856728 /nfs/dbraw/zinc/85/67/28/1020856728.db2.gz OQWFPSIWIBVKQX-JXXFODFXSA-N 2 0 316.489 3.541 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171966214 1032936914 /nfs/dbraw/zinc/93/69/14/1032936914.db2.gz UDUFGWVMCWWGJW-HXUWFJFHSA-N 2 0 323.484 3.657 20 0 DHADRP Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1C ZINC000414167565 1020955621 /nfs/dbraw/zinc/95/56/21/1020955621.db2.gz PLVQOYQAISOCHI-UTKZUKDTSA-N 2 0 323.484 3.699 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414173091 1020960698 /nfs/dbraw/zinc/96/06/98/1020960698.db2.gz GELHNUDOWCFVAL-HKUYNNGSSA-N 2 0 306.469 3.714 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000414173591 1020962077 /nfs/dbraw/zinc/96/20/77/1020962077.db2.gz FWZOBHSYGACZGM-QWRGUYRKSA-N 2 0 321.412 3.544 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414173935 1020962433 /nfs/dbraw/zinc/96/24/33/1020962433.db2.gz HAWOGNYSESTDPW-SJLPKXTDSA-N 2 0 302.462 3.530 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414174962 1020963117 /nfs/dbraw/zinc/96/31/17/1020963117.db2.gz HVIVREDZZGAHRY-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccsc2S1 ZINC000414178582 1020964115 /nfs/dbraw/zinc/96/41/15/1020964115.db2.gz KSCYVKFYBVMAMR-YDHLFZDLSA-N 2 0 310.532 3.995 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccsc2S1 ZINC000414178580 1020965195 /nfs/dbraw/zinc/96/51/95/1020965195.db2.gz KSCYVKFYBVMAMR-GZBFAFLISA-N 2 0 310.532 3.995 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1SC ZINC000414198265 1020985763 /nfs/dbraw/zinc/98/57/63/1020985763.db2.gz WWWLGXQMNBEUIE-CABCVRRESA-N 2 0 322.518 3.800 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)ccc12 ZINC000414200615 1020988459 /nfs/dbraw/zinc/98/84/59/1020988459.db2.gz ZZDKJPBPNYQJGV-UZLBHIALSA-N 2 0 321.424 3.592 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)[C@H](C)C1 ZINC000414242762 1021026273 /nfs/dbraw/zinc/02/62/73/1021026273.db2.gz QGTNABPERNIIMV-PBHICJAKSA-N 2 0 322.443 3.706 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)OCC2CC2)CC1 ZINC000414250444 1021032192 /nfs/dbraw/zinc/03/21/92/1021032192.db2.gz BDEJNIHHIPGXEK-VQIMIIECSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000653279628 1021079237 /nfs/dbraw/zinc/07/92/37/1021079237.db2.gz VTKJAQMOQCXSIM-WFASDCNBSA-N 2 0 304.434 3.866 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000449079817 1021083552 /nfs/dbraw/zinc/08/35/52/1021083552.db2.gz QDXDGWCDHRWCJD-WOJBJXKFSA-N 2 0 323.569 3.599 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414343425 1021112828 /nfs/dbraw/zinc/11/28/28/1021112828.db2.gz JSMOLNYUCAETOK-PWIZWCRZSA-N 2 0 324.468 3.821 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000537946683 1032954998 /nfs/dbraw/zinc/95/49/98/1032954998.db2.gz PUHJREGDDVZVGG-DNVCBOLYSA-N 2 0 304.453 3.771 20 0 DHADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414347873 1021118181 /nfs/dbraw/zinc/11/81/81/1021118181.db2.gz NWUPPKJAJYYVBO-PXTPFGJHSA-N 2 0 322.452 3.636 20 0 DHADRP CC1(C)C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171970638 1032956347 /nfs/dbraw/zinc/95/63/47/1032956347.db2.gz DTQNSEVEJYJAHM-KZNAEPCWSA-N 2 0 304.453 3.767 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000647552368 1021158402 /nfs/dbraw/zinc/15/84/02/1021158402.db2.gz XQFDJSBGMNFXIN-CABCVRRESA-N 2 0 316.420 3.620 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423264085 1021165000 /nfs/dbraw/zinc/16/50/00/1021165000.db2.gz YAADHRAENPDTIW-DOMZBBRYSA-N 2 0 310.894 3.856 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423269887 1021165016 /nfs/dbraw/zinc/16/50/16/1021165016.db2.gz HGDKREYAHDJWLF-HESLUPGFSA-N 2 0 306.416 3.723 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423323190 1021174548 /nfs/dbraw/zinc/17/45/48/1021174548.db2.gz ACPGPZZFQYNBKD-XSCHDIRWSA-N 2 0 306.416 3.723 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000537985922 1032960117 /nfs/dbraw/zinc/96/01/17/1032960117.db2.gz GFPZARINQNPBJU-WFASDCNBSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)c1nc2ccccc2s1 ZINC000423371491 1021191187 /nfs/dbraw/zinc/19/11/87/1021191187.db2.gz GINCZOWRGRANOC-XDQVBPFNSA-N 2 0 303.475 3.648 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926785191 1021196517 /nfs/dbraw/zinc/19/65/17/1021196517.db2.gz JTBFEJBTCZKPJQ-QWHCGFSZSA-N 2 0 303.475 3.925 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926785173 1021197292 /nfs/dbraw/zinc/19/72/92/1021197292.db2.gz JTBFEJBTCZKPJQ-CHWSQXEVSA-N 2 0 303.475 3.925 20 0 DHADRP CC[N@@H+](Cc1ccoc1C)CC1CCN(c2ccccn2)CC1 ZINC000414399334 1021199721 /nfs/dbraw/zinc/19/97/21/1021199721.db2.gz SGVWOFVMFWZERB-UHFFFAOYSA-N 2 0 313.445 3.722 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC001171976502 1032961911 /nfs/dbraw/zinc/96/19/11/1032961911.db2.gz SDAHJYIMUYEKOV-ROUUACIJSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000090956526 1021255707 /nfs/dbraw/zinc/25/57/07/1021255707.db2.gz XHWZWJMZNNNGHL-XNJGSVPQSA-N 2 0 324.871 3.829 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000090956528 1021255786 /nfs/dbraw/zinc/25/57/86/1021255786.db2.gz XHWZWJMZNNNGHL-PBFPGSCMSA-N 2 0 324.871 3.829 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@H](C)C1 ZINC000090940967 1021256975 /nfs/dbraw/zinc/25/69/75/1021256975.db2.gz OLLCPWCEAFRYGU-PBHICJAKSA-N 2 0 306.881 3.692 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000090956529 1021257143 /nfs/dbraw/zinc/25/71/43/1021257143.db2.gz XHWZWJMZNNNGHL-IIYDPXPESA-N 2 0 324.871 3.829 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCCO1 ZINC001171978372 1032966055 /nfs/dbraw/zinc/96/60/55/1032966055.db2.gz YKWWOKZGIDHCRD-UHOSZYNNSA-N 2 0 316.489 3.587 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2c1 ZINC000092043145 1021328287 /nfs/dbraw/zinc/32/82/87/1021328287.db2.gz SNNBDPBSWPCSTA-CTNGQTDRSA-N 2 0 324.468 3.765 20 0 DHADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066683 1021331126 /nfs/dbraw/zinc/33/11/26/1021331126.db2.gz XTPGHNOZUUZYLP-VQIMIIECSA-N 2 0 302.437 3.583 20 0 DHADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066685 1021332354 /nfs/dbraw/zinc/33/23/54/1021332354.db2.gz XTPGHNOZUUZYLP-APWZRJJASA-N 2 0 302.437 3.583 20 0 DHADRP CCC[N@@H+](Cc1cc(Cl)c(F)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844491 1021357177 /nfs/dbraw/zinc/35/71/77/1021357177.db2.gz VGRSXHQPJOYMIB-LLVKDONJSA-N 2 0 319.251 3.954 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000181381578 1021475156 /nfs/dbraw/zinc/47/51/56/1021475156.db2.gz LDCYQAJGWSJMAR-UTKZUKDTSA-N 2 0 308.469 3.968 20 0 DHADRP CSCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090679 1032985110 /nfs/dbraw/zinc/98/51/10/1032985110.db2.gz VYUCTJOHTOCKHB-REPLKXPHSA-N 2 0 318.530 3.867 20 0 DHADRP CC1(C)OCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000556092823 1021519219 /nfs/dbraw/zinc/51/92/19/1021519219.db2.gz DXGJHPPOLTWPNI-LJQANCHMSA-N 2 0 316.489 3.720 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccncc2F)CC1 ZINC000556104878 1021527549 /nfs/dbraw/zinc/52/75/49/1021527549.db2.gz MUZZHXLAKJEJPN-OAHLLOKOSA-N 2 0 307.457 3.629 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850430070 1021529123 /nfs/dbraw/zinc/52/91/23/1021529123.db2.gz HZNODEORRPYDKX-MRXNPFEDSA-N 2 0 316.489 3.927 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1c(F)cccc1Cl)C2 ZINC001172100769 1032990406 /nfs/dbraw/zinc/99/04/06/1032990406.db2.gz SSODOZNCHDDXSR-BTTYYORXSA-N 2 0 310.844 3.627 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)nc1 ZINC000850581519 1021622685 /nfs/dbraw/zinc/62/26/85/1021622685.db2.gz GCXQMYVCTXYCMP-CYBMUJFWSA-N 2 0 307.869 3.508 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(C)C)[C@H](C)C1 ZINC000556258572 1021638928 /nfs/dbraw/zinc/63/89/28/1021638928.db2.gz BFOSBVKHTYZTIQ-KURKYZTESA-N 2 0 310.526 3.539 20 0 DHADRP FC1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068259 1032991552 /nfs/dbraw/zinc/99/15/52/1032991552.db2.gz PWZWMCWJJSYSCT-DJPWPSDPSA-N 2 0 302.437 3.662 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000093693404 1021654477 /nfs/dbraw/zinc/65/44/77/1021654477.db2.gz XWKMUIFEWZSQGE-LJQANCHMSA-N 2 0 323.484 3.912 20 0 DHADRP C[NH2+]Cc1cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccc(C)cc12 ZINC001172127285 1032992947 /nfs/dbraw/zinc/99/29/47/1032992947.db2.gz HMOUIAIEWFVGFO-PIIMJCKOSA-N 2 0 311.473 3.857 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000037209288 1021661629 /nfs/dbraw/zinc/66/16/29/1021661629.db2.gz YGAIWKPLQOJYKZ-LBPRGKRZSA-N 2 0 300.368 3.525 20 0 DHADRP Cc1ncsc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000093844593 1021687394 /nfs/dbraw/zinc/68/73/94/1021687394.db2.gz JYEVCPVGGPRPIO-OAHLLOKOSA-N 2 0 321.534 3.928 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000926887216 1021776346 /nfs/dbraw/zinc/77/63/46/1021776346.db2.gz HEXNOCDNYXYJRH-SOAISFHBSA-N 2 0 320.521 3.578 20 0 DHADRP c1nc(C2CCC2)sc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152689876 1021802687 /nfs/dbraw/zinc/80/26/87/1021802687.db2.gz LUKXJIOGVXPNAJ-UHFFFAOYSA-N 2 0 319.518 3.718 20 0 DHADRP c1cncc(CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000930080976 1021804262 /nfs/dbraw/zinc/80/42/62/1021804262.db2.gz ZGBCUNQBFMZNCX-UHFFFAOYSA-N 2 0 315.505 3.602 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C)CCC(F)(F)CC1)C2 ZINC001172110957 1033009615 /nfs/dbraw/zinc/00/96/15/1033009615.db2.gz MPJBJVUCZRULFL-QDMKHBRRSA-N 2 0 300.437 3.807 20 0 DHADRP Cc1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000619724793 1021851625 /nfs/dbraw/zinc/85/16/25/1021851625.db2.gz WASOEPACMPYBFQ-UHFFFAOYSA-N 2 0 307.507 3.540 20 0 DHADRP CCCSC[C@H](C)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000893080133 1021886195 /nfs/dbraw/zinc/88/61/95/1021886195.db2.gz NCSNIQKFFCNLHZ-RDJZCZTQSA-N 2 0 317.502 3.825 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(F)cc1Cl)C2 ZINC001172116786 1033015524 /nfs/dbraw/zinc/01/55/24/1033015524.db2.gz IPMDOWXYXDOJED-PHZGNYQRSA-N 2 0 310.844 3.627 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000556879408 1021921265 /nfs/dbraw/zinc/92/12/65/1021921265.db2.gz SQDSIDYEIQXEFY-VRCPBSEVSA-N 2 0 316.464 3.924 20 0 DHADRP C[C@H]([NH2+]CCc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153021348 1021929233 /nfs/dbraw/zinc/92/92/33/1021929233.db2.gz RIRWZLXJHQDZGV-KRWDZBQOSA-N 2 0 312.457 3.520 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1cccc(Cl)c1 ZINC000556888089 1021930085 /nfs/dbraw/zinc/93/00/85/1021930085.db2.gz XCHKBAKKCHQRFX-PILAGYSTSA-N 2 0 322.880 3.570 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1cccc(Cl)c1 ZINC000556888088 1021931832 /nfs/dbraw/zinc/93/18/32/1021931832.db2.gz XCHKBAKKCHQRFX-BVPBIZIASA-N 2 0 322.880 3.570 20 0 DHADRP Oc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000379814624 1021971298 /nfs/dbraw/zinc/97/12/98/1021971298.db2.gz QISVFBQXLQLUOE-FQEVSTJZSA-N 2 0 324.468 3.784 20 0 DHADRP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001172119435 1033022539 /nfs/dbraw/zinc/02/25/39/1033022539.db2.gz ZVCXFFAXTGPXEG-BMFAXAFESA-N 2 0 301.478 3.774 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(F)n2)CC1)CC1CC1 ZINC000851889912 1022030271 /nfs/dbraw/zinc/03/02/71/1022030271.db2.gz RXCJPDJBYLUGCU-UHFFFAOYSA-N 2 0 319.468 3.555 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000387258457 1022058329 /nfs/dbraw/zinc/05/83/29/1022058329.db2.gz FESWMCUSLALDCC-JKSUJKDBSA-N 2 0 300.490 3.946 20 0 DHADRP COc1c(C)cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000920179124 1022068259 /nfs/dbraw/zinc/06/82/59/1022068259.db2.gz AUXMFGWHATXYCX-MRXNPFEDSA-N 2 0 318.505 3.914 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000925519126 1022098056 /nfs/dbraw/zinc/09/80/56/1022098056.db2.gz HNJJEZOTOUOGNG-IEBWSBKVSA-N 2 0 321.553 3.527 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CCc2ccccc2)C1 ZINC000538305404 1033029000 /nfs/dbraw/zinc/02/90/00/1033029000.db2.gz QMYABZDPZAEHIC-AZUAARDMSA-N 2 0 302.506 3.919 20 0 DHADRP C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205993655 1022150403 /nfs/dbraw/zinc/15/04/03/1022150403.db2.gz IFCJDMBZRWHFGF-NWDGAFQWSA-N 2 0 318.358 3.651 20 0 DHADRP Clc1cccc(SCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000852748456 1022171896 /nfs/dbraw/zinc/17/18/96/1022171896.db2.gz WEFQSJGUGLFHSQ-MRXNPFEDSA-N 2 0 310.894 3.508 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000309887735 1022180248 /nfs/dbraw/zinc/18/02/48/1022180248.db2.gz ADFWSPNALPKXAP-UXHICEINSA-N 2 0 314.473 3.571 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cc(Cl)ccc1Cl)C2 ZINC001169080318 1022250238 /nfs/dbraw/zinc/25/02/38/1022250238.db2.gz MMEMZZOOVGZMPR-QKDCVEJESA-N 2 0 313.272 3.751 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1cccc(F)c1)C2 ZINC001169118608 1022258527 /nfs/dbraw/zinc/25/85/27/1022258527.db2.gz LRPMVRXCISEWRO-NNZMDNLPSA-N 2 0 304.453 3.609 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCc3c(Cl)cccc31)C2 ZINC001169122539 1022258696 /nfs/dbraw/zinc/25/86/96/1022258696.db2.gz AFSOURLLDPKZSC-FLTUCWPJSA-N 2 0 304.865 3.932 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCCCCCCC[NH3+])C2 ZINC001169114935 1022269221 /nfs/dbraw/zinc/26/92/21/1022269221.db2.gz ZYGFRDXGVRJTSX-LDLYASANSA-N 3 0 309.542 3.671 20 0 DHADRP CC1(C)C[C@H](Nc2ccc(C3([NH3+])CC3)cc2)C[C@](C)(C[NH3+])C1 ZINC001169147136 1022277042 /nfs/dbraw/zinc/27/70/42/1022277042.db2.gz SMNUCWPVWOGAIA-WMZOPIPTSA-N 2 0 301.478 3.590 20 0 DHADRP CC1(C)C[C@H](Nc2ccc(C3([NH3+])CC3)cc2)C[C@@](C)(C[NH3+])C1 ZINC001169147133 1022277578 /nfs/dbraw/zinc/27/75/78/1022277578.db2.gz SMNUCWPVWOGAIA-FUHWJXTLSA-N 2 0 301.478 3.590 20 0 DHADRP CC1(C)C[C@H](Nc2cc(OCC3CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169147526 1022279285 /nfs/dbraw/zinc/27/92/85/1022279285.db2.gz XIYYGYWFWHJMGL-KXBFYZLASA-N 2 0 317.477 3.826 20 0 DHADRP CC1(C)C[C@H](Nc2cccc3c2CC[C@H]3[NH3+])C[C@@](C)(C[NH3+])C1 ZINC001169150029 1022279339 /nfs/dbraw/zinc/27/93/39/1022279339.db2.gz ABTNGVMZNUCXMA-URKNILKWSA-N 2 0 301.478 3.588 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1[C@H]1CCCC[NH2+]1)C2 ZINC001169148466 1022279974 /nfs/dbraw/zinc/27/99/74/1022279974.db2.gz ZLPMFQMFNWCCOB-MUQADHOPSA-N 2 0 324.472 3.649 20 0 DHADRP CC1(C)C[C@@H](Nc2cc(OC(F)F)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169147639 1022280782 /nfs/dbraw/zinc/28/07/82/1022280782.db2.gz SBEIGQTUXWGBLS-BZNIZROVSA-N 2 0 313.392 3.639 20 0 DHADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)C1CCCCC1 ZINC000154505452 1022303739 /nfs/dbraw/zinc/30/37/39/1022303739.db2.gz SDWWYPKCNUJSIS-FQEVSTJZSA-N 2 0 323.569 3.743 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(Cc3cccc(F)c3)CCC2)CC1 ZINC001169241909 1022323289 /nfs/dbraw/zinc/32/32/89/1022323289.db2.gz TZQHRPIHHCQTBA-UHFFFAOYSA-N 2 0 304.453 3.612 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925551263 1022384681 /nfs/dbraw/zinc/38/46/81/1022384681.db2.gz BKTWJDOQORZELU-AZUAARDMSA-N 3 0 317.521 3.711 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695658096 1022396130 /nfs/dbraw/zinc/39/61/30/1022396130.db2.gz ZQOIVIINCCRMSN-UXLLHSPISA-N 2 0 306.881 3.647 20 0 DHADRP CC1(C)C[N@H+](CCF)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854044560 1022396812 /nfs/dbraw/zinc/39/68/12/1022396812.db2.gz LKSSGXFBWVUOAU-SFHVURJKSA-N 2 0 304.453 3.579 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCN1CCCC1 ZINC000671098023 1022423231 /nfs/dbraw/zinc/42/32/31/1022423231.db2.gz HUVCPYWFDJHCIK-INIZCTEOSA-N 2 0 313.489 3.910 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000269996725 1022427770 /nfs/dbraw/zinc/42/77/70/1022427770.db2.gz WMJRKQVDGZQOQD-SZMVWBNQSA-N 2 0 302.462 3.751 20 0 DHADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCC[C@H]1CCC[NH2+]1 ZINC001169570102 1022454084 /nfs/dbraw/zinc/45/40/84/1022454084.db2.gz YNSVBNAVLKZVEV-GOSISDBHSA-N 2 0 301.478 3.535 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000671099128 1022455802 /nfs/dbraw/zinc/45/58/02/1022455802.db2.gz ZKVHVGKUVQOXIW-SJORKVTESA-N 2 0 318.505 3.822 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000671099126 1022456772 /nfs/dbraw/zinc/45/67/72/1022456772.db2.gz ZKVHVGKUVQOXIW-IAGOWNOFSA-N 2 0 318.505 3.822 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cnccc1/C=C/[NH+](C)C ZINC001169689563 1022501227 /nfs/dbraw/zinc/50/12/27/1022501227.db2.gz LDNXRTYDLNPPIR-PEKVBPLLSA-N 2 0 322.456 3.854 20 0 DHADRP C[C@H]([NH2+]CCc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272500728 1022507117 /nfs/dbraw/zinc/50/71/17/1022507117.db2.gz NWKVFOLKIVUMOF-WMZOPIPTSA-N 2 0 314.498 3.791 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172200736 1033059156 /nfs/dbraw/zinc/05/91/56/1033059156.db2.gz KMNQHQDZUOSHAQ-NVXWUHKLSA-N 2 0 304.503 3.544 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000671105759 1022511555 /nfs/dbraw/zinc/51/15/55/1022511555.db2.gz OFUNHSUVKNFZHM-KRWDZBQOSA-N 2 0 318.505 3.966 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(C)c2)CC1 ZINC001172246547 1033067109 /nfs/dbraw/zinc/06/71/09/1033067109.db2.gz MWVJFPOGVOISOK-HNNXBMFYSA-N 2 0 324.896 3.800 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(F)cc1 ZINC001172246221 1033067760 /nfs/dbraw/zinc/06/77/60/1033067760.db2.gz HUIGZWOXDLZSHY-LJQANCHMSA-N 2 0 322.468 3.757 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(C)c1C ZINC001172249843 1033070429 /nfs/dbraw/zinc/07/04/29/1033070429.db2.gz SBNIZLFHAMKKBV-HXUWFJFHSA-N 2 0 318.505 3.845 20 0 DHADRP CCCCC[C@H]([NH2+]C)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001212281184 1022680894 /nfs/dbraw/zinc/68/08/94/1022680894.db2.gz KZFKDQFDHKBDAH-INIZCTEOSA-N 2 0 316.449 3.639 20 0 DHADRP CCc1nocc1C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000660202691 1022703446 /nfs/dbraw/zinc/70/34/46/1022703446.db2.gz GLZYPFMAKAXYHD-CYBMUJFWSA-N 2 0 310.401 3.582 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 ZINC000180415796 1022724760 /nfs/dbraw/zinc/72/47/60/1022724760.db2.gz IGIYHBKOPTZBFS-CZUORRHYSA-N 2 0 310.869 3.516 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000876499196 1033077752 /nfs/dbraw/zinc/07/77/52/1033077752.db2.gz BEVIDAGGQLARNP-MRXNPFEDSA-N 2 0 321.896 3.822 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C2CCC(OC(C)C)CC2)CC1 ZINC000925611934 1022796853 /nfs/dbraw/zinc/79/68/53/1022796853.db2.gz OHUISIAYFBRSAV-UHFFFAOYSA-N 2 0 310.526 3.823 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(C)oc2C)CC1 ZINC000660244893 1022803004 /nfs/dbraw/zinc/80/30/04/1022803004.db2.gz UNJKTMFWXOGCNI-UHFFFAOYSA-N 2 0 307.482 3.625 20 0 DHADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000621767336 1022863515 /nfs/dbraw/zinc/86/35/15/1022863515.db2.gz CANDXVBQECYRHU-FJIDUMEYSA-N 2 0 320.427 3.817 20 0 DHADRP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc2c(c1)CCCO2 ZINC000768088842 1022880117 /nfs/dbraw/zinc/88/01/17/1022880117.db2.gz CMQGIQQKVJMBSA-SFHVURJKSA-N 2 0 304.478 3.783 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768108865 1022890546 /nfs/dbraw/zinc/89/05/46/1022890546.db2.gz RWHRVDDMOWCUSO-QRVBRYPASA-N 2 0 316.489 3.925 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC=C(c3ccc(F)cc3)CC1)[NH2+]2 ZINC000925628831 1022891601 /nfs/dbraw/zinc/89/16/01/1022891601.db2.gz JUTFZLCKRLWIBS-JALYJVOISA-N 2 0 314.448 3.880 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414909058 1022904044 /nfs/dbraw/zinc/90/40/44/1022904044.db2.gz BVDPUJGPLOWXTF-WOJBJXKFSA-N 2 0 308.469 3.700 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000414929673 1022927836 /nfs/dbraw/zinc/92/78/36/1022927836.db2.gz RWJUOLXRJWXQBC-RYUDHWBXSA-N 2 0 306.759 3.718 20 0 DHADRP CC[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000164857125 1022965185 /nfs/dbraw/zinc/96/51/85/1022965185.db2.gz CPALXDCQCVCCEL-LJQANCHMSA-N 2 0 321.553 3.638 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(N2CCCCC2)c1 ZINC001167752918 1023040237 /nfs/dbraw/zinc/04/02/37/1023040237.db2.gz ISNGFAVDKSZEBH-QGZVFWFLSA-N 2 0 316.493 3.748 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCOC(C)(C)C)cc1 ZINC000859213682 1033101031 /nfs/dbraw/zinc/10/10/31/1033101031.db2.gz ZBSVFQUHGJWIOQ-UHFFFAOYSA-N 2 0 306.494 3.775 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249638162 1023048132 /nfs/dbraw/zinc/04/81/32/1023048132.db2.gz XEOYHDNJFSZIPQ-UXLLHSPISA-N 2 0 302.462 3.696 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCOc3ccccc3)CC[C@H]21 ZINC000249783738 1023062687 /nfs/dbraw/zinc/06/26/87/1023062687.db2.gz LSVVMIVIUDMGGW-AZUAARDMSA-N 2 0 316.489 3.652 20 0 DHADRP c1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250540730 1023086563 /nfs/dbraw/zinc/08/65/63/1023086563.db2.gz RKUUDFRMUZXFSM-RCCFBDPRSA-N 2 0 304.503 3.679 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC000925678367 1023089410 /nfs/dbraw/zinc/08/94/10/1023089410.db2.gz CYXMUAJMDZVJHI-OAHLLOKOSA-N 2 0 323.362 3.670 20 0 DHADRP Cn1cccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364434327 1023177871 /nfs/dbraw/zinc/17/78/71/1023177871.db2.gz JDZWBJBTZZNFTP-UHFFFAOYSA-N 2 0 323.484 3.513 20 0 DHADRP C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1cccnc1Cl ZINC000162744136 1023186639 /nfs/dbraw/zinc/18/66/39/1023186639.db2.gz CGJTYWMLUYTBTM-HNNXBMFYSA-N 2 0 317.864 3.908 20 0 DHADRP c1nc(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)n2c1CCCC2 ZINC000660436103 1023195361 /nfs/dbraw/zinc/19/53/61/1023195361.db2.gz PUNPRJMKFSPOND-BPQIPLTHSA-N 2 0 313.489 3.835 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000769868531 1023221718 /nfs/dbraw/zinc/22/17/18/1023221718.db2.gz AINNQLBOYUOMCK-OOHWJJMZSA-N 2 0 319.493 3.993 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172332675 1033117973 /nfs/dbraw/zinc/11/79/73/1033117973.db2.gz VFTOFJAUZXJRBD-MSOLQXFVSA-N 2 0 322.537 3.921 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172341439 1033125953 /nfs/dbraw/zinc/12/59/53/1033125953.db2.gz ZXJZUKAOWBTMLM-HOTGVXAUSA-N 2 0 322.468 3.669 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661317 1023367374 /nfs/dbraw/zinc/36/73/74/1023367374.db2.gz ZZWMIUIRKAYQMN-KBXCAEBGSA-N 2 0 324.415 3.767 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccccc1 ZINC000925715949 1023376391 /nfs/dbraw/zinc/37/63/91/1023376391.db2.gz LEEVESOVZFSMSF-INIZCTEOSA-N 2 0 323.362 3.670 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925718424 1023405440 /nfs/dbraw/zinc/40/54/40/1023405440.db2.gz IQRAODGDQKIGGT-KZNAEPCWSA-N 2 0 308.510 3.625 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651757975 1023521306 /nfs/dbraw/zinc/52/13/06/1023521306.db2.gz JTSZXOIEXSTRDN-CQSZACIVSA-N 2 0 310.844 3.788 20 0 DHADRP CC[C@H](OCC[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000651908551 1023629898 /nfs/dbraw/zinc/62/98/98/1023629898.db2.gz HXSSEMKDCJDMGL-IBGZPJMESA-N 2 0 304.478 3.617 20 0 DHADRP FCC[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661690134 1023687277 /nfs/dbraw/zinc/68/72/77/1023687277.db2.gz JPEWVJPYTKCDFC-IRXDYDNUSA-N 2 0 302.453 3.520 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001170061385 1023714507 /nfs/dbraw/zinc/71/45/07/1023714507.db2.gz OFGSBUBZMVHXHO-GOSISDBHSA-N 2 0 317.521 3.743 20 0 DHADRP C[C@H]([NH2+]C1(C2CCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000652271238 1023725157 /nfs/dbraw/zinc/72/51/57/1023725157.db2.gz GMGUDPIYPMSOEZ-HNNXBMFYSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347967 1023806386 /nfs/dbraw/zinc/80/63/86/1023806386.db2.gz QDMJWIHEIGSHSM-AETAKHFUSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172384272 1033170765 /nfs/dbraw/zinc/17/07/65/1033170765.db2.gz VHLKDMLSWQESNY-IIDMSEBBSA-N 2 0 301.478 3.773 20 0 DHADRP CC[C@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172394432 1033177952 /nfs/dbraw/zinc/17/79/52/1033177952.db2.gz UCKKCVVUGLGFFC-LJQANCHMSA-N 2 0 303.494 3.708 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000194837367 1024016002 /nfs/dbraw/zinc/01/60/02/1024016002.db2.gz LADBYKDDJLXGNG-INIZCTEOSA-N 2 0 310.441 3.839 20 0 DHADRP Clc1cccc(SCCN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000662245025 1024024766 /nfs/dbraw/zinc/02/47/66/1024024766.db2.gz LMQQLPUBKPDCCH-UHFFFAOYSA-N 2 0 324.921 3.896 20 0 DHADRP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C)c1cccc(OC)c1 ZINC000662252537 1024033274 /nfs/dbraw/zinc/03/32/74/1024033274.db2.gz PXEGWHSXQNGJRZ-INIZCTEOSA-N 2 0 324.468 3.924 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000538798477 1033182886 /nfs/dbraw/zinc/18/28/86/1033182886.db2.gz HRSNUEGKISNERZ-QUCCMNQESA-N 2 0 316.489 3.638 20 0 DHADRP C[NH2+]CCC1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662264332 1024041386 /nfs/dbraw/zinc/04/13/86/1024041386.db2.gz IXRZWXWSWRWHAZ-UHFFFAOYSA-N 2 0 312.910 3.754 20 0 DHADRP CCC[NH+](CCC)CCN1CC[NH+]([C@H](CC)CC(C)C)CC1 ZINC001172399344 1033183898 /nfs/dbraw/zinc/18/38/98/1033183898.db2.gz CBGSYYHWFWQETL-LJQANCHMSA-N 2 0 311.558 3.551 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000662284719 1024066797 /nfs/dbraw/zinc/06/67/97/1024066797.db2.gz OYMIDDUJPBVILC-VAMGGRTRSA-N 2 0 316.489 3.671 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2ccccc2n1 ZINC000662293780 1024073514 /nfs/dbraw/zinc/07/35/14/1024073514.db2.gz NSPQXNWZIFPWTD-GOSISDBHSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297403 1024081064 /nfs/dbraw/zinc/08/10/64/1024081064.db2.gz PILWDCNAOSYJFL-DZGCQCFKSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nc(Cl)cs1 ZINC000876933029 1033186692 /nfs/dbraw/zinc/18/66/92/1033186692.db2.gz CKXQWQHCWSIDSQ-GFCCVEGCSA-N 2 0 301.887 3.541 20 0 DHADRP Clc1ccc2sc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2n1 ZINC000876939584 1033187603 /nfs/dbraw/zinc/18/76/03/1033187603.db2.gz ILYCMEARMICWBV-NWDGAFQWSA-N 2 0 321.877 3.666 20 0 DHADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)CCCC[NH3+])CCCC2 ZINC000925765038 1024128664 /nfs/dbraw/zinc/12/86/64/1024128664.db2.gz CTOHJMLZBHXYMZ-WMLDXEAASA-N 2 0 320.477 3.578 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)C1 ZINC000796694470 1024129407 /nfs/dbraw/zinc/12/94/07/1024129407.db2.gz KQBAAGZDTXLNFD-ZIAGYGMSSA-N 2 0 310.869 3.649 20 0 DHADRP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc32)cn1 ZINC000268735100 1024149811 /nfs/dbraw/zinc/14/98/11/1024149811.db2.gz BGAQKIGWXDPDHI-HXUWFJFHSA-N 2 0 303.409 3.709 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000268761533 1024155796 /nfs/dbraw/zinc/15/57/96/1024155796.db2.gz HLSWVMIQEGTRQY-IAGOWNOFSA-N 2 0 316.489 3.880 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193508284 1024160917 /nfs/dbraw/zinc/16/09/17/1024160917.db2.gz CFQAQAQFVGIFBJ-HNNXBMFYSA-N 2 0 304.437 3.830 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193508293 1024161249 /nfs/dbraw/zinc/16/12/49/1024161249.db2.gz CFQAQAQFVGIFBJ-OAHLLOKOSA-N 2 0 304.437 3.830 20 0 DHADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876947754 1033190516 /nfs/dbraw/zinc/19/05/16/1033190516.db2.gz GDVHMLILGJGXET-SPLOXXLWSA-N 2 0 318.442 3.562 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3ccc(O)cc3)CC2)C1 ZINC000268841713 1024176285 /nfs/dbraw/zinc/17/62/85/1024176285.db2.gz ZRGNBIHAYUGVAQ-LPHOPBHVSA-N 2 0 316.489 3.567 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000268991396 1024211959 /nfs/dbraw/zinc/21/19/59/1024211959.db2.gz JUBZLOVXHOFYKI-OAHLLOKOSA-N 2 0 302.462 3.753 20 0 DHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269063213 1024235563 /nfs/dbraw/zinc/23/55/63/1024235563.db2.gz YFLVZQKEXMQUDE-OAHLLOKOSA-N 2 0 304.453 3.753 20 0 DHADRP COCc1c(C)cc(C)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1C ZINC000883147134 1024259685 /nfs/dbraw/zinc/25/96/85/1024259685.db2.gz LOLQFKOFLNRPCI-UHFFFAOYSA-N 2 0 318.505 3.721 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001172436412 1033197971 /nfs/dbraw/zinc/19/79/71/1033197971.db2.gz AWQIJGJTCIKVNZ-KRWDZBQOSA-N 2 0 310.526 3.824 20 0 DHADRP Cc1ccccc1C[N@@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663388553 1024279044 /nfs/dbraw/zinc/27/90/44/1024279044.db2.gz ZDYNKVCLMKPJRK-UHFFFAOYSA-N 2 0 320.440 3.584 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccncn1 ZINC000453055157 1024306650 /nfs/dbraw/zinc/30/66/50/1024306650.db2.gz DHWIXVUIQKAXHB-DLBZAZTESA-N 2 0 324.472 3.559 20 0 DHADRP C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccncn1 ZINC000453059713 1024309431 /nfs/dbraw/zinc/30/94/31/1024309431.db2.gz MYWHSGGYJCUQDO-IRXDYDNUSA-N 2 0 324.472 3.702 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682591 1024313133 /nfs/dbraw/zinc/31/31/33/1024313133.db2.gz SKSARVAQRQTKHS-BHIYHBOVSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000453087353 1024323397 /nfs/dbraw/zinc/32/33/97/1024323397.db2.gz NSTDNJQGLTUTRD-QGZVFWFLSA-N 2 0 311.473 3.644 20 0 DHADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000883266508 1024338388 /nfs/dbraw/zinc/33/83/88/1024338388.db2.gz BXYAYKNSSCITGM-GUDVDZBRSA-N 2 0 314.473 3.535 20 0 DHADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000883266511 1024338605 /nfs/dbraw/zinc/33/86/05/1024338605.db2.gz BXYAYKNSSCITGM-QRVBRYPASA-N 2 0 314.473 3.535 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453115936 1024344043 /nfs/dbraw/zinc/34/40/43/1024344043.db2.gz XIVRQGRTNJQQKO-IEBWSBKVSA-N 2 0 303.494 3.503 20 0 DHADRP CSC(C)(C)CC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000877007568 1033205289 /nfs/dbraw/zinc/20/52/89/1033205289.db2.gz WHHCHCXOLAXUOG-GOSISDBHSA-N 2 0 320.546 3.672 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000453192162 1024393763 /nfs/dbraw/zinc/39/37/63/1024393763.db2.gz JAMCSUJVBZDWLB-MSOLQXFVSA-N 2 0 303.494 3.647 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000883356657 1024402557 /nfs/dbraw/zinc/40/25/57/1024402557.db2.gz RWDMJKMQLPILQQ-NEWSRXKRSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467971 1024406097 /nfs/dbraw/zinc/40/60/97/1024406097.db2.gz JCJVDOYKZJKWQB-JENIJYKNSA-N 2 0 300.490 3.890 20 0 DHADRP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467174 1024407783 /nfs/dbraw/zinc/40/77/83/1024407783.db2.gz DDWBUTQDJRBVSP-NVXWUHKLSA-N 2 0 304.503 3.837 20 0 DHADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466962 1024409528 /nfs/dbraw/zinc/40/95/28/1024409528.db2.gz CESVIKNITISCLE-FXAWDEMLSA-N 2 0 300.490 3.719 20 0 DHADRP Fc1cccc(C2CC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)c1 ZINC000663466707 1024412502 /nfs/dbraw/zinc/41/25/02/1024412502.db2.gz XFYQCSNYOYOFQT-PPDQVPDSSA-N 2 0 316.464 3.783 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453237057 1024418151 /nfs/dbraw/zinc/41/81/51/1024418151.db2.gz MARSDSIBCPUVQX-OSVATCMCSA-N 2 0 316.464 3.910 20 0 DHADRP CC[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1F ZINC000663468235 1024418501 /nfs/dbraw/zinc/41/85/01/1024418501.db2.gz KRDLSVZJDLONLS-VQIMIIECSA-N 2 0 304.453 3.988 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663469889 1024421170 /nfs/dbraw/zinc/42/11/70/1024421170.db2.gz RLCOGGYOKUZJSJ-XJKSGUPXSA-N 2 0 321.534 3.787 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663469884 1024421680 /nfs/dbraw/zinc/42/16/80/1024421680.db2.gz RLCOGGYOKUZJSJ-CJNGLKHVSA-N 2 0 321.534 3.787 20 0 DHADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1)C1CCCC1 ZINC000883441876 1024435331 /nfs/dbraw/zinc/43/53/31/1024435331.db2.gz ZIWYQTUCACTBLR-NZSAHSFTSA-N 2 0 320.521 3.708 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438873 1024435825 /nfs/dbraw/zinc/43/58/25/1024435825.db2.gz DXZCWSCHHAHTND-GGPKGHCWSA-N 2 0 316.489 3.604 20 0 DHADRP Cc1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000453293134 1024442984 /nfs/dbraw/zinc/44/29/84/1024442984.db2.gz PPOFCIUUBBTKPF-UHFFFAOYSA-N 2 0 323.484 3.923 20 0 DHADRP CC(C)(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000925781069 1024459641 /nfs/dbraw/zinc/45/96/41/1024459641.db2.gz HEEYXKFBYGLNRL-JKSUJKDBSA-N 2 0 310.432 3.998 20 0 DHADRP CCOC[C@@]12CCC[C@@H]1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167823329 1024465430 /nfs/dbraw/zinc/46/54/30/1024465430.db2.gz KQEZKMJBSVDCOF-QRVBRYPASA-N 2 0 310.526 3.636 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000453334360 1024467289 /nfs/dbraw/zinc/46/72/89/1024467289.db2.gz HXIKGOPOAANVIP-ORHYLEIMSA-N 2 0 312.379 3.554 20 0 DHADRP C([C@H]1CCCO1)N1CCC([NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000877032159 1033213474 /nfs/dbraw/zinc/21/34/74/1033213474.db2.gz ZUORPRFVCBMLNU-HXUWFJFHSA-N 2 0 318.505 3.643 20 0 DHADRP C[C@H]1C[C@H]([NH+]2CCC(Cc3cccc(F)c3F)CC2)CCN1C ZINC000453351249 1024476461 /nfs/dbraw/zinc/47/64/61/1024476461.db2.gz IEFZVFISAOLAMM-WMLDXEAASA-N 2 0 322.443 3.702 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001167825151 1024489474 /nfs/dbraw/zinc/48/94/74/1024489474.db2.gz GHLOVKPGYQPZNB-HKUYNNGSSA-N 2 0 304.478 3.650 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C3)cc1 ZINC000453379184 1024496634 /nfs/dbraw/zinc/49/66/34/1024496634.db2.gz WQKAYDKRZOCXJG-WHZJULEDSA-N 2 0 310.485 3.818 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000453398002 1024498204 /nfs/dbraw/zinc/49/82/04/1024498204.db2.gz KFPYTVLSARPBQZ-HXUWFJFHSA-N 2 0 309.457 3.635 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000453405246 1024502223 /nfs/dbraw/zinc/50/22/23/1024502223.db2.gz QESPQYYSZFZJMQ-RTBURBONSA-N 2 0 300.490 3.862 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001167826559 1024502725 /nfs/dbraw/zinc/50/27/25/1024502725.db2.gz QDICASGANVARPP-QUCCMNQESA-N 2 0 318.505 3.788 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C1CC1 ZINC000453408202 1024504408 /nfs/dbraw/zinc/50/44/08/1024504408.db2.gz SNBIMZCYPSVNHJ-CQSZACIVSA-N 2 0 312.379 3.555 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(OC(F)F)c1 ZINC000453410790 1024505931 /nfs/dbraw/zinc/50/59/31/1024505931.db2.gz VFELRHWUVCRHIB-ZDUSSCGKSA-N 2 0 312.404 3.813 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453411378 1024506675 /nfs/dbraw/zinc/50/66/75/1024506675.db2.gz VMTNAZZSWCKJBX-IBGZPJMESA-N 2 0 306.469 3.857 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCCOc2cc(F)ccc21)C1CC1 ZINC000453415053 1024507787 /nfs/dbraw/zinc/50/77/87/1024507787.db2.gz XAAYFHVWHAMFGA-KRWDZBQOSA-N 2 0 306.425 3.503 20 0 DHADRP CC(C)COCC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172462282 1033215995 /nfs/dbraw/zinc/21/59/95/1033215995.db2.gz DKIAOUAIFGGTJH-ROUUACIJSA-N 2 0 306.494 3.535 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CCS2 ZINC000453397611 1024512063 /nfs/dbraw/zinc/51/20/63/1024512063.db2.gz JRQOFRAZQTWQTN-QGZVFWFLSA-N 2 0 320.502 3.696 20 0 DHADRP Cc1ccc([C@@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCCC2)o1 ZINC000663523345 1024516692 /nfs/dbraw/zinc/51/66/92/1024516692.db2.gz IYMQVEACVFMDAD-MRXNPFEDSA-N 2 0 310.401 3.713 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000453593094 1024535533 /nfs/dbraw/zinc/53/55/33/1024535533.db2.gz GFZAJWVVZDHRQD-UHFFFAOYSA-N 2 0 300.368 3.669 20 0 DHADRP COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc2ccccc21 ZINC000453598640 1024538744 /nfs/dbraw/zinc/53/87/44/1024538744.db2.gz PWVHDEIGAUBXNR-UHFFFAOYSA-N 2 0 312.457 3.812 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000271576983 1024542793 /nfs/dbraw/zinc/54/27/93/1024542793.db2.gz ZTFUXMNODCNKHS-IRXDYDNUSA-N 2 0 316.489 3.735 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CCCC[N@@H+](C)C3CC3)s2)o1 ZINC000453590807 1024545148 /nfs/dbraw/zinc/54/51/48/1024545148.db2.gz BLTGBRUHRXPCOH-UHFFFAOYSA-N 2 0 319.474 3.676 20 0 DHADRP CC(C)COCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172467373 1033218676 /nfs/dbraw/zinc/21/86/76/1033218676.db2.gz QQBVBOCWGWHLGM-SFHVURJKSA-N 2 0 322.537 3.778 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453605032 1024549718 /nfs/dbraw/zinc/54/97/18/1024549718.db2.gz ZPMMEGZVHLMPPR-UHFFFAOYSA-N 2 0 310.869 3.703 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC(N(C)Cc3cccc(F)c3)CC2)C1 ZINC001170160412 1024578466 /nfs/dbraw/zinc/57/84/66/1024578466.db2.gz YYTLOLIQRNINSV-BEFAXECRSA-N 2 0 304.453 3.911 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)CCO1 ZINC000648428411 1024603298 /nfs/dbraw/zinc/60/32/98/1024603298.db2.gz MWSNUMOAKWIBEB-RTBURBONSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Cl)sc1Cl ZINC000221996792 1024612238 /nfs/dbraw/zinc/61/22/38/1024612238.db2.gz PBQSGMBHEGKEQS-DTWKUNHWSA-N 2 0 304.246 3.991 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000648436965 1024638703 /nfs/dbraw/zinc/63/87/03/1024638703.db2.gz DISKMXFSVKPDSM-MOPGFXCFSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760161393 1024679072 /nfs/dbraw/zinc/67/90/72/1024679072.db2.gz UFUNURBQVFVBPV-LLVKDONJSA-N 2 0 316.276 3.712 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001170195290 1024696442 /nfs/dbraw/zinc/69/64/42/1024696442.db2.gz SUGGQZOCYVOVQH-UXHICEINSA-N 2 0 300.490 3.915 20 0 DHADRP CSC1(C[NH2+]C2CCN(c3ccccn3)CC2)CCCCC1 ZINC000318388374 1024725839 /nfs/dbraw/zinc/72/58/39/1024725839.db2.gz HDYHBJQFSDOGNH-UHFFFAOYSA-N 2 0 319.518 3.706 20 0 DHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccc2[nH]ccc21 ZINC000663673828 1024766051 /nfs/dbraw/zinc/76/60/51/1024766051.db2.gz MCKWGOKUTIZZSQ-KRWDZBQOSA-N 2 0 320.440 3.521 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)CCCc2cccc(F)c2)CC1 ZINC001207606337 1024774763 /nfs/dbraw/zinc/77/47/63/1024774763.db2.gz JJXXRRDUBVXLNS-UHFFFAOYSA-N 2 0 306.469 3.955 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666229560 1024808561 /nfs/dbraw/zinc/80/85/61/1024808561.db2.gz RHIMAMNGORZPFN-ABFRBSLYSA-N 2 0 308.416 3.530 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666229562 1024809235 /nfs/dbraw/zinc/80/92/35/1024809235.db2.gz RHIMAMNGORZPFN-HDEZJCGLSA-N 2 0 308.416 3.530 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000877113187 1033241020 /nfs/dbraw/zinc/24/10/20/1033241020.db2.gz CRWRFALOJQYCPT-NFOMZHRRSA-N 2 0 319.320 3.813 20 0 DHADRP C[C@H](CC[NH+](C)C)N[C@@H](C)c1cc(Br)cs1 ZINC000226394438 1024880675 /nfs/dbraw/zinc/88/06/75/1024880675.db2.gz DBDBBARMTUWSFZ-ZJUUUORDSA-N 2 0 305.285 3.501 20 0 DHADRP CCc1nc(CN2CCC(C[NH2+]CC3(C)CCC3)CC2)cs1 ZINC000434759344 1024951002 /nfs/dbraw/zinc/95/10/02/1024951002.db2.gz VVNIZGUSVGAZKR-UHFFFAOYSA-N 2 0 321.534 3.697 20 0 DHADRP Cc1cc(C)cc(-c2ccc(C[NH2+]CCn3ccnc3)cc2)c1 ZINC000237652231 1024965057 /nfs/dbraw/zinc/96/50/57/1024965057.db2.gz JWNDGBRUPLEFTP-UHFFFAOYSA-N 2 0 305.425 3.957 20 0 DHADRP CC1(Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CC[NH2+]CC1 ZINC001168188434 1025031264 /nfs/dbraw/zinc/03/12/64/1025031264.db2.gz VZXSDKYPAWSKEO-UHFFFAOYSA-N 2 0 321.468 3.756 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179934 1025038542 /nfs/dbraw/zinc/03/85/42/1025038542.db2.gz ODTNXHCWCVUVFE-PZJWPPBQSA-N 2 0 308.469 3.902 20 0 DHADRP CCC1(C[NH2+][C@@H](C)[C@@H](C)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000539042403 1033251971 /nfs/dbraw/zinc/25/19/71/1033251971.db2.gz GJLRODZSULOADN-ZWKOTPCHSA-N 2 0 318.505 3.692 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000623832923 1025067753 /nfs/dbraw/zinc/06/77/53/1025067753.db2.gz LQTCZCHOACHOPY-XYJFISCASA-N 2 0 304.865 3.934 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000539051692 1033257006 /nfs/dbraw/zinc/25/70/06/1033257006.db2.gz AQZKJAURWMHDMM-HNAYVOBHSA-N 2 0 304.453 3.771 20 0 DHADRP Fc1ccc(C2=CC[C@@H]([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000353542453 1025115778 /nfs/dbraw/zinc/11/57/78/1025115778.db2.gz MEUTWMMOTKFRLN-LJQANCHMSA-N 2 0 302.437 3.837 20 0 DHADRP CC(C)(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000400946664 1025184624 /nfs/dbraw/zinc/18/46/24/1025184624.db2.gz FSYLFBIMTPUWHX-CYGHRXIMSA-N 2 0 304.453 3.891 20 0 DHADRP CC(C)(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000400946661 1025186408 /nfs/dbraw/zinc/18/64/08/1025186408.db2.gz FSYLFBIMTPUWHX-CWLKWCNXSA-N 2 0 304.453 3.891 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000279735080 1025203306 /nfs/dbraw/zinc/20/33/06/1025203306.db2.gz ODICOMVWNHJVCK-PBHICJAKSA-N 2 0 304.478 3.661 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400982048 1025213295 /nfs/dbraw/zinc/21/32/95/1025213295.db2.gz SHTHSOJWBDLJJQ-LEUOFYLZSA-N 2 0 302.462 3.513 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000353746082 1025226203 /nfs/dbraw/zinc/22/62/03/1025226203.db2.gz KTIZPJQOGGXOQD-KSSFIOAISA-N 2 0 300.446 3.903 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843277 1025231223 /nfs/dbraw/zinc/23/12/23/1025231223.db2.gz MNWNTBCXPPKZAV-SUYBPPKGSA-N 2 0 307.507 3.758 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000044517725 1025258036 /nfs/dbraw/zinc/25/80/36/1025258036.db2.gz DGMSAKKERKCZKV-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000353936007 1025300578 /nfs/dbraw/zinc/30/05/78/1025300578.db2.gz YYCZMFLZIJLVSI-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261627935 1025300835 /nfs/dbraw/zinc/30/08/35/1025300835.db2.gz GWKPFYQRJYCFCP-VAMGGRTRSA-N 2 0 323.484 3.678 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353946939 1025302111 /nfs/dbraw/zinc/30/21/11/1025302111.db2.gz KBBDFVKKQMECJJ-KZNAEPCWSA-N 2 0 304.503 3.512 20 0 DHADRP CCC(CC)[C@H](C[NH2+]CCCc1ccc(C)nc1)[NH+]1CCCC1 ZINC000353945135 1025302746 /nfs/dbraw/zinc/30/27/46/1025302746.db2.gz NNCCZNWGGGLCCV-FQEVSTJZSA-N 2 0 317.521 3.813 20 0 DHADRP CC(C)Cc1ncc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354106026 1025352555 /nfs/dbraw/zinc/35/25/55/1025352555.db2.gz GQZRMHYMSCZYTN-INIZCTEOSA-N 2 0 321.534 3.505 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(C)C)[C@@H](C)C1 ZINC000539122266 1033280023 /nfs/dbraw/zinc/28/00/23/1033280023.db2.gz WIYOJLVMNAJDJZ-ZWKOTPCHSA-N 2 0 312.542 3.785 20 0 DHADRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000123723320 1025394174 /nfs/dbraw/zinc/39/41/74/1025394174.db2.gz VHSWCXOULFUHJK-CQSZACIVSA-N 2 0 303.837 3.528 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000123682564 1025395649 /nfs/dbraw/zinc/39/56/49/1025395649.db2.gz HLYFLUGTWVAOSK-KRWDZBQOSA-N 2 0 300.471 3.977 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000885915868 1025403384 /nfs/dbraw/zinc/40/33/84/1025403384.db2.gz HVBPSGMMZYWFCP-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876439 1025407857 /nfs/dbraw/zinc/40/78/57/1025407857.db2.gz XYAFVXKDEAJQFE-INWMFGNUSA-N 2 0 308.853 3.579 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)C[NH+]1CCCCC1 ZINC000885927131 1025408240 /nfs/dbraw/zinc/40/82/40/1025408240.db2.gz NLQLOSVCETWJQC-ROUUACIJSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2cccc(Br)c21 ZINC000925876419 1025408868 /nfs/dbraw/zinc/40/88/68/1025408868.db2.gz XNGWQPBUDWDNDM-OZTPJHRESA-N 2 0 323.278 3.714 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000124214679 1025418449 /nfs/dbraw/zinc/41/84/49/1025418449.db2.gz BRUOYYRSOIDVSS-IRXDYDNUSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885969536 1025424440 /nfs/dbraw/zinc/42/44/40/1025424440.db2.gz VRCVJSFTQBZZRC-MSOLQXFVSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660661719 1025424924 /nfs/dbraw/zinc/42/49/24/1025424924.db2.gz FPEQDFXLBNVANC-VQTJNVASSA-N 2 0 316.489 3.570 20 0 DHADRP C[N@@H+](Cc1ccc2cccc(Cl)c2n1)CC1CC[NH+](C)CC1 ZINC001137224302 1025451954 /nfs/dbraw/zinc/45/19/54/1025451954.db2.gz CIECYKOLUYXBGA-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP C[C@@H](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCC1 ZINC000886062485 1025460710 /nfs/dbraw/zinc/46/07/10/1025460710.db2.gz PXTNUKVLXLARLN-ZWKOTPCHSA-N 2 0 308.510 3.722 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125780165 1025490533 /nfs/dbraw/zinc/49/05/33/1025490533.db2.gz MPZOIPNHJVZVMO-HKUYNNGSSA-N 2 0 316.489 3.919 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000125740176 1025492248 /nfs/dbraw/zinc/49/22/48/1025492248.db2.gz NKZSGUDNBOEKCI-ZFWWWQNUSA-N 2 0 309.523 3.785 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCCO2 ZINC000125861199 1025494579 /nfs/dbraw/zinc/49/45/79/1025494579.db2.gz BGFCXFDOANIQSU-PKOBYXMFSA-N 2 0 316.489 3.919 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(OC)cc1 ZINC000125827742 1025494841 /nfs/dbraw/zinc/49/48/41/1025494841.db2.gz VTPCHBFBEFTRGS-VQIMIIECSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172577820 1033290368 /nfs/dbraw/zinc/29/03/68/1033290368.db2.gz WKYKHGITXIIZRA-WCFLWFBJSA-N 2 0 316.823 3.799 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200465 1033294039 /nfs/dbraw/zinc/29/40/39/1033294039.db2.gz LJTHLOUDBDQLAI-BEFAXECRSA-N 2 0 304.453 3.988 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C(F)F)CC1 ZINC000355137182 1025611988 /nfs/dbraw/zinc/61/19/88/1025611988.db2.gz UBGFZQJDDRHKIP-UHFFFAOYSA-N 2 0 310.432 3.780 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000886515641 1025668919 /nfs/dbraw/zinc/66/89/19/1025668919.db2.gz UPOCSNNSGGFNPW-LJQANCHMSA-N 2 0 309.457 3.699 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)CC[N@@H+]1C ZINC000886533091 1025680892 /nfs/dbraw/zinc/68/08/92/1025680892.db2.gz USYQNDIPOITKNB-IAISJRAMSA-N 2 0 315.436 3.757 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886544001 1025690435 /nfs/dbraw/zinc/69/04/35/1025690435.db2.gz ZPBYBXVKCLMWBH-LRYGQEGESA-N 2 0 301.478 3.838 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000886561649 1025705945 /nfs/dbraw/zinc/70/59/45/1025705945.db2.gz DSGBJHZTGGTZOE-SFHVURJKSA-N 2 0 313.420 3.536 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000886561648 1025707574 /nfs/dbraw/zinc/70/75/74/1025707574.db2.gz DSGBJHZTGGTZOE-GOSISDBHSA-N 2 0 313.420 3.536 20 0 DHADRP COCC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccco1 ZINC000886587891 1025722646 /nfs/dbraw/zinc/72/26/46/1025722646.db2.gz HWSTWBCHEUBUSD-TVRKMHQQSA-N 2 0 320.477 3.744 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886587546 1025722964 /nfs/dbraw/zinc/72/29/64/1025722964.db2.gz AXEYEAKZOMECHJ-SMVLHYPJSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cccnc1CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886618437 1025744706 /nfs/dbraw/zinc/74/47/06/1025744706.db2.gz ALPKZPKFTSPUIO-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP Cc1ccnc(N)c1CNc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000894100934 1025770837 /nfs/dbraw/zinc/77/08/37/1025770837.db2.gz HDRPUVNSTLESHI-HNNXBMFYSA-N 2 0 324.472 3.816 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806131762 1025774612 /nfs/dbraw/zinc/77/46/12/1025774612.db2.gz MRYKEZUGHRHOPX-ZBFHGGJFSA-N 2 0 321.896 3.824 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806131717 1025776628 /nfs/dbraw/zinc/77/66/28/1025776628.db2.gz MHQYEPJKCPHQSR-GDBMZVCRSA-N 2 0 321.896 3.967 20 0 DHADRP Cc1csc(C[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000886696057 1025806310 /nfs/dbraw/zinc/80/63/10/1025806310.db2.gz FSEOECHSSPDBJL-SJORKVTESA-N 2 0 321.534 3.580 20 0 DHADRP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134942067 1025824343 /nfs/dbraw/zinc/82/43/43/1025824343.db2.gz HEALEJZYYKXYHG-YLJYHZDGSA-N 2 0 314.473 3.534 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC1 ZINC000886774138 1025894022 /nfs/dbraw/zinc/89/40/22/1025894022.db2.gz ILBVHZKVTNXGKH-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP CCCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(OC)cc1 ZINC000647784181 1025927430 /nfs/dbraw/zinc/92/74/30/1025927430.db2.gz LNLAWPVDPGSJTF-GNBUJSLZSA-N 2 0 316.489 3.904 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000237537021 1026015419 /nfs/dbraw/zinc/01/54/19/1026015419.db2.gz JPCVDFSTNMTBHG-PDOICOKGSA-N 2 0 316.489 3.574 20 0 DHADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290158823 1026122702 /nfs/dbraw/zinc/12/27/02/1026122702.db2.gz LUCCKZRXQPQIGT-QUCCMNQESA-N 2 0 318.505 3.693 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000093770460 1026129023 /nfs/dbraw/zinc/12/90/23/1026129023.db2.gz RXCVBEDITBLVIM-GOSISDBHSA-N 2 0 309.457 3.522 20 0 DHADRP CCOCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245706173 1026142352 /nfs/dbraw/zinc/14/23/52/1026142352.db2.gz MLURAAPQHYFORM-OWZKRDHZSA-N 2 0 316.489 3.588 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000289809720 1026183949 /nfs/dbraw/zinc/18/39/49/1026183949.db2.gz PIEDVQNEQXMNRY-HZPDHXFCSA-N 2 0 320.477 3.564 20 0 DHADRP CS[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245745618 1026192324 /nfs/dbraw/zinc/19/23/24/1026192324.db2.gz SLILWPAHBWRURR-NRSFXHEJSA-N 2 0 304.503 3.523 20 0 DHADRP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647793614 1026279550 /nfs/dbraw/zinc/27/95/50/1026279550.db2.gz BVXYZQNPHVATCF-XWPNQZOQSA-N 2 0 300.490 3.719 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000357023309 1026281699 /nfs/dbraw/zinc/28/16/99/1026281699.db2.gz VUHLGCOXXDBZCE-QZTJIDSGSA-N 2 0 310.526 3.636 20 0 DHADRP Cc1cccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000357028382 1026282602 /nfs/dbraw/zinc/28/26/02/1026282602.db2.gz UXPDYEULRQBLOZ-UHFFFAOYSA-N 2 0 324.472 3.524 20 0 DHADRP Cc1ncoc1CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000894179389 1026328664 /nfs/dbraw/zinc/32/86/64/1026328664.db2.gz RJFMAOAQXODATG-HNNXBMFYSA-N 2 0 313.445 3.647 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccsc1Br ZINC000388740146 1026481195 /nfs/dbraw/zinc/48/11/95/1026481195.db2.gz JEGVRJAIULNYPL-UHFFFAOYSA-N 2 0 319.312 3.721 20 0 DHADRP COc1ccccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513430543 1026502626 /nfs/dbraw/zinc/50/26/26/1026502626.db2.gz VBDMZNYERSGEQQ-SFHVURJKSA-N 2 0 316.489 3.783 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000513544656 1026538291 /nfs/dbraw/zinc/53/82/91/1026538291.db2.gz KUKLODFHEIUWMK-XOVFHRFOSA-N 2 0 324.896 3.690 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000513667005 1026554755 /nfs/dbraw/zinc/55/47/55/1026554755.db2.gz PBOKMEKKEKJUKM-SLFFLAALSA-N 2 0 324.468 3.681 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000513677915 1026556673 /nfs/dbraw/zinc/55/66/73/1026556673.db2.gz DWOVHQVNRHMSDC-OKZBNKHCSA-N 2 0 304.503 3.631 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000513679603 1026557332 /nfs/dbraw/zinc/55/73/32/1026557332.db2.gz YGQQPNCVAWQQGJ-HKBOAZHASA-N 2 0 308.469 3.845 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000513662763 1026559143 /nfs/dbraw/zinc/55/91/43/1026559143.db2.gz ZOESTRKHEWQXBN-RYQLBKOJSA-N 2 0 322.493 3.521 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000809738967 1026611156 /nfs/dbraw/zinc/61/11/56/1026611156.db2.gz RHRUPZYHVGTMEZ-RTWAWAEBSA-N 2 0 308.469 3.984 20 0 DHADRP c1cncc([C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CCC2)c1 ZINC000280428133 1026652554 /nfs/dbraw/zinc/65/25/54/1026652554.db2.gz BSQYSZIIHSHGCN-FQEVSTJZSA-N 2 0 313.489 3.919 20 0 DHADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647886114 1026679303 /nfs/dbraw/zinc/67/93/03/1026679303.db2.gz UJZVTUCPPVPYNP-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)ccc1OC ZINC000810257214 1026731007 /nfs/dbraw/zinc/73/10/07/1026731007.db2.gz NHJAWQJXLKSFFJ-OWCLPIDISA-N 2 0 322.493 3.611 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)ccc1OC ZINC000810257212 1026731846 /nfs/dbraw/zinc/73/18/46/1026731846.db2.gz NHJAWQJXLKSFFJ-BZUAXINKSA-N 2 0 322.493 3.611 20 0 DHADRP C[C@@H]1C[C@]1([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000419722056 1026759983 /nfs/dbraw/zinc/75/99/83/1026759983.db2.gz DBOZAPWYJXXTJJ-XFKAJCMBSA-N 2 0 304.865 3.792 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000420300467 1026797025 /nfs/dbraw/zinc/79/70/25/1026797025.db2.gz HNAFAQXXPDSDIF-NVXWUHKLSA-N 2 0 316.470 3.636 20 0 DHADRP CSc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420307705 1026800650 /nfs/dbraw/zinc/80/06/50/1026800650.db2.gz CCPTZLFICXKDPE-MSOLQXFVSA-N 2 0 312.482 3.583 20 0 DHADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000420315437 1026801101 /nfs/dbraw/zinc/80/11/01/1026801101.db2.gz MGIAAFUTBHIWFF-JRGCBEDISA-N 2 0 324.443 3.877 20 0 DHADRP Fc1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)c(F)c1 ZINC000420327317 1026806884 /nfs/dbraw/zinc/80/68/84/1026806884.db2.gz YGNZCKXLTVQUTN-CQSZACIVSA-N 2 0 308.416 3.709 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000420403553 1026814098 /nfs/dbraw/zinc/81/40/98/1026814098.db2.gz LDFXSHIWELILPT-GFCCVEGCSA-N 2 0 316.367 3.626 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000421370081 1026967631 /nfs/dbraw/zinc/96/76/31/1026967631.db2.gz IROBVNAMNZLISK-UHFFFAOYSA-N 2 0 301.261 3.956 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000421371143 1026967647 /nfs/dbraw/zinc/96/76/47/1026967647.db2.gz KDDMKHUGGKUJNR-NBDWZHNGSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000421833718 1027062999 /nfs/dbraw/zinc/06/29/99/1027062999.db2.gz AYDDPWWNUYWZQR-ZDUSSCGKSA-N 2 0 312.860 3.732 20 0 DHADRP COc1ccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421874119 1027076253 /nfs/dbraw/zinc/07/62/53/1027076253.db2.gz IJBHVNLZJAZVFM-JFIBYHEFSA-N 2 0 322.468 3.994 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1cccc(Cl)c1 ZINC000561982345 1027159206 /nfs/dbraw/zinc/15/92/06/1027159206.db2.gz MNCHLBZWUNTZKZ-KYJSFNMBSA-N 2 0 306.881 3.860 20 0 DHADRP Cc1cnccc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000295275404 1027171017 /nfs/dbraw/zinc/17/10/17/1027171017.db2.gz VYMZOCSUFBMKJP-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP COc1ccc(F)c(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000572307019 1027191130 /nfs/dbraw/zinc/19/11/30/1027191130.db2.gz ZISBJGWWMBAFSN-HOTGVXAUSA-N 2 0 322.468 3.682 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663431 1027191281 /nfs/dbraw/zinc/19/12/81/1027191281.db2.gz BCLIEKLAFINXDV-WMLDXEAASA-N 2 0 322.443 3.676 20 0 DHADRP Clc1ccc(C2([NH2+]CCCn3ccnc3)CC2)cc1Cl ZINC000271995888 1027196253 /nfs/dbraw/zinc/19/62/53/1027196253.db2.gz QTXVWWOWIHFEJA-UHFFFAOYSA-N 2 0 310.228 3.859 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000572355563 1027198079 /nfs/dbraw/zinc/19/80/79/1027198079.db2.gz DEPJFWXVNSOSKK-QFBILLFUSA-N 2 0 318.505 3.558 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000362448652 1027210764 /nfs/dbraw/zinc/21/07/64/1027210764.db2.gz JBNCNBHQUFWUQW-KRWDZBQOSA-N 2 0 308.510 3.721 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000572678328 1027220013 /nfs/dbraw/zinc/22/00/13/1027220013.db2.gz NMQDBLXANUPLHV-HKUYNNGSSA-N 2 0 318.505 3.549 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccccc2Cl)CC[NH+](C)CC1 ZINC000562102962 1027234931 /nfs/dbraw/zinc/23/49/31/1027234931.db2.gz JPHQZOXOYXTCGN-ZDUSSCGKSA-N 2 0 312.910 3.818 20 0 DHADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000562102941 1027237110 /nfs/dbraw/zinc/23/71/10/1027237110.db2.gz ISZZHQCNAMUIFD-MSOLQXFVSA-N 2 0 318.530 3.740 20 0 DHADRP C[C@@H]1C[C@@H](C)N(Cc2nc(-c3ccccc3)cs2)C[C@@H]1C[NH3+] ZINC000422565171 1027284870 /nfs/dbraw/zinc/28/48/70/1027284870.db2.gz XWYRCMYMPVJURH-FMKPAKJESA-N 2 0 315.486 3.615 20 0 DHADRP C[C@@H]1C[C@@H](C)N(Cc2nc(-c3ccccc3)cs2)C[C@H]1C[NH3+] ZINC000422565172 1027285859 /nfs/dbraw/zinc/28/58/59/1027285859.db2.gz XWYRCMYMPVJURH-IIAWOOMASA-N 2 0 315.486 3.615 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170677243 1027286469 /nfs/dbraw/zinc/28/64/69/1027286469.db2.gz NQIFHPXQFAMVPG-QGZVFWFLSA-N 2 0 322.443 3.534 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(-c3ccsc3)s2)C[C@@H]1C[NH3+] ZINC000422561110 1027286432 /nfs/dbraw/zinc/28/64/32/1027286432.db2.gz JBHMJSPUBHCZKQ-DYEKYZERSA-N 2 0 321.515 3.677 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924955585 1027289791 /nfs/dbraw/zinc/28/97/91/1027289791.db2.gz PDGRUWNORSZHNC-QUCCMNQESA-N 2 0 315.505 3.504 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000422728793 1027300240 /nfs/dbraw/zinc/30/02/40/1027300240.db2.gz ARXLEFLPAMUAGM-PKOBYXMFSA-N 2 0 315.505 3.556 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C)C1 ZINC000422730650 1027300347 /nfs/dbraw/zinc/30/03/47/1027300347.db2.gz MMQWVCAPTFMUBP-CTALVQFKSA-N 2 0 314.473 3.657 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1OC1CCCC1 ZINC000422719289 1027304250 /nfs/dbraw/zinc/30/42/50/1027304250.db2.gz YIYXHXIRUGTCBY-HNNXBMFYSA-N 2 0 320.477 3.624 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1OC1CCCC1 ZINC000422719290 1027304562 /nfs/dbraw/zinc/30/45/62/1027304562.db2.gz YIYXHXIRUGTCBY-OAHLLOKOSA-N 2 0 320.477 3.624 20 0 DHADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422723242 1027305827 /nfs/dbraw/zinc/30/58/27/1027305827.db2.gz QOLSCBLYTUAPFS-FCEWJHQRSA-N 2 0 304.478 3.525 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422725977 1027306933 /nfs/dbraw/zinc/30/69/33/1027306933.db2.gz CWUZJVYGCRMMTQ-IAQYHMDHSA-N 2 0 301.261 3.514 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000422739925 1027309703 /nfs/dbraw/zinc/30/97/03/1027309703.db2.gz ASRRMVQYGRZNRM-PWSUYJOCSA-N 2 0 305.372 3.539 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422754772 1027312769 /nfs/dbraw/zinc/31/27/69/1027312769.db2.gz GDRRSVIUWBEYCK-KZNAEPCWSA-N 2 0 304.453 3.614 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422778707 1027317669 /nfs/dbraw/zinc/31/76/69/1027317669.db2.gz IATIHTXTLGFIFN-GFCCVEGCSA-N 2 0 319.276 3.869 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775260 1027317815 /nfs/dbraw/zinc/31/78/15/1027317815.db2.gz AWOCTEVTKJCNFH-UAGQMJEPSA-N 2 0 321.896 3.558 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000422777804 1027318292 /nfs/dbraw/zinc/31/82/92/1027318292.db2.gz GSZVVHZKZQVHIY-ABSDTBQOSA-N 2 0 312.457 3.660 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779380 1027318766 /nfs/dbraw/zinc/31/87/66/1027318766.db2.gz IKPKDDNRGXQPCK-QRVBRYPASA-N 2 0 311.473 3.529 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422795213 1027323960 /nfs/dbraw/zinc/32/39/60/1027323960.db2.gz ZZKUESCOHIWFKO-YNVMFWSZSA-N 2 0 314.473 3.801 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422802486 1027326272 /nfs/dbraw/zinc/32/62/72/1027326272.db2.gz DHTYAPMQESWWBV-MLFFRYNPSA-N 2 0 316.489 3.570 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000422805587 1027328769 /nfs/dbraw/zinc/32/87/69/1027328769.db2.gz MELGZTDGPRBYAN-BZUNDVKYSA-N 2 0 300.368 3.874 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422811997 1027332084 /nfs/dbraw/zinc/33/20/84/1027332084.db2.gz VRUXOCJSIQLAPF-ZRNYENFQSA-N 2 0 316.489 3.712 20 0 DHADRP Fc1cccc(C[C@H]([NH2+]C2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000422825562 1027334200 /nfs/dbraw/zinc/33/42/00/1027334200.db2.gz JRTRPAUTRFNBHT-IBGZPJMESA-N 2 0 316.395 3.590 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCOc2ccc(F)cc2)c2ccccc21 ZINC000422829757 1027335049 /nfs/dbraw/zinc/33/50/49/1027335049.db2.gz HXJVHLOAZWAYPX-MOPGFXCFSA-N 2 0 314.404 3.719 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422863313 1027342171 /nfs/dbraw/zinc/34/21/71/1027342171.db2.gz OOFACWVSVQUTGT-LEWJYISDSA-N 2 0 323.484 3.761 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(C(F)(F)F)c1 ZINC000422898217 1027352852 /nfs/dbraw/zinc/35/28/52/1027352852.db2.gz DQVBZKGBJCXQJV-GFCCVEGCSA-N 2 0 318.383 3.710 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422875392 1027354025 /nfs/dbraw/zinc/35/40/25/1027354025.db2.gz CGRBFLBCECVFQC-YJBOKZPZSA-N 2 0 304.453 3.615 20 0 DHADRP Fc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000422874341 1027354612 /nfs/dbraw/zinc/35/46/12/1027354612.db2.gz NKSXURNRLIJGEO-IEBWDACRSA-N 2 0 302.437 3.930 20 0 DHADRP Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422902131 1027355186 /nfs/dbraw/zinc/35/51/86/1027355186.db2.gz TUGXUNZFVCZXHX-VAMGGRTRSA-N 2 0 316.489 3.664 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422912224 1027357413 /nfs/dbraw/zinc/35/74/13/1027357413.db2.gz MSHSAHWSLQTFSJ-AWEZNQCLSA-N 2 0 309.523 3.840 20 0 DHADRP CC(C)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422905449 1027358394 /nfs/dbraw/zinc/35/83/94/1027358394.db2.gz SCRFGNOTPGNIKZ-XHDPSFHLSA-N 2 0 300.368 3.600 20 0 DHADRP Fc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422905723 1027358725 /nfs/dbraw/zinc/35/87/25/1027358725.db2.gz IVOYXUQABYWTEX-GUDVDZBRSA-N 2 0 304.453 3.659 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422893809 1027360504 /nfs/dbraw/zinc/36/05/04/1027360504.db2.gz ATQFIYKDQZEQDM-AWEZNQCLSA-N 2 0 317.408 3.620 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H](C)CCCC[NH3+])cc2)cc1 ZINC000422916727 1027361546 /nfs/dbraw/zinc/36/15/46/1027361546.db2.gz DWZYDTUZTKGOJC-MRXNPFEDSA-N 2 0 312.457 3.969 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000422922254 1027361808 /nfs/dbraw/zinc/36/18/08/1027361808.db2.gz SIPSWSXQTHQWQV-RDCBPCMLSA-N 2 0 308.425 3.674 20 0 DHADRP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(Cl)c1 ZINC000422892580 1027363451 /nfs/dbraw/zinc/36/34/51/1027363451.db2.gz YTEABMDAJXKDJW-ROUUACIJSA-N 2 0 316.832 3.626 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422930915 1027366162 /nfs/dbraw/zinc/36/61/62/1027366162.db2.gz ABEWUSPHUGLYAT-IRXDYDNUSA-N 2 0 310.869 3.749 20 0 DHADRP Cc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422965727 1027372876 /nfs/dbraw/zinc/37/28/76/1027372876.db2.gz LVPODBPFBPFTLB-TYCQWZJGSA-N 2 0 324.468 3.504 20 0 DHADRP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917675 1027373795 /nfs/dbraw/zinc/37/37/95/1027373795.db2.gz FLWXJSKNTIUJND-STQMWFEESA-N 2 0 318.383 3.580 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)ccc1OCCC(C)C ZINC000422945716 1027375668 /nfs/dbraw/zinc/37/56/68/1027375668.db2.gz NOBILCCYJYVEKY-OAHLLOKOSA-N 2 0 320.477 3.523 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccccc2)cc1 ZINC000422945764 1027376487 /nfs/dbraw/zinc/37/64/87/1027376487.db2.gz NUENUHGCKLPWRC-TWOQFEAHSA-N 2 0 312.457 3.890 20 0 DHADRP CSCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000574240781 1027376666 /nfs/dbraw/zinc/37/66/66/1027376666.db2.gz STOPDOXTFGBCPX-HNNXBMFYSA-N 2 0 312.548 3.563 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2ccccc2c1 ZINC000422948511 1027379152 /nfs/dbraw/zinc/37/91/52/1027379152.db2.gz SCGNHGFHXBXMEI-HTAPYJJXSA-N 2 0 318.464 3.930 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccccc1C(C)(C)[NH3+] ZINC001170685887 1027381697 /nfs/dbraw/zinc/38/16/97/1027381697.db2.gz JFQJWWPFALGJID-AWEZNQCLSA-N 2 0 320.440 3.753 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423018240 1027391040 /nfs/dbraw/zinc/39/10/40/1027391040.db2.gz QMAVOIABMMFODS-QVKFZJNVSA-N 2 0 323.484 3.794 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006591 1027391587 /nfs/dbraw/zinc/39/15/87/1027391587.db2.gz VZAITAHFTWIFRE-RTBURBONSA-N 2 0 314.404 3.630 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000423021329 1027394048 /nfs/dbraw/zinc/39/40/48/1027394048.db2.gz DYUVMFHERRRBAS-HZUKXOBISA-N 2 0 312.379 3.539 20 0 DHADRP C[C@H]1C[C@H](C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[NH2+]1 ZINC000574501437 1027399553 /nfs/dbraw/zinc/39/95/53/1027399553.db2.gz IDDVXQBYRYOCIT-UONOGXRCSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423041541 1027400250 /nfs/dbraw/zinc/40/02/50/1027400250.db2.gz JJMOKCFFMXUTNH-QWHCGFSZSA-N 2 0 302.384 3.744 20 0 DHADRP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000423060292 1027403856 /nfs/dbraw/zinc/40/38/56/1027403856.db2.gz OBULKWRDZYGJGQ-KQLYMOGASA-N 2 0 323.484 3.721 20 0 DHADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000423060595 1027405014 /nfs/dbraw/zinc/40/50/14/1027405014.db2.gz IOJILOHQYQZIRI-CEXWTWQISA-N 2 0 322.537 3.874 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423072860 1027407444 /nfs/dbraw/zinc/40/74/44/1027407444.db2.gz QEMQYCXIYNQHFJ-RYUDHWBXSA-N 2 0 302.384 3.698 20 0 DHADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423092134 1027414576 /nfs/dbraw/zinc/41/45/76/1027414576.db2.gz ARRDMUDZFPJTAI-IBMXSDLOSA-N 2 0 316.464 3.972 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096948 1027415597 /nfs/dbraw/zinc/41/55/97/1027415597.db2.gz QCPGJTGYJNLFCZ-ZCHDIUTGSA-N 2 0 310.844 3.774 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000423120975 1027420733 /nfs/dbraw/zinc/42/07/33/1027420733.db2.gz AEKPYNATMSXKQU-RACLHMPKSA-N 2 0 316.464 3.972 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423128338 1027420779 /nfs/dbraw/zinc/42/07/79/1027420779.db2.gz VRYBLYAREPLQCN-NBYUQASBSA-N 2 0 316.489 3.807 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423128566 1027421082 /nfs/dbraw/zinc/42/10/82/1027421082.db2.gz LBEKXDSZNNZFBH-BHYGNILZSA-N 2 0 310.432 3.750 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423126635 1027421445 /nfs/dbraw/zinc/42/14/45/1027421445.db2.gz SBFMFYDZNNZIBY-GUXCAODWSA-N 2 0 312.457 3.694 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000423129312 1027421729 /nfs/dbraw/zinc/42/17/29/1027421729.db2.gz QZOFZPMDFZQGCW-JLSDUUJJSA-N 2 0 324.896 3.664 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423129116 1027421772 /nfs/dbraw/zinc/42/17/72/1027421772.db2.gz DQWOGFGVBVWAIO-UKRRQHHQSA-N 2 0 302.384 3.830 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423128095 1027422462 /nfs/dbraw/zinc/42/24/62/1027422462.db2.gz VBORYCLYGXKZTF-JXFKEZNVSA-N 2 0 312.457 3.696 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423126925 1027422613 /nfs/dbraw/zinc/42/26/13/1027422613.db2.gz BGAUTQCLPNENBS-BZUAXINKSA-N 2 0 314.395 3.972 20 0 DHADRP CC(C)(C)C1CC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423130537 1027424740 /nfs/dbraw/zinc/42/47/40/1027424740.db2.gz GSGHQOKDMBMGHQ-OVSDUUTQSA-N 2 0 314.473 3.657 20 0 DHADRP CC(C)(C)C1CC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423130538 1027425358 /nfs/dbraw/zinc/42/53/58/1027425358.db2.gz GSGHQOKDMBMGHQ-RLFPARDHSA-N 2 0 314.473 3.657 20 0 DHADRP c1cc2c(cccc2CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[nH]1 ZINC000423109144 1027426020 /nfs/dbraw/zinc/42/60/20/1027426020.db2.gz HBARCCYWKBVDJF-DFQSSKMNSA-N 2 0 311.473 3.611 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423150627 1027432220 /nfs/dbraw/zinc/43/22/20/1027432220.db2.gz BMUSHRMEJLFITA-MSNYOWOLSA-N 2 0 323.278 3.712 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423142446 1027434766 /nfs/dbraw/zinc/43/47/66/1027434766.db2.gz VFRJOIPIZPMWTR-SJORKVTESA-N 2 0 303.494 3.568 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423142444 1027435079 /nfs/dbraw/zinc/43/50/79/1027435079.db2.gz VFRJOIPIZPMWTR-IAGOWNOFSA-N 2 0 303.494 3.568 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423168302 1027436908 /nfs/dbraw/zinc/43/69/08/1027436908.db2.gz UFWYGQAJGVNWIK-ALKREAHSSA-N 2 0 302.462 3.657 20 0 DHADRP CC[C@@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423173109 1027437980 /nfs/dbraw/zinc/43/79/80/1027437980.db2.gz WXZUPYLHUTXEHU-SVFBPWRDSA-N 2 0 322.452 3.983 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423173648 1027438546 /nfs/dbraw/zinc/43/85/46/1027438546.db2.gz ZNNVVWSQTQERRH-NZSAHSFTSA-N 2 0 315.505 3.780 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000423211926 1027449226 /nfs/dbraw/zinc/44/92/26/1027449226.db2.gz HWFLJELJZSJBGF-RDBSUJKOSA-N 2 0 312.404 3.635 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423240604 1027458638 /nfs/dbraw/zinc/45/86/38/1027458638.db2.gz KSPXCLIHZDCONF-MLGOLLRUSA-N 2 0 306.356 3.639 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423220065 1027461986 /nfs/dbraw/zinc/46/19/86/1027461986.db2.gz XVKNVLYUKJFIIO-PABLAQFASA-N 2 0 316.489 3.552 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423224235 1027464928 /nfs/dbraw/zinc/46/49/28/1027464928.db2.gz IQKJGZZKKDCQHN-GUYCJALGSA-N 2 0 320.383 3.704 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000423229687 1027465451 /nfs/dbraw/zinc/46/54/51/1027465451.db2.gz HQPBJLMPRYATKT-UWTIGNOOSA-N 2 0 314.395 3.886 20 0 DHADRP c1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)C2CC2)nc1 ZINC000932379855 1027471304 /nfs/dbraw/zinc/47/13/04/1027471304.db2.gz SPOBWMJFZKEEAB-LJQANCHMSA-N 2 0 301.478 3.779 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423253100 1027475077 /nfs/dbraw/zinc/47/50/77/1027475077.db2.gz VCNZGNMRNCBITC-APWZRJJASA-N 2 0 304.478 3.762 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423250466 1027475087 /nfs/dbraw/zinc/47/50/87/1027475087.db2.gz QHLSIQAZMPAPJO-DNVCBOLYSA-N 2 0 302.462 3.516 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423282223 1027481807 /nfs/dbraw/zinc/48/18/07/1027481807.db2.gz CLQWXHSMWQJTHT-DOTOQJQBSA-N 2 0 322.468 3.968 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423282800 1027483821 /nfs/dbraw/zinc/48/38/21/1027483821.db2.gz WHZJGBSEXXDQIJ-ARFHVFGLSA-N 2 0 314.395 3.914 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423287142 1027483862 /nfs/dbraw/zinc/48/38/62/1027483862.db2.gz KMWSCBHLDCJLFM-JSGCOSHPSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000423291184 1027485446 /nfs/dbraw/zinc/48/54/46/1027485446.db2.gz HECBZNWWEKDMQT-FZKQIMNGSA-N 2 0 314.404 3.849 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)cc1 ZINC000423290904 1027486451 /nfs/dbraw/zinc/48/64/51/1027486451.db2.gz FWSXDBQWXSTTTB-MNOVXSKESA-N 2 0 308.347 3.974 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423291311 1027487401 /nfs/dbraw/zinc/48/74/01/1027487401.db2.gz HUJHVERJNMDHOH-SJORKVTESA-N 2 0 324.896 3.537 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423267884 1027490487 /nfs/dbraw/zinc/49/04/87/1027490487.db2.gz FMGAKHZPAGQLFY-KGLIPLIRSA-N 2 0 317.502 3.548 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423273322 1027490968 /nfs/dbraw/zinc/49/09/68/1027490968.db2.gz KXTAOGADPASEHL-RFQIPJPRSA-N 2 0 312.910 3.873 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423278743 1027494204 /nfs/dbraw/zinc/49/42/04/1027494204.db2.gz QMZMNUQOPBHOKX-CWRNSKLLSA-N 2 0 315.486 3.978 20 0 DHADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423312082 1027496071 /nfs/dbraw/zinc/49/60/71/1027496071.db2.gz CSSJCLVLSIKIEW-ARFHVFGLSA-N 2 0 312.379 3.668 20 0 DHADRP FC(F)(F)c1cccc(C2CCC([NH2+]CC3C[NH2+]C3)CC2)c1 ZINC000423313553 1027497551 /nfs/dbraw/zinc/49/75/51/1027497551.db2.gz FUZZOCYGRUTFQA-UHFFFAOYSA-N 2 0 312.379 3.541 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423294569 1027500953 /nfs/dbraw/zinc/50/09/53/1027500953.db2.gz UVZRKXSJJQMKJL-ZIAGYGMSSA-N 2 0 311.429 3.516 20 0 DHADRP CC1(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC[NH2+]CC1 ZINC000423328929 1027510739 /nfs/dbraw/zinc/51/07/39/1027510739.db2.gz MLLWRZFJFCWPSR-QGZVFWFLSA-N 2 0 306.881 3.640 20 0 DHADRP Cc1ccc(C)c([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)c1 ZINC000423343647 1027516377 /nfs/dbraw/zinc/51/63/77/1027516377.db2.gz MDGFFUNATPJYPG-OAQYLSRUSA-N 2 0 306.453 3.902 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OCc2ccccc2)cc1 ZINC000423362530 1027519541 /nfs/dbraw/zinc/51/95/41/1027519541.db2.gz BDSXHPRTOQLNJN-LLGFUMIMSA-N 2 0 324.468 3.914 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(F)c(F)c(F)c1 ZINC000423366859 1027524127 /nfs/dbraw/zinc/52/41/27/1027524127.db2.gz CIUQAKPRPWOLAW-SNVBAGLBSA-N 2 0 306.331 3.558 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423366115 1027524190 /nfs/dbraw/zinc/52/41/90/1027524190.db2.gz BNGICSWGNMCNLL-CQSZACIVSA-N 2 0 312.482 3.733 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423369379 1027524538 /nfs/dbraw/zinc/52/45/38/1027524538.db2.gz BVURZJLYQJCOHD-IOASZLSFSA-N 2 0 314.395 3.757 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423365451 1027524808 /nfs/dbraw/zinc/52/48/08/1027524808.db2.gz BUDOOVHMWXKHDZ-FPFYIXPZSA-N 2 0 316.489 3.693 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423377151 1027527518 /nfs/dbraw/zinc/52/75/18/1027527518.db2.gz DZKOUNXSYHZHJT-LSDHHAIUSA-N 2 0 301.478 3.812 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)c2ccccc2)c1 ZINC000423378696 1027527863 /nfs/dbraw/zinc/52/78/63/1027527863.db2.gz MPWZDWXUZDSMPP-LRQRDZAKSA-N 2 0 324.468 3.709 20 0 DHADRP CCCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423382008 1027528423 /nfs/dbraw/zinc/52/84/23/1027528423.db2.gz DDYYATFTSNIRHI-TXPKVOOTSA-N 2 0 304.478 3.904 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423382670 1027528753 /nfs/dbraw/zinc/52/87/53/1027528753.db2.gz DSZOKBNHGGMSES-JQHSSLGASA-N 2 0 314.498 3.928 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[NH2+]1 ZINC000423381763 1027528891 /nfs/dbraw/zinc/52/88/91/1027528891.db2.gz ONOGVCBQXMDJEN-LYRGGWFBSA-N 2 0 312.379 3.887 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423382106 1027528915 /nfs/dbraw/zinc/52/89/15/1027528915.db2.gz DFYXTXBHYWDBAS-HDMKZQKVSA-N 2 0 313.489 3.812 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCC[C@@H]([NH3+])C3)oc21 ZINC000423374972 1027533584 /nfs/dbraw/zinc/53/35/84/1027533584.db2.gz ILTLSGIECQVHCP-CFVMTHIKSA-N 2 0 302.418 3.752 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423375231 1027534901 /nfs/dbraw/zinc/53/49/01/1027534901.db2.gz DAGVGYOPQOXKNC-IVMMDQJWSA-N 2 0 314.395 3.929 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423393099 1027535581 /nfs/dbraw/zinc/53/55/81/1027535581.db2.gz QJIUYGRVFWZHLJ-UAGQMJEPSA-N 2 0 320.477 3.795 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000423425471 1027536555 /nfs/dbraw/zinc/53/65/55/1027536555.db2.gz GUEILLHRDRLXGB-UGSOOPFHSA-N 2 0 319.399 3.556 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423420945 1027537230 /nfs/dbraw/zinc/53/72/30/1027537230.db2.gz AMYNCTHCLVFVRT-NUEKZKHPSA-N 2 0 310.844 3.908 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1OC(F)F ZINC000423425765 1027537536 /nfs/dbraw/zinc/53/75/36/1027537536.db2.gz HCJUMAZSCYNQPJ-WDEREUQCSA-N 2 0 304.356 3.595 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OC)c(OC)c1 ZINC000423417241 1027540137 /nfs/dbraw/zinc/54/01/37/1027540137.db2.gz FFEXURQEKIIKBZ-BFYDXBDKSA-N 2 0 320.477 3.510 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423453580 1027548192 /nfs/dbraw/zinc/54/81/92/1027548192.db2.gz ARXQVZUVVYCCRS-SGMGOOAPSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423435544 1027548943 /nfs/dbraw/zinc/54/89/43/1027548943.db2.gz OVOYEHDATLDRBG-MNOVXSKESA-N 2 0 317.246 3.756 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423434503 1027551042 /nfs/dbraw/zinc/55/10/42/1027551042.db2.gz NZNUGWFGVGHYGP-KKXNLOMOSA-N 3 0 317.521 3.537 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(Br)c(F)c1 ZINC000423435546 1027551138 /nfs/dbraw/zinc/55/11/38/1027551138.db2.gz OVOYEHDATLDRBG-WDEREUQCSA-N 2 0 317.246 3.756 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000423436938 1027552896 /nfs/dbraw/zinc/55/28/96/1027552896.db2.gz QCSNYTHOUKJUFF-CJNGLKHVSA-N 2 0 310.869 3.969 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423438147 1027553128 /nfs/dbraw/zinc/55/31/28/1027553128.db2.gz MQTZQJXCCYDEHH-SLFFLAALSA-N 2 0 300.490 3.622 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423461228 1027555494 /nfs/dbraw/zinc/55/54/94/1027555494.db2.gz SPPVHIAKPVYSSU-RNCFNFMXSA-N 2 0 317.296 3.679 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000423462339 1027555574 /nfs/dbraw/zinc/55/55/74/1027555574.db2.gz DOSYPLOEFBSUGU-XNRPHZJLSA-N 2 0 308.853 3.661 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423461573 1027556095 /nfs/dbraw/zinc/55/60/95/1027556095.db2.gz SXRKWDPTBBFMOG-GRYCIOLGSA-N 2 0 319.276 3.866 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC1(C)C ZINC000423468975 1027557376 /nfs/dbraw/zinc/55/73/76/1027557376.db2.gz KCDWLEONPQHZKT-OXXUSNJHSA-N 2 0 304.453 3.543 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1SC ZINC000423470560 1027558358 /nfs/dbraw/zinc/55/83/58/1027558358.db2.gz WNYCNEBGOULAPL-KCQAQPDRSA-N 2 0 308.491 3.585 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000423478665 1027561259 /nfs/dbraw/zinc/56/12/59/1027561259.db2.gz UIQCNFTZXODICA-XJKCOSOUSA-N 2 0 308.853 3.661 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423479199 1027561308 /nfs/dbraw/zinc/56/13/08/1027561308.db2.gz LYZTUWLDLVNYJF-JSGCOSHPSA-N 2 0 316.367 3.768 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423479298 1027561723 /nfs/dbraw/zinc/56/17/23/1027561723.db2.gz UYOQFRJQAZGGCJ-DOXZYTNZSA-N 2 0 311.473 3.961 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000423498307 1027563768 /nfs/dbraw/zinc/56/37/68/1027563768.db2.gz HYPJPNOJYHSBOK-RHSMWYFYSA-N 2 0 312.413 3.546 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423499840 1027564369 /nfs/dbraw/zinc/56/43/69/1027564369.db2.gz BFLQFFZAQKYHGI-XLIONFOSSA-N 2 0 311.473 3.863 20 0 DHADRP CCc1ccccc1[C@@H](N)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423505246 1027567334 /nfs/dbraw/zinc/56/73/34/1027567334.db2.gz OEMAYADGGNQQBE-JXFKEZNVSA-N 2 0 311.473 3.645 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423487815 1027570669 /nfs/dbraw/zinc/57/06/69/1027570669.db2.gz CYLHMQNYMLEEFR-GZBFAFLISA-N 2 0 301.459 3.588 20 0 DHADRP Clc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423489520 1027571073 /nfs/dbraw/zinc/57/10/73/1027571073.db2.gz GFFIVMNZKSOROU-ROUUACIJSA-N 2 0 322.880 3.539 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000423494812 1027573395 /nfs/dbraw/zinc/57/33/95/1027573395.db2.gz BAUVUYRWCVVYKW-KDOFPFPSSA-N 2 0 316.420 3.965 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000423519859 1027576773 /nfs/dbraw/zinc/57/67/73/1027576773.db2.gz QQLJDTYVCAJFNL-WCIQWLHISA-N 2 0 316.489 3.652 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423513131 1027576810 /nfs/dbraw/zinc/57/68/10/1027576810.db2.gz VFPLNZPHBNJNFO-QFBILLFUSA-N 2 0 311.473 3.883 20 0 DHADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423518997 1027577824 /nfs/dbraw/zinc/57/78/24/1027577824.db2.gz CXHNALMXNKNPJB-STQMWFEESA-N 2 0 303.475 3.520 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000423558350 1027581881 /nfs/dbraw/zinc/58/18/81/1027581881.db2.gz SILIKWFQYSVQFV-BMFAXAFESA-N 2 0 318.892 3.639 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(OC)cc1 ZINC000423540639 1027582996 /nfs/dbraw/zinc/58/29/96/1027582996.db2.gz KEEARXSXQWDHIH-MTNOOBJLSA-N 2 0 302.462 3.514 20 0 DHADRP COc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423539955 1027584679 /nfs/dbraw/zinc/58/46/79/1027584679.db2.gz PQIMQHREQRGUCN-OAQYLSRUSA-N 2 0 322.452 3.684 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423542703 1027584835 /nfs/dbraw/zinc/58/48/35/1027584835.db2.gz MNSOFKQCGSOCGU-LJISPDSOSA-N 2 0 324.415 3.635 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCCO2 ZINC000423545921 1027585777 /nfs/dbraw/zinc/58/57/77/1027585777.db2.gz POTCVJYQOQKQBQ-IARIHHJXSA-N 2 0 320.864 3.531 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423548543 1027586641 /nfs/dbraw/zinc/58/66/41/1027586641.db2.gz RLLHJGNOJJTIHW-FAJBIJEISA-N 2 0 318.530 3.781 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(-c2ccncc2)c1 ZINC000423553878 1027587378 /nfs/dbraw/zinc/58/73/78/1027587378.db2.gz WGBAHTWUIXBUJL-FCRQHZQGSA-N 2 0 321.468 3.787 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000798956981 1027607689 /nfs/dbraw/zinc/60/76/89/1027607689.db2.gz SKAAPLVENYOGKY-UHFFFAOYSA-N 2 0 300.490 3.772 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC000576377429 1027608358 /nfs/dbraw/zinc/60/83/58/1027608358.db2.gz VHCQWGNONPEVKN-JOCHJYFZSA-N 2 0 320.480 3.846 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000576419396 1027613553 /nfs/dbraw/zinc/61/35/53/1027613553.db2.gz QRPOZAPHDVNXIK-HRAATJIYSA-N 2 0 324.468 3.965 20 0 DHADRP Cl/C=C/C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370802 1027622820 /nfs/dbraw/zinc/62/28/20/1027622820.db2.gz LHDZUBZPECZINB-ONNFQVAWSA-N 2 0 304.865 3.727 20 0 DHADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000577479827 1027781439 /nfs/dbraw/zinc/78/14/39/1027781439.db2.gz NEPXJCWYKQRXKI-SFHVURJKSA-N 2 0 316.489 3.638 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C[C@@H]21 ZINC001170716447 1027783346 /nfs/dbraw/zinc/78/33/46/1027783346.db2.gz UEDIMXVRPIRGJB-OWQNAKTJSA-N 2 0 324.512 3.921 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170716897 1027796495 /nfs/dbraw/zinc/79/64/95/1027796495.db2.gz ZQBMUQUTJTZAIW-LWYYNNOASA-N 2 0 312.501 3.923 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccn1 ZINC000527639330 1027799918 /nfs/dbraw/zinc/79/99/18/1027799918.db2.gz UFDSCRIYPTXFRB-QGZVFWFLSA-N 2 0 323.484 3.912 20 0 DHADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000577600573 1027839688 /nfs/dbraw/zinc/83/96/88/1027839688.db2.gz OXKPCVYKXQRPTL-CWIOURORSA-N 2 0 316.489 3.552 20 0 DHADRP c1ccc(-c2cccc(C[NH2+]C[C@H]3CCN3C3CCCC3)c2)nc1 ZINC000527807109 1027894103 /nfs/dbraw/zinc/89/41/03/1027894103.db2.gz MNDDFVHNGKCONF-HXUWFJFHSA-N 2 0 321.468 3.855 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CC3CC[NH2+]CC3)cs2)cs1 ZINC000577719970 1027907836 /nfs/dbraw/zinc/90/78/36/1027907836.db2.gz AHCPJLNHPKHGOC-LLVKDONJSA-N 2 0 321.515 3.830 20 0 DHADRP Cc1cc(C)c(CS(=O)Cc2c(C)cc(C)nc2C)c(C)n1 ZINC000600937271 1027911937 /nfs/dbraw/zinc/91/19/37/1027911937.db2.gz WNYLAOIBAVWJCB-UHFFFAOYSA-N 2 0 316.470 3.776 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCSCC1 ZINC000779028077 1027925628 /nfs/dbraw/zinc/92/56/28/1027925628.db2.gz WBPMIHSKYRQJJV-FAEJEUNOSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC12CC2 ZINC000527867815 1027925709 /nfs/dbraw/zinc/92/57/09/1027925709.db2.gz YFDFTHYRHRINII-VNVJMFPYSA-N 2 0 310.485 3.960 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@@H]1CC12CC2 ZINC000527867064 1027928172 /nfs/dbraw/zinc/92/81/72/1027928172.db2.gz NMGAOGWIEHSMCZ-QBYUYEEZSA-N 2 0 304.503 3.909 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H]1CC12CC2 ZINC000527867051 1027928723 /nfs/dbraw/zinc/92/87/23/1027928723.db2.gz NMGAOGWIEHSMCZ-JKQORVJESA-N 2 0 304.503 3.909 20 0 DHADRP Fc1cc2c(cc1Cl)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000527850912 1027931428 /nfs/dbraw/zinc/93/14/28/1027931428.db2.gz OWGRMBNLOKYLFB-APPDUMDISA-N 2 0 308.828 3.540 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CC=CCC4)CC3)C[C@@H]21 ZINC001170739088 1028006235 /nfs/dbraw/zinc/00/62/35/1028006235.db2.gz NWXBJDXNIJHLIL-OQIJWPOYSA-N 2 0 302.506 3.831 20 0 DHADRP COc1ccc(-c2ccccc2)cc1CNCCC[NH+]1CCC1 ZINC000578522915 1028172414 /nfs/dbraw/zinc/17/24/14/1028172414.db2.gz ZUWOGNZMOQHJSK-UHFFFAOYSA-N 2 0 310.441 3.548 20 0 DHADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000564114811 1028310162 /nfs/dbraw/zinc/31/01/62/1028310162.db2.gz MYOOTVQHYQOYMY-UVTDQMKNSA-N 2 0 324.390 3.960 20 0 DHADRP COc1cc(F)cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000449084406 1028322128 /nfs/dbraw/zinc/32/21/28/1028322128.db2.gz XPXSTXNRPQCQAP-OAHLLOKOSA-N 2 0 308.441 3.579 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000449087211 1028325989 /nfs/dbraw/zinc/32/59/89/1028325989.db2.gz UZYVGJSKLTYBGC-INIZCTEOSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449071283 1028335101 /nfs/dbraw/zinc/33/51/01/1028335101.db2.gz HFDACTCYMIBZNA-CABCVRRESA-N 2 0 311.429 3.795 20 0 DHADRP C[C@@H](Cc1ccoc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000449100963 1028350431 /nfs/dbraw/zinc/35/04/31/1028350431.db2.gz XXMHTBIMZZVYDQ-KRWDZBQOSA-N 2 0 312.457 3.712 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000579220722 1028353938 /nfs/dbraw/zinc/35/39/38/1028353938.db2.gz XBWCFPYLIPNRDT-HNNXBMFYSA-N 2 0 312.910 3.800 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000564201167 1028356195 /nfs/dbraw/zinc/35/61/95/1028356195.db2.gz XFIVSRQPXNVONZ-PMACEKPBSA-N 2 0 316.489 3.699 20 0 DHADRP C[NH+](C)CCCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449105789 1028359101 /nfs/dbraw/zinc/35/91/01/1028359101.db2.gz IUJDMOCXUFAETA-UHFFFAOYSA-N 3 0 311.558 3.597 20 0 DHADRP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449092413 1028365684 /nfs/dbraw/zinc/36/56/84/1028365684.db2.gz LZPGUOMJKGGPEA-KRWDZBQOSA-N 2 0 312.542 3.662 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449130714 1028385840 /nfs/dbraw/zinc/38/58/40/1028385840.db2.gz HMBUASAWLFOHFN-FUHWJXTLSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000449175163 1028417412 /nfs/dbraw/zinc/41/74/12/1028417412.db2.gz QPARTIYLYRJQLO-FUHWJXTLSA-N 2 0 323.569 3.738 20 0 DHADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449159786 1028420347 /nfs/dbraw/zinc/42/03/47/1028420347.db2.gz ISXQWMQWYACCKO-IEBWSBKVSA-N 2 0 320.521 3.580 20 0 DHADRP C[C@H](O)C[C@H](C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449165915 1028424935 /nfs/dbraw/zinc/42/49/35/1028424935.db2.gz YCHXEIAOPBELCM-HOTGVXAUSA-N 2 0 312.542 3.662 20 0 DHADRP Cn1ccnc1[C@H]1CCCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000369082275 1028442156 /nfs/dbraw/zinc/44/21/56/1028442156.db2.gz FFOSBTZFKHFOTJ-ZDUSSCGKSA-N 2 0 318.490 3.554 20 0 DHADRP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449250805 1028474503 /nfs/dbraw/zinc/47/45/03/1028474503.db2.gz PZDSEIKDBDKGCU-QWPQOLDESA-N 2 0 310.526 3.582 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000449267593 1028494553 /nfs/dbraw/zinc/49/45/53/1028494553.db2.gz AEHSHLPJLBPCDB-KZNAEPCWSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000369614675 1028510816 /nfs/dbraw/zinc/51/08/16/1028510816.db2.gz GXNSPKOULZEPQF-FPMFFAJLSA-N 2 0 312.910 3.825 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000449265237 1028518474 /nfs/dbraw/zinc/51/84/74/1028518474.db2.gz REYGOUUGDIFSDV-FUHWJXTLSA-N 2 0 324.553 3.806 20 0 DHADRP COc1cccc2c(C[N@H+](C)[C@@H]3CCN(C)C[C@@H]3C)cccc12 ZINC000449328090 1028537597 /nfs/dbraw/zinc/53/75/97/1028537597.db2.gz DSVGHMHCIIVEND-HNAYVOBHSA-N 2 0 312.457 3.620 20 0 DHADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000369854751 1028539122 /nfs/dbraw/zinc/53/91/22/1028539122.db2.gz ZVWBRAZLDHFANZ-QOKNQOGYSA-N 2 0 313.420 3.564 20 0 DHADRP Cn1cncc1CCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000565175533 1028551559 /nfs/dbraw/zinc/55/15/59/1028551559.db2.gz VUROPFUSTWFNGY-IBGZPJMESA-N 2 0 315.436 3.589 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000449345783 1028559202 /nfs/dbraw/zinc/55/92/02/1028559202.db2.gz JUZICOXPBFRDHU-SJLPKXTDSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](CNCc2ccc(CSC(F)F)o2)C1 ZINC000040623015 1028583055 /nfs/dbraw/zinc/58/30/55/1028583055.db2.gz YJOOLMXHKDDWSI-GFCCVEGCSA-N 2 0 318.433 3.555 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(C)(F)F)CC1 ZINC000449354039 1028588065 /nfs/dbraw/zinc/58/80/65/1028588065.db2.gz JNKNVFAXNBRBAK-OAHLLOKOSA-N 2 0 310.432 3.717 20 0 DHADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000389620526 1028595062 /nfs/dbraw/zinc/59/50/62/1028595062.db2.gz HVTSZVOPTMNHJS-MOPGFXCFSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000449400412 1028617838 /nfs/dbraw/zinc/61/78/38/1028617838.db2.gz BLQIIRURDFXAKR-XLIONFOSSA-N 2 0 309.457 3.533 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccncc1 ZINC000371208910 1028678011 /nfs/dbraw/zinc/67/80/11/1028678011.db2.gz KDXIWXLHEZLQRF-GUXCAODWSA-N 2 0 309.457 3.567 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(SC(F)F)cc2)CC[N@@H+]1C ZINC000781632901 1028761728 /nfs/dbraw/zinc/76/17/28/1028761728.db2.gz ZNMSZHATVKPGCQ-AAEUAGOBSA-N 2 0 300.418 3.574 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000566823705 1028787873 /nfs/dbraw/zinc/78/78/73/1028787873.db2.gz LWQSCIYQJLTWKM-FXAWDEMLSA-N 2 0 300.490 3.529 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000372047953 1028798933 /nfs/dbraw/zinc/79/89/33/1028798933.db2.gz VZPOXYSOBLAMOF-INMHGKMJSA-N 2 0 310.507 3.536 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000449628800 1028863505 /nfs/dbraw/zinc/86/35/05/1028863505.db2.gz SIOIKYJJDXUUHG-HOTGVXAUSA-N 2 0 322.518 3.821 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000449626946 1028863943 /nfs/dbraw/zinc/86/39/43/1028863943.db2.gz YHEHJKHTFKOBPI-MRXNPFEDSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@]2(C)CCCS2)C1 ZINC000628156280 1028909095 /nfs/dbraw/zinc/90/90/95/1028909095.db2.gz KDMATFAJHSQQTL-KURKYZTESA-N 2 0 310.551 3.859 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000372971801 1028927554 /nfs/dbraw/zinc/92/75/54/1028927554.db2.gz ARHHADCHANIKTG-YIYPIFLZSA-N 2 0 312.910 3.825 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCCS2 ZINC000567639110 1028931710 /nfs/dbraw/zinc/93/17/10/1028931710.db2.gz WEMZYOWLDAQZDV-OAHLLOKOSA-N 2 0 310.894 3.856 20 0 DHADRP Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000628353049 1029013676 /nfs/dbraw/zinc/01/36/76/1029013676.db2.gz FQXILYRYVATOAW-MJGOQNOKSA-N 2 0 300.490 3.810 20 0 DHADRP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000373384621 1029028971 /nfs/dbraw/zinc/02/89/71/1029028971.db2.gz NUYXDNJNUYHKPQ-FFGOWVMKSA-N 2 0 315.505 3.879 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CCCCC1 ZINC000373383178 1029029159 /nfs/dbraw/zinc/02/91/59/1029029159.db2.gz JNEXXKIBAMQYJW-MNEFBYGVSA-N 2 0 301.478 3.633 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000373412322 1029036428 /nfs/dbraw/zinc/03/64/28/1029036428.db2.gz KKKSJWSOTUKRHN-IXDOHACOSA-N 2 0 306.400 3.540 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000373412320 1029037859 /nfs/dbraw/zinc/03/78/59/1029037859.db2.gz KKKSJWSOTUKRHN-IKGGRYGDSA-N 2 0 306.400 3.540 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000568354451 1029051106 /nfs/dbraw/zinc/05/11/06/1029051106.db2.gz YXMNXMBEXZERRJ-XEMDLRDOSA-N 2 0 316.489 3.718 20 0 DHADRP COC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411276367 1029082816 /nfs/dbraw/zinc/08/28/16/1029082816.db2.gz ZXWGBLDSZSTMCS-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cncs2)CC1 ZINC000411345650 1029110608 /nfs/dbraw/zinc/11/06/08/1029110608.db2.gz LEPYQPNAFQWVKM-INIZCTEOSA-N 2 0 321.534 3.662 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000373764026 1029129854 /nfs/dbraw/zinc/12/98/54/1029129854.db2.gz ZPGFIOLGMFAPDH-UHFFFAOYSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)[C@H](C)C1CCCCC1 ZINC000568856970 1029137351 /nfs/dbraw/zinc/13/73/51/1029137351.db2.gz GOROYNPXLAYJNJ-LSDHHAIUSA-N 2 0 319.493 3.836 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000411514925 1029147797 /nfs/dbraw/zinc/14/77/97/1029147797.db2.gz GYCJULXKFYHVRF-UXHICEINSA-N 2 0 316.489 3.720 20 0 DHADRP C[N@H+](CC[C@@H]1CCCO1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624881 1029172427 /nfs/dbraw/zinc/17/24/27/1029172427.db2.gz TWCVUDSDDZMTMT-FQEVSTJZSA-N 2 0 316.489 3.673 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000569199919 1029192870 /nfs/dbraw/zinc/19/28/70/1029192870.db2.gz ARCXAJZKJHPTQT-FZMZJTMJSA-N 2 0 321.877 3.681 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000569768683 1029262031 /nfs/dbraw/zinc/26/20/31/1029262031.db2.gz AIRIBLQEULKQFR-MPRQEMDOSA-N 2 0 324.512 3.957 20 0 DHADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817902014 1029272615 /nfs/dbraw/zinc/27/26/15/1029272615.db2.gz GPZUECHSSZZUJL-IPMKNSEASA-N 2 0 315.505 3.543 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)[C@@H]2CCC[C@@H]21 ZINC000569892576 1029281644 /nfs/dbraw/zinc/28/16/44/1029281644.db2.gz PXKJIWUZMVGQTR-ULQDDVLXSA-N 2 0 300.471 3.864 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cc1F ZINC000817946903 1029287205 /nfs/dbraw/zinc/28/72/05/1029287205.db2.gz HPCVMZAGLBKOCI-GOSISDBHSA-N 2 0 304.384 3.707 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817961794 1029302503 /nfs/dbraw/zinc/30/25/03/1029302503.db2.gz CLFDFAKEYJBGEG-YGRLFVJLSA-N 2 0 300.418 3.563 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817965484 1029305690 /nfs/dbraw/zinc/30/56/90/1029305690.db2.gz VRVBLCKSRVRGAT-JTQLQIEISA-N 2 0 316.276 3.616 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000817965966 1029307131 /nfs/dbraw/zinc/30/71/31/1029307131.db2.gz FOTOIFWITOOTGJ-DYVFJYSZSA-N 2 0 310.869 3.697 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccnc(Cl)c1 ZINC000817982678 1029320820 /nfs/dbraw/zinc/32/08/20/1029320820.db2.gz VJABNZPGNPSQKB-BBRMVZONSA-N 2 0 303.837 3.866 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)CCO2 ZINC000817982672 1029320868 /nfs/dbraw/zinc/32/08/68/1029320868.db2.gz VIJPVUPWLMJRBF-HNAYVOBHSA-N 2 0 310.441 3.752 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629514235 1029352151 /nfs/dbraw/zinc/35/21/51/1029352151.db2.gz LBGNRMHSEDMSDR-NIKGAXFTSA-N 2 0 309.457 3.692 20 0 DHADRP Cc1cncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000629527929 1029358925 /nfs/dbraw/zinc/35/89/25/1029358925.db2.gz JTKYTMGFBQMFEN-NHCUHLMSSA-N 2 0 323.484 3.562 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629532040 1029360502 /nfs/dbraw/zinc/36/05/02/1029360502.db2.gz JHKHZFJENCNYJL-IEBWSBKVSA-N 2 0 315.505 3.725 20 0 DHADRP c1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000629547791 1029364073 /nfs/dbraw/zinc/36/40/73/1029364073.db2.gz CVQKLTAZSCUASE-VAMGGRTRSA-N 2 0 321.468 3.759 20 0 DHADRP c1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000629547795 1029364203 /nfs/dbraw/zinc/36/42/03/1029364203.db2.gz CVQKLTAZSCUASE-XUVXKRRUSA-N 2 0 321.468 3.759 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374519497 1029369399 /nfs/dbraw/zinc/36/93/99/1029369399.db2.gz JUVGLVOLGGCVAO-GOSISDBHSA-N 2 0 301.409 3.542 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1C[NH+]1CCCCC1 ZINC000818355922 1029382704 /nfs/dbraw/zinc/38/27/04/1029382704.db2.gz LBKGHDOSNVFEKI-HNAYVOBHSA-N 2 0 314.473 3.884 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)[C@H](C)C1 ZINC001170913656 1029423285 /nfs/dbraw/zinc/42/32/85/1029423285.db2.gz HKGRJOQGRIBGIZ-IDHHARJASA-N 2 0 320.908 3.906 20 0 DHADRP CC1(C)CC[C@H]1[NH2+]Cc1cncc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000570822134 1029423982 /nfs/dbraw/zinc/42/39/82/1029423982.db2.gz APYUIVPSIZTKRU-CALCHBBNSA-N 2 0 301.478 3.638 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccsc2C(F)(F)F)C1 ZINC000529569284 1029427383 /nfs/dbraw/zinc/42/73/83/1029427383.db2.gz NPJIKTOBBQTTQU-DGCLKSJQSA-N 2 0 318.408 3.683 20 0 DHADRP CC1(C)CCC[C@@H]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000529637774 1029470649 /nfs/dbraw/zinc/47/06/49/1029470649.db2.gz DPAWGMZRJAYYTE-MRXNPFEDSA-N 2 0 301.478 3.856 20 0 DHADRP FC1(F)CCCC[C@@H]1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000450605034 1029563689 /nfs/dbraw/zinc/56/36/89/1029563689.db2.gz YDSKZHSWDLPDPZ-INMHGKMJSA-N 2 0 312.448 3.761 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH+]1CCC(n3ccnc3)CC1)CC2 ZINC001170944485 1029694997 /nfs/dbraw/zinc/69/49/97/1029694997.db2.gz QAERJFVALPKUCZ-INIZCTEOSA-N 2 0 315.848 3.731 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170948500 1029733658 /nfs/dbraw/zinc/73/36/58/1029733658.db2.gz HMUQJCJUGCOCGL-JZXOWHBKSA-N 2 0 318.480 3.641 20 0 DHADRP FC1(F)CC(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000450982626 1029759286 /nfs/dbraw/zinc/75/92/86/1029759286.db2.gz MHROYMSBZAYVCK-SFHVURJKSA-N 2 0 320.427 3.630 20 0 DHADRP CN1CCC([NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820805520 1029768015 /nfs/dbraw/zinc/76/80/15/1029768015.db2.gz LIOVGFMBGNRDCE-SFHVURJKSA-N 2 0 318.848 3.901 20 0 DHADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCOC3(CCCCC3)C1)C2 ZINC000820822803 1029772507 /nfs/dbraw/zinc/77/25/07/1029772507.db2.gz KPOSFOGUZOFDQE-VBZNHOPUSA-N 2 0 318.505 3.616 20 0 DHADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530218523 1029780023 /nfs/dbraw/zinc/78/00/23/1029780023.db2.gz GQTIDHIMRZCFFB-AZUAARDMSA-N 2 0 323.415 3.892 20 0 DHADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530218526 1029780505 /nfs/dbraw/zinc/78/05/05/1029780505.db2.gz GQTIDHIMRZCFFB-ICSRJNTNSA-N 2 0 323.415 3.892 20 0 DHADRP COc1cccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CC2(C)C)c1 ZINC000530230462 1029783397 /nfs/dbraw/zinc/78/33/97/1029783397.db2.gz GNUYWYAXROQVSF-APWZRJJASA-N 2 0 316.489 3.510 20 0 DHADRP CSC(C)(C)CC[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000820874864 1029783781 /nfs/dbraw/zinc/78/37/81/1029783781.db2.gz NEDODLLEAORXLN-HNNXBMFYSA-N 2 0 321.534 3.728 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c2ccccc21 ZINC000530211595 1029784038 /nfs/dbraw/zinc/78/40/38/1029784038.db2.gz MQKNYNUARVBOQR-ZWJWXYIHSA-N 2 0 310.828 3.713 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170955055 1029785945 /nfs/dbraw/zinc/78/59/45/1029785945.db2.gz DCGFWKIOZRCXDE-DOTOQJQBSA-N 2 0 304.453 3.537 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc(F)c1F ZINC000121885596 1029867305 /nfs/dbraw/zinc/86/73/05/1029867305.db2.gz KNIHPZRHMZVZTE-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170976321 1029931356 /nfs/dbraw/zinc/93/13/56/1029931356.db2.gz YTJSLEFQHKQGLI-SZMVWBNQSA-N 2 0 316.464 3.807 20 0 DHADRP C1CC([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCOC2)C1 ZINC000865759851 1030008786 /nfs/dbraw/zinc/00/87/86/1030008786.db2.gz SPNGGIRMOVFFRK-YLJYHZDGSA-N 2 0 320.521 3.578 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000865765685 1030013819 /nfs/dbraw/zinc/01/38/19/1030013819.db2.gz HDGTVYKPUGGARU-UHFFFAOYSA-N 2 0 313.445 3.694 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451887853 1030043405 /nfs/dbraw/zinc/04/34/05/1030043405.db2.gz HAONXKYVPBMISE-GOSISDBHSA-N 2 0 323.569 3.693 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822606220 1030069980 /nfs/dbraw/zinc/06/99/80/1030069980.db2.gz KZYAQXPGPIXEIA-CQSZACIVSA-N 2 0 307.309 3.623 20 0 DHADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000557277955 1030079449 /nfs/dbraw/zinc/07/94/49/1030079449.db2.gz XCEVICRILBAPSH-BHIFYINESA-N 2 0 324.512 3.959 20 0 DHADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000290563596 1030107385 /nfs/dbraw/zinc/10/73/85/1030107385.db2.gz SMIIALWQJRMGBP-JXFKEZNVSA-N 2 0 309.457 3.521 20 0 DHADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C(C)(C)O)cc1 ZINC000924570189 1030123595 /nfs/dbraw/zinc/12/35/95/1030123595.db2.gz NLOKUWMYZFZKAM-AWEZNQCLSA-N 2 0 318.505 3.874 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)Cc1ccccn1 ZINC000924585819 1030132130 /nfs/dbraw/zinc/13/21/30/1030132130.db2.gz ZJYPSSAQGOPTNP-QGZVFWFLSA-N 2 0 311.473 3.644 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924628565 1030146634 /nfs/dbraw/zinc/14/66/34/1030146634.db2.gz JSMGEWPKEWTOJX-INIZCTEOSA-N 2 0 318.505 3.685 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924648591 1030148888 /nfs/dbraw/zinc/14/88/88/1030148888.db2.gz MAALOXGNGLGHOX-CVEARBPZSA-N 2 0 318.530 3.804 20 0 DHADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000924657364 1030153188 /nfs/dbraw/zinc/15/31/88/1030153188.db2.gz MCDDIZNMVALJGW-VQTJNVASSA-N 2 0 318.505 3.678 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccnnc1 ZINC000924667629 1030154122 /nfs/dbraw/zinc/15/41/22/1030154122.db2.gz LSVDAJDOHDFXLZ-IAGOWNOFSA-N 2 0 324.472 3.559 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000924685248 1030157975 /nfs/dbraw/zinc/15/79/75/1030157975.db2.gz OGPRXLKRQSSIKH-KKUMJFAQSA-N 2 0 307.482 3.700 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000866234684 1030171310 /nfs/dbraw/zinc/17/13/10/1030171310.db2.gz WASDBCFOXYQWLD-ZWKOTPCHSA-N 2 0 303.494 3.647 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924760336 1030178262 /nfs/dbraw/zinc/17/82/62/1030178262.db2.gz BDELPKNMHFVQOD-CVEARBPZSA-N 2 0 312.457 3.652 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCc2cccnc2)c1 ZINC000866259222 1030185142 /nfs/dbraw/zinc/18/51/42/1030185142.db2.gz JYBIETBAYMHEHG-QGZVFWFLSA-N 2 0 311.473 3.644 20 0 DHADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924827655 1030197373 /nfs/dbraw/zinc/19/73/73/1030197373.db2.gz CSRBXYCBIJIXEY-PMACEKPBSA-N 2 0 318.505 3.678 20 0 DHADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C1CCCCC1 ZINC000924898563 1030221559 /nfs/dbraw/zinc/22/15/59/1030221559.db2.gz VTYVIXYPPBNMTR-IPQPSQTFSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866314805 1030224971 /nfs/dbraw/zinc/22/49/71/1030224971.db2.gz PFTZWGAEFFUKRH-NRFANRHFSA-N 2 0 321.468 3.607 20 0 DHADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(OC)c1 ZINC000357867302 1030230086 /nfs/dbraw/zinc/23/00/86/1030230086.db2.gz DYWROPSUJMCLNG-GOSISDBHSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866403023 1030283708 /nfs/dbraw/zinc/28/37/08/1030283708.db2.gz PVKJRVZXCWDFFT-WDSOQIARSA-N 2 0 318.530 3.630 20 0 DHADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)cnn1C(C)C ZINC000866469579 1030309135 /nfs/dbraw/zinc/30/91/35/1030309135.db2.gz MYDBOMRQSUTJPN-INIZCTEOSA-N 2 0 320.525 3.934 20 0 DHADRP CC1(C)CC2(CC([NH2+]C3CCC([NH+]4CCCCC4)CC3)C2)CO1 ZINC000925227016 1030310624 /nfs/dbraw/zinc/31/06/24/1030310624.db2.gz APYJGGHSXMHTMK-UHFFFAOYSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCS1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866480136 1030314841 /nfs/dbraw/zinc/31/48/41/1030314841.db2.gz FNYAPGANZHWKAS-QXAKKESOSA-N 2 0 318.530 3.772 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000533393899 1030329131 /nfs/dbraw/zinc/32/91/31/1030329131.db2.gz YIGUOGCZSZWFGP-MAUKXSAKSA-N 2 0 324.896 3.771 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925306683 1030339352 /nfs/dbraw/zinc/33/93/52/1030339352.db2.gz IRZQIAFSHVJFGP-MRXNPFEDSA-N 2 0 317.521 3.662 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)s1 ZINC000866516762 1030341238 /nfs/dbraw/zinc/34/12/38/1030341238.db2.gz UETDMIPUFSUSRE-MKQDKFQKSA-N 2 0 309.523 3.927 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)s1 ZINC000866516765 1030341371 /nfs/dbraw/zinc/34/13/71/1030341371.db2.gz UETDMIPUFSUSRE-RFSCMCKOSA-N 2 0 309.523 3.927 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000866516346 1030341547 /nfs/dbraw/zinc/34/15/47/1030341547.db2.gz PQZALXYFVLOQNZ-UHFFFAOYSA-N 2 0 304.453 3.924 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000866516837 1030342415 /nfs/dbraw/zinc/34/24/15/1030342415.db2.gz DAKSPCOOEIBPRI-UHFFFAOYSA-N 2 0 306.416 3.960 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)CCC2 ZINC000866516996 1030342613 /nfs/dbraw/zinc/34/26/13/1030342613.db2.gz UNYUFVSDJMPOPN-GULBITTBSA-N 2 0 307.507 3.681 20 0 DHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517333 1030342901 /nfs/dbraw/zinc/34/29/01/1030342901.db2.gz GXLKSCBKLIZTRT-ZTRSQXPZSA-N 2 0 304.478 3.615 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ccccc1 ZINC000925518137 1030383294 /nfs/dbraw/zinc/38/32/94/1030383294.db2.gz XNEKAWLGGWZSCH-MRXNPFEDSA-N 2 0 320.383 3.858 20 0 DHADRP C/C=C(\NC=[NH2+])N[C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C[C@H]1C ZINC001171029257 1030388005 /nfs/dbraw/zinc/38/80/05/1030388005.db2.gz WEVGIEKRDFEMOE-MZNHQFBKSA-N 2 0 320.525 3.592 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925536712 1030392580 /nfs/dbraw/zinc/39/25/80/1030392580.db2.gz QPIYARMKYNPYTN-QXSJWSMHSA-N 2 0 318.427 3.865 20 0 DHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925546654 1030395557 /nfs/dbraw/zinc/39/55/57/1030395557.db2.gz LYRCGZGILDDVDB-RTBURBONSA-N 2 0 310.441 3.888 20 0 DHADRP Clc1ccc(OCCC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000533526653 1030405407 /nfs/dbraw/zinc/40/54/07/1030405407.db2.gz TYKRWEWQWFJNKO-AWEZNQCLSA-N 2 0 319.836 3.712 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000925615981 1030422707 /nfs/dbraw/zinc/42/27/07/1030422707.db2.gz JIACAYOWZSRXAJ-LJQANCHMSA-N 2 0 312.461 3.568 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCC2 ZINC000925631949 1030426714 /nfs/dbraw/zinc/42/67/14/1030426714.db2.gz LUPCSICFVHNQFJ-BFYDXBDKSA-N 2 0 319.518 3.587 20 0 DHADRP CC1(C)[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925639333 1030429752 /nfs/dbraw/zinc/42/97/52/1030429752.db2.gz KTHHSRFBXRHDKH-HSALFYBXSA-N 2 0 321.468 3.615 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000925643786 1030432876 /nfs/dbraw/zinc/43/28/76/1030432876.db2.gz HVBMINYNVIBOLE-MSOLQXFVSA-N 2 0 314.404 3.719 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc2ncsc2c1 ZINC000925641960 1030433089 /nfs/dbraw/zinc/43/30/89/1030433089.db2.gz DNFAYHWNXNFMIN-IACUBPJLSA-N 2 0 303.475 3.853 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925655075 1030439978 /nfs/dbraw/zinc/43/99/78/1030439978.db2.gz JDCBFIKLJNYHJU-SBLOQVJPSA-N 2 0 304.865 3.705 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000925664363 1030445653 /nfs/dbraw/zinc/44/56/53/1030445653.db2.gz YEOCWKIHPAHSJL-QQBUNOSOSA-N 2 0 302.437 3.567 20 0 DHADRP C[C@@H]1CC(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000925666623 1030445838 /nfs/dbraw/zinc/44/58/38/1030445838.db2.gz NSBUTAKRYLMDJE-GPMSIDNRSA-N 2 0 304.478 3.650 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925661927 1030445952 /nfs/dbraw/zinc/44/59/52/1030445952.db2.gz FQPOYGRKEVYNHC-CWRNSKLLSA-N 2 0 300.437 3.570 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@H](c3ccc(F)cc3)C1)[NH2+]2 ZINC000925663388 1030446278 /nfs/dbraw/zinc/44/62/78/1030446278.db2.gz RPLRVGDUQXNIMX-DPYBKRLMSA-N 2 0 302.437 3.580 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925661930 1030446374 /nfs/dbraw/zinc/44/63/74/1030446374.db2.gz FQPOYGRKEVYNHC-NUEKZKHPSA-N 2 0 300.437 3.570 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](c3ccccc3Cl)C1)[NH2+]2 ZINC000925677049 1030451509 /nfs/dbraw/zinc/45/15/09/1030451509.db2.gz VKKKCUSVXCXOQQ-WZFAXLERSA-N 2 0 304.865 3.705 20 0 DHADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccc2c(c1)CCO2 ZINC000121693404 1030464744 /nfs/dbraw/zinc/46/47/44/1030464744.db2.gz GFEPXDSSXFUIGP-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925733149 1030468941 /nfs/dbraw/zinc/46/89/41/1030468941.db2.gz SXHGGXMRUSEILX-UHTWSYAYSA-N 2 0 315.383 3.657 20 0 DHADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)F ZINC000925734975 1030469322 /nfs/dbraw/zinc/46/93/22/1030469322.db2.gz WHTBBLSRLJCBKB-KBXCAEBGSA-N 2 0 324.415 3.513 20 0 DHADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)F ZINC000925734978 1030469805 /nfs/dbraw/zinc/46/98/05/1030469805.db2.gz WHTBBLSRLJCBKB-RDTXWAMCSA-N 2 0 324.415 3.513 20 0 DHADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925738200 1030472473 /nfs/dbraw/zinc/47/24/73/1030472473.db2.gz WTJNCFWIDDAPGN-KLHDSHLOSA-N 2 0 300.437 3.712 20 0 DHADRP CSC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000925743050 1030473819 /nfs/dbraw/zinc/47/38/19/1030473819.db2.gz ZQAQZGBZNVVYTR-ZDUSSCGKSA-N 2 0 320.424 3.827 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000925757462 1030482339 /nfs/dbraw/zinc/48/23/39/1030482339.db2.gz HDEQLHZPWCLRNB-ZWKOTPCHSA-N 2 0 316.489 3.574 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000925757909 1030485171 /nfs/dbraw/zinc/48/51/71/1030485171.db2.gz WGGMQSHIJWLZCK-KGLIPLIRSA-N 2 0 317.502 3.992 20 0 DHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925790132 1030498716 /nfs/dbraw/zinc/49/87/16/1030498716.db2.gz GFPBYUYBFVRBJG-MDZRGWNJSA-N 2 0 324.468 3.868 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000925822985 1030510578 /nfs/dbraw/zinc/51/05/78/1030510578.db2.gz NFKRSVRQFVKQRA-GLKKMWKASA-N 3 0 313.489 3.518 20 0 DHADRP Cc1nc2c(cccc2CC[NH2+][C@H](CCC[NH3+])c2ccccc2)o1 ZINC000925837781 1030513738 /nfs/dbraw/zinc/51/37/38/1030513738.db2.gz ISTMHBOVWROTQJ-GOSISDBHSA-N 2 0 323.440 3.749 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925840604 1030517162 /nfs/dbraw/zinc/51/71/62/1030517162.db2.gz MXLXKJAYGVBSJL-AJYBTWMASA-N 2 0 313.489 3.538 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000925876423 1030530253 /nfs/dbraw/zinc/53/02/53/1030530253.db2.gz XPKYWHLEFXVKHB-VKZRIFJHSA-N 2 0 320.452 3.578 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000925881711 1030531332 /nfs/dbraw/zinc/53/13/32/1030531332.db2.gz KUBUCULEQHLUSA-OWYHZJEWSA-N 2 0 304.453 3.554 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c(C)c1 ZINC000925881635 1030532767 /nfs/dbraw/zinc/53/27/67/1030532767.db2.gz KEQSECOEJIRIFO-DJPFJPOOSA-N 2 0 324.468 3.713 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171057890 1030580342 /nfs/dbraw/zinc/58/03/42/1030580342.db2.gz GYMPDUHSKZDZTM-AWEZNQCLSA-N 2 0 315.288 3.782 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000926115641 1030622497 /nfs/dbraw/zinc/62/24/97/1030622497.db2.gz WEULGBYNFZKNAW-HXUWFJFHSA-N 2 0 323.484 3.801 20 0 DHADRP Cc1cccc([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccccn2)c1 ZINC000926116369 1030623581 /nfs/dbraw/zinc/62/35/81/1030623581.db2.gz YNRDJYJLPUSDAG-FQEVSTJZSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926175086 1030642732 /nfs/dbraw/zinc/64/27/32/1030642732.db2.gz NULRKGWATBKCHD-LPHOPBHVSA-N 2 0 304.478 3.748 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246851879 1030658657 /nfs/dbraw/zinc/65/86/57/1030658657.db2.gz CPADJRWAQJJPGS-QZTJIDSGSA-N 2 0 318.505 3.966 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)s1 ZINC000247066048 1030673533 /nfs/dbraw/zinc/67/35/33/1030673533.db2.gz PXHBJUBTPCZTIH-DZKIICNBSA-N 2 0 324.534 3.905 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000359004117 1030722949 /nfs/dbraw/zinc/72/29/49/1030722949.db2.gz SSKBNFYBQDVGAM-HOCLYGCPSA-N 2 0 308.416 3.532 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC000558725665 1030752214 /nfs/dbraw/zinc/75/22/14/1030752214.db2.gz VRIPVOGBBKOMBI-JLSDUUJJSA-N 2 0 324.896 3.832 20 0 DHADRP CSC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000248661791 1030758359 /nfs/dbraw/zinc/75/83/59/1030758359.db2.gz XQVNSCADYRMQOC-BCDXTJNWSA-N 2 0 316.514 3.667 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248754390 1030763208 /nfs/dbraw/zinc/76/32/08/1030763208.db2.gz UVZNHFVFKGWLKJ-IKGGRYGDSA-N 2 0 301.478 3.694 20 0 DHADRP C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)O1 ZINC000249053102 1030786330 /nfs/dbraw/zinc/78/63/30/1030786330.db2.gz IKGQDWYPAVHAIG-ONCXSQPRSA-N 2 0 316.489 3.539 20 0 DHADRP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000249084604 1030787481 /nfs/dbraw/zinc/78/74/81/1030787481.db2.gz IHNHDGFMIZXTGN-MBOZVWFJSA-N 2 0 316.489 3.576 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)COC2 ZINC001137028517 1030792590 /nfs/dbraw/zinc/79/25/90/1030792590.db2.gz QQPZVUSUJDHFCW-VQTJNVASSA-N 2 0 314.473 3.556 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000926572101 1030800138 /nfs/dbraw/zinc/80/01/38/1030800138.db2.gz GAXOCHBRFOABER-GHTZIAJQSA-N 2 0 323.484 3.801 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(Br)c1 ZINC000336792690 1030803375 /nfs/dbraw/zinc/80/33/75/1030803375.db2.gz SZTVAQUUUAUQLG-IUODEOHRSA-N 2 0 313.283 3.688 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000926574254 1030804573 /nfs/dbraw/zinc/80/45/73/1030804573.db2.gz VIGOMAYZZWMDNN-RXVVDRJESA-N 2 0 323.484 3.801 20 0 DHADRP C[C@@H]1SCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000359222645 1030849681 /nfs/dbraw/zinc/84/96/81/1030849681.db2.gz PZQNBZKKOBWMQO-MAUKXSAKSA-N 2 0 304.503 3.555 20 0 DHADRP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926674452 1030855739 /nfs/dbraw/zinc/85/57/39/1030855739.db2.gz FLZPEKUIEFFGKF-RBUKOAKNSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cccc(C[NH+](C)C)c1 ZINC000926805046 1030938055 /nfs/dbraw/zinc/93/80/55/1030938055.db2.gz MUXHIZZREHXJGL-IIBYNOLFSA-N 2 0 323.484 3.586 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000897536161 1031019637 /nfs/dbraw/zinc/01/96/37/1031019637.db2.gz IXRQZIANHHYSTC-UMGGQSCQSA-N 2 0 322.537 3.560 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000927038981 1031045689 /nfs/dbraw/zinc/04/56/89/1031045689.db2.gz QWOAEMDKENEKPW-ZLPCBKJTSA-N 2 0 304.482 3.522 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261615187 1031046349 /nfs/dbraw/zinc/04/63/49/1031046349.db2.gz CQPNWHDWQFTURL-FQEVSTJZSA-N 2 0 310.441 3.533 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038412 1031046514 /nfs/dbraw/zinc/04/65/14/1031046514.db2.gz QLFMNOOAINAFPG-TUBUQKNSSA-N 2 0 308.491 3.814 20 0 DHADRP Cc1nc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(C)s1 ZINC000927039525 1031049267 /nfs/dbraw/zinc/04/92/67/1031049267.db2.gz UYVPZRPLFOONGP-VWDMACCTSA-N 2 0 307.507 3.818 20 0 DHADRP CC(C)O[C@H](CN(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000292526993 1031052748 /nfs/dbraw/zinc/05/27/48/1031052748.db2.gz OSWIFDMLJDRQSC-HXUWFJFHSA-N 2 0 318.505 3.957 20 0 DHADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000261878632 1031074361 /nfs/dbraw/zinc/07/43/61/1031074361.db2.gz UJKWYLWMORXLMY-KRWDZBQOSA-N 2 0 304.434 3.725 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000262020343 1031092471 /nfs/dbraw/zinc/09/24/71/1031092471.db2.gz WCPTWNVQDWHCIC-ZBFHGGJFSA-N 2 0 314.404 3.787 20 0 DHADRP Cc1c(C[N@H+](C)CC2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC001143924895 1031092672 /nfs/dbraw/zinc/09/26/72/1031092672.db2.gz QYOBDIOYDXBZFR-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000927126079 1031107642 /nfs/dbraw/zinc/10/76/42/1031107642.db2.gz VCHCKVAOBJFYGX-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCc2c(C)noc2C)CC1 ZINC000359870448 1031173735 /nfs/dbraw/zinc/17/37/35/1031173735.db2.gz HSYFMACPENXKIY-UHFFFAOYSA-N 2 0 321.509 3.668 20 0 DHADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000359924753 1031196866 /nfs/dbraw/zinc/19/68/66/1031196866.db2.gz JCMOKSWFQBRYMA-LPHOPBHVSA-N 2 0 304.478 3.576 20 0 DHADRP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171133351 1031212235 /nfs/dbraw/zinc/21/22/35/1031212235.db2.gz LAUJLASMFMRSJW-GOSISDBHSA-N 2 0 306.881 3.613 20 0 DHADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139241 1031239973 /nfs/dbraw/zinc/23/99/73/1031239973.db2.gz KCONQPOVLIUVKE-UONOGXRCSA-N 2 0 313.272 3.535 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000360025395 1031244101 /nfs/dbraw/zinc/24/41/01/1031244101.db2.gz TXYFNRGAMDUWHK-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@H](c1cccnc1)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000360222068 1031333429 /nfs/dbraw/zinc/33/34/29/1031333429.db2.gz HYIWPPDSDRYADG-QGZVFWFLSA-N 2 0 301.478 3.587 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)[C@H](C)C1 ZINC000536660308 1031367916 /nfs/dbraw/zinc/36/79/16/1031367916.db2.gz DVIXDZVFJILFCS-CRAIPNDOSA-N 2 0 316.489 3.562 20 0 DHADRP FCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000777710212 1031393806 /nfs/dbraw/zinc/39/38/06/1031393806.db2.gz XGTPILZQJCLSOW-HKUYNNGSSA-N 2 0 302.437 3.605 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)[C@H]1CCCOC1 ZINC000872017522 1031396956 /nfs/dbraw/zinc/39/69/56/1031396956.db2.gz BCPHYUQPEGDFDN-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000872023334 1031404937 /nfs/dbraw/zinc/40/49/37/1031404937.db2.gz QZTSZUWLJLAVKM-VQTJNVASSA-N 2 0 318.505 3.822 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCCOC1 ZINC000872021921 1031406034 /nfs/dbraw/zinc/40/60/34/1031406034.db2.gz GEUGPGMMCLSLFX-YRXWBPOGSA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000872023336 1031406423 /nfs/dbraw/zinc/40/64/23/1031406423.db2.gz QZTSZUWLJLAVKM-WOJBJXKFSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1N(C)C ZINC000536704150 1031407036 /nfs/dbraw/zinc/40/70/36/1031407036.db2.gz RJCDIAYDAJMXIF-QZTJIDSGSA-N 2 0 317.521 3.915 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872023449 1031407408 /nfs/dbraw/zinc/40/74/08/1031407408.db2.gz RUYHFYXEJLGQTH-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC000379635986 1031415834 /nfs/dbraw/zinc/41/58/34/1031415834.db2.gz WQBZORRLTLTGBZ-OIGVQNGMSA-N 2 0 316.489 3.585 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000360428529 1031423387 /nfs/dbraw/zinc/42/33/87/1031423387.db2.gz ODBJOQCHYNZWPE-AEFFLSMTSA-N 2 0 302.462 3.530 20 0 DHADRP CC[C@H](CCC(F)(F)F)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000872044907 1031433387 /nfs/dbraw/zinc/43/33/87/1031433387.db2.gz HHIQWWFNGSHAAS-RBSFLKMASA-N 2 0 324.431 3.587 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000536842192 1031450794 /nfs/dbraw/zinc/45/07/94/1031450794.db2.gz WQEWTNVHLAFPCG-ROUUACIJSA-N 2 0 317.521 3.771 20 0 DHADRP CCCC1(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000536844237 1031453220 /nfs/dbraw/zinc/45/32/20/1031453220.db2.gz GKVZEEQCRSEHKS-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536849169 1031456139 /nfs/dbraw/zinc/45/61/39/1031456139.db2.gz APTQHUDDCUQGRE-RKVPGOIHSA-N 2 0 324.896 3.817 20 0 DHADRP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000872087902 1031483518 /nfs/dbraw/zinc/48/35/18/1031483518.db2.gz MDYKKMVMSLDMDN-LSDHHAIUSA-N 2 0 306.416 3.819 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(O)c2F)CC1 ZINC000872091258 1031487896 /nfs/dbraw/zinc/48/78/96/1031487896.db2.gz HOXMXLUCBWHXMC-CQSZACIVSA-N 2 0 308.441 3.692 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c[nH]c3c2cccc3F)CC1 ZINC001137056346 1031492396 /nfs/dbraw/zinc/49/23/96/1031492396.db2.gz RGLAPIKWJKPYNT-UHFFFAOYSA-N 2 0 317.452 3.859 20 0 DHADRP COCC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000872105257 1031496293 /nfs/dbraw/zinc/49/62/93/1031496293.db2.gz FEPMFCGICXGAJZ-HKUYNNGSSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nc1 ZINC000872156941 1031535774 /nfs/dbraw/zinc/53/57/74/1031535774.db2.gz MMEKNMXWLNPPER-QFBILLFUSA-N 2 0 301.478 3.510 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)ccn1 ZINC000872156274 1031535923 /nfs/dbraw/zinc/53/59/23/1031535923.db2.gz HEWRNOBEFNEWRL-LPHOPBHVSA-N 2 0 301.478 3.510 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1)C1CCCC1 ZINC000872156347 1031537437 /nfs/dbraw/zinc/53/74/37/1031537437.db2.gz ILCLNQZCTATIJM-AEEMCCEDSA-N 2 0 320.521 3.564 20 0 DHADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1)C1CCCC1 ZINC000872157523 1031539256 /nfs/dbraw/zinc/53/92/56/1031539256.db2.gz PFVHGIBIFMSFAO-KDOFPFPSSA-N 2 0 317.477 3.672 20 0 DHADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1)C1CCCC1 ZINC000872157524 1031539850 /nfs/dbraw/zinc/53/98/50/1031539850.db2.gz PFVHGIBIFMSFAO-KSSFIOAISA-N 2 0 317.477 3.672 20 0 DHADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000872157245 1031540168 /nfs/dbraw/zinc/54/01/68/1031540168.db2.gz NUWOJAMAJHBEGH-DOTOQJQBSA-N 2 0 321.534 3.880 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000081570885 1031548457 /nfs/dbraw/zinc/54/84/57/1031548457.db2.gz HCOZNPYEPKIUAA-HNNXBMFYSA-N 2 0 315.436 3.538 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000293777760 1031619015 /nfs/dbraw/zinc/61/90/15/1031619015.db2.gz QABZEKTVBHCFII-IFXJQAMLSA-N 2 0 318.892 3.735 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cccc(O)c1Cl ZINC000293857252 1031660409 /nfs/dbraw/zinc/66/04/09/1031660409.db2.gz ICZREPIZNGNHTI-UHFFFAOYSA-N 2 0 321.852 3.717 20 0 DHADRP C[NH+](C)CC(C)(C)CNCc1cc(Cl)ccc1OC(F)F ZINC000035054716 1031689036 /nfs/dbraw/zinc/68/90/36/1031689036.db2.gz ZNOIIOXBCKJXJK-UHFFFAOYSA-N 2 0 320.811 3.619 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc3ncccc23)C1 ZINC000873014306 1031693643 /nfs/dbraw/zinc/69/36/43/1031693643.db2.gz ORBKDNPSHCAEPA-KRWDZBQOSA-N 2 0 311.473 3.837 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000361112931 1031733513 /nfs/dbraw/zinc/73/35/13/1031733513.db2.gz WIZCVKJOJMFXBC-FQEVSTJZSA-N 2 0 310.441 3.621 20 0 DHADRP CC(C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(F)cc1 ZINC000873206733 1031761584 /nfs/dbraw/zinc/76/15/84/1031761584.db2.gz LALKBNXCCGPXPB-UHFFFAOYSA-N 2 0 304.434 3.558 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000873220245 1031765500 /nfs/dbraw/zinc/76/55/00/1031765500.db2.gz HTXQGARXWVVWAC-SNVBAGLBSA-N 2 0 320.786 3.837 20 0 DHADRP c1ccc2ncc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)cc2c1 ZINC000873232140 1031766924 /nfs/dbraw/zinc/76/69/24/1031766924.db2.gz ABYHKRLFKNGQQO-IBGZPJMESA-N 2 0 309.457 3.637 20 0 DHADRP CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)CCCO2 ZINC000873240822 1031769829 /nfs/dbraw/zinc/76/98/29/1031769829.db2.gz SIPURKBTZJHZLB-ZTFGCOKTSA-N 2 0 302.462 3.570 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000873238354 1031770701 /nfs/dbraw/zinc/77/07/01/1031770701.db2.gz XLZAXIVHTBDABQ-OAHLLOKOSA-N 2 0 310.441 3.582 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c(OCCC)c1 ZINC000873254328 1031774208 /nfs/dbraw/zinc/77/42/08/1031774208.db2.gz QQXJABUQBOUFEW-OAGGEKHMSA-N 2 0 320.477 3.652 20 0 DHADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873252365 1031775191 /nfs/dbraw/zinc/77/51/91/1031775191.db2.gz OGXBIHZOXXVORC-RDTXWAMCSA-N 2 0 324.415 3.513 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000873256419 1031777602 /nfs/dbraw/zinc/77/76/02/1031777602.db2.gz MMBPXYNLAJZRAK-CUBALJKWSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000873265448 1031779521 /nfs/dbraw/zinc/77/95/21/1031779521.db2.gz NCSGRMIWXXGGPM-ZJUUUORDSA-N 2 0 317.296 3.549 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261702 1031779692 /nfs/dbraw/zinc/77/96/92/1031779692.db2.gz QQNYPFXADBBOGD-YGTYGHESSA-N 2 0 314.473 3.538 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(C)ccc1OC ZINC000873263800 1031779759 /nfs/dbraw/zinc/77/97/59/1031779759.db2.gz KHRIYYASJGELOB-KYHPRHEASA-N 2 0 302.462 3.575 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264052 1031780292 /nfs/dbraw/zinc/78/02/92/1031780292.db2.gz NCIMRMLLNUKSRK-MUJYYYPQSA-N 2 0 304.437 3.877 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000873270472 1031784359 /nfs/dbraw/zinc/78/43/59/1031784359.db2.gz VBAJHSFGXXPGJT-RYUDHWBXSA-N 2 0 316.367 3.624 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C3CC[NH2+]CC3)c(C)c2c1 ZINC000873273092 1031785046 /nfs/dbraw/zinc/78/50/46/1031785046.db2.gz YAVZAEATPSHQBB-KBPBESRZSA-N 2 0 316.445 3.789 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000873290102 1031789022 /nfs/dbraw/zinc/78/90/22/1031789022.db2.gz OBIBBCSPDFNTBX-AEFFLSMTSA-N 2 0 324.468 3.649 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873291348 1031790644 /nfs/dbraw/zinc/79/06/44/1031790644.db2.gz KBKFLAJVRISKHX-CVEARBPZSA-N 2 0 322.518 3.584 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000846218062 1031930033 /nfs/dbraw/zinc/93/00/33/1031930033.db2.gz RTXHODYQQDEADY-UHFFFAOYSA-N 2 0 304.356 3.536 20 0 DHADRP Cc1ccc(C)c(OC2CC[NH+](CCCCCC[NH3+])CC2)c1 ZINC000846218208 1031932963 /nfs/dbraw/zinc/93/29/63/1031932963.db2.gz KPYUZVPHWZLPOU-UHFFFAOYSA-N 2 0 304.478 3.666 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000846221779 1031933732 /nfs/dbraw/zinc/93/37/32/1031933732.db2.gz OGFAODGEHMTLGM-HNNXBMFYSA-N 2 0 301.434 3.526 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898111193 1031951210 /nfs/dbraw/zinc/95/12/10/1031951210.db2.gz INFOHKNLCNIYRK-NZSAHSFTSA-N 2 0 320.521 3.721 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172654303 1033304561 /nfs/dbraw/zinc/30/45/61/1033304561.db2.gz ATMLZGOKUHNAEW-JCNLHEQBSA-N 2 0 310.526 3.965 20 0 DHADRP CC1(C)CC([NH2+]C2CC[NH+](CC3CCC3)CC2)CC(C)(C)O1 ZINC001172654268 1033305338 /nfs/dbraw/zinc/30/53/38/1033305338.db2.gz ZISKSPLDHFEBHW-UHFFFAOYSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCS[C@H](C)C3)CC2)C1 ZINC000927028919 1033339349 /nfs/dbraw/zinc/33/93/49/1033339349.db2.gz BSPZCYGUADQKCB-AHCXZYCDSA-N 2 0 310.551 3.903 20 0 DHADRP Brc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522342 1033339889 /nfs/dbraw/zinc/33/98/89/1033339889.db2.gz LWUCEOUBXOGUHO-GOEBONIOSA-N 2 0 323.278 3.558 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001172708859 1033344159 /nfs/dbraw/zinc/34/41/59/1033344159.db2.gz NVTSECXYTVWSIU-LJQANCHMSA-N 2 0 314.860 3.659 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C[C@@](C)(C[NH3+])C1 ZINC001172709762 1033345434 /nfs/dbraw/zinc/34/54/34/1033345434.db2.gz FFVBJRSKKNKEIB-ZIFCJYIRSA-N 2 0 320.908 3.941 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC001172710625 1033346090 /nfs/dbraw/zinc/34/60/90/1033346090.db2.gz ZFABNDAHFDBUPV-LJQANCHMSA-N 2 0 314.860 3.659 20 0 DHADRP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172831517 1033394906 /nfs/dbraw/zinc/39/49/06/1033394906.db2.gz OMFBSDLLIFHQLA-HXUWFJFHSA-N 2 0 300.490 3.659 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)CC2 ZINC001172833539 1033396623 /nfs/dbraw/zinc/39/66/23/1033396623.db2.gz ZJDPHJFLBWTFOS-NRFANRHFSA-N 2 0 312.501 3.706 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172837017 1033398226 /nfs/dbraw/zinc/39/82/26/1033398226.db2.gz YDWSIMTYDJWFRL-PXNSSMCTSA-N 2 0 302.506 3.952 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)CC2 ZINC001172842602 1033412048 /nfs/dbraw/zinc/41/20/48/1033412048.db2.gz NQPNXLVCHOMXIX-SVFBPWRDSA-N 2 0 314.517 3.986 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001172846642 1033418452 /nfs/dbraw/zinc/41/84/52/1033418452.db2.gz WUWPFIFJCWDBRX-FQUUOJAGSA-N 2 0 310.844 3.625 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001172848719 1033420681 /nfs/dbraw/zinc/42/06/81/1033420681.db2.gz WEPFRJUFGQNQPM-CYBMUJFWSA-N 2 0 324.871 3.874 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[NH+]1CCCC1 ZINC001172861102 1033431445 /nfs/dbraw/zinc/43/14/45/1033431445.db2.gz HJPZQYZYBMLADE-AWEZNQCLSA-N 2 0 312.860 3.876 20 0 DHADRP CN(C)c1cc[nH+]cc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212687922 1033440791 /nfs/dbraw/zinc/44/07/91/1033440791.db2.gz UYBAMHYMDWWSIN-UHFFFAOYSA-N 2 0 310.445 3.700 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534016 1033461977 /nfs/dbraw/zinc/46/19/77/1033461977.db2.gz JQVTUMMLOKYTHC-QFBILLFUSA-N 2 0 316.489 3.904 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643535158 1033467959 /nfs/dbraw/zinc/46/79/59/1033467959.db2.gz JSTVYKUKJZXGJZ-HKUYNNGSSA-N 2 0 314.473 3.755 20 0 DHADRP Cc1ccc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536368 1033474637 /nfs/dbraw/zinc/47/46/37/1033474637.db2.gz TYQXZLPXLZSONT-PMACEKPBSA-N 2 0 306.453 3.816 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[C@H](C(C)(C)O)CC2)CC1 ZINC001173103546 1033539958 /nfs/dbraw/zinc/53/99/58/1033539958.db2.gz LQGIRSCXODDIFT-MJYONLJCSA-N 2 0 310.526 3.559 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](C)c2ccc(O)cc2)CC1 ZINC001173102592 1033540246 /nfs/dbraw/zinc/54/02/46/1033540246.db2.gz ALAOYXFOOJEECT-FAEJEUNOSA-N 2 0 304.478 3.738 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001173104408 1033542575 /nfs/dbraw/zinc/54/25/75/1033542575.db2.gz NRFRVRZWNADZMO-MKQGEQSTSA-N 3 0 323.569 3.773 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3ocnc3c2)CC1 ZINC001173107800 1033544788 /nfs/dbraw/zinc/54/47/88/1033544788.db2.gz NLSOPKZKQMLOSE-UHFFFAOYSA-N 2 0 301.434 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)COc2ccccc2)CC1 ZINC001173107423 1033545570 /nfs/dbraw/zinc/54/55/70/1033545570.db2.gz QVUCJTRKWASBFL-WWDZGPRUSA-N 2 0 304.478 3.697 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCC2CCC(OC)CC2)CC1 ZINC001173107192 1033546348 /nfs/dbraw/zinc/54/63/48/1033546348.db2.gz KZJUOTJMKPZXTE-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cc(OC)ccc3C2)CC1 ZINC001173108058 1033545998 /nfs/dbraw/zinc/54/59/98/1033545998.db2.gz CVMWCFZONFBRIW-UHFFFAOYSA-N 2 0 316.489 3.706 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccc(OC)cc3C2)CC1 ZINC001173114572 1033547311 /nfs/dbraw/zinc/54/73/11/1033547311.db2.gz POJZYRFMDWYGGS-UHFFFAOYSA-N 2 0 302.462 3.664 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)Cc2nc3ccccc3o2)CC1 ZINC001173113539 1033547685 /nfs/dbraw/zinc/54/76/85/1033547685.db2.gz SXXITRFVROBZBK-UHFFFAOYSA-N 2 0 315.461 3.913 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3ncccc3C)CC2)CC1 ZINC001173111020 1033549274 /nfs/dbraw/zinc/54/92/74/1033549274.db2.gz WYQJMUFYSQZPBE-UHFFFAOYSA-N 2 0 315.505 3.664 20 0 DHADRP [NH3+]Cc1ccccc1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173200832 1033592251 /nfs/dbraw/zinc/59/22/51/1033592251.db2.gz QNSOGDPOSDLGIS-UHFFFAOYSA-N 2 0 310.441 3.625 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878159434 1033601114 /nfs/dbraw/zinc/60/11/14/1033601114.db2.gz LRXQSUWBYDUNEW-YSIASYRMSA-N 2 0 316.489 3.570 20 0 DHADRP CCc1ccc(C[C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001173249029 1033621931 /nfs/dbraw/zinc/62/19/31/1033621931.db2.gz XLAPBIDKZUWWDF-SFHVURJKSA-N 2 0 314.517 3.988 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001173272250 1033642853 /nfs/dbraw/zinc/64/28/53/1033642853.db2.gz UJXZLWNSPVYCLB-NVXWUHKLSA-N 2 0 302.462 3.524 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001173237557 1033644759 /nfs/dbraw/zinc/64/47/59/1033644759.db2.gz BNPMEPNITQWBMG-QGZVFWFLSA-N 2 0 323.484 3.834 20 0 DHADRP CCSC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001173305489 1033659277 /nfs/dbraw/zinc/65/92/77/1033659277.db2.gz VOWKXXQHEAABRT-WDSOQIARSA-N 2 0 318.530 3.500 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411395 1033694731 /nfs/dbraw/zinc/69/47/31/1033694731.db2.gz JFECUHBEMCTPRE-GVDBMIGSSA-N 2 0 322.537 3.823 20 0 DHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCC1CC1)c1ccccc1O2 ZINC000553491792 1033708541 /nfs/dbraw/zinc/70/85/41/1033708541.db2.gz PQIFHOZQZSADAV-SFHVURJKSA-N 2 0 314.473 3.754 20 0 DHADRP CCSC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173315653 1033709355 /nfs/dbraw/zinc/70/93/55/1033709355.db2.gz RWVOUOMSZDFWAX-UHOSZYNNSA-N 2 0 318.530 3.582 20 0 DHADRP CCCC[C@@H]([NH3+])Cc1cn([C@H]2CC[N@H+](CC)C2)c2ccccc12 ZINC001173352941 1033710109 /nfs/dbraw/zinc/71/01/09/1033710109.db2.gz GXEZUHXOMFSHBC-MSOLQXFVSA-N 2 0 313.489 3.968 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CC[C@H]3CCCC3(F)F)C2)CC1 ZINC000878549425 1033748860 /nfs/dbraw/zinc/74/88/60/1033748860.db2.gz JXKSMSUJODSGOG-OAHLLOKOSA-N 2 0 300.437 3.620 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCSCC[NH3+] ZINC001173553484 1033769805 /nfs/dbraw/zinc/76/98/05/1033769805.db2.gz YOGBXJVOWMGBGY-LLVKDONJSA-N 2 0 321.317 3.596 20 0 DHADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[PH+](C(C)C)C(C)C)C1 ZINC001173632349 1033800148 /nfs/dbraw/zinc/80/01/48/1033800148.db2.gz LLSHUPNTNJYJHD-HZPDHXFCSA-N 2 0 315.438 3.997 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCCCC2 ZINC000479549237 1033807097 /nfs/dbraw/zinc/80/70/97/1033807097.db2.gz GCBUQSTZNYGXIO-WZOJCFFYSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000862352728 1033825480 /nfs/dbraw/zinc/82/54/80/1033825480.db2.gz LDFXEWNNSUXOFI-YJBOKZPZSA-N 2 0 322.443 3.922 20 0 DHADRP CC(C)([NH3+])C(C)(C)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173685252 1033827991 /nfs/dbraw/zinc/82/79/91/1033827991.db2.gz OLTHZZDJIYPSQT-UHFFFAOYSA-N 2 0 300.490 3.919 20 0 DHADRP Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000173949426 1033893471 /nfs/dbraw/zinc/89/34/71/1033893471.db2.gz VSMMASOPXJLEQY-KRWDZBQOSA-N 2 0 309.457 3.705 20 0 DHADRP COc1cc2c(NCC3([NH+](C)C)CCCC3)cc[nH+]c2cc1F ZINC000479922671 1033953199 /nfs/dbraw/zinc/95/31/99/1033953199.db2.gz HZHQQJXQIBLOCR-UHFFFAOYSA-N 2 0 317.408 3.669 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000554088276 1033960183 /nfs/dbraw/zinc/96/01/83/1033960183.db2.gz IPPBGSIKQMQCGF-AEFFLSMTSA-N 2 0 304.453 3.769 20 0 DHADRP COCC[C@@H](c1ccccc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249822 1033964902 /nfs/dbraw/zinc/96/49/02/1033964902.db2.gz CEINIMSWHPZQSO-IBGZPJMESA-N 2 0 316.489 3.572 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000554120941 1033975018 /nfs/dbraw/zinc/97/50/18/1033975018.db2.gz WQDYRKTWSWFXFS-RBUKOAKNSA-N 2 0 316.489 3.697 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000119439426 1034079369 /nfs/dbraw/zinc/07/93/69/1034079369.db2.gz RBSXFDVFXNRGAK-HNNXBMFYSA-N 2 0 312.457 3.668 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863546588 1034126409 /nfs/dbraw/zinc/12/64/09/1034126409.db2.gz GLXQOPXJIQFIHY-SGTLLEGYSA-N 2 0 315.848 3.840 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+](CC)CC)o1 ZINC000155924705 1034168874 /nfs/dbraw/zinc/16/88/74/1034168874.db2.gz HAMQTXPPNDNGKF-UHFFFAOYSA-N 2 0 300.446 3.974 20 0 DHADRP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667671828 1034238669 /nfs/dbraw/zinc/23/86/69/1034238669.db2.gz AUWCXZKWRLQEFT-OXJNMPFZSA-N 2 0 318.424 3.645 20 0 DHADRP c1ccc2c(c1)cccc2CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207938 1034245302 /nfs/dbraw/zinc/24/53/02/1034245302.db2.gz CRTDNDOEGMJGQK-FQEVSTJZSA-N 2 0 324.468 3.573 20 0 DHADRP CCCOc1ccc(CN2CC[C@@H](C[N@H+](C)CC)C2)c(C)c1 ZINC000667681699 1034279787 /nfs/dbraw/zinc/27/97/87/1034279787.db2.gz PBDKEVRQEUWYFW-KRWDZBQOSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000554734269 1034293053 /nfs/dbraw/zinc/29/30/53/1034293053.db2.gz IDRMPFYMPQXYKS-HRAATJIYSA-N 2 0 324.468 3.965 20 0 DHADRP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C(C)(C)C)cc1 ZINC000554747578 1034311238 /nfs/dbraw/zinc/31/12/38/1034311238.db2.gz PHTKDSCDOOUWKS-KRWDZBQOSA-N 2 0 304.478 3.780 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000480601029 1034331538 /nfs/dbraw/zinc/33/15/38/1034331538.db2.gz NDBHDCQZBQCLRR-XLIONFOSSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000480608226 1034339741 /nfs/dbraw/zinc/33/97/41/1034339741.db2.gz BYVJWZLHZHSVFF-KXBFYZLASA-N 2 0 304.453 3.915 20 0 DHADRP CC1([NH+]2CCC2)CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000880474477 1034344941 /nfs/dbraw/zinc/34/49/41/1034344941.db2.gz ZDGHNSKUKUQRRQ-UHFFFAOYSA-N 2 0 318.427 3.915 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000480628777 1034348457 /nfs/dbraw/zinc/34/84/57/1034348457.db2.gz ZMMBYHRPXZMFRR-OXJNMPFZSA-N 2 0 316.489 3.927 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(C2CCCCC2)s1 ZINC000554889098 1034394762 /nfs/dbraw/zinc/39/47/62/1034394762.db2.gz GCUVXHARBYDTIL-RHSMWYFYSA-N 2 0 321.534 3.963 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3([C@H]4CCCCO4)CC3)CC2)C1 ZINC000927161714 1034400045 /nfs/dbraw/zinc/40/00/45/1034400045.db2.gz QZNRSZTYOPXLLW-NZSAHSFTSA-N 2 0 320.521 3.721 20 0 DHADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000480786385 1034454162 /nfs/dbraw/zinc/45/41/62/1034454162.db2.gz MLQUJTPPBATBHD-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1cc(NC2CC([NH+]3CCCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000480841353 1034470643 /nfs/dbraw/zinc/47/06/43/1034470643.db2.gz HMKLEMLWHBWAIY-UHFFFAOYSA-N 2 0 313.420 3.533 20 0 DHADRP Cc1ccc(CC2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168365165 1034540156 /nfs/dbraw/zinc/54/01/56/1034540156.db2.gz MXZPQXCQJIHJIV-UHFFFAOYSA-N 2 0 312.501 3.782 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000481024491 1034557417 /nfs/dbraw/zinc/55/74/17/1034557417.db2.gz OUEIZHRNTDOOGS-AZUAARDMSA-N 2 0 300.490 3.638 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000481055970 1034571630 /nfs/dbraw/zinc/57/16/30/1034571630.db2.gz UWYYAJQTNVDPHF-HKUYNNGSSA-N 2 0 306.469 3.714 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186405237 1034627292 /nfs/dbraw/zinc/62/72/92/1034627292.db2.gz PBMLGVGLDJVCMS-LJQANCHMSA-N 2 0 301.478 3.643 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000481183817 1034636407 /nfs/dbraw/zinc/63/64/07/1034636407.db2.gz SOKHRVUXOMKPNM-QFBILLFUSA-N 2 0 318.480 3.957 20 0 DHADRP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000186844352 1034666819 /nfs/dbraw/zinc/66/68/19/1034666819.db2.gz YBLINWZLKLROAF-ARFHVFGLSA-N 2 0 312.379 3.549 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000186838621 1034666998 /nfs/dbraw/zinc/66/69/98/1034666998.db2.gz SRXFNZMLYHERSC-VNQPRFMTSA-N 2 0 314.395 3.652 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCS2 ZINC000186993879 1034676987 /nfs/dbraw/zinc/67/69/87/1034676987.db2.gz YPJWVYPERHYOBY-QAPCUYQASA-N 2 0 316.514 3.914 20 0 DHADRP CCCC[N@H+](CCOCC(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984531 1034747070 /nfs/dbraw/zinc/74/70/70/1034747070.db2.gz RKDQOYPOASUKET-UHFFFAOYSA-N 2 0 320.468 3.679 20 0 DHADRP C(COC1CCCCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000481428611 1034828197 /nfs/dbraw/zinc/82/81/97/1034828197.db2.gz ARBNGVQHFBHVMR-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)(C)C)CC2)cc1 ZINC000481719642 1034945776 /nfs/dbraw/zinc/94/57/76/1034945776.db2.gz TVEDXVVHXACZFL-INIZCTEOSA-N 2 0 318.505 3.931 20 0 DHADRP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000481731231 1034955788 /nfs/dbraw/zinc/95/57/88/1034955788.db2.gz CEUWCRDXRVSXLB-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP CCN1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481912861 1035032928 /nfs/dbraw/zinc/03/29/28/1035032928.db2.gz ZLKANCLQPAHEKJ-HIFRSBDPSA-N 2 0 314.395 3.710 20 0 DHADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000482170541 1035062925 /nfs/dbraw/zinc/06/29/25/1035062925.db2.gz NDIWAMBHVJCHFV-LWYYNNOASA-N 2 0 322.537 3.943 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000482250623 1035073942 /nfs/dbraw/zinc/07/39/42/1035073942.db2.gz SLPGTFSUZNURFW-QWHCGFSZSA-N 2 0 315.288 3.998 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001175769500 1035115205 /nfs/dbraw/zinc/11/52/05/1035115205.db2.gz RWHMYUHOWCJLFZ-GOSISDBHSA-N 2 0 323.484 3.991 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2OCC)CC1 ZINC000482518059 1035124899 /nfs/dbraw/zinc/12/48/99/1035124899.db2.gz HLBDCLJHANXYST-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1C ZINC000194413302 1035140221 /nfs/dbraw/zinc/14/02/21/1035140221.db2.gz SRTSTOCAVLWMTO-FUHWJXTLSA-N 2 0 316.489 3.746 20 0 DHADRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194472404 1035164520 /nfs/dbraw/zinc/16/45/20/1035164520.db2.gz ZQJJZDVZYIZIGK-GFCCVEGCSA-N 2 0 309.866 3.590 20 0 DHADRP CCCOc1ccc(C[N@H+](C)CCCn2ccnc2)c(C)c1 ZINC000668167512 1035201216 /nfs/dbraw/zinc/20/12/16/1035201216.db2.gz CDUZSMFAOKXCLG-UHFFFAOYSA-N 2 0 301.434 3.502 20 0 DHADRP CCc1cccc2cc(C[N@H+](C)[C@@H]3CCN(C)C[C@H]3C)oc21 ZINC000668172195 1035204065 /nfs/dbraw/zinc/20/40/65/1035204065.db2.gz HGSOLXNPDSUOGQ-RDTXWAMCSA-N 2 0 300.446 3.767 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2cc(C)cc(C)c2)C1 ZINC000483059578 1035221668 /nfs/dbraw/zinc/22/16/68/1035221668.db2.gz MLBAINDQVFYHOH-IBGZPJMESA-N 2 0 318.505 3.736 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000484299079 1035328076 /nfs/dbraw/zinc/32/80/76/1035328076.db2.gz ZPYDEIJVHAADRU-UZLBHIALSA-N 2 0 314.473 3.847 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000484300800 1035328790 /nfs/dbraw/zinc/32/87/90/1035328790.db2.gz SNCMJJKRIUBKQA-QAPCUYQASA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000484313889 1035328924 /nfs/dbraw/zinc/32/89/24/1035328924.db2.gz VCFHETPFZZKWTF-ZSAUSMIDSA-N 2 0 306.416 3.673 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000484505723 1035348373 /nfs/dbraw/zinc/34/83/73/1035348373.db2.gz VSKITCCOIALGOY-FCEWJHQRSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC001177262250 1035362179 /nfs/dbraw/zinc/36/21/79/1035362179.db2.gz RLFFDIPQAUZAFT-HLIPFELVSA-N 2 0 316.489 3.576 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccc3c2OCC3)c1 ZINC001177315281 1035362876 /nfs/dbraw/zinc/36/28/76/1035362876.db2.gz SEKBYBFALIZBHO-UHFFFAOYSA-N 2 0 324.468 3.753 20 0 DHADRP Cc1cccc(C)c1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001177318914 1035364062 /nfs/dbraw/zinc/36/40/62/1035364062.db2.gz KGXDRJHUVAHZNR-UHFFFAOYSA-N 2 0 312.457 3.534 20 0 DHADRP C(CC[NH2+]Cc1nc2c(s1)CCCC2)CC[NH+]1CCCCC1 ZINC001177678664 1035386703 /nfs/dbraw/zinc/38/67/03/1035386703.db2.gz DBIAFPFLACECFQ-UHFFFAOYSA-N 2 0 321.534 3.768 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC001177784187 1035392273 /nfs/dbraw/zinc/39/22/73/1035392273.db2.gz KPSLIJNVOUKOHD-VQIMIIECSA-N 2 0 318.505 3.584 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000904389830 1035408173 /nfs/dbraw/zinc/40/81/73/1035408173.db2.gz WGNCKVBFMPILLP-LBPRGKRZSA-N 2 0 304.434 3.692 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139711 1035415745 /nfs/dbraw/zinc/41/57/45/1035415745.db2.gz ITUNUICBRXEJTE-DOTOQJQBSA-N 2 0 300.471 3.921 20 0 DHADRP Cc1ccc(C)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904476973 1035418386 /nfs/dbraw/zinc/41/83/86/1035418386.db2.gz VQRGDWKUFKIRBJ-PZJWPPBQSA-N 2 0 322.452 3.649 20 0 DHADRP CC(C)([NH3+])c1ccc(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000904477356 1035418483 /nfs/dbraw/zinc/41/84/83/1035418483.db2.gz UQUVNYLCZOAHOK-RTBURBONSA-N 2 0 309.457 3.786 20 0 DHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)CC(C)C)CC1 ZINC001178272319 1035419871 /nfs/dbraw/zinc/41/98/71/1035419871.db2.gz OYRJTQPAXBPVTL-GOSISDBHSA-N 2 0 317.521 3.743 20 0 DHADRP CC(C)(C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC001178305251 1035421989 /nfs/dbraw/zinc/42/19/89/1035421989.db2.gz WUWXQYQEKWDAEQ-UHFFFAOYSA-N 2 0 323.484 3.865 20 0 DHADRP CC[C@@H]1CCC[C@H](C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001179636385 1035489036 /nfs/dbraw/zinc/48/90/36/1035489036.db2.gz DTWPQFDLMWOLDJ-AOIWGVFYSA-N 2 0 303.494 3.880 20 0 DHADRP C[C@H]1CC[N@H+](Cc2c(Cl)ccc(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205617290 1035523941 /nfs/dbraw/zinc/52/39/41/1035523941.db2.gz ITRVTSFBFAKIKL-WDEREUQCSA-N 2 0 319.251 3.939 20 0 DHADRP C[C@@H](c1nccc2ccccc21)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001180082991 1035591915 /nfs/dbraw/zinc/59/19/15/1035591915.db2.gz VKPXVWCOIIFBNJ-FUHWJXTLSA-N 2 0 323.484 3.960 20 0 DHADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000494517267 1035604719 /nfs/dbraw/zinc/60/47/19/1035604719.db2.gz ZAFQZUZFOUXDIV-JCHJZTRSSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001168466360 1035614802 /nfs/dbraw/zinc/61/48/02/1035614802.db2.gz CRPWUVASCDXLMK-MRXNPFEDSA-N 2 0 318.480 3.858 20 0 DHADRP CCCC(CCC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001180310269 1035641594 /nfs/dbraw/zinc/64/15/94/1035641594.db2.gz BWAFLOBLPQSIIQ-HXUWFJFHSA-N 2 0 318.505 3.702 20 0 DHADRP c1cc2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc2o1 ZINC000668482498 1035646313 /nfs/dbraw/zinc/64/63/13/1035646313.db2.gz MXOVWXQKJWOQEU-UHFFFAOYSA-N 2 0 307.397 3.586 20 0 DHADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cnn1C(C)C ZINC000191178979 1035665310 /nfs/dbraw/zinc/66/53/10/1035665310.db2.gz HYVCKXMMPORGEA-KRWDZBQOSA-N 2 0 320.525 3.935 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cnn1C(C)C ZINC000191293457 1035676178 /nfs/dbraw/zinc/67/61/78/1035676178.db2.gz JBMYONVELIXSPT-RHSMWYFYSA-N 2 0 308.514 3.789 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000191556101 1035697880 /nfs/dbraw/zinc/69/78/80/1035697880.db2.gz SMIFOPWBCLLQOT-WOSRLPQWSA-N 2 0 314.395 3.832 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000379764377 1035708680 /nfs/dbraw/zinc/70/86/80/1035708680.db2.gz GSUWPKURIYKYCY-PKOBYXMFSA-N 2 0 324.468 3.955 20 0 DHADRP Cc1ccc([C@H](CC(F)(F)F)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC001180593942 1035728979 /nfs/dbraw/zinc/72/89/79/1035728979.db2.gz QFPJVIUJAJRFKK-INIZCTEOSA-N 2 0 314.395 3.920 20 0 DHADRP COCCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC001180742187 1035752380 /nfs/dbraw/zinc/75/23/80/1035752380.db2.gz WPBVRULUKJQJLW-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP COCCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC001180742200 1035752642 /nfs/dbraw/zinc/75/26/42/1035752642.db2.gz WPBVRULUKJQJLW-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000494642937 1035758212 /nfs/dbraw/zinc/75/82/12/1035758212.db2.gz LMBSUFLUIHBRLX-NSHGMRRFSA-N 2 0 318.505 3.720 20 0 DHADRP C[C@H](CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)[NH+]1CCCCC1 ZINC001180812438 1035767683 /nfs/dbraw/zinc/76/76/83/1035767683.db2.gz ZTVSRQPRKNGLMU-IXDOHACOSA-N 2 0 310.526 3.823 20 0 DHADRP CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001180801089 1035768403 /nfs/dbraw/zinc/76/84/03/1035768403.db2.gz FGEWIWMYRLYCFF-FFZOFVMBSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)c1 ZINC000906157624 1035779847 /nfs/dbraw/zinc/77/98/47/1035779847.db2.gz FYQMGNRAXIEKNN-BEFAXECRSA-N 2 0 322.456 3.552 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001168467772 1035797852 /nfs/dbraw/zinc/79/78/52/1035797852.db2.gz KZKWPWIMVWOURM-OAHLLOKOSA-N 2 0 306.469 3.857 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192930037 1035824261 /nfs/dbraw/zinc/82/42/61/1035824261.db2.gz LFYLHAPKIAHGDL-PDGUBNMISA-N 2 0 324.443 3.951 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000151433557 1035839102 /nfs/dbraw/zinc/83/91/02/1035839102.db2.gz XAUVFMBZHQDSIV-UHFFFAOYSA-N 2 0 317.452 3.976 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000485715609 1035901664 /nfs/dbraw/zinc/90/16/64/1035901664.db2.gz ZPKMHONTTGLTKU-CYBMUJFWSA-N 2 0 303.475 3.821 20 0 DHADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000539849225 1035902427 /nfs/dbraw/zinc/90/24/27/1035902427.db2.gz COKJNJUQSFZUDT-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP C[C@@H](CCOCc1ccccc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001181427273 1035908871 /nfs/dbraw/zinc/90/88/71/1035908871.db2.gz LLLZCKUSBOZOQZ-SFHVURJKSA-N 2 0 318.505 3.693 20 0 DHADRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@H](C)C1 ZINC001205663319 1035928577 /nfs/dbraw/zinc/92/85/77/1035928577.db2.gz HJEZCPQBWDHABZ-ZDUSSCGKSA-N 2 0 307.507 3.541 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000753653625 1036007933 /nfs/dbraw/zinc/00/79/33/1036007933.db2.gz JVBMUJARZZCGFQ-INIZCTEOSA-N 2 0 304.478 3.695 20 0 DHADRP Cc1cc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261981 1036026531 /nfs/dbraw/zinc/02/65/31/1036026531.db2.gz UPIQQPCPEPXDJC-IFXJQAMLSA-N 2 0 302.437 3.659 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000540363057 1036050075 /nfs/dbraw/zinc/05/00/75/1036050075.db2.gz MSSVHFVNQYSAFX-WMZOPIPTSA-N 2 0 304.478 3.999 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000668586556 1036131682 /nfs/dbraw/zinc/13/16/82/1036131682.db2.gz DYZSVLSDZJEOKC-AEFFLSMTSA-N 2 0 316.489 3.710 20 0 DHADRP CC[C@@H](Nc1ccc(N2CC[NH+](CC)CC2)cc1C)C1CC1 ZINC000540707626 1036133060 /nfs/dbraw/zinc/13/30/60/1036133060.db2.gz LAWHWRDVXRNCRB-GOSISDBHSA-N 2 0 301.478 3.737 20 0 DHADRP C(=C\c1ccncc1)\CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000494944436 1036133213 /nfs/dbraw/zinc/13/32/13/1036133213.db2.gz BJIUNEPZEYRUGU-BPJPHKDRSA-N 2 0 313.489 3.683 20 0 DHADRP C(=C/c1ccncc1)\CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000494944439 1036133820 /nfs/dbraw/zinc/13/38/20/1036133820.db2.gz BJIUNEPZEYRUGU-ZEZYUPADSA-N 2 0 313.489 3.683 20 0 DHADRP c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)C2 ZINC000541059060 1036227828 /nfs/dbraw/zinc/22/78/28/1036227828.db2.gz BTZYSPIOPHYCHW-OALUTQOASA-N 2 0 312.501 3.599 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc[nH]1 ZINC000774266284 1036269804 /nfs/dbraw/zinc/26/98/04/1036269804.db2.gz JYIKIHQLWVCJDA-DSLXNQLJSA-N 2 0 309.457 3.861 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000774494029 1036360681 /nfs/dbraw/zinc/36/06/81/1036360681.db2.gz BXMNMKZOWMHNBV-HNNXBMFYSA-N 2 0 302.462 3.610 20 0 DHADRP CC(C)(C[NH2+]Cc1cc2ccc(F)cc2[nH]1)C[NH+]1CCCC1 ZINC000486706320 1036368623 /nfs/dbraw/zinc/36/86/23/1036368623.db2.gz YLKZKHCZRYRIAK-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC000122443795 1036376866 /nfs/dbraw/zinc/37/68/66/1036376866.db2.gz RSKHKJKPAMJMMK-UHFFFAOYSA-N 2 0 312.910 3.896 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000541588171 1036380622 /nfs/dbraw/zinc/38/06/22/1036380622.db2.gz UTGKZFYUCSKXOO-AZUAARDMSA-N 2 0 300.490 3.673 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)[C@H](c2ccccc2)C1 ZINC001182544980 1036384574 /nfs/dbraw/zinc/38/45/74/1036384574.db2.gz SXHXRCUIBSJPMT-CZYKHXBRSA-N 2 0 320.480 3.725 20 0 DHADRP CC[C@@]1(C)CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001182545433 1036384638 /nfs/dbraw/zinc/38/46/38/1036384638.db2.gz WHHOXGHWJGQBPT-WCIQWLHISA-N 2 0 300.490 3.890 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CCSC2)C1 ZINC000486935489 1036476262 /nfs/dbraw/zinc/47/62/62/1036476262.db2.gz JHZPNCODPMQCGA-IAGOWNOFSA-N 2 0 318.530 3.761 20 0 DHADRP CC1CCN([C@H](C[NH2+]C[C@H]2CCSC2)c2ccccc2)CC1 ZINC000486961997 1036489632 /nfs/dbraw/zinc/48/96/32/1036489632.db2.gz XKJUZOVWTGUNFO-IEBWSBKVSA-N 2 0 318.530 3.802 20 0 DHADRP CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC001204358818 1036493911 /nfs/dbraw/zinc/49/39/11/1036493911.db2.gz MGUCUKVGKPHNAQ-MAUKXSAKSA-N 2 0 304.478 3.957 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC3 ZINC000491364758 1036560445 /nfs/dbraw/zinc/56/04/45/1036560445.db2.gz AXOOOQXUGMNDHA-HNNXBMFYSA-N 2 0 313.489 3.511 20 0 DHADRP C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000495369598 1036579533 /nfs/dbraw/zinc/57/95/33/1036579533.db2.gz UKSYTEHNZQYZRI-HKMNZKMDSA-N 2 0 324.468 3.991 20 0 DHADRP Cc1ccc(CC[NH2+]C[C@H]2CCN2C2CCCCCC2)cc1 ZINC001183380048 1036590257 /nfs/dbraw/zinc/59/02/57/1036590257.db2.gz XNXCRGTWQQCWOK-HXUWFJFHSA-N 2 0 300.490 3.924 20 0 DHADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491545456 1036600235 /nfs/dbraw/zinc/60/02/35/1036600235.db2.gz LEEQVRCJCARQKK-MAUPQMMJSA-N 2 0 314.395 3.896 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C[NH+](C)C ZINC000491590835 1036614375 /nfs/dbraw/zinc/61/43/75/1036614375.db2.gz FELFCEYOIREFNJ-ZDUSSCGKSA-N 2 0 306.450 3.842 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413539 1036626767 /nfs/dbraw/zinc/62/67/67/1036626767.db2.gz DUFPQQCGSHOYJX-NXHRZFHOSA-N 2 0 322.537 3.965 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487274983 1036633882 /nfs/dbraw/zinc/63/38/82/1036633882.db2.gz PAJKKGXANSEYKL-YZPMEYCISA-N 2 0 301.478 3.585 20 0 DHADRP Clc1ccc(CC[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000668784006 1036695184 /nfs/dbraw/zinc/69/51/84/1036695184.db2.gz YWJZYDPCIOSTRG-UHFFFAOYSA-N 2 0 306.881 3.594 20 0 DHADRP C[C@@H]([NH2+]CCSC(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000089516407 1036751471 /nfs/dbraw/zinc/75/14/71/1036751471.db2.gz YIRCKLFYGSRJBB-OAHLLOKOSA-N 2 0 324.534 3.809 20 0 DHADRP C[NH+](C)CC(C)(C)C[N@H+](C)CCc1ccc(F)cc1Cl ZINC001184195738 1036781627 /nfs/dbraw/zinc/78/16/27/1036781627.db2.gz AATRCTFEYPPXRI-UHFFFAOYSA-N 2 0 300.849 3.541 20 0 DHADRP Cc1cccc(C[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001184313909 1036796280 /nfs/dbraw/zinc/79/62/80/1036796280.db2.gz BZRQJYGHANMPHO-QGZVFWFLSA-N 2 0 309.457 3.580 20 0 DHADRP C[C@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001205296667 1036837757 /nfs/dbraw/zinc/83/77/57/1036837757.db2.gz SHTPZHQEWBATTC-JSGCOSHPSA-N 2 0 315.288 3.843 20 0 DHADRP CC(C)CSCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492602035 1036941747 /nfs/dbraw/zinc/94/17/47/1036941747.db2.gz NLCFWZKROXCHHC-PKOBYXMFSA-N 2 0 320.546 3.876 20 0 DHADRP CC(C)C1CC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000488434660 1037017328 /nfs/dbraw/zinc/01/73/28/1037017328.db2.gz JRRJJNDWMNMHCZ-HDYDNRTBSA-N 2 0 300.490 3.575 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CS1 ZINC000488437068 1037023085 /nfs/dbraw/zinc/02/30/85/1037023085.db2.gz YFTBWZUITOVZNX-WBVHZDCISA-N 2 0 310.482 3.507 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488451561 1037032356 /nfs/dbraw/zinc/03/23/56/1037032356.db2.gz VMIUNMYWDGNXDD-IKGGRYGDSA-N 2 0 312.567 3.864 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000492849373 1037041055 /nfs/dbraw/zinc/04/10/55/1037041055.db2.gz BNKBNRGFAHYNGW-UHFFFAOYSA-N 2 0 306.469 3.812 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C12CCCC2 ZINC000315816606 1037059395 /nfs/dbraw/zinc/05/93/95/1037059395.db2.gz IZTPSUWRZZPTQX-FGTMMUONSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000513753102 1037099471 /nfs/dbraw/zinc/09/94/71/1037099471.db2.gz AFBLIDGUMKYABK-HSBZDZAISA-N 2 0 312.404 3.811 20 0 DHADRP COc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(C)c1 ZINC001198907843 1037170603 /nfs/dbraw/zinc/17/06/03/1037170603.db2.gz HUDFAKJXSMHPJV-UHFFFAOYSA-N 2 0 304.478 3.748 20 0 DHADRP CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001199045515 1037188048 /nfs/dbraw/zinc/18/80/48/1037188048.db2.gz IGQDXNMLNVKTHU-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CCO1 ZINC001199028470 1037192784 /nfs/dbraw/zinc/19/27/84/1037192784.db2.gz XYVOSKAWKDGONB-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000310367951 1037228717 /nfs/dbraw/zinc/22/87/17/1037228717.db2.gz WCYOFHISOAFJHY-YLJYHZDGSA-N 2 0 324.468 3.838 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCCC2)[C@H](C)C1 ZINC000177343177 1037229367 /nfs/dbraw/zinc/22/93/67/1037229367.db2.gz IMFTWOHPGSRVNI-AOIWGVFYSA-N 2 0 310.526 3.682 20 0 DHADRP CCCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000322919028 1037259394 /nfs/dbraw/zinc/25/93/94/1037259394.db2.gz LMIXWKMIDCHXOS-YQQQUEKLSA-N 2 0 316.489 3.970 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000924843702 1037268850 /nfs/dbraw/zinc/26/88/50/1037268850.db2.gz LYOKJEFJPIDLAF-OAHLLOKOSA-N 2 0 316.489 3.582 20 0 DHADRP C[C@@H](C[NH2+]C/C=C/c1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC001199580799 1037285685 /nfs/dbraw/zinc/28/56/85/1037285685.db2.gz ALWHXXDSHAOHGE-NFAHFFEMSA-N 2 0 308.416 3.690 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001199758696 1037331318 /nfs/dbraw/zinc/33/13/18/1037331318.db2.gz ALILHHRPZIIKJK-XMTFNYHQSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001205901549 1037440008 /nfs/dbraw/zinc/44/00/08/1037440008.db2.gz DDZVBAKENWPZMQ-AAEUAGOBSA-N 2 0 318.408 3.858 20 0 DHADRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001205901551 1037440892 /nfs/dbraw/zinc/44/08/92/1037440892.db2.gz DDZVBAKENWPZMQ-DGCLKSJQSA-N 2 0 318.408 3.858 20 0 DHADRP CCO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001200873136 1037454468 /nfs/dbraw/zinc/45/44/68/1037454468.db2.gz YZQNCTXHNJKTET-RTBURBONSA-N 2 0 310.526 3.682 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000152652849 1037492532 /nfs/dbraw/zinc/49/25/32/1037492532.db2.gz CTGZBPULFZCKGW-IBGZPJMESA-N 2 0 316.489 3.927 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000493946087 1037599773 /nfs/dbraw/zinc/59/97/73/1037599773.db2.gz XESMQCJAWMUYJC-NXHRZFHOSA-N 2 0 306.494 3.719 20 0 DHADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc2[nH]ccc21 ZINC000494020789 1037620840 /nfs/dbraw/zinc/62/08/40/1037620840.db2.gz ZWODLDMUWGIMSS-UHFFFAOYSA-N 2 0 316.408 3.986 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C12CCC2 ZINC000776162630 1037625459 /nfs/dbraw/zinc/62/54/59/1037625459.db2.gz KFZZVAXGIZGTKI-WZOJCFFYSA-N 2 0 320.521 3.721 20 0 DHADRP C[NH+](C)Cc1cccc(Nc2c[nH+]ccc2N2CCCCC2)c1 ZINC001201392321 1037652598 /nfs/dbraw/zinc/65/25/98/1037652598.db2.gz ZULFVKSVXBYHCS-UHFFFAOYSA-N 2 0 310.445 3.877 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CC1CCCCC1 ZINC001201417759 1037659546 /nfs/dbraw/zinc/65/95/46/1037659546.db2.gz ZQZQEOYTLRYCKX-PWIZWCRZSA-N 2 0 322.537 3.560 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1(CC)CC ZINC000776167564 1037670208 /nfs/dbraw/zinc/67/02/08/1037670208.db2.gz FYPCGASSYWPQTO-FOIPXRHGSA-N 2 0 310.526 3.680 20 0 DHADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](CC(C)C)CC3)c1 ZINC001201471549 1037734598 /nfs/dbraw/zinc/73/45/98/1037734598.db2.gz WQGATYQVWRTGDQ-UHFFFAOYSA-N 2 0 316.489 3.639 20 0 DHADRP CC(C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001201470765 1037735358 /nfs/dbraw/zinc/73/53/58/1037735358.db2.gz LQBUAZKBVIBGCN-RYQLBKOJSA-N 2 0 306.519 3.936 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCC3)cc1 ZINC000490558879 1037739922 /nfs/dbraw/zinc/73/99/22/1037739922.db2.gz UJMWXGQEMQCQQC-UHFFFAOYSA-N 2 0 308.469 3.917 20 0 DHADRP CC[C@H](C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201520543 1037762906 /nfs/dbraw/zinc/76/29/06/1037762906.db2.gz CRDFVPXUKSPQMB-IHPCNDPISA-N 2 0 300.490 3.877 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ncc(C(F)(F)F)cc1Cl ZINC000924855488 1037763600 /nfs/dbraw/zinc/76/36/00/1037763600.db2.gz QXJGRTOJKFVACH-SNVBAGLBSA-N 2 0 323.790 3.746 20 0 DHADRP CC(C)CC[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001201616569 1037813227 /nfs/dbraw/zinc/81/32/27/1037813227.db2.gz ABSBOVWNMJHXPB-UHFFFAOYSA-N 2 0 315.505 3.804 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000037644176 1037836039 /nfs/dbraw/zinc/83/60/39/1037836039.db2.gz FAQSEVGYPMIXLP-STQMWFEESA-N 2 0 300.368 3.698 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000123587127 1037858106 /nfs/dbraw/zinc/85/81/06/1037858106.db2.gz ASYXJLDVJDNVRW-UWJYYQICSA-N 2 0 308.469 3.968 20 0 DHADRP c1ccc([C@@H]2CSCCN2CCC[NH+]2CCCCC2)cc1 ZINC000125214084 1037927153 /nfs/dbraw/zinc/92/71/53/1037927153.db2.gz WXEUOKGFMZTNMV-SFHVURJKSA-N 2 0 304.503 3.653 20 0 DHADRP CC1(C)CCC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563397 1037943470 /nfs/dbraw/zinc/94/34/70/1037943470.db2.gz PLXFDZMGSMVBIG-KBPBESRZSA-N 2 0 306.416 3.662 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000126473058 1038069642 /nfs/dbraw/zinc/06/96/42/1038069642.db2.gz WMHGOHGDBQTMJX-SFHVURJKSA-N 2 0 306.881 3.519 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000126472829 1038073254 /nfs/dbraw/zinc/07/32/54/1038073254.db2.gz WMHGOHGDBQTMJX-GOSISDBHSA-N 2 0 306.881 3.519 20 0 DHADRP CCOc1cccc(Cl)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001190496192 1038338217 /nfs/dbraw/zinc/33/82/17/1038338217.db2.gz SXKKMDZMHVVWRA-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001191022163 1038422293 /nfs/dbraw/zinc/42/22/93/1038422293.db2.gz PWSPZKKPZHUYHS-SJORKVTESA-N 2 0 318.530 3.998 20 0 DHADRP CCN(Cc1cccc(F)c1F)C1CC[NH+](CC2CC2)CC1 ZINC001168388190 1038450868 /nfs/dbraw/zinc/45/08/68/1038450868.db2.gz CMIDQIRNBIEEEM-UHFFFAOYSA-N 2 0 308.416 3.661 20 0 DHADRP C[C@H](COCc1ccccc1)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001191260064 1038468523 /nfs/dbraw/zinc/46/85/23/1038468523.db2.gz ZCHUFOFJALHWSK-AZUAARDMSA-N 2 0 318.505 3.646 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000477927522 1038825088 /nfs/dbraw/zinc/82/50/88/1038825088.db2.gz OIXSIUDQGCLHCJ-KGLIPLIRSA-N 2 0 306.416 3.819 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413827 1038869218 /nfs/dbraw/zinc/86/92/18/1038869218.db2.gz BFRRDOMKIYPESG-GPJFCIFZSA-N 2 0 318.480 3.926 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cn2ccccc2n1 ZINC000573386331 1038931648 /nfs/dbraw/zinc/93/16/48/1038931648.db2.gz ZWDFWDJOIRTPQK-IAGOWNOFSA-N 2 0 314.477 3.640 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000574182048 1039417419 /nfs/dbraw/zinc/41/74/19/1039417419.db2.gz VGMMHQVOXNFEDT-WMZOPIPTSA-N 2 0 324.534 3.926 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168421151 1039777149 /nfs/dbraw/zinc/77/71/49/1039777149.db2.gz ORFWNLQJGZKTPI-DNVCBOLYSA-N 2 0 304.453 3.524 20 0 DHADRP Clc1cccc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000606901115 1040028319 /nfs/dbraw/zinc/02/83/19/1040028319.db2.gz BQDQCEBSVFYZCI-INIZCTEOSA-N 2 0 322.880 3.527 20 0 DHADRP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC1CCCCCC1 ZINC000607151872 1040102313 /nfs/dbraw/zinc/10/23/13/1040102313.db2.gz YHHDCRUZRXLSNA-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP CC1CCC(O)(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000607721351 1040260666 /nfs/dbraw/zinc/26/06/66/1040260666.db2.gz UTADCQWGYWRENA-IOJLRTSASA-N 2 0 322.537 3.516 20 0 DHADRP c1ccc(CSCC[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000597253891 1040713520 /nfs/dbraw/zinc/71/35/20/1040713520.db2.gz AETZMMMGAXVLKE-LJQANCHMSA-N 2 0 318.530 3.631 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001168413314 1041265438 /nfs/dbraw/zinc/26/54/38/1041265438.db2.gz XMXKQXOKSHAMGP-LJQANCHMSA-N 2 0 316.464 3.680 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000092381089 185314719 /nfs/dbraw/zinc/31/47/19/185314719.db2.gz RYOIPOABDHAQFT-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000236766348 202000074 /nfs/dbraw/zinc/00/00/74/202000074.db2.gz WPGCZUOUOSSXBD-UHFFFAOYSA-N 2 0 304.453 3.926 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091317611 193038395 /nfs/dbraw/zinc/03/83/95/193038395.db2.gz XWDOLYYDLYZJOO-FQEVSTJZSA-N 2 0 316.489 3.537 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091312936 193039059 /nfs/dbraw/zinc/03/90/59/193039059.db2.gz GHRCQDUJTVJWEQ-OAQYLSRUSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@H](c1ccncc1)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)c1ccncc1 ZINC000091988930 193137950 /nfs/dbraw/zinc/13/79/50/193137950.db2.gz ZABXXYYOGUMVLG-FBLDJFESSA-N 2 0 324.472 3.719 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043285 193146521 /nfs/dbraw/zinc/14/65/21/193146521.db2.gz LBZPVTDAEHCOAU-RTWAWAEBSA-N 2 0 321.468 3.665 20 0 DHADRP CC(C)[NH2+]C1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000170987055 335012304 /nfs/dbraw/zinc/01/23/04/335012304.db2.gz JIGVFIHBNCGEGN-UHFFFAOYSA-N 2 0 312.910 3.895 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626390 184179142 /nfs/dbraw/zinc/17/91/42/184179142.db2.gz WLFIZUGMKVNTTK-TYNCELHUSA-N 2 0 300.368 3.524 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000272487767 130034619 /nfs/dbraw/zinc/03/46/19/130034619.db2.gz BWKCUKAPSVMUSU-OAHLLOKOSA-N 2 0 308.466 3.684 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000272488331 130035015 /nfs/dbraw/zinc/03/50/15/130035015.db2.gz DZJGXJWWOWIAHT-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000272546683 130040015 /nfs/dbraw/zinc/04/00/15/130040015.db2.gz LUXURPLQGKUBOA-UHFFFAOYSA-N 2 0 317.864 3.710 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272549647 130040747 /nfs/dbraw/zinc/04/07/47/130040747.db2.gz QYKRXSKBXZCSCH-LJQANCHMSA-N 2 0 300.421 3.613 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272599628 130045764 /nfs/dbraw/zinc/04/57/64/130045764.db2.gz UACRZLWUEWYCDI-CVEARBPZSA-N 2 0 304.478 3.509 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1C ZINC000272902444 130072023 /nfs/dbraw/zinc/07/20/23/130072023.db2.gz KMRJFAWWFAIOPS-OAHLLOKOSA-N 2 0 304.478 3.917 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273378266 130114852 /nfs/dbraw/zinc/11/48/52/130114852.db2.gz BROPLCCHUPVFQS-MOPGFXCFSA-N 2 0 320.452 3.510 20 0 DHADRP Cc1nc(F)ccc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000278591949 130704052 /nfs/dbraw/zinc/70/40/52/130704052.db2.gz ZSKPPBFSFQABMQ-UHFFFAOYSA-N 2 0 307.457 3.665 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000353452264 130857599 /nfs/dbraw/zinc/85/75/99/130857599.db2.gz ZJELHDKHVARGIN-UHFFFAOYSA-N 2 0 316.367 3.548 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cn[nH]c1 ZINC000283693770 131013865 /nfs/dbraw/zinc/01/38/65/131013865.db2.gz ANJDEYQHVLQKPB-HOTGVXAUSA-N 2 0 312.461 3.635 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2)C1 ZINC000340185119 131013964 /nfs/dbraw/zinc/01/39/64/131013964.db2.gz RTQHMXDPPMKEED-APWZRJJASA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2)C1 ZINC000340185125 131016148 /nfs/dbraw/zinc/01/61/48/131016148.db2.gz RTQHMXDPPMKEED-VQIMIIECSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cn[nH]c1 ZINC000283943354 131035723 /nfs/dbraw/zinc/03/57/23/131035723.db2.gz FMOQOLIUAOGANL-INIZCTEOSA-N 2 0 312.461 3.637 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000284522865 131087950 /nfs/dbraw/zinc/08/79/50/131087950.db2.gz WSSUZLMJSPYCRU-CDHQVMDDSA-N 2 0 316.489 3.509 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000287473838 131282257 /nfs/dbraw/zinc/28/22/57/131282257.db2.gz WOVGOESUKFFSRP-ABSDTBQOSA-N 2 0 309.457 3.704 20 0 DHADRP Cn1cncc1CC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000297852391 132037599 /nfs/dbraw/zinc/03/75/99/132037599.db2.gz OSDDHMYXGFNNOX-UHFFFAOYSA-N 2 0 315.436 3.589 20 0 DHADRP CCOc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)ccc1O ZINC000298318067 132056200 /nfs/dbraw/zinc/05/62/00/132056200.db2.gz IFTSVUUIYFUSAD-MRXNPFEDSA-N 2 0 320.477 3.535 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cncs1 ZINC000163930731 132127351 /nfs/dbraw/zinc/12/73/51/132127351.db2.gz XZQFHNMFIZOGSL-HNNXBMFYSA-N 2 0 315.486 3.980 20 0 DHADRP Fc1ccc(C[N@H+](CCCn2ccnc2)C2CCCC2)c(F)c1 ZINC000343318773 335074973 /nfs/dbraw/zinc/07/49/73/335074973.db2.gz BISGBDWOVIRJGO-UHFFFAOYSA-N 2 0 319.399 3.996 20 0 DHADRP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000525874094 335087992 /nfs/dbraw/zinc/08/79/92/335087992.db2.gz DIAIQGOYOXAEQA-KSZLIROESA-N 2 0 318.505 3.537 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000161633397 332915020 /nfs/dbraw/zinc/91/50/20/332915020.db2.gz RRBOKKVWKANNSN-JKSUJKDBSA-N 2 0 304.478 3.651 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000179705543 331534218 /nfs/dbraw/zinc/53/42/18/331534218.db2.gz RQNNWTQMOKDRAZ-UHFFFAOYSA-N 2 0 300.899 3.955 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000261962898 331721043 /nfs/dbraw/zinc/72/10/43/331721043.db2.gz PAZZYNIFEPMILR-GFCCVEGCSA-N 2 0 319.836 3.554 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000564816971 331729650 /nfs/dbraw/zinc/72/96/50/331729650.db2.gz ZXYWKRLITQCHOR-JTTJXQCZSA-N 2 0 302.462 3.535 20 0 DHADRP C[NH2+]CCC1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000261977208 331742819 /nfs/dbraw/zinc/74/28/19/331742819.db2.gz QVIDIMRERBLALX-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000556872491 331745592 /nfs/dbraw/zinc/74/55/92/331745592.db2.gz YAQLOPYABSRJIM-JXGBTDEFSA-N 2 0 304.453 3.912 20 0 DHADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261701174 331782872 /nfs/dbraw/zinc/78/28/72/331782872.db2.gz JYRFUEWAYKSTEW-CEXWTWQISA-N 2 0 309.457 3.635 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCCCC2 ZINC000557769496 331815244 /nfs/dbraw/zinc/81/52/44/331815244.db2.gz PWWNMLRWKTXUDF-MOPGFXCFSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)no1 ZINC000367995897 331895867 /nfs/dbraw/zinc/89/58/67/331895867.db2.gz ODLXXAGJZSYPTM-GTPINHCMSA-N 2 0 305.466 3.677 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cncs1 ZINC000128693694 332014759 /nfs/dbraw/zinc/01/47/59/332014759.db2.gz ZCNSVLFABXPOJK-CQSZACIVSA-N 2 0 303.475 3.836 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312392 332023656 /nfs/dbraw/zinc/02/36/56/332023656.db2.gz SXPRKBLOASUITC-MJGOQNOKSA-N 2 0 318.530 3.975 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000518471838 332060627 /nfs/dbraw/zinc/06/06/27/332060627.db2.gz TWJVREGFKXIMKE-PMACEKPBSA-N 2 0 300.490 3.818 20 0 DHADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000569395655 332075279 /nfs/dbraw/zinc/07/52/79/332075279.db2.gz DVYQZPZKXGVNSN-QFBILLFUSA-N 2 0 313.489 3.880 20 0 DHADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000569395653 332075370 /nfs/dbraw/zinc/07/53/70/332075370.db2.gz DVYQZPZKXGVNSN-APWZRJJASA-N 2 0 313.489 3.880 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093945914 332144252 /nfs/dbraw/zinc/14/42/52/332144252.db2.gz NVOGOLWGHVUMFP-INIZCTEOSA-N 2 0 303.494 3.525 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569605638 332198618 /nfs/dbraw/zinc/19/86/18/332198618.db2.gz QSVIIHCKBWKLDE-LJQANCHMSA-N 2 0 310.441 3.666 20 0 DHADRP CC(C)CSCCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000536370653 332233580 /nfs/dbraw/zinc/23/35/80/332233580.db2.gz QUCPFMMDJNVGQO-UHFFFAOYSA-N 2 0 307.507 3.737 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000560236188 332321465 /nfs/dbraw/zinc/32/14/65/332321465.db2.gz FGZLDJHHBQKQRP-OCCSQVGLSA-N 2 0 300.899 3.654 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CCC1CC[NH+](C)CC1)C1CC1 ZINC000560244446 332322667 /nfs/dbraw/zinc/32/26/67/332322667.db2.gz XWKCUGKEYHQWSG-FQEVSTJZSA-N 2 0 300.490 3.638 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000564973193 332328329 /nfs/dbraw/zinc/32/83/29/332328329.db2.gz VJCLMBKIYFWXTI-RDTXWAMCSA-N 2 0 304.503 3.717 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000564973192 332328505 /nfs/dbraw/zinc/32/85/05/332328505.db2.gz VJCLMBKIYFWXTI-KSSFIOAISA-N 2 0 304.503 3.717 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000560343150 332332162 /nfs/dbraw/zinc/33/21/62/332332162.db2.gz NBIFLORCGRUFCA-INIZCTEOSA-N 2 0 318.505 3.558 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000560528280 332351694 /nfs/dbraw/zinc/35/16/94/332351694.db2.gz PAQJNRFAJYFKJW-OKZBNKHCSA-N 2 0 304.453 3.566 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1C ZINC000560544558 332356261 /nfs/dbraw/zinc/35/62/61/332356261.db2.gz QCOSUAVNYVVGAP-NCXUSEDFSA-N 2 0 316.489 3.615 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1ccccc1C ZINC000560544557 332356471 /nfs/dbraw/zinc/35/64/71/332356471.db2.gz QCOSUAVNYVVGAP-MKXGPGLRSA-N 2 0 316.489 3.615 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560571116 332362014 /nfs/dbraw/zinc/36/20/14/332362014.db2.gz FEFNLXHBMOBPLY-KEYYUXOJSA-N 2 0 319.880 3.613 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000394424324 332425271 /nfs/dbraw/zinc/42/52/71/332425271.db2.gz RHJQHKYTQNRHNC-UHFFFAOYSA-N 2 0 324.468 3.697 20 0 DHADRP Clc1ccc(-c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)o2)cc1 ZINC000569790882 332679839 /nfs/dbraw/zinc/67/98/39/332679839.db2.gz BPVAVNWNQRQJRT-CYBMUJFWSA-N 2 0 304.821 3.689 20 0 DHADRP CCC[NH+](CCC)CCCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178210647 333004411 /nfs/dbraw/zinc/00/44/11/333004411.db2.gz FKTZEELHZUIUBA-OAHLLOKOSA-N 2 0 305.466 3.547 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000378870588 333058629 /nfs/dbraw/zinc/05/86/29/333058629.db2.gz MPZWQPWRBGOBCV-YLJYHZDGSA-N 2 0 324.468 3.577 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1Br ZINC000580311815 333094804 /nfs/dbraw/zinc/09/48/04/333094804.db2.gz SVORCMBNNVGDLT-UHFFFAOYSA-N 2 0 319.246 3.506 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000177979245 333134015 /nfs/dbraw/zinc/13/40/15/333134015.db2.gz YNJMXPUKESXPEN-OAHLLOKOSA-N 2 0 315.436 3.912 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2ccccc2n1 ZINC000178016702 333134306 /nfs/dbraw/zinc/13/43/06/333134306.db2.gz YKGBLUMQWXXQKA-MIGBEJBISA-N 2 0 309.457 3.901 20 0 DHADRP Cc1cscc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000388132894 333209355 /nfs/dbraw/zinc/20/93/55/333209355.db2.gz DPGFKDAGIJFFAM-UHFFFAOYSA-N 2 0 314.498 3.853 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000310001580 333215343 /nfs/dbraw/zinc/21/53/43/333215343.db2.gz FFOYHAAIPZKZCJ-QGZVFWFLSA-N 2 0 312.457 3.525 20 0 DHADRP c1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000310012876 333215804 /nfs/dbraw/zinc/21/58/04/333215804.db2.gz LMCLMQNCROONTJ-RTBURBONSA-N 2 0 312.482 3.702 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)ccc2c1 ZINC000390457892 333281401 /nfs/dbraw/zinc/28/14/01/333281401.db2.gz FYZMLIBLBVEVQA-HUUCEWRRSA-N 2 0 300.446 3.697 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCCCCC1 ZINC000502269459 333288065 /nfs/dbraw/zinc/28/80/65/333288065.db2.gz ORVKPMODRYRVSL-RBUKOAKNSA-N 2 0 322.537 3.826 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000390553528 333298135 /nfs/dbraw/zinc/29/81/35/333298135.db2.gz FJIQLRNAMLLVQZ-HXUWFJFHSA-N 2 0 324.468 3.840 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000531232627 333336730 /nfs/dbraw/zinc/33/67/30/333336730.db2.gz AXUCHVIIFSJKJZ-UHFFFAOYSA-N 2 0 310.432 3.909 20 0 DHADRP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000390785365 333393453 /nfs/dbraw/zinc/39/34/53/333393453.db2.gz VZRPVQDUCLZCJZ-UXHICEINSA-N 2 0 318.505 3.549 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000063158983 333445877 /nfs/dbraw/zinc/44/58/77/333445877.db2.gz MEHFQYZDVQMHFK-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP Cc1ccc2ncc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000411176998 333640461 /nfs/dbraw/zinc/64/04/61/333640461.db2.gz URRMFPWAOJUGJU-UHFFFAOYSA-N 2 0 323.484 3.851 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414181311 333909751 /nfs/dbraw/zinc/90/97/51/333909751.db2.gz LYOVARFFZWRNNJ-LJQANCHMSA-N 2 0 321.424 3.855 20 0 DHADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1OC(F)F ZINC000271822171 334027290 /nfs/dbraw/zinc/02/72/90/334027290.db2.gz CJUAHADSECMNAR-OAHLLOKOSA-N 2 0 310.388 3.591 20 0 DHADRP CCSc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000414647718 334054293 /nfs/dbraw/zinc/05/42/93/334054293.db2.gz ABRZLAFRJPLMCS-SFHVURJKSA-N 2 0 304.503 3.763 20 0 DHADRP CC[NH2+]CC1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000414653128 334055606 /nfs/dbraw/zinc/05/56/06/334055606.db2.gz AOVADUFENAMXHW-WOJBJXKFSA-N 2 0 300.490 3.818 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000414662081 334060619 /nfs/dbraw/zinc/06/06/19/334060619.db2.gz PXHXJSKYRLIOSZ-YJBOKZPZSA-N 2 0 310.441 3.531 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414662078 334060730 /nfs/dbraw/zinc/06/07/30/334060730.db2.gz PXHXJSKYRLIOSZ-CRAIPNDOSA-N 2 0 310.441 3.531 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414663524 334061929 /nfs/dbraw/zinc/06/19/29/334061929.db2.gz BFERZCGYFJRDAJ-IHPCNDPISA-N 2 0 322.452 3.531 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000414666286 334062001 /nfs/dbraw/zinc/06/20/01/334062001.db2.gz GDRXAEYYXGPDOF-OLZOCXBDSA-N 2 0 314.395 3.868 20 0 DHADRP C[C@@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000414666294 334062022 /nfs/dbraw/zinc/06/20/22/334062022.db2.gz GDRXAEYYXGPDOF-STQMWFEESA-N 2 0 314.395 3.868 20 0 DHADRP C[NH2+]C[C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414666963 334062308 /nfs/dbraw/zinc/06/23/08/334062308.db2.gz GXFMTCPBYJENJZ-OAQYLSRUSA-N 2 0 322.496 3.629 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414710314 334072563 /nfs/dbraw/zinc/07/25/63/334072563.db2.gz RUXVHNKCJYULNI-CPUCHLNUSA-N 2 0 324.921 3.818 20 0 DHADRP c1ccc(C[N@@H+](CC2CCCCCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000414713111 334072902 /nfs/dbraw/zinc/07/29/02/334072902.db2.gz JZNLSHGYPULVPW-HXUWFJFHSA-N 2 0 315.505 3.996 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000414731607 334075246 /nfs/dbraw/zinc/07/52/46/334075246.db2.gz ICMBGMHWZVEFFK-NRFANRHFSA-N 2 0 324.468 3.841 20 0 DHADRP C[N@H+](Cc1cc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000414748029 334084325 /nfs/dbraw/zinc/08/43/25/334084325.db2.gz HUURJYQDMLQLHD-KRWDZBQOSA-N 2 0 300.471 3.989 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)CC[NH2+]1 ZINC000414760105 334086760 /nfs/dbraw/zinc/08/67/60/334086760.db2.gz XUBJLWBXMXAODJ-VYDXJSESSA-N 2 0 313.445 3.743 20 0 DHADRP Clc1ccc(-c2ccc(C[NH2+]C3CC[NH2+]CC3)s2)cc1 ZINC000414779740 334093136 /nfs/dbraw/zinc/09/31/36/334093136.db2.gz ALURPEGLPZMINN-UHFFFAOYSA-N 2 0 306.862 3.910 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801230 334101779 /nfs/dbraw/zinc/10/17/79/334101779.db2.gz IZYLBTXDFOPFTL-ZIAGYGMSSA-N 2 0 300.368 3.668 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414799632 334101981 /nfs/dbraw/zinc/10/19/81/334101981.db2.gz KEUAQNZNJGLTHH-NHYWBVRUSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000414801957 334103305 /nfs/dbraw/zinc/10/33/05/334103305.db2.gz AUZSYODLPZGKDY-LBPRGKRZSA-N 2 0 306.356 3.598 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414804923 334103991 /nfs/dbraw/zinc/10/39/91/334103991.db2.gz FOKPJAZHJJMQJL-CABCVRRESA-N 2 0 300.421 3.956 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000414804975 334104086 /nfs/dbraw/zinc/10/40/86/334104086.db2.gz FWOKXKZJHSZOQJ-OAHLLOKOSA-N 2 0 310.441 3.785 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])s2)cc1 ZINC000414811402 334105806 /nfs/dbraw/zinc/10/58/06/334105806.db2.gz WCJQNIROBOBGMI-RDJZCZTQSA-N 2 0 315.486 3.726 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414813845 334106133 /nfs/dbraw/zinc/10/61/33/334106133.db2.gz UQNZGFBCWLYMHE-GFCCVEGCSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821315 334108495 /nfs/dbraw/zinc/10/84/95/334108495.db2.gz BBUCAPYGIBOMEL-FKJOKYEKSA-N 2 0 313.272 3.797 20 0 DHADRP FC(F)Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414821297 334108588 /nfs/dbraw/zinc/10/85/88/334108588.db2.gz AXDJOWDVTGQYJA-CYBMUJFWSA-N 2 0 320.383 3.530 20 0 DHADRP C[C@H](C[NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414831361 334110074 /nfs/dbraw/zinc/11/00/74/334110074.db2.gz DAHGBAGZPLDHKL-ZIAGYGMSSA-N 2 0 314.395 3.788 20 0 DHADRP Fc1cccc(Oc2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2)c1 ZINC000414831143 334110673 /nfs/dbraw/zinc/11/06/73/334110673.db2.gz MSPMKNJQSDEGHQ-INIZCTEOSA-N 2 0 314.404 3.707 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414832084 334111059 /nfs/dbraw/zinc/11/10/59/334111059.db2.gz DSGUWFHQOZFBFO-CQSZACIVSA-N 2 0 318.411 3.542 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414841392 334112884 /nfs/dbraw/zinc/11/28/84/334112884.db2.gz NWTXDSBZKPBTCY-KRWDZBQOSA-N 2 0 324.468 3.842 20 0 DHADRP FC(F)(F)c1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000414848207 334120327 /nfs/dbraw/zinc/12/03/27/334120327.db2.gz KJVBSRRUYKISMR-LLVKDONJSA-N 2 0 320.786 3.838 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000414856480 334129623 /nfs/dbraw/zinc/12/96/23/334129623.db2.gz ALGAOFLEANKUHZ-INIZCTEOSA-N 2 0 304.478 3.658 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000414863099 334133932 /nfs/dbraw/zinc/13/39/32/334133932.db2.gz WSMYMIVPNRBWRB-IEBWSBKVSA-N 2 0 321.553 3.671 20 0 DHADRP C[C@@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414897992 334161256 /nfs/dbraw/zinc/16/12/56/334161256.db2.gz AOLAOURULKYNRI-XJKSGUPXSA-N 2 0 314.395 3.788 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901829 334165222 /nfs/dbraw/zinc/16/52/22/334165222.db2.gz GXCGERBFWPXTEG-CZUORRHYSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414905618 334168876 /nfs/dbraw/zinc/16/88/76/334168876.db2.gz LOXNIKUEHDGSEI-BBRMVZONSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906137 334169311 /nfs/dbraw/zinc/16/93/11/334169311.db2.gz MBJVGUVHSKWFBN-IUODEOHRSA-N 2 0 300.899 3.702 20 0 DHADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000414914753 334176279 /nfs/dbraw/zinc/17/62/79/334176279.db2.gz YCLBSPXKSCQJNI-IAGOWNOFSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414915743 334177391 /nfs/dbraw/zinc/17/73/91/334177391.db2.gz NAZCIQTUYSJLBA-IUODEOHRSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000156559984 334177529 /nfs/dbraw/zinc/17/75/29/334177529.db2.gz KMTISWSZHLCGOY-GARJFASQSA-N 2 0 317.296 3.644 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414922071 334182379 /nfs/dbraw/zinc/18/23/79/334182379.db2.gz GGPKWWKGGXGKBS-HNJRGHQBSA-N 2 0 316.489 3.969 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414927886 334190229 /nfs/dbraw/zinc/19/02/29/334190229.db2.gz AIPGOBUGOVYSSO-XJKSGUPXSA-N 2 0 314.395 3.758 20 0 DHADRP CC(C)O[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000292805376 334192576 /nfs/dbraw/zinc/19/25/76/334192576.db2.gz LAZNJKVNYHBTPU-RTBURBONSA-N 2 0 304.478 3.569 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414930337 334194039 /nfs/dbraw/zinc/19/40/39/334194039.db2.gz ANBPRYYMAUQEFQ-CZUORRHYSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414941606 334202596 /nfs/dbraw/zinc/20/25/96/334202596.db2.gz LSJDREOBHLLXAU-STZQEDGTSA-N 2 0 322.496 3.818 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414943998 334203444 /nfs/dbraw/zinc/20/34/44/334203444.db2.gz OTOCQOMHOFHEQZ-XMSQKQJNSA-N 2 0 322.496 3.676 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415083984 334272358 /nfs/dbraw/zinc/27/23/58/334272358.db2.gz ONHJQMFJHDTJRT-NEPJUHHUSA-N 2 0 301.261 3.829 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414945959 334205150 /nfs/dbraw/zinc/20/51/50/334205150.db2.gz IZOMPWCNSROLKL-GCJKJVERSA-N 2 0 322.496 3.818 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414957025 334208718 /nfs/dbraw/zinc/20/87/18/334208718.db2.gz BESWKHQPZBZSJE-XJKSGUPXSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414957181 334208887 /nfs/dbraw/zinc/20/88/87/334208887.db2.gz NWSWUUJOYCSYLA-MLGOLLRUSA-N 2 0 304.434 3.642 20 0 DHADRP Cc1cc(N)cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000414956556 334209476 /nfs/dbraw/zinc/20/94/76/334209476.db2.gz APLISWAFTUSLNJ-YWZLYKJASA-N 2 0 315.505 3.710 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cn1 ZINC000340474740 334211737 /nfs/dbraw/zinc/21/17/37/334211737.db2.gz UXFOYMNJCVXOKV-GOSISDBHSA-N 2 0 307.457 3.774 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414961127 334212524 /nfs/dbraw/zinc/21/25/24/334212524.db2.gz RKOHOOYLWNEQMX-LRDDRELGSA-N 2 0 304.434 3.642 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414961513 334212771 /nfs/dbraw/zinc/21/27/71/334212771.db2.gz ILWUYSNEIZHHLJ-XJKSGUPXSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414967985 334215315 /nfs/dbraw/zinc/21/53/15/334215315.db2.gz QUPKUEDAGFACST-XJKSGUPXSA-N 2 0 314.395 3.931 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415082129 334273015 /nfs/dbraw/zinc/27/30/15/334273015.db2.gz NVPQWTQCNAQVCA-QQFBHYJXSA-N 2 0 322.518 3.531 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)C1 ZINC000414992437 334230936 /nfs/dbraw/zinc/23/09/36/334230936.db2.gz KMEXRNZEYNEIJL-ZIAGYGMSSA-N 2 0 302.393 3.693 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)s2)cc1 ZINC000414999324 334238019 /nfs/dbraw/zinc/23/80/19/334238019.db2.gz RRARCTKCTDJHQZ-ZBFHGGJFSA-N 2 0 315.486 3.726 20 0 DHADRP Clc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001016 334239942 /nfs/dbraw/zinc/23/99/42/334239942.db2.gz BYLHPRUVEQIXCP-DZGCQCFKSA-N 2 0 304.821 3.564 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000415008176 334250815 /nfs/dbraw/zinc/25/08/15/334250815.db2.gz CMELSERARQDDHE-SNVBAGLBSA-N 2 0 308.775 3.966 20 0 DHADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415010721 334257058 /nfs/dbraw/zinc/25/70/58/334257058.db2.gz GPNZJYBKEZKRBA-JKSUJKDBSA-N 2 0 319.493 3.634 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000415010757 334257197 /nfs/dbraw/zinc/25/71/97/334257197.db2.gz GSAPGGOJJQRPIU-OLZOCXBDSA-N 2 0 313.283 3.660 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415012942 334258381 /nfs/dbraw/zinc/25/83/81/334258381.db2.gz JWPUTTVPWSZUJT-INIZCTEOSA-N 2 0 312.457 3.969 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415014549 334258728 /nfs/dbraw/zinc/25/87/28/334258728.db2.gz MPMICXNLNZBASI-INIZCTEOSA-N 2 0 312.457 3.969 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000415017659 334259064 /nfs/dbraw/zinc/25/90/64/334259064.db2.gz FQPWRCXXRQYMAE-RXVVDRJESA-N 2 0 310.485 3.948 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000415017658 334259143 /nfs/dbraw/zinc/25/91/43/334259143.db2.gz FQPWRCXXRQYMAE-NQIIRXRSSA-N 2 0 310.485 3.948 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000415049747 334259151 /nfs/dbraw/zinc/25/91/51/334259151.db2.gz YBIRGVPOAHOYNC-GDBMZVCRSA-N 2 0 314.395 3.745 20 0 DHADRP C[C@@H]([NH3+])[C@H](C)[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000415023247 334259516 /nfs/dbraw/zinc/25/95/16/334259516.db2.gz WJTHRQACJJBGPP-MSOLQXFVSA-N 2 0 310.485 3.946 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415026997 334259809 /nfs/dbraw/zinc/25/98/09/334259809.db2.gz ANKFHERTBVWXMS-BEFAXECRSA-N 2 0 310.441 3.579 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415026581 334259811 /nfs/dbraw/zinc/25/98/11/334259811.db2.gz USRCQVQGYQGOTJ-INIZCTEOSA-N 2 0 312.457 3.888 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026048 334259928 /nfs/dbraw/zinc/25/99/28/334259928.db2.gz RRFXBHJQCSHOLD-BZUAXINKSA-N 2 0 306.519 3.694 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415036023 334260565 /nfs/dbraw/zinc/26/05/65/334260565.db2.gz LAXWDBSBHBZVSP-NOZJJQNGSA-N 2 0 306.759 3.576 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc2c1 ZINC000415042055 334260943 /nfs/dbraw/zinc/26/09/43/334260943.db2.gz MAFPDDHKBATDTL-FPOVZHCZSA-N 2 0 324.468 3.812 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000415045825 334261151 /nfs/dbraw/zinc/26/11/51/334261151.db2.gz UKHXUVVSWDGIMH-RYUDHWBXSA-N 2 0 301.261 3.643 20 0 DHADRP COc1cccc2c1CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C2 ZINC000415060430 334262078 /nfs/dbraw/zinc/26/20/78/334262078.db2.gz WTALJWVBIHADCY-UYAOXDASSA-N 2 0 324.468 3.622 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000415064105 334262254 /nfs/dbraw/zinc/26/22/54/334262254.db2.gz JSNPCGSBTBTYQT-IBGZPJMESA-N 2 0 305.425 3.805 20 0 DHADRP CCc1ccccc1[C@@H](N)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415067492 334262734 /nfs/dbraw/zinc/26/27/34/334262734.db2.gz PPJASQSIYFNOQY-KRWDZBQOSA-N 2 0 320.383 3.640 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000415076338 334268710 /nfs/dbraw/zinc/26/87/10/334268710.db2.gz AUTRBEMTWSLJPI-LLGFUMIMSA-N 2 0 324.468 3.762 20 0 DHADRP COc1cc(CC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)ccc1C ZINC000415077807 334270097 /nfs/dbraw/zinc/27/00/97/334270097.db2.gz FMTGTBBOGDKESD-PMACEKPBSA-N 2 0 324.468 3.629 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1nc(C(F)(F)F)cs1 ZINC000415077823 334270146 /nfs/dbraw/zinc/27/01/46/334270146.db2.gz FNLUSCIRSSIFQW-MNOVXSKESA-N 2 0 321.412 3.562 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415079432 334270816 /nfs/dbraw/zinc/27/08/16/334270816.db2.gz KCPWRNUAOWLSHH-UMVBOHGHSA-N 2 0 314.395 3.614 20 0 DHADRP Brc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)C2CCC2)cc1 ZINC000415090202 334279893 /nfs/dbraw/zinc/27/98/93/334279893.db2.gz YPDLCRMTORCIHN-MRXNPFEDSA-N 2 0 323.278 3.632 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)s2)cc1 ZINC000415112332 334281875 /nfs/dbraw/zinc/28/18/75/334281875.db2.gz RSSXCUKNSWNKND-HNNXBMFYSA-N 2 0 316.470 3.655 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2nc(-c3ccccc3F)cs2)CC1 ZINC000415110438 334282020 /nfs/dbraw/zinc/28/20/20/334282020.db2.gz STZNHWTVTRIUIU-UHFFFAOYSA-N 2 0 319.449 3.556 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000531953577 334310777 /nfs/dbraw/zinc/31/07/77/334310777.db2.gz FCGYNENTGOCTRA-UHFFFAOYSA-N 2 0 315.486 3.692 20 0 DHADRP c1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000303721482 334329557 /nfs/dbraw/zinc/32/95/57/334329557.db2.gz RTWUOGVTOKZDNI-HXUWFJFHSA-N 2 0 300.490 3.817 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000534794504 334337041 /nfs/dbraw/zinc/33/70/41/334337041.db2.gz GRWLUIQTSKYRLJ-BDJLRTHQSA-N 2 0 313.272 3.912 20 0 DHADRP CSc1ccccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000541894639 334349744 /nfs/dbraw/zinc/34/97/44/334349744.db2.gz ADMKZJGJYRCYFX-UHFFFAOYSA-N 2 0 306.519 3.961 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C3CC3)CC1)CCC2 ZINC000534972697 334350917 /nfs/dbraw/zinc/35/09/17/334350917.db2.gz RUHWRPZWCHQZDR-SFHVURJKSA-N 2 0 304.865 3.934 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCC3(C)C)cc2)C[C@@H](C)O1 ZINC000342629121 334555699 /nfs/dbraw/zinc/55/56/99/334555699.db2.gz SCUIDTKUDXSZIQ-MDZRGWNJSA-N 2 0 316.489 3.574 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000425337987 334801122 /nfs/dbraw/zinc/80/11/22/334801122.db2.gz APEIKWPJXHCVOO-XYVMCAHJSA-N 2 0 318.530 3.627 20 0 DHADRP CCCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000343916523 335201832 /nfs/dbraw/zinc/20/18/32/335201832.db2.gz QZBVDNQHVVTLDB-FQEVSTJZSA-N 2 0 317.521 3.534 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C12CCCC2 ZINC000344113802 335218248 /nfs/dbraw/zinc/21/82/48/335218248.db2.gz MSUWRDFJZUJQRJ-MOPGFXCFSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344116866 335218355 /nfs/dbraw/zinc/21/83/55/335218355.db2.gz XJPPICXVJJGWJC-HNAYVOBHSA-N 2 0 304.453 3.913 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000344143189 335221191 /nfs/dbraw/zinc/22/11/91/335221191.db2.gz ZUXREGBNFVJHGL-UHFFFAOYSA-N 2 0 300.446 3.746 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(C)o1 ZINC000344154335 335222400 /nfs/dbraw/zinc/22/24/00/335222400.db2.gz IZVNNBYABFMSLH-CQSZACIVSA-N 2 0 310.401 3.636 20 0 DHADRP C[C@@H]1CCC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000344909182 335284853 /nfs/dbraw/zinc/28/48/53/335284853.db2.gz ZRXRIJVYYKVDLF-HZPDHXFCSA-N 2 0 316.493 3.603 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCc2ccccc2C1 ZINC000346142745 335380857 /nfs/dbraw/zinc/38/08/57/335380857.db2.gz CEQWFPPOVFLFBL-UHFFFAOYSA-N 2 0 318.424 3.524 20 0 DHADRP CCC1CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000346151982 335382415 /nfs/dbraw/zinc/38/24/15/335382415.db2.gz OEDQTSSPKLOYCK-UHFFFAOYSA-N 2 0 307.507 3.532 20 0 DHADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346158442 335383279 /nfs/dbraw/zinc/38/32/79/335383279.db2.gz BTLQGYOIQAAKLH-HNAYVOBHSA-N 2 0 312.461 3.976 20 0 DHADRP C[N@H+](CCc1ccc(F)cc1)Cc1cc(-n2ccnc2)cs1 ZINC000346169372 335384740 /nfs/dbraw/zinc/38/47/40/335384740.db2.gz JGBPTWHGVVTOKC-UHFFFAOYSA-N 2 0 315.417 3.747 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1CC(C)C ZINC000346212408 335391098 /nfs/dbraw/zinc/39/10/98/335391098.db2.gz XEYJYRKEQLTMLD-IBGZPJMESA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nccn1CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000346305468 335398246 /nfs/dbraw/zinc/39/82/46/335398246.db2.gz IKXKZOJNZYIPSA-UHFFFAOYSA-N 2 0 307.397 3.510 20 0 DHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000520632434 335997711 /nfs/dbraw/zinc/99/77/11/335997711.db2.gz VLWSRIRBODVYOT-RTBURBONSA-N 2 0 318.505 3.584 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000583661430 336035816 /nfs/dbraw/zinc/03/58/16/336035816.db2.gz NSNBMXISENANKB-BAHPRDJBSA-N 2 0 320.427 3.642 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccsc2C)CC1 ZINC000351684663 336057878 /nfs/dbraw/zinc/05/78/78/336057878.db2.gz IQYJGBAXSBSPCG-UHFFFAOYSA-N 2 0 324.534 3.627 20 0 DHADRP [NH3+]CC[C@@H]1CCCCN1Cc1csc(-c2cccs2)n1 ZINC000352512344 336222487 /nfs/dbraw/zinc/22/24/87/336222487.db2.gz WUZRRTDAYITUSE-ZDUSSCGKSA-N 2 0 307.488 3.575 20 0 DHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352535245 336223080 /nfs/dbraw/zinc/22/30/80/336223080.db2.gz OEISDIHUCXLPHP-IBGZPJMESA-N 2 0 324.472 3.553 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352553648 336224329 /nfs/dbraw/zinc/22/43/29/336224329.db2.gz CUSGJNHAJVNPBQ-JTDSTZFVSA-N 2 0 322.468 3.756 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000532454267 336248157 /nfs/dbraw/zinc/24/81/57/336248157.db2.gz DNAKFJBSJHFYOJ-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000532468490 336249411 /nfs/dbraw/zinc/24/94/11/336249411.db2.gz WQNHXXIBPSYZPE-BJLQDIEVSA-N 2 0 324.553 3.929 20 0 DHADRP FCCCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352829481 336267543 /nfs/dbraw/zinc/26/75/43/336267543.db2.gz GPMPBXGZPLHFTQ-LJQANCHMSA-N 2 0 304.453 3.724 20 0 DHADRP CC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000526949399 336275896 /nfs/dbraw/zinc/27/58/96/336275896.db2.gz GPEPKHOMBUJZIB-ZDUSSCGKSA-N 2 0 314.395 3.883 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000192935994 336285319 /nfs/dbraw/zinc/28/53/19/336285319.db2.gz GPSURHHTFHJCJJ-UYAOXDASSA-N 2 0 308.469 3.902 20 0 DHADRP C[C@H]1C[C@H](Nc2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301559339 336314914 /nfs/dbraw/zinc/31/49/14/336314914.db2.gz UDCHXCHGPIDMNT-MAUKXSAKSA-N 2 0 322.456 3.819 20 0 DHADRP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc2[nH+]1 ZINC000301770641 336328707 /nfs/dbraw/zinc/32/87/07/336328707.db2.gz IZTDUVUGGQHYKI-OXJNMPFZSA-N 2 0 321.468 3.996 20 0 DHADRP Cc1nc2c(c(N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)n1)CCCC2 ZINC000302102940 336348616 /nfs/dbraw/zinc/34/86/16/336348616.db2.gz QQKGEEWMWNQTAB-RBUKOAKNSA-N 2 0 322.456 3.521 20 0 DHADRP CCCc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000563948496 336388376 /nfs/dbraw/zinc/38/83/76/336388376.db2.gz DCPOMVYFRPBSDI-UHFFFAOYSA-N 2 0 306.519 3.556 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000582241117 336390973 /nfs/dbraw/zinc/39/09/73/336390973.db2.gz CGKDCVRDSITNHO-LBPRGKRZSA-N 2 0 318.408 3.588 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1(C)CC1 ZINC000359664143 336682314 /nfs/dbraw/zinc/68/23/14/336682314.db2.gz PGXMNRUOEZBTRZ-BRWVUGGUSA-N 2 0 316.489 3.574 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CCCO2 ZINC000360433893 336711576 /nfs/dbraw/zinc/71/15/76/336711576.db2.gz PKYHTUTTYGRPFQ-WMZOPIPTSA-N 2 0 302.462 3.530 20 0 DHADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000360692162 336719144 /nfs/dbraw/zinc/71/91/44/336719144.db2.gz UWJGLPFLEOKQQH-SJORKVTESA-N 2 0 304.478 3.576 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC(c3ccccn3)C2)c1 ZINC000368565782 336847873 /nfs/dbraw/zinc/84/78/73/336847873.db2.gz FSQRRLPCUMKTJG-UHFFFAOYSA-N 2 0 323.484 3.959 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000122673091 337018035 /nfs/dbraw/zinc/01/80/35/337018035.db2.gz PRXDDZSSCGEHOT-GOSISDBHSA-N 2 0 320.452 3.751 20 0 DHADRP Clc1ccccc1CN1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000168674786 337022858 /nfs/dbraw/zinc/02/28/58/337022858.db2.gz CGLCIBAHVJRPEC-INIZCTEOSA-N 2 0 324.921 3.790 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000122771592 337023710 /nfs/dbraw/zinc/02/37/10/337023710.db2.gz STLBBXRLFVUTSR-OAHLLOKOSA-N 2 0 307.507 3.541 20 0 DHADRP Fc1cc(F)cc(C2CC([NH2+]CCCC[NH+]3CCCC3)C2)c1 ZINC000377660286 337057767 /nfs/dbraw/zinc/05/77/67/337057767.db2.gz VHTUOXVHRGWYLO-UHFFFAOYSA-N 2 0 308.416 3.676 20 0 DHADRP Cc1cc([C@H](C)NC2CC[NH+](Cc3cccc(C)c3)CC2)no1 ZINC000377822024 337061893 /nfs/dbraw/zinc/06/18/93/337061893.db2.gz UWSDYUUMRBZFGK-INIZCTEOSA-N 2 0 313.445 3.607 20 0 DHADRP OCCC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCCC1 ZINC000378180797 337067705 /nfs/dbraw/zinc/06/77/05/337067705.db2.gz BBFCSXXQZJJTAL-UHFFFAOYSA-N 2 0 322.537 3.564 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)(C)C ZINC000378440655 337072841 /nfs/dbraw/zinc/07/28/41/337072841.db2.gz DAOSDVQJLJSIAY-DOTOQJQBSA-N 2 0 316.489 3.999 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000193803779 337080248 /nfs/dbraw/zinc/08/02/48/337080248.db2.gz OCGRITVLCONGRH-NVXWUHKLSA-N 2 0 310.551 3.905 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193907075 337081239 /nfs/dbraw/zinc/08/12/39/337081239.db2.gz YZNIPHLTLCXIRD-GOSISDBHSA-N 2 0 306.519 3.630 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Nc1ccccc1 ZINC000582563087 337109602 /nfs/dbraw/zinc/10/96/02/337109602.db2.gz WIZSCXKWYASTCQ-ZRNYENFQSA-N 2 0 315.505 3.586 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000582725967 337125884 /nfs/dbraw/zinc/12/58/84/337125884.db2.gz IGOMXFHQJQGOGO-QRFRQXIXSA-N 2 0 324.468 3.796 20 0 DHADRP CSCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000173490732 337135540 /nfs/dbraw/zinc/13/55/40/337135540.db2.gz GCMQVIHFBUCWDM-AEFFLSMTSA-N 2 0 306.519 3.724 20 0 DHADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000178186117 337161264 /nfs/dbraw/zinc/16/12/64/337161264.db2.gz ZLPHXTGJHDVQKT-GJZGRUSLSA-N 2 0 315.486 3.803 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccsc2)[C@H](C)C1 ZINC000178333148 337163949 /nfs/dbraw/zinc/16/39/49/337163949.db2.gz YMQYOAMJACKXHL-VYDXJSESSA-N 2 0 310.507 3.536 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000582786963 337164382 /nfs/dbraw/zinc/16/43/82/337164382.db2.gz ROSZQTPDJZMGAR-GOSISDBHSA-N 2 0 304.384 3.910 20 0 DHADRP c1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)Cc3ccccc32)cc1 ZINC000178957025 337166635 /nfs/dbraw/zinc/16/66/35/337166635.db2.gz USIDBAMKUZLEKT-NRFANRHFSA-N 2 0 306.453 3.634 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000179169105 337168054 /nfs/dbraw/zinc/16/80/54/337168054.db2.gz GLLPNFBGYXSBJG-QAPCUYQASA-N 2 0 304.503 3.814 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182738641 337189670 /nfs/dbraw/zinc/18/96/70/337189670.db2.gz DBVOKCTZWRHUEX-UHFFFAOYSA-N 2 0 318.505 3.513 20 0 DHADRP Cc1cccc2oc(CC[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)nc21 ZINC000583078269 337236456 /nfs/dbraw/zinc/23/64/56/337236456.db2.gz HVYRPDKJVKKPOQ-JKSUJKDBSA-N 2 0 315.461 3.579 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000583230736 337281050 /nfs/dbraw/zinc/28/10/50/337281050.db2.gz DBETYVPCXCVWKW-YZGWKJHDSA-N 2 0 300.490 3.671 20 0 DHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1CCCC1 ZINC000583233151 337281352 /nfs/dbraw/zinc/28/13/52/337281352.db2.gz WLQZAWOCZOMBJS-FYWRMAATSA-N 2 0 324.415 3.767 20 0 DHADRP CSC1(C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC[NH+](C)CC1 ZINC000583233285 337281511 /nfs/dbraw/zinc/28/15/11/337281511.db2.gz CCLYJXBDOVLLCO-MAUKXSAKSA-N 2 0 318.530 3.645 20 0 DHADRP Cc1ccccc1OCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000583282503 337305184 /nfs/dbraw/zinc/30/51/84/337305184.db2.gz FRTZJPOQAFKUJH-UHFFFAOYSA-N 2 0 316.489 3.761 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192630174 337305958 /nfs/dbraw/zinc/30/59/58/337305958.db2.gz NPAUIZKIQFWVKN-OALUTQOASA-N 2 0 322.537 3.850 20 0 DHADRP Cc1c[nH+]ccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000192544299 337306290 /nfs/dbraw/zinc/30/62/90/337306290.db2.gz IDWPOZLKSGMNJQ-UHFFFAOYSA-N 2 0 301.459 3.776 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000584437481 337325282 /nfs/dbraw/zinc/32/52/82/337325282.db2.gz KSTSIVBVSHGJEU-VQIMIIECSA-N 2 0 318.480 3.811 20 0 DHADRP C[C@H]([NH2+]CCCC[NH3+])c1cc2cc(Br)ccc2o1 ZINC000037714980 337395786 /nfs/dbraw/zinc/39/57/86/337395786.db2.gz AUCQBDIGVMTYJX-JTQLQIEISA-N 2 0 311.223 3.585 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH3+])c1cc2cc(Br)ccc2o1 ZINC000037714981 337395813 /nfs/dbraw/zinc/39/58/13/337395813.db2.gz AUCQBDIGVMTYJX-SNVBAGLBSA-N 2 0 311.223 3.585 20 0 DHADRP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420256969 337497502 /nfs/dbraw/zinc/49/75/02/337497502.db2.gz HZFNGRFYHOOQGU-CJNGLKHVSA-N 2 0 315.848 3.693 20 0 DHADRP c1csc(C[NH+](CC[C@@H]2CC[NH2+]C2)Cc2cccs2)c1 ZINC000420321714 337499981 /nfs/dbraw/zinc/49/99/81/337499981.db2.gz RLFJUBPKAJHEKR-AWEZNQCLSA-N 2 0 306.500 3.811 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420391900 337500454 /nfs/dbraw/zinc/50/04/54/337500454.db2.gz BFWXDWRINWZFFA-BLLLJJGKSA-N 2 0 312.379 3.746 20 0 DHADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1C(F)(F)F ZINC000580437366 337676651 /nfs/dbraw/zinc/67/66/51/337676651.db2.gz SRQBGVDNUDVCNF-UHFFFAOYSA-N 2 0 300.368 3.575 20 0 DHADRP CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422686873 337683263 /nfs/dbraw/zinc/68/32/63/337683263.db2.gz AWKSKIOAVPDEFW-SFTDATJTSA-N 2 0 323.484 3.763 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1C ZINC000422724570 337684062 /nfs/dbraw/zinc/68/40/62/337684062.db2.gz WAWRFNOWDCSLQV-YTQUADARSA-N 2 0 311.473 3.795 20 0 DHADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000422751956 337685047 /nfs/dbraw/zinc/68/50/47/337685047.db2.gz DJODNHALFWDCTI-VFSICIBPSA-N 2 0 323.278 3.773 20 0 DHADRP Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422749181 337685049 /nfs/dbraw/zinc/68/50/49/337685049.db2.gz XXEFDZYXNWEBGC-QAPCUYQASA-N 2 0 312.461 3.600 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422758586 337685283 /nfs/dbraw/zinc/68/52/83/337685283.db2.gz KLAYHDQSCJGZCY-VQIMIIECSA-N 2 0 314.498 3.790 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422763509 337685477 /nfs/dbraw/zinc/68/54/77/337685477.db2.gz OTPSWKCDOJKMPB-LLVKDONJSA-N 2 0 323.362 3.718 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000422776228 337685978 /nfs/dbraw/zinc/68/59/78/337685978.db2.gz CIKMMAVRHMHTOY-DZJNRPSUSA-N 2 0 306.519 3.827 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422779339 337686134 /nfs/dbraw/zinc/68/61/34/337686134.db2.gz FXFJCUSMBBFEAL-STQMWFEESA-N 2 0 320.383 3.973 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786020 337686572 /nfs/dbraw/zinc/68/65/72/337686572.db2.gz NZBRBCBAONTHET-MTFMMBMASA-N 2 0 316.489 3.665 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422785284 337686599 /nfs/dbraw/zinc/68/65/99/337686599.db2.gz NIWMKRDBTUOZPN-ZFWWWQNUSA-N 2 0 313.445 3.578 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422794935 337687042 /nfs/dbraw/zinc/68/70/42/337687042.db2.gz UUOITSYNUDOOBL-ZIAGYGMSSA-N 2 0 315.486 3.680 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+][C@H](C)CCCC[NH3+])s2)cs1 ZINC000422800204 337687074 /nfs/dbraw/zinc/68/70/74/337687074.db2.gz ZNVIMCWXNWVKAR-GFCCVEGCSA-N 2 0 323.531 3.830 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000422799039 337687081 /nfs/dbraw/zinc/68/70/81/337687081.db2.gz UTNCZCDKOKTOIT-RKTXRCNFSA-N 2 0 301.478 3.858 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422811672 337687627 /nfs/dbraw/zinc/68/76/27/337687627.db2.gz VBIUAZIFLOGVAS-YRPNKDGESA-N 2 0 316.489 3.570 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422811996 337687677 /nfs/dbraw/zinc/68/76/77/337687677.db2.gz VRUXOCJSIQLAPF-WTGUMLROSA-N 2 0 316.489 3.712 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])c2)cc1 ZINC000422829482 337688313 /nfs/dbraw/zinc/68/83/13/337688313.db2.gz UOZQHADECHXTBL-KSSFIOAISA-N 2 0 316.470 3.641 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422835639 337688515 /nfs/dbraw/zinc/68/85/15/337688515.db2.gz YYTTWVVITMVQJD-LRDDRELGSA-N 2 0 312.404 3.773 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000422846075 337688742 /nfs/dbraw/zinc/68/87/42/337688742.db2.gz DTVULLYTUYXYNZ-MRXNPFEDSA-N 2 0 324.468 3.896 20 0 DHADRP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422874189 337689575 /nfs/dbraw/zinc/68/95/75/337689575.db2.gz NGCWFWCRNUTCHV-KLHKWILBSA-N 2 0 304.478 3.779 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(OCC2CC2)c(F)c1 ZINC000422875551 337689585 /nfs/dbraw/zinc/68/95/85/337689585.db2.gz PCROGNYIAAXZGG-UONOGXRCSA-N 2 0 308.441 3.783 20 0 DHADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422881147 337689905 /nfs/dbraw/zinc/68/99/05/337689905.db2.gz POYHOJUUPYIDLQ-FGTMMUONSA-N 2 0 304.503 3.809 20 0 DHADRP CCCCCOc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422893761 337690410 /nfs/dbraw/zinc/69/04/10/337690410.db2.gz RFFYFCICWSNPHU-LSDHHAIUSA-N 2 0 320.477 3.523 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422910298 337690924 /nfs/dbraw/zinc/69/09/24/337690924.db2.gz QGDWCQWYZJRYJL-SWLSCSKDSA-N 2 0 314.395 3.700 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1cc(F)ccc1F ZINC000422917302 337691205 /nfs/dbraw/zinc/69/12/05/337691205.db2.gz FWFSBHDGLOFNBM-SGTLLEGYSA-N 2 0 319.399 3.929 20 0 DHADRP COc1cccc(C[C@@H]([NH2+][C@H](C)CCC[NH3+])c2ccccc2)c1 ZINC000422937311 337692365 /nfs/dbraw/zinc/69/23/65/337692365.db2.gz JKRKNNGFOLVENB-OXQOHEQNSA-N 2 0 312.457 3.696 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(C)c2)CCCCC1 ZINC000422900946 337693287 /nfs/dbraw/zinc/69/32/87/337693287.db2.gz RCSRWUDPVXVZLO-LJQANCHMSA-N 2 0 318.505 3.540 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422901628 337693312 /nfs/dbraw/zinc/69/33/12/337693312.db2.gz SJGWCQQOWYZIKU-GUDVDZBRSA-N 2 0 316.464 3.758 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000422902591 337693320 /nfs/dbraw/zinc/69/33/20/337693320.db2.gz NBWPSTNODAJXNF-MFKMUULPSA-N 2 0 317.260 3.924 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000422986093 337693831 /nfs/dbraw/zinc/69/38/31/337693831.db2.gz BJYOEHVEXWWQKT-ROUUACIJSA-N 2 0 324.896 3.915 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422952566 337694651 /nfs/dbraw/zinc/69/46/51/337694651.db2.gz BHQBJMGWRALVPX-KXBFYZLASA-N 2 0 310.441 3.894 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423011745 337695529 /nfs/dbraw/zinc/69/55/29/337695529.db2.gz BMFXCTQCYAMHSW-JKSUJKDBSA-N 2 0 312.379 3.888 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423053772 337697427 /nfs/dbraw/zinc/69/74/27/337697427.db2.gz SXEZRECQLMKAOZ-GJZGRUSLSA-N 2 0 316.420 3.620 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(Cc2ccccc2)CCCCC1 ZINC000423056287 337697501 /nfs/dbraw/zinc/69/75/01/337697501.db2.gz XGARKVTZNFQPKP-LJQANCHMSA-N 2 0 318.505 3.523 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423057627 337697523 /nfs/dbraw/zinc/69/75/23/337697523.db2.gz HNVSNTQXVGIHJJ-ZENOOKHLSA-N 2 0 314.395 3.787 20 0 DHADRP Cn1cc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c2ccc(Cl)cc21 ZINC000423058035 337697679 /nfs/dbraw/zinc/69/76/79/337697679.db2.gz BJFWTXZFECUNHI-IAGOWNOFSA-N 2 0 319.880 3.624 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423061727 337697792 /nfs/dbraw/zinc/69/77/92/337697792.db2.gz RMIXZUUQMXCSHB-JMVFIXPQSA-N 2 0 314.473 3.801 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccccc2)c(C)c1 ZINC000423061034 337697861 /nfs/dbraw/zinc/69/78/61/337697861.db2.gz JSLORLYVQHPIQU-LJQANCHMSA-N 2 0 312.457 3.506 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423063348 337697937 /nfs/dbraw/zinc/69/79/37/337697937.db2.gz WCEUKYCOSSKHHC-OKZBNKHCSA-N 2 0 304.503 3.560 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423096944 337699299 /nfs/dbraw/zinc/69/92/99/337699299.db2.gz QBZBKLCJIOPREY-WHOFXGATSA-N 2 0 300.368 3.668 20 0 DHADRP c1cc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423113503 337700034 /nfs/dbraw/zinc/70/00/34/337700034.db2.gz YIKHDOVUWYNBLR-DFQSSKMNSA-N 2 0 311.473 3.611 20 0 DHADRP CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423127695 337700767 /nfs/dbraw/zinc/70/07/67/337700767.db2.gz JXBDQAFRSGBGPF-ZTTFOMCMSA-N 2 0 314.473 3.801 20 0 DHADRP CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423127689 337700826 /nfs/dbraw/zinc/70/08/26/337700826.db2.gz JXBDQAFRSGBGPF-DUPRYPCISA-N 2 0 314.473 3.801 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423136175 337701162 /nfs/dbraw/zinc/70/11/62/337701162.db2.gz USZPLYYEXVBILC-DQLDELGASA-N 2 0 308.469 3.728 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423140664 337701436 /nfs/dbraw/zinc/70/14/36/337701436.db2.gz ZBFZXMXJGGFEEY-OAGGEKHMSA-N 2 0 314.395 3.843 20 0 DHADRP Fc1cccc(F)c1CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423162342 337702066 /nfs/dbraw/zinc/70/20/66/337702066.db2.gz PDJIRMHPUMFIRU-XYPWUTKMSA-N 2 0 320.427 3.502 20 0 DHADRP Clc1cccc([C@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423169218 337702227 /nfs/dbraw/zinc/70/22/27/337702227.db2.gz VRVIYJJAVGIFCX-IMLUKAASSA-N 2 0 304.865 3.849 20 0 DHADRP C[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423214336 337704512 /nfs/dbraw/zinc/70/45/12/337704512.db2.gz LHBVNJDQDVKSNZ-DLBZAZTESA-N 2 0 323.569 3.643 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423219090 337705155 /nfs/dbraw/zinc/70/51/55/337705155.db2.gz WBLXDEPKUMJSEN-LPHOPBHVSA-N 2 0 304.478 3.762 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]C2CCC([NH3+])CC2)cc1OCC ZINC000423221471 337705394 /nfs/dbraw/zinc/70/53/94/337705394.db2.gz WURUKFXRNVRQIO-OFLPRAFFSA-N 2 0 320.477 3.795 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423250987 337707455 /nfs/dbraw/zinc/70/74/55/337707455.db2.gz RITCQDBXLOAPRD-OLZOCXBDSA-N 2 0 314.445 3.694 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423253283 337707561 /nfs/dbraw/zinc/70/75/61/337707561.db2.gz VRBCSFCRFUISGI-ZWKOTPCHSA-N 2 0 324.468 3.916 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000423254807 337707734 /nfs/dbraw/zinc/70/77/34/337707734.db2.gz ZODMRHDOLIRDOS-LESCRADOSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423256044 337707736 /nfs/dbraw/zinc/70/77/36/337707736.db2.gz DGFUTHZCHKHOPH-LSDHHAIUSA-N 2 0 315.486 3.850 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423258028 337707789 /nfs/dbraw/zinc/70/77/89/337707789.db2.gz LGVISDOBGWPSIH-IRXDYDNUSA-N 2 0 309.457 3.789 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423274685 337708892 /nfs/dbraw/zinc/70/88/92/337708892.db2.gz KTJIAZSJJONWEC-UHKNOIMOSA-N 2 0 306.416 3.851 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000423277735 337709022 /nfs/dbraw/zinc/70/90/22/337709022.db2.gz QBKZQMNZHYVHCT-WMLDXEAASA-N 2 0 312.885 3.769 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291925 337710128 /nfs/dbraw/zinc/71/01/28/337710128.db2.gz KOUJAOJXXRJZPJ-IALDWUNLSA-N 2 0 324.468 3.997 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(F)c1 ZINC000423294144 337710459 /nfs/dbraw/zinc/71/04/59/337710459.db2.gz TUZGJWIWZFHLNT-CHWSQXEVSA-N 2 0 302.393 3.705 20 0 DHADRP COc1cccc(C[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C2CC2)c1 ZINC000423293860 337710508 /nfs/dbraw/zinc/71/05/08/337710508.db2.gz SFZLGNLIWRMZOE-VFNWGFHPSA-N 2 0 324.468 3.826 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423301769 337711056 /nfs/dbraw/zinc/71/10/56/337711056.db2.gz GJLASLTZOCEDSP-SJCJKPOMSA-N 2 0 306.812 3.753 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000423315074 337711691 /nfs/dbraw/zinc/71/16/91/337711691.db2.gz AJUFMVPWHYPMOZ-HNNXBMFYSA-N 2 0 311.267 3.545 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OCC ZINC000423321949 337711844 /nfs/dbraw/zinc/71/18/44/337711844.db2.gz GQJKZOICJRBRSE-OAHLLOKOSA-N 2 0 320.477 3.524 20 0 DHADRP [NH3+]CCCC[NH2+][C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423329994 337712219 /nfs/dbraw/zinc/71/22/19/337712219.db2.gz PIIRZCKTPSBPKO-HXUWFJFHSA-N 2 0 305.425 3.653 20 0 DHADRP CC(C)C[C@H]([NH2+]CCCC[NH3+])c1cccc(Br)c1 ZINC000423329991 337712235 /nfs/dbraw/zinc/71/22/35/337712235.db2.gz PHLBUPUTHJNOEY-HNNXBMFYSA-N 2 0 313.283 3.865 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423342397 337713018 /nfs/dbraw/zinc/71/30/18/337713018.db2.gz KWHCXNBUENTZSD-ZDUSSCGKSA-N 2 0 312.379 3.536 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423345338 337713191 /nfs/dbraw/zinc/71/31/91/337713191.db2.gz YUDTTZJNYDOJCY-ZDUSSCGKSA-N 2 0 310.869 3.779 20 0 DHADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000423372205 337715177 /nfs/dbraw/zinc/71/51/77/337715177.db2.gz GWRNPFYIBAQFTA-UWJYYQICSA-N 2 0 306.453 3.791 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423401484 337715732 /nfs/dbraw/zinc/71/57/32/337715732.db2.gz QXJQZXGSMZYPSA-SIUPPRGNSA-N 2 0 306.881 3.954 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(Br)c1 ZINC000423383688 337717902 /nfs/dbraw/zinc/71/79/02/337717902.db2.gz KOWYTQHSWVKWTM-MVWJERBFSA-N 2 0 315.230 3.509 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCC[C@H]([NH3+])C3)oc21 ZINC000423374974 337717267 /nfs/dbraw/zinc/71/72/67/337717267.db2.gz ILTLSGIECQVHCP-QEJZJMRPSA-N 2 0 302.418 3.752 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(Br)c1 ZINC000423383690 337717910 /nfs/dbraw/zinc/71/79/10/337717910.db2.gz KOWYTQHSWVKWTM-ZMLRMANQSA-N 2 0 315.230 3.509 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423436071 337718967 /nfs/dbraw/zinc/71/89/67/337718967.db2.gz PHKJFCYWTCNVQQ-NEPJUHHUSA-N 2 0 304.356 3.753 20 0 DHADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423440167 337719211 /nfs/dbraw/zinc/71/92/11/337719211.db2.gz OBQMYWTULOWTGJ-YESZJQIVSA-N 2 0 324.415 3.717 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443385 337719563 /nfs/dbraw/zinc/71/95/63/337719563.db2.gz AKUWROZIEPLVLK-VXGBXAGGSA-N 2 0 302.434 3.822 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000423457197 337720407 /nfs/dbraw/zinc/72/04/07/337720407.db2.gz HTPLVXVSGYAPNP-NFAWXSAZSA-N 2 0 312.404 3.846 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423458992 337720518 /nfs/dbraw/zinc/72/05/18/337720518.db2.gz QULCZSKWHIOTJG-IAQYHMDHSA-N 2 0 311.267 3.544 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)C1 ZINC000423461271 337720540 /nfs/dbraw/zinc/72/05/40/337720540.db2.gz BWZIUTFJUIXZHF-PIKADFDJSA-N 2 0 320.452 3.543 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423461576 337720692 /nfs/dbraw/zinc/72/06/92/337720692.db2.gz SXRKWDPTBBFMOG-WOPDTQHZSA-N 2 0 319.276 3.866 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1C[C@@H]1C ZINC000423467508 337720935 /nfs/dbraw/zinc/72/09/35/337720935.db2.gz JCWYYBPIAVNNPC-KJPFHJLXSA-N 2 0 304.453 3.543 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423479200 337721845 /nfs/dbraw/zinc/72/18/45/337721845.db2.gz LYZTUWLDLVNYJF-OCCSQVGLSA-N 2 0 316.367 3.768 20 0 DHADRP Clc1cccc2c1OCCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423480133 337721848 /nfs/dbraw/zinc/72/18/48/337721848.db2.gz MZWJLKZGUQIHOH-CZUORRHYSA-N 2 0 308.853 3.676 20 0 DHADRP Clc1cccc2c1OCCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423480134 337721850 /nfs/dbraw/zinc/72/18/50/337721850.db2.gz MZWJLKZGUQIHOH-XJKSGUPXSA-N 2 0 308.853 3.676 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423501587 337723339 /nfs/dbraw/zinc/72/33/39/337723339.db2.gz CXNRNPNNMFIGJB-MOPGFXCFSA-N 2 0 310.441 3.839 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423506361 337723726 /nfs/dbraw/zinc/72/37/26/337723726.db2.gz ILPSRDYBGAZWIV-HIFRSBDPSA-N 2 0 304.459 3.888 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000423507486 337723734 /nfs/dbraw/zinc/72/37/34/337723734.db2.gz MXFZJYNEZPMGII-XFQXTVEOSA-N 2 0 312.432 3.827 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423513796 337724266 /nfs/dbraw/zinc/72/42/66/337724266.db2.gz RMRUISVGDXTING-RLCCDNCMSA-N 2 0 323.278 3.617 20 0 DHADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000423520119 337724314 /nfs/dbraw/zinc/72/43/14/337724314.db2.gz DQSIVILUJUSEOB-HNNXBMFYSA-N 2 0 311.267 3.632 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CCC3=CC[NH2+]CC3)oc21 ZINC000423535877 337724759 /nfs/dbraw/zinc/72/47/59/337724759.db2.gz FUKRCJGZQHEXKM-AWEZNQCLSA-N 2 0 314.429 3.792 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535119 337724812 /nfs/dbraw/zinc/72/48/12/337724812.db2.gz CBWUGRDDTCPZPM-HNNXBMFYSA-N 2 0 308.878 3.776 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)oc21 ZINC000423481567 337724979 /nfs/dbraw/zinc/72/49/79/337724979.db2.gz XCKQGPTYZGYCRX-DZKIICNBSA-N 2 0 316.445 4.000 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423539325 337725139 /nfs/dbraw/zinc/72/51/39/337725139.db2.gz OTPHSGZVSYWGHH-KRWDZBQOSA-N 2 0 320.864 3.762 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000423544707 337725355 /nfs/dbraw/zinc/72/53/55/337725355.db2.gz IVQFVUXSWVJZFZ-NLPXPOPTSA-N 2 0 318.892 3.954 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCS2 ZINC000423547775 337725390 /nfs/dbraw/zinc/72/53/90/337725390.db2.gz QFDLFKOOPDRBCL-LISAXSMJSA-N 2 0 316.514 3.818 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423553951 337725469 /nfs/dbraw/zinc/72/54/69/337725469.db2.gz WJHFHJUHYWTGQR-ZGKBOVNRSA-N 2 0 321.534 3.788 20 0 DHADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000424079669 337731403 /nfs/dbraw/zinc/73/14/03/337731403.db2.gz RMPSPWDKHWGAHE-PBHICJAKSA-N 2 0 317.477 3.723 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC12CC2 ZINC000527856519 337769456 /nfs/dbraw/zinc/76/94/56/337769456.db2.gz SPSFFMXWOJGLTC-WMLDXEAASA-N 2 0 304.503 3.738 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044516875 337810007 /nfs/dbraw/zinc/81/00/07/337810007.db2.gz VOEBKJVZMCTRDX-LBPRGKRZSA-N 2 0 309.523 3.741 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+]CCC1CC[NH+](CC)CC1 ZINC000121801536 337901038 /nfs/dbraw/zinc/90/10/38/337901038.db2.gz DLHPRIBEJZMYKC-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000516537866 338014848 /nfs/dbraw/zinc/01/48/48/338014848.db2.gz CIPCQHRIDLORBQ-MNZLEMJZSA-N 2 0 304.478 3.574 20 0 DHADRP COCC(C)(C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000426286323 338024546 /nfs/dbraw/zinc/02/45/46/338024546.db2.gz NACHXFHWULMHCU-UHFFFAOYSA-N 2 0 318.505 3.692 20 0 DHADRP CN(CCCC1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428487387 338054795 /nfs/dbraw/zinc/05/47/95/338054795.db2.gz YNXWLPIAUJTGKL-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3cccc4ccccc43)C2)C1 ZINC000429035952 338069557 /nfs/dbraw/zinc/06/95/57/338069557.db2.gz OFLHYPKFZFREPV-OAQYLSRUSA-N 2 0 308.469 3.800 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429039277 338069568 /nfs/dbraw/zinc/06/95/68/338069568.db2.gz HOMWHJVSSZBSIX-NRFANRHFSA-N 2 0 306.453 3.881 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429143680 338071858 /nfs/dbraw/zinc/07/18/58/338071858.db2.gz RMWQERNZVXDCTI-DOTOQJQBSA-N 2 0 324.921 3.991 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000429245687 338074598 /nfs/dbraw/zinc/07/45/98/338074598.db2.gz KYLGGYWOBHAIBQ-QZTJIDSGSA-N 2 0 321.509 3.753 20 0 DHADRP C[C@H](c1ccccc1Br)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431036425 338120985 /nfs/dbraw/zinc/12/09/85/338120985.db2.gz WIQZXFVXBKWCIG-CYBMUJFWSA-N 2 0 323.278 3.586 20 0 DHADRP CCC[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432360304 338154050 /nfs/dbraw/zinc/15/40/50/338154050.db2.gz VRXYFHSPIAHODX-UYAOXDASSA-N 2 0 318.505 3.661 20 0 DHADRP CCc1ccc([C@@H](CC)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432408270 338155145 /nfs/dbraw/zinc/15/51/45/338155145.db2.gz SQYCNGBQHPKUGJ-YLJYHZDGSA-N 2 0 318.505 3.791 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753623 338166507 /nfs/dbraw/zinc/16/65/07/338166507.db2.gz VXSNZQFDNYWXCZ-GXTWGEPZSA-N 2 0 321.465 3.740 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CCC2)cc1C ZINC000433080496 338180805 /nfs/dbraw/zinc/18/08/05/338180805.db2.gz CQEQQEDJQMNEIK-IEBWSBKVSA-N 2 0 300.490 3.655 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000433097676 338181563 /nfs/dbraw/zinc/18/15/63/338181563.db2.gz ORBYZEXKNLLTCC-RDJZCZTQSA-N 2 0 310.551 3.905 20 0 DHADRP CCN(Cc1nc(-c2cccs2)oc1C)[C@H]1CCC[NH2+]CC1 ZINC000435626599 338243872 /nfs/dbraw/zinc/24/38/72/338243872.db2.gz LADRQGCILNRLLS-AWEZNQCLSA-N 2 0 319.474 3.676 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436226498 338262450 /nfs/dbraw/zinc/26/24/50/338262450.db2.gz IMVGZAMOUFRZSJ-VQTJNVASSA-N 2 0 300.490 3.719 20 0 DHADRP CCSCC[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000437780987 338321203 /nfs/dbraw/zinc/32/12/03/338321203.db2.gz DXDHFVDENBANTO-WMZOPIPTSA-N 2 0 306.519 3.630 20 0 DHADRP CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437796149 338321894 /nfs/dbraw/zinc/32/18/94/338321894.db2.gz RAILEUHEBDEZBT-QLFBSQMISA-N 2 0 306.416 3.818 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCCCOc1ccccc1 ZINC000438090702 338330831 /nfs/dbraw/zinc/33/08/31/338330831.db2.gz VLXHJMVVGPVZLR-SFHVURJKSA-N 2 0 304.478 3.700 20 0 DHADRP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000438100038 338331339 /nfs/dbraw/zinc/33/13/39/338331339.db2.gz YHYVESADGKAGOO-QFBILLFUSA-N 2 0 304.453 3.880 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccc(F)cc1 ZINC000438097453 338331346 /nfs/dbraw/zinc/33/13/46/338331346.db2.gz TXZXTNPAENATTQ-DOTOQJQBSA-N 2 0 304.453 3.593 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccc(F)cc1 ZINC000438097455 338331435 /nfs/dbraw/zinc/33/14/35/338331435.db2.gz TXZXTNPAENATTQ-RDJZCZTQSA-N 2 0 304.453 3.593 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000438186173 338335613 /nfs/dbraw/zinc/33/56/13/338335613.db2.gz FVKWCZVUSHISBM-CQSZACIVSA-N 2 0 318.411 3.747 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438201384 338336313 /nfs/dbraw/zinc/33/63/13/338336313.db2.gz PUQBKJNJZAHWBJ-UXHICEINSA-N 2 0 300.490 3.818 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438221794 338337104 /nfs/dbraw/zinc/33/71/04/338337104.db2.gz XRUWOOLKEJNXAY-RLLQIKCJSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CC(F)(F)C2)C1 ZINC000450407688 338384726 /nfs/dbraw/zinc/38/47/26/338384726.db2.gz ULWYLSCTUORSDX-HUUCEWRRSA-N 2 0 300.437 3.618 20 0 DHADRP CC[C@H](F)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440793822 338397664 /nfs/dbraw/zinc/39/76/64/338397664.db2.gz ATZQJVXPVNEXOF-RBUKOAKNSA-N 2 0 304.453 3.723 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446886729 338539574 /nfs/dbraw/zinc/53/95/74/338539574.db2.gz JERFSNVHGYZOGA-ZIAGYGMSSA-N 2 0 304.400 3.572 20 0 DHADRP Clc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1Cl ZINC000446889332 338539687 /nfs/dbraw/zinc/53/96/87/338539687.db2.gz VOUWJVVMMHTWGZ-UHFFFAOYSA-N 2 0 313.272 3.957 20 0 DHADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000446890879 338539910 /nfs/dbraw/zinc/53/99/10/338539910.db2.gz QJIRPOYLKYMVPP-UHFFFAOYSA-N 2 0 313.272 3.957 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449082525 338591659 /nfs/dbraw/zinc/59/16/59/338591659.db2.gz NWLSALFVWIGWIP-HZPDHXFCSA-N 2 0 315.461 3.676 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000449104148 338593829 /nfs/dbraw/zinc/59/38/29/338593829.db2.gz DNYZDKWSKBJBOS-OAHLLOKOSA-N 2 0 318.486 3.774 20 0 DHADRP CCSCCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449307294 338611515 /nfs/dbraw/zinc/61/15/15/338611515.db2.gz ORPPJFJVCHKJJM-QGZVFWFLSA-N 2 0 320.546 3.815 20 0 DHADRP COC[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000449480290 338629305 /nfs/dbraw/zinc/62/93/05/338629305.db2.gz OAPBZQJFMPZYCA-MRXNPFEDSA-N 2 0 324.896 3.532 20 0 DHADRP COc1ccc2oc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2c1 ZINC000449525189 338634382 /nfs/dbraw/zinc/63/43/82/338634382.db2.gz BDXBVBCALZRWJH-UHFFFAOYSA-N 2 0 304.434 3.651 20 0 DHADRP CC(C)COc1cccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000449528980 338634657 /nfs/dbraw/zinc/63/46/57/338634657.db2.gz UDINIANJTATUCF-UHFFFAOYSA-N 2 0 306.494 3.931 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194909377 338778508 /nfs/dbraw/zinc/77/85/08/338778508.db2.gz LOCCSRKTYBXAJL-INIZCTEOSA-N 2 0 304.478 3.801 20 0 DHADRP CCC(C)(C)OCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000453421292 338841108 /nfs/dbraw/zinc/84/11/08/338841108.db2.gz YRZQYGPQESLABK-SJLPKXTDSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)OC1CC([N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000459354507 339023940 /nfs/dbraw/zinc/02/39/40/339023940.db2.gz XWVUJCABDVQHFV-SMVLHYPJSA-N 2 0 308.510 3.529 20 0 DHADRP Clc1cccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000459364538 339024704 /nfs/dbraw/zinc/02/47/04/339024704.db2.gz SOKQUESSSKJFOG-QFBILLFUSA-N 2 0 318.892 3.831 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459424758 339028345 /nfs/dbraw/zinc/02/83/45/339028345.db2.gz JPKFXCFRVZJBKZ-SJLPKXTDSA-N 2 0 301.478 3.855 20 0 DHADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459434227 339029049 /nfs/dbraw/zinc/02/90/49/339029049.db2.gz HKHNJVVHBWITLG-MAUKXSAKSA-N 2 0 301.478 3.855 20 0 DHADRP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000459660045 339041324 /nfs/dbraw/zinc/04/13/24/339041324.db2.gz NVKINMHABHMGBW-MOPGFXCFSA-N 2 0 309.388 3.899 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000459723138 339044397 /nfs/dbraw/zinc/04/43/97/339044397.db2.gz CRYBNEWDTYXKFB-CYBMUJFWSA-N 2 0 321.515 3.693 20 0 DHADRP Clc1cccc(CC2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000459725347 339044500 /nfs/dbraw/zinc/04/45/00/339044500.db2.gz ZTRFSZXISHDILK-ROUUACIJSA-N 2 0 318.892 3.879 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000459734988 339045078 /nfs/dbraw/zinc/04/50/78/339045078.db2.gz PGJFTLNEPFRCMY-ZDUSSCGKSA-N 2 0 300.368 3.527 20 0 DHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000459741582 339045629 /nfs/dbraw/zinc/04/56/29/339045629.db2.gz APOAKXKLFUFKDK-HOTGVXAUSA-N 2 0 310.526 3.821 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000459775163 339047774 /nfs/dbraw/zinc/04/77/74/339047774.db2.gz JJNALVFLYYEZOT-NXVRBGIVSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459793901 339048948 /nfs/dbraw/zinc/04/89/48/339048948.db2.gz UCVGPZGRIQSCGY-JKSUJKDBSA-N 2 0 300.446 3.685 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000459798369 339049144 /nfs/dbraw/zinc/04/91/44/339049144.db2.gz XLXVLIIHHVIEKI-UONOGXRCSA-N 2 0 310.482 3.930 20 0 DHADRP [NH3+]CCCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167748785 339053507 /nfs/dbraw/zinc/05/35/07/339053507.db2.gz JSZDVWIOHSZQGC-UHFFFAOYSA-N 2 0 314.273 3.553 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000462113896 339072265 /nfs/dbraw/zinc/07/22/65/339072265.db2.gz UMXDQMRRLOMJOT-UHFFFAOYSA-N 2 0 306.416 3.819 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000462686255 339084228 /nfs/dbraw/zinc/08/42/28/339084228.db2.gz PZAHSMGVHBHASY-WMZOPIPTSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000463014138 339100478 /nfs/dbraw/zinc/10/04/78/339100478.db2.gz UFRKMKASLLFBDL-OALUTQOASA-N 2 0 322.537 3.965 20 0 DHADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4C[C@@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463216659 339109986 /nfs/dbraw/zinc/10/99/86/339109986.db2.gz WDXCNDATJMOYOG-CIAFKFPVSA-N 2 0 318.464 3.606 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463278336 339113010 /nfs/dbraw/zinc/11/30/10/339113010.db2.gz VNVPCWWXUIFEQJ-IJEWVQPXSA-N 2 0 314.395 3.970 20 0 DHADRP CCOC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000463278294 339113037 /nfs/dbraw/zinc/11/30/37/339113037.db2.gz NFBHBVQZMOGSSY-SXLOBPIMSA-N 2 0 318.505 3.690 20 0 DHADRP C(CC1CC[NH+](CCCC2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000463296681 339113899 /nfs/dbraw/zinc/11/38/99/339113899.db2.gz WHGGDRLOIMBIKZ-UHFFFAOYSA-N 2 0 322.537 3.781 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000467305296 339230668 /nfs/dbraw/zinc/23/06/68/339230668.db2.gz RHKUEPVTZUWWBT-KDOFPFPSSA-N 2 0 322.468 3.922 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000467312036 339231211 /nfs/dbraw/zinc/23/12/11/339231211.db2.gz ZFUSGFBEVXCXTM-MOPGFXCFSA-N 2 0 315.505 3.882 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000467435341 339238428 /nfs/dbraw/zinc/23/84/28/339238428.db2.gz XVRKJWFJBTVJHC-SOLBZPMBSA-N 2 0 304.478 3.714 20 0 DHADRP C/C(=C/c1ccccc1)C[NH+]1CCN(c2cnccc2C)CC1 ZINC000467551568 339242142 /nfs/dbraw/zinc/24/21/42/339242142.db2.gz SSWNCTYVXCPHPB-VKAVYKQESA-N 2 0 307.441 3.616 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000469042076 339278446 /nfs/dbraw/zinc/27/84/46/339278446.db2.gz NVLXTWDVIXYJPE-QGZVKYPTSA-N 2 0 302.506 3.820 20 0 DHADRP CC(C)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000469257518 339284366 /nfs/dbraw/zinc/28/43/66/339284366.db2.gz OYRATUWWNKFGAO-IBGZPJMESA-N 2 0 302.506 3.964 20 0 DHADRP CCCCOCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469757896 339297859 /nfs/dbraw/zinc/29/78/59/339297859.db2.gz OGYYQIOSWHIPHF-QZTJIDSGSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H](C)CCC1CC1 ZINC000469785153 339299779 /nfs/dbraw/zinc/29/97/79/339299779.db2.gz ADNIPJZTMVJKNT-INIZCTEOSA-N 2 0 301.478 3.737 20 0 DHADRP C[C@H](CCc1ccccc1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470016241 339308705 /nfs/dbraw/zinc/30/87/05/339308705.db2.gz DPMSRCXOPULKIU-QGZVFWFLSA-N 2 0 300.490 3.719 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000470165054 339312347 /nfs/dbraw/zinc/31/23/47/339312347.db2.gz CTSANDQPNJQAPN-AUUYWEPGSA-N 2 0 313.489 3.913 20 0 DHADRP C[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000470363299 339318270 /nfs/dbraw/zinc/31/82/70/339318270.db2.gz IBDRVADBRBASBG-CQSZACIVSA-N 2 0 306.881 3.908 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471218209 339340176 /nfs/dbraw/zinc/34/01/76/339340176.db2.gz BBGFIBJQQIQCKI-MAUKXSAKSA-N 2 0 308.897 3.935 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CSc2ccccc2)C1 ZINC000472575624 339374058 /nfs/dbraw/zinc/37/40/58/339374058.db2.gz UZCPZJXLEGNBDM-ROUUACIJSA-N 2 0 318.530 3.975 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000474037298 339398190 /nfs/dbraw/zinc/39/81/90/339398190.db2.gz QHWOKPMLPOZXPR-QGZVFWFLSA-N 2 0 304.478 3.595 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000474052676 339399373 /nfs/dbraw/zinc/39/93/73/339399373.db2.gz BPTXLAFIQJAIDL-KHYOSLBOSA-N 2 0 316.489 3.880 20 0 DHADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1CCC(F)(F)CC1 ZINC000474062004 339400031 /nfs/dbraw/zinc/40/00/31/339400031.db2.gz DFBYOYKTLGLLDA-CQSZACIVSA-N 2 0 302.453 3.912 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000474478099 339416656 /nfs/dbraw/zinc/41/66/56/339416656.db2.gz JZBCPQCXFAURFL-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)C(C)C)CC2)c1 ZINC000480218327 339563918 /nfs/dbraw/zinc/56/39/18/339563918.db2.gz CBUFLTDBHUZKFI-IBGZPJMESA-N 2 0 317.521 3.531 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000483520167 339667998 /nfs/dbraw/zinc/66/79/98/339667998.db2.gz SSZVNOICIMSYQO-OALUTQOASA-N 2 0 323.569 3.741 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000483710997 339672334 /nfs/dbraw/zinc/67/23/34/339672334.db2.gz IJYKZHLMIKNNJS-AUUYWEPGSA-N 2 0 304.453 3.771 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000484505729 339688564 /nfs/dbraw/zinc/68/85/64/339688564.db2.gz VSKITCCOIALGOY-MDZRGWNJSA-N 2 0 304.478 3.856 20 0 DHADRP C(=C/c1ccncc1)\C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000486960875 339740303 /nfs/dbraw/zinc/74/03/03/339740303.db2.gz BNYMSWHOAMSCSR-QPJJXVBHSA-N 2 0 321.468 3.597 20 0 DHADRP CCc1cccc(OCC[NH+]2CCC(C[NH+](CC)CC)CC2)c1 ZINC000488403172 339779757 /nfs/dbraw/zinc/77/97/57/339779757.db2.gz BWJSTXPYLUWBRW-UHFFFAOYSA-N 2 0 318.505 3.682 20 0 DHADRP CC(C)C[C@H](C)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000499597003 340040291 /nfs/dbraw/zinc/04/02/91/340040291.db2.gz AKXDFFWWMGDVBQ-KRWDZBQOSA-N 2 0 303.494 3.912 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500122524 340050734 /nfs/dbraw/zinc/05/07/34/340050734.db2.gz IVRVQDKAILCYRG-KBPBESRZSA-N 2 0 314.395 3.692 20 0 DHADRP C[NH+](C)CCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501473887 340081930 /nfs/dbraw/zinc/08/19/30/340081930.db2.gz DBYDILNISGQLID-UHFFFAOYSA-N 2 0 318.411 3.638 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000501772303 340088386 /nfs/dbraw/zinc/08/83/86/340088386.db2.gz FJARNEILEWXVRY-UHFFFAOYSA-N 2 0 324.509 3.972 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000502695484 340110898 /nfs/dbraw/zinc/11/08/98/340110898.db2.gz XLEPDCXEUSFSGO-HUUCEWRRSA-N 2 0 324.871 3.970 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCc1ccccc1 ZINC000502761687 340113049 /nfs/dbraw/zinc/11/30/49/340113049.db2.gz AXOVJAIOWKJIMP-WOJBJXKFSA-N 2 0 300.490 3.958 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080269 340120555 /nfs/dbraw/zinc/12/05/55/340120555.db2.gz KABBLUCGZDZUGH-YJBOKZPZSA-N 2 0 313.445 3.646 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080267 340120585 /nfs/dbraw/zinc/12/05/85/340120585.db2.gz KABBLUCGZDZUGH-QAPCUYQASA-N 2 0 313.445 3.646 20 0 DHADRP COc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2)cc1F ZINC000503883267 340135689 /nfs/dbraw/zinc/13/56/89/340135689.db2.gz CVVKKUSPFJFPEF-JCNLHEQBSA-N 2 0 320.452 3.543 20 0 DHADRP Cc1cc2cc(C[NH2+]CC3(C)CC[NH+](C)CC3)oc2cc1C ZINC000503907989 340136282 /nfs/dbraw/zinc/13/62/82/340136282.db2.gz BPUUTACWVMCZRZ-UHFFFAOYSA-N 2 0 300.446 3.871 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000503937132 340137620 /nfs/dbraw/zinc/13/76/20/340137620.db2.gz PPMRIVLFGCSTIH-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP c1ccc(C([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000401059370 340161628 /nfs/dbraw/zinc/16/16/28/340161628.db2.gz IYRWOFMSHMQTHY-XUVXKRRUSA-N 2 0 306.453 3.754 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000506866460 340203052 /nfs/dbraw/zinc/20/30/52/340203052.db2.gz JFIQKLFHUIPGDC-UHFFFAOYSA-N 2 0 316.489 3.565 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000507207777 340213414 /nfs/dbraw/zinc/21/34/14/340213414.db2.gz FLSZFOCCHZZYID-UHFFFAOYSA-N 2 0 310.869 3.599 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000507209148 340213587 /nfs/dbraw/zinc/21/35/87/340213587.db2.gz HTNFCJOQKPUEDZ-GHRIWEEISA-N 2 0 316.489 3.510 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C2CC2)cc1 ZINC000507447304 340220029 /nfs/dbraw/zinc/22/00/29/340220029.db2.gz WEJARHBSQPPAMI-LJQANCHMSA-N 2 0 300.490 3.638 20 0 DHADRP CC[C@H](CSC)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507520028 340224136 /nfs/dbraw/zinc/22/41/36/340224136.db2.gz MMBRNOUGMNTIDD-ZSYWTGECSA-N 2 0 318.530 3.628 20 0 DHADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000507802429 340232105 /nfs/dbraw/zinc/23/21/05/340232105.db2.gz HDAPAQAZQVATSU-SLFFLAALSA-N 2 0 322.537 3.780 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509924188 340282882 /nfs/dbraw/zinc/28/28/82/340282882.db2.gz CIQJFUZHDMVZFF-KURKYZTESA-N 2 0 318.505 3.671 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000510364354 340297064 /nfs/dbraw/zinc/29/70/64/340297064.db2.gz WBNBUQLZDAIVAL-OXJNMPFZSA-N 2 0 316.464 3.867 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000510651776 340305176 /nfs/dbraw/zinc/30/51/76/340305176.db2.gz NURMGCBKJJTKLW-KBPBESRZSA-N 2 0 316.411 3.956 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510669030 340305732 /nfs/dbraw/zinc/30/57/32/340305732.db2.gz KNAOHQSPIZJWJD-VQTJNVASSA-N 2 0 316.489 3.685 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CCCF)cc1 ZINC000510752800 340309808 /nfs/dbraw/zinc/30/98/08/340309808.db2.gz NYWRGRAGPKHOJP-HKUYNNGSSA-N 2 0 322.468 3.635 20 0 DHADRP COCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000510934381 340315436 /nfs/dbraw/zinc/31/54/36/340315436.db2.gz YLPBPVUPPXTRHX-SFHVURJKSA-N 2 0 310.526 3.824 20 0 DHADRP CSc1ccccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000511153879 340322598 /nfs/dbraw/zinc/32/25/98/340322598.db2.gz HPUCCXHUKSSUTJ-INIZCTEOSA-N 2 0 304.503 3.716 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000511456052 340327629 /nfs/dbraw/zinc/32/76/29/340327629.db2.gz VRSFDKDGPARURA-WASAWGCPSA-N 2 0 316.489 3.699 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000511506300 340329014 /nfs/dbraw/zinc/32/90/14/340329014.db2.gz ICMCYODLZJKOFV-UHFFFAOYSA-N 2 0 316.489 3.564 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000512083374 340348129 /nfs/dbraw/zinc/34/81/29/340348129.db2.gz JWSJKQGNISHIJT-ONEGZZNKSA-N 2 0 308.416 3.688 20 0 DHADRP CCCC[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512115638 340348917 /nfs/dbraw/zinc/34/89/17/340348917.db2.gz QMDLBBIFKWACQV-PLNGDYQASA-N 2 0 308.416 3.832 20 0 DHADRP CN1CC[C@H]2CC[N@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000512253805 340354136 /nfs/dbraw/zinc/35/41/36/340354136.db2.gz RUBFTDPWIDWTHM-RBBKRZOGSA-N 2 0 320.480 3.845 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000512444453 340362010 /nfs/dbraw/zinc/36/20/10/340362010.db2.gz PAYGWMFNZFQICS-UHFFFAOYSA-N 2 0 312.379 3.766 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000512964252 340385860 /nfs/dbraw/zinc/38/58/60/340385860.db2.gz NZMWRIGABBPWGS-MJGOQNOKSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000513238249 340399011 /nfs/dbraw/zinc/39/90/11/340399011.db2.gz KQQVDVVAXPWOBM-RLLQIKCJSA-N 2 0 324.553 3.806 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000572520026 340483630 /nfs/dbraw/zinc/48/36/30/340483630.db2.gz SZSFLGGWCZROJK-KRWDZBQOSA-N 2 0 320.452 3.533 20 0 DHADRP CC(C)CCC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192758376 340569533 /nfs/dbraw/zinc/56/95/33/340569533.db2.gz YIIQRKVLWVTYIB-UHFFFAOYSA-N 2 0 323.569 3.551 20 0 DHADRP CCC(CC)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)SC ZINC000232863963 340638599 /nfs/dbraw/zinc/63/85/99/340638599.db2.gz FVZADHODPDAIKQ-UHFFFAOYSA-N 2 0 307.507 3.562 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530244687 340783567 /nfs/dbraw/zinc/78/35/67/340783567.db2.gz MRJUMWZWVOFBFK-FJIDUMEYSA-N 2 0 304.865 3.838 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000537971862 340794538 /nfs/dbraw/zinc/79/45/38/340794538.db2.gz KGRUCHWEDOFWMD-LMMKCTJWSA-N 2 0 318.505 3.843 20 0 DHADRP CC(C)[C@H](C)C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540491571 340933326 /nfs/dbraw/zinc/93/33/26/340933326.db2.gz DVLKUTFIPHYWAE-AEFFLSMTSA-N 2 0 316.489 3.856 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130258807 341010371 /nfs/dbraw/zinc/01/03/71/341010371.db2.gz MKZQDVMTZNZGBD-HXSCFSKGSA-N 2 0 306.416 3.818 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000542507227 341011041 /nfs/dbraw/zinc/01/10/41/341011041.db2.gz JFJGGUHKZSDHKG-QUCCMNQESA-N 2 0 322.537 3.922 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000542507229 341011096 /nfs/dbraw/zinc/01/10/96/341011096.db2.gz JFJGGUHKZSDHKG-UYAOXDASSA-N 2 0 322.537 3.922 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)Cc1ccccc1 ZINC000542517587 341011602 /nfs/dbraw/zinc/01/16/02/341011602.db2.gz GBACAACBMHZDLC-INIZCTEOSA-N 2 0 314.448 3.856 20 0 DHADRP C[C@@H]([NH2+]CCCCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533373 341012485 /nfs/dbraw/zinc/01/24/85/341012485.db2.gz UXTWCWIUBUJKSI-KGLIPLIRSA-N 2 0 306.416 3.962 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000542697426 341017719 /nfs/dbraw/zinc/01/77/19/341017719.db2.gz PCEWGLQGXISIES-AEFFLSMTSA-N 2 0 304.865 3.828 20 0 DHADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)CCc1cccc(F)c1 ZINC000543095484 341031759 /nfs/dbraw/zinc/03/17/59/341031759.db2.gz OXIYHHKQBDVOPC-LZQZEXGQSA-N 2 0 304.453 3.705 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000544407037 341080672 /nfs/dbraw/zinc/08/06/72/341080672.db2.gz CJSABYAQLYLIPK-UYAOXDASSA-N 2 0 300.490 3.816 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000544598647 341087933 /nfs/dbraw/zinc/08/79/33/341087933.db2.gz INBKMYISQMFILZ-UHFFFAOYSA-N 2 0 324.896 3.534 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000544598116 341087965 /nfs/dbraw/zinc/08/79/65/341087965.db2.gz APCBRPPDTUNYCA-UHFFFAOYSA-N 2 0 324.896 3.534 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]CCN1CC=C(C)CC1 ZINC000545157924 341110662 /nfs/dbraw/zinc/11/06/62/341110662.db2.gz JXPAJPULPFFELY-INIZCTEOSA-N 2 0 304.503 3.581 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](C)C1CCCCC1 ZINC000132966693 341150824 /nfs/dbraw/zinc/15/08/24/341150824.db2.gz JIKXECZBUUKPLB-SQNIBIBYSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCCC1 ZINC000564298457 341151172 /nfs/dbraw/zinc/15/11/72/341151172.db2.gz KYICOEPCWIORKS-ASFAAARLSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1N(C)C ZINC000546227334 341157984 /nfs/dbraw/zinc/15/79/84/341157984.db2.gz VGFIDPUSVAVULC-INIZCTEOSA-N 2 0 303.494 3.525 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000546606653 341174551 /nfs/dbraw/zinc/17/45/51/341174551.db2.gz HEWLTZRLQGKLPE-UHFFFAOYSA-N 2 0 308.469 3.784 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000075835716 341185315 /nfs/dbraw/zinc/18/53/15/341185315.db2.gz NBJUHDKKMIBHOL-GOSISDBHSA-N 2 0 323.484 3.851 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CN1Cc1ccccc1 ZINC000237482909 341214805 /nfs/dbraw/zinc/21/48/05/341214805.db2.gz JTIREOUUTJOUMP-OXQOHEQNSA-N 2 0 319.452 3.921 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000134488623 341216310 /nfs/dbraw/zinc/21/63/10/341216310.db2.gz IGYGFNGGLHROHC-QGZVFWFLSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1CCCCC[NH+]1CC1(C[N@H+]2CCCCC[C@H]2C)COC1 ZINC000547623642 341223615 /nfs/dbraw/zinc/22/36/15/341223615.db2.gz UGTMDBSPCZUTTP-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000548154156 341249873 /nfs/dbraw/zinc/24/98/73/341249873.db2.gz KDULSZDYQQSLJY-YTQUADARSA-N 2 0 318.505 3.548 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC34CCOCC4)CC2)CC1 ZINC000548858158 341278372 /nfs/dbraw/zinc/27/83/72/341278372.db2.gz RJUTXVWSHPSNPZ-ACBHZAAOSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1cccn2c(CN3CCS[C@H]4CCCC[C@H]43)cnc12 ZINC000245692330 341309853 /nfs/dbraw/zinc/30/98/53/341309853.db2.gz BRMMBNGXAXTPBI-CVEARBPZSA-N 2 0 301.459 3.503 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)CC[C@H]21 ZINC000245725844 341311966 /nfs/dbraw/zinc/31/19/66/341311966.db2.gz DSPKTRFXUSTXSN-JOHXTKAHSA-N 2 0 304.865 3.769 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000245982442 341321000 /nfs/dbraw/zinc/32/10/00/341321000.db2.gz GZJSAOINMRYRAC-MBOZVWFJSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCC23CCCC3)CCCO1 ZINC000550797154 341323311 /nfs/dbraw/zinc/32/33/11/341323311.db2.gz MYCVBRHICBQIQG-ZWKOTPCHSA-N 2 0 308.510 3.580 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000550835509 341324043 /nfs/dbraw/zinc/32/40/43/341324043.db2.gz JZUJJJDRSMFATK-RUCARUNLSA-N 2 0 302.437 3.536 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000551005691 341328990 /nfs/dbraw/zinc/32/89/90/341328990.db2.gz OAIYKKOGDZOGET-HXUWFJFHSA-N 2 0 324.468 3.620 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551516394 341343488 /nfs/dbraw/zinc/34/34/88/341343488.db2.gz OOGODXVNZKTOEU-ZWKOTPCHSA-N 2 0 316.489 3.554 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551516393 341343512 /nfs/dbraw/zinc/34/35/12/341343512.db2.gz OOGODXVNZKTOEU-ROUUACIJSA-N 2 0 316.489 3.554 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551516391 341343533 /nfs/dbraw/zinc/34/35/33/341343533.db2.gz OOGODXVNZKTOEU-MSOLQXFVSA-N 2 0 316.489 3.554 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000551530335 341344090 /nfs/dbraw/zinc/34/40/90/341344090.db2.gz RLUGFFISMLJURE-IBGZPJMESA-N 2 0 316.489 3.685 20 0 DHADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000551543077 341344925 /nfs/dbraw/zinc/34/49/25/341344925.db2.gz QXOMBXUGSPMSQB-HZPDHXFCSA-N 2 0 314.395 3.883 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246439838 341348903 /nfs/dbraw/zinc/34/89/03/341348903.db2.gz OMSJOCFEYGPDNJ-GDAAHCPNSA-N 2 0 310.526 3.559 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000551815621 341352851 /nfs/dbraw/zinc/35/28/51/341352851.db2.gz CMZDPWLYTVAIMR-FQEVSTJZSA-N 2 0 316.489 3.684 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000246822810 341357415 /nfs/dbraw/zinc/35/74/15/341357415.db2.gz AABWRRRDUBBGNA-OWCLPIDISA-N 2 0 324.896 3.880 20 0 DHADRP CCCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246932161 341358722 /nfs/dbraw/zinc/35/87/22/341358722.db2.gz HEMLZIASNSLDCI-JTDSTZFVSA-N 2 0 304.478 3.684 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)Oc1ccccc1Cl ZINC000247175997 341361892 /nfs/dbraw/zinc/36/18/92/341361892.db2.gz SVYXOGAKXDPXRN-BFYDXBDKSA-N 2 0 324.896 3.817 20 0 DHADRP C[C@@H]1C[C@@H](N[C@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000247340153 341363777 /nfs/dbraw/zinc/36/37/77/341363777.db2.gz NSOUJGZPKWAIMK-UIAACRFSSA-N 2 0 312.432 3.987 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccco2)CC1 ZINC000552040324 341364065 /nfs/dbraw/zinc/36/40/65/341364065.db2.gz ZJWCTLSFVHNCQZ-UHFFFAOYSA-N 2 0 312.457 3.855 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000552049456 341365136 /nfs/dbraw/zinc/36/51/36/341365136.db2.gz WBMAXRCAGWXRBB-SNPRPXQTSA-N 2 0 313.272 3.956 20 0 DHADRP COc1cccc([C@H](C[NH2+][C@@H]2CC=C(C)CC2)N2CCCC2)c1 ZINC000552095736 341369500 /nfs/dbraw/zinc/36/95/00/341369500.db2.gz OHADKNOXAZQHRR-QUCCMNQESA-N 2 0 314.473 3.921 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000247960703 341371578 /nfs/dbraw/zinc/37/15/78/341371578.db2.gz GFKZPBXKJAJKHV-XLIONFOSSA-N 2 0 318.505 3.698 20 0 DHADRP COc1ccccc1C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(C)C ZINC000552245998 341380858 /nfs/dbraw/zinc/38/08/58/341380858.db2.gz DGLPZMFVKMPVPA-ACBHZAAOSA-N 2 0 318.505 3.725 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1ccccc1Cl ZINC000552276162 341383262 /nfs/dbraw/zinc/38/32/62/341383262.db2.gz NOUXDTOGEFXPMD-SRABZTEZSA-N 2 0 322.880 3.570 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1ccccc1Cl ZINC000552276163 341383268 /nfs/dbraw/zinc/38/32/68/341383268.db2.gz NOUXDTOGEFXPMD-WTTBNOFXSA-N 2 0 322.880 3.570 20 0 DHADRP CCSc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000248802804 341387230 /nfs/dbraw/zinc/38/72/30/341387230.db2.gz ZNNUTZRSEOPILG-YJBOKZPZSA-N 2 0 306.519 3.961 20 0 DHADRP C([C@@H]1CCC2(CCCCC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248849204 341388522 /nfs/dbraw/zinc/38/85/22/341388522.db2.gz PRDIZCIZJZZFPM-OALUTQOASA-N 2 0 320.521 3.676 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)[C@@H](C)C1 ZINC000248885926 341389364 /nfs/dbraw/zinc/38/93/64/341389364.db2.gz QYELLOAZGUVPFX-JXFKEZNVSA-N 2 0 316.489 3.638 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCCCC3)O2)[C@@H](C)C1 ZINC000248887267 341389425 /nfs/dbraw/zinc/38/94/25/341389425.db2.gz YAJYHJHOCPPNOF-BZSNNMDCSA-N 2 0 308.510 3.530 20 0 DHADRP CCOC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000248956335 341390719 /nfs/dbraw/zinc/39/07/19/341390719.db2.gz AORZJCMCRQLXOX-QRQLOZEOSA-N 2 0 310.526 3.680 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c(C)c1 ZINC000249119291 341394312 /nfs/dbraw/zinc/39/43/12/341394312.db2.gz SLMBTGPFDWULHH-VQIMIIECSA-N 2 0 304.478 3.604 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249173732 341394894 /nfs/dbraw/zinc/39/48/94/341394894.db2.gz DBMPGDSBYNQFKZ-CJGGRQNCSA-N 2 0 300.490 3.716 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000249483745 341398142 /nfs/dbraw/zinc/39/81/42/341398142.db2.gz TZHKZQHVMZUKNM-PKOBYXMFSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1c[nH+]ccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000554800707 341464356 /nfs/dbraw/zinc/46/43/56/341464356.db2.gz DUEQVPPMCPRVOK-UHFFFAOYSA-N 2 0 315.848 3.542 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000564816897 341510565 /nfs/dbraw/zinc/51/05/65/341510565.db2.gz VGPYVJPJFWJRLF-LJQANCHMSA-N 2 0 316.489 3.839 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000565549791 341530735 /nfs/dbraw/zinc/53/07/35/341530735.db2.gz SIIFDYLKWNMTIE-ZIAGYGMSSA-N 2 0 321.877 3.823 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000569211357 341694180 /nfs/dbraw/zinc/69/41/80/341694180.db2.gz FXOACUXZKXITOB-SNVBAGLBSA-N 2 0 318.795 3.592 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000572830527 341705761 /nfs/dbraw/zinc/70/57/61/341705761.db2.gz KAXQJQSSTWSFAE-CYBMUJFWSA-N 2 0 309.523 3.957 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000573981617 341745030 /nfs/dbraw/zinc/74/50/30/341745030.db2.gz RLLDZYMYPXXSDN-IBGZPJMESA-N 2 0 316.489 3.739 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000336711930 341803930 /nfs/dbraw/zinc/80/39/30/341803930.db2.gz LOYFVDOAABYQIT-QGZVFWFLSA-N 2 0 312.457 3.873 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000576279811 341837827 /nfs/dbraw/zinc/83/78/27/341837827.db2.gz HKZOSEIDHMGMMT-AWEZNQCLSA-N 2 0 300.471 3.588 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000576755029 341861638 /nfs/dbraw/zinc/86/16/38/341861638.db2.gz BOCOMWKMOJAYAB-QQSUMNJZSA-N 2 0 324.468 3.994 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000576755030 341861673 /nfs/dbraw/zinc/86/16/73/341861673.db2.gz BOCOMWKMOJAYAB-TYKASLFTSA-N 2 0 324.468 3.994 20 0 DHADRP COc1ccc(C2CCC([NH2+]CCC[NH2+]C(C)C)CC2)cc1 ZINC000577383033 341907148 /nfs/dbraw/zinc/90/71/48/341907148.db2.gz KUNMOZSUZJTAOM-UHFFFAOYSA-N 2 0 304.478 3.699 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])CC3 ZINC000578005261 341968281 /nfs/dbraw/zinc/96/82/81/341968281.db2.gz XELBRDYRNGJDMU-WIBUTAKZSA-N 2 0 311.473 3.583 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000249377562 521717886 /nfs/dbraw/zinc/71/78/86/521717886.db2.gz MHRMYQZDIIUXGL-CHWSQXEVSA-N 2 0 316.367 3.578 20 0 DHADRP C[N@H+](CCCCCOc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000189701885 522732568 /nfs/dbraw/zinc/73/25/68/522732568.db2.gz JENGOYIUVFPUTP-SFHVURJKSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H]([NH2+]CC1(C[NH2+][C@@H](C)c2ccccc2)COC1)c1ccccc1 ZINC000182417464 525316299 /nfs/dbraw/zinc/31/62/99/525316299.db2.gz ZQXSMRUPZZBTSO-ROUUACIJSA-N 2 0 324.468 3.705 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)COC2 ZINC000268765008 525434429 /nfs/dbraw/zinc/43/44/29/525434429.db2.gz IVLZONKWSFUAMF-QGZVFWFLSA-N 2 0 316.489 3.880 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccnc2)cc1 ZINC000181325519 525458219 /nfs/dbraw/zinc/45/82/19/525458219.db2.gz FQFFFYSRQZWHCW-OXQOHEQNSA-N 2 0 309.457 3.884 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774691 525482611 /nfs/dbraw/zinc/48/26/11/525482611.db2.gz FEEQLFLHQVAZBJ-CVEARBPZSA-N 2 0 316.489 3.999 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000162584533 525536300 /nfs/dbraw/zinc/53/63/00/525536300.db2.gz OCSLLJUUORLXMZ-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP Cc1ccc2cc(C[NH2+]CCCCC[NH+]3CCCC3)ccc2n1 ZINC000339496874 526230336 /nfs/dbraw/zinc/23/03/36/526230336.db2.gz FMZKFAAPLUFGCX-UHFFFAOYSA-N 2 0 311.473 3.899 20 0 DHADRP Cc1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C)s1 ZINC000336856053 526852133 /nfs/dbraw/zinc/85/21/33/526852133.db2.gz KBSPGPGJONRHEN-UHFFFAOYSA-N 2 0 321.534 3.848 20 0 DHADRP Cc1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000236666766 527273624 /nfs/dbraw/zinc/27/36/24/527273624.db2.gz PZCUOQAOWHSALK-UHFFFAOYSA-N 2 0 303.475 3.582 20 0 DHADRP CC(F)(F)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000297436850 535206774 /nfs/dbraw/zinc/20/67/74/535206774.db2.gz VVSRWIVHTXASKY-BJWYYQGGSA-N 2 0 308.416 3.817 20 0 DHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]CC2(C)COC2)cc1 ZINC000285514647 535993350 /nfs/dbraw/zinc/99/33/50/535993350.db2.gz RCZBNAVZKNDAMZ-UHFFFAOYSA-N 2 0 324.468 3.541 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1O ZINC000289515683 536886581 /nfs/dbraw/zinc/88/65/81/536886581.db2.gz ANHYRMGRBKFCPH-MRXNPFEDSA-N 2 0 320.477 3.708 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000289211428 537020967 /nfs/dbraw/zinc/02/09/67/537020967.db2.gz KMNOYQAYBGYHMK-PBHICJAKSA-N 2 0 320.452 3.532 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC001168295054 1032065910 /nfs/dbraw/zinc/06/59/10/1032065910.db2.gz RRQAWVCQHOFTKO-UHFFFAOYSA-N 2 0 312.910 3.895 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649361 1013207444 /nfs/dbraw/zinc/20/74/44/1013207444.db2.gz KUQGXZZMFQPLSD-OLZOCXBDSA-N 2 0 323.278 3.584 20 0 DHADRP c1ccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2c1 ZINC001167964773 1013227076 /nfs/dbraw/zinc/22/70/76/1013227076.db2.gz XUJYBJHDARWDFT-IHWFROFDSA-N 2 0 321.468 3.730 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000518959601 1013252021 /nfs/dbraw/zinc/25/20/21/1013252021.db2.gz AZLKTFLDHDBUBJ-HNNXBMFYSA-N 2 0 300.368 3.746 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCSc2ccc(F)cc2)CC1 ZINC000120774207 1013328470 /nfs/dbraw/zinc/32/84/70/1013328470.db2.gz RXFJDPLWRKDNSW-UHFFFAOYSA-N 2 0 310.482 3.772 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415011612 1013330063 /nfs/dbraw/zinc/33/00/63/1013330063.db2.gz WHQHMVODUUXLST-SFTDATJTSA-N 2 0 322.496 3.948 20 0 DHADRP CC(C)[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccn1 ZINC001167967913 1013348085 /nfs/dbraw/zinc/34/80/85/1013348085.db2.gz LAAFIQTYRXNKMO-DLZDZTESSA-N 2 0 313.489 3.774 20 0 DHADRP Oc1cccc2sc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc21 ZINC000894575353 1013422784 /nfs/dbraw/zinc/42/27/84/1013422784.db2.gz DSTFXUNJMWDDJN-UHFFFAOYSA-N 2 0 316.470 3.571 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121276354 1013515669 /nfs/dbraw/zinc/51/56/69/1013515669.db2.gz BNIYMXLDNMXUKS-SFHVURJKSA-N 2 0 308.416 3.664 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000530663125 1013535079 /nfs/dbraw/zinc/53/50/79/1013535079.db2.gz LXWSPMIPDTUEIP-INIZCTEOSA-N 2 0 324.896 3.773 20 0 DHADRP Cc1cnccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000519800991 1013607222 /nfs/dbraw/zinc/60/72/22/1013607222.db2.gz JZCPDOGRDMHIMJ-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925095478 1013643970 /nfs/dbraw/zinc/64/39/70/1013643970.db2.gz UHLKSHYWPFIISV-UWVAXJGDSA-N 2 0 320.521 3.602 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CS1 ZINC000655703610 1013654761 /nfs/dbraw/zinc/65/47/61/1013654761.db2.gz IZTWSENLWREUFC-BZUAXINKSA-N 2 0 324.559 3.834 20 0 DHADRP CCCc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000655703585 1013654912 /nfs/dbraw/zinc/65/49/12/1013654912.db2.gz IRAQDGVYPGUOFE-JXFKEZNVSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CS1 ZINC000655722154 1013665260 /nfs/dbraw/zinc/66/52/60/1013665260.db2.gz YHXQPCVZJAVJDS-ISARSNTHSA-N 2 0 318.530 3.913 20 0 DHADRP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150798879 1013676418 /nfs/dbraw/zinc/67/64/18/1013676418.db2.gz QTUGGNXXMNHWGO-GOSISDBHSA-N 2 0 324.468 3.636 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655751387 1013686309 /nfs/dbraw/zinc/68/63/09/1013686309.db2.gz BLKSMHQQCUYYGC-NEPXVJNWSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000655806135 1013728325 /nfs/dbraw/zinc/72/83/25/1013728325.db2.gz PRQUBYLBKUSXAO-SDDRHHMPSA-N 2 0 301.261 3.984 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000655804012 1013727775 /nfs/dbraw/zinc/72/77/75/1013727775.db2.gz LUWFJSSZFURHGH-WCZJQEMASA-N 2 0 306.881 3.906 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OC(F)F)cc1 ZINC000655807517 1013729342 /nfs/dbraw/zinc/72/93/42/1013729342.db2.gz NXRUOAJNCYICGD-IVMMDQJWSA-N 2 0 312.404 3.669 20 0 DHADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441397493 1013734537 /nfs/dbraw/zinc/73/45/37/1013734537.db2.gz WRKRSRVYEOJGBC-UMGGQSCQSA-N 2 0 320.521 3.530 20 0 DHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000655838701 1013761860 /nfs/dbraw/zinc/76/18/60/1013761860.db2.gz HSPTWIORSWGRRS-SAABIXHNSA-N 2 0 308.510 3.719 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894987380 1013768985 /nfs/dbraw/zinc/76/89/85/1013768985.db2.gz ZECKLJVIQIYWPB-LBPRGKRZSA-N 2 0 323.893 3.771 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@H]1CCCCO1 ZINC000655849059 1013778850 /nfs/dbraw/zinc/77/88/50/1013778850.db2.gz MEEPDWODHKIFHE-IJXRJRJASA-N 2 0 322.537 3.967 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CC2 ZINC000647978875 1013796439 /nfs/dbraw/zinc/79/64/39/1013796439.db2.gz ZPLBQJISIIXMII-TXPKVOOTSA-N 2 0 302.437 3.525 20 0 DHADRP C[N@H+](CCC[NH2+][C@H]1CCCc2c(O)cccc21)Cc1ccccc1 ZINC000340466090 1013827886 /nfs/dbraw/zinc/82/78/86/1013827886.db2.gz KXDPDQDZDDFHDO-FQEVSTJZSA-N 2 0 324.468 3.881 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340471213 1013838640 /nfs/dbraw/zinc/83/86/40/1013838640.db2.gz SYIJRHYKDWZXQK-XHSDSOJGSA-N 2 0 307.457 3.629 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CCCO2 ZINC000340475494 1013856427 /nfs/dbraw/zinc/85/64/27/1013856427.db2.gz CNAYBWSCLUEAMC-SFHVURJKSA-N 2 0 320.452 3.895 20 0 DHADRP Clc1ccc(OCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441452652 1013889989 /nfs/dbraw/zinc/88/99/89/1013889989.db2.gz BOWDNCQMNGURFS-INIZCTEOSA-N 2 0 322.880 3.527 20 0 DHADRP Clc1ccc(OCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441452654 1013890615 /nfs/dbraw/zinc/89/06/15/1013890615.db2.gz BOWDNCQMNGURFS-MRXNPFEDSA-N 2 0 322.880 3.527 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000344305752 1013893810 /nfs/dbraw/zinc/89/38/10/1013893810.db2.gz VUYUNFQSGFSEBN-OAHLLOKOSA-N 2 0 308.878 3.728 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188744286 1013894575 /nfs/dbraw/zinc/89/45/75/1013894575.db2.gz DBMPGDSBYNQFKZ-BDUQCRIQSA-N 2 0 300.490 3.716 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCOc2cccc3ccccc32)CC1 ZINC001168298434 1032078028 /nfs/dbraw/zinc/07/80/28/1032078028.db2.gz TVTPEBXYOXOJDA-UHFFFAOYSA-N 2 0 312.457 3.681 20 0 DHADRP c1cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2cn1 ZINC000683831163 1014053114 /nfs/dbraw/zinc/05/31/14/1014053114.db2.gz KXKHREOFJHCLOC-SFHVURJKSA-N 2 0 309.457 3.543 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000564583993 1014048820 /nfs/dbraw/zinc/04/88/20/1014048820.db2.gz CTSKMCBZUAYAMG-GJZGRUSLSA-N 2 0 314.395 3.843 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1OC ZINC000348650494 1014137868 /nfs/dbraw/zinc/13/78/68/1014137868.db2.gz YMZNLWVLBCYAPD-FHERZECASA-N 2 0 320.477 3.536 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000580461000 1014143077 /nfs/dbraw/zinc/14/30/77/1014143077.db2.gz GAJPVFFWVYETFU-IUODEOHRSA-N 2 0 304.821 3.912 20 0 DHADRP Cc1ccc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)ccc2n1 ZINC000189658674 1014203158 /nfs/dbraw/zinc/20/31/58/1014203158.db2.gz RLCOOMQYTYLEGG-UHFFFAOYSA-N 2 0 323.484 3.851 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000580624534 1014255875 /nfs/dbraw/zinc/25/58/75/1014255875.db2.gz VBHQPHPNWLWECQ-IEBWSBKVSA-N 2 0 318.505 3.692 20 0 DHADRP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429366 1014282293 /nfs/dbraw/zinc/28/22/93/1014282293.db2.gz ISPCXEMLFRJKFS-ICSRJNTNSA-N 2 0 312.501 3.914 20 0 DHADRP CC[C@@H](C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000580678416 1014283653 /nfs/dbraw/zinc/28/36/53/1014283653.db2.gz WWJCWLOEPYHLIB-PXNSSMCTSA-N 2 0 300.490 3.844 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000645407002 1014369291 /nfs/dbraw/zinc/36/92/91/1014369291.db2.gz WQLGPUWVODGEBI-HKUYNNGSSA-N 2 0 318.892 3.735 20 0 DHADRP CSC1(C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC[NH+](C)CC1 ZINC000580863139 1014410113 /nfs/dbraw/zinc/41/01/13/1014410113.db2.gz PAUJDWYBKAJBKJ-RDJZCZTQSA-N 2 0 318.530 3.960 20 0 DHADRP C[C@@H]1CC([NH2+][C@H]2CC[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006644 1014421388 /nfs/dbraw/zinc/42/13/88/1014421388.db2.gz NWBZDDZEFISPAK-AHCXZYCDSA-N 2 0 304.453 3.908 20 0 DHADRP C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000926128683 1014455200 /nfs/dbraw/zinc/45/52/00/1014455200.db2.gz UHTOOZROPIVFKL-ZIAGYGMSSA-N 2 0 301.409 3.694 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237617 1014510136 /nfs/dbraw/zinc/51/01/36/1014510136.db2.gz FPJMGVJKKUPXDU-RHSMWYFYSA-N 2 0 300.471 3.893 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000581006085 1014512277 /nfs/dbraw/zinc/51/22/77/1014512277.db2.gz ZOCIQRJXRIKQFZ-FNAHMZNBSA-N 2 0 309.457 3.651 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000665247573 1014537504 /nfs/dbraw/zinc/53/75/04/1014537504.db2.gz FNVSHAHYUBLNBG-WBVHZDCISA-N 2 0 320.452 3.722 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000581103125 1014563241 /nfs/dbraw/zinc/56/32/41/1014563241.db2.gz MSMTWORTUUJWMN-UHFFFAOYSA-N 2 0 300.490 3.503 20 0 DHADRP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089722849 1014590842 /nfs/dbraw/zinc/59/08/42/1014590842.db2.gz UNPRZRMUAIBJMZ-QZTJIDSGSA-N 2 0 316.489 3.579 20 0 DHADRP Cc1ccc2oc(C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)cc2c1 ZINC000665261575 1014596957 /nfs/dbraw/zinc/59/69/57/1014596957.db2.gz GQPDPXVJSPQKSY-CYBMUJFWSA-N 2 0 309.413 3.754 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000065976598 1014614727 /nfs/dbraw/zinc/61/47/27/1014614727.db2.gz SOIILNKTHWOLRT-UHFFFAOYSA-N 2 0 300.421 3.956 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000665272305 1014632525 /nfs/dbraw/zinc/63/25/25/1014632525.db2.gz CBYPTHOYVHAHKE-DTWKUNHWSA-N 2 0 308.310 3.755 20 0 DHADRP CSC1(C[NH2+][C@@H](C)CCc2ccccc2F)CC[NH+](C)CC1 ZINC000521122628 1014646230 /nfs/dbraw/zinc/64/62/30/1014646230.db2.gz XDKCTMVBDQTWMS-HNNXBMFYSA-N 2 0 324.509 3.564 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000665281185 1014665083 /nfs/dbraw/zinc/66/50/83/1014665083.db2.gz WRQCPBHDDGYXEB-CGTJXYLNSA-N 2 0 322.468 3.824 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c2ccccc2)cc1 ZINC000665281490 1014674477 /nfs/dbraw/zinc/67/44/77/1014674477.db2.gz FAXVSIVVTJKPDV-UXHICEINSA-N 2 0 312.457 3.748 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000665282287 1014677175 /nfs/dbraw/zinc/67/71/75/1014677175.db2.gz VAZJLAJVDRWFEP-CZUORRHYSA-N 2 0 316.411 3.990 20 0 DHADRP Cc1cccc2c1CCC[C@H]2[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665282920 1014678366 /nfs/dbraw/zinc/67/83/66/1014678366.db2.gz DXKPBTPRKSMAMP-FOIQADDNSA-N 2 0 309.457 3.885 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000581304615 1014693712 /nfs/dbraw/zinc/69/37/12/1014693712.db2.gz RRGGUWJGEYITFS-GDBMZVCRSA-N 2 0 314.395 3.931 20 0 DHADRP CCN(C)CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781733 1014729088 /nfs/dbraw/zinc/72/90/88/1014729088.db2.gz PWGGKQSLXHCUAX-GDBMZVCRSA-N 2 0 314.395 3.883 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC000665300495 1014780784 /nfs/dbraw/zinc/78/07/84/1014780784.db2.gz CWCDVUYLBDIEOU-JSGCOSHPSA-N 2 0 302.384 3.513 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000581411940 1014796261 /nfs/dbraw/zinc/79/62/61/1014796261.db2.gz RGQYRFXWGLSUKA-MOPGFXCFSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060638 1014797577 /nfs/dbraw/zinc/79/75/77/1014797577.db2.gz PKEUJVYRVKRUFH-STQMWFEESA-N 2 0 322.403 3.553 20 0 DHADRP FC(F)(F)c1ccc(C2([NH2+][C@H]3CCC[NH2+]CC3)CCC2)cc1 ZINC000622043727 1014956302 /nfs/dbraw/zinc/95/63/02/1014956302.db2.gz JBFCFHUNZRLKRB-HNNXBMFYSA-N 2 0 312.379 3.816 20 0 DHADRP C[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000639303952 1015054549 /nfs/dbraw/zinc/05/45/49/1015054549.db2.gz PMCKOTAHOVHBDZ-QGZVFWFLSA-N 2 0 322.537 3.683 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)[C@@H](C)C1 ZINC000443656971 1015084528 /nfs/dbraw/zinc/08/45/28/1015084528.db2.gz MEAOCXBGYYBWCK-HAGHYFMRSA-N 2 0 322.537 3.705 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000428287897 1015117961 /nfs/dbraw/zinc/11/79/61/1015117961.db2.gz OSAYLMNOCDWZFU-GOSISDBHSA-N 2 0 302.506 3.800 20 0 DHADRP CC(C)Oc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000051907785 1015128781 /nfs/dbraw/zinc/12/87/81/1015128781.db2.gz WHIAMADEQLZFMS-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1[nH+]ccc(C)c1C1CC1 ZINC000656779434 1015153991 /nfs/dbraw/zinc/15/39/91/1015153991.db2.gz OURPIGGHESLQFD-UHFFFAOYSA-N 2 0 319.412 3.769 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Cl ZINC000656785618 1015156079 /nfs/dbraw/zinc/15/60/79/1015156079.db2.gz MVVQEUBJBAOEJJ-MRXNPFEDSA-N 2 0 322.880 3.560 20 0 DHADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000656783868 1015157303 /nfs/dbraw/zinc/15/73/03/1015157303.db2.gz AWTVDNKXYFLIKH-MRXNPFEDSA-N 2 0 322.880 3.560 20 0 DHADRP CSc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786675 1015159402 /nfs/dbraw/zinc/15/94/02/1015159402.db2.gz WHQIAJHULYALOD-KRWDZBQOSA-N 2 0 304.503 3.620 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000324031289 1015167906 /nfs/dbraw/zinc/16/79/06/1015167906.db2.gz BLQOXKBDDBEBMQ-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cccc2cccnc21 ZINC000261750344 1015187816 /nfs/dbraw/zinc/18/78/16/1015187816.db2.gz OVHHIWVDJBPYAP-APWZRJJASA-N 2 0 311.473 3.678 20 0 DHADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000261751445 1015196637 /nfs/dbraw/zinc/19/66/37/1015196637.db2.gz UTTRYXZZHAMLOK-QHAWAJNXSA-N 2 0 323.484 3.804 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc2ccncc2s1 ZINC000895683504 1015260667 /nfs/dbraw/zinc/26/06/67/1015260667.db2.gz MMRDYZPTNPJRAO-UHFFFAOYSA-N 2 0 317.502 3.994 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cccc2cnccc21 ZINC000895683263 1015261017 /nfs/dbraw/zinc/26/10/17/1015261017.db2.gz KTDMCHHUQHVTQD-UHFFFAOYSA-N 2 0 311.473 3.933 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000634732749 1015279403 /nfs/dbraw/zinc/27/94/03/1015279403.db2.gz NWGTZXQJFIFFCG-GFCCVEGCSA-N 2 0 321.515 3.739 20 0 DHADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261594672 1015306486 /nfs/dbraw/zinc/30/64/86/1015306486.db2.gz AZRPDOSZBMAWKP-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926175088 1015326454 /nfs/dbraw/zinc/32/64/54/1015326454.db2.gz NULRKGWATBKCHD-VQIMIIECSA-N 2 0 304.478 3.748 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000581800421 1015337464 /nfs/dbraw/zinc/33/74/64/1015337464.db2.gz JWKIVDYRLKAYKC-ZDUSSCGKSA-N 2 0 315.486 3.769 20 0 DHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000115616497 1015350110 /nfs/dbraw/zinc/35/01/10/1015350110.db2.gz OKLDBDCUQTYNMN-UHFFFAOYSA-N 2 0 316.420 3.826 20 0 DHADRP CC(C)C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000474463340 1015379333 /nfs/dbraw/zinc/37/93/33/1015379333.db2.gz YWQPGBHHGHVTEB-PKOBYXMFSA-N 2 0 300.490 3.890 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)CCO2 ZINC000161043337 1015385760 /nfs/dbraw/zinc/38/57/60/1015385760.db2.gz MBRGXZANVJOYKF-BZSNNMDCSA-N 2 0 302.462 3.535 20 0 DHADRP C[NH+](C)CCC[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000474488383 1015390589 /nfs/dbraw/zinc/39/05/89/1015390589.db2.gz MGQRDXLDDHYQEV-UHFFFAOYSA-N 2 0 302.384 3.569 20 0 DHADRP CCCCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000097444933 1015421012 /nfs/dbraw/zinc/42/10/12/1015421012.db2.gz PRTPWSIOVDNXMG-GOSISDBHSA-N 2 0 304.478 3.687 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(C)C)C2)[C@H](C)C1 ZINC000474724422 1015565872 /nfs/dbraw/zinc/56/58/72/1015565872.db2.gz WEYPJINYYYFFQF-WCIQWLHISA-N 2 0 324.553 3.928 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000474724421 1015566244 /nfs/dbraw/zinc/56/62/44/1015566244.db2.gz WEYPJINYYYFFQF-NMLBUPMWSA-N 2 0 324.553 3.928 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000896388590 1015567341 /nfs/dbraw/zinc/56/73/41/1015567341.db2.gz ZIMJKCUMUZQLRV-HSBZDZAISA-N 2 0 305.293 3.567 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2c(F)ccc(O)c2F)CC1 ZINC000896390801 1015569402 /nfs/dbraw/zinc/56/94/02/1015569402.db2.gz GQVZDJRIWRDQOS-UHFFFAOYSA-N 2 0 324.415 3.557 20 0 DHADRP CCc1cccc(F)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000474818695 1015618753 /nfs/dbraw/zinc/61/87/53/1015618753.db2.gz UQMQNFIOWVDVLJ-UHFFFAOYSA-N 2 0 318.411 3.879 20 0 DHADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474823516 1015623614 /nfs/dbraw/zinc/62/36/14/1015623614.db2.gz UXXGHOSBOHNMSQ-IKOXMDCHSA-N 2 0 312.910 3.966 20 0 DHADRP CCOC1CC(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926259890 1015690123 /nfs/dbraw/zinc/69/01/23/1015690123.db2.gz OYNNKSOLOSWMGP-LYGPFTKASA-N 2 0 304.478 3.604 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCCCCCO)CC1 ZINC000178391487 1015719068 /nfs/dbraw/zinc/71/90/68/1015719068.db2.gz LAYGPYRIYWQETD-LJQANCHMSA-N 2 0 324.553 3.906 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000684558005 1015737111 /nfs/dbraw/zinc/73/71/11/1015737111.db2.gz TVWIVCYTYAUBBZ-POZUXBRTSA-N 2 0 304.453 3.782 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001168303977 1032127621 /nfs/dbraw/zinc/12/76/21/1032127621.db2.gz IEMGAGAAJUWDCQ-UHFFFAOYSA-N 2 0 316.489 3.828 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000281128592 1015837522 /nfs/dbraw/zinc/83/75/22/1015837522.db2.gz DVHNAZGJAZUKHA-KSSFIOAISA-N 2 0 320.452 3.532 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281141567 1015840640 /nfs/dbraw/zinc/84/06/40/1015840640.db2.gz FXMXWTMKBAHSCO-BEFAXECRSA-N 2 0 319.468 3.916 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2ccccc2)c2ccc(O)cc2)CC1 ZINC001168304256 1032129891 /nfs/dbraw/zinc/12/98/91/1032129891.db2.gz RBQNBSBZTAHNSM-GZNCHQMQSA-N 2 0 324.468 3.944 20 0 DHADRP C[C@@H]([NH2+]C1CC(F)(c2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000684612177 1015889830 /nfs/dbraw/zinc/88/98/30/1015889830.db2.gz AYVKZPJOPHHEHD-NLNFPOJYSA-N 2 0 324.871 3.987 20 0 DHADRP COc1cccc(CC(C)(C)C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168304917 1032139652 /nfs/dbraw/zinc/13/96/52/1032139652.db2.gz BBVXTALNICZOBA-UHFFFAOYSA-N 2 0 318.505 3.726 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000102418868 1016141418 /nfs/dbraw/zinc/14/14/18/1016141418.db2.gz WXHYDVQINFWOSA-MRXNPFEDSA-N 2 0 302.462 3.563 20 0 DHADRP COc1ccccc1[C@@H](CC(C)C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000342308904 1016251050 /nfs/dbraw/zinc/25/10/50/1016251050.db2.gz URQFTVSKRPJFNX-SJLPKXTDSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657311210 1016281732 /nfs/dbraw/zinc/28/17/32/1016281732.db2.gz IDZWGDGGYCVKHP-ZDUSSCGKSA-N 2 0 314.395 3.848 20 0 DHADRP COCc1csc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000657312542 1016301805 /nfs/dbraw/zinc/30/18/05/1016301805.db2.gz KLZKLMUUOSSQCX-HOTGVXAUSA-N 2 0 324.534 3.742 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)cn1 ZINC000152120726 1016350919 /nfs/dbraw/zinc/35/09/19/1016350919.db2.gz HXHIYUOLIGYTAX-MRXNPFEDSA-N 2 0 323.444 3.560 20 0 DHADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000386363070 1016401252 /nfs/dbraw/zinc/40/12/52/1016401252.db2.gz DGMDHXKZYYXHKE-IBGZPJMESA-N 2 0 301.478 3.999 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCCO1 ZINC000346486857 1016417729 /nfs/dbraw/zinc/41/77/29/1016417729.db2.gz OPUYTVZPEUDLQC-FXAWDEMLSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCO1 ZINC000346498453 1016419780 /nfs/dbraw/zinc/41/97/80/1016419780.db2.gz YGVXRYQOGXDMLE-ZWOKBUDYSA-N 2 0 316.489 3.718 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1 ZINC000629694143 1016538488 /nfs/dbraw/zinc/53/84/88/1016538488.db2.gz GLZVHXMWCAUMIE-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000171133708 1016538904 /nfs/dbraw/zinc/53/89/04/1016538904.db2.gz UOVNPANCGRYBPA-LJQANCHMSA-N 2 0 310.441 3.752 20 0 DHADRP COc1cc(C)c(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1C ZINC000629710116 1016583755 /nfs/dbraw/zinc/58/37/55/1016583755.db2.gz AEMQCPLNNJFHQT-UHFFFAOYSA-N 2 0 324.468 3.902 20 0 DHADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1 ZINC000346830319 1016590738 /nfs/dbraw/zinc/59/07/38/1016590738.db2.gz ZZEQXWIMKLQOCB-OAHLLOKOSA-N 2 0 319.493 3.634 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152434869 1016683912 /nfs/dbraw/zinc/68/39/12/1016683912.db2.gz ROOAIMBYSBAMQT-LPHOPBHVSA-N 2 0 314.473 3.591 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1CCCOc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000582414853 1016720543 /nfs/dbraw/zinc/72/05/43/1016720543.db2.gz SUPSFIWCEDZQLW-OAHLLOKOSA-N 2 0 322.880 3.573 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2cccnc12 ZINC000347096360 1016728609 /nfs/dbraw/zinc/72/86/09/1016728609.db2.gz HWIKCQGOAZIDJY-LJQANCHMSA-N 2 0 309.457 3.507 20 0 DHADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc(-c2ccncc2)c1 ZINC000347096119 1016728722 /nfs/dbraw/zinc/72/87/22/1016728722.db2.gz IXZIYPTZPHLVER-OAQYLSRUSA-N 2 0 321.468 3.713 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000347084207 1016731757 /nfs/dbraw/zinc/73/17/57/1016731757.db2.gz ZZDABWGIBODVHC-GOEBONIOSA-N 2 0 315.486 3.678 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000347102612 1016743610 /nfs/dbraw/zinc/74/36/10/1016743610.db2.gz MPWDKJKHBQWFMA-QGZVFWFLSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000347189110 1016779207 /nfs/dbraw/zinc/77/92/07/1016779207.db2.gz DAERVMNCRGEPKG-HNNXBMFYSA-N 2 0 302.462 3.567 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339068216 1016788834 /nfs/dbraw/zinc/78/88/34/1016788834.db2.gz MRWHOCCYYCXNNG-MDNKFWRPSA-N 2 0 316.489 3.617 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000281940317 1016827255 /nfs/dbraw/zinc/82/72/55/1016827255.db2.gz ABPADWKWJMQFRO-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000671297550 1016880259 /nfs/dbraw/zinc/88/02/59/1016880259.db2.gz ZOCBBHHFTWMZBT-UXANRKEVSA-N 2 0 316.489 3.650 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000671297545 1016881139 /nfs/dbraw/zinc/88/11/39/1016881139.db2.gz ZOCBBHHFTWMZBT-DCFGKBGTSA-N 2 0 316.489 3.650 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CS1 ZINC000655703192 1016901068 /nfs/dbraw/zinc/90/10/68/1016901068.db2.gz NFYSLURWHADYTA-NZSAHSFTSA-N 2 0 318.530 3.772 20 0 DHADRP c1cc(C[NH2+]C[C@H](c2ccccc2)C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657472994 1016953522 /nfs/dbraw/zinc/95/35/22/1016953522.db2.gz DEZNYPQVTPRTJU-HXUWFJFHSA-N 2 0 318.424 3.551 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2c(C)cccc2C)C[C@H]1C ZINC001167589891 1017040460 /nfs/dbraw/zinc/04/04/60/1017040460.db2.gz JPOZMWFXNWHTRT-RTBURBONSA-N 2 0 318.505 3.877 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623437798 1017055720 /nfs/dbraw/zinc/05/57/20/1017055720.db2.gz ZQVGNHMXGKUIMJ-FHWLQOOXSA-N 2 0 316.489 3.678 20 0 DHADRP CC(C)[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000475191477 1017051386 /nfs/dbraw/zinc/05/13/86/1017051386.db2.gz JQXLQXWFWYBRTH-QUCCMNQESA-N 2 0 318.505 3.517 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC1(C)C ZINC000623469829 1017061759 /nfs/dbraw/zinc/06/17/59/1017061759.db2.gz SOGSHAGBQXKTHY-SFHVURJKSA-N 2 0 309.457 3.711 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000361927277 1032157236 /nfs/dbraw/zinc/15/72/36/1032157236.db2.gz SLTRFNBYHSIVBF-FUHWJXTLSA-N 2 0 314.473 3.847 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000361972742 1032178132 /nfs/dbraw/zinc/17/81/32/1032178132.db2.gz TZZWGKZZVLBWOF-AOIWGVFYSA-N 2 0 304.478 3.999 20 0 DHADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657538011 1017231340 /nfs/dbraw/zinc/23/13/40/1017231340.db2.gz WCXLJBQRROJRPA-RBUKOAKNSA-N 2 0 322.537 3.682 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1(C)C ZINC000623511917 1017078117 /nfs/dbraw/zinc/07/81/17/1017078117.db2.gz LWLHRJDTLFSMRT-NXHRZFHOSA-N 2 0 304.453 3.924 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000115628622 1017079428 /nfs/dbraw/zinc/07/94/28/1017079428.db2.gz FOKFYGNBMMNLEH-CRAIPNDOSA-N 2 0 324.896 3.567 20 0 DHADRP Cc1ccc2c(c1)c1c(n2C2CCC([NH+](C)C)CC2)CC[NH2+]C1 ZINC001168324664 1032271507 /nfs/dbraw/zinc/27/15/07/1032271507.db2.gz UAUWXBSAHJNTGS-UHFFFAOYSA-N 2 0 311.473 3.641 20 0 DHADRP C[NH+](C)C1CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001168323825 1032275513 /nfs/dbraw/zinc/27/55/13/1032275513.db2.gz DCVNBSJBFZKRKG-UHFFFAOYSA-N 2 0 316.489 3.540 20 0 DHADRP COc1ccc(Cl)c2c1C[C@H]([NH2+]CCCCCCC[NH3+])CC2 ZINC001171298693 1032285545 /nfs/dbraw/zinc/28/55/45/1032285545.db2.gz MCWCSAGHWCNXMZ-CQSZACIVSA-N 2 0 324.896 3.705 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC001171309550 1032316423 /nfs/dbraw/zinc/31/64/23/1032316423.db2.gz YSMSRRZWEBCDSF-RBUKOAKNSA-N 2 0 304.453 3.707 20 0 DHADRP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000119778576 1032318396 /nfs/dbraw/zinc/31/83/96/1032318396.db2.gz BOXNDNMSRGUZOQ-IBGZPJMESA-N 2 0 318.505 3.503 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000089141192 1032327925 /nfs/dbraw/zinc/32/79/25/1032327925.db2.gz XGZLPZAYPDKVJA-LNSITVRQSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120845276 1032401467 /nfs/dbraw/zinc/40/14/67/1032401467.db2.gz OELJRDPOMQBLLG-FQEVSTJZSA-N 2 0 312.432 3.973 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)CC2 ZINC000120946902 1032405394 /nfs/dbraw/zinc/40/53/94/1032405394.db2.gz MGIGBYGKRGKDNR-HXUWFJFHSA-N 2 0 312.432 3.973 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)CC2 ZINC000120947027 1032405552 /nfs/dbraw/zinc/40/55/52/1032405552.db2.gz MGIGBYGKRGKDNR-FQEVSTJZSA-N 2 0 312.432 3.973 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)CCC2 ZINC000090585784 1032408344 /nfs/dbraw/zinc/40/83/44/1032408344.db2.gz OUSNCTIDXWCNIA-HOTGVXAUSA-N 2 0 321.534 3.787 20 0 DHADRP C[NH+]1CCC(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000121192617 1032425915 /nfs/dbraw/zinc/42/59/15/1032425915.db2.gz YGHQIPZGERGZKZ-UHFFFAOYSA-N 2 0 322.496 3.772 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CC3CC[NH+](C)CC3)ccc2c1 ZINC000121195109 1032427133 /nfs/dbraw/zinc/42/71/33/1032427133.db2.gz UTQLFKWEKMGESE-HNNXBMFYSA-N 2 0 312.457 3.841 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000121212523 1032428648 /nfs/dbraw/zinc/42/86/48/1032428648.db2.gz GTILOLXTCHHOQS-SJORKVTESA-N 2 0 304.478 3.714 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1CCC(F)(F)CC1 ZINC000475205960 1017081782 /nfs/dbraw/zinc/08/17/82/1017081782.db2.gz AXYBFACIYGOEDM-CQSZACIVSA-N 2 0 302.453 3.912 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348098255 1032461362 /nfs/dbraw/zinc/46/13/62/1032461362.db2.gz AEJLMHZSGOXFOC-GJZGRUSLSA-N 2 0 323.456 3.535 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)CC2 ZINC000122369075 1032534592 /nfs/dbraw/zinc/53/45/92/1032534592.db2.gz UABAMWGBDFJSTM-HXUWFJFHSA-N 2 0 324.468 3.713 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000122714038 1032568596 /nfs/dbraw/zinc/56/85/96/1032568596.db2.gz ZNBXRTJBQAXKOV-LBPRGKRZSA-N 2 0 314.395 3.877 20 0 DHADRP [NH3+]Cc1cc2cc(Cl)ccc2n1C1CC[NH+](CC2CC2)CC1 ZINC001168352807 1032582449 /nfs/dbraw/zinc/58/24/49/1032582449.db2.gz FJWMHHYBHJTGDU-UHFFFAOYSA-N 2 0 317.864 3.800 20 0 DHADRP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000424131219 1011922680 /nfs/dbraw/zinc/92/26/80/1011922680.db2.gz IOXWWRQTBGLGGU-UHFFFAOYSA-N 2 0 314.477 3.594 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000579711782 1011960286 /nfs/dbraw/zinc/96/02/86/1011960286.db2.gz HCURBVHKMQLRDY-AUUYWEPGSA-N 2 0 316.514 3.860 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000424277761 1011969090 /nfs/dbraw/zinc/96/90/90/1011969090.db2.gz AUSUIDCWWOFGKP-KGLIPLIRSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1CCOc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424283773 1011971991 /nfs/dbraw/zinc/97/19/91/1011971991.db2.gz CADMABGFGHBIOF-QGZVFWFLSA-N 2 0 324.468 3.683 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000579731820 1012000982 /nfs/dbraw/zinc/00/09/82/1012000982.db2.gz OMFYHWVHZGHKKX-MOPGFXCFSA-N 2 0 310.441 3.625 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000579731822 1012003284 /nfs/dbraw/zinc/00/32/84/1012003284.db2.gz OMFYHWVHZGHKKX-RBUKOAKNSA-N 2 0 310.441 3.625 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000424340255 1012004483 /nfs/dbraw/zinc/00/44/83/1012004483.db2.gz XQURRSKBYXSYML-IYXRBSQSSA-N 2 0 310.869 3.872 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414907633 1012022283 /nfs/dbraw/zinc/02/22/83/1012022283.db2.gz AUCRYIIHMNRLTF-QWHCGFSZSA-N 2 0 306.759 3.718 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1(C)C ZINC001171407479 1032600194 /nfs/dbraw/zinc/60/01/94/1032600194.db2.gz INCIYZOICMJZPC-OAHLLOKOSA-N 2 0 318.480 3.924 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548391 1012117360 /nfs/dbraw/zinc/11/73/60/1012117360.db2.gz OQTKCCYUTNRKIG-KDOFPFPSSA-N 2 0 314.473 3.682 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000122396646 1032603887 /nfs/dbraw/zinc/60/38/87/1032603887.db2.gz KZLLEKXYZGIVOK-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280126585 1012225625 /nfs/dbraw/zinc/22/56/25/1012225625.db2.gz CBAYTMIUNPYFSM-DDBAPUKQSA-N 2 0 304.865 3.802 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]C3CCC([NH+](C)C)CC3)oc21 ZINC000514082301 1012265271 /nfs/dbraw/zinc/26/52/71/1012265271.db2.gz GRVJLUBPTGMIFG-JEYLPNPQSA-N 2 0 316.445 3.965 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000123595565 1012363720 /nfs/dbraw/zinc/36/37/20/1012363720.db2.gz ICQGTZVEGVETHJ-UTKZUKDTSA-N 2 0 308.469 3.826 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648483926 1012413501 /nfs/dbraw/zinc/41/35/01/1012413501.db2.gz OTEROZMGMOMRLO-UHFFFAOYSA-N 2 0 321.852 3.691 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000425332378 1012461581 /nfs/dbraw/zinc/46/15/81/1012461581.db2.gz BGOMUFORMDUSAX-ZWKOTPCHSA-N 2 0 304.503 3.656 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cncc(F)c1 ZINC000123051650 1032633701 /nfs/dbraw/zinc/63/37/01/1032633701.db2.gz DFBBAZBMYOSDDM-HNNXBMFYSA-N 2 0 313.420 3.667 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C(C)(C)CC[NH+](C)C ZINC001172857220 1033425674 /nfs/dbraw/zinc/42/56/74/1033425674.db2.gz ROIFFLJAQXONNK-GFCCVEGCSA-N 2 0 300.849 3.730 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000579866055 1012762339 /nfs/dbraw/zinc/76/23/39/1012762339.db2.gz GGHXXHZMRWCZTJ-IKGGRYGDSA-N 2 0 308.416 3.761 20 0 DHADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(C)c1 ZINC001167961309 1012774243 /nfs/dbraw/zinc/77/42/43/1012774243.db2.gz HUGBSZZGLMTJRL-SEJPIABJSA-N 2 0 312.501 3.841 20 0 DHADRP CN(c1ccccc1C[N@H+](C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000179798218 1012848707 /nfs/dbraw/zinc/84/87/07/1012848707.db2.gz SWPVSGCFWTVUKR-UHFFFAOYSA-N 2 0 315.505 3.591 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000666962209 1032668894 /nfs/dbraw/zinc/66/88/94/1032668894.db2.gz LLZZBLOJONHTJA-RKDXNWHRSA-N 2 0 307.652 3.864 20 0 DHADRP Fc1ccccc1-c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000262151597 1017149110 /nfs/dbraw/zinc/14/91/10/1017149110.db2.gz ZXZWETOXFZZKPM-UHFFFAOYSA-N 2 0 314.404 3.661 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000178047562 1017152158 /nfs/dbraw/zinc/15/21/58/1017152158.db2.gz ZJXPMFONGCVSGN-CKEIUWERSA-N 2 0 302.487 3.762 20 0 DHADRP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccc12 ZINC000623656496 1017156093 /nfs/dbraw/zinc/15/60/93/1017156093.db2.gz VJTXZNMHGQYSBY-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)oc3ccccc32)C1 ZINC000180004844 1017344092 /nfs/dbraw/zinc/34/40/92/1017344092.db2.gz WUIOVBDADZRVSN-INIZCTEOSA-N 2 0 300.446 3.905 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000716329561 1032696069 /nfs/dbraw/zinc/69/60/69/1032696069.db2.gz RCZWZOHVTMHXSX-BFHYXJOUSA-N 2 0 313.272 3.514 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cccnc1 ZINC000716655073 1032698831 /nfs/dbraw/zinc/69/88/31/1032698831.db2.gz LVQUPMVZBGDRGD-GIUOSPMZSA-N 2 0 321.468 3.785 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000475555865 1017425947 /nfs/dbraw/zinc/42/59/47/1017425947.db2.gz ZEKAZLBDUZNWOA-WLWJZTKJSA-N 2 0 304.453 3.782 20 0 DHADRP C[C@H](CCc1ccccc1)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475559698 1017428701 /nfs/dbraw/zinc/42/87/01/1017428701.db2.gz FPCSYWUCJDXNSA-QHGAOEGBSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)CC[N@@H+]1C ZINC000180412315 1017441305 /nfs/dbraw/zinc/44/13/05/1017441305.db2.gz ULUXPIQXZLPVIH-PXNSSMCTSA-N 2 0 324.468 3.838 20 0 DHADRP Cc1ccc2sc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)nc2c1 ZINC000639757975 1017443335 /nfs/dbraw/zinc/44/33/35/1017443335.db2.gz QFRKYPANYUJGDM-UHFFFAOYSA-N 2 0 315.486 3.522 20 0 DHADRP CC(C)c1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000623891375 1017570697 /nfs/dbraw/zinc/57/06/97/1017570697.db2.gz KVTWGFPJDBRANU-PXNSSMCTSA-N 2 0 318.505 3.698 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C(C)C)c1 ZINC000623891045 1017572415 /nfs/dbraw/zinc/57/24/15/1017572415.db2.gz BRKIKWWETNWHOG-PMACEKPBSA-N 2 0 318.505 3.519 20 0 DHADRP CC1(C)CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613731 1017584016 /nfs/dbraw/zinc/58/40/16/1017584016.db2.gz PYXGUUPXUXCHSC-LJQANCHMSA-N 2 0 315.505 3.852 20 0 DHADRP CC[NH+](CC)Cc1ccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623968032 1017611319 /nfs/dbraw/zinc/61/13/19/1017611319.db2.gz QLTSLLWPULAVTK-SFHVURJKSA-N 2 0 303.494 3.813 20 0 DHADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCc1ccnc(N)c1 ZINC001167619302 1017635124 /nfs/dbraw/zinc/63/51/24/1017635124.db2.gz XYRFWPFWYHZCFS-UHFFFAOYSA-N 2 0 310.445 3.570 20 0 DHADRP CC(C)COc1ccccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000130836689 1017636374 /nfs/dbraw/zinc/63/63/74/1017636374.db2.gz MBNAQIIHIUDKNM-MRXNPFEDSA-N 2 0 304.478 3.541 20 0 DHADRP C[N@H+](CCc1cccc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000628163898 1017659433 /nfs/dbraw/zinc/65/94/33/1017659433.db2.gz WOSOHLKMONDCCN-UHFFFAOYSA-N 2 0 314.395 3.522 20 0 DHADRP C[C@@H](C1CC[NH+](C)CC1)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000624072063 1017667447 /nfs/dbraw/zinc/66/74/47/1017667447.db2.gz SUUFTKDBNUFDKM-KBXCAEBGSA-N 2 0 322.880 3.523 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120731 1017692444 /nfs/dbraw/zinc/69/24/44/1017692444.db2.gz FTQJGLOAAIROID-DZGCQCFKSA-N 2 0 309.523 3.957 20 0 DHADRP COCCC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000624123590 1017695581 /nfs/dbraw/zinc/69/55/81/1017695581.db2.gz ORXJYKVEHDSGFQ-APWZRJJASA-N 2 0 322.468 3.615 20 0 DHADRP Cc1[nH+]c2ccccc2c(NCC2CC[NH+](C3CC3)CC2)c1C ZINC000444877765 1017709557 /nfs/dbraw/zinc/70/95/57/1017709557.db2.gz PCZUGMNXSITQJQ-UHFFFAOYSA-N 2 0 309.457 3.560 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1cc[nH+]cc1C(F)(F)F ZINC001167625484 1017714922 /nfs/dbraw/zinc/71/49/22/1017714922.db2.gz USKNUVPQHCRPFT-UHFFFAOYSA-N 2 0 301.356 3.585 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1 ZINC000666977320 1032720956 /nfs/dbraw/zinc/72/09/56/1032720956.db2.gz NEBFOXFWVRDPGA-OAHLLOKOSA-N 2 0 315.486 3.592 20 0 DHADRP Fc1cc2c(cc1F)C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001171463401 1032722451 /nfs/dbraw/zinc/72/24/51/1032722451.db2.gz RUJHAWIWKARDPC-KRWDZBQOSA-N 2 0 322.443 3.678 20 0 DHADRP CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090778529 1017817792 /nfs/dbraw/zinc/81/77/92/1017817792.db2.gz XDPRVPUMGOGMBX-DOTOQJQBSA-N 2 0 306.519 3.877 20 0 DHADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)cc2c1OCC2 ZINC000897339826 1017851696 /nfs/dbraw/zinc/85/16/96/1017851696.db2.gz OQXCMJYSBUCYHK-GVZPALNKSA-N 2 0 320.864 3.551 20 0 DHADRP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC001204599207 1017911564 /nfs/dbraw/zinc/91/15/64/1017911564.db2.gz UCBQSKDXPIEJOW-STQMWFEESA-N 2 0 307.507 3.681 20 0 DHADRP COc1cccc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000079413288 1018001247 /nfs/dbraw/zinc/00/12/47/1018001247.db2.gz WRFQRJXQLRMYQV-MRXNPFEDSA-N 2 0 304.478 3.808 20 0 DHADRP COc1ccc(Cl)cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000841029855 1018010848 /nfs/dbraw/zinc/01/08/48/1018010848.db2.gz SVVIJEIXABAQGC-GFCCVEGCSA-N 2 0 304.821 3.658 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1)CC(C)(C)CC[NH3+] ZINC001171467652 1032740611 /nfs/dbraw/zinc/74/06/11/1032740611.db2.gz ZNOCFXCYONLJIC-BBRMVZONSA-N 2 0 324.459 3.813 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658093272 1018068222 /nfs/dbraw/zinc/06/82/22/1018068222.db2.gz UEMUIEADAOWOMN-HLLBOEOZSA-N 2 0 304.478 3.650 20 0 DHADRP CCOc1ccccc1CNCCC[N@H+](C)C1CCCCC1 ZINC000315086194 1032744561 /nfs/dbraw/zinc/74/45/61/1032744561.db2.gz LDZSJKRRITVYSH-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171473449 1032745133 /nfs/dbraw/zinc/74/51/33/1032745133.db2.gz UGHIKAJEQGUJPY-ULQDDVLXSA-N 2 0 322.443 3.802 20 0 DHADRP CSCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780878489 1018155218 /nfs/dbraw/zinc/15/52/18/1018155218.db2.gz LOYLQEOOGGOQID-XYJFISCASA-N 2 0 306.519 3.628 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000278126161 1018172869 /nfs/dbraw/zinc/17/28/69/1018172869.db2.gz UDMYBWYZPVEDBC-CYBMUJFWSA-N 2 0 324.415 3.813 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCC(F)CC1 ZINC000657743315 1018204009 /nfs/dbraw/zinc/20/40/09/1018204009.db2.gz HKJWOKHXBCYJAE-FAEJEUNOSA-N 2 0 322.468 3.633 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380910048 1018209664 /nfs/dbraw/zinc/20/96/64/1018209664.db2.gz KQSWAXHSGLRTTI-GOSISDBHSA-N 2 0 312.432 3.746 20 0 DHADRP COc1ccc([C@@H](NC[C@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000194989228 1018218990 /nfs/dbraw/zinc/21/89/90/1018218990.db2.gz RFNNGCVSCOUBTD-UTKZUKDTSA-N 2 0 324.468 3.716 20 0 DHADRP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)C(C)(C)C ZINC000154963911 1018227025 /nfs/dbraw/zinc/22/70/25/1018227025.db2.gz GJPFLSKXYBAYFV-PBHICJAKSA-N 2 0 301.434 3.584 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261825078 1018231573 /nfs/dbraw/zinc/23/15/73/1018231573.db2.gz WYWBGDBXGGBXHI-VAMGGRTRSA-N 2 0 316.489 3.624 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2ccoc2)CC1 ZINC000658197224 1018252415 /nfs/dbraw/zinc/25/24/15/1018252415.db2.gz GOAMRKSHHKJSNW-KRWDZBQOSA-N 2 0 312.457 3.507 20 0 DHADRP FC(F)(F)Sc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000841078189 1018281743 /nfs/dbraw/zinc/28/17/43/1018281743.db2.gz FVJPWJDORCINSE-CYBMUJFWSA-N 2 0 316.392 3.530 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC[C@@H](C)O3)CC2)C1 ZINC000658221917 1018295826 /nfs/dbraw/zinc/29/58/26/1018295826.db2.gz VFYNQJBNEAQIFP-ZAWLATJESA-N 2 0 308.510 3.577 20 0 DHADRP c1cn2c(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000427849669 1018338640 /nfs/dbraw/zinc/33/86/40/1018338640.db2.gz FZCOKDLBDIMYOM-UXHICEINSA-N 2 0 323.484 3.979 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000764763820 1018368081 /nfs/dbraw/zinc/36/80/81/1018368081.db2.gz SNPPRIMTQVELJO-MRXNPFEDSA-N 2 0 320.546 3.945 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cccc(OCC[NH+](C)C)c1 ZINC000764773730 1018373805 /nfs/dbraw/zinc/37/38/05/1018373805.db2.gz IXOLBVVABRDYCH-JKSUJKDBSA-N 2 0 316.445 3.502 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CC1(C)C ZINC000785478645 1018478161 /nfs/dbraw/zinc/47/81/61/1018478161.db2.gz XWSBJOZILBGVRS-HNAYVOBHSA-N 2 0 315.505 3.746 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000566555703 1018484308 /nfs/dbraw/zinc/48/43/08/1018484308.db2.gz RKTBUULBJAQKOY-HNNXBMFYSA-N 2 0 301.478 3.813 20 0 DHADRP COc1ccc([C@H](CC(C)C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000647295560 1018504196 /nfs/dbraw/zinc/50/41/96/1018504196.db2.gz OGSAVANXBNRKKL-IBGZPJMESA-N 2 0 302.462 3.634 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004784 1018509425 /nfs/dbraw/zinc/50/94/25/1018509425.db2.gz FMTCNXXYSBDCHY-LXTVHRRPSA-N 2 0 317.502 3.895 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000262331249 1018512192 /nfs/dbraw/zinc/51/21/92/1018512192.db2.gz SLUFFYKVIMAXCG-GUDVDZBRSA-N 2 0 300.490 3.865 20 0 DHADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708126 1018524175 /nfs/dbraw/zinc/52/41/75/1018524175.db2.gz UCRRHPONNCAGFC-MDNKFWRPSA-N 2 0 322.537 3.811 20 0 DHADRP C[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)[C@H]1CC[NH3+] ZINC000650710884 1018530463 /nfs/dbraw/zinc/53/04/63/1018530463.db2.gz BTLCAXKAYXLMIE-ZBFHGGJFSA-N 2 0 315.486 3.759 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@H]1CC[NH3+] ZINC000650710922 1018530602 /nfs/dbraw/zinc/53/06/02/1018530602.db2.gz DALYQCHZIGRZDE-JXFKEZNVSA-N 2 0 309.457 3.698 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+]CCC3(C[NH3+])CC3)s2)cc1 ZINC000650712576 1018544640 /nfs/dbraw/zinc/54/46/40/1018544640.db2.gz KYOGSFIFNFAFQD-UHFFFAOYSA-N 2 0 300.471 3.942 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1ccccc1SC ZINC000650719144 1018565396 /nfs/dbraw/zinc/56/53/96/1018565396.db2.gz FSGUQXAIVQCPHY-OAHLLOKOSA-N 2 0 314.498 3.849 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752549 1018572711 /nfs/dbraw/zinc/57/27/11/1018572711.db2.gz ZFELQRUVXSKXQX-FHWLQOOXSA-N 2 0 304.453 3.609 20 0 DHADRP COc1ccc2ccccc2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261846208 1018585167 /nfs/dbraw/zinc/58/51/67/1018585167.db2.gz ZEDGKZFVGSZIBG-SJPCQFCGSA-N 2 0 310.441 3.563 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000675786963 1018592328 /nfs/dbraw/zinc/59/23/28/1018592328.db2.gz NOKFTCPIKCCPND-QUCCMNQESA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000278361108 1018611495 /nfs/dbraw/zinc/61/14/95/1018611495.db2.gz CXGWFPOEKUJDKS-LLVKDONJSA-N 2 0 312.379 3.629 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccncc1 ZINC000675927522 1018628439 /nfs/dbraw/zinc/62/84/39/1018628439.db2.gz HOJTWMULWZBJHL-QKLQHJQFSA-N 2 0 315.505 3.818 20 0 DHADRP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675933877 1018631292 /nfs/dbraw/zinc/63/12/92/1018631292.db2.gz UNXMBAHLIXEQOV-SJORKVTESA-N 2 0 318.505 3.992 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)C1 ZINC000151103373 1018635322 /nfs/dbraw/zinc/63/53/22/1018635322.db2.gz NSJUERSNGLDFBU-DZGCQCFKSA-N 2 0 309.523 3.957 20 0 DHADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000650743051 1018638489 /nfs/dbraw/zinc/63/84/89/1018638489.db2.gz LCGMFHARPJCFEW-AWEZNQCLSA-N 2 0 311.267 3.619 20 0 DHADRP Cc1cccnc1CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926522412 1018643115 /nfs/dbraw/zinc/64/31/15/1018643115.db2.gz RUIICTHXRKIMDQ-QGZVFWFLSA-N 2 0 311.473 3.735 20 0 DHADRP C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccnc(F)c2)CC1 ZINC000858139539 1032777454 /nfs/dbraw/zinc/77/74/54/1032777454.db2.gz VDYPFMZMXNYUEW-OAHLLOKOSA-N 2 0 313.420 3.536 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCSc3ccccc32)c(F)c1 ZINC000650752006 1018664453 /nfs/dbraw/zinc/66/44/53/1018664453.db2.gz HDQMQCAXNFCYGI-INIZCTEOSA-N 2 0 302.418 3.611 20 0 DHADRP COc1ccc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000261653142 1018745951 /nfs/dbraw/zinc/74/59/51/1018745951.db2.gz FMVSCBGGXGWWCU-DFNIBXOVSA-N 2 0 310.441 3.563 20 0 DHADRP CSc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812540 1018793515 /nfs/dbraw/zinc/79/35/15/1018793515.db2.gz SBROBDRQWNGVJC-UHFFFAOYSA-N 2 0 304.503 3.620 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000765453106 1018796269 /nfs/dbraw/zinc/79/62/69/1018796269.db2.gz KZVRNTTWKPGMBZ-FQEVSTJZSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000657812811 1018808593 /nfs/dbraw/zinc/80/85/93/1018808593.db2.gz FQYAPHAMLMJCTO-LJQANCHMSA-N 2 0 300.490 3.892 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)CCO1 ZINC000315348782 1018837825 /nfs/dbraw/zinc/83/78/25/1018837825.db2.gz GVSQCHQWKUNHOC-RTBURBONSA-N 2 0 304.478 3.576 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000132795467 1018843194 /nfs/dbraw/zinc/84/31/94/1018843194.db2.gz WOAVHIZULMGZPI-XLIONFOSSA-N 2 0 316.489 3.537 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC000158574310 1018852014 /nfs/dbraw/zinc/85/20/14/1018852014.db2.gz KKBRRFFBBRLAJZ-JYJNAYRXSA-N 2 0 318.509 3.502 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000158598017 1018863163 /nfs/dbraw/zinc/86/31/63/1018863163.db2.gz UBYVSBPDCODMKI-KURKYZTESA-N 2 0 320.525 3.873 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCCc3cnccc32)CC1(C)C ZINC001171630483 1032794650 /nfs/dbraw/zinc/79/46/50/1032794650.db2.gz OVWHVWFIDPEJAC-QGZVFWFLSA-N 2 0 301.478 3.700 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000656199102 1018945739 /nfs/dbraw/zinc/94/57/39/1018945739.db2.gz MGBKXTSVCQNQMB-DTZQCDIJSA-N 2 0 323.278 3.555 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000921536401 1018951330 /nfs/dbraw/zinc/95/13/30/1018951330.db2.gz PSDXPZICSVVRCJ-CQSZACIVSA-N 2 0 309.885 3.645 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(C(F)F)nc1 ZINC000657828895 1018967917 /nfs/dbraw/zinc/96/79/17/1018967917.db2.gz VYEWEWQORGVAEI-CYBMUJFWSA-N 2 0 319.399 3.932 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)cc1 ZINC001168685569 1018976163 /nfs/dbraw/zinc/97/61/63/1018976163.db2.gz QYASKAWKZBNESJ-QGZVFWFLSA-N 2 0 314.860 3.659 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)cc1 ZINC001168685567 1018976662 /nfs/dbraw/zinc/97/66/62/1018976662.db2.gz QYASKAWKZBNESJ-KRWDZBQOSA-N 2 0 314.860 3.659 20 0 DHADRP CCC1CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000386832945 1019024702 /nfs/dbraw/zinc/02/47/02/1019024702.db2.gz UPFANNOARBDOPO-UHFFFAOYSA-N 2 0 301.478 3.856 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171622120 1032803400 /nfs/dbraw/zinc/80/34/00/1032803400.db2.gz UHHWDNBIUXPVBB-MRXNPFEDSA-N 3 0 311.558 3.738 20 0 DHADRP CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000387107274 1019047104 /nfs/dbraw/zinc/04/71/04/1019047104.db2.gz YGOQLRNKFMMFRD-QGZVFWFLSA-N 2 0 304.478 3.830 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)CC3 ZINC000666995442 1032807140 /nfs/dbraw/zinc/80/71/40/1032807140.db2.gz NYHZRQSSAKQFGV-CVEARBPZSA-N 2 0 323.484 3.598 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000387286163 1019071062 /nfs/dbraw/zinc/07/10/62/1019071062.db2.gz HDZMCCRYWDAVBS-UHFFFAOYSA-N 2 0 302.384 3.915 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000387292185 1019072610 /nfs/dbraw/zinc/07/26/10/1019072610.db2.gz ONOOWLJSKGMFKE-ROUUACIJSA-N 2 0 308.510 3.578 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000387292184 1019074197 /nfs/dbraw/zinc/07/41/97/1019074197.db2.gz ONOOWLJSKGMFKE-QZTJIDSGSA-N 2 0 308.510 3.578 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623216 1032807524 /nfs/dbraw/zinc/80/75/24/1032807524.db2.gz OXYDEUOEJQGBGS-QGZVFWFLSA-N 2 0 316.489 3.924 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171626047 1032807759 /nfs/dbraw/zinc/80/77/59/1032807759.db2.gz UKZJMERJQSJAMV-UHFFFAOYSA-N 3 0 323.569 3.740 20 0 DHADRP C[NH+]1C(C)(C)CC(N2CC[C@H]([NH3+])c3ccccc32)CC1(C)C ZINC001171623139 1032807957 /nfs/dbraw/zinc/80/79/57/1032807957.db2.gz LSFUGHMAFSIHQW-INIZCTEOSA-N 2 0 301.478 3.548 20 0 DHADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nc2ccccc2s1 ZINC000923318372 1019125538 /nfs/dbraw/zinc/12/55/38/1019125538.db2.gz IRCHGRSBZIWWKR-GOOCMWNKSA-N 2 0 315.486 3.649 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3ccc(F)cc3C2)CC1(C)C ZINC001171626801 1032809152 /nfs/dbraw/zinc/80/91/52/1032809152.db2.gz BPADFLZDUVOQSL-KRWDZBQOSA-N 2 0 318.480 3.924 20 0 DHADRP Cc1nc2c(s1)[C@@H]([N@H+](C)CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000923325170 1019130815 /nfs/dbraw/zinc/13/08/15/1019130815.db2.gz RRPRQTYZVVZCDD-BTFYYFJDSA-N 2 0 319.518 3.681 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC2(CC3CC3)CCOCC2)CC1(C)C ZINC001171627101 1032810056 /nfs/dbraw/zinc/81/00/56/1032810056.db2.gz JWSHKIUKABGJHS-UHFFFAOYSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)sc1C(C)(C)C ZINC000923365360 1019151660 /nfs/dbraw/zinc/15/16/60/1019151660.db2.gz SIKLJDWIXCDPHE-HNNXBMFYSA-N 2 0 321.534 3.713 20 0 DHADRP Cc1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)sc1C(C)(C)C ZINC000923383771 1019159149 /nfs/dbraw/zinc/15/91/49/1019159149.db2.gz MRSPHECEHPBTNM-CYBMUJFWSA-N 2 0 321.534 3.713 20 0 DHADRP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923497348 1019243281 /nfs/dbraw/zinc/24/32/81/1019243281.db2.gz LEBVPUUGTGEYPM-GDBMZVCRSA-N 2 0 315.486 3.535 20 0 DHADRP C[C@H]1C[N@H+](Cc2csc(C3CCCCC3)n2)CC[C@H]1C[NH3+] ZINC000923501643 1019246114 /nfs/dbraw/zinc/24/61/14/1019246114.db2.gz RRBLTSYBDGSCIS-ZFWWWQNUSA-N 2 0 307.507 3.608 20 0 DHADRP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC[NH2+]CC1 ZINC000923525282 1019263613 /nfs/dbraw/zinc/26/36/13/1019263613.db2.gz DSRFBAAETDQNEY-GOOCMWNKSA-N 2 0 304.400 3.572 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000624307950 1019286668 /nfs/dbraw/zinc/28/66/68/1019286668.db2.gz YSIMVCRMJGGPKQ-UHFFFAOYSA-N 2 0 314.395 3.754 20 0 DHADRP CCOC1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000657857044 1019305549 /nfs/dbraw/zinc/30/55/49/1019305549.db2.gz QMGDGOSSESAOSX-UHFFFAOYSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccnc1 ZINC000091286489 1019456173 /nfs/dbraw/zinc/45/61/73/1019456173.db2.gz DTCOIZPRASQXSZ-IEBWSBKVSA-N 2 0 303.494 3.880 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccnc1 ZINC000091367587 1019461551 /nfs/dbraw/zinc/46/15/51/1019461551.db2.gz ZWRSIYSLKZJGGS-LJQANCHMSA-N 2 0 301.478 3.775 20 0 DHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171682443 1032836172 /nfs/dbraw/zinc/83/61/72/1032836172.db2.gz VPTCSQYTOCWIAX-RLLQIKCJSA-N 2 0 300.490 3.590 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cn2)c1 ZINC000092739792 1019533893 /nfs/dbraw/zinc/53/38/93/1019533893.db2.gz GTRCEAHVMMKVDE-HNNXBMFYSA-N 2 0 315.436 3.913 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000092739413 1019535713 /nfs/dbraw/zinc/53/57/13/1019535713.db2.gz AFXZIBXLQHJUKX-XHSDSOJGSA-N 2 0 307.457 3.629 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)oc1C ZINC000282175051 1019546012 /nfs/dbraw/zinc/54/60/12/1019546012.db2.gz MLMRJJVPFAXXFK-OAHLLOKOSA-N 2 0 316.445 3.688 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2c[nH]c3c2cccc3Cl)CC1 ZINC000624331860 1019619238 /nfs/dbraw/zinc/61/92/38/1019619238.db2.gz LKRNGBRCJQMOBN-UHFFFAOYSA-N 2 0 319.880 3.828 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)[C@H](C)C1 ZINC000624331438 1019628270 /nfs/dbraw/zinc/62/82/70/1019628270.db2.gz AAOYEFOWOABYKP-DYVFJYSZSA-N 2 0 319.880 3.684 20 0 DHADRP c1ccc(SC2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166560643 1019647943 /nfs/dbraw/zinc/64/79/43/1019647943.db2.gz RVDDNQVUVXLEKJ-JKSUJKDBSA-N 2 0 302.487 3.528 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657869914 1019652648 /nfs/dbraw/zinc/65/26/48/1019652648.db2.gz BZBQBGOVRCDRBU-ZDUSSCGKSA-N 2 0 303.475 3.679 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1ccc2cnccc2c1)Cc1ccccc1 ZINC000302058288 1019727172 /nfs/dbraw/zinc/72/71/72/1019727172.db2.gz FGQWTJKCMPMGMB-UHFFFAOYSA-N 2 0 319.452 3.847 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C(C)(C)C(F)F ZINC000657884190 1019745889 /nfs/dbraw/zinc/74/58/89/1019745889.db2.gz MNXUCVPWZWVADM-NSHDSACASA-N 2 0 302.384 3.657 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000166031753 1019769550 /nfs/dbraw/zinc/76/95/50/1019769550.db2.gz IKBKNQQZXNBBFG-ZHALLVOQSA-N 2 0 302.462 3.609 20 0 DHADRP COc1ccc([C@@H](C)CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000166135855 1019774512 /nfs/dbraw/zinc/77/45/12/1019774512.db2.gz TWWISPRRGCSDIQ-JKSUJKDBSA-N 2 0 304.478 3.509 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657412978 1019776124 /nfs/dbraw/zinc/77/61/24/1019776124.db2.gz FLHSBPHKZMQZCL-OAHLLOKOSA-N 2 0 317.502 3.754 20 0 DHADRP CCC(CC)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000532104656 1019785806 /nfs/dbraw/zinc/78/58/06/1019785806.db2.gz PJNVOSKNROGWEP-UHFFFAOYSA-N 2 0 317.521 3.743 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166199659 1019789725 /nfs/dbraw/zinc/78/97/25/1019789725.db2.gz YMYQQJFEKCIXBR-RTBURBONSA-N 2 0 316.489 3.624 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685421362 1019807102 /nfs/dbraw/zinc/80/71/02/1019807102.db2.gz VPQAZQPPUMLNGZ-ZIAGYGMSSA-N 2 0 314.395 3.740 20 0 DHADRP Cc1occc1C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902358258 1019828898 /nfs/dbraw/zinc/82/88/98/1019828898.db2.gz CEJWWLZWVNFXEO-QGZVFWFLSA-N 2 0 308.372 3.826 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)CCN1Cc1ccccc1 ZINC000657901229 1019895207 /nfs/dbraw/zinc/89/52/07/1019895207.db2.gz PNRWOPDYURMQSH-WBVHZDCISA-N 2 0 322.443 3.717 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cccc(C[NH+](C)C)c1 ZINC000926602112 1019938526 /nfs/dbraw/zinc/93/85/26/1019938526.db2.gz RWZIFDCBROGIMI-MAUKXSAKSA-N 2 0 318.530 3.932 20 0 DHADRP C[NH+]1CCC2(CCN(Cc3cc(F)c(Cl)cc3F)C2)CC1 ZINC001140702324 1019966627 /nfs/dbraw/zinc/96/66/27/1019966627.db2.gz MHXUIJMQBDREJV-UHFFFAOYSA-N 2 0 314.807 3.536 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000643508308 1032871566 /nfs/dbraw/zinc/87/15/66/1032871566.db2.gz HKMJWEILMQLMFB-UONOGXRCSA-N 2 0 305.491 3.766 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166459059 1020088755 /nfs/dbraw/zinc/08/87/55/1020088755.db2.gz VJGHHGSVCZMNLO-QZTJIDSGSA-N 2 0 318.892 3.978 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000658034512 1020105826 /nfs/dbraw/zinc/10/58/26/1020105826.db2.gz GYNYSOSIQRBICL-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000922502528 1020105736 /nfs/dbraw/zinc/10/57/36/1020105736.db2.gz DJLIXVGDBQIRGH-UHFFFAOYSA-N 2 0 321.896 3.809 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000658034511 1020106055 /nfs/dbraw/zinc/10/60/55/1020106055.db2.gz GYNYSOSIQRBICL-UONOGXRCSA-N 2 0 303.475 3.679 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000922505080 1020107402 /nfs/dbraw/zinc/10/74/02/1020107402.db2.gz QEUZDWCQJJRUBU-UHFFFAOYSA-N 2 0 322.880 3.932 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000922506000 1020107830 /nfs/dbraw/zinc/10/78/30/1020107830.db2.gz WPDNFZPDSHTACW-ZPTVKNSZSA-N 2 0 320.521 3.578 20 0 DHADRP COc1ccccc1C[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000158648721 1020113760 /nfs/dbraw/zinc/11/37/60/1020113760.db2.gz GZVFKNSXNNPJLJ-APWZRJJASA-N 2 0 318.505 3.582 20 0 DHADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000658077434 1020122607 /nfs/dbraw/zinc/12/26/07/1020122607.db2.gz QBSXRPGYXRBIIM-KRWDZBQOSA-N 2 0 306.469 3.999 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658069070 1020129162 /nfs/dbraw/zinc/12/91/62/1020129162.db2.gz LAJZFNCSESQXPM-KRWDZBQOSA-N 2 0 316.489 3.537 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)C[NH+]1CCCC1 ZINC000731677458 1020137524 /nfs/dbraw/zinc/13/75/24/1020137524.db2.gz RBDGCSUKVZJCEV-INIZCTEOSA-N 2 0 316.489 3.612 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658095282 1020140791 /nfs/dbraw/zinc/14/07/91/1020140791.db2.gz FZPMAYGGNDFRMM-IWKCEXAMSA-N 2 0 316.489 3.650 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000765786037 1020195631 /nfs/dbraw/zinc/19/56/31/1020195631.db2.gz ZEPFNEFGRNBYMK-MJGOQNOKSA-N 2 0 318.505 3.726 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000658167899 1020199439 /nfs/dbraw/zinc/19/94/39/1020199439.db2.gz QWXUZQOCLCRILE-MRXNPFEDSA-N 2 0 313.445 3.546 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000658166386 1020200297 /nfs/dbraw/zinc/20/02/97/1020200297.db2.gz UTLHDZCTDKEERW-HXUWFJFHSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000658223995 1020229958 /nfs/dbraw/zinc/22/99/58/1020229958.db2.gz QWEARVDCVJVUMW-QAPCUYQASA-N 2 0 322.443 3.717 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H](C)O3)CC2)C1 ZINC000658221911 1020230546 /nfs/dbraw/zinc/23/05/46/1020230546.db2.gz VFYNQJBNEAQIFP-FPAYPSAMSA-N 2 0 308.510 3.577 20 0 DHADRP C1C[C@H]([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C3CCCCC3)C2)CO1 ZINC000658227901 1020234921 /nfs/dbraw/zinc/23/49/21/1020234921.db2.gz DJSRGLLNCIEIGE-QGZVKYPTSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000658217998 1020245274 /nfs/dbraw/zinc/24/52/74/1020245274.db2.gz IGNRXUGCFYGQKC-VNQPRFMTSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658217681 1020247114 /nfs/dbraw/zinc/24/71/14/1020247114.db2.gz HIUMXUKFZYZPGW-USXIJHARSA-N 2 0 308.416 3.532 20 0 DHADRP COc1cccc(C)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922844375 1020301594 /nfs/dbraw/zinc/30/15/94/1020301594.db2.gz CXARLGQQZNXAEI-UHFFFAOYSA-N 2 0 302.462 3.500 20 0 DHADRP C[C@H]1Cc2cc(C[NH2+]C3CCC(C)([NH+]4CCC4)CC3)ccc2O1 ZINC000922846579 1020305418 /nfs/dbraw/zinc/30/54/18/1020305418.db2.gz NMUDZCUMMPJCGD-IJNIYJAUSA-N 2 0 314.473 3.507 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC000922846689 1020305620 /nfs/dbraw/zinc/30/56/20/1020305620.db2.gz FWBVVQJAVPBYDL-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccncc1Cl ZINC000658353885 1020320303 /nfs/dbraw/zinc/32/03/03/1020320303.db2.gz SWPFSTFAHBAJKS-ZDUSSCGKSA-N 2 0 307.869 3.508 20 0 DHADRP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)s1 ZINC000658357611 1020323209 /nfs/dbraw/zinc/32/32/09/1020323209.db2.gz URPHHIVTSSJJSI-LBPRGKRZSA-N 2 0 307.507 3.533 20 0 DHADRP CSC1(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000347776736 1020376049 /nfs/dbraw/zinc/37/60/49/1020376049.db2.gz IJJYFPOOCRWMMO-SJLPKXTDSA-N 2 0 318.530 3.867 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccccc1OCc1ccccc1 ZINC000390772176 1020395647 /nfs/dbraw/zinc/39/56/47/1020395647.db2.gz KGPDTCXXXGYVCW-LPHOPBHVSA-N 2 0 310.441 3.577 20 0 DHADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(C[NH3+])CC1 ZINC001205026478 1020431945 /nfs/dbraw/zinc/43/19/45/1020431945.db2.gz PYMRWBPLHDIXHT-MRXNPFEDSA-N 2 0 302.506 3.833 20 0 DHADRP COc1cc(Cl)c(C[NH2+]CCCCCC[NH3+])cc1Cl ZINC000843126199 1020439391 /nfs/dbraw/zinc/43/93/91/1020439391.db2.gz CLZRVSBWSWQZNO-UHFFFAOYSA-N 2 0 305.249 3.611 20 0 DHADRP COC1CCN(C(C)(C)C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000350087177 1020498895 /nfs/dbraw/zinc/49/88/95/1020498895.db2.gz DPENPJBQYGZAKU-WBVHZDCISA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCCCC1 ZINC001171957755 1032922344 /nfs/dbraw/zinc/92/23/44/1032922344.db2.gz CHOHXKNUBQRVFJ-CQSZACIVSA-N 2 0 314.395 3.712 20 0 DHADRP CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000647498943 1020779117 /nfs/dbraw/zinc/77/91/17/1020779117.db2.gz UJYLDHWFDOSRDZ-SUMWQHHRSA-N 2 0 302.393 3.645 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000858506397 1032927639 /nfs/dbraw/zinc/92/76/39/1032927639.db2.gz AZKQSTZWCMEKGD-GTUJOBSOSA-N 2 0 308.510 3.575 20 0 DHADRP Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171964807 1032931693 /nfs/dbraw/zinc/93/16/93/1032931693.db2.gz HSYBBZQVMVMTIJ-FQEVSTJZSA-N 2 0 323.484 3.923 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000177836250 1020819743 /nfs/dbraw/zinc/81/97/43/1020819743.db2.gz YQLPVMOORBTBMS-IBGZPJMESA-N 2 0 316.489 3.783 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000414087071 1020869413 /nfs/dbraw/zinc/86/94/13/1020869413.db2.gz ZYFNWMZQUNMKEP-HNNXBMFYSA-N 2 0 302.462 3.671 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414109053 1020898566 /nfs/dbraw/zinc/89/85/66/1020898566.db2.gz GUHHEVFFDYSHFQ-AEFFLSMTSA-N 2 0 306.881 3.908 20 0 DHADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000716292008 1020902256 /nfs/dbraw/zinc/90/22/56/1020902256.db2.gz DLELSIXZKADRLX-CYBMUJFWSA-N 2 0 301.261 3.610 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414173934 1020961828 /nfs/dbraw/zinc/96/18/28/1020961828.db2.gz HAWOGNYSESTDPW-FUHWJXTLSA-N 2 0 302.462 3.530 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414174967 1020963367 /nfs/dbraw/zinc/96/33/67/1020963367.db2.gz HVIVREDZZGAHRY-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182392 1020968898 /nfs/dbraw/zinc/96/88/98/1020968898.db2.gz MYZKVJKCCJDRAS-QRUUQIEESA-N 2 0 310.844 3.653 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000414198071 1020989301 /nfs/dbraw/zinc/98/93/01/1020989301.db2.gz VZWFLTULUYCUBJ-DNVCBOLYSA-N 2 0 311.473 3.867 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000892584506 1021037487 /nfs/dbraw/zinc/03/74/87/1021037487.db2.gz LJNRCFBIQNUVJY-INIZCTEOSA-N 2 0 320.525 3.825 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000537952446 1032953032 /nfs/dbraw/zinc/95/30/32/1032953032.db2.gz FRFXHINPBOHHIO-LSDHHAIUSA-N 2 0 310.432 3.983 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423357782 1021187249 /nfs/dbraw/zinc/18/72/49/1021187249.db2.gz ASIPGOBSASEQDT-DOTOQJQBSA-N 2 0 309.542 3.525 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423403923 1021196491 /nfs/dbraw/zinc/19/64/91/1021196491.db2.gz XKMOWRDONBHFQI-SFGAXHGTSA-N 2 0 316.489 3.822 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000423405703 1021196536 /nfs/dbraw/zinc/19/65/36/1021196536.db2.gz YIPYQOBWHGSERI-DLOVCJGASA-N 2 0 318.795 3.862 20 0 DHADRP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC000302566881 1021260182 /nfs/dbraw/zinc/26/01/82/1021260182.db2.gz NOBIEWGGRDCEFC-IHWFROFDSA-N 2 0 307.441 3.998 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423486438 1021262239 /nfs/dbraw/zinc/26/22/39/1021262239.db2.gz SSXIVQBAKDVBLU-IUODEOHRSA-N 2 0 310.894 3.999 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000605593098 1021267874 /nfs/dbraw/zinc/26/78/74/1021267874.db2.gz YQCXSEJRKDDYIZ-MRXNPFEDSA-N 2 0 306.494 3.931 20 0 DHADRP COc1ccc(CC[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000128654891 1021308914 /nfs/dbraw/zinc/30/89/14/1021308914.db2.gz DBICTHQDONLDCL-MRXNPFEDSA-N 2 0 321.424 3.774 20 0 DHADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000780747346 1021338164 /nfs/dbraw/zinc/33/81/64/1021338164.db2.gz XIBSPNCNVPPCNI-SFHVURJKSA-N 2 0 316.489 3.784 20 0 DHADRP CSCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986991 1032971645 /nfs/dbraw/zinc/97/16/45/1032971645.db2.gz OGOJBKBLEACURF-QGZVFWFLSA-N 2 0 306.519 3.724 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125792600 1032973325 /nfs/dbraw/zinc/97/33/25/1032973325.db2.gz ZEPFNEFGRNBYMK-PKOBYXMFSA-N 2 0 318.505 3.726 20 0 DHADRP Cc1ccccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337409453 1032975075 /nfs/dbraw/zinc/97/50/75/1032975075.db2.gz WCUDECVIXRLSLI-GOSISDBHSA-N 2 0 309.457 3.907 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CCO2 ZINC000178255192 1021463450 /nfs/dbraw/zinc/46/34/50/1021463450.db2.gz UKEHSLRTHUCWRR-LJQANCHMSA-N 2 0 314.473 3.537 20 0 DHADRP COC1CCC(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000892698041 1021490202 /nfs/dbraw/zinc/49/02/02/1021490202.db2.gz XXMJBAREEDVEIX-UHFFFAOYSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCCO2 ZINC000850424297 1021525066 /nfs/dbraw/zinc/52/50/66/1021525066.db2.gz IEVNJZPJPDZTPJ-MRXNPFEDSA-N 2 0 324.468 3.924 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000850475350 1021556343 /nfs/dbraw/zinc/55/63/43/1021556343.db2.gz ZOXBRHWTPRKQNB-RWBZWWBESA-N 2 0 302.462 3.535 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129722839 1021561148 /nfs/dbraw/zinc/56/11/48/1021561148.db2.gz WXSHDXWVTKJVOM-LSDHHAIUSA-N 2 0 306.416 3.819 20 0 DHADRP CC[C@H](COC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067155 1032989124 /nfs/dbraw/zinc/98/91/24/1032989124.db2.gz OFOMAPXTYKOQQM-YSTOQKLRSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000181617828 1021574143 /nfs/dbraw/zinc/57/41/43/1021574143.db2.gz KXUXRCYOKIONHR-WFASDCNBSA-N 2 0 300.368 3.840 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000181617864 1021574807 /nfs/dbraw/zinc/57/48/07/1021574807.db2.gz KXUXRCYOKIONHR-SWLSCSKDSA-N 2 0 300.368 3.840 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000070171890 1021577717 /nfs/dbraw/zinc/57/77/17/1021577717.db2.gz VXTIZHDZRYJAHI-DGCLKSJQSA-N 2 0 318.408 3.858 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(C)ccc2OC)C1 ZINC000093400395 1021578589 /nfs/dbraw/zinc/57/85/89/1021578589.db2.gz NXXPHIGENSHQLQ-AEFFLSMTSA-N 2 0 304.478 3.776 20 0 DHADRP [NH3+]Cc1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172063742 1032990345 /nfs/dbraw/zinc/99/03/45/1032990345.db2.gz CZEFZROLYGYAIX-ACDBMABISA-N 2 0 309.457 3.705 20 0 DHADRP ClC1(Cl)C[C@H]1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686946 1021607170 /nfs/dbraw/zinc/60/71/70/1021607170.db2.gz ZAHVDWGTRHCHEI-GJZGRUSLSA-N 2 0 319.320 3.768 20 0 DHADRP CCOc1ccccc1[C@@H](CC)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892779106 1021614608 /nfs/dbraw/zinc/61/46/08/1021614608.db2.gz KQAULRNYLYAOAM-YCXXCVGLSA-N 2 0 302.462 3.751 20 0 DHADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233336 1021620181 /nfs/dbraw/zinc/62/01/81/1021620181.db2.gz PECSZEHMAAYYDE-KRWDZBQOSA-N 2 0 308.416 3.808 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)nc1 ZINC000850581520 1021622426 /nfs/dbraw/zinc/62/24/26/1021622426.db2.gz GCXQMYVCTXYCMP-ZDUSSCGKSA-N 2 0 307.869 3.508 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001172126802 1032992180 /nfs/dbraw/zinc/99/21/80/1032992180.db2.gz YASDUHVYSJOARC-YYAJDYIMSA-N 2 0 302.437 3.978 20 0 DHADRP CC[N@H+](C)Cc1cccc(CNCc2nc(C)c(C)s2)c1 ZINC000892937206 1021697452 /nfs/dbraw/zinc/69/74/52/1021697452.db2.gz AOFMEVPJWKFNSL-UHFFFAOYSA-N 2 0 303.475 3.501 20 0 DHADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000556611571 1021795096 /nfs/dbraw/zinc/79/50/96/1021795096.db2.gz PYDBWXALYOHANR-PXNSSMCTSA-N 2 0 316.489 3.828 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccc(F)cc3)CC1)C2 ZINC001172109090 1033009228 /nfs/dbraw/zinc/00/92/28/1033009228.db2.gz CCMSLCZDPFRHRK-REPLKXPHSA-N 2 0 316.464 3.753 20 0 DHADRP C[C@@H]([NH3+])Cc1cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001172109713 1033012967 /nfs/dbraw/zinc/01/29/67/1033012967.db2.gz KDTXSEKLZXBWRY-BGTYHANMSA-N 2 0 311.473 3.719 20 0 DHADRP CC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000394417955 1021894458 /nfs/dbraw/zinc/89/44/58/1021894458.db2.gz DWRPFPSYIQUEAR-FPOVZHCZSA-N 2 0 324.468 3.825 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)CCc2nsc3ccccc32)CC1 ZINC000659868451 1021895644 /nfs/dbraw/zinc/89/56/44/1021895644.db2.gz OLEOHDYLDZMADU-UHFFFAOYSA-N 2 0 317.502 3.643 20 0 DHADRP CCC[N@@H+]1CC[C@@H](CNCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000619772569 1021903086 /nfs/dbraw/zinc/90/30/86/1021903086.db2.gz PIJKFCCEBQMRRN-HNNXBMFYSA-N 2 0 316.420 3.907 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000556872853 1021914153 /nfs/dbraw/zinc/91/41/53/1021914153.db2.gz RWYLFCXKGFEPBO-JKSUJKDBSA-N 2 0 324.459 3.996 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000556872347 1021914176 /nfs/dbraw/zinc/91/41/76/1021914176.db2.gz PSAPPFJEHMURAE-FAEJEUNOSA-N 2 0 304.478 3.999 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@@H]2CCC[C@H]21 ZINC000556886757 1021920286 /nfs/dbraw/zinc/92/02/86/1021920286.db2.gz VQHQKIDKQCKHCY-GBESFXJTSA-N 2 0 314.473 3.580 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@@H]21 ZINC000556880757 1021923218 /nfs/dbraw/zinc/92/32/18/1021923218.db2.gz SMZZPMUQNJJISF-BVBHFADKSA-N 2 0 302.437 3.666 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@@H]21 ZINC000556880759 1021924088 /nfs/dbraw/zinc/92/40/88/1021924088.db2.gz SMZZPMUQNJJISF-WNHJNPCNSA-N 2 0 302.437 3.666 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000556880934 1021926624 /nfs/dbraw/zinc/92/66/24/1021926624.db2.gz ZGLLUDQMWRMXII-HBRVENNYSA-N 2 0 320.427 3.673 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933376 1021957173 /nfs/dbraw/zinc/95/71/73/1021957173.db2.gz CICLSEXXUXWPPH-LPHOPBHVSA-N 2 0 304.453 3.565 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001172117797 1033020195 /nfs/dbraw/zinc/02/01/95/1033020195.db2.gz NEDUITGXHLTPSH-NNZMDNLPSA-N 2 0 316.489 3.969 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3ccc(Cl)cc31)C2 ZINC001172113205 1033020357 /nfs/dbraw/zinc/02/03/57/1033020357.db2.gz HLBZNOCPDDEQEP-PNBKFKSVSA-N 2 0 320.864 3.769 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000053659045 1022013161 /nfs/dbraw/zinc/01/31/61/1022013161.db2.gz TXAKGUSXWKQGNV-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000053659196 1022013357 /nfs/dbraw/zinc/01/33/57/1022013357.db2.gz YQNBRHQUPJVTEI-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccs1 ZINC000305766761 1022025402 /nfs/dbraw/zinc/02/54/02/1022025402.db2.gz GNGPFKGTOXOGNC-YESZJQIVSA-N 2 0 322.518 3.557 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172185587 1033028533 /nfs/dbraw/zinc/02/85/33/1033028533.db2.gz SYBYPRXKNYDRED-RDJZCZTQSA-N 2 0 306.519 3.804 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)[C@H](C)C1 ZINC000648376983 1022091307 /nfs/dbraw/zinc/09/13/07/1022091307.db2.gz QMHPRNAZNAUUMO-MLGOLLRUSA-N 2 0 321.852 3.643 20 0 DHADRP CC(C)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001172119436 1033023958 /nfs/dbraw/zinc/02/39/58/1033023958.db2.gz ZVCXFFAXTGPXEG-SFNKJDCFSA-N 2 0 301.478 3.774 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(CC)CC ZINC000766487499 1022125474 /nfs/dbraw/zinc/12/54/74/1022125474.db2.gz IAHSAVLMSCYDMQ-IRXDYDNUSA-N 2 0 310.526 3.823 20 0 DHADRP Cc1ccc(C(C)(C)Nc2cccc(CN3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001168803833 1022138629 /nfs/dbraw/zinc/13/86/29/1022138629.db2.gz MVAWXWIALZZIQW-LJQANCHMSA-N 2 0 323.484 3.875 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001205994363 1022170707 /nfs/dbraw/zinc/17/07/07/1022170707.db2.gz LCTQNNOMGDANTN-YPMHNXCESA-N 2 0 318.358 3.651 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCSc1cccc(Cl)c1 ZINC000852746680 1022172226 /nfs/dbraw/zinc/17/22/26/1022172226.db2.gz OGZGTAKSXPHJCE-GOOCMWNKSA-N 2 0 310.894 3.776 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172192140 1033034727 /nfs/dbraw/zinc/03/47/27/1033034727.db2.gz XRIKINFRYNBXHE-NUJGCVRESA-N 2 0 318.530 3.661 20 0 DHADRP COC1CCC(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000893187962 1022188448 /nfs/dbraw/zinc/18/84/48/1022188448.db2.gz WMDZRRVWHCYXJD-UHFFFAOYSA-N 2 0 322.537 3.824 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153592416 1022226273 /nfs/dbraw/zinc/22/62/73/1022226273.db2.gz VTKIUNPAOZXCBV-CQSZACIVSA-N 2 0 308.441 3.607 20 0 DHADRP Cc1c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1C(F)(F)F ZINC001169098106 1022245370 /nfs/dbraw/zinc/24/53/70/1022245370.db2.gz FZNYGGFIQNKLSJ-QDMKHBRRSA-N 2 0 312.379 3.729 20 0 DHADRP CCCC[C@H](CC)COCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099799 1022246332 /nfs/dbraw/zinc/24/63/32/1022246332.db2.gz VXDOFRUXWPPLRB-OKYOBFRVSA-N 2 0 310.526 3.824 20 0 DHADRP CCCC[C@H](CC)COCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169099797 1022246987 /nfs/dbraw/zinc/24/69/87/1022246987.db2.gz VXDOFRUXWPPLRB-CADBVGFASA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169090199 1022256697 /nfs/dbraw/zinc/25/66/97/1022256697.db2.gz IQHVITOFOPIVNT-IGKNTDINSA-N 2 0 302.506 3.806 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CCC1)C2 ZINC001169117078 1022258487 /nfs/dbraw/zinc/25/84/87/1022258487.db2.gz VOXZYDJXVJAUAB-BCDXTJNWSA-N 2 0 302.437 3.506 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1ccccc1F)C2 ZINC001169119401 1022258751 /nfs/dbraw/zinc/25/87/51/1022258751.db2.gz SNCYXJHGNVBANH-BJWYYQGGSA-N 2 0 304.453 3.609 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3ccccc3F)CC1)C2 ZINC001169140325 1022260927 /nfs/dbraw/zinc/26/09/27/1022260927.db2.gz JCJSEVZZWOVAFC-BJWYYQGGSA-N 2 0 302.437 3.630 20 0 DHADRP CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000766600422 1022261306 /nfs/dbraw/zinc/26/13/06/1022261306.db2.gz MBKIUFZMUZNNLA-MOPGFXCFSA-N 2 0 324.553 3.950 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCCc4ccccc43)CC1)C2 ZINC001169128582 1022262092 /nfs/dbraw/zinc/26/20/92/1022262092.db2.gz FLOYEHURVPCWJT-PMOLBWCYSA-N 2 0 324.512 3.982 20 0 DHADRP C[N@H+](Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169141444 1022272572 /nfs/dbraw/zinc/27/25/72/1022272572.db2.gz QLINJXXBRSKHCV-ZSHCYNCHSA-N 2 0 323.278 3.506 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3cccc(Cl)c3)C1)C2 ZINC001169147091 1022278396 /nfs/dbraw/zinc/27/83/96/1022278396.db2.gz SRDALMNKNCOPRR-NRSFXHEJSA-N 2 0 304.865 3.755 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]1c1cc(F)cc(F)c1)C2 ZINC001169160575 1022286225 /nfs/dbraw/zinc/28/62/25/1022286225.db2.gz ILFBDVXAROLYIG-XMTFNYHQSA-N 2 0 306.400 3.727 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172204468 1033040600 /nfs/dbraw/zinc/04/06/00/1033040600.db2.gz PNPVIPGNBKNHJN-SFHVURJKSA-N 2 0 318.530 3.805 20 0 DHADRP CCN1CCC([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240425 1022321639 /nfs/dbraw/zinc/32/16/39/1022321639.db2.gz HYRNTERGWSBYLC-WGSAOQKQSA-N 2 0 321.553 3.623 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(Cc3ccccc3F)CCC2)CC1 ZINC001169240093 1022323130 /nfs/dbraw/zinc/32/31/30/1022323130.db2.gz DIJZVXWHAQRMQX-UHFFFAOYSA-N 2 0 304.453 3.612 20 0 DHADRP CN1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)C[C@H]1c1ccccc1 ZINC000414325014 1022360362 /nfs/dbraw/zinc/36/03/62/1022360362.db2.gz CAXNJUHONBFOBZ-PMACEKPBSA-N 2 0 323.484 3.784 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714853 1022380202 /nfs/dbraw/zinc/38/02/02/1022380202.db2.gz LIKFEEUNFDAIJX-ZHALLVOQSA-N 2 0 312.457 3.711 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@H]2CSc3ccccc3C2)CC1 ZINC001172195691 1033053905 /nfs/dbraw/zinc/05/39/05/1033053905.db2.gz BBBQTGCIFYAEJI-KBAYOESNSA-N 2 0 316.514 3.828 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172195695 1033054218 /nfs/dbraw/zinc/05/42/18/1033054218.db2.gz BBBQTGCIFYAEJI-SZMVWBNQSA-N 2 0 316.514 3.828 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269971997 1022425696 /nfs/dbraw/zinc/42/56/96/1022425696.db2.gz ONHJPBZILICINU-QRQLOZEOSA-N 2 0 300.490 3.959 20 0 DHADRP Cc1ccccc1OC1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207479057 1022450929 /nfs/dbraw/zinc/45/09/29/1022450929.db2.gz CDOIJUNGNVQCBZ-UHFFFAOYSA-N 2 0 316.489 3.570 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000396465395 1022479712 /nfs/dbraw/zinc/47/97/12/1022479712.db2.gz SOGJVNZXMCNOJW-NSHDSACASA-N 2 0 301.261 3.813 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272260280 1022496584 /nfs/dbraw/zinc/49/65/84/1022496584.db2.gz WZBWXLKWKZTKJM-QKLQHJQFSA-N 2 0 309.457 3.643 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272386603 1022502442 /nfs/dbraw/zinc/50/24/42/1022502442.db2.gz XFFDJBMLXYNSKT-SCTDSRPQSA-N 2 0 318.505 3.690 20 0 DHADRP COc1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000272682590 1022511571 /nfs/dbraw/zinc/51/15/71/1022511571.db2.gz VTYDDXXREXIJLB-OAQYLSRUSA-N 2 0 322.452 3.636 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC001172246551 1033066063 /nfs/dbraw/zinc/06/60/63/1033066063.db2.gz NHSYXYBOSWCGCK-IBGZPJMESA-N 2 0 322.468 3.613 20 0 DHADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925577996 1022590983 /nfs/dbraw/zinc/59/09/83/1022590983.db2.gz YKCVSSHLVIXSPR-OTWHNJEPSA-N 2 0 304.478 3.507 20 0 DHADRP CC(C)[PH+](CC[NH2+][C@H]1CCCC2(C1)OCCO2)C(C)C ZINC001169926780 1022596601 /nfs/dbraw/zinc/59/66/01/1022596601.db2.gz GYKUTUFQUYQLGM-HNNXBMFYSA-N 2 0 301.411 3.560 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000158139706 1022607475 /nfs/dbraw/zinc/60/74/75/1022607475.db2.gz OEZWYXASHHCNIG-CVEARBPZSA-N 2 0 312.457 3.841 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000584683951 1022617764 /nfs/dbraw/zinc/61/77/64/1022617764.db2.gz LQSCMHOUPAODGM-PBWTXFEYSA-N 2 0 310.526 3.559 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(C)c1 ZINC001172250361 1033071066 /nfs/dbraw/zinc/07/10/66/1033071066.db2.gz WZLGSWORWNUBJD-HXUWFJFHSA-N 2 0 318.505 3.927 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000158805715 1022667441 /nfs/dbraw/zinc/66/74/41/1022667441.db2.gz CNODBQQKFRGBKG-FPOVZHCZSA-N 2 0 324.468 3.635 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000173307215 1022691269 /nfs/dbraw/zinc/69/12/69/1022691269.db2.gz BAVZIURIOBJZMZ-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000159135182 1022692450 /nfs/dbraw/zinc/69/24/50/1022692450.db2.gz SJKBRAIKAYEIED-IAGOWNOFSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000660245314 1022803103 /nfs/dbraw/zinc/80/31/03/1022803103.db2.gz XFPILLDZYQVLPI-UHFFFAOYSA-N 2 0 319.493 3.886 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000621733229 1022844323 /nfs/dbraw/zinc/84/43/23/1022844323.db2.gz FWQPRUFJPNQZHE-XIRDDKMYSA-N 2 0 308.416 3.532 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172318175 1033085231 /nfs/dbraw/zinc/08/52/31/1033085231.db2.gz ZRCGHSDGUGFYEW-ZWKOTPCHSA-N 2 0 318.505 3.966 20 0 DHADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000621767338 1022863654 /nfs/dbraw/zinc/86/36/54/1022863654.db2.gz CANDXVBQECYRHU-XLAORIBOSA-N 2 0 320.427 3.817 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414911141 1022910496 /nfs/dbraw/zinc/91/04/96/1022910496.db2.gz DLKZFBSOZWPARW-ZWKOTPCHSA-N 2 0 310.441 3.722 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000414923621 1022913252 /nfs/dbraw/zinc/91/32/52/1022913252.db2.gz ISSPVCNEACVWSC-HZPDHXFCSA-N 2 0 314.395 3.888 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000414925402 1022921874 /nfs/dbraw/zinc/92/18/74/1022921874.db2.gz LTFGJPAATIAOTG-IRXDYDNUSA-N 2 0 311.429 3.542 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414929719 1022928412 /nfs/dbraw/zinc/92/84/12/1022928412.db2.gz RYYGQFMPXDRRAB-DAXOMENPSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@@H](CC[NH2+][C@@H](C)c1ccc2c(c1)CCO2)[NH+]1CCCCC1 ZINC000184499372 1022938450 /nfs/dbraw/zinc/93/84/50/1022938450.db2.gz PRRZZOHNZOKAHB-HOTGVXAUSA-N 2 0 302.462 3.537 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172326842 1033088822 /nfs/dbraw/zinc/08/88/22/1033088822.db2.gz BJXHQQAHAIAOQJ-MSOLQXFVSA-N 2 0 318.505 3.616 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H]1CCOC1 ZINC000164998149 1022966137 /nfs/dbraw/zinc/96/61/37/1022966137.db2.gz YWSAPOZDYRGLDH-DFGXFYAUSA-N 2 0 322.518 3.536 20 0 DHADRP FC(F)C1CC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000768688604 1023014957 /nfs/dbraw/zinc/01/49/57/1023014957.db2.gz UIQZQEVRRGEXQZ-KLAILNCOSA-N 2 0 308.416 3.532 20 0 DHADRP CCCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000759800984 1023015926 /nfs/dbraw/zinc/01/59/26/1023015926.db2.gz FHGWOUWCDJIYBZ-UHFFFAOYSA-N 2 0 317.521 3.887 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000298487492 1023033749 /nfs/dbraw/zinc/03/37/49/1023033749.db2.gz PSJFBJFJTONPPN-CYBMUJFWSA-N 2 0 317.383 3.679 20 0 DHADRP C[NH+]1CCC2(CC[N@H+](Cc3c[nH]c4ccc(Cl)cc34)C2)CC1 ZINC001137714188 1023054590 /nfs/dbraw/zinc/05/45/90/1023054590.db2.gz IWWXAWQQKHNJKV-UHFFFAOYSA-N 2 0 317.864 3.739 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000089215408 1023072208 /nfs/dbraw/zinc/07/22/08/1023072208.db2.gz JOZIRGGCTDOKGW-OAQYLSRUSA-N 2 0 321.468 3.884 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215642 1023072913 /nfs/dbraw/zinc/07/29/13/1023072913.db2.gz CIQNGTJFRDCJMM-IIBYNOLFSA-N 2 0 321.468 3.821 20 0 DHADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000769006294 1023076926 /nfs/dbraw/zinc/07/69/26/1023076926.db2.gz YTVFENADBGCVOL-GOSISDBHSA-N 2 0 304.503 3.658 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000089597391 1023089811 /nfs/dbraw/zinc/08/98/11/1023089811.db2.gz PVRFYHQWVCZVRK-SOLBZPMBSA-N 2 0 304.478 3.507 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCN([C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925685035 1023137257 /nfs/dbraw/zinc/13/72/57/1023137257.db2.gz CUGGZPVYKVMVKS-SJORKVTESA-N 2 0 323.569 3.725 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000193980439 1023145205 /nfs/dbraw/zinc/14/52/05/1023145205.db2.gz GYKLXTKKLSPNPL-QWRGUYRKSA-N 2 0 317.296 3.503 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660415425 1023148942 /nfs/dbraw/zinc/14/89/42/1023148942.db2.gz COZSHGUEECZFER-MISYRCLQSA-N 2 0 300.490 3.986 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000769869439 1023224610 /nfs/dbraw/zinc/22/46/10/1023224610.db2.gz ACADVCMIUFMTAZ-HNNXBMFYSA-N 2 0 307.482 3.852 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172332677 1033117222 /nfs/dbraw/zinc/11/72/22/1033117222.db2.gz VFTOFJAUZXJRBD-ROUUACIJSA-N 2 0 322.537 3.921 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769876537 1023239690 /nfs/dbraw/zinc/23/96/90/1023239690.db2.gz SVEVHYZAJHCCJR-XHSDSOJGSA-N 2 0 321.509 3.954 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000769874883 1023239735 /nfs/dbraw/zinc/23/97/35/1023239735.db2.gz MEEHMHADDLMJAR-OAHLLOKOSA-N 2 0 307.482 3.708 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172340436 1033123026 /nfs/dbraw/zinc/12/30/26/1033123026.db2.gz KAQPQBLGBMMVSO-FHWLQOOXSA-N 2 0 310.526 3.921 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172341440 1033125551 /nfs/dbraw/zinc/12/55/51/1033125551.db2.gz ZXJZUKAOWBTMLM-HZPDHXFCSA-N 2 0 322.468 3.669 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651679361 1023453593 /nfs/dbraw/zinc/45/35/93/1023453593.db2.gz YKBJCFQYCSSCMC-HZPDHXFCSA-N 2 0 315.461 3.676 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651704980 1023481706 /nfs/dbraw/zinc/48/17/06/1023481706.db2.gz BTEPOVYOWOWWLS-HNNXBMFYSA-N 2 0 310.844 3.788 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000538722933 1033145962 /nfs/dbraw/zinc/14/59/62/1033145962.db2.gz APMVKUMILUWOEF-KRWDZBQOSA-N 2 0 316.489 3.564 20 0 DHADRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC(C)(C)O3)CCN1C ZINC000538718102 1033141113 /nfs/dbraw/zinc/14/11/13/1033141113.db2.gz USJFQUHEBAPNCE-YJBOKZPZSA-N 2 0 316.489 3.705 20 0 DHADRP COCc1csc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000825916209 1033152439 /nfs/dbraw/zinc/15/24/39/1033152439.db2.gz KONDONOMAJAIHM-UHFFFAOYSA-N 2 0 318.486 3.588 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000652222026 1023707571 /nfs/dbraw/zinc/70/75/71/1023707571.db2.gz CYGOLXNFVHBRDZ-AZUAARDMSA-N 2 0 318.505 3.722 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000205573844 1023722308 /nfs/dbraw/zinc/72/23/08/1023722308.db2.gz NQKDDGWODFVMII-UHFFFAOYSA-N 2 0 316.367 3.548 20 0 DHADRP CC(C)CCC[C@H](C)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001170071223 1023778791 /nfs/dbraw/zinc/77/87/91/1023778791.db2.gz LJENFBRZZMMUPV-KRWDZBQOSA-N 2 0 303.494 3.632 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925731503 1023780371 /nfs/dbraw/zinc/78/03/71/1023780371.db2.gz SXHGGXMRUSEILX-RAIGVLPGSA-N 2 0 315.383 3.657 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc3ccccc32)C1 ZINC000652360689 1023816727 /nfs/dbraw/zinc/81/67/27/1023816727.db2.gz OBQUQNLPRZGXKW-HMXCVIKNSA-N 2 0 324.468 3.701 20 0 DHADRP CC(C)CCC[C@@H](C)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001170078444 1023824823 /nfs/dbraw/zinc/82/48/23/1023824823.db2.gz RZFDPDFOBZOOAP-MRXNPFEDSA-N 2 0 320.525 3.756 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000788026605 1023840112 /nfs/dbraw/zinc/84/01/12/1023840112.db2.gz YFFYXDLBHPJXEW-WOJBJXKFSA-N 2 0 300.490 3.719 20 0 DHADRP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@H]1c1ccccc1 ZINC000788022449 1023846421 /nfs/dbraw/zinc/84/64/21/1023846421.db2.gz NYYURJKZGRLOHX-AZUAARDMSA-N 2 0 300.490 3.844 20 0 DHADRP C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC2CC[NH+](C)CC2)C2CC2)o1 ZINC000788470555 1023889866 /nfs/dbraw/zinc/88/98/66/1023889866.db2.gz KEGAGMVSLQDSPW-KSSFIOAISA-N 2 0 302.462 3.709 20 0 DHADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000538752477 1033171246 /nfs/dbraw/zinc/17/12/46/1033171246.db2.gz OERGOVZMCKVQKQ-MAUKXSAKSA-N 2 0 304.478 3.957 20 0 DHADRP Cc1cncc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000249041511 1023917226 /nfs/dbraw/zinc/91/72/26/1023917226.db2.gz UVPMGORQZGMBOI-MZADTFQBSA-N 2 0 321.468 3.675 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000796702610 1023940517 /nfs/dbraw/zinc/94/05/17/1023940517.db2.gz CGEFXPLUGFBSPF-PMACEKPBSA-N 2 0 300.490 3.923 20 0 DHADRP CC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001172394431 1033178391 /nfs/dbraw/zinc/17/83/91/1033178391.db2.gz UCKKCVVUGLGFFC-IBGZPJMESA-N 2 0 303.494 3.708 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796561 1033179792 /nfs/dbraw/zinc/17/97/92/1033179792.db2.gz LGRYYXYUMPHBKW-YOEHRIQHSA-N 2 0 300.471 3.817 20 0 DHADRP Fc1cccc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662250834 1024032472 /nfs/dbraw/zinc/03/24/72/1024032472.db2.gz OZXZECNYHMDQSX-HXUWFJFHSA-N 2 0 310.416 3.809 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172398494 1033184271 /nfs/dbraw/zinc/18/42/71/1033184271.db2.gz GUPVIJJLAFMBIB-SFHVURJKSA-N 2 0 306.469 3.986 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000662284716 1024064727 /nfs/dbraw/zinc/06/47/27/1024064727.db2.gz OYMIDDUJPBVILC-AQNXPRMDSA-N 2 0 316.489 3.671 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCCC23CCCCC3)cc1 ZINC000662294926 1024078134 /nfs/dbraw/zinc/07/81/34/1024078134.db2.gz HKLASGIVMGNGMX-IEBWSBKVSA-N 2 0 316.489 3.830 20 0 DHADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325618 1024108217 /nfs/dbraw/zinc/10/82/17/1024108217.db2.gz NVZCGVXWRWUUKP-XLIONFOSSA-N 2 0 318.505 3.914 20 0 DHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc2c(c1)COC2 ZINC000268733456 1024150830 /nfs/dbraw/zinc/15/08/30/1024150830.db2.gz NDKNBARQOXNUIX-CVEARBPZSA-N 2 0 302.462 3.632 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000268777708 1024157496 /nfs/dbraw/zinc/15/74/96/1024157496.db2.gz WHLRPLCGTUPONA-IBGZPJMESA-N 2 0 310.441 3.534 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663344243 1024169289 /nfs/dbraw/zinc/16/92/89/1024169289.db2.gz QAIWDVWBWLTMEM-SFHVURJKSA-N 2 0 316.489 3.605 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000162418306 1024171179 /nfs/dbraw/zinc/17/11/79/1024171179.db2.gz OQCHVDFDOZRCRF-MRXNPFEDSA-N 2 0 320.477 3.539 20 0 DHADRP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663343708 1024171806 /nfs/dbraw/zinc/17/18/06/1024171806.db2.gz BYYXFUJHCRRLRV-AWEZNQCLSA-N 2 0 310.532 3.682 20 0 DHADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343817 1024172433 /nfs/dbraw/zinc/17/24/33/1024172433.db2.gz FSXMPTMLJMBDBR-PKOBYXMFSA-N 2 0 300.490 3.638 20 0 DHADRP Cc1ccc2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)ccc2n1 ZINC000663346965 1024179487 /nfs/dbraw/zinc/17/94/87/1024179487.db2.gz YTQMBVSNTVWIBV-LJQANCHMSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@H]([NH2+]CCCC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000268932234 1024199380 /nfs/dbraw/zinc/19/93/80/1024199380.db2.gz MHVLAYDJBZZWBY-ZDUSSCGKSA-N 2 0 318.383 3.620 20 0 DHADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269012693 1024220327 /nfs/dbraw/zinc/22/03/27/1024220327.db2.gz XWCSBGMHMWLNNC-DOTOQJQBSA-N 2 0 306.519 3.628 20 0 DHADRP C=Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000278868571 1024230088 /nfs/dbraw/zinc/23/00/88/1024230088.db2.gz MTWZZSBKFCXMFO-QGZVFWFLSA-N 2 0 324.472 3.648 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC1 ZINC000475680671 1024234201 /nfs/dbraw/zinc/23/42/01/1024234201.db2.gz QRNCWPJSKVYVFU-QRQLOZEOSA-N 2 0 324.553 3.806 20 0 DHADRP COCc1c(C)cc(C)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1C ZINC000883144626 1024255728 /nfs/dbraw/zinc/25/57/28/1024255728.db2.gz VDGPJBWOGFRHJO-UHFFFAOYSA-N 2 0 323.440 3.696 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714618 1024280613 /nfs/dbraw/zinc/28/06/13/1024280613.db2.gz BQEDPQUAOIQMLM-IRXDYDNUSA-N 2 0 309.457 3.741 20 0 DHADRP Cc1ccccc1C[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663393554 1024287658 /nfs/dbraw/zinc/28/76/58/1024287658.db2.gz MXEAGTKGEPUGSF-UHFFFAOYSA-N 2 0 320.440 3.948 20 0 DHADRP c1coc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453059517 1024309540 /nfs/dbraw/zinc/30/95/40/1024309540.db2.gz QLGDIEDVHYJMTM-HSALFYBXSA-N 2 0 310.441 3.812 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001172439442 1033202099 /nfs/dbraw/zinc/20/20/99/1033202099.db2.gz DQWPNVFSBBFFMH-QGZVFWFLSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)OCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172446938 1033203633 /nfs/dbraw/zinc/20/36/33/1033203633.db2.gz NWLNWOWYZNSKCR-KRWDZBQOSA-N 2 0 308.510 3.530 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453121023 1024347426 /nfs/dbraw/zinc/34/74/26/1024347426.db2.gz OFEBLHXPJGTCJK-KRWDZBQOSA-N 2 0 303.494 3.504 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001172446567 1033204269 /nfs/dbraw/zinc/20/42/69/1033204269.db2.gz CASSQTSQFMLYQT-KRWDZBQOSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001170144499 1024379880 /nfs/dbraw/zinc/37/98/80/1024379880.db2.gz KJYMHBSMNFFRCD-SJLPKXTDSA-N 2 0 302.462 3.756 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCC4(CCC4)O3)CC2)C1 ZINC000883356655 1024401135 /nfs/dbraw/zinc/40/11/35/1024401135.db2.gz RVXAOJIGDMZYPC-QRQLOZEOSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1ccccc1C1CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663466652 1024409002 /nfs/dbraw/zinc/40/90/02/1024409002.db2.gz XAIXSUPNIXYASI-HDYDNRTBSA-N 2 0 312.501 3.953 20 0 DHADRP Cc1ccc(C2CC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663466568 1024410747 /nfs/dbraw/zinc/41/07/47/1024410747.db2.gz VPXUQNFTNFJEDE-KMFTYDHNSA-N 2 0 312.501 3.953 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468872 1024411817 /nfs/dbraw/zinc/41/18/17/1024411817.db2.gz NEWBFSJVWIDHFY-AEFFLSMTSA-N 2 0 316.514 3.935 20 0 DHADRP Fc1ccccc1C1CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663466531 1024412558 /nfs/dbraw/zinc/41/25/58/1024412558.db2.gz VCWIGNVLLRXCMQ-WWDZGPRUSA-N 2 0 316.464 3.783 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1N(C)C ZINC000663467787 1024415259 /nfs/dbraw/zinc/41/52/59/1024415259.db2.gz HZYASUPGIYVGSW-SJLPKXTDSA-N 2 0 315.505 3.525 20 0 DHADRP C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663471140 1024418307 /nfs/dbraw/zinc/41/83/07/1024418307.db2.gz WZGKBZXXDPRWLB-UKRRQHHQSA-N 2 0 308.416 3.737 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663469921 1024420952 /nfs/dbraw/zinc/42/09/52/1024420952.db2.gz RRGXWWQDROTOGU-HOCLYGCPSA-N 2 0 320.452 3.607 20 0 DHADRP c1ccc([C@H]2CCC[C@@H](C[N@H+](C3CC3)C3CC[NH2+]CC3)O2)cc1 ZINC000883416539 1024432430 /nfs/dbraw/zinc/43/24/30/1024432430.db2.gz XTXLYZYFXICGMZ-VQTJNVASSA-N 2 0 314.473 3.513 20 0 DHADRP C[N@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424454 1024433126 /nfs/dbraw/zinc/43/31/26/1024433126.db2.gz SQYMZTBMSVKDEI-VYFYYAICSA-N 2 0 314.473 3.512 20 0 DHADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000883424441 1024434077 /nfs/dbraw/zinc/43/40/77/1024434077.db2.gz SIZQOKNNQPGLNP-PMACEKPBSA-N 2 0 316.489 3.618 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C)o2)CC1)CC1CC1 ZINC000538858040 1033211469 /nfs/dbraw/zinc/21/14/69/1033211469.db2.gz HWICMIGGIUNWBV-UHFFFAOYSA-N 2 0 304.478 3.922 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2CC)[C@H](C)C1 ZINC000453296603 1024444383 /nfs/dbraw/zinc/44/43/83/1024444383.db2.gz YWCDXBWDDOWSFN-YRXWBPOGSA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000453275523 1024448321 /nfs/dbraw/zinc/44/83/21/1024448321.db2.gz YMNPLKYSNUFPKY-XEYPJELSSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@@H]1C[C@H]([NH+]2CCC(Cc3c(F)cccc3F)CC2)CCN1C ZINC000453341237 1024470281 /nfs/dbraw/zinc/47/02/81/1024470281.db2.gz COTHIHRNFHPLDI-GDBMZVCRSA-N 2 0 322.443 3.702 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(C)ccc1OC ZINC000453398292 1024497905 /nfs/dbraw/zinc/49/79/05/1024497905.db2.gz KLZWQFZGKOPEQR-GOSISDBHSA-N 2 0 304.478 3.919 20 0 DHADRP c1c2ccccc2oc1[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccnc1 ZINC000643497695 1024498875 /nfs/dbraw/zinc/49/88/75/1024498875.db2.gz VRPLMAGZELBBDO-HXUWFJFHSA-N 2 0 321.424 3.506 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001167827207 1024508573 /nfs/dbraw/zinc/50/85/73/1024508573.db2.gz USCVHESIFGTZLM-APWZRJJASA-N 2 0 322.468 3.789 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453392453 1024510746 /nfs/dbraw/zinc/51/07/46/1024510746.db2.gz FLJXNYLSDSPCTP-CYBMUJFWSA-N 2 0 310.869 3.874 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453396437 1024512445 /nfs/dbraw/zinc/51/24/45/1024512445.db2.gz ITVWCGIOUTVLAE-IBGZPJMESA-N 2 0 302.462 3.537 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)nc1 ZINC000453436900 1024514662 /nfs/dbraw/zinc/51/46/62/1024514662.db2.gz VAAGHCWTRCMLPH-XLIONFOSSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000643528329 1024529105 /nfs/dbraw/zinc/52/91/05/1024529105.db2.gz HBUZMUAILQBEMN-NILFDRSVSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000271544604 1024536088 /nfs/dbraw/zinc/53/60/88/1024536088.db2.gz UVBVSQTYDVFPOA-DGCLKSJQSA-N 2 0 323.893 3.565 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453602544 1024548750 /nfs/dbraw/zinc/54/87/50/1024548750.db2.gz WSGHJWWGUJOTNV-UHFFFAOYSA-N 2 0 312.404 3.560 20 0 DHADRP Fc1ccc(C2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000643549165 1024549823 /nfs/dbraw/zinc/54/98/23/1024549823.db2.gz KWEUJBQSUXVKHV-XGVWBKLPSA-N 2 0 316.464 3.830 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001167834356 1024583792 /nfs/dbraw/zinc/58/37/92/1024583792.db2.gz IVJKPKZYBPQBPQ-SFHVURJKSA-N 2 0 323.569 3.836 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000532237297 1024587886 /nfs/dbraw/zinc/58/78/86/1024587886.db2.gz BGINIOVZFNPQHQ-IBGZPJMESA-N 2 0 318.530 3.729 20 0 DHADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643457470 1024612918 /nfs/dbraw/zinc/61/29/18/1024612918.db2.gz FNWLEEPGZBJMBS-MSOLQXFVSA-N 2 0 310.441 3.707 20 0 DHADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643457471 1024613395 /nfs/dbraw/zinc/61/33/95/1024613395.db2.gz FNWLEEPGZBJMBS-QZTJIDSGSA-N 2 0 310.441 3.707 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000925801761 1024614448 /nfs/dbraw/zinc/61/44/48/1024614448.db2.gz XBOYVMHRVDMSCT-YRGRVCCFSA-N 2 0 300.368 3.602 20 0 DHADRP CSC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925802614 1024622542 /nfs/dbraw/zinc/62/25/42/1024622542.db2.gz PELXQRHYWAKMBU-KWXGJIJISA-N 2 0 310.551 3.809 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458556 1024626628 /nfs/dbraw/zinc/62/66/28/1024626628.db2.gz DFYZNPJBWXFOFT-OGBGREFGSA-N 2 0 320.321 3.611 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1Br ZINC000222903399 1024659601 /nfs/dbraw/zinc/65/96/01/1024659601.db2.gz QKKRFNLFJBPDIM-LLVKDONJSA-N 2 0 317.246 3.581 20 0 DHADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000432419198 1024666326 /nfs/dbraw/zinc/66/63/26/1024666326.db2.gz ZVIVDRAMAWHXBG-WBVHZDCISA-N 2 0 310.507 3.680 20 0 DHADRP Cc1ccc2cc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)ccc2n1 ZINC000349149039 1024680209 /nfs/dbraw/zinc/68/02/09/1024680209.db2.gz KVXLBJBZFOYHLR-FQEVSTJZSA-N 2 0 323.484 3.707 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c2cccnc12 ZINC000349409619 1024715203 /nfs/dbraw/zinc/71/52/03/1024715203.db2.gz RUXJOXMXMBNIJG-UHFFFAOYSA-N 2 0 305.853 3.662 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2nc(C)sc2c1 ZINC000349416702 1024715646 /nfs/dbraw/zinc/71/56/46/1024715646.db2.gz LBXLXMYHHOBVTP-UHFFFAOYSA-N 2 0 305.491 3.768 20 0 DHADRP C[C@H](Cc1ccccc1Cl)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001170259147 1024717290 /nfs/dbraw/zinc/71/72/90/1024717290.db2.gz BPKQGUQSNYUKCD-OAHLLOKOSA-N 2 0 308.897 3.983 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C[NH+]1CCCCC1 ZINC000321314612 1024784599 /nfs/dbraw/zinc/78/45/99/1024784599.db2.gz DPBLMGXXTBMFHM-INIZCTEOSA-N 2 0 316.489 3.612 20 0 DHADRP CC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000319824220 1024801496 /nfs/dbraw/zinc/80/14/96/1024801496.db2.gz KGAUFCLHMMYISE-KRWDZBQOSA-N 2 0 316.489 3.971 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666239421 1024824469 /nfs/dbraw/zinc/82/44/69/1024824469.db2.gz JPUMKSUTWUQASM-GOEBONIOSA-N 2 0 306.881 3.517 20 0 DHADRP CC(C)(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000643463545 1024845973 /nfs/dbraw/zinc/84/59/73/1024845973.db2.gz CPKZOMBOWNAPLO-OTWHNJEPSA-N 2 0 300.490 3.865 20 0 DHADRP C[C@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000162874149 1024917483 /nfs/dbraw/zinc/91/74/83/1024917483.db2.gz YVTLTIOYPQUOKT-ABSDTBQOSA-N 2 0 316.489 3.543 20 0 DHADRP C[N@H+](CCCNCc1cc(F)ccc1F)Cc1ccccc1 ZINC000058518926 1024941707 /nfs/dbraw/zinc/94/17/07/1024941707.db2.gz VGWOIGLADWOERB-UHFFFAOYSA-N 2 0 304.384 3.577 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000353401891 1025054532 /nfs/dbraw/zinc/05/45/32/1025054532.db2.gz IYMXHKRYGBQKHK-XUJLQICISA-N 2 0 308.466 3.825 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000648496107 1025090188 /nfs/dbraw/zinc/09/01/88/1025090188.db2.gz OGKBVHNUQHNQRS-RBUKOAKNSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000021814631 1025103404 /nfs/dbraw/zinc/10/34/04/1025103404.db2.gz CWPRQLIMLQGRMX-CYBMUJFWSA-N 2 0 300.368 3.842 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cc(C3CC3)ccn2)[C@@H](C)C1 ZINC000353552261 1025126076 /nfs/dbraw/zinc/12/60/76/1025126076.db2.gz YFNHZHCKQVQOBA-YJBOKZPZSA-N 2 0 317.477 3.508 20 0 DHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1F ZINC000353606283 1025148503 /nfs/dbraw/zinc/14/85/03/1025148503.db2.gz DJLALGSHSAUDQO-INIZCTEOSA-N 2 0 310.482 3.694 20 0 DHADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C)c1 ZINC000353603650 1025149196 /nfs/dbraw/zinc/14/91/96/1025149196.db2.gz HQOCRMWCWGECGL-HKUYNNGSSA-N 2 0 304.478 3.537 20 0 DHADRP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663780737 1025153691 /nfs/dbraw/zinc/15/36/91/1025153691.db2.gz WLRJVMLJKNBDIQ-WBVHZDCISA-N 2 0 320.440 3.885 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000353633833 1025164890 /nfs/dbraw/zinc/16/48/90/1025164890.db2.gz UHOATLFCLXAWPX-CMTQZCSUSA-N 2 0 316.489 3.617 20 0 DHADRP CC1CCC([NH2+]CCSCc2ccc(C[NH+](C)C)o2)CC1 ZINC001168193154 1025165022 /nfs/dbraw/zinc/16/50/22/1025165022.db2.gz PZFVRSVGDYOOIK-UHFFFAOYSA-N 2 0 310.507 3.743 20 0 DHADRP Cc1ccncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000353659370 1025183656 /nfs/dbraw/zinc/18/36/56/1025183656.db2.gz RELSAGFUQDUNQC-GOSISDBHSA-N 2 0 315.505 3.867 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000539068946 1033265255 /nfs/dbraw/zinc/26/52/55/1033265255.db2.gz JSKFPISROGADAB-MAUKXSAKSA-N 2 0 324.896 3.819 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000539069361 1033266484 /nfs/dbraw/zinc/26/64/84/1033266484.db2.gz YXYLUZLIOXHGFV-ZBFHGGJFSA-N 2 0 310.869 3.571 20 0 DHADRP COC(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925270880 1025283672 /nfs/dbraw/zinc/28/36/72/1025283672.db2.gz QGXUPCQEYAGWIZ-YQQQUEKLSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1ccc(CCC[NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)cn1 ZINC000353914191 1025288333 /nfs/dbraw/zinc/28/83/33/1025288333.db2.gz KTWDCIHTPMERPS-HXUWFJFHSA-N 2 0 317.521 3.669 20 0 DHADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000282569021 1025292437 /nfs/dbraw/zinc/29/24/37/1025292437.db2.gz UZIMFEMMHKFETN-OAHLLOKOSA-N 2 0 314.395 3.829 20 0 DHADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000152029220 1025297063 /nfs/dbraw/zinc/29/70/63/1025297063.db2.gz WWBRBVOUDPODBE-UHFFFAOYSA-N 2 0 310.526 3.704 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccs1 ZINC000171126779 1025300205 /nfs/dbraw/zinc/30/02/05/1025300205.db2.gz RYFSHKKEJBPQTQ-OAHLLOKOSA-N 2 0 318.486 3.929 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000279892029 1025308956 /nfs/dbraw/zinc/30/89/56/1025308956.db2.gz ABLHUVSASQMSBJ-QRXXOTLXSA-N 2 0 304.453 3.780 20 0 DHADRP CC1CCC([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CC1 ZINC001168205668 1025320952 /nfs/dbraw/zinc/32/09/52/1025320952.db2.gz IGQAYVZBMTXBJL-UHFFFAOYSA-N 2 0 304.453 3.740 20 0 DHADRP COc1cccc(C2([NH3+])CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC001168205973 1025321043 /nfs/dbraw/zinc/32/10/43/1025321043.db2.gz NYPJIZHSFFQGRR-UHFFFAOYSA-N 2 0 302.462 3.524 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2ccc([C@@H]3CCC[NH2+]3)cn2)CC1(C)C ZINC001170454554 1025321696 /nfs/dbraw/zinc/32/16/96/1025321696.db2.gz XGZMYCOIOUYXMG-INIZCTEOSA-N 2 0 316.493 3.569 20 0 DHADRP COCCC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000925273531 1025334496 /nfs/dbraw/zinc/33/44/96/1025334496.db2.gz WFTCJCDBHXIRDD-MRXNPFEDSA-N 2 0 304.478 3.606 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000438101394 1025371791 /nfs/dbraw/zinc/37/17/91/1025371791.db2.gz AWZWPIDFELCWAU-SLFFLAALSA-N 2 0 323.569 3.551 20 0 DHADRP Cc1cc(F)c(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000925873722 1025388883 /nfs/dbraw/zinc/38/88/83/1025388883.db2.gz CSKDCDKXWODZNI-SFHVURJKSA-N 2 0 304.384 3.843 20 0 DHADRP Cc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000366249351 1025393639 /nfs/dbraw/zinc/39/36/39/1025393639.db2.gz JRTVKRAYWWTIMJ-OXJNMPFZSA-N 2 0 315.505 3.565 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123703229 1025394834 /nfs/dbraw/zinc/39/48/34/1025394834.db2.gz QSXWSQDECWDXCK-NRFANRHFSA-N 2 0 324.468 3.924 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000125355510 1025398229 /nfs/dbraw/zinc/39/82/29/1025398229.db2.gz UAHVNIPHZNFCDH-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885903576 1025401657 /nfs/dbraw/zinc/40/16/57/1025401657.db2.gz RPMQVABEZDFPOH-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885903575 1025401931 /nfs/dbraw/zinc/40/19/31/1025401931.db2.gz RPMQVABEZDFPOH-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000885924821 1025406004 /nfs/dbraw/zinc/40/60/04/1025406004.db2.gz VJUAXCYYZQLDFV-HUUCEWRRSA-N 2 0 309.885 3.583 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885922749 1025406049 /nfs/dbraw/zinc/40/60/49/1025406049.db2.gz GXGWCHOJDXJDMC-RBUKOAKNSA-N 2 0 322.537 3.970 20 0 DHADRP Cc1ccncc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000354331556 1025406688 /nfs/dbraw/zinc/40/66/88/1025406688.db2.gz DNFYCEAENPKNTF-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP Cc1ccc(CCC[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000354333118 1025407364 /nfs/dbraw/zinc/40/73/64/1025407364.db2.gz XHJZWILRBGINAN-UHFFFAOYSA-N 2 0 303.494 3.568 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(F)c1 ZINC000658358239 1025432067 /nfs/dbraw/zinc/43/20/67/1025432067.db2.gz ZHSFFBWXGIRUIJ-LJQANCHMSA-N 2 0 304.453 3.988 20 0 DHADRP CC[NH+]1CCC(N(C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000125254899 1025463431 /nfs/dbraw/zinc/46/34/31/1025463431.db2.gz XSFKYHJMDWMAIK-UHFFFAOYSA-N 2 0 321.515 3.788 20 0 DHADRP C[C@H]([NH2+]CC1(C(F)F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348365994 1025521931 /nfs/dbraw/zinc/52/19/31/1025521931.db2.gz DVPBKLRCKOQDJH-GOEBONIOSA-N 2 0 308.416 3.532 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C)OCc2ccccc2)C[C@@H]1C ZINC000354865677 1025527438 /nfs/dbraw/zinc/52/74/38/1025527438.db2.gz VSQRFPXIRGCUGQ-NSHGMRRFSA-N 2 0 318.505 3.786 20 0 DHADRP Cc1ccccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354866540 1025529361 /nfs/dbraw/zinc/52/93/61/1025529361.db2.gz ZKZBWOXEJFWGQK-UHFFFAOYSA-N 2 0 309.457 3.738 20 0 DHADRP C[NH+]1CCC(C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000893996552 1025639272 /nfs/dbraw/zinc/63/92/72/1025639272.db2.gz HLMWFLPLVKIHEE-UHFFFAOYSA-N 2 0 314.395 3.783 20 0 DHADRP c1cnc2c(c1)CC[C@@H]2[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000886522004 1025674428 /nfs/dbraw/zinc/67/44/28/1025674428.db2.gz ABFTZEJRBOXIQT-SFHVURJKSA-N 2 0 301.478 3.705 20 0 DHADRP Cc1noc(C)c1C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886530206 1025681215 /nfs/dbraw/zinc/68/12/15/1025681215.db2.gz GEEMBSYRVMBOFZ-STJZUHDESA-N 2 0 319.493 3.609 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000886535306 1025683682 /nfs/dbraw/zinc/68/36/82/1025683682.db2.gz XXPVNMFITMGLFP-JLAWEPINSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1c(F)cncc1F ZINC000886608858 1025734881 /nfs/dbraw/zinc/73/48/81/1025734881.db2.gz GZHWCAIZMKKHJJ-WRSVWVKZSA-N 2 0 323.431 3.808 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612556 1025736481 /nfs/dbraw/zinc/73/64/81/1025736481.db2.gz OMOGPLJSRJUYBR-ZNMIVQPWSA-N 2 0 304.400 3.525 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000886631696 1025750523 /nfs/dbraw/zinc/75/05/23/1025750523.db2.gz UIILQWJSFJNWAU-GPJFCIFZSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c(Cl)n1 ZINC000886651456 1025763422 /nfs/dbraw/zinc/76/34/22/1025763422.db2.gz GGTWVRJAMOBBIC-UHFFFAOYSA-N 2 0 321.896 3.930 20 0 DHADRP CSc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134928875 1025825548 /nfs/dbraw/zinc/82/55/48/1025825548.db2.gz PQMAZRKPHLNBOG-APWZRJJASA-N 2 0 316.514 3.857 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000355782973 1025838738 /nfs/dbraw/zinc/83/87/38/1025838738.db2.gz YCHVIOKKVPPZQW-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C)(C2CC2)CC1 ZINC000356287546 1026006698 /nfs/dbraw/zinc/00/66/98/1026006698.db2.gz UQYZBOBMTSXVDI-UHFFFAOYSA-N 2 0 310.445 3.588 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000237393212 1026012644 /nfs/dbraw/zinc/01/26/44/1026012644.db2.gz AVCPFOUUBISJMY-MRXNPFEDSA-N 2 0 314.429 3.605 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000430006554 1026083644 /nfs/dbraw/zinc/08/36/44/1026083644.db2.gz YJOBTVDSGRAKOJ-UHFFFAOYSA-N 2 0 300.490 3.870 20 0 DHADRP COCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245638391 1026108188 /nfs/dbraw/zinc/10/81/88/1026108188.db2.gz AHLXFSLAOWCPCX-ACDBMABISA-N 2 0 316.489 3.588 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000093742131 1026125074 /nfs/dbraw/zinc/12/50/74/1026125074.db2.gz FYYGDDRNOMBAQA-IBGZPJMESA-N 2 0 323.484 3.912 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCCS2)C3)cc1 ZINC000245736454 1026183780 /nfs/dbraw/zinc/18/37/80/1026183780.db2.gz QXJVEOAZPWXLGO-RDGPPVDQSA-N 2 0 316.514 3.667 20 0 DHADRP C[C@H]([NH2+]CCCSc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000154344325 1026295059 /nfs/dbraw/zinc/29/50/59/1026295059.db2.gz HNQGXAPLFFFCOU-AWEZNQCLSA-N 2 0 310.482 3.628 20 0 DHADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647796859 1026320471 /nfs/dbraw/zinc/32/04/71/1026320471.db2.gz PZKYXIKDNAIMFY-LLXMKHSQSA-N 2 0 322.855 3.645 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nccc2ccccc21 ZINC000894180846 1026331043 /nfs/dbraw/zinc/33/10/43/1026331043.db2.gz RSDFUPYGWXEJGA-QGZVFWFLSA-N 2 0 311.473 3.979 20 0 DHADRP CCCCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808694487 1026348894 /nfs/dbraw/zinc/34/88/94/1026348894.db2.gz DIJPGPIQFVCRJD-MJGOQNOKSA-N 2 0 323.569 3.740 20 0 DHADRP Clc1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727706 1026374134 /nfs/dbraw/zinc/37/41/34/1026374134.db2.gz KYHMQXBDBOUGCK-UHFFFAOYSA-N 2 0 313.272 3.959 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CCc2c1c(F)ccc2F ZINC000513488287 1026525207 /nfs/dbraw/zinc/52/52/07/1026525207.db2.gz SDWVZFUIDXFDKA-GUYCJALGSA-N 2 0 308.416 3.806 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000513656948 1026553320 /nfs/dbraw/zinc/55/33/20/1026553320.db2.gz ZLRAVIXZNLMYGE-JYJNAYRXSA-N 2 0 312.379 3.668 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@H]2CCC[C@H]21 ZINC000513667004 1026555222 /nfs/dbraw/zinc/55/52/22/1026555222.db2.gz PBOKMEKKEKJUKM-HSALFYBXSA-N 2 0 324.468 3.681 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000513673684 1026557094 /nfs/dbraw/zinc/55/70/94/1026557094.db2.gz VTARHVZWEDCAFB-KZNAEPCWSA-N 2 0 304.503 3.550 20 0 DHADRP COC1(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC000809737309 1026609081 /nfs/dbraw/zinc/60/90/81/1026609081.db2.gz FVHSPLAYGDMWAT-UHFFFAOYSA-N 2 0 304.478 3.529 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc3ccccc3c2)cc1 ZINC000809739166 1026611389 /nfs/dbraw/zinc/61/13/89/1026611389.db2.gz ZSWPMPVVMLERHN-UHFFFAOYSA-N 2 0 319.452 3.928 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000810253546 1026731676 /nfs/dbraw/zinc/73/16/76/1026731676.db2.gz WPSZZBNWGKROSH-GVDBMIGSSA-N 2 0 310.551 3.762 20 0 DHADRP Cc1cc(N2CC[C@](C)(C[NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420236867 1026793590 /nfs/dbraw/zinc/79/35/90/1026793590.db2.gz FCUWPWOCOFDPDE-QGZVFWFLSA-N 2 0 303.837 3.680 20 0 DHADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000420315440 1026801077 /nfs/dbraw/zinc/80/10/77/1026801077.db2.gz MGIAAFUTBHIWFF-QMMLZNLJSA-N 2 0 324.443 3.877 20 0 DHADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330159 1026806118 /nfs/dbraw/zinc/80/61/18/1026806118.db2.gz PNJOPBFCKSOFHJ-SNPRPXQTSA-N 2 0 310.844 3.862 20 0 DHADRP c1csc([C@H]2c3ccsc3CC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420327333 1026806038 /nfs/dbraw/zinc/80/60/38/1026806038.db2.gz YIJIVCCMSBMKRY-SUMWQHHRSA-N 2 0 318.511 3.757 20 0 DHADRP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420326759 1026807281 /nfs/dbraw/zinc/80/72/81/1026807281.db2.gz XPHBDTCEFIEGIB-NWDGAFQWSA-N 2 0 301.261 3.986 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 ZINC000420377521 1026808926 /nfs/dbraw/zinc/80/89/26/1026808926.db2.gz SFEXIMUWDCKUGR-AZUAARDMSA-N 2 0 312.457 3.724 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000420372567 1026809084 /nfs/dbraw/zinc/80/90/84/1026809084.db2.gz YHFGOMIILLCOCI-IBGZPJMESA-N 2 0 312.457 3.586 20 0 DHADRP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420391339 1026811617 /nfs/dbraw/zinc/81/16/17/1026811617.db2.gz AQSSVFNZTBOMTQ-FXAWDEMLSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@H](c1ccccc1Cl)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420382476 1026812249 /nfs/dbraw/zinc/81/22/49/1026812249.db2.gz PUNWHQVEXRWUIL-XWIAVFTESA-N 2 0 322.880 3.619 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000420385007 1026812453 /nfs/dbraw/zinc/81/24/53/1026812453.db2.gz FAPSOJKYHAVUAT-UZLBHIALSA-N 2 0 309.457 3.507 20 0 DHADRP Clc1ccc(SC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420375839 1026814080 /nfs/dbraw/zinc/81/40/80/1026814080.db2.gz PVMXDHUTPAFJTB-AWEZNQCLSA-N 2 0 324.921 3.896 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000420413770 1026814473 /nfs/dbraw/zinc/81/44/73/1026814473.db2.gz SYLLQJPSHQMUQU-GFCCVEGCSA-N 2 0 300.368 3.746 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc(C)n1 ZINC000421373719 1026967217 /nfs/dbraw/zinc/96/72/17/1026967217.db2.gz GWGATDMTMVFHFW-NQIIRXRSSA-N 2 0 323.484 3.841 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000421380162 1026971522 /nfs/dbraw/zinc/97/15/22/1026971522.db2.gz LVCQQCYJHOWZMG-RXVVDRJESA-N 2 0 323.484 3.699 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000421387702 1026977046 /nfs/dbraw/zinc/97/70/46/1026977046.db2.gz PIWNGHDVMNGEHA-MOPGFXCFSA-N 2 0 318.505 3.692 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CCc3ccc(F)cc3Cl)C2)CC1 ZINC000811500570 1027022637 /nfs/dbraw/zinc/02/26/37/1027022637.db2.gz HACYTMZKGMECOL-UHFFFAOYSA-N 2 0 324.871 3.829 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421823968 1027056837 /nfs/dbraw/zinc/05/68/37/1027056837.db2.gz GEZLQRBYQWIEKL-KGLIPLIRSA-N 2 0 312.860 3.732 20 0 DHADRP COc1ccc([C@H]([NH2+]CCCC[N@H+](C)C2CC2)C2CC2)c(F)c1 ZINC000421855778 1027068356 /nfs/dbraw/zinc/06/83/56/1027068356.db2.gz MYLPJJDCJOHQKX-LJQANCHMSA-N 2 0 320.452 3.749 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421879400 1027078044 /nfs/dbraw/zinc/07/80/44/1027078044.db2.gz OYWJROALLWSBSB-GRTSSRMGSA-N 2 0 310.869 3.872 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421879404 1027078648 /nfs/dbraw/zinc/07/86/48/1027078648.db2.gz OYWJROALLWSBSB-LRVUVFPRSA-N 2 0 310.869 3.872 20 0 DHADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000931466462 1027133837 /nfs/dbraw/zinc/13/38/37/1027133837.db2.gz VXCYWHKWVCPBNJ-MUJYYYPQSA-N 2 0 312.448 3.618 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CCc2nccc(N)c2C1 ZINC000931514620 1027149348 /nfs/dbraw/zinc/14/93/48/1027149348.db2.gz DAYLFTRVNLIWAB-CQSZACIVSA-N 2 0 313.470 3.593 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659464 1027171866 /nfs/dbraw/zinc/17/18/66/1027171866.db2.gz PQTFEGBJWQWCJH-KRWDZBQOSA-N 2 0 322.443 3.806 20 0 DHADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659745 1027174776 /nfs/dbraw/zinc/17/47/76/1027174776.db2.gz RKCLWEYLJWAHKJ-MRXNPFEDSA-N 2 0 310.432 3.534 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)CC(C)(C)CC[NH3+] ZINC001170665624 1027190267 /nfs/dbraw/zinc/19/02/67/1027190267.db2.gz AGOJYZHQNPBXCC-XJKSGUPXSA-N 2 0 324.459 3.813 20 0 DHADRP CCC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000572340619 1027195353 /nfs/dbraw/zinc/19/53/53/1027195353.db2.gz SQCFNHQJABNGQO-LPHOPBHVSA-N 2 0 301.478 3.999 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000572653381 1027221472 /nfs/dbraw/zinc/22/14/72/1027221472.db2.gz KERACKDKPXATLV-YOEHRIQHSA-N 2 0 322.468 3.922 20 0 DHADRP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000572808769 1027233583 /nfs/dbraw/zinc/23/35/83/1027233583.db2.gz DMYXUBAWDXKHNM-HNNXBMFYSA-N 2 0 318.461 3.532 20 0 DHADRP CSCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000362488231 1027243604 /nfs/dbraw/zinc/24/36/04/1027243604.db2.gz WXOLZJZKXQKCGE-LJQANCHMSA-N 2 0 318.530 3.728 20 0 DHADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924953824 1027276743 /nfs/dbraw/zinc/27/67/43/1027276743.db2.gz CALJIBSESGVWEV-QGZVFWFLSA-N 2 0 319.493 3.996 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000422709496 1027296377 /nfs/dbraw/zinc/29/63/77/1027296377.db2.gz DQVBCQMQEVDNPX-GOEBONIOSA-N 2 0 310.507 3.592 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000422703879 1027297767 /nfs/dbraw/zinc/29/77/67/1027297767.db2.gz JEDWIKFYRLKYPG-RHSMWYFYSA-N 2 0 310.457 3.726 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422733929 1027301657 /nfs/dbraw/zinc/30/16/57/1027301657.db2.gz SAOAJTFNQJRTQH-KRWDZBQOSA-N 3 0 317.521 3.668 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC000422713206 1027304179 /nfs/dbraw/zinc/30/41/79/1027304179.db2.gz PMDGCJQYLNBYOQ-QAPCUYQASA-N 2 0 318.461 3.782 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724529 1027305204 /nfs/dbraw/zinc/30/52/04/1027305204.db2.gz VXLYSHBUMXCVBS-HZPDHXFCSA-N 2 0 314.395 3.888 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1OCCC ZINC000422759417 1027305480 /nfs/dbraw/zinc/30/54/80/1027305480.db2.gz KCZQXNYZCQPMFX-OAHLLOKOSA-N 2 0 320.477 3.667 20 0 DHADRP C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422762016 1027306062 /nfs/dbraw/zinc/30/60/62/1027306062.db2.gz NIRYZAMFDVHYLR-GUDVDZBRSA-N 2 0 308.510 3.626 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724527 1027306508 /nfs/dbraw/zinc/30/65/08/1027306508.db2.gz VXLYSHBUMXCVBS-CVEARBPZSA-N 2 0 314.395 3.888 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCSCc1cccc2ccccc21 ZINC000422758571 1027308439 /nfs/dbraw/zinc/30/84/39/1027308439.db2.gz KKSTUQBHCOREEJ-GJZGRUSLSA-N 2 0 302.487 3.788 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422743548 1027309339 /nfs/dbraw/zinc/30/93/39/1027309339.db2.gz RRHSFZUVDGKZBH-LSDHHAIUSA-N 2 0 323.550 3.884 20 0 DHADRP COc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422741326 1027311040 /nfs/dbraw/zinc/31/10/40/1027311040.db2.gz POKDUQNBNPHXFT-SLFFLAALSA-N 2 0 316.489 3.528 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422770039 1027312661 /nfs/dbraw/zinc/31/26/61/1027312661.db2.gz WFICRLJEUDJGCB-ZDUSSCGKSA-N 2 0 315.436 3.616 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCSc1ccccc1 ZINC000422768224 1027315123 /nfs/dbraw/zinc/31/51/23/1027315123.db2.gz ZHVQXKDSJKKSIC-QFBILLFUSA-N 2 0 314.498 3.717 20 0 DHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000422773695 1027316648 /nfs/dbraw/zinc/31/66/48/1027316648.db2.gz UPZZBFZRIRJGQU-GUDVDZBRSA-N 2 0 316.464 3.758 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000422778232 1027319534 /nfs/dbraw/zinc/31/95/34/1027319534.db2.gz GXHVCUWNJJFFNA-CQSZACIVSA-N 2 0 311.473 3.997 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422783054 1027319565 /nfs/dbraw/zinc/31/95/65/1027319565.db2.gz MOYTYYQVSMQEPQ-RBUKOAKNSA-N 2 0 305.425 3.753 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000422784759 1027323199 /nfs/dbraw/zinc/32/31/99/1027323199.db2.gz OLIBFIBIOGEDPG-IRXDYDNUSA-N 2 0 312.885 3.771 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422804341 1027325964 /nfs/dbraw/zinc/32/59/64/1027325964.db2.gz HLHIPCCETNBSMD-NEWSRXKRSA-N 2 0 304.478 3.570 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798698 1027326028 /nfs/dbraw/zinc/32/60/28/1027326028.db2.gz SLEJNHBPYUONJQ-NEPJUHHUSA-N 2 0 319.399 3.581 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(c2ccccc2)CCC1 ZINC000422811138 1027331816 /nfs/dbraw/zinc/33/18/16/1027331816.db2.gz ONNMRXGBZLUIIW-YLJYHZDGSA-N 2 0 308.469 3.656 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422833196 1027336367 /nfs/dbraw/zinc/33/63/67/1027336367.db2.gz VXNPCVSILSMKKC-VAMGGRTRSA-N 2 0 316.489 3.874 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)Oc1ccccc1F ZINC000422816840 1027337205 /nfs/dbraw/zinc/33/72/05/1027337205.db2.gz GBNOTRXSZUXSJJ-FSPWUOQZSA-N 2 0 314.404 3.718 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])ccc1OC(C)C ZINC000422814487 1027338282 /nfs/dbraw/zinc/33/82/82/1027338282.db2.gz VCSRHRJBWHYTFH-LSDHHAIUSA-N 2 0 308.466 3.651 20 0 DHADRP CC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)Oc1ccccc1F ZINC000422816839 1027338429 /nfs/dbraw/zinc/33/84/29/1027338429.db2.gz GBNOTRXSZUXSJJ-BVGQSLNGSA-N 2 0 314.404 3.718 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422853499 1027341158 /nfs/dbraw/zinc/34/11/58/1027341158.db2.gz CCJJBSJQZOTZQJ-MSOLQXFVSA-N 3 0 317.521 3.526 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422863314 1027342693 /nfs/dbraw/zinc/34/26/93/1027342693.db2.gz OOFACWVSVQUTGT-NHCUHLMSSA-N 2 0 323.484 3.761 20 0 DHADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC000422876979 1027346800 /nfs/dbraw/zinc/34/68/00/1027346800.db2.gz HCCMSFXVXJPJIJ-FKJOKYEKSA-N 2 0 313.272 3.970 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422880685 1027348096 /nfs/dbraw/zinc/34/80/96/1027348096.db2.gz XMMHEFNRBQPBLY-HRCADAONSA-N 2 0 324.415 3.607 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422879871 1027348329 /nfs/dbraw/zinc/34/83/29/1027348329.db2.gz MYTBSLPHEOIMTJ-HOTGVXAUSA-N 2 0 306.494 3.714 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000422885215 1027349998 /nfs/dbraw/zinc/34/99/98/1027349998.db2.gz GKUKEVDDBKAQKB-ICSRJNTNSA-N 2 0 305.425 3.835 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422889039 1027350685 /nfs/dbraw/zinc/35/06/85/1027350685.db2.gz OQSZIWRBPJHERI-IINYFYTJSA-N 2 0 301.261 3.512 20 0 DHADRP CCOCCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCCC1 ZINC000422887136 1027351483 /nfs/dbraw/zinc/35/14/83/1027351483.db2.gz KCSZLINVRQMCNN-HKUYNNGSSA-N 2 0 318.505 3.522 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000422885214 1027352021 /nfs/dbraw/zinc/35/20/21/1027352021.db2.gz GKUKEVDDBKAQKB-AZUAARDMSA-N 2 0 305.425 3.835 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422873466 1027355366 /nfs/dbraw/zinc/35/53/66/1027355366.db2.gz ALJCAQSYPIBLHK-ROUUACIJSA-N 3 0 317.521 3.526 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924958674 1027358798 /nfs/dbraw/zinc/35/87/98/1027358798.db2.gz FZEQKFOHIISZAE-MJGOQNOKSA-N 2 0 317.521 3.519 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422916156 1027359004 /nfs/dbraw/zinc/35/90/04/1027359004.db2.gz CMLCBWBZXPMCGB-HHXXYDBFSA-N 2 0 301.478 3.600 20 0 DHADRP Clc1ccc(C[C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422936727 1027365013 /nfs/dbraw/zinc/36/50/13/1027365013.db2.gz FXBMKSMYIYYACF-LJQANCHMSA-N 2 0 314.860 3.965 20 0 DHADRP [NH3+]C1CCC([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000422932119 1027365088 /nfs/dbraw/zinc/36/50/88/1027365088.db2.gz DPHNJKOMLQNFPR-UHFFFAOYSA-N 2 0 316.395 3.914 20 0 DHADRP c1ccc(-c2ccccc2OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422935605 1027365673 /nfs/dbraw/zinc/36/56/73/1027365673.db2.gz LDCULBHGRLPOOV-DFNIBXOVSA-N 2 0 322.452 3.605 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422932619 1027366968 /nfs/dbraw/zinc/36/69/68/1027366968.db2.gz GCDUBCWQMIGNOH-FXAWDEMLSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000422939779 1027369126 /nfs/dbraw/zinc/36/91/26/1027369126.db2.gz RSBSATYUEIMNHG-XHDPSFHLSA-N 2 0 311.267 3.544 20 0 DHADRP CCOc1ccc([C@@H]([NH2+][C@@H](C)CCC[NH3+])c2ccccc2)cc1 ZINC000422940137 1027369737 /nfs/dbraw/zinc/36/97/37/1027369737.db2.gz ISWOURBLMXNOLH-JXFKEZNVSA-N 2 0 312.457 3.892 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@@H](C)CCC[NH3+])c2ccccc2)cc1 ZINC000422940139 1027369994 /nfs/dbraw/zinc/36/99/94/1027369994.db2.gz ISWOURBLMXNOLH-OXJNMPFZSA-N 2 0 312.457 3.892 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422943388 1027370010 /nfs/dbraw/zinc/37/00/10/1027370010.db2.gz KFDSVMQXAUDSBZ-PMPSAXMXSA-N 2 0 322.518 3.544 20 0 DHADRP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422946822 1027374545 /nfs/dbraw/zinc/37/45/45/1027374545.db2.gz PIIXESSOHBWYSN-GVDBMIGSSA-N 2 0 324.415 3.688 20 0 DHADRP c1ccc(OCc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000422945869 1027375213 /nfs/dbraw/zinc/37/52/13/1027375213.db2.gz VMZKXFCKCFEEGV-YOFSQIOKSA-N 2 0 322.452 3.638 20 0 DHADRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc1OC1CCCC1 ZINC000422944525 1027376619 /nfs/dbraw/zinc/37/66/19/1027376619.db2.gz SGXDBVGQBVUQKZ-HNNXBMFYSA-N 2 0 320.477 3.624 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422946432 1027376966 /nfs/dbraw/zinc/37/69/66/1027376966.db2.gz WSVZTBLZBPVSHM-UWJYYQICSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc2ccccc2c1 ZINC000422948512 1027378170 /nfs/dbraw/zinc/37/81/70/1027378170.db2.gz SCGNHGFHXBXMEI-JTSKRJEESA-N 2 0 318.464 3.930 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422951059 1027378345 /nfs/dbraw/zinc/37/83/45/1027378345.db2.gz XGUYMHIEBLNCNM-KFWWJZLASA-N 2 0 308.466 3.651 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2c1cccc2Br ZINC000422955626 1027378406 /nfs/dbraw/zinc/37/84/06/1027378406.db2.gz JUVUJIDDNRLWHK-NHYWBVRUSA-N 2 0 311.267 3.544 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170684303 1027379107 /nfs/dbraw/zinc/37/91/07/1027379107.db2.gz CAMZRXBJQQEMDC-WMLDXEAASA-N 2 0 322.443 3.663 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc[nH+]c(C2CC2)c1 ZINC001170685863 1027381689 /nfs/dbraw/zinc/38/16/89/1027381689.db2.gz IBZOPJRWWYJKKD-ZDUSSCGKSA-N 2 0 304.397 3.831 20 0 DHADRP CCCOc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422993132 1027383235 /nfs/dbraw/zinc/38/32/35/1027383235.db2.gz SLBLDPCSKOMZIN-AQNXPRMDSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422999198 1027387277 /nfs/dbraw/zinc/38/72/77/1027387277.db2.gz DWUQUVSGAFNNCZ-LSDHHAIUSA-N 2 0 316.420 3.876 20 0 DHADRP CC(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423002932 1027387883 /nfs/dbraw/zinc/38/78/83/1027387883.db2.gz ZZKNNOLQAGLIJU-HNNXBMFYSA-N 2 0 300.368 3.744 20 0 DHADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423006497 1027390133 /nfs/dbraw/zinc/39/01/33/1027390133.db2.gz VMUQPJRBQIZLNO-RBUKOAKNSA-N 2 0 310.441 3.707 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423008612 1027390252 /nfs/dbraw/zinc/39/02/52/1027390252.db2.gz ARELBFXBFWVDOI-HOTGVXAUSA-N 2 0 310.869 3.531 20 0 DHADRP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(Cl)c1F ZINC000423048022 1027393113 /nfs/dbraw/zinc/39/31/13/1027393113.db2.gz IAZUUDGVYONRKL-UHFFFAOYSA-N 2 0 312.860 3.864 20 0 DHADRP COc1ccc(C2(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000423033853 1027396250 /nfs/dbraw/zinc/39/62/50/1027396250.db2.gz OYALGURPEHVHIY-VQTJNVASSA-N 2 0 322.452 3.851 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])CCC2 ZINC000423027645 1027396621 /nfs/dbraw/zinc/39/66/21/1027396621.db2.gz RSDDOMPFJYQLNH-PPRPKMEESA-N 2 0 316.489 3.529 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])CCC2 ZINC000423027648 1027396654 /nfs/dbraw/zinc/39/66/54/1027396654.db2.gz RSDDOMPFJYQLNH-VVHHDAOASA-N 2 0 316.489 3.529 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccnc(Cl)c1 ZINC000157933894 1027397358 /nfs/dbraw/zinc/39/73/58/1027397358.db2.gz XLDXKOVEKFXUDS-GJZGRUSLSA-N 2 0 309.885 3.898 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423043367 1027401259 /nfs/dbraw/zinc/40/12/59/1027401259.db2.gz ORLCKVXUOOWTPN-VNHYZAJKSA-N 2 0 314.395 3.614 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(F)cc(Br)c1 ZINC000423063594 1027404103 /nfs/dbraw/zinc/40/41/03/1027404103.db2.gz PIBYLWPEQHSVJG-IINYFYTJSA-N 2 0 317.246 3.756 20 0 DHADRP COCCCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423082831 1027411687 /nfs/dbraw/zinc/41/16/87/1027411687.db2.gz DVEJZDYTAQCCGA-KVZIAJEVSA-N 2 0 304.478 3.652 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423095556 1027414963 /nfs/dbraw/zinc/41/49/63/1027414963.db2.gz FKPZFLMZYXTXOC-LFSVMHDDSA-N 2 0 301.261 3.955 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423094740 1027415400 /nfs/dbraw/zinc/41/54/00/1027415400.db2.gz KQWUFLWEFKWGKT-NHQOTNMQSA-N 2 0 316.464 3.972 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c2ccccc21 ZINC000423093795 1027415546 /nfs/dbraw/zinc/41/55/46/1027415546.db2.gz IMCRUZBQVSQJPD-GWMUQRIZSA-N 2 0 314.379 3.945 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423075731 1027417769 /nfs/dbraw/zinc/41/77/69/1027417769.db2.gz XRVPDBHGRBIYMV-HSALFYBXSA-N 2 0 316.489 3.794 20 0 DHADRP CC[C@@H]([NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423118175 1027418758 /nfs/dbraw/zinc/41/87/58/1027418758.db2.gz ZDSBOSBINOIGPC-AHCXZYCDSA-N 2 0 320.452 3.591 20 0 DHADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423127685 1027421557 /nfs/dbraw/zinc/42/15/57/1027421557.db2.gz JXBDQAFRSGBGPF-CIWUYKSXSA-N 2 0 314.473 3.801 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423113674 1027429534 /nfs/dbraw/zinc/42/95/34/1027429534.db2.gz KTQVOXXLOONZCS-XUWVNRHRSA-N 2 0 300.437 3.712 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000423149187 1027431358 /nfs/dbraw/zinc/43/13/58/1027431358.db2.gz XKZFXAUQBAXSKC-PMPSAXMXSA-N 2 0 304.503 3.776 20 0 DHADRP FC(F)(F)[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423138204 1027433514 /nfs/dbraw/zinc/43/35/14/1027433514.db2.gz SLKZHHLXRRFNJO-QXULXFAOSA-N 2 0 312.379 3.595 20 0 DHADRP [NH3+]C1CCC([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000423138085 1027435456 /nfs/dbraw/zinc/43/54/56/1027435456.db2.gz RZQOQMXZHLBBKB-NRXISQOPSA-N 2 0 300.368 3.582 20 0 DHADRP Clc1ccc([C@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423174402 1027443179 /nfs/dbraw/zinc/44/31/79/1027443179.db2.gz CASSUBINKNNABQ-FRYFRDGCSA-N 2 0 304.865 3.849 20 0 DHADRP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCCC2 ZINC000423190133 1027449410 /nfs/dbraw/zinc/44/94/10/1027449410.db2.gz RUERSBWSGYBVTM-INIZCTEOSA-N 2 0 323.278 3.558 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423196134 1027451453 /nfs/dbraw/zinc/45/14/53/1027451453.db2.gz ZAEYMTXBDNWXDX-QEEHTWDDSA-N 2 0 316.489 3.699 20 0 DHADRP C[NH2+]CCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423203225 1027456713 /nfs/dbraw/zinc/45/67/13/1027456713.db2.gz RYTAFHGMDSOZNL-LLVKDONJSA-N 2 0 307.438 3.518 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423240594 1027458617 /nfs/dbraw/zinc/45/86/17/1027458617.db2.gz CKIRBSFZNZFRQS-IUODEOHRSA-N 2 0 316.367 3.626 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423222489 1027461478 /nfs/dbraw/zinc/46/14/78/1027461478.db2.gz BGRUBAQBVIBCTF-STQMWFEESA-N 2 0 303.475 3.815 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCC([NH3+])CC1)CCCO2 ZINC000423218044 1027461854 /nfs/dbraw/zinc/46/18/54/1027461854.db2.gz REAVCPNWPOPUJV-SEEARECTSA-N 2 0 308.853 3.722 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220643 1027462806 /nfs/dbraw/zinc/46/28/06/1027462806.db2.gz YPWRRCOZDJUBJJ-CRAIPNDOSA-N 2 0 302.462 3.613 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@@H]1CCC[NH2+]1 ZINC000423242273 1027472322 /nfs/dbraw/zinc/47/23/22/1027472322.db2.gz VJZNAOYFZJLFFA-DOMZBBRYSA-N 2 0 301.459 3.521 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000423254806 1027479864 /nfs/dbraw/zinc/47/98/64/1027479864.db2.gz ZODMRHDOLIRDOS-KYJSFNMBSA-N 2 0 306.881 3.955 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423282805 1027482109 /nfs/dbraw/zinc/48/21/09/1027482109.db2.gz WHZJGBSEXXDQIJ-OAGGEKHMSA-N 2 0 314.395 3.914 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)cc1 ZINC000423289421 1027483365 /nfs/dbraw/zinc/48/33/65/1027483365.db2.gz AVTGOHNEOIKMFH-GJZGRUSLSA-N 2 0 312.461 3.869 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000423293406 1027485636 /nfs/dbraw/zinc/48/56/36/1027485636.db2.gz RHBJUOLPQSWKQR-DIFFPNOSSA-N 2 0 302.368 3.762 20 0 DHADRP Cc1c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cnn1C(C)(C)C ZINC000423291920 1027486836 /nfs/dbraw/zinc/48/68/36/1027486836.db2.gz KOMXEMSRORBBNI-KBPBESRZSA-N 2 0 314.477 3.817 20 0 DHADRP COc1cc2ccccc2cc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000575478159 1027487092 /nfs/dbraw/zinc/48/70/92/1027487092.db2.gz QJJYYXXHNNBMLX-INIZCTEOSA-N 2 0 312.457 3.668 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423267872 1027489733 /nfs/dbraw/zinc/48/97/33/1027489733.db2.gz FMGAKHZPAGQLFY-KBPBESRZSA-N 2 0 317.502 3.548 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(OC)c1 ZINC000423293222 1027490564 /nfs/dbraw/zinc/49/05/64/1027490564.db2.gz QIGOZQKVPIIDND-UONOGXRCSA-N 2 0 314.429 3.574 20 0 DHADRP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423316358 1027499044 /nfs/dbraw/zinc/49/90/44/1027499044.db2.gz ANGBBMAEYHBJDP-RHSMWYFYSA-N 2 0 312.404 3.718 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294583 1027500270 /nfs/dbraw/zinc/50/02/70/1027500270.db2.gz UXEYCPMGOQPPFY-JLTOFOAXSA-N 2 0 310.441 3.882 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423318512 1027501348 /nfs/dbraw/zinc/50/13/48/1027501348.db2.gz BVXWWGGXXAABRQ-AWEZNQCLSA-N 2 0 301.459 3.516 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423335801 1027514241 /nfs/dbraw/zinc/51/42/41/1027514241.db2.gz UFSRUJLINCJJAR-QGZVFWFLSA-N 2 0 316.489 3.824 20 0 DHADRP Fc1ccc(C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423350858 1027516635 /nfs/dbraw/zinc/51/66/35/1027516635.db2.gz GWATZLIOWFSDFD-HXUWFJFHSA-N 2 0 310.416 3.619 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423350190 1027517417 /nfs/dbraw/zinc/51/74/17/1027517417.db2.gz YSJBGBUOTJMJBV-SFHVURJKSA-N 2 0 312.482 3.850 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423352319 1027517648 /nfs/dbraw/zinc/51/76/48/1027517648.db2.gz ARCIETPPYNLPJF-CZUORRHYSA-N 2 0 314.395 3.758 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423349119 1027517920 /nfs/dbraw/zinc/51/79/20/1027517920.db2.gz VEAJFJCZQCMWFZ-ICSRJNTNSA-N 2 0 311.473 3.833 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423364739 1027522781 /nfs/dbraw/zinc/52/27/81/1027522781.db2.gz BCDJQZMBNZIITP-HEHGZKQESA-N 2 0 315.486 3.910 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000423382856 1027526801 /nfs/dbraw/zinc/52/68/01/1027526801.db2.gz OSZCVBNHOIJISC-UWIFEVILSA-N 2 0 306.881 3.781 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)sc1Br ZINC000423379900 1027527903 /nfs/dbraw/zinc/52/79/03/1027527903.db2.gz MGODIIYNZKXCIK-GARJFASQSA-N 2 0 317.296 3.610 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423384680 1027528027 /nfs/dbraw/zinc/52/80/27/1027528027.db2.gz GGHDSJCYAULUDI-MAZHCROVSA-N 2 0 314.395 3.990 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423390616 1027530031 /nfs/dbraw/zinc/53/00/31/1027530031.db2.gz OZXCMBBFXDTAAK-RNODOKPDSA-N 2 0 310.416 3.842 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1Cl ZINC000423389318 1027530096 /nfs/dbraw/zinc/53/00/96/1027530096.db2.gz JHZJXUZPIGBKDU-VKJFTORMSA-N 2 0 324.896 3.784 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423391807 1027530180 /nfs/dbraw/zinc/53/01/80/1027530180.db2.gz LBKXXJAEHVDJAN-KCMWZYNZSA-N 2 0 306.881 3.954 20 0 DHADRP CCC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OC)cc1 ZINC000423386665 1027530506 /nfs/dbraw/zinc/53/05/06/1027530506.db2.gz MHFWSIXCCLVCID-HXUWFJFHSA-N 2 0 310.441 3.929 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423390614 1027531862 /nfs/dbraw/zinc/53/18/62/1027531862.db2.gz OZXCMBBFXDTAAK-RBZFPXEDSA-N 2 0 310.416 3.842 20 0 DHADRP COCC1(C[NH2+][C@@H](C)c2cccc3ccccc32)CC[NH2+]CC1 ZINC000423398083 1027534428 /nfs/dbraw/zinc/53/44/28/1027534428.db2.gz SYROSHWKAMFBEN-INIZCTEOSA-N 2 0 312.457 3.507 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000423398745 1027534878 /nfs/dbraw/zinc/53/48/78/1027534878.db2.gz VKCGNSOXNJSGLG-YRGRVCCFSA-N 2 0 314.445 3.835 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000423425468 1027536807 /nfs/dbraw/zinc/53/68/07/1027536807.db2.gz GUEILLHRDRLXGB-ACJLOTCBSA-N 2 0 319.399 3.556 20 0 DHADRP COCC1(C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)CC[NH2+]CC1 ZINC000423402271 1027537552 /nfs/dbraw/zinc/53/75/52/1027537552.db2.gz GXTABFQMJBPHQA-KRWDZBQOSA-N 2 0 324.896 3.643 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423421484 1027537973 /nfs/dbraw/zinc/53/79/73/1027537973.db2.gz CFOBSAFBTLRMSL-FHLIZLRMSA-N 2 0 324.896 3.537 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000423405177 1027538952 /nfs/dbraw/zinc/53/89/52/1027538952.db2.gz ZPVUVMIYCDSOQB-XIRDDKMYSA-N 2 0 320.477 3.665 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccccc2)c1 ZINC000423407893 1027539575 /nfs/dbraw/zinc/53/95/75/1027539575.db2.gz WMHXTFWTKPEPKA-CZAAIQMYSA-N 2 0 324.468 3.567 20 0 DHADRP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423442368 1027543274 /nfs/dbraw/zinc/54/32/74/1027543274.db2.gz PTTQRWNWIOZRMW-XOKHGSTOSA-N 2 0 304.503 3.837 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423441932 1027544407 /nfs/dbraw/zinc/54/44/07/1027544407.db2.gz BKLRWXIHTZIREE-SOUVJXGZSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423458991 1027552919 /nfs/dbraw/zinc/55/29/19/1027552919.db2.gz QULCZSKWHIOTJG-ABAIWWIYSA-N 2 0 311.267 3.544 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000423457195 1027554041 /nfs/dbraw/zinc/55/40/41/1027554041.db2.gz HTPLVXVSGYAPNP-GUTXKFCHSA-N 2 0 312.404 3.846 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000423462350 1027555785 /nfs/dbraw/zinc/55/57/85/1027555785.db2.gz DROCDGKZAIWDLM-JLJPHGGASA-N 2 0 318.461 3.931 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000423461872 1027556371 /nfs/dbraw/zinc/55/63/71/1027556371.db2.gz OMQGIHQZGVKONK-HUBLWGQQSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CCS2 ZINC000423470742 1027558661 /nfs/dbraw/zinc/55/86/61/1027558661.db2.gz LZIFPZHOKFLRCY-HLLBOEOZSA-N 2 0 304.503 3.947 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000423469637 1027559158 /nfs/dbraw/zinc/55/91/58/1027559158.db2.gz CWADBTLWAXZUTP-JXFKEZNVSA-N 2 0 309.457 3.931 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000423479922 1027561055 /nfs/dbraw/zinc/56/10/55/1027561055.db2.gz VPLWALGWDARGMX-OZVIIMIRSA-N 2 0 323.278 3.544 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423477408 1027562156 /nfs/dbraw/zinc/56/21/56/1027562156.db2.gz TZFKCOQASUXNAC-UHXUCMFUSA-N 2 0 300.368 3.667 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423488771 1027570371 /nfs/dbraw/zinc/57/03/71/1027570371.db2.gz VRKSDGVSLGVUJC-UONOGXRCSA-N 2 0 312.404 3.779 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]CCC[C@@H]3CCC[NH2+]3)oc21 ZINC000423487583 1027570509 /nfs/dbraw/zinc/57/05/09/1027570509.db2.gz UKTZDHOUWHXVRI-DZGCQCFKSA-N 2 0 302.418 3.624 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000423491850 1027570629 /nfs/dbraw/zinc/57/06/29/1027570629.db2.gz KQZJFJVYIDZXNP-OSAQELSMSA-N 2 0 310.894 3.984 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000423489658 1027572120 /nfs/dbraw/zinc/57/21/20/1027572120.db2.gz WSDCSTUJDGGLCP-KRWDZBQOSA-N 3 0 323.569 3.787 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423492484 1027573520 /nfs/dbraw/zinc/57/35/20/1027573520.db2.gz NFTSEXGMPIXVDT-SFGAXHGTSA-N 2 0 316.489 3.680 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000423495174 1027574759 /nfs/dbraw/zinc/57/47/59/1027574759.db2.gz FAGPRWBIHFSZMZ-HFBAOOFYSA-N 2 0 312.379 3.874 20 0 DHADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423518996 1027576369 /nfs/dbraw/zinc/57/63/69/1027576369.db2.gz CXHNALMXNKNPJB-QWHCGFSZSA-N 2 0 303.475 3.520 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423514986 1027578285 /nfs/dbraw/zinc/57/82/85/1027578285.db2.gz SMEQAPRDLAIPAS-BZUAXINKSA-N 2 0 313.489 3.941 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423543858 1027582813 /nfs/dbraw/zinc/58/28/13/1027582813.db2.gz HYVKQPCHPOKTAG-DEXNDLTESA-N 2 0 309.457 3.523 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423539735 1027583401 /nfs/dbraw/zinc/58/34/01/1027583401.db2.gz PFABIORGBPOVOQ-AWEZNQCLSA-N 2 0 313.470 3.771 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000423540579 1027584191 /nfs/dbraw/zinc/58/41/91/1027584191.db2.gz JXRPVQVAHUCPBC-AFIMGQEJSA-N 2 0 308.416 3.640 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423553166 1027586745 /nfs/dbraw/zinc/58/67/45/1027586745.db2.gz VSYRENYNHWVMJZ-VUHPKUFZSA-N 2 0 300.490 3.721 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423548928 1027587260 /nfs/dbraw/zinc/58/72/60/1027587260.db2.gz RLLHJGNOJJTIHW-NTDBWNAOSA-N 2 0 318.530 3.781 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798956756 1027587685 /nfs/dbraw/zinc/58/76/85/1027587685.db2.gz NEJXSJHGWHOEPV-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP CCc1ccc([C@@H]2CCC[N@H+](CCCc3cncn3C)C2)cc1 ZINC000576289416 1027598193 /nfs/dbraw/zinc/59/81/93/1027598193.db2.gz DBXSNHBGGLVDNB-LJQANCHMSA-N 2 0 311.473 3.795 20 0 DHADRP Cc1cnccc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000576462621 1027618881 /nfs/dbraw/zinc/61/88/81/1027618881.db2.gz LRHFFSHUEOGJLF-ICSRJNTNSA-N 2 0 323.484 3.780 20 0 DHADRP Cc1cccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000576540520 1027628696 /nfs/dbraw/zinc/62/86/96/1027628696.db2.gz LHRMDPQICGLGNJ-UHFFFAOYSA-N 2 0 323.484 3.923 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000576755028 1027655513 /nfs/dbraw/zinc/65/55/13/1027655513.db2.gz BOCOMWKMOJAYAB-KELXMEGNSA-N 2 0 324.468 3.994 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363546416 1027670558 /nfs/dbraw/zinc/67/05/58/1027670558.db2.gz RLXJBXROJIXVMS-AQNXPRMDSA-N 2 0 300.490 3.860 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH2+]CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001170714991 1027777651 /nfs/dbraw/zinc/77/76/51/1027777651.db2.gz CUYCUOSQVZKUAE-ACDBMABISA-N 2 0 312.501 3.923 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170716896 1027797363 /nfs/dbraw/zinc/79/73/63/1027797363.db2.gz ZQBMUQUTJTZAIW-HAGHYFMRSA-N 2 0 312.501 3.923 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000577513439 1027801638 /nfs/dbraw/zinc/80/16/38/1027801638.db2.gz NWHCGTTYZHJNLF-BBRMVZONSA-N 2 0 324.415 3.671 20 0 DHADRP C[C@H]([NH2+]CCc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000562960272 1027826868 /nfs/dbraw/zinc/82/68/68/1027826868.db2.gz NLKYOQLZZPSFLF-AAEUAGOBSA-N 2 0 301.261 3.514 20 0 DHADRP CC(C)C(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000600801805 1027839529 /nfs/dbraw/zinc/83/95/29/1027839529.db2.gz BHYZYFYBBVJWJO-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1F ZINC000577634601 1027856680 /nfs/dbraw/zinc/85/66/80/1027856680.db2.gz XFBXJUZNOMWJIZ-LBPRGKRZSA-N 2 0 304.434 3.857 20 0 DHADRP Fc1cc2c(cc1Cl)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000527850920 1027931304 /nfs/dbraw/zinc/93/13/04/1027931304.db2.gz OWGRMBNLOKYLFB-GTNSWQLSSA-N 2 0 308.828 3.540 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC1 ZINC000527948710 1027982072 /nfs/dbraw/zinc/98/20/72/1027982072.db2.gz WZCVPQNQCUGJBJ-FGTMMUONSA-N 2 0 318.892 3.831 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cc2)cc1 ZINC000563351280 1028008718 /nfs/dbraw/zinc/00/87/18/1028008718.db2.gz YCQJDWUEGBWWIX-XLIONFOSSA-N 2 0 324.468 3.886 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000528000102 1028025892 /nfs/dbraw/zinc/02/58/92/1028025892.db2.gz FFOWHUHIKNTIMS-FACIQBDNSA-N 2 0 313.445 3.643 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000563426063 1028043521 /nfs/dbraw/zinc/04/35/21/1028043521.db2.gz SBSQJNZIVRPRRH-HHXXYDBFSA-N 2 0 301.478 3.743 20 0 DHADRP C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578109294 1028053356 /nfs/dbraw/zinc/05/33/56/1028053356.db2.gz DSBWKDFISCUPMP-OXJNMPFZSA-N 2 0 312.501 3.644 20 0 DHADRP Cc1cnc([C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)s1 ZINC000366179592 1028057367 /nfs/dbraw/zinc/05/73/67/1028057367.db2.gz QLYSRUBXZCOTCA-JKSUJKDBSA-N 2 0 307.507 3.505 20 0 DHADRP COCCC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1 ZINC000578132817 1028064327 /nfs/dbraw/zinc/06/43/27/1028064327.db2.gz YYUGHIDZBPEOQF-LJQANCHMSA-N 2 0 316.420 3.542 20 0 DHADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)CCC2 ZINC000366492122 1028088351 /nfs/dbraw/zinc/08/83/51/1028088351.db2.gz UKIHJIYIKVJTML-QZTJIDSGSA-N 2 0 310.445 3.595 20 0 DHADRP COCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000367035717 1028123254 /nfs/dbraw/zinc/12/32/54/1028123254.db2.gz KKUNEUBHWUZYKL-QYZOEREBSA-N 2 0 320.452 3.510 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367044766 1028127760 /nfs/dbraw/zinc/12/77/60/1028127760.db2.gz XTRQJWRAPGLIIE-QFBILLFUSA-N 2 0 301.478 3.570 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)[C@H]1C[C@@H]1c1cccs1 ZINC000367436668 1028184631 /nfs/dbraw/zinc/18/46/31/1028184631.db2.gz GYYLEFMWIWFPLP-BARDWOONSA-N 2 0 301.459 3.604 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C[C@@H]21 ZINC001170765881 1028219156 /nfs/dbraw/zinc/21/91/56/1028219156.db2.gz YDSAIVNSKXQHGU-HGJUEJDCSA-N 2 0 324.512 3.875 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CCN1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367781717 1028237574 /nfs/dbraw/zinc/23/75/74/1028237574.db2.gz CIJPNUQDYBRIAG-KRWDZBQOSA-N 2 0 324.472 3.526 20 0 DHADRP COc1cccc2c(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cccc12 ZINC000449013742 1028245350 /nfs/dbraw/zinc/24/53/50/1028245350.db2.gz MPJNBMRDVOLPCN-MRXNPFEDSA-N 2 0 312.457 3.622 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000578882732 1028263566 /nfs/dbraw/zinc/26/35/66/1028263566.db2.gz PLUWXFURTXKPRW-HZPDHXFCSA-N 2 0 316.470 3.783 20 0 DHADRP CCC(CC)[C@H](C[NH2+]CCCc1cnccc1C)[NH+]1CCCC1 ZINC000578975021 1028290252 /nfs/dbraw/zinc/29/02/52/1028290252.db2.gz IGQZLUBBVZMAJM-FQEVSTJZSA-N 2 0 317.521 3.813 20 0 DHADRP C[N@H+](C[C@@H]1CC12CC[NH+]([C@H]1C[C@H]1c1ccccc1)CC2)C1CC1 ZINC000368262502 1028326232 /nfs/dbraw/zinc/32/62/32/1028326232.db2.gz YCGUQKNLNQBQGQ-IHPCNDPISA-N 2 0 310.485 3.739 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc2cccnc2o1 ZINC000449081174 1028343190 /nfs/dbraw/zinc/34/31/90/1028343190.db2.gz CIDXOIZJHBNSOK-OAHLLOKOSA-N 2 0 301.434 3.572 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449105232 1028354479 /nfs/dbraw/zinc/35/44/79/1028354479.db2.gz HWERHXYSNIRENW-CVEARBPZSA-N 2 0 300.446 3.685 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCC(COC)CC2)c1 ZINC000449092226 1028366795 /nfs/dbraw/zinc/36/67/95/1028366795.db2.gz SNRLFEVEGGYMNX-UHFFFAOYSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449096536 1028368288 /nfs/dbraw/zinc/36/82/88/1028368288.db2.gz INHVXEBEKFQPBL-HNNXBMFYSA-N 2 0 312.457 3.970 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000579287806 1028371800 /nfs/dbraw/zinc/37/18/00/1028371800.db2.gz UYTQVNPDDJZWJO-CQSZACIVSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)C1CCOCC1 ZINC000368562023 1028372256 /nfs/dbraw/zinc/37/22/56/1028372256.db2.gz COMPYKUUGMAJFY-QILLFSRXSA-N 2 0 322.518 3.536 20 0 DHADRP CC[C@@H](C)[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449139994 1028393808 /nfs/dbraw/zinc/39/38/08/1028393808.db2.gz BPFJVUWCNSERGG-NVXWUHKLSA-N 2 0 312.542 3.662 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOCC2CC2)CC1 ZINC000449150012 1028403400 /nfs/dbraw/zinc/40/34/00/1028403400.db2.gz YMANRYJXBXIFLJ-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449159788 1028420212 /nfs/dbraw/zinc/42/02/12/1028420212.db2.gz ISXQWMQWYACCKO-PKOBYXMFSA-N 2 0 320.521 3.580 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449159707 1028421741 /nfs/dbraw/zinc/42/17/41/1028421741.db2.gz IJSJXLQDWXUEMN-HFTRVMKXSA-N 2 0 318.486 3.945 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000449163289 1028423725 /nfs/dbraw/zinc/42/37/25/1028423725.db2.gz LRDSXYRTFSVLCO-AEFFLSMTSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@@H](O)C[C@@H](C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449165916 1028424483 /nfs/dbraw/zinc/42/44/83/1028424483.db2.gz YCHXEIAOPBELCM-HZPDHXFCSA-N 2 0 312.542 3.662 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000449189883 1028426604 /nfs/dbraw/zinc/42/66/04/1028426604.db2.gz VKHGIBYFUYARCB-LPHOPBHVSA-N 2 0 318.530 3.567 20 0 DHADRP COc1cc2ccccc2cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000449179617 1028432119 /nfs/dbraw/zinc/43/21/19/1028432119.db2.gz WTFRROLGUXQLGP-IHWFROFDSA-N 2 0 324.468 3.953 20 0 DHADRP C(CC[NH+]1CCC([NH2+]C2CCCC2)CC1)CC1CCOCC1 ZINC000369076660 1028441489 /nfs/dbraw/zinc/44/14/89/1028441489.db2.gz KTGSWZIDSUEQIY-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000449214315 1028447863 /nfs/dbraw/zinc/44/78/63/1028447863.db2.gz YECJZXXQCDWHDE-MSOLQXFVSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000449232119 1028472403 /nfs/dbraw/zinc/47/24/03/1028472403.db2.gz HBCLPBUFQWNLLN-VQIMIIECSA-N 2 0 318.505 3.558 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000564816896 1028506873 /nfs/dbraw/zinc/50/68/73/1028506873.db2.gz VGPYVJPJFWJRLF-IBGZPJMESA-N 2 0 316.489 3.839 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000564822867 1028506982 /nfs/dbraw/zinc/50/69/82/1028506982.db2.gz OLCDAWFANPZRAA-LBPRGKRZSA-N 2 0 321.465 3.908 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000449327181 1028535707 /nfs/dbraw/zinc/53/57/07/1028535707.db2.gz APJCAMTUKGFMHF-KRWDZBQOSA-N 2 0 318.480 3.954 20 0 DHADRP COc1cccc2c(C[N@H+](C)[C@H]3CCN(C)C[C@H]3C)cccc12 ZINC000449328087 1028537069 /nfs/dbraw/zinc/53/70/69/1028537069.db2.gz DSVGHMHCIIVEND-BEFAXECRSA-N 2 0 312.457 3.620 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000565227198 1028561575 /nfs/dbraw/zinc/56/15/75/1028561575.db2.gz TVKILVFKMXSXDK-DTZQCDIJSA-N 2 0 312.379 3.811 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000449373370 1028582978 /nfs/dbraw/zinc/58/29/78/1028582978.db2.gz QOWMTCUNGDCARG-CQSZACIVSA-N 2 0 324.403 3.874 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449353957 1028588156 /nfs/dbraw/zinc/58/81/56/1028588156.db2.gz IQLHBMJCFPKRRZ-RCCFBDPRSA-N 2 0 322.443 3.922 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC[C@H](C)F)ccc1OC ZINC000815645494 1028588927 /nfs/dbraw/zinc/58/89/27/1028588927.db2.gz HNHMWDWZKARDRS-LSDHHAIUSA-N 2 0 310.457 3.936 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000449360246 1028592946 /nfs/dbraw/zinc/59/29/46/1028592946.db2.gz HSZZOXAXHJWODS-CQSZACIVSA-N 2 0 304.503 3.728 20 0 DHADRP CC(C)c1nccn1[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000370494811 1028608570 /nfs/dbraw/zinc/60/85/70/1028608570.db2.gz KSPZZNRJZHJLIF-QZTJIDSGSA-N 2 0 318.509 3.518 20 0 DHADRP Cc1ccc(NC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000370505854 1028608752 /nfs/dbraw/zinc/60/87/52/1028608752.db2.gz ZNAANJSHEIYAHH-FQEVSTJZSA-N 2 0 315.505 3.746 20 0 DHADRP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCOCC1 ZINC001170801605 1028620659 /nfs/dbraw/zinc/62/06/59/1028620659.db2.gz YWHBRNCUHYMFJJ-UFYCRDLUSA-N 2 0 316.489 3.636 20 0 DHADRP CC(C)CC[C@@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370663024 1028631435 /nfs/dbraw/zinc/63/14/35/1028631435.db2.gz QVPWOTYYLCTWQA-GOSISDBHSA-N 2 0 323.569 3.597 20 0 DHADRP CC[C@@H]1CCC[C@H]1C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000449432085 1028638818 /nfs/dbraw/zinc/63/88/18/1028638818.db2.gz FQUFBZMGOHNMLR-CABCVRRESA-N 2 0 321.534 3.826 20 0 DHADRP Fc1ccc(CC[NH2+]C2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000565924988 1028654015 /nfs/dbraw/zinc/65/40/15/1028654015.db2.gz TYURAOLXSNGPDE-UHFFFAOYSA-N 2 0 310.844 3.628 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000566062521 1028672780 /nfs/dbraw/zinc/67/27/80/1028672780.db2.gz ZRNFXNZLFIIEHA-ZDUSSCGKSA-N 2 0 317.296 3.551 20 0 DHADRP CO[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000449491883 1028703177 /nfs/dbraw/zinc/70/31/77/1028703177.db2.gz AYYQXDRJNSOUNE-MJGOQNOKSA-N 2 0 318.505 3.501 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560281 1028801416 /nfs/dbraw/zinc/80/14/16/1028801416.db2.gz IVNRKZQHYYRXNC-RLAWYHOSSA-N 2 0 312.910 3.937 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000567045725 1028825766 /nfs/dbraw/zinc/82/57/66/1028825766.db2.gz WADRTKFSNRPPAC-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP CN(CCC[NH+](C)C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000567200816 1028854672 /nfs/dbraw/zinc/85/46/72/1028854672.db2.gz XZOCSDFJVTZYIT-UHFFFAOYSA-N 2 0 308.372 3.608 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000250148974 1028870464 /nfs/dbraw/zinc/87/04/64/1028870464.db2.gz VAYSPZFEVCMDST-DOMZBBRYSA-N 2 0 310.894 3.808 20 0 DHADRP CN(C/C=C\c1ccc(F)c(F)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000567520231 1028910411 /nfs/dbraw/zinc/91/04/11/1028910411.db2.gz GIDHHOZIOJAWIA-KJPDOMRESA-N 2 0 308.416 3.784 20 0 DHADRP COc1ccc(Oc2ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000567613344 1028927330 /nfs/dbraw/zinc/92/73/30/1028927330.db2.gz ZNTUWVPBRJUVNX-CABCVRRESA-N 2 0 314.429 3.703 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628186571 1028927454 /nfs/dbraw/zinc/92/74/54/1028927454.db2.gz ORJCFCQSAXICTP-HNNXBMFYSA-N 2 0 314.395 3.522 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000449741551 1028960220 /nfs/dbraw/zinc/96/02/20/1028960220.db2.gz KWVLFWSOWDMMCA-IEBWSBKVSA-N 2 0 322.537 3.826 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000449739632 1028961382 /nfs/dbraw/zinc/96/13/82/1028961382.db2.gz BHMPJNVZRSDPQL-PKOBYXMFSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000373162732 1028965341 /nfs/dbraw/zinc/96/53/41/1028965341.db2.gz DKIZDIBZKWAGPT-MJGOQNOKSA-N 2 0 316.489 3.617 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449760906 1028968716 /nfs/dbraw/zinc/96/87/16/1028968716.db2.gz SIVRWAMQEHOXCD-MTFMMBMASA-N 2 0 322.537 3.967 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449756590 1028979415 /nfs/dbraw/zinc/97/94/15/1028979415.db2.gz BMFGVTVYEYFVDG-VBSBHUPXSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000373384626 1029029200 /nfs/dbraw/zinc/02/92/00/1029029200.db2.gz NUYXDNJNUYHKPQ-LEAZDLGRSA-N 2 0 315.505 3.879 20 0 DHADRP Cc1sc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc1-c1ccccc1 ZINC000568248225 1029032960 /nfs/dbraw/zinc/03/29/60/1029032960.db2.gz KVTFNMHXBWQNCZ-HZPDHXFCSA-N 2 0 315.486 3.521 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000373412312 1029037758 /nfs/dbraw/zinc/03/77/58/1029037758.db2.gz KKKSJWSOTUKRHN-BRWVUGGUSA-N 2 0 306.400 3.540 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628425926 1029052219 /nfs/dbraw/zinc/05/22/19/1029052219.db2.gz ZJAFJPVCJSEUBN-OAHLLOKOSA-N 2 0 314.395 3.569 20 0 DHADRP NC[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)C1CCCCC1 ZINC000568605128 1029100694 /nfs/dbraw/zinc/10/06/94/1029100694.db2.gz VQYXXNGOWUSTPI-HXUWFJFHSA-N 2 0 309.457 3.746 20 0 DHADRP Fc1ccc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC000373734003 1029121375 /nfs/dbraw/zinc/12/13/75/1029121375.db2.gz PJEHYOIFPHCKNL-UHFFFAOYSA-N 2 0 308.416 3.504 20 0 DHADRP C[C@H]1C[N@H+](CCC[NH2+][C@H](CC2CC2)c2ccccc2)CCCO1 ZINC000568947864 1029149078 /nfs/dbraw/zinc/14/90/78/1029149078.db2.gz DLNFPOKLMNFOFO-FXAWDEMLSA-N 2 0 316.489 3.618 20 0 DHADRP CC(C)[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCOC1 ZINC000411740547 1029198204 /nfs/dbraw/zinc/19/82/04/1029198204.db2.gz CFQQTZVGEWAPNR-HXUWFJFHSA-N 2 0 316.489 3.672 20 0 DHADRP COC[C@@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411774608 1029207792 /nfs/dbraw/zinc/20/77/92/1029207792.db2.gz PKFYKXTZWJWMCZ-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccc(F)c(F)c2)C[C@H]1C ZINC000569291096 1029214398 /nfs/dbraw/zinc/21/43/98/1029214398.db2.gz SEUNQLCFCZPZNK-CKAOXQASSA-N 2 0 308.416 3.783 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000120424364 1029234322 /nfs/dbraw/zinc/23/43/22/1029234322.db2.gz FQKBFCXNOBFMQG-CRAIPNDOSA-N 2 0 322.518 3.563 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(n1)CCC2 ZINC000569684741 1029250347 /nfs/dbraw/zinc/25/03/47/1029250347.db2.gz JBSAYOCWRWUYCT-UHFFFAOYSA-N 2 0 323.484 3.654 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000817909030 1029272528 /nfs/dbraw/zinc/27/25/28/1029272528.db2.gz WMEKNAIRFSDVKZ-OLZOCXBDSA-N 2 0 317.864 3.784 20 0 DHADRP C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC[NH+]1CCCC1 ZINC000817913538 1029275739 /nfs/dbraw/zinc/27/57/39/1029275739.db2.gz IKTORMUQJOETIY-XUVXKRRUSA-N 3 0 321.553 3.543 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)c2ccccc21 ZINC000817922234 1029276537 /nfs/dbraw/zinc/27/65/37/1029276537.db2.gz BVTXCMDCIHFQRW-IIDVPSHRSA-N 2 0 322.452 3.551 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817911611 1029277054 /nfs/dbraw/zinc/27/70/54/1029277054.db2.gz PZRBFGPHNCTSAS-MRUHUIDDSA-N 2 0 324.468 3.816 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCCCF ZINC000569874254 1029278789 /nfs/dbraw/zinc/27/87/89/1029278789.db2.gz YEOHBZLKQKYFNV-IAGOWNOFSA-N 2 0 306.469 3.872 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000817936129 1029280050 /nfs/dbraw/zinc/28/00/50/1029280050.db2.gz GQUHKJZIZWZZQL-MCIONIFRSA-N 2 0 307.309 3.861 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817945380 1029285795 /nfs/dbraw/zinc/28/57/95/1029285795.db2.gz ANMQEECTNVHTPF-RYUDHWBXSA-N 2 0 300.418 3.652 20 0 DHADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948250 1029290547 /nfs/dbraw/zinc/29/05/47/1029290547.db2.gz HJUAGPDMKZKTAZ-HXUWFJFHSA-N 2 0 308.469 3.972 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000817948304 1029291306 /nfs/dbraw/zinc/29/13/06/1029291306.db2.gz XDLGSQXLUMQPHL-CYBMUJFWSA-N 2 0 320.383 3.640 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1C ZINC000817950522 1029291482 /nfs/dbraw/zinc/29/14/82/1029291482.db2.gz ZDJWFTADMYZNBH-MRXNPFEDSA-N 2 0 312.457 3.664 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817948754 1029292302 /nfs/dbraw/zinc/29/23/02/1029292302.db2.gz KWMZGYOIWZYBFW-MRXNPFEDSA-N 2 0 312.457 3.826 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C(C)C)CCCS2 ZINC000569957135 1029292942 /nfs/dbraw/zinc/29/29/42/1029292942.db2.gz MHFRENWBCADJNW-MRXNPFEDSA-N 2 0 308.491 3.600 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC000412029674 1029296833 /nfs/dbraw/zinc/29/68/33/1029296833.db2.gz YPRURHVAXXVDSN-QGZVFWFLSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817961791 1029299814 /nfs/dbraw/zinc/29/98/14/1029299814.db2.gz CLFDFAKEYJBGEG-HZMBPMFUSA-N 2 0 300.418 3.563 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000817965968 1029306715 /nfs/dbraw/zinc/30/67/15/1029306715.db2.gz FOTOIFWITOOTGJ-GUYCJALGSA-N 2 0 310.869 3.697 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(SC(F)F)cc1 ZINC000817975773 1029314014 /nfs/dbraw/zinc/31/40/14/1029314014.db2.gz BIZJBRMUSZYCDN-SMDDNHRTSA-N 2 0 312.429 3.794 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)nc1 ZINC000817980903 1029317723 /nfs/dbraw/zinc/31/77/23/1029317723.db2.gz FPNFOYJDUBLPKA-XJKSGUPXSA-N 2 0 303.837 3.866 20 0 DHADRP C[C@H]([NH2+]CC/C=C/c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000629514132 1029351893 /nfs/dbraw/zinc/35/18/93/1029351893.db2.gz KYIDREBZYFTDAV-JHBRGYHKSA-N 2 0 323.278 3.583 20 0 DHADRP C[C@H]([NH2+]CC/C=C\c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000629514134 1029352801 /nfs/dbraw/zinc/35/28/01/1029352801.db2.gz KYIDREBZYFTDAV-LFDNDYJPSA-N 2 0 323.278 3.583 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000629534223 1029359993 /nfs/dbraw/zinc/35/99/93/1029359993.db2.gz QKHNHNPYARJGEL-PXNSSMCTSA-N 2 0 309.457 3.507 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000629533985 1029360942 /nfs/dbraw/zinc/36/09/42/1029360942.db2.gz HBLHXOUPYLGVBX-OXJNMPFZSA-N 2 0 315.505 3.731 20 0 DHADRP Cc1ccc2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc2c1 ZINC000629544199 1029364735 /nfs/dbraw/zinc/36/47/35/1029364735.db2.gz HWBFVZPMKOKBTF-LJQANCHMSA-N 2 0 323.484 3.755 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@H]1C(F)(F)F ZINC000629563050 1029371590 /nfs/dbraw/zinc/37/15/90/1029371590.db2.gz PRBIHXCXOLZOPH-DLBZAZTESA-N 2 0 322.374 3.799 20 0 DHADRP CC[C@H]1CCC[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1 ZINC000570536724 1029381830 /nfs/dbraw/zinc/38/18/30/1029381830.db2.gz ULNRLDKRWPSNPC-HFKIYIHZSA-N 2 0 322.537 3.776 20 0 DHADRP Cc1cc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000629654259 1029406363 /nfs/dbraw/zinc/40/63/63/1029406363.db2.gz GZEJEVDIACVZEQ-OLZOCXBDSA-N 2 0 320.786 3.608 20 0 DHADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2ccccc2)cc1C(F)(F)F ZINC001170905736 1029417883 /nfs/dbraw/zinc/41/78/83/1029417883.db2.gz VLVLPZLHPMUQKL-INIZCTEOSA-N 2 0 323.362 3.808 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000529567302 1029425640 /nfs/dbraw/zinc/42/56/40/1029425640.db2.gz LSZSUTDTSDRJEP-SJCJKPOMSA-N 2 0 310.844 3.786 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccsc2C(F)(F)F)C1 ZINC000529569283 1029427312 /nfs/dbraw/zinc/42/73/12/1029427312.db2.gz NPJIKTOBBQTTQU-AAEUAGOBSA-N 2 0 318.408 3.683 20 0 DHADRP C[NH+](C)CCOc1cccc(-c2cccc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000629700776 1029430735 /nfs/dbraw/zinc/43/07/35/1029430735.db2.gz NLNFRIASQOFYGJ-FQEVSTJZSA-N 2 0 310.441 3.719 20 0 DHADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000819050636 1029457525 /nfs/dbraw/zinc/45/75/25/1029457525.db2.gz VECIMZPAUAXNMZ-GOSISDBHSA-N 2 0 324.896 3.619 20 0 DHADRP Cc1cc(NC2CC[NH+](C3CCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000450883973 1029727967 /nfs/dbraw/zinc/72/79/67/1029727967.db2.gz YIEMHVICVOEIQL-UHFFFAOYSA-N 2 0 313.420 3.533 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC000820810589 1029769252 /nfs/dbraw/zinc/76/92/52/1029769252.db2.gz AABGMLVMSBLFIH-ZYSHUDEJSA-N 2 0 316.489 3.747 20 0 DHADRP C[C@@H](NCC[N@H+](C)C1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000820808286 1029769572 /nfs/dbraw/zinc/76/95/72/1029769572.db2.gz CHVCJGSYBQSSNS-QGZVFWFLSA-N 2 0 317.521 3.663 20 0 DHADRP Cc1nc(C)c(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000820812864 1029771156 /nfs/dbraw/zinc/77/11/56/1029771156.db2.gz UMEHHDWTSSADIG-GFCCVEGCSA-N 2 0 303.475 3.672 20 0 DHADRP COc1cccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CC2(C)C)c1 ZINC000530231155 1029783621 /nfs/dbraw/zinc/78/36/21/1029783621.db2.gz NFRCEFVGEINLHP-IBGZPJMESA-N 2 0 316.489 3.510 20 0 DHADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000121713471 1029832768 /nfs/dbraw/zinc/83/27/68/1029832768.db2.gz GCABQXIJGWXOQG-IBGZPJMESA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCc2cccc(F)c2C1)CC(C)(C)CC[NH3+] ZINC001170973954 1029908872 /nfs/dbraw/zinc/90/88/72/1029908872.db2.gz TZRFGXLQVPHHFT-GDBMZVCRSA-N 2 0 306.469 3.674 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000865716966 1029986168 /nfs/dbraw/zinc/98/61/68/1029986168.db2.gz JIQVEBHJZIHZQK-UHFFFAOYSA-N 2 0 314.473 3.563 20 0 DHADRP C1CC([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCOC2)C1 ZINC000865759850 1030009341 /nfs/dbraw/zinc/00/93/41/1030009341.db2.gz SPNGGIRMOVFFRK-XLIONFOSSA-N 2 0 320.521 3.578 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290420749 1030043178 /nfs/dbraw/zinc/04/31/78/1030043178.db2.gz USCCXPXQOWFJRU-PKOBYXMFSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@@H]1C[C@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000290430431 1030046566 /nfs/dbraw/zinc/04/65/66/1030046566.db2.gz VAZUKZMAADMJQC-RZXSNQJFSA-N 2 0 324.468 3.534 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCCCC2)[C@@H](C)C1 ZINC000557274419 1030078715 /nfs/dbraw/zinc/07/87/15/1030078715.db2.gz VFFMOSAUQLIAHR-ZWKOTPCHSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnn(C2CCC2)c1 ZINC000924680193 1030158089 /nfs/dbraw/zinc/15/80/89/1030158089.db2.gz BROWUSSZKUQBQY-KRWDZBQOSA-N 2 0 318.509 3.771 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccnn1C1CCC1 ZINC000924686480 1030159878 /nfs/dbraw/zinc/15/98/78/1030159878.db2.gz LTRNYOKNLNKFTI-SJORKVTESA-N 2 0 318.509 3.913 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+]CC(C)(C)C[NH+](C)C ZINC000866212881 1030164627 /nfs/dbraw/zinc/16/46/27/1030164627.db2.gz KJKOLAADOBBFOZ-MRXNPFEDSA-N 2 0 313.489 3.733 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000866219374 1030166983 /nfs/dbraw/zinc/16/69/83/1030166983.db2.gz MPGRGMYZKDHSQD-SFHVURJKSA-N 2 0 311.473 3.514 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000866231964 1030169354 /nfs/dbraw/zinc/16/93/54/1030169354.db2.gz AYLGUIILTJYZLI-HBGVWJBISA-N 2 0 323.484 3.772 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000557522729 1030173028 /nfs/dbraw/zinc/17/30/28/1030173028.db2.gz ZYLUTBXYHYMHHI-GOSISDBHSA-N 2 0 309.457 3.569 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000866239533 1030173220 /nfs/dbraw/zinc/17/32/20/1030173220.db2.gz XXRBSAFOJNZEHU-UXPWSPDFSA-N 2 0 323.484 3.772 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1 ZINC000924828955 1030200940 /nfs/dbraw/zinc/20/09/40/1030200940.db2.gz MYKHULZGUHSBLP-PBPGXSGUSA-N 2 0 316.489 3.574 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccns2)c1 ZINC000924828032 1030200967 /nfs/dbraw/zinc/20/09/67/1030200967.db2.gz GTOQOQZJPOBZDG-AWEZNQCLSA-N 2 0 303.475 3.834 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)CCC2 ZINC000357846545 1030219559 /nfs/dbraw/zinc/21/95/59/1030219559.db2.gz IGWXZJJTSPDAEP-AWEZNQCLSA-N 2 0 307.507 3.541 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924956970 1030233276 /nfs/dbraw/zinc/23/32/76/1030233276.db2.gz ZWCOLZPRCISACO-CVEARBPZSA-N 2 0 312.457 3.736 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924956975 1030235533 /nfs/dbraw/zinc/23/55/33/1030235533.db2.gz ZWCOLZPRCISACO-JKSUJKDBSA-N 2 0 312.457 3.736 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000866338253 1030241215 /nfs/dbraw/zinc/24/12/15/1030241215.db2.gz YYRQUGNIYYXAJV-ZHALLVOQSA-N 2 0 315.505 3.645 20 0 DHADRP CC(C)(C)OCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246045756 1030258490 /nfs/dbraw/zinc/25/84/90/1030258490.db2.gz AQBZBABBUUUUMS-OALUTQOASA-N 2 0 316.489 3.718 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(Br)c2)CC[NH2+]1 ZINC001246238331 1030261626 /nfs/dbraw/zinc/26/16/26/1030261626.db2.gz LARMMAHVPAMKPQ-UGFHNGPFSA-N 2 0 311.267 3.630 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000866381144 1030267374 /nfs/dbraw/zinc/26/73/74/1030267374.db2.gz IBQDUONKTGWLAM-SVFBPWRDSA-N 2 0 323.484 3.714 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000557802740 1030298514 /nfs/dbraw/zinc/29/85/14/1030298514.db2.gz FIUMCNITGRFTFH-AZUAARDMSA-N 2 0 318.505 3.530 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)cn1 ZINC000866467367 1030306765 /nfs/dbraw/zinc/30/67/65/1030306765.db2.gz GAPGUOXQYMWNHO-INIZCTEOSA-N 2 0 306.498 3.625 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000866467303 1030306871 /nfs/dbraw/zinc/30/68/71/1030306871.db2.gz CNPLIUNJFCRJGG-CYBMUJFWSA-N 2 0 309.523 3.921 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358067217 1030307117 /nfs/dbraw/zinc/30/71/17/1030307117.db2.gz WZQQNGBYPLXQER-NBMRYCAZSA-N 2 0 322.880 3.632 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866468249 1030309653 /nfs/dbraw/zinc/30/96/53/1030309653.db2.gz DAHCEUAWHZOBAQ-AWEZNQCLSA-N 2 0 310.507 3.918 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCCC2 ZINC000151983943 1030372231 /nfs/dbraw/zinc/37/22/31/1030372231.db2.gz RAPLSSQJHILHLA-RTBURBONSA-N 2 0 320.521 3.721 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000925477632 1030373091 /nfs/dbraw/zinc/37/30/91/1030373091.db2.gz FQNNPZQZQWIDQL-OALUTQOASA-N 2 0 318.505 3.522 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)CO2 ZINC000925535051 1030389164 /nfs/dbraw/zinc/38/91/64/1030389164.db2.gz SRXWRDHVDHXNMQ-HNAYVOBHSA-N 2 0 310.441 3.841 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)CO2 ZINC000925535054 1030390797 /nfs/dbraw/zinc/39/07/97/1030390797.db2.gz SRXWRDHVDHXNMQ-KXBFYZLASA-N 2 0 310.441 3.841 20 0 DHADRP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171031081 1030394247 /nfs/dbraw/zinc/39/42/47/1030394247.db2.gz SSDREGHEWKVFNX-MRXNPFEDSA-N 2 0 318.892 3.791 20 0 DHADRP CC1(C)[C@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925542135 1030395705 /nfs/dbraw/zinc/39/57/05/1030395705.db2.gz NOGZZCZXXSNORI-VYDRJRHOSA-N 2 0 318.427 3.721 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925546296 1030396350 /nfs/dbraw/zinc/39/63/50/1030396350.db2.gz JBEVVHIGBRHFTR-LJQANCHMSA-N 2 0 324.468 3.797 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000866608941 1030398758 /nfs/dbraw/zinc/39/87/58/1030398758.db2.gz OOQSNNPXVXMQHQ-FQEVSTJZSA-N 2 0 315.505 3.645 20 0 DHADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925556128 1030401702 /nfs/dbraw/zinc/40/17/02/1030401702.db2.gz KLTDBXSPADSEHX-OALUTQOASA-N 2 0 322.537 3.731 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925615896 1030422275 /nfs/dbraw/zinc/42/22/75/1030422275.db2.gz JHRJENPQHKLUGU-PGYGNJIDSA-N 2 0 315.505 3.645 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000925626948 1030427579 /nfs/dbraw/zinc/42/75/79/1030427579.db2.gz RYYCOEQBRVHZHO-SQNIBIBYSA-N 2 0 304.478 3.650 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925655072 1030440140 /nfs/dbraw/zinc/44/01/40/1030440140.db2.gz JDCBFIKLJNYHJU-BLYMFVFMSA-N 2 0 304.865 3.705 20 0 DHADRP COc1cccc(Cl)c1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925655358 1030443765 /nfs/dbraw/zinc/44/37/65/1030443765.db2.gz AIJIVSRYVJMAII-QGZVFWFLSA-N 2 0 318.848 3.918 20 0 DHADRP CCO[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925657000 1030443889 /nfs/dbraw/zinc/44/38/89/1030443889.db2.gz AHDXMBPYRFTXON-SLFFLAALSA-N 2 0 316.489 3.522 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@H](C)O1 ZINC000925666826 1030445664 /nfs/dbraw/zinc/44/56/64/1030445664.db2.gz NSBUTAKRYLMDJE-ZMMAXQRCSA-N 2 0 304.478 3.650 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1 ZINC000925670026 1030449075 /nfs/dbraw/zinc/44/90/75/1030449075.db2.gz FSIIRILKBJJNON-SFHVURJKSA-N 2 0 309.457 3.573 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925681617 1030451328 /nfs/dbraw/zinc/45/13/28/1030451328.db2.gz WGZXUBYSSIGEMX-BZUAXINKSA-N 2 0 300.437 3.570 20 0 DHADRP c1ccc2c(CC[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)ccnc2c1 ZINC000925705097 1030457640 /nfs/dbraw/zinc/45/76/40/1030457640.db2.gz JJKCJCDYADNYFF-TZIWHRDSSA-N 2 0 323.484 3.535 20 0 DHADRP CCc1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccnc2)cc1 ZINC000925708590 1030460203 /nfs/dbraw/zinc/46/02/03/1030460203.db2.gz MMTWCUXVSSLHKT-NRFANRHFSA-N 2 0 321.468 3.585 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccccc1 ZINC000925726352 1030464903 /nfs/dbraw/zinc/46/49/03/1030464903.db2.gz RPOGEYWMZOBBLU-HKUYNNGSSA-N 2 0 309.457 3.656 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000121685857 1030465117 /nfs/dbraw/zinc/46/51/17/1030465117.db2.gz LLSCLDQXLAWWGW-KRWDZBQOSA-N 2 0 318.505 3.728 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc2ncccc12)c1ccccc1 ZINC000925728770 1030467909 /nfs/dbraw/zinc/46/79/09/1030467909.db2.gz HVWMXTLTWHCUET-IBGZPJMESA-N 2 0 305.425 3.805 20 0 DHADRP C[C@@H](c1ccc2ccccc2c1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925748597 1030477407 /nfs/dbraw/zinc/47/74/07/1030477407.db2.gz WOQULOIFMYFZBT-ZDUSSCGKSA-N 2 0 323.465 3.874 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000925760796 1030485434 /nfs/dbraw/zinc/48/54/34/1030485434.db2.gz SCZNZZXKKCJHKA-ROUUACIJSA-N 2 0 320.452 3.639 20 0 DHADRP C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358456101 1030495547 /nfs/dbraw/zinc/49/55/47/1030495547.db2.gz AITDPHARXNEKLU-LCMLCXGQSA-N 2 0 308.510 3.575 20 0 DHADRP CCc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C(C)C)cc1 ZINC000925785422 1030496029 /nfs/dbraw/zinc/49/60/29/1030496029.db2.gz UKDUBKONMUDFSB-IAGOWNOFSA-N 2 0 310.432 3.781 20 0 DHADRP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccs1 ZINC000925786956 1030498521 /nfs/dbraw/zinc/49/85/21/1030498521.db2.gz YFCVHKFMAIHSEB-CHWSQXEVSA-N 2 0 302.434 3.670 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000925800196 1030499616 /nfs/dbraw/zinc/49/96/16/1030499616.db2.gz WPWUAXZEHAQNHC-CBBWQLFWSA-N 2 0 317.502 3.624 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)c(C)c2c1 ZINC000925802249 1030502484 /nfs/dbraw/zinc/50/24/84/1030502484.db2.gz ZLYBWXYXODBHEW-VHDGCEQUSA-N 2 0 316.445 3.646 20 0 DHADRP FC1(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000558257532 1030503405 /nfs/dbraw/zinc/50/34/05/1030503405.db2.gz QWJLPWFCYDXCKB-GBESFXJTSA-N 2 0 316.464 3.769 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1OCC ZINC000925875645 1030528885 /nfs/dbraw/zinc/52/88/85/1030528885.db2.gz KLSOEUBHOYTUDY-HYVNUMGLSA-N 2 0 320.477 3.652 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000925876422 1030528938 /nfs/dbraw/zinc/52/89/38/1030528938.db2.gz XPKYWHLEFXVKHB-NOVWEMISSA-N 2 0 320.452 3.578 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000925881708 1030531455 /nfs/dbraw/zinc/53/14/55/1030531455.db2.gz KUBUCULEQHLUSA-GDAAHCPNSA-N 2 0 304.453 3.554 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c(C)c1 ZINC000925881634 1030531780 /nfs/dbraw/zinc/53/17/80/1030531780.db2.gz KEQSECOEJIRIFO-BLIXFSHQSA-N 2 0 324.468 3.713 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000925886388 1030533414 /nfs/dbraw/zinc/53/34/14/1030533414.db2.gz FVHNIFNCLOXBGL-QFUCXCTJSA-N 2 0 322.452 3.549 20 0 DHADRP CCC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccnc1 ZINC000925886978 1030533938 /nfs/dbraw/zinc/53/39/38/1030533938.db2.gz OPLICUWDWLYUIB-SLFFLAALSA-N 2 0 309.457 3.572 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000925886755 1030534053 /nfs/dbraw/zinc/53/40/53/1030534053.db2.gz KQYNTHMZGULLDW-DZFGPLHGSA-N 2 0 321.468 3.582 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171057589 1030563745 /nfs/dbraw/zinc/56/37/45/1030563745.db2.gz CPTBGBGQUFOQEL-MJBXVCDLSA-N 2 0 313.272 3.710 20 0 DHADRP C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(C[NH+](C)C)c1 ZINC000925995037 1030570966 /nfs/dbraw/zinc/57/09/66/1030570966.db2.gz SLXPQUZGVXOKAZ-OAHLLOKOSA-N 2 0 321.428 3.502 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C)n2)CC1)CC(C)C ZINC000358741348 1030609437 /nfs/dbraw/zinc/60/94/37/1030609437.db2.gz WUTAWVCYAXEHMJ-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cc(O)cc(F)c1 ZINC000926118682 1030622262 /nfs/dbraw/zinc/62/22/62/1030622262.db2.gz BCFHFTQUQPHOCN-KKUMJFAQSA-N 2 0 320.452 3.835 20 0 DHADRP C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1cnn(C2CCC2)c1 ZINC000926146472 1030633938 /nfs/dbraw/zinc/63/39/38/1030633938.db2.gz VFMVKGPDSDXKTE-JKSUJKDBSA-N 2 0 304.482 3.523 20 0 DHADRP COC1CCC(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926158926 1030636198 /nfs/dbraw/zinc/63/61/98/1030636198.db2.gz ZPYKIYULXDOASN-ZRZPHAQCSA-N 2 0 318.505 3.994 20 0 DHADRP Cc1cnc([C@H](C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926157268 1030636420 /nfs/dbraw/zinc/63/64/20/1030636420.db2.gz BNIUXRCRMCWMIQ-UKRRQHHQSA-N 2 0 317.502 3.967 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000246887150 1030658670 /nfs/dbraw/zinc/65/86/70/1030658670.db2.gz FGKHBNXFKHASTA-DLBZAZTESA-N 2 0 306.498 3.627 20 0 DHADRP Cc1cccc(CCC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926399118 1030724042 /nfs/dbraw/zinc/72/40/42/1030724042.db2.gz AVHSHSWERGURBA-KRWDZBQOSA-N 2 0 311.473 3.735 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1csc(C(F)(F)F)c1 ZINC000926451434 1030745753 /nfs/dbraw/zinc/74/57/53/1030745753.db2.gz ZZSYMTPOMVOWAB-SCZZXKLOSA-N 2 0 315.364 3.698 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000926523709 1030782088 /nfs/dbraw/zinc/78/20/88/1030782088.db2.gz HGDKCJHLVFSRGD-ZWOKBUDYSA-N 2 0 318.505 3.850 20 0 DHADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000249084600 1030787336 /nfs/dbraw/zinc/78/73/36/1030787336.db2.gz IHNHDGFMIZXTGN-FUHIMQAGSA-N 2 0 316.489 3.576 20 0 DHADRP COc1c(C)cccc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926663555 1030847583 /nfs/dbraw/zinc/84/75/83/1030847583.db2.gz MNFRFKHRHAHIPW-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP Cc1cccc(C[N@H+](CCC2CC[NH2+]CC2)Cc2ccccn2)c1 ZINC000359229571 1030849168 /nfs/dbraw/zinc/84/91/68/1030849168.db2.gz YBVFLLKFCWDSBG-UHFFFAOYSA-N 2 0 323.484 3.782 20 0 DHADRP CSCC1(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926689504 1030862499 /nfs/dbraw/zinc/86/24/99/1030862499.db2.gz QHDOQFWQRZYCIC-OAHLLOKOSA-N 2 0 306.519 3.932 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(C[NH+](C)C)c1 ZINC000926708468 1030873197 /nfs/dbraw/zinc/87/31/97/1030873197.db2.gz IKKRAHWFZZBCPH-VLIAUNLRSA-N 2 0 310.441 3.792 20 0 DHADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001204863077 1030879760 /nfs/dbraw/zinc/87/97/60/1030879760.db2.gz CMASTCLASXIUKM-LBPRGKRZSA-N 2 0 301.261 3.815 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cccc(C[NH+](C)C)c1 ZINC000926741676 1030900566 /nfs/dbraw/zinc/90/05/66/1030900566.db2.gz HUAIOHAXOIWXIB-IERDGZPVSA-N 2 0 324.468 3.540 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171096561 1030905811 /nfs/dbraw/zinc/90/58/11/1030905811.db2.gz UIORZEHWDMKOCO-KBXCAEBGSA-N 2 0 306.881 3.519 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926779748 1030920997 /nfs/dbraw/zinc/92/09/97/1030920997.db2.gz SKXDAFAFTQCTOB-DQLDELGASA-N 2 0 324.468 3.929 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)F)cc1 ZINC000161641004 1030929340 /nfs/dbraw/zinc/92/93/40/1030929340.db2.gz ZKCIMVNITLSZST-NWANDNLSSA-N 2 0 310.388 3.565 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926891381 1030969761 /nfs/dbraw/zinc/96/97/61/1030969761.db2.gz YJVCFDXPXRXEQO-WUJZJPHMSA-N 2 0 317.477 3.747 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171109762 1030991600 /nfs/dbraw/zinc/99/16/00/1030991600.db2.gz MGBNRLRZRQISSI-FGTMMUONSA-N 2 0 306.881 3.660 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cccc(C[NH+](C)C)c1 ZINC000926920214 1030995275 /nfs/dbraw/zinc/99/52/75/1030995275.db2.gz PPUQUXZXZFFGIS-HZPDHXFCSA-N 2 0 324.468 3.922 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C(F)(F)F)CC2)C1 ZINC000926949197 1031012497 /nfs/dbraw/zinc/01/24/97/1031012497.db2.gz LJRBNCVIXQLKSV-DARAHFNDSA-N 2 0 318.427 3.818 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000927036476 1031044763 /nfs/dbraw/zinc/04/47/63/1031044763.db2.gz HWGMRECZZVIWBK-IOJLRTSASA-N 2 0 313.489 3.919 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC(C)([NH+]3CCC3)CC1)CC2 ZINC000927037819 1031045308 /nfs/dbraw/zinc/04/53/08/1031045308.db2.gz LAKXZFHPOMXXNF-AJPWXKBRSA-N 2 0 314.473 3.679 20 0 DHADRP COc1ccc(C[C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000927036836 1031046122 /nfs/dbraw/zinc/04/61/22/1031046122.db2.gz HCCSEUKDTWMVOU-PPDQVPDSSA-N 2 0 316.489 3.623 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261615188 1031046862 /nfs/dbraw/zinc/04/68/62/1031046862.db2.gz CQPNWHDWQFTURL-HXUWFJFHSA-N 2 0 310.441 3.533 20 0 DHADRP FC1(c2cccc(Cl)c2)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261759375 1031062365 /nfs/dbraw/zinc/06/23/65/1031062365.db2.gz MIEXIVHVXPLSSL-AWEZNQCLSA-N 2 0 310.844 3.600 20 0 DHADRP C[NH2+]C[C@@H]1CCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000262003674 1031087866 /nfs/dbraw/zinc/08/78/66/1031087866.db2.gz UHZXYMBTRQEMKM-INIZCTEOSA-N 2 0 314.404 3.659 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2OCCc3ccccc32)CC1 ZINC000927114782 1031097429 /nfs/dbraw/zinc/09/74/29/1031097429.db2.gz FRUCMYZRYACUST-IBGZPJMESA-N 2 0 316.489 3.543 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(c3ccccc3)CCCO2)CC1 ZINC000927114132 1031097629 /nfs/dbraw/zinc/09/76/29/1031097629.db2.gz BZIGKYXVIDLNLU-FQEVSTJZSA-N 2 0 316.489 3.545 20 0 DHADRP C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000359869006 1031171841 /nfs/dbraw/zinc/17/18/41/1031171841.db2.gz FHAAVBWPBUIAFI-MRXNPFEDSA-N 2 0 319.408 3.655 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000321612200 1031241611 /nfs/dbraw/zinc/24/16/11/1031241611.db2.gz SKXAYWYKPYEDGU-CTNGQTDRSA-N 2 0 308.469 3.902 20 0 DHADRP CCCC(CCC)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001257330385 1031315341 /nfs/dbraw/zinc/31/53/41/1031315341.db2.gz LAAQMPRLSPZVIQ-UHFFFAOYSA-N 2 0 310.526 3.683 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000844904189 1031388892 /nfs/dbraw/zinc/38/88/92/1031388892.db2.gz CZCUTGCQEGWCGK-GJZGRUSLSA-N 2 0 300.368 3.617 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144252458 1031392802 /nfs/dbraw/zinc/39/28/02/1031392802.db2.gz OGEBDXARQAJFLK-UHFFFAOYSA-N 2 0 323.484 3.785 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCCOC1 ZINC000872017525 1031397188 /nfs/dbraw/zinc/39/71/88/1031397188.db2.gz BCPHYUQPEGDFDN-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP COc1c(C)cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000536695703 1031403984 /nfs/dbraw/zinc/40/39/84/1031403984.db2.gz LOHWHIAKUUFJGE-UHFFFAOYSA-N 2 0 318.505 3.866 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@]1(F)Cl ZINC000844924146 1031404360 /nfs/dbraw/zinc/40/43/60/1031404360.db2.gz PFLVVQGFCMUWBG-DGXTUMSLSA-N 2 0 302.865 3.592 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(O)c1F ZINC000872021905 1031405564 /nfs/dbraw/zinc/40/55/64/1031405564.db2.gz FVQZOSIRMUAFKG-LSDHHAIUSA-N 2 0 308.441 3.694 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2cccs2)CCN1Cc1ccccc1 ZINC000379636691 1031416799 /nfs/dbraw/zinc/41/67/99/1031416799.db2.gz XOCBDUYIFFVILL-RDJZCZTQSA-N 2 0 300.471 3.891 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CS1 ZINC000379650544 1031425196 /nfs/dbraw/zinc/42/51/96/1031425196.db2.gz RXRFEGPHFWSNQG-MVJTYMMSSA-N 2 0 304.503 3.523 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@H]1CCCOC1 ZINC000872042022 1031428295 /nfs/dbraw/zinc/42/82/95/1031428295.db2.gz MDUQSWNKFUMBON-OALUTQOASA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCOC1 ZINC000872053185 1031440125 /nfs/dbraw/zinc/44/01/25/1031440125.db2.gz TWCCZAGZUGYLKD-YNIZLOQISA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000536883151 1031468370 /nfs/dbraw/zinc/46/83/70/1031468370.db2.gz RDOCFJNJAFWLAS-AAEUAGOBSA-N 2 0 301.261 3.608 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000536883156 1031468388 /nfs/dbraw/zinc/46/83/88/1031468388.db2.gz RDOCFJNJAFWLAS-DGCLKSJQSA-N 2 0 301.261 3.608 20 0 DHADRP C[C@@H](c1ccc(F)nc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929264022 1031480853 /nfs/dbraw/zinc/48/08/53/1031480853.db2.gz QAAVATKJIWAFGI-INIZCTEOSA-N 2 0 319.468 3.870 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000537017058 1031483365 /nfs/dbraw/zinc/48/33/65/1031483365.db2.gz GRUACDOUBNAWLY-UKRRQHHQSA-N 2 0 312.404 3.813 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000536998182 1031486692 /nfs/dbraw/zinc/48/66/92/1031486692.db2.gz IYZVVESSAMLKOT-BEFAXECRSA-N 2 0 304.453 3.987 20 0 DHADRP CO[C@@H]1CCC[C@@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000537025913 1031490406 /nfs/dbraw/zinc/49/04/06/1031490406.db2.gz NHACWULBCFXOFN-RTBURBONSA-N 2 0 318.505 3.549 20 0 DHADRP COCC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000872105768 1031495530 /nfs/dbraw/zinc/49/55/30/1031495530.db2.gz LTWHIMQQWRWTQR-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929505360 1031534409 /nfs/dbraw/zinc/53/44/09/1031534409.db2.gz HTQHSCCCAMURLX-GOSISDBHSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872155973 1031535173 /nfs/dbraw/zinc/53/51/73/1031535173.db2.gz BQOYZJMGROWFEY-WMLDXEAASA-N 2 0 307.507 3.571 20 0 DHADRP Cc1ncc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156144 1031536804 /nfs/dbraw/zinc/53/68/04/1031536804.db2.gz FHXULDXTXNZVSW-RHSMWYFYSA-N 2 0 307.507 3.571 20 0 DHADRP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+](C)CCCCCC[NH3+] ZINC000872155541 1031537142 /nfs/dbraw/zinc/53/71/42/1031537142.db2.gz PGKHYFOAPPLNJX-ZDUSSCGKSA-N 2 0 324.419 3.943 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCc2cccnc2)C1 ZINC000929642873 1031566086 /nfs/dbraw/zinc/56/60/86/1031566086.db2.gz BNWAYIRHCLWGKD-AZUAARDMSA-N 2 0 315.505 3.601 20 0 DHADRP C[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C[NH+]1CCCCC1 ZINC000360837783 1031581656 /nfs/dbraw/zinc/58/16/56/1031581656.db2.gz RITFCNRBCDLMSR-QFBILLFUSA-N 2 0 301.478 3.634 20 0 DHADRP c1cnc2cc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)ccc2n1 ZINC000873072925 1031705544 /nfs/dbraw/zinc/70/55/44/1031705544.db2.gz FFNYGIDLGZDUAM-UHFFFAOYSA-N 2 0 324.472 3.517 20 0 DHADRP CCc1nc(CN2CCC(CCCn3ccnc3)CC2)cs1 ZINC000361063617 1031706723 /nfs/dbraw/zinc/70/67/23/1031706723.db2.gz SYQKAIMKXNGKPO-UHFFFAOYSA-N 2 0 318.490 3.594 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000873151300 1031726480 /nfs/dbraw/zinc/72/64/80/1031726480.db2.gz UVESPQIZNNWYJZ-UHFFFAOYSA-N 2 0 319.424 3.567 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000361150579 1031758342 /nfs/dbraw/zinc/75/83/42/1031758342.db2.gz BNRAIVBAEWSQFZ-LJQANCHMSA-N 2 0 316.489 3.920 20 0 DHADRP Clc1cccc(C2([NH2+]Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC000873207223 1031759988 /nfs/dbraw/zinc/75/99/88/1031759988.db2.gz UBFKFCUYOWITJM-UHFFFAOYSA-N 2 0 318.873 3.826 20 0 DHADRP CSc1ccccc1C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210037 1031760484 /nfs/dbraw/zinc/76/04/84/1031760484.db2.gz XZJQZXZSPWEJIT-UHFFFAOYSA-N 2 0 318.511 3.748 20 0 DHADRP CC[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(C)cc1 ZINC000873212998 1031760678 /nfs/dbraw/zinc/76/06/78/1031760678.db2.gz TYHKTEARDLRCHQ-QGZVFWFLSA-N 2 0 300.471 3.943 20 0 DHADRP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211119 1031761073 /nfs/dbraw/zinc/76/10/73/1031761073.db2.gz VWYPTHZIYJVCTD-ZDUSSCGKSA-N 2 0 318.408 3.557 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211217 1031761219 /nfs/dbraw/zinc/76/12/19/1031761219.db2.gz KLYJNTAUYIRCSU-INIZCTEOSA-N 2 0 318.873 3.824 20 0 DHADRP FC(F)(F)CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CC1 ZINC000873208599 1031762000 /nfs/dbraw/zinc/76/20/00/1031762000.db2.gz XVVZVDKQWPYLLS-UHFFFAOYSA-N 2 0 318.408 3.558 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)ccc2n1 ZINC000873223347 1031763078 /nfs/dbraw/zinc/76/30/78/1031763078.db2.gz KRUQINZLFVLRML-HXUWFJFHSA-N 2 0 311.473 3.740 20 0 DHADRP CC(C)(C)c1ncc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873233045 1031767512 /nfs/dbraw/zinc/76/75/12/1031767512.db2.gz XJWLROZULVWFIY-HNNXBMFYSA-N 2 0 321.534 3.843 20 0 DHADRP CC(C)n1cc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232263 1031768162 /nfs/dbraw/zinc/76/81/62/1031768162.db2.gz NVRJJIZYHOWWNE-VQIMIIECSA-N 2 0 318.509 3.584 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C2CC2)cc1 ZINC000873244538 1031771269 /nfs/dbraw/zinc/77/12/69/1031771269.db2.gz MQTDPXJAJBMWNW-FUHWJXTLSA-N 2 0 302.462 3.514 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000873248077 1031772163 /nfs/dbraw/zinc/77/21/63/1031772163.db2.gz ZFJOIMBKVUMOMQ-BFHYXJOUSA-N 2 0 306.416 3.865 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257624 1031776287 /nfs/dbraw/zinc/77/62/87/1031776287.db2.gz UNBCPUMUCLPVPN-BRWVUGGUSA-N 2 0 300.471 3.667 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000873258981 1031776538 /nfs/dbraw/zinc/77/65/38/1031776538.db2.gz XLONPPJHFWCQRS-HUBLWGQQSA-N 2 0 304.434 3.942 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(OCc2ccccc2)c1 ZINC000873258341 1031777869 /nfs/dbraw/zinc/77/78/69/1031777869.db2.gz OEYHBRIQXTZLHM-SZVBFZGTSA-N 2 0 310.441 3.654 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OCc2ccccc2)cc1 ZINC000873257278 1031777954 /nfs/dbraw/zinc/77/79/54/1031777954.db2.gz SKIXQUSFLOLOOM-SUMDDJOVSA-N 2 0 310.441 3.654 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCS2 ZINC000873260201 1031778563 /nfs/dbraw/zinc/77/85/63/1031778563.db2.gz VCVZGHKNOVBNDM-UZMCECQYSA-N 2 0 322.905 3.997 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873259799 1031779441 /nfs/dbraw/zinc/77/94/41/1031779441.db2.gz LOARGDGLCIQRGO-XQLPTFJDSA-N 2 0 324.415 3.778 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-c2ccncc2)c1 ZINC000873262925 1031780343 /nfs/dbraw/zinc/78/03/43/1031780343.db2.gz DLPRKBKSCDLZAQ-WWEWDKITSA-N 2 0 321.468 3.930 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000873271768 1031784398 /nfs/dbraw/zinc/78/43/98/1031784398.db2.gz KXEAJKRGKSXSKP-HOTGVXAUSA-N 2 0 309.457 3.787 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273600 1031785313 /nfs/dbraw/zinc/78/53/13/1031785313.db2.gz JFDHHFTWRCASDX-BYNSBNAKSA-N 2 0 304.400 3.784 20 0 DHADRP C[C@@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296656 1031793471 /nfs/dbraw/zinc/79/34/71/1031793471.db2.gz KTSLWTRJEHUUEZ-ONERCXAPSA-N 2 0 321.346 3.896 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC1 ZINC000897882802 1031868645 /nfs/dbraw/zinc/86/86/45/1031868645.db2.gz VLRMDRXYXXDDQY-SAZUREKKSA-N 2 0 308.416 3.673 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000897969195 1031901042 /nfs/dbraw/zinc/90/10/42/1031901042.db2.gz GHSDDGKILIUWSB-MBOZVWFJSA-N 2 0 315.505 3.645 20 0 DHADRP CSCc1ccc(CN2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897978022 1031907323 /nfs/dbraw/zinc/90/73/23/1031907323.db2.gz KNWXOTVZJSCQOB-UHFFFAOYSA-N 2 0 304.503 3.656 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(SC(F)F)cc1 ZINC000846218351 1031934735 /nfs/dbraw/zinc/93/47/35/1031934735.db2.gz RJRDRGLZAFCHGY-UHFFFAOYSA-N 2 0 302.434 3.952 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000361525580 1031969956 /nfs/dbraw/zinc/96/99/56/1031969956.db2.gz OEAZDAWEBUXVHG-SFHVURJKSA-N 2 0 318.505 3.879 20 0 DHADRP CCCC[N@H+](C[C@H]1C[C@@H](OC)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034321 1032015968 /nfs/dbraw/zinc/01/59/68/1032015968.db2.gz RANRXBVWLUXIAN-WOVMCDHWSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534157 1032052431 /nfs/dbraw/zinc/05/24/31/1032052431.db2.gz WZYACFWESYKGQN-QWHCGFSZSA-N 2 0 300.368 3.698 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643522657 1033342550 /nfs/dbraw/zinc/34/25/50/1033342550.db2.gz RGUYFJUSAXTVMX-HECAZONMSA-N 2 0 316.489 3.694 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)sc1Br ZINC000643522650 1033342797 /nfs/dbraw/zinc/34/27/97/1033342797.db2.gz QVZBNVXPXUYXBM-WDEREUQCSA-N 2 0 317.296 3.612 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172708559 1033345680 /nfs/dbraw/zinc/34/56/80/1033345680.db2.gz ANAMUADNYFHTJR-GOSISDBHSA-N 2 0 306.881 3.517 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000927030382 1033350825 /nfs/dbraw/zinc/35/08/25/1033350825.db2.gz IHEGGLHQKRFENY-INMHGKMJSA-N 2 0 322.518 3.562 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877584608 1033369586 /nfs/dbraw/zinc/36/95/86/1033369586.db2.gz HTNYNJZQFFRHTM-LBPRGKRZSA-N 2 0 323.893 3.771 20 0 DHADRP Cc1ccc2c(c1)C[C@@H](n1cc(CC[NH3+])c3c[nH+]ccc31)CC2 ZINC001172832300 1033396203 /nfs/dbraw/zinc/39/62/03/1033396203.db2.gz SFNBKDYVLWHZNF-SFHVURJKSA-N 2 0 305.425 3.576 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nccc3ccccc31)CC2 ZINC000877684774 1033409128 /nfs/dbraw/zinc/40/91/28/1033409128.db2.gz XBZLRJFTEKUENI-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3cccnc31)CC2 ZINC000877684141 1033410490 /nfs/dbraw/zinc/41/04/90/1033410490.db2.gz IDNILIWOXYLJNX-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC(C)([NH+]3CCCC3)CC1)CC2 ZINC001172838973 1033410604 /nfs/dbraw/zinc/41/06/04/1033410604.db2.gz NQCBCVJJYCHLHJ-FQEVSTJZSA-N 2 0 312.501 3.803 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172854524 1033423420 /nfs/dbraw/zinc/42/34/20/1033423420.db2.gz OVIPXWCWGLGNRE-ZDUSSCGKSA-N 2 0 300.849 3.732 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000152676197 1033426549 /nfs/dbraw/zinc/42/65/49/1033426549.db2.gz XZYWGBJEYCVZLM-BEFAXECRSA-N 2 0 306.469 3.713 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172859409 1033428696 /nfs/dbraw/zinc/42/86/96/1033428696.db2.gz JRDFJGYNWZGFQA-KCXAZCMYSA-N 2 0 312.860 3.873 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCC[NH+](C)C ZINC001172863025 1033432919 /nfs/dbraw/zinc/43/29/19/1033432919.db2.gz LMAKEDHYSSXRKX-CYBMUJFWSA-N 2 0 300.849 3.732 20 0 DHADRP CC(C)C[N@@H+](Cc1nc2ccccc2o1)CC1CC[NH+](C)CC1 ZINC000877767618 1033439609 /nfs/dbraw/zinc/43/96/09/1033439609.db2.gz PVDWEUHRXNCFKY-UHFFFAOYSA-N 2 0 315.461 3.628 20 0 DHADRP Cc1cc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc[nH+]1 ZINC000478275095 1033447898 /nfs/dbraw/zinc/44/78/98/1033447898.db2.gz FUTDYOBLWFRLLY-UHFFFAOYSA-N 2 0 317.436 3.865 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2cccc(F)c2)c1 ZINC000643536214 1033476049 /nfs/dbraw/zinc/47/60/49/1033476049.db2.gz OIWPUYSBNZPFNO-UXHICEINSA-N 2 0 324.443 3.955 20 0 DHADRP CCCOC1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001173092745 1033523461 /nfs/dbraw/zinc/52/34/61/1033523461.db2.gz CMLQVRVQYOHMHH-UHFFFAOYSA-N 2 0 310.526 3.965 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1SC ZINC000152453597 1033525109 /nfs/dbraw/zinc/52/51/09/1033525109.db2.gz KHCLEPJHGHJNGY-UONOGXRCSA-N 2 0 320.502 3.552 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC001173100999 1033540408 /nfs/dbraw/zinc/54/04/08/1033540408.db2.gz BDDGBZPLDZHJQY-FAEJEUNOSA-N 2 0 304.478 3.999 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](C)c2ccc(O)cc2)CC1 ZINC001173102595 1033540886 /nfs/dbraw/zinc/54/08/86/1033540886.db2.gz ALAOYXFOOJEECT-ZLPCBKJTSA-N 2 0 304.478 3.738 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](c2ccc(F)cn2)C2CC2)CC1 ZINC001173107200 1033544988 /nfs/dbraw/zinc/54/49/88/1033544988.db2.gz YHXJEFGHEJVWRQ-TVPLGVNVSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2CC[NH+](CC(C)C)CC2)CC1 ZINC001173107023 1033545732 /nfs/dbraw/zinc/54/57/32/1033545732.db2.gz IDVDQHNZGONMPV-UHFFFAOYSA-N 3 0 323.569 3.597 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCCc3cnccc32)CC1 ZINC001173109319 1033545741 /nfs/dbraw/zinc/54/57/41/1033545741.db2.gz BVDMOEHGLCNFOR-TVPLGVNVSA-N 2 0 301.478 3.702 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)Cc2ccccc2OC)CC1 ZINC001173112207 1033547395 /nfs/dbraw/zinc/54/73/95/1033547395.db2.gz SRSZTBCYFWGPNT-UHFFFAOYSA-N 2 0 304.478 3.780 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2Cc3cccc(OC)c3C2)CC1 ZINC001173113629 1033547846 /nfs/dbraw/zinc/54/78/46/1033547846.db2.gz YEHGFYZZNIPXGB-UHFFFAOYSA-N 2 0 302.462 3.664 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3c(cccc3OC)C2)CC1 ZINC001173113923 1033549427 /nfs/dbraw/zinc/54/94/27/1033549427.db2.gz PCEDWPUPPUXGRD-UHFFFAOYSA-N 2 0 316.489 3.706 20 0 DHADRP C([NH2+]C1CCC2(CCCCC2)CC1)C1CC[NH+](C2COC2)CC1 ZINC001173115775 1033550872 /nfs/dbraw/zinc/55/08/72/1033550872.db2.gz BEPFWGUICYZFAG-UHFFFAOYSA-N 2 0 320.521 3.580 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC(=O)[C@H](C)C23CCCC3)CC1 ZINC001173115483 1033552196 /nfs/dbraw/zinc/55/21/96/1033552196.db2.gz DCODBVRGAKPEQG-AOCRQIFASA-N 2 0 320.521 3.863 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878033890 1033562693 /nfs/dbraw/zinc/56/26/93/1033562693.db2.gz BEQFPDSXMGNBHE-UXHICEINSA-N 2 0 316.489 3.711 20 0 DHADRP CCCOC1CCC([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CC1 ZINC001173099205 1033563069 /nfs/dbraw/zinc/56/30/69/1033563069.db2.gz BRWBSQXJYCWECM-UHFFFAOYSA-N 2 0 322.537 3.778 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878165032 1033602680 /nfs/dbraw/zinc/60/26/80/1033602680.db2.gz RXBPYZCLUYGAGD-UXHICEINSA-N 2 0 316.489 3.713 20 0 DHADRP CCc1ccc(C[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001173244403 1033616889 /nfs/dbraw/zinc/61/68/89/1033616889.db2.gz VLVIXJMARAAKOB-QGZVFWFLSA-N 2 0 300.490 3.598 20 0 DHADRP CCc1ccc(C[C@H](C)n2cnc(C)c2CSCC[NH3+])cc1 ZINC001173244165 1033617068 /nfs/dbraw/zinc/61/70/68/1033617068.db2.gz NIYPFJFEEYVFPA-AWEZNQCLSA-N 2 0 317.502 3.750 20 0 DHADRP CCc1ccc(C[C@@H](C)n2cnc(C)c2CSCC[NH3+])cc1 ZINC001173244166 1033617312 /nfs/dbraw/zinc/61/73/12/1033617312.db2.gz NIYPFJFEEYVFPA-CQSZACIVSA-N 2 0 317.502 3.750 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C1 ZINC001173269432 1033638374 /nfs/dbraw/zinc/63/83/74/1033638374.db2.gz IMKQNLXBRFDLHY-NVXWUHKLSA-N 2 0 304.453 3.740 20 0 DHADRP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(OC)cc3)CC2)C1 ZINC001173273953 1033642482 /nfs/dbraw/zinc/64/24/82/1033642482.db2.gz HWJYMQXOXFUMAV-NVXWUHKLSA-N 2 0 302.462 3.524 20 0 DHADRP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001173272249 1033642750 /nfs/dbraw/zinc/64/27/50/1033642750.db2.gz UJXZLWNSPVYCLB-DOTOQJQBSA-N 2 0 302.462 3.524 20 0 DHADRP CCSC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC001173294633 1033653503 /nfs/dbraw/zinc/65/35/03/1033653503.db2.gz GTSCBWUATYZDTN-HNNXBMFYSA-N 2 0 324.509 3.769 20 0 DHADRP Cc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nc1Cl ZINC000878328386 1033661514 /nfs/dbraw/zinc/66/15/14/1033661514.db2.gz GQBSKJHMIGHBNO-UHFFFAOYSA-N 2 0 309.885 3.597 20 0 DHADRP [NH3+][C@H]1CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC[C@@H]1F ZINC001206199066 1033721942 /nfs/dbraw/zinc/72/19/42/1033721942.db2.gz NQPXAHZGZXETNU-PMACEKPBSA-N 2 0 312.432 3.539 20 0 DHADRP COC(=O)CCCC[C@@H](C)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173442748 1033733610 /nfs/dbraw/zinc/73/36/10/1033733610.db2.gz HZLVNJANIAPGHC-JFIYKMOQSA-N 2 0 324.509 3.623 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CC2)cc1 ZINC000479552633 1033808098 /nfs/dbraw/zinc/80/80/98/1033808098.db2.gz IFZFJDOHFNELFA-XVAXZDLZSA-N 2 0 312.501 3.923 20 0 DHADRP C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C(F)(F)F ZINC000479586831 1033826207 /nfs/dbraw/zinc/82/62/07/1033826207.db2.gz DLJKFNJNZYCLLI-AWEZNQCLSA-N 2 0 316.411 3.933 20 0 DHADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001173691120 1033837500 /nfs/dbraw/zinc/83/75/00/1033837500.db2.gz GNIMFVJMEFDPDQ-XMCAMKFCSA-N 2 0 324.512 3.697 20 0 DHADRP CCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000667544108 1033880435 /nfs/dbraw/zinc/88/04/35/1033880435.db2.gz WGISKVAQZLSWPN-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479870261 1033930492 /nfs/dbraw/zinc/93/04/92/1033930492.db2.gz CFWXJSOCNMCHED-JTDSTZFVSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]1C[N@H+](CCc2ccc(C(F)(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205985207 1033977216 /nfs/dbraw/zinc/97/72/16/1033977216.db2.gz WNVTVWHQRLNSTL-ZFWWWQNUSA-N 2 0 314.395 3.555 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)C1 ZINC000554140045 1033985014 /nfs/dbraw/zinc/98/50/14/1033985014.db2.gz QONXJQXXCLKLIR-FKFRUQKQSA-N 2 0 318.427 3.960 20 0 DHADRP C[C@@H](C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000667589866 1034007802 /nfs/dbraw/zinc/00/78/02/1034007802.db2.gz FNIJGMPWMXDFJW-INIZCTEOSA-N 2 0 306.413 3.503 20 0 DHADRP COc1cc2c(N[C@H](C)C(C)(C)C[NH+](C)C)cc[nH+]c2cc1F ZINC000480023528 1034012232 /nfs/dbraw/zinc/01/22/32/1034012232.db2.gz ZIOWBRGEQUEZIO-GFCCVEGCSA-N 2 0 319.424 3.771 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc[nH]c2)C1 ZINC000175698520 1034037858 /nfs/dbraw/zinc/03/78/58/1034037858.db2.gz VZHUDHZJVIFTAV-IRXDYDNUSA-N 2 0 311.473 3.782 20 0 DHADRP Cc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480087853 1034055543 /nfs/dbraw/zinc/05/55/43/1034055543.db2.gz ZHWRZNRCDNWSRJ-PZJWPPBQSA-N 2 0 321.468 3.881 20 0 DHADRP Clc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000554317986 1034085195 /nfs/dbraw/zinc/08/51/95/1034085195.db2.gz NNFDKGCOVIXLEA-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP CCCC[C@@H](COC)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000480170154 1034108278 /nfs/dbraw/zinc/10/82/78/1034108278.db2.gz PZNUBCJOBNOWKV-IBGZPJMESA-N 2 0 304.478 3.577 20 0 DHADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000863542347 1034124367 /nfs/dbraw/zinc/12/43/67/1034124367.db2.gz QBHZXICSVFMXMT-RNCFNFMXSA-N 2 0 314.260 3.511 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)[C@H](C)C1 ZINC000554390142 1034131153 /nfs/dbraw/zinc/13/11/53/1034131153.db2.gz FISDURYVHKSDOY-XGXHKWSGSA-N 2 0 316.489 3.552 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)[C@@H](C)C1 ZINC000554390141 1034131655 /nfs/dbraw/zinc/13/16/55/1034131655.db2.gz FISDURYVHKSDOY-WZGPROSRSA-N 2 0 316.489 3.552 20 0 DHADRP CC(C)c1cc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000879920022 1034159601 /nfs/dbraw/zinc/15/96/01/1034159601.db2.gz VKNPEVIHGGZAMY-KRWDZBQOSA-N 2 0 318.509 3.589 20 0 DHADRP C[NH2+]C[C@H](O)c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000863679916 1034176575 /nfs/dbraw/zinc/17/65/75/1034176575.db2.gz MNYQFZXOUMVDRQ-NRFANRHFSA-N 2 0 324.468 3.592 20 0 DHADRP C[C@@H]([NH2+]Cc1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178023698 1034202335 /nfs/dbraw/zinc/20/23/35/1034202335.db2.gz QMXGYLWHRYYEJQ-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000480456234 1034251220 /nfs/dbraw/zinc/25/12/20/1034251220.db2.gz XURYHRQYJGSLNY-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccsc1 ZINC000178618373 1034252214 /nfs/dbraw/zinc/25/22/14/1034252214.db2.gz NZRZYBHHYFITJC-HNNXBMFYSA-N 2 0 318.486 3.929 20 0 DHADRP c1cc2c(cccc2C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC001168363036 1034260483 /nfs/dbraw/zinc/26/04/83/1034260483.db2.gz QZKYDMHLHFXELV-UHFFFAOYSA-N 2 0 300.471 3.865 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1F ZINC000658355125 1034276028 /nfs/dbraw/zinc/27/60/28/1034276028.db2.gz AVDAIUYEAYMXSZ-CYBMUJFWSA-N 2 0 308.416 3.737 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000864055304 1034281396 /nfs/dbraw/zinc/28/13/96/1034281396.db2.gz MTSXHJIKKAZLGJ-LLVKDONJSA-N 2 0 306.397 3.635 20 0 DHADRP c1ccc(CCCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000480558811 1034314056 /nfs/dbraw/zinc/31/40/56/1034314056.db2.gz SUYOXROPGQPRCA-HXUWFJFHSA-N 2 0 300.490 3.960 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000480630568 1034351180 /nfs/dbraw/zinc/35/11/80/1034351180.db2.gz KEXJADJRDCFYIO-LPHOPBHVSA-N 2 0 316.489 3.927 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000480630567 1034353123 /nfs/dbraw/zinc/35/31/23/1034353123.db2.gz KEXJADJRDCFYIO-APWZRJJASA-N 2 0 316.489 3.927 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000480632866 1034367170 /nfs/dbraw/zinc/36/71/70/1034367170.db2.gz VWRGHYWNFZBQLF-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP CCN1CCC([N@H+](C)CCn2ccc3cc(Cl)ccc32)CC1 ZINC000554938063 1034430438 /nfs/dbraw/zinc/43/04/38/1034430438.db2.gz CSYAGUGSRPWJIR-UHFFFAOYSA-N 2 0 319.880 3.711 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000184262548 1034457689 /nfs/dbraw/zinc/45/76/89/1034457689.db2.gz FOYRKPKMPRPDNI-KRWDZBQOSA-N 2 0 309.457 3.837 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1)CC1CC1 ZINC000480884310 1034493734 /nfs/dbraw/zinc/49/37/34/1034493734.db2.gz XFBJHDJAGFJHSQ-IBGZPJMESA-N 2 0 322.537 3.778 20 0 DHADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480893777 1034497102 /nfs/dbraw/zinc/49/71/02/1034497102.db2.gz DNMLGPKOKULEPT-IRXDYDNUSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)(C[NH2+]Cc1cccc(-c2cccnc2)c1)C[NH+]1CCCC1 ZINC000480916791 1034506027 /nfs/dbraw/zinc/50/60/27/1034506027.db2.gz VXKCAPLDPFIBGU-UHFFFAOYSA-N 2 0 323.484 3.960 20 0 DHADRP CCC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccnc1 ZINC000185459215 1034549263 /nfs/dbraw/zinc/54/92/63/1034549263.db2.gz NTLRWPOTLKTPHW-LJQANCHMSA-N 2 0 315.436 3.913 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000481032214 1034555875 /nfs/dbraw/zinc/55/58/75/1034555875.db2.gz DLXWKUSJZXMUMO-CLCXKQKWSA-N 2 0 304.453 3.771 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000481024494 1034558460 /nfs/dbraw/zinc/55/84/60/1034558460.db2.gz OUEIZHRNTDOOGS-UYAOXDASSA-N 2 0 300.490 3.638 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)c1 ZINC000667822180 1034599711 /nfs/dbraw/zinc/59/97/11/1034599711.db2.gz ZZIKWFUGDBIMAW-NJAFHUGGSA-N 2 0 304.503 3.738 20 0 DHADRP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c(C4CCC4)c3)cc2)CC1 ZINC001174814961 1034616797 /nfs/dbraw/zinc/61/67/97/1034616797.db2.gz UWIYJKKZBFWQQZ-UHFFFAOYSA-N 2 0 322.456 3.845 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000865508487 1034681885 /nfs/dbraw/zinc/68/18/85/1034681885.db2.gz IVEORCMMMJXGPU-UHFFFAOYSA-N 2 0 309.523 3.651 20 0 DHADRP CC(C)(Cc1cccc(F)c1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365778 1034758577 /nfs/dbraw/zinc/75/85/77/1034758577.db2.gz WQDLVCKJESMPEH-UHFFFAOYSA-N 2 0 304.453 3.611 20 0 DHADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192516858 1034806903 /nfs/dbraw/zinc/80/69/03/1034806903.db2.gz ZUKAANXMRCTONE-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000192519702 1034808787 /nfs/dbraw/zinc/80/87/87/1034808787.db2.gz UDBUHWHQDIIVEL-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000481711590 1034949952 /nfs/dbraw/zinc/94/99/52/1034949952.db2.gz FKZPGRYKAGBEJA-QGZVFWFLSA-N 2 0 324.534 3.611 20 0 DHADRP c1cc(-c2ccccc2)sc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629509618 1034971859 /nfs/dbraw/zinc/97/18/59/1034971859.db2.gz FYTMMDFQOWVLAN-BRWVUGGUSA-N 2 0 312.482 3.893 20 0 DHADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCN1C(C)C ZINC001175601800 1035039491 /nfs/dbraw/zinc/03/94/91/1035039491.db2.gz SYXPEXIVZSWDNW-HXUWFJFHSA-N 2 0 323.569 3.549 20 0 DHADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000482067074 1035052472 /nfs/dbraw/zinc/05/24/72/1035052472.db2.gz IIBBCSMGTPFROS-RZZCCWGQSA-N 2 0 322.855 3.884 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000482078686 1035057939 /nfs/dbraw/zinc/05/79/39/1035057939.db2.gz GSZRXGMJOSYKTO-MKSNKDDYSA-N 2 0 304.453 3.782 20 0 DHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000629532318 1035101130 /nfs/dbraw/zinc/10/11/30/1035101130.db2.gz VECJBCPLVUTFAK-KRWDZBQOSA-N 2 0 315.505 3.589 20 0 DHADRP C[C@@H]1C[N@H+](CCSC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001175775725 1035118250 /nfs/dbraw/zinc/11/82/50/1035118250.db2.gz UGNWGYRBSYNAMJ-MRXNPFEDSA-N 2 0 319.518 3.658 20 0 DHADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000482618785 1035147467 /nfs/dbraw/zinc/14/74/67/1035147467.db2.gz IAEZNOWCZXWVTH-QZTJIDSGSA-N 2 0 321.553 3.636 20 0 DHADRP CCc1cccc2cc(C[N@H+](C)[C@H]3CCN(C)C[C@H]3C)oc21 ZINC000668172193 1035204563 /nfs/dbraw/zinc/20/45/63/1035204563.db2.gz HGSOLXNPDSUOGQ-KDOFPFPSSA-N 2 0 300.446 3.767 20 0 DHADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000483188234 1035239589 /nfs/dbraw/zinc/23/95/89/1035239589.db2.gz ARWZAZXLDXPLKR-KBXCAEBGSA-N 2 0 304.478 3.734 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483424458 1035268655 /nfs/dbraw/zinc/26/86/55/1035268655.db2.gz DWLXNGIXAKFSRO-OALUTQOASA-N 2 0 304.453 3.664 20 0 DHADRP CCc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1 ZINC001204177634 1035328528 /nfs/dbraw/zinc/32/85/28/1035328528.db2.gz XQNCQZOLWKYBHZ-UHFFFAOYSA-N 2 0 300.490 3.803 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(O)c1 ZINC000194852749 1035334190 /nfs/dbraw/zinc/33/41/90/1035334190.db2.gz MHWYJWNFZHXCGE-ZACQAIPSSA-N 2 0 304.478 3.801 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000484468687 1035337090 /nfs/dbraw/zinc/33/70/90/1035337090.db2.gz CIFDEWMDZZECSS-JQHSSLGASA-N 2 0 304.478 3.999 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC001177061730 1035346856 /nfs/dbraw/zinc/34/68/56/1035346856.db2.gz SQHFGEHPQUROFL-SFHVURJKSA-N 2 0 310.526 3.970 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000484500637 1035347390 /nfs/dbraw/zinc/34/73/90/1035347390.db2.gz NZKJLTUWSFVRNP-MDZRGWNJSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC001177299665 1035360799 /nfs/dbraw/zinc/36/07/99/1035360799.db2.gz YMUHLJPHDSYNGO-MPNRVQBSSA-N 2 0 304.453 3.941 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC001177669100 1035386098 /nfs/dbraw/zinc/38/60/98/1035386098.db2.gz PRGOPQQMUYPRMZ-LJQANCHMSA-N 2 0 312.501 3.863 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)C(C)(C)C ZINC001177822203 1035392233 /nfs/dbraw/zinc/39/22/33/1035392233.db2.gz IFPQUZKMBXGALE-RBUKOAKNSA-N 2 0 302.506 3.890 20 0 DHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904336317 1035401504 /nfs/dbraw/zinc/40/15/04/1035401504.db2.gz NRSQUDKOQCAPNZ-SLEUVZQESA-N 2 0 312.379 3.968 20 0 DHADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H](O)c1ccc2ccccc2c1 ZINC000904360652 1035403683 /nfs/dbraw/zinc/40/36/83/1035403683.db2.gz NJGGNVUFJLCZPE-RBUKOAKNSA-N 2 0 314.473 3.616 20 0 DHADRP CC(C)(C[NH3+])C1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904446028 1035416171 /nfs/dbraw/zinc/41/61/71/1035416171.db2.gz WOSONQUARUXXPO-UHFFFAOYSA-N 2 0 314.395 3.960 20 0 DHADRP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206326288 1035424888 /nfs/dbraw/zinc/42/48/88/1035424888.db2.gz MILSRARJAHVQMZ-OAHLLOKOSA-N 2 0 316.276 3.648 20 0 DHADRP COc1cc[nH+]c(NCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001178383008 1035425209 /nfs/dbraw/zinc/42/52/09/1035425209.db2.gz UCRZDVYRPNWIKM-UHFFFAOYSA-N 2 0 313.445 3.660 20 0 DHADRP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC001178518952 1035433198 /nfs/dbraw/zinc/43/31/98/1035433198.db2.gz FYXQCWOOWCJSHW-MOPGFXCFSA-N 2 0 302.506 3.964 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CSC1(C)C ZINC001178554156 1035436939 /nfs/dbraw/zinc/43/69/39/1035436939.db2.gz XOZJUBLEKGIKGZ-MRXNPFEDSA-N 2 0 306.519 3.628 20 0 DHADRP CC(C)(C[NH2+]C1CCc2ccccc2CC1)C[NH+]1CCCC1 ZINC001178615097 1035439405 /nfs/dbraw/zinc/43/94/05/1035439405.db2.gz QWAKXOOMSFVQRH-UHFFFAOYSA-N 2 0 300.490 3.646 20 0 DHADRP Cc1cc2c(cc1-c1cccc(Cn3ccnc3)c1)C[NH2+]CC2 ZINC000904754850 1035447853 /nfs/dbraw/zinc/44/78/53/1035447853.db2.gz YJRLXQVIOIDZKM-UHFFFAOYSA-N 2 0 303.409 3.553 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cc3ccccc3n2C)CC1 ZINC001179278016 1035473503 /nfs/dbraw/zinc/47/35/03/1035473503.db2.gz QGAZCARVTIJGDD-UHFFFAOYSA-N 2 0 313.489 3.778 20 0 DHADRP Cc1cccc(OCCC[NH2+]C2CC[NH+](C(C)C)CC2)c1C ZINC000494506981 1035529867 /nfs/dbraw/zinc/52/98/67/1035529867.db2.gz GBRCOWGVGFLKAC-UHFFFAOYSA-N 2 0 304.478 3.535 20 0 DHADRP CC[C@H](C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1)c1ccccc1 ZINC001180081972 1035586702 /nfs/dbraw/zinc/58/67/02/1035586702.db2.gz PBZBLCTVTAPGPW-UYAOXDASSA-N 2 0 318.505 3.613 20 0 DHADRP C[C@H](c1nccc2ccccc21)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001180082990 1035590734 /nfs/dbraw/zinc/59/07/34/1035590734.db2.gz VKPXVWCOIIFBNJ-AEFFLSMTSA-N 2 0 323.484 3.960 20 0 DHADRP C[NH+](C)CCCOc1ccc(CN2Cc3ccccc3C2)cc1 ZINC001204267436 1035664547 /nfs/dbraw/zinc/66/45/47/1035664547.db2.gz SFKJICDJDREOLW-UHFFFAOYSA-N 2 0 310.441 3.533 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2Cl)CC[C@H]1C[NH3+] ZINC001205638809 1035702752 /nfs/dbraw/zinc/70/27/52/1035702752.db2.gz SEMYDMKIZOHDBM-MNOVXSKESA-N 2 0 319.251 3.939 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000539510325 1035762485 /nfs/dbraw/zinc/76/24/85/1035762485.db2.gz WJZXLAAARWHONU-IBGZPJMESA-N 2 0 302.437 3.909 20 0 DHADRP C[C@H](CC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)[NH+]1CCCCC1 ZINC001180812436 1035767448 /nfs/dbraw/zinc/76/74/48/1035767448.db2.gz ZTVSRQPRKNGLMU-IKGGRYGDSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)C[NH+]1CCCCC1 ZINC000192704015 1035810742 /nfs/dbraw/zinc/81/07/42/1035810742.db2.gz MZBGYMXFWNUDTQ-QFBILLFUSA-N 2 0 301.478 3.645 20 0 DHADRP Fc1cccc(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000485716126 1035901463 /nfs/dbraw/zinc/90/14/63/1035901463.db2.gz KVIWFUFRALUSPY-UHFFFAOYSA-N 2 0 304.453 3.566 20 0 DHADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC001181458272 1035918424 /nfs/dbraw/zinc/91/84/24/1035918424.db2.gz UPZLWSYMXJVUPB-MOPGFXCFSA-N 2 0 318.530 3.902 20 0 DHADRP CCCC[C@@H](CC)CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000539949895 1035939030 /nfs/dbraw/zinc/93/90/30/1035939030.db2.gz FDOJRTIWDLAMSQ-QZTJIDSGSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660006487 1035946733 /nfs/dbraw/zinc/94/67/33/1035946733.db2.gz OTHWPUWPZROTJC-AEFFLSMTSA-N 2 0 308.510 3.530 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC001194504648 1035950431 /nfs/dbraw/zinc/95/04/31/1035950431.db2.gz ASDQKESLVPSAAJ-RTBURBONSA-N 2 0 302.437 3.621 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194026881 1035966717 /nfs/dbraw/zinc/96/67/17/1035966717.db2.gz BYRDNCDYHZWDGR-SFHVURJKSA-N 2 0 324.896 3.739 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C(C)(C)C)[C@H](C)C1 ZINC000540175879 1035994358 /nfs/dbraw/zinc/99/43/58/1035994358.db2.gz ZNHROEHVFIDITE-SJLPKXTDSA-N 2 0 318.505 3.683 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CS1 ZINC000754141495 1036024486 /nfs/dbraw/zinc/02/44/86/1036024486.db2.gz DVHQDGBJGIMVTG-IKJBURDNSA-N 2 0 310.551 3.903 20 0 DHADRP Cc1ccc2oc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000668580116 1036108243 /nfs/dbraw/zinc/10/82/43/1036108243.db2.gz IJDUHXTYAKHNBM-UHFFFAOYSA-N 2 0 321.424 3.895 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494984507 1036164883 /nfs/dbraw/zinc/16/48/83/1036164883.db2.gz FXPUCJAMVSIUMJ-SJLPKXTDSA-N 2 0 310.551 3.716 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CCCCC3)C2)c1C ZINC000541277803 1036278164 /nfs/dbraw/zinc/27/81/64/1036278164.db2.gz LYOWITKFYHGDPF-KRWDZBQOSA-N 2 0 309.457 3.916 20 0 DHADRP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195534435 1036278301 /nfs/dbraw/zinc/27/83/01/1036278301.db2.gz CYDASKQOGXVQMA-FQEVSTJZSA-N 2 0 307.441 3.671 20 0 DHADRP c1ccc(CCCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001195536044 1036279306 /nfs/dbraw/zinc/27/93/06/1036279306.db2.gz NERLJSDQPREGLQ-UHFFFAOYSA-N 2 0 309.457 3.617 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1C ZINC000541277806 1036280158 /nfs/dbraw/zinc/28/01/58/1036280158.db2.gz LYOWITKFYHGDPF-QGZVFWFLSA-N 2 0 309.457 3.916 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000541568639 1036365713 /nfs/dbraw/zinc/36/57/13/1036365713.db2.gz ZQQJQRDFOFVDBZ-CRAIPNDOSA-N 2 0 322.518 3.563 20 0 DHADRP COc1ccccc1C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000541633812 1036387880 /nfs/dbraw/zinc/38/78/80/1036387880.db2.gz WBUXTSAFAONISX-RTBURBONSA-N 2 0 318.505 3.726 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000541774314 1036428477 /nfs/dbraw/zinc/42/84/77/1036428477.db2.gz SUJLULSXYMHMKS-ARJAWSKDSA-N 2 0 308.416 3.642 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000541882369 1036451843 /nfs/dbraw/zinc/45/18/43/1036451843.db2.gz GVXRYHGVIDSZQM-HLAWJBBLSA-N 2 0 324.468 3.631 20 0 DHADRP CC(C)(C)C1CCC(O)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000541909564 1036458446 /nfs/dbraw/zinc/45/84/46/1036458446.db2.gz IIUMGSLEMHHOLI-UHFFFAOYSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)C1 ZINC000486952107 1036474156 /nfs/dbraw/zinc/47/41/56/1036474156.db2.gz XFSQTVKSWMSMQW-VQIMIIECSA-N 2 0 318.530 3.761 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000486975927 1036493020 /nfs/dbraw/zinc/49/30/20/1036493020.db2.gz YAIRSYCFKZPUNP-QFBILLFUSA-N 2 0 318.530 3.904 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC1 ZINC001183123261 1036520763 /nfs/dbraw/zinc/52/07/63/1036520763.db2.gz NDAHJYBTYSFDRN-SAABIXHNSA-N 2 0 304.503 3.631 20 0 DHADRP COC1(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCCCCC1 ZINC001183255920 1036555743 /nfs/dbraw/zinc/55/57/43/1036555743.db2.gz HXNSLHQCYNIXNW-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP COc1ccc(F)c(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC001183512120 1036617182 /nfs/dbraw/zinc/61/71/82/1036617182.db2.gz YIRLOJDIGQFYIV-UHFFFAOYSA-N 2 0 308.441 3.532 20 0 DHADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001196888787 1036631764 /nfs/dbraw/zinc/63/17/64/1036631764.db2.gz OVOXNGLQRXXSLG-MIALQEHNSA-N 2 0 316.489 3.574 20 0 DHADRP Clc1ccc([C@@H]2C[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372662 1036640336 /nfs/dbraw/zinc/64/03/36/1036640336.db2.gz ZUEDLCSYYBNZIP-ROUUACIJSA-N 2 0 304.865 3.660 20 0 DHADRP Cc1cc(CN2CCC[C@@](C)([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205280474 1036649448 /nfs/dbraw/zinc/64/94/48/1036649448.db2.gz ADZJUKDBTWJGAG-OAHLLOKOSA-N 2 0 300.368 3.717 20 0 DHADRP CCOc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1F ZINC000487297884 1036651212 /nfs/dbraw/zinc/65/12/12/1036651212.db2.gz LPPGJRMMMOYIMX-UHFFFAOYSA-N 2 0 322.468 3.970 20 0 DHADRP CC(C)C[N@@H+](Cc1ccc(F)cc1F)CC1CC[NH+](C)CC1 ZINC001197193606 1036702436 /nfs/dbraw/zinc/70/24/36/1036702436.db2.gz CVXIJGQVIUYKHP-UHFFFAOYSA-N 2 0 310.432 3.765 20 0 DHADRP CCOc1ccc(CC[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC001184143609 1036748580 /nfs/dbraw/zinc/74/85/80/1036748580.db2.gz UZIAVHYXCCYUAZ-UHFFFAOYSA-N 2 0 318.505 3.728 20 0 DHADRP CC[NH+](CC)CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC001184339710 1036816263 /nfs/dbraw/zinc/81/62/63/1036816263.db2.gz RTUCSZKEIXIPSG-NSHGMRRFSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000668818986 1036835127 /nfs/dbraw/zinc/83/51/27/1036835127.db2.gz MFLWVILAAIQPPL-GOEBONIOSA-N 2 0 322.443 3.780 20 0 DHADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000153604383 1036893687 /nfs/dbraw/zinc/89/36/87/1036893687.db2.gz IAXKCUKFUBFUIR-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccs4)cc3)C[C@]2(C)C1 ZINC001198260841 1036977913 /nfs/dbraw/zinc/97/79/13/1036977913.db2.gz RXUDYOODUSZXPN-MJGOQNOKSA-N 2 0 312.482 3.799 20 0 DHADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1C ZINC000488569027 1037076958 /nfs/dbraw/zinc/07/69/58/1037076958.db2.gz NBKSNIBICVAJKY-JOCHJYFZSA-N 2 0 322.496 3.958 20 0 DHADRP FCCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309983926 1037201469 /nfs/dbraw/zinc/20/14/69/1037201469.db2.gz WLDDBIOBTUKLHL-OALUTQOASA-N 2 0 304.453 3.580 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2sc(Cl)c3ccccc32)CC1 ZINC001235679654 1037227142 /nfs/dbraw/zinc/22/71/42/1037227142.db2.gz MHLBTQSNCKTTBZ-UHFFFAOYSA-N 2 0 308.878 3.986 20 0 DHADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001199385003 1037254680 /nfs/dbraw/zinc/25/46/80/1037254680.db2.gz YMTPEECMWHIHLD-PXNSSMCTSA-N 2 0 316.489 3.709 20 0 DHADRP COCc1c(C)cc(C)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1C ZINC001199403625 1037261444 /nfs/dbraw/zinc/26/14/44/1037261444.db2.gz XDUBAAGBBURWDA-OAHLLOKOSA-N 2 0 318.505 3.580 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000774950176 1037266537 /nfs/dbraw/zinc/26/65/37/1037266537.db2.gz MAILYABEHHEAJW-FQEVSTJZSA-N 2 0 314.473 3.701 20 0 DHADRP COCCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000178455349 1037318623 /nfs/dbraw/zinc/31/86/23/1037318623.db2.gz ZZOKAOMTQHNCPJ-QUCCMNQESA-N 2 0 318.505 3.864 20 0 DHADRP CCCC[NH+]1CCC(NCc2cc3cc(F)ccc3o2)CC1 ZINC001199783571 1037337745 /nfs/dbraw/zinc/33/77/45/1037337745.db2.gz FXEHXJHPJYZDFL-UHFFFAOYSA-N 2 0 304.409 3.926 20 0 DHADRP CC[C@@H]([NH2+]C1CCN(CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152626675 1037473795 /nfs/dbraw/zinc/47/37/95/1037473795.db2.gz VRFOHWRVXGGJHW-GOSISDBHSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CCc1ccc(Cl)cc1Cl ZINC001205903534 1037481982 /nfs/dbraw/zinc/48/19/82/1037481982.db2.gz QBTHWKLVZANMFQ-WCQYABFASA-N 2 0 301.261 3.595 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001200942419 1037483381 /nfs/dbraw/zinc/48/33/81/1037483381.db2.gz QZIJMTTUZGDIID-DFQSSKMNSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493883638 1037582301 /nfs/dbraw/zinc/58/23/01/1037582301.db2.gz QMXQBJLIOQQMOA-WJFTUGDTSA-N 2 0 320.521 3.578 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000493904663 1037586059 /nfs/dbraw/zinc/58/60/59/1037586059.db2.gz DZEUEMPNPKSOLK-FQEVSTJZSA-N 2 0 324.468 3.622 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000493893400 1037590653 /nfs/dbraw/zinc/59/06/53/1037590653.db2.gz FUKHORSHMKHTIG-QUCCMNQESA-N 2 0 318.505 3.864 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000398148539 1037593526 /nfs/dbraw/zinc/59/35/26/1037593526.db2.gz OQQABTFQDJXIJT-SJLPKXTDSA-N 2 0 318.530 3.772 20 0 DHADRP CC1(C)[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@@H]2CCCO[C@@H]21 ZINC000776155587 1037605726 /nfs/dbraw/zinc/60/57/26/1037605726.db2.gz FWRNDVXDEWKFFH-OTWHNJEPSA-N 2 0 322.537 3.826 20 0 DHADRP CCC[NH+](CCC)CCCN1CC[NH+](CC2CCCCC2)CC1 ZINC001201401432 1037632890 /nfs/dbraw/zinc/63/28/90/1037632890.db2.gz HLRXUEJIVGAXDM-UHFFFAOYSA-N 2 0 323.569 3.696 20 0 DHADRP C[C@H](CC1CCC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671302479 1037649708 /nfs/dbraw/zinc/64/97/08/1037649708.db2.gz OMFDRHJOSHQSSW-MRXNPFEDSA-N 2 0 316.489 3.828 20 0 DHADRP CC(C)Oc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000494186148 1037665111 /nfs/dbraw/zinc/66/51/11/1037665111.db2.gz PXEGIFVVGRJXDL-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C12CCCCC2 ZINC000776171622 1037676455 /nfs/dbraw/zinc/67/64/55/1037676455.db2.gz UNGGRZRHFZUSQL-WZOJCFFYSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001201470762 1037735167 /nfs/dbraw/zinc/73/51/67/1037735167.db2.gz LQBUAZKBVIBGCN-JQHSSLGASA-N 2 0 306.519 3.936 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1F ZINC000658356107 1037748773 /nfs/dbraw/zinc/74/87/73/1037748773.db2.gz HCEUTAGNZISPIL-CQSZACIVSA-N 2 0 320.452 3.607 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201572571 1037784993 /nfs/dbraw/zinc/78/49/93/1037784993.db2.gz PGCWOOBSBYBIAP-KRWDZBQOSA-N 2 0 310.526 3.778 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3ccc4sccc4c3)cc[nH+]2)CC1 ZINC001201667264 1037822630 /nfs/dbraw/zinc/82/26/30/1037822630.db2.gz FCTARBBPJZXUTI-UHFFFAOYSA-N 2 0 324.453 3.792 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000037644641 1037836818 /nfs/dbraw/zinc/83/68/18/1037836818.db2.gz WJTSDFUVUGDDML-GXTWGEPZSA-N 2 0 309.523 3.741 20 0 DHADRP c1c(C[NH+]2CCC3(CCCCC3)CC2)sc2c1C[NH2+]CC2 ZINC001205171789 1037845531 /nfs/dbraw/zinc/84/55/31/1037845531.db2.gz ZLZCOGXEYWVTCE-UHFFFAOYSA-N 2 0 304.503 3.940 20 0 DHADRP CCCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001201727219 1037854033 /nfs/dbraw/zinc/85/40/33/1037854033.db2.gz ODGQVTRCJDECPG-QGZVFWFLSA-N 2 0 320.477 3.525 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000124166541 1037884236 /nfs/dbraw/zinc/88/42/36/1037884236.db2.gz KIPPFTXCEWQFDZ-IRXDYDNUSA-N 2 0 304.478 3.714 20 0 DHADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3CC3)C[C@H]21 ZINC001201918335 1037938630 /nfs/dbraw/zinc/93/86/30/1037938630.db2.gz IUKSWGPBXWZEKA-KBAYOESNSA-N 2 0 304.503 3.690 20 0 DHADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3CC3)C[C@@H]21 ZINC001201918336 1037939541 /nfs/dbraw/zinc/93/95/41/1037939541.db2.gz IUKSWGPBXWZEKA-RYQLBKOJSA-N 2 0 304.503 3.690 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCSCC1 ZINC000187536048 1037976614 /nfs/dbraw/zinc/97/66/14/1037976614.db2.gz GEQYQWFORAWPRC-YQQAZPJKSA-N 2 0 310.551 3.761 20 0 DHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC=C(C)C)CC1 ZINC001201989528 1037978892 /nfs/dbraw/zinc/97/88/92/1037978892.db2.gz PEAJTJPARWTSFY-UHFFFAOYSA-N 2 0 315.505 3.665 20 0 DHADRP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000163766189 1037981448 /nfs/dbraw/zinc/98/14/48/1037981448.db2.gz JWQBTUGTERXVTA-UHFFFAOYSA-N 2 0 304.331 3.546 20 0 DHADRP Cc1oc(C(C)(C)C)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC001202219283 1038111420 /nfs/dbraw/zinc/11/14/20/1038111420.db2.gz FKFFSOSTHLDPSY-UHFFFAOYSA-N 2 0 304.478 3.850 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000571492456 1038148583 /nfs/dbraw/zinc/14/85/83/1038148583.db2.gz ZQOWOBRWSKCPIU-UHFFFAOYSA-N 2 0 300.446 3.985 20 0 DHADRP Cc1csc(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000157227996 1038271886 /nfs/dbraw/zinc/27/18/86/1038271886.db2.gz RFHZELSPAMAJAG-UHFFFAOYSA-N 2 0 321.534 3.771 20 0 DHADRP C[C@@H]1C[C@H](C)[NH+](Cc2cncc(C[N@@H+]3C[C@H](C)C[C@H]3C)c2)C1 ZINC000572453919 1038380104 /nfs/dbraw/zinc/38/01/04/1038380104.db2.gz WMRJRQDQNHQEHC-VQHPVUNQSA-N 2 0 301.478 3.542 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCSC2)ccc1OC ZINC000775412982 1038384748 /nfs/dbraw/zinc/38/47/48/1038384748.db2.gz SXLUNXVYBFTEOM-WMLDXEAASA-N 2 0 322.518 3.693 20 0 DHADRP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546819 1038408628 /nfs/dbraw/zinc/40/86/28/1038408628.db2.gz YVTVSFRQFPSHBS-SJLPKXTDSA-N 2 0 316.505 3.761 20 0 DHADRP C[C@H]1SCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C ZINC001191022161 1038421407 /nfs/dbraw/zinc/42/14/07/1038421407.db2.gz PWSPZKKPZHUYHS-IAGOWNOFSA-N 2 0 318.530 3.998 20 0 DHADRP C[N@H+](CCc1ccccc1Cl)C1CC[NH+](CC2CC2)CC1 ZINC001168391019 1038486747 /nfs/dbraw/zinc/48/67/47/1038486747.db2.gz KIFXYOKEJANDNK-UHFFFAOYSA-N 2 0 306.881 3.689 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000589638309 1038525526 /nfs/dbraw/zinc/52/55/26/1038525526.db2.gz UEAWXCIZZXFNOL-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H](OC)C2CCC2)CC1)CC(C)C ZINC001192490910 1038664730 /nfs/dbraw/zinc/66/47/30/1038664730.db2.gz VJJYYTCRXFQUHM-HXUWFJFHSA-N 2 0 324.553 3.882 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205605112 1038696476 /nfs/dbraw/zinc/69/64/76/1038696476.db2.gz ZABWHBLJEXIJRF-WCQYABFASA-N 2 0 318.358 3.651 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000590786402 1038705126 /nfs/dbraw/zinc/70/51/26/1038705126.db2.gz BTNIGTDLFJTNMU-UHFFFAOYSA-N 2 0 324.896 3.771 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000573338602 1038914776 /nfs/dbraw/zinc/91/47/76/1038914776.db2.gz SMEHOWVPGNZFDI-ZWKOTPCHSA-N 2 0 310.441 3.592 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000760874901 1038966378 /nfs/dbraw/zinc/96/63/78/1038966378.db2.gz FBHLDBRTUVJOGV-LJQANCHMSA-N 2 0 304.453 3.880 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000480500664 1039421349 /nfs/dbraw/zinc/42/13/49/1039421349.db2.gz LYZHBMKCWZWRPJ-UHFFFAOYSA-N 2 0 316.489 3.622 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)c2cccs2)cc1 ZINC000604891921 1039572749 /nfs/dbraw/zinc/57/27/49/1039572749.db2.gz ACEBSGWZJRNZOS-UHFFFAOYSA-N 2 0 318.486 3.713 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000574652315 1039754103 /nfs/dbraw/zinc/75/41/03/1039754103.db2.gz XIDBGUUJXVQOAM-SOLBZPMBSA-N 2 0 315.848 3.684 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168406382 1040157199 /nfs/dbraw/zinc/15/71/99/1040157199.db2.gz YVMAEJHJMACCOS-HNAYVOBHSA-N 2 0 306.469 3.783 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168406380 1040158399 /nfs/dbraw/zinc/15/83/99/1040158399.db2.gz YVMAEJHJMACCOS-BEFAXECRSA-N 2 0 306.469 3.783 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000608061492 1040358388 /nfs/dbraw/zinc/35/83/88/1040358388.db2.gz WEEBHWAIUKRIOR-LPHOPBHVSA-N 2 0 324.468 3.935 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCCCC1 ZINC000608058334 1040373922 /nfs/dbraw/zinc/37/39/22/1040373922.db2.gz IZBFBGIVNSPOAG-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000057973610 334952963 /nfs/dbraw/zinc/95/29/63/334952963.db2.gz QQEXTOLXSVCMFL-UHFFFAOYSA-N 2 0 304.459 3.651 20 0 DHADRP C[C@@H](c1ccncc1)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091988929 193137787 /nfs/dbraw/zinc/13/77/87/193137787.db2.gz ZABXXYYOGUMVLG-ZBKUBXTQSA-N 2 0 324.472 3.719 20 0 DHADRP Cc1cccnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093171262 193210740 /nfs/dbraw/zinc/21/07/40/193210740.db2.gz ZFQYTJIPSHMDMX-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110644039 194346067 /nfs/dbraw/zinc/34/60/67/194346067.db2.gz SRUYKEQGPYRHJA-NWDGAFQWSA-N 2 0 311.267 3.569 20 0 DHADRP C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336859 130108326 /nfs/dbraw/zinc/10/83/26/130108326.db2.gz VIPIFJMBVJWEIR-ZBFHGGJFSA-N 2 0 315.486 3.945 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278490169 130696667 /nfs/dbraw/zinc/69/66/67/130696667.db2.gz PNNBWYIAQPWWQP-LJQANCHMSA-N 2 0 314.473 3.673 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278498064 130697155 /nfs/dbraw/zinc/69/71/55/130697155.db2.gz QGODIKJEKUQNDJ-HNNXBMFYSA-N 2 0 304.453 3.611 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000340185786 131022073 /nfs/dbraw/zinc/02/20/73/131022073.db2.gz VZEVPJXFVKTZED-QFBILLFUSA-N 2 0 316.489 3.718 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000285439178 131168320 /nfs/dbraw/zinc/16/83/20/131168320.db2.gz YZTHATABTUOXPW-LMDPOFIKSA-N 2 0 318.530 3.772 20 0 DHADRP Cc1ccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000285482336 131173694 /nfs/dbraw/zinc/17/36/94/131173694.db2.gz BQFPTVGIXODDCN-UHFFFAOYSA-N 2 0 323.484 3.923 20 0 DHADRP CC(C)SCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287115322 131264886 /nfs/dbraw/zinc/26/48/86/131264886.db2.gz QUTHRESYRDRVPO-REPLKXPHSA-N 2 0 318.530 3.913 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287305777 131274338 /nfs/dbraw/zinc/27/43/38/131274338.db2.gz DUDGGKMZTKLORH-JUFRUHRKSA-N 2 0 316.514 3.523 20 0 DHADRP C[C@@H](C[NH2+]CCCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000289044781 131354228 /nfs/dbraw/zinc/35/42/28/131354228.db2.gz AYYGAVZSPZLJGO-ZDUSSCGKSA-N 2 0 302.384 3.740 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)nc1C ZINC000289381448 131380777 /nfs/dbraw/zinc/38/07/77/131380777.db2.gz CNXPMFQUPFFKRL-UHFFFAOYSA-N 2 0 315.436 3.613 20 0 DHADRP Clc1cccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298238076 132052096 /nfs/dbraw/zinc/05/20/96/132052096.db2.gz CAIRZPFLZZIYHJ-UHFFFAOYSA-N 2 0 315.848 3.536 20 0 DHADRP Cc1cccnc1[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000298317996 132055650 /nfs/dbraw/zinc/05/56/50/132055650.db2.gz IFEROIRWFCIITL-IBGZPJMESA-N 2 0 324.472 3.741 20 0 DHADRP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298497464 132064924 /nfs/dbraw/zinc/06/49/24/132064924.db2.gz QFUCPNUVYAKBDJ-SFTDATJTSA-N 2 0 321.468 3.976 20 0 DHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000353625914 132134624 /nfs/dbraw/zinc/13/46/24/132134624.db2.gz HNHCHHMOQBJPRW-QGZVFWFLSA-N 2 0 322.518 3.563 20 0 DHADRP [NH3+]CC1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000044513323 132160182 /nfs/dbraw/zinc/16/01/82/132160182.db2.gz PRWBDOXQSYDJKX-UHFFFAOYSA-N 2 0 319.301 3.756 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000044516523 132160781 /nfs/dbraw/zinc/16/07/81/132160781.db2.gz VJRIRYPNTOQHGC-UHFFFAOYSA-N 2 0 300.471 3.847 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131817275 196201991 /nfs/dbraw/zinc/20/19/91/196201991.db2.gz QXXDHLCLRHLHMS-AYHJJNSGSA-N 2 0 324.468 3.953 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000570649459 332791159 /nfs/dbraw/zinc/79/11/59/332791159.db2.gz ORMOIEQNVGFGFL-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000318478550 332877927 /nfs/dbraw/zinc/87/79/27/332877927.db2.gz BEILFLLDLRGMEN-MRXNPFEDSA-N 2 0 300.490 3.948 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)ccc1F ZINC000317361441 331734976 /nfs/dbraw/zinc/73/49/76/331734976.db2.gz ZPUWKVZGQSWHMO-GJZGRUSLSA-N 2 0 308.441 3.607 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]CC2CC[NH2+]CC2)ccc1Cl ZINC000564822342 331751509 /nfs/dbraw/zinc/75/15/09/331751509.db2.gz LJWXSXKXPDRAMV-HNNXBMFYSA-N 2 0 324.896 3.785 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCCSC3)CC2)C1 ZINC000558238215 331886091 /nfs/dbraw/zinc/88/60/91/331886091.db2.gz PHBDMCGNIVRSEI-JFIYKMOQSA-N 2 0 310.551 3.762 20 0 DHADRP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000159343777 332078986 /nfs/dbraw/zinc/07/89/86/332078986.db2.gz NRQIQOVNOAJUAW-LJQANCHMSA-N 2 0 310.526 3.560 20 0 DHADRP CCC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000569471651 332098877 /nfs/dbraw/zinc/09/88/77/332098877.db2.gz KLFDWCNCVQIVHT-UHFFFAOYSA-N 2 0 317.521 3.837 20 0 DHADRP COc1ccc2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)ccc2c1 ZINC000092253451 332123060 /nfs/dbraw/zinc/12/30/60/332123060.db2.gz CYFWIWFQIXFFOQ-KRWDZBQOSA-N 2 0 312.457 3.622 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000449413467 332153216 /nfs/dbraw/zinc/15/32/16/332153216.db2.gz HDXIYKUZLVTDHZ-MRXNPFEDSA-N 2 0 310.526 3.823 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427109588 332168803 /nfs/dbraw/zinc/16/88/03/332168803.db2.gz HQYCHRFAOWASCC-AZUAARDMSA-N 2 0 322.452 3.546 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000448029047 332201662 /nfs/dbraw/zinc/20/16/62/332201662.db2.gz POMADZYFXRJOOQ-YLAKUSLOSA-N 2 0 300.490 3.986 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426048847 335095439 /nfs/dbraw/zinc/09/54/39/335095439.db2.gz JPOQIGKLUVMUPC-DOTOQJQBSA-N 2 0 318.461 3.749 20 0 DHADRP Clc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000536499163 332253189 /nfs/dbraw/zinc/25/31/89/332253189.db2.gz VWNLMZXRZGNUHW-KURKYZTESA-N 2 0 304.865 3.934 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000531104900 332263918 /nfs/dbraw/zinc/26/39/18/332263918.db2.gz RAJUBJPURLMPNG-MAUKXSAKSA-N 2 0 324.896 3.834 20 0 DHADRP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000262111036 332286262 /nfs/dbraw/zinc/28/62/62/332286262.db2.gz JTQUZKVLYMJHNG-VNQPRFMTSA-N 2 0 312.379 3.716 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000560021361 332302602 /nfs/dbraw/zinc/30/26/02/332302602.db2.gz FTAAZCWWNILVKZ-UONOGXRCSA-N 2 0 312.860 3.874 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1cccc(C)c1 ZINC000560544669 332356377 /nfs/dbraw/zinc/35/63/77/332356377.db2.gz RYGIRRFBSKIMNS-VBSBHUPXSA-N 2 0 316.489 3.615 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000562297048 332570608 /nfs/dbraw/zinc/57/06/08/332570608.db2.gz KJLHQEFSGSXDTG-JTQLQIEISA-N 2 0 321.412 3.544 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000179407880 333025381 /nfs/dbraw/zinc/02/53/81/333025381.db2.gz AHLLIENGHSEFCX-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CC1(SC)CCC1 ZINC000313809382 333070342 /nfs/dbraw/zinc/07/03/42/333070342.db2.gz VZANHIXMXBVIDJ-UHFFFAOYSA-N 2 0 306.519 3.904 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC000538283593 333150406 /nfs/dbraw/zinc/15/04/06/333150406.db2.gz QSLVJJNOAFQCJH-BQFCYCMXSA-N 2 0 304.478 3.603 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000309827031 333201241 /nfs/dbraw/zinc/20/12/41/333201241.db2.gz FDASZIPOSLXFOZ-RTBURBONSA-N 2 0 318.530 3.631 20 0 DHADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000310012769 333215664 /nfs/dbraw/zinc/21/56/64/333215664.db2.gz LMCLMQNCROONTJ-RBUKOAKNSA-N 2 0 312.482 3.702 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000319605980 333322558 /nfs/dbraw/zinc/32/25/58/333322558.db2.gz LYFJSAJSVCQASU-INIZCTEOSA-N 2 0 300.490 3.948 20 0 DHADRP CC[N@H+](Cc1cccc2nccn21)[C@@H]1CCCc2cccnc21 ZINC000365003470 333334195 /nfs/dbraw/zinc/33/41/95/333334195.db2.gz QRLBJCAGUDKJMA-QGZVFWFLSA-N 2 0 306.413 3.629 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)CCOc2ccccc2Cl)C[C@H]1C ZINC000531379058 333348033 /nfs/dbraw/zinc/34/80/33/333348033.db2.gz UEZDWXBCXNMVAP-HUUCEWRRSA-N 2 0 310.869 3.523 20 0 DHADRP Cc1ccc(-c2nc(CN3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000261930361 333380444 /nfs/dbraw/zinc/38/04/44/333380444.db2.gz JNHZOQSMCRXTHE-GDBMZVCRSA-N 2 0 315.486 3.678 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@@H]21 ZINC000563139040 333396232 /nfs/dbraw/zinc/39/62/32/333396232.db2.gz XUXHRWWWOJICMA-BHYGNILZSA-N 2 0 319.518 3.750 20 0 DHADRP c1sc2ccccc2c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197330 333446429 /nfs/dbraw/zinc/44/64/29/333446429.db2.gz LEVSVNJEJJBNFQ-QGZVFWFLSA-N 2 0 300.471 3.865 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531699824 333547197 /nfs/dbraw/zinc/54/71/97/333547197.db2.gz KOSWCPQOEWEJQQ-NUJGCVRESA-N 2 0 304.478 3.856 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCc2cscn2)CC1 ZINC000450715591 333610028 /nfs/dbraw/zinc/61/00/28/333610028.db2.gz JFMFPCFHGNNCIQ-UHFFFAOYSA-N 2 0 309.523 3.520 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000414315700 333938270 /nfs/dbraw/zinc/93/82/70/333938270.db2.gz SIQPOIXSRURHCR-NNZWXOEDSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000414370543 333946642 /nfs/dbraw/zinc/94/66/42/333946642.db2.gz WVCXDAZVEZYBDN-PKOBYXMFSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000414370541 333946645 /nfs/dbraw/zinc/94/66/45/333946645.db2.gz WVCXDAZVEZYBDN-IEBWSBKVSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cn1 ZINC000271379958 334022319 /nfs/dbraw/zinc/02/23/19/334022319.db2.gz QUYRGCOQXJLOSB-OAHLLOKOSA-N 2 0 313.420 3.667 20 0 DHADRP C[C@@H]([NH2+]CCCc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272527441 334036719 /nfs/dbraw/zinc/03/67/19/334036719.db2.gz AAUSUVFMEJMIGW-UYAOXDASSA-N 2 0 323.484 3.514 20 0 DHADRP CCSc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000414647714 334054245 /nfs/dbraw/zinc/05/42/45/334054245.db2.gz ABRZLAFRJPLMCS-GOSISDBHSA-N 2 0 304.503 3.763 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651336 334054985 /nfs/dbraw/zinc/05/49/85/334054985.db2.gz CBBWEHFIXLYFDH-NFAWXSAZSA-N 2 0 314.395 3.868 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000414680044 334067400 /nfs/dbraw/zinc/06/74/00/334067400.db2.gz XTHBMLHJXYGMRU-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000414680698 334067665 /nfs/dbraw/zinc/06/76/65/334067665.db2.gz NRIRVQRYNMAOGQ-QWHCGFSZSA-N 2 0 300.368 3.525 20 0 DHADRP CC[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414720191 334073722 /nfs/dbraw/zinc/07/37/22/334073722.db2.gz XLWKEJCILVFUFI-AWEZNQCLSA-N 2 0 316.367 3.549 20 0 DHADRP C[N@H+](Cc1ccc(-c2ccccc2F)o1)[C@H]1CCC[NH2+]CC1 ZINC000414748087 334084645 /nfs/dbraw/zinc/08/46/45/334084645.db2.gz IAHSBNMPZLDFOL-AWEZNQCLSA-N 2 0 302.393 3.660 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC000414755054 334085682 /nfs/dbraw/zinc/08/56/82/334085682.db2.gz OOQXVHDYDMWARC-GLJUWKHASA-N 2 0 308.416 3.880 20 0 DHADRP C[N@H+](Cc1ccc(-c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000414754358 334085752 /nfs/dbraw/zinc/08/57/52/334085752.db2.gz RXLNFAGPDCEKHD-INIZCTEOSA-N 2 0 300.471 3.989 20 0 DHADRP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000414772096 334089785 /nfs/dbraw/zinc/08/97/85/334089785.db2.gz SRNOBWKVNCWEQG-GASCZTMLSA-N 2 0 314.404 3.517 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414778536 334092810 /nfs/dbraw/zinc/09/28/10/334092810.db2.gz IZIXSLIINZNWNA-LEWJYISDSA-N 2 0 321.468 3.570 20 0 DHADRP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781487 334093561 /nfs/dbraw/zinc/09/35/61/334093561.db2.gz MZZGQXMCMVRMHE-CABCVRRESA-N 2 0 322.880 3.560 20 0 DHADRP CC(C)[C@@H]([NH3+])C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414797914 334100994 /nfs/dbraw/zinc/10/09/94/334100994.db2.gz PUPONBLXYUNEBW-HNNXBMFYSA-N 2 0 302.384 3.601 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414807826 334104206 /nfs/dbraw/zinc/10/42/06/334104206.db2.gz ROQODUCLQGWHFE-DGCLKSJQSA-N 2 0 318.795 3.549 20 0 DHADRP CC(C)Cc1ncc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000414807213 334104667 /nfs/dbraw/zinc/10/46/67/334104667.db2.gz ITPCOYQHSYWGMN-ZDUSSCGKSA-N 2 0 303.475 3.651 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])s2)cc1 ZINC000414811400 334105927 /nfs/dbraw/zinc/10/59/27/334105927.db2.gz WCJQNIROBOBGMI-DOTOQJQBSA-N 2 0 315.486 3.726 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000414816017 334106742 /nfs/dbraw/zinc/10/67/42/334106742.db2.gz YWGXLCPUCXVGOC-XGHQBKJUSA-N 2 0 323.484 3.631 20 0 DHADRP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1-c1cccs1 ZINC000414821738 334108429 /nfs/dbraw/zinc/10/84/29/334108429.db2.gz BXFIDXWWCRPWDH-CQSZACIVSA-N 2 0 304.434 3.643 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414827796 334109773 /nfs/dbraw/zinc/10/97/73/334109773.db2.gz YKHPUMIBZVKTFZ-JHJVBQTASA-N 2 0 315.288 3.902 20 0 DHADRP Fc1cccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)s2)c1 ZINC000414827344 334110209 /nfs/dbraw/zinc/11/02/09/334110209.db2.gz KKQZAZNSDAWTLF-ZDUSSCGKSA-N 2 0 304.434 3.643 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC3([NH3+])CCCCC3)CC2)cc1 ZINC000414838411 334112056 /nfs/dbraw/zinc/11/20/56/334112056.db2.gz HZDCTRYORIKQIA-UHFFFAOYSA-N 2 0 316.489 3.973 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414840162 334112408 /nfs/dbraw/zinc/11/24/08/334112408.db2.gz XYUCCAKUDATMRD-VQTPCSAVSA-N 2 0 304.865 3.849 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414848303 334120514 /nfs/dbraw/zinc/12/05/14/334120514.db2.gz GLCBKELVNCZNQK-APWZRJJASA-N 2 0 324.468 3.840 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414848304 334120609 /nfs/dbraw/zinc/12/06/09/334120609.db2.gz GLCBKELVNCZNQK-LPHOPBHVSA-N 2 0 324.468 3.840 20 0 DHADRP Cc1ccn2c(CNC[C@@H]([NH3+])c3ccc(C(C)C)cc3)cnc2c1 ZINC000414851734 334126033 /nfs/dbraw/zinc/12/60/33/334126033.db2.gz UUVLASXLQRSCRD-LJQANCHMSA-N 2 0 322.456 3.556 20 0 DHADRP C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000414853545 334127623 /nfs/dbraw/zinc/12/76/23/334127623.db2.gz KYKGGMKWVIOBCT-HOCLYGCPSA-N 2 0 300.471 3.893 20 0 DHADRP Fc1cccc(Oc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000414857870 334131466 /nfs/dbraw/zinc/13/14/66/334131466.db2.gz QJBAYOQRGFLVCQ-MRXNPFEDSA-N 2 0 314.404 3.707 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])CCCCCC3)CC2)C1 ZINC000414864572 334134877 /nfs/dbraw/zinc/13/48/77/334134877.db2.gz ZOIXAOKBWFDORT-IEBWSBKVSA-N 2 0 321.553 3.671 20 0 DHADRP CC(C)(C)c1ccc(C[NH2+]CCCNCc2cccnc2)cc1 ZINC000414873869 334144165 /nfs/dbraw/zinc/14/41/65/334144165.db2.gz HEZSFSWPYUWQRI-UHFFFAOYSA-N 2 0 311.473 3.649 20 0 DHADRP [NH3+][C@H](C[NH2+]CCCCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000414885819 334154147 /nfs/dbraw/zinc/15/41/47/334154147.db2.gz GTHVBIKQAMOEMB-OAHLLOKOSA-N 2 0 301.261 3.643 20 0 DHADRP [NH3+][C@H](C[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000414895262 334159714 /nfs/dbraw/zinc/15/97/14/334159714.db2.gz WNSYGHCEBJOMDN-LEWJYISDSA-N 2 0 308.469 3.557 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414908633 334171539 /nfs/dbraw/zinc/17/15/39/334171539.db2.gz QKQVAIIOKHZPCV-LSDHHAIUSA-N 2 0 300.368 3.670 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414927885 334190188 /nfs/dbraw/zinc/19/01/88/334190188.db2.gz AIPGOBUGOVYSSO-CZUORRHYSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293684548 334200827 /nfs/dbraw/zinc/20/08/27/334200827.db2.gz RQEMBXUKBFKWRB-RYRKJORJSA-N 2 0 316.489 3.566 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414943992 334203442 /nfs/dbraw/zinc/20/34/42/334203442.db2.gz OTOCQOMHOFHEQZ-AVRDEDQJSA-N 2 0 322.496 3.676 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000415083766 334272455 /nfs/dbraw/zinc/27/24/55/334272455.db2.gz NSMXHZKEZUQJSO-UHFFFAOYSA-N 2 0 301.261 3.643 20 0 DHADRP Fc1cc(-c2ccncc2)ccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414960987 334212388 /nfs/dbraw/zinc/21/23/88/334212388.db2.gz BBKQZUXJULJWPE-GOSISDBHSA-N 2 0 313.420 3.510 20 0 DHADRP Clc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c2ncccc12 ZINC000414976400 334222577 /nfs/dbraw/zinc/22/25/77/334222577.db2.gz PUZBBYBCPZBPSN-AWEZNQCLSA-N 2 0 303.837 3.510 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414976833 334222772 /nfs/dbraw/zinc/22/27/72/334222772.db2.gz QKMSCQKFBOBXBW-ZDUSSCGKSA-N 2 0 317.260 3.624 20 0 DHADRP c1ccc(OC2CCCC2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414980859 334225533 /nfs/dbraw/zinc/22/55/33/334225533.db2.gz WYTLUKGIWFZGEB-KRWDZBQOSA-N 2 0 302.462 3.630 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414986566 334228834 /nfs/dbraw/zinc/22/88/34/334228834.db2.gz IZSKANAAYSMGDG-KKUMJFAQSA-N 2 0 300.368 3.668 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(OC(F)F)cc1C ZINC000414988423 334229609 /nfs/dbraw/zinc/22/96/09/334229609.db2.gz FZIYPAAMVYTDBW-DZGCQCFKSA-N 2 0 312.404 3.512 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000414990267 334230294 /nfs/dbraw/zinc/23/02/94/334230294.db2.gz ICNOHEXNEKHGOE-ICSRJNTNSA-N 2 0 324.468 3.873 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414992000 334230745 /nfs/dbraw/zinc/23/07/45/334230745.db2.gz BKUYVSOMYPVIJF-HYEGPXJVSA-N 2 0 304.453 3.687 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000340538132 334233397 /nfs/dbraw/zinc/23/33/97/334233397.db2.gz TXMVMYWOMIAIFC-QFBILLFUSA-N 2 0 316.489 3.727 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000415000876 334239837 /nfs/dbraw/zinc/23/98/37/334239837.db2.gz UFZCFEUXXCREFZ-GXFFZTMASA-N 2 0 318.795 3.549 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415004180 334242925 /nfs/dbraw/zinc/24/29/25/334242925.db2.gz XTIKLERVECDVEH-JQWIXIFHSA-N 2 0 320.786 3.966 20 0 DHADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415010710 334257095 /nfs/dbraw/zinc/25/70/95/334257095.db2.gz GPNZJYBKEZKRBA-CVEARBPZSA-N 2 0 319.493 3.634 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CCCC[NH3+])s2)cc1 ZINC000415022422 334259548 /nfs/dbraw/zinc/25/95/48/334259548.db2.gz ZISRPECOBMBIGC-AWEZNQCLSA-N 2 0 303.475 3.726 20 0 DHADRP C[C@@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)[C@H](C)[NH3+] ZINC000415023251 334259594 /nfs/dbraw/zinc/25/95/94/334259594.db2.gz WJTHRQACJJBGPP-ZWKOTPCHSA-N 2 0 310.485 3.946 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000415028506 334259982 /nfs/dbraw/zinc/25/99/82/334259982.db2.gz YXMAPPGVYWWPCA-XYPYZODXSA-N 2 0 306.397 3.622 20 0 DHADRP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415028617 334259990 /nfs/dbraw/zinc/25/99/90/334259990.db2.gz ZEAMNOHODPOARW-GJZGRUSLSA-N 2 0 309.473 3.525 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415029932 334260060 /nfs/dbraw/zinc/26/00/60/334260060.db2.gz FCFTXBADXDVSEE-RKOGWWSCSA-N 2 0 316.489 3.827 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415037437 334260490 /nfs/dbraw/zinc/26/04/90/334260490.db2.gz MKIJXTYXKYCZMT-IFMALSPDSA-N 2 0 322.496 3.805 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415038515 334260689 /nfs/dbraw/zinc/26/06/89/334260689.db2.gz HWGWHJKRRAZSMD-YOEHRIQHSA-N 2 0 300.471 3.865 20 0 DHADRP CCCc1csc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000415045312 334261205 /nfs/dbraw/zinc/26/12/05/334261205.db2.gz BMBKWVNVNTZGLU-MRXNPFEDSA-N 2 0 303.475 3.665 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000415047662 334261399 /nfs/dbraw/zinc/26/13/99/334261399.db2.gz FJVOHSHIJXWMEU-IBGZPJMESA-N 2 0 320.440 3.647 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000415047663 334261481 /nfs/dbraw/zinc/26/14/81/334261481.db2.gz FJVOHSHIJXWMEU-LJQANCHMSA-N 2 0 320.440 3.647 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000415056298 334261641 /nfs/dbraw/zinc/26/16/41/334261641.db2.gz PUWFJPGQFQGHRV-INIZCTEOSA-N 2 0 308.347 3.674 20 0 DHADRP CC1(C)Cc2cccc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)c2O1 ZINC000415058173 334262103 /nfs/dbraw/zinc/26/21/03/334262103.db2.gz SXBPXTUHOGUUBQ-LJQANCHMSA-N 2 0 324.468 3.970 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000415077288 334268349 /nfs/dbraw/zinc/26/83/49/334268349.db2.gz HGTODWHNKIAKEL-NCXUSEDFSA-N 2 0 316.489 3.663 20 0 DHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000415125600 334283487 /nfs/dbraw/zinc/28/34/87/334283487.db2.gz OMOINEQMMFCOII-FPOVZHCZSA-N 2 0 324.468 3.558 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000415114306 334283538 /nfs/dbraw/zinc/28/35/38/334283538.db2.gz XITOTSOFOFJCHX-BFHYXJOUSA-N 2 0 314.395 3.787 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000535067062 334363093 /nfs/dbraw/zinc/36/30/93/334363093.db2.gz BNFVAYAHNNMJID-UHFFFAOYSA-N 2 0 314.477 3.507 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000535083215 334366553 /nfs/dbraw/zinc/36/65/53/334366553.db2.gz OGHAVLNGIDAANJ-UHFFFAOYSA-N 2 0 307.507 3.573 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000342822093 334581071 /nfs/dbraw/zinc/58/10/71/334581071.db2.gz FQFCFAZUKDRXDF-MRXNPFEDSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417336474 334709762 /nfs/dbraw/zinc/70/97/62/334709762.db2.gz VQFMBHJNKNJQDN-RRQGHBQHSA-N 2 0 304.503 3.704 20 0 DHADRP CCCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000343916529 335201911 /nfs/dbraw/zinc/20/19/11/335201911.db2.gz QZBVDNQHVVTLDB-HXUWFJFHSA-N 2 0 317.521 3.534 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000344020771 335209612 /nfs/dbraw/zinc/20/96/12/335209612.db2.gz MRTKMCJEEPGPCX-IBGZPJMESA-N 2 0 302.437 3.810 20 0 DHADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1Br ZINC000344293145 335237190 /nfs/dbraw/zinc/23/71/90/335237190.db2.gz HEPBVFRZUVIWOQ-MRXNPFEDSA-N 2 0 323.278 3.752 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000345188902 335306204 /nfs/dbraw/zinc/30/62/04/335306204.db2.gz FHZAYHXVUORKRP-IAGOWNOFSA-N 2 0 304.478 3.576 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346183612 335378796 /nfs/dbraw/zinc/37/87/96/335378796.db2.gz WKEKYANPNQJPED-QGZVFWFLSA-N 2 0 311.473 3.707 20 0 DHADRP CC[N@H+](CCc1ccccc1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346138821 335380105 /nfs/dbraw/zinc/38/01/05/335380105.db2.gz UKTWKQNHRAUXSG-UHFFFAOYSA-N 2 0 320.440 3.640 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000346142751 335380768 /nfs/dbraw/zinc/38/07/68/335380768.db2.gz CGNIFXZRQNJYER-FQEVSTJZSA-N 2 0 318.424 3.913 20 0 DHADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346212405 335391103 /nfs/dbraw/zinc/39/11/03/335391103.db2.gz XCAKFKBGPDWYGL-KXBFYZLASA-N 2 0 312.461 3.976 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000347013352 335459538 /nfs/dbraw/zinc/45/95/38/335459538.db2.gz HZVWBXJCVCNYAC-UHFFFAOYSA-N 2 0 317.864 3.710 20 0 DHADRP C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527349990 335831227 /nfs/dbraw/zinc/83/12/27/335831227.db2.gz YDIDHEXKLQCGJO-HNNXBMFYSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@@H](F)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000351716963 336061970 /nfs/dbraw/zinc/06/19/70/336061970.db2.gz BYQNMXAXRUZRSW-QGZVFWFLSA-N 2 0 304.453 3.723 20 0 DHADRP c1ccc(CSCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000192599019 336178638 /nfs/dbraw/zinc/17/86/38/336178638.db2.gz HDYGHBMMEFGHFR-IBGZPJMESA-N 2 0 318.530 3.870 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000352442851 336219317 /nfs/dbraw/zinc/21/93/17/336219317.db2.gz YKZMTESTSXGALO-MRXNPFEDSA-N 2 0 312.457 3.565 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540312 336223406 /nfs/dbraw/zinc/22/34/06/336223406.db2.gz JNVVXRKDDBGELD-MRXNPFEDSA-N 2 0 312.379 3.589 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352553647 336224333 /nfs/dbraw/zinc/22/43/33/336224333.db2.gz CUSGJNHAJVNPBQ-FCEWJHQRSA-N 2 0 322.468 3.756 20 0 DHADRP CCc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000352769911 336234155 /nfs/dbraw/zinc/23/41/55/336234155.db2.gz IXIFWLCNAVYHLH-UHFFFAOYSA-N 2 0 323.484 3.646 20 0 DHADRP CCc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000352744178 336234326 /nfs/dbraw/zinc/23/43/26/336234326.db2.gz YVNCNHJDEJRVTO-XLIONFOSSA-N 2 0 323.484 3.644 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000352754838 336235127 /nfs/dbraw/zinc/23/51/27/336235127.db2.gz KGELOLVBVRQFQW-QGZVFWFLSA-N 2 0 324.468 3.709 20 0 DHADRP CCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000352808605 336243691 /nfs/dbraw/zinc/24/36/91/336243691.db2.gz ALSCAKCEFGJAMO-UHFFFAOYSA-N 2 0 309.457 3.530 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)C1CCOCC1 ZINC000532454546 336248207 /nfs/dbraw/zinc/24/82/07/336248207.db2.gz SIXPILRAXLPCJJ-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP CCC[C@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000532455425 336248278 /nfs/dbraw/zinc/24/82/78/336248278.db2.gz KZMAZZWOZLSZDF-IBGZPJMESA-N 2 0 317.521 3.675 20 0 DHADRP c1cc2c(cccc2C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000192932605 336285040 /nfs/dbraw/zinc/28/50/40/336285040.db2.gz KZKMNJVVKHCCRJ-SFHVURJKSA-N 2 0 319.452 3.780 20 0 DHADRP c1ccc(C(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000192947196 336285628 /nfs/dbraw/zinc/28/56/28/336285628.db2.gz BEEGBAAWSOZHLS-SFHVURJKSA-N 2 0 320.480 3.892 20 0 DHADRP Clc1cnccc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192955876 336286007 /nfs/dbraw/zinc/28/60/07/336286007.db2.gz LEYSBLWIGYCVGN-HNNXBMFYSA-N 2 0 301.821 3.669 20 0 DHADRP Cc1ccnc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000301664689 336321686 /nfs/dbraw/zinc/32/16/86/336321686.db2.gz VZMPWIMAHJRIFF-YOEHRIQHSA-N 2 0 301.459 3.947 20 0 DHADRP Cc1ccnc(N2CCN([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000301665668 336321835 /nfs/dbraw/zinc/32/18/35/336321835.db2.gz ZVYBSRCASBWTIQ-HNNXBMFYSA-N 2 0 315.848 3.927 20 0 DHADRP CCC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]c3ccc(F)cc23)C1 ZINC000301973781 336340822 /nfs/dbraw/zinc/34/08/22/336340822.db2.gz AXJRQVKIKHWCMG-CQSZACIVSA-N 2 0 301.409 3.826 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352964489 336379806 /nfs/dbraw/zinc/37/98/06/336379806.db2.gz BODXMDJPCJYMJX-HBFSDRIKSA-N 2 0 323.484 3.951 20 0 DHADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152459662 336387088 /nfs/dbraw/zinc/38/70/88/336387088.db2.gz FDWDGVLLFQLFFT-AZUAARDMSA-N 2 0 300.490 3.718 20 0 DHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000106487021 336390130 /nfs/dbraw/zinc/39/01/30/336390130.db2.gz PHGLWFRTEPJUPR-UHFFFAOYSA-N 2 0 318.848 3.935 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000571679556 336394891 /nfs/dbraw/zinc/39/48/91/336394891.db2.gz SUZGGTUBJHPWPW-MRXNPFEDSA-N 2 0 320.452 3.533 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000110644741 336396944 /nfs/dbraw/zinc/39/69/44/336396944.db2.gz SALFFWOWIGNOMR-VXGBXAGGSA-N 2 0 311.267 3.569 20 0 DHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110644745 336397046 /nfs/dbraw/zinc/39/70/46/336397046.db2.gz SALFFWOWIGNOMR-NWDGAFQWSA-N 2 0 311.267 3.569 20 0 DHADRP CCSc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353209132 336406685 /nfs/dbraw/zinc/40/66/85/336406685.db2.gz KDMVJLMBCBSQMN-UHFFFAOYSA-N 2 0 324.559 3.716 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000353399888 336415384 /nfs/dbraw/zinc/41/53/84/336415384.db2.gz FFAMRBIXQIBKII-VMBOVVBDSA-N 2 0 306.425 3.502 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000353502453 336421206 /nfs/dbraw/zinc/42/12/06/336421206.db2.gz LKLYDFXFWPWXJF-BJLQDIEVSA-N 2 0 318.505 3.925 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCSc3ccccc32)CC[NH+](C)CC1 ZINC000353631212 336430310 /nfs/dbraw/zinc/43/03/10/336430310.db2.gz PIXKBSZFIYKJKX-OAHLLOKOSA-N 2 0 322.543 3.641 20 0 DHADRP CSC1(C[NH2+][C@H]2CCCc3ccc(C)cc32)CC[NH+](C)CC1 ZINC000353664376 336432969 /nfs/dbraw/zinc/43/29/69/336432969.db2.gz XCAOYCSCUZZJOU-SFHVURJKSA-N 2 0 318.530 3.789 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000355732541 336520401 /nfs/dbraw/zinc/52/04/01/336520401.db2.gz MJNPPCPEPHYVEF-UHFFFAOYSA-N 2 0 321.515 3.693 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000355782967 336522025 /nfs/dbraw/zinc/52/20/25/336522025.db2.gz YCCYTYFWEMWEBN-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000357023311 336570732 /nfs/dbraw/zinc/57/07/32/336570732.db2.gz VUHLGCOXXDBZCE-ZWKOTPCHSA-N 2 0 310.526 3.636 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2ccccc2OC)CC1 ZINC000361156718 336741597 /nfs/dbraw/zinc/74/15/97/336741597.db2.gz SNTFPEFRIOMNIM-SFHVURJKSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000370114183 336877788 /nfs/dbraw/zinc/87/77/88/336877788.db2.gz XGRIFASLGOLAPU-FDCMFXBMSA-N 2 0 316.489 3.794 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000370148008 336878662 /nfs/dbraw/zinc/87/86/62/336878662.db2.gz IAGMLZOZLPGSHK-LJQANCHMSA-N 2 0 316.489 3.577 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000120960319 336926082 /nfs/dbraw/zinc/92/60/82/336926082.db2.gz WFKMIFULHVETEA-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP CCCCCC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000375515545 337012615 /nfs/dbraw/zinc/01/26/15/337012615.db2.gz SMURFGRUWGFMOE-WMLDXEAASA-N 2 0 309.523 3.832 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cscn2)CC1 ZINC000375896943 337022609 /nfs/dbraw/zinc/02/26/09/337022609.db2.gz BQXIQOBKDBTWSW-UHFFFAOYSA-N 2 0 315.486 3.676 20 0 DHADRP C(CC[NH2+][C@@H]1CCCC12CCOCC2)CC[NH+]1CCCCC1 ZINC000376735579 337040091 /nfs/dbraw/zinc/04/00/91/337040091.db2.gz HBLINVRBDBGHLT-GOSISDBHSA-N 2 0 308.510 3.582 20 0 DHADRP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377629261 337056814 /nfs/dbraw/zinc/05/68/14/337056814.db2.gz SGQHUNIFAXYRLI-SFTDATJTSA-N 2 0 323.484 3.605 20 0 DHADRP Cc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000377807923 337061754 /nfs/dbraw/zinc/06/17/54/337061754.db2.gz VENYYRAAIXQFHN-JJRVBVJISA-N 2 0 319.474 3.778 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cnc(C3CCCC3)s2)C1 ZINC000377839707 337062224 /nfs/dbraw/zinc/06/22/24/337062224.db2.gz LOLPXTDTDIBQCX-WBVHZDCISA-N 2 0 319.518 3.717 20 0 DHADRP Clc1cc2cccnc2c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000378155676 337067241 /nfs/dbraw/zinc/06/72/41/337067241.db2.gz RLSNGFJDQREWKN-DLBZAZTESA-N 2 0 315.848 3.605 20 0 DHADRP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000378473150 337073773 /nfs/dbraw/zinc/07/37/73/337073773.db2.gz HWEKCXOFCWSGLS-PKOBYXMFSA-N 2 0 308.510 3.577 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194216781 337082843 /nfs/dbraw/zinc/08/28/43/337082843.db2.gz KKUWAXCBEOCPOF-MRXNPFEDSA-N 2 0 314.477 3.677 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000582725966 337125850 /nfs/dbraw/zinc/12/58/50/337125850.db2.gz IGOMXFHQJQGOGO-ILZDJORESA-N 2 0 324.468 3.796 20 0 DHADRP COc1cccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000177248615 337154969 /nfs/dbraw/zinc/15/49/69/337154969.db2.gz PLMDFSPWOPEYRV-HNNXBMFYSA-N 2 0 307.397 3.732 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000178098661 337160447 /nfs/dbraw/zinc/16/04/47/337160447.db2.gz LGVVTPJZPQOTLO-KBPBESRZSA-N 2 0 309.523 3.923 20 0 DHADRP FC(F)(F)SCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000178417381 337164574 /nfs/dbraw/zinc/16/45/74/337164574.db2.gz RXKHEQBELHASBR-UHFFFAOYSA-N 2 0 310.429 3.626 20 0 DHADRP c1cn(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000321024685 337176053 /nfs/dbraw/zinc/17/60/53/337176053.db2.gz VNRQSODWNLNUPJ-GUDVDZBRSA-N 2 0 311.473 3.542 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182099777 337184522 /nfs/dbraw/zinc/18/45/22/337184522.db2.gz BXTZPELIPPMFTD-GOSISDBHSA-N 2 0 320.452 3.751 20 0 DHADRP Cc1ccc2c(C)cc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)nc2c1 ZINC000460938910 337193314 /nfs/dbraw/zinc/19/33/14/337193314.db2.gz RDHKAPZQAWVLDG-VQIMIIECSA-N 2 0 309.457 3.772 20 0 DHADRP FC(F)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000183926356 337195574 /nfs/dbraw/zinc/19/55/74/337195574.db2.gz VPMGOYLLKHOLHA-UHFFFAOYSA-N 2 0 308.416 3.932 20 0 DHADRP C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)o1 ZINC000184734754 337199296 /nfs/dbraw/zinc/19/92/96/337199296.db2.gz RGCKBCBBRBSYHF-ZMSDIMECSA-N 2 0 313.445 3.591 20 0 DHADRP CCC[NH+](Cc1cncc(C[N@@H+](CCC)C2CC2)c1)C1CC1 ZINC000582826291 337206030 /nfs/dbraw/zinc/20/60/30/337206030.db2.gz FTHFAHVJTFDIEG-UHFFFAOYSA-N 2 0 301.478 3.830 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000582994096 337223370 /nfs/dbraw/zinc/22/33/70/337223370.db2.gz KGCRTNPWXDGLAU-ZWKOTPCHSA-N 2 0 318.530 3.740 20 0 DHADRP Cc1cnccc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000187669587 337267295 /nfs/dbraw/zinc/26/72/95/337267295.db2.gz ICLBAWVLNJNQPW-UHFFFAOYSA-N 2 0 318.465 3.556 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190978497 337291951 /nfs/dbraw/zinc/29/19/51/337291951.db2.gz ATDZVKDNIZTHMN-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP CSC1(C[NH2+]C2CCC3(CCCC3)CC2)CC[NH+](C)CC1 ZINC000583901704 337384855 /nfs/dbraw/zinc/38/48/55/337384855.db2.gz OQRYNDNPCPBHFP-UHFFFAOYSA-N 2 0 310.551 3.906 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125313300 337410742 /nfs/dbraw/zinc/41/07/42/337410742.db2.gz FGQKHOJNZRSEJI-CYBMUJFWSA-N 2 0 309.523 3.957 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH+](C)CC1)CCCO2 ZINC000125383354 337411272 /nfs/dbraw/zinc/41/12/72/337411272.db2.gz CXEPKDZYIJGBOX-SFHVURJKSA-N 2 0 302.462 3.530 20 0 DHADRP COc1ccccc1[C@H](CNc1cc[nH+]cc1C)[NH+]1CCCC1 ZINC000195334325 337467749 /nfs/dbraw/zinc/46/77/49/337467749.db2.gz AWRYYUFKZUGFGQ-SFHVURJKSA-N 2 0 311.429 3.648 20 0 DHADRP Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000420254656 337497519 /nfs/dbraw/zinc/49/75/19/337497519.db2.gz GOENSJMPAMWUNT-KBPBESRZSA-N 2 0 315.848 3.551 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420383724 337500356 /nfs/dbraw/zinc/50/03/56/337500356.db2.gz ZYCABXNQOBVEBJ-NXEZZACHSA-N 2 0 305.224 3.783 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000420422811 337501187 /nfs/dbraw/zinc/50/11/87/337501187.db2.gz ZTIMMWBWTMERQW-OLZOCXBDSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000420422812 337501197 /nfs/dbraw/zinc/50/11/97/337501197.db2.gz ZTIMMWBWTMERQW-QWHCGFSZSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421373383 337528329 /nfs/dbraw/zinc/52/83/29/337528329.db2.gz MJLFWJZPZFEAGJ-NVPAJSRCSA-N 2 0 310.432 3.748 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000421373943 337528423 /nfs/dbraw/zinc/52/84/23/337528423.db2.gz OEIABXYZGYTSCU-UHFFFAOYSA-N 2 0 321.515 3.834 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000421820881 337649015 /nfs/dbraw/zinc/64/90/15/337649015.db2.gz OFPVXUMPHGZXDK-KRWDZBQOSA-N 2 0 316.489 3.720 20 0 DHADRP COc1ccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)c(F)c1 ZINC000421873223 337657630 /nfs/dbraw/zinc/65/76/30/337657630.db2.gz HPPHRUWZDJOMFG-JFIBYHEFSA-N 2 0 320.452 3.748 20 0 DHADRP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422700811 337683420 /nfs/dbraw/zinc/68/34/20/337683420.db2.gz CIZZSJNZVVOYSH-NBHGPNQESA-N 2 0 322.452 3.902 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000422710903 337683751 /nfs/dbraw/zinc/68/37/51/337683751.db2.gz LVXVREXGVZCXME-YSSFQJQWSA-N 2 0 309.457 3.836 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]C1 ZINC000422720356 337684067 /nfs/dbraw/zinc/68/40/67/337684067.db2.gz SISXORQNQIASFV-YWPYICTPSA-N 2 0 310.894 3.855 20 0 DHADRP Fc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422756825 337685272 /nfs/dbraw/zinc/68/52/72/337685272.db2.gz CLYLRFSQRWSHGW-CGTJXYLNSA-N 2 0 322.493 3.569 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)oc21 ZINC000422786016 337686648 /nfs/dbraw/zinc/68/66/48/337686648.db2.gz NYXXGTDPDYVFLT-OFQRWUPVSA-N 2 0 316.445 3.870 20 0 DHADRP CC1(C)CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422785194 337686654 /nfs/dbraw/zinc/68/66/54/337686654.db2.gz PERMYLIZVRKUSC-YLJYHZDGSA-N 2 0 314.473 3.801 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000422743820 337686682 /nfs/dbraw/zinc/68/66/82/337686682.db2.gz RYIFXHAZXSHPJC-NSHDSACASA-N 2 0 319.449 3.660 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422742530 337686685 /nfs/dbraw/zinc/68/66/85/337686685.db2.gz QFLCTIWSYGAANA-WDEREUQCSA-N 2 0 319.449 3.516 20 0 DHADRP Fc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCCC2)cc1 ZINC000422792090 337686949 /nfs/dbraw/zinc/68/69/49/337686949.db2.gz WWDSHSQAVHCRJZ-ZZJWQFMZSA-N 2 0 302.437 3.930 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)c1 ZINC000422795545 337687025 /nfs/dbraw/zinc/68/70/25/337687025.db2.gz VYCPIYORLJMPEA-YOFSQIOKSA-N 2 0 322.452 3.735 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422802489 337687300 /nfs/dbraw/zinc/68/73/00/337687300.db2.gz DHTYAPMQESWWBV-YSNUMNBNSA-N 2 0 316.489 3.570 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCC1CCCC1 ZINC000422809294 337687675 /nfs/dbraw/zinc/68/76/75/337687675.db2.gz RSFQHDCUWNSTOJ-QUCCMNQESA-N 2 0 314.473 3.802 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422820601 337688007 /nfs/dbraw/zinc/68/80/07/337688007.db2.gz RJZIEVFWRQINEA-OWLYRPNTSA-N 2 0 306.519 3.599 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422819927 337688039 /nfs/dbraw/zinc/68/80/39/337688039.db2.gz OKHJTXWTQYUKCM-DGADGQDISA-N 2 0 318.427 3.865 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422827602 337688238 /nfs/dbraw/zinc/68/82/38/337688238.db2.gz SJJUAXMRJUQOSN-PKOBYXMFSA-N 2 0 321.553 3.684 20 0 DHADRP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841711 337688547 /nfs/dbraw/zinc/68/85/47/337688547.db2.gz WRMGXMSTJMVYSA-GXTWGEPZSA-N 2 0 318.383 3.580 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000422853107 337689018 /nfs/dbraw/zinc/68/90/18/337689018.db2.gz BKFGNNLWYLUKFG-DYVFJYSZSA-N 2 0 313.470 3.736 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422888566 337690189 /nfs/dbraw/zinc/69/01/89/337690189.db2.gz NIHMPVAJKCSRNT-UXIGCNINSA-N 2 0 315.288 3.902 20 0 DHADRP CCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422924396 337691844 /nfs/dbraw/zinc/69/18/44/337691844.db2.gz AYLFTEGHISXEKT-YLJYHZDGSA-N 2 0 314.473 3.802 20 0 DHADRP CCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000422924395 337691856 /nfs/dbraw/zinc/69/18/56/337691856.db2.gz AYLFTEGHISXEKT-XLIONFOSSA-N 2 0 314.473 3.802 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000422933442 337692167 /nfs/dbraw/zinc/69/21/67/337692167.db2.gz DLJROUKLJJJOKG-BHYGNILZSA-N 2 0 322.880 3.749 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932638 337692236 /nfs/dbraw/zinc/69/22/36/337692236.db2.gz GEIQSDYCOSDYSS-WMLDXEAASA-N 2 0 310.869 3.606 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422932622 337692300 /nfs/dbraw/zinc/69/23/00/337692300.db2.gz GCDUBCWQMIGNOH-YLJYHZDGSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000422937947 337692509 /nfs/dbraw/zinc/69/25/09/337692509.db2.gz KDHOIMHZTMTZLF-LBPRGKRZSA-N 2 0 311.267 3.545 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000422937931 337692577 /nfs/dbraw/zinc/69/25/77/337692577.db2.gz DIJAQRSTGQRECJ-CYBMUJFWSA-N 2 0 317.864 3.786 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cccc2ccccc21 ZINC000422943338 337692910 /nfs/dbraw/zinc/69/29/10/337692910.db2.gz YBYVHPZFAIBMAI-VGOFRKELSA-N 2 0 318.464 3.930 20 0 DHADRP c1ccc(-c2cccc3c2OCC[C@@H]3[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422954144 337694707 /nfs/dbraw/zinc/69/47/07/337694707.db2.gz HPBPTIQGFOKQAK-XLIONFOSSA-N 2 0 322.452 3.909 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1=CCCCC1 ZINC000422966121 337695165 /nfs/dbraw/zinc/69/51/65/337695165.db2.gz QRDSLGRNAZKGAB-AZUAARDMSA-N 2 0 312.457 3.722 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000423024966 337695996 /nfs/dbraw/zinc/69/59/96/337695996.db2.gz KLORPFZNKATRQC-RLFYNMQTSA-N 2 0 316.489 3.630 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000423029268 337696229 /nfs/dbraw/zinc/69/62/29/337696229.db2.gz HXPVOBKQQZSBPE-CJNGLKHVSA-N 2 0 316.848 3.520 20 0 DHADRP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423031908 337696452 /nfs/dbraw/zinc/69/64/52/337696452.db2.gz DXCNGKZKAQIJOC-QROZZAMVSA-N 2 0 310.869 3.523 20 0 DHADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423056177 337697531 /nfs/dbraw/zinc/69/75/31/337697531.db2.gz FLVLYRRPLLMGDQ-CEXWTWQISA-N 2 0 315.505 3.542 20 0 DHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000423093130 337699082 /nfs/dbraw/zinc/69/90/82/337699082.db2.gz FWOUYTIMSLDEQD-RACLHMPKSA-N 2 0 316.464 3.972 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423129115 337700838 /nfs/dbraw/zinc/70/08/38/337700838.db2.gz DQWOGFGVBVWAIO-HIFRSBDPSA-N 2 0 302.384 3.830 20 0 DHADRP c1c2ccccc2sc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423138102 337701239 /nfs/dbraw/zinc/70/12/39/337701239.db2.gz SBSGBGWDKVKWFU-KZNAEPCWSA-N 2 0 314.498 3.954 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423140135 337701333 /nfs/dbraw/zinc/70/13/33/337701333.db2.gz XLUBMWHSSGOXAM-HRCADAONSA-N 2 0 314.395 3.830 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc2O1 ZINC000423166445 337702223 /nfs/dbraw/zinc/70/22/23/337702223.db2.gz ZFQSTJPHCWITRK-QWXYKEQDSA-N 2 0 314.473 3.799 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423199388 337703579 /nfs/dbraw/zinc/70/35/79/337703579.db2.gz JZONDGUDVHOHGR-OAHLLOKOSA-N 2 0 315.486 3.695 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423209725 337704267 /nfs/dbraw/zinc/70/42/67/337704267.db2.gz JKAFKXYZOJCNKR-QWHCGFSZSA-N 2 0 314.445 3.694 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423212721 337704559 /nfs/dbraw/zinc/70/45/59/337704559.db2.gz MEGVRDFAWPUVKL-QGPMSJSTSA-N 2 0 306.881 3.955 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000423223502 337705525 /nfs/dbraw/zinc/70/55/25/337705525.db2.gz AGZQBBYNHUJCKA-IWCVFHTOSA-N 2 0 306.881 3.911 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423221980 337705549 /nfs/dbraw/zinc/70/55/49/337705549.db2.gz ZAAAASVJQAGTTA-GARJFASQSA-N 2 0 317.296 3.549 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OCC ZINC000423238685 337706416 /nfs/dbraw/zinc/70/64/16/337706416.db2.gz AOZHLEYJNXPYFF-NVXWUHKLSA-N 2 0 320.477 3.524 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000423246451 337707062 /nfs/dbraw/zinc/70/70/62/337707062.db2.gz KBWOWTWSHFSUAQ-ZIAGYGMSSA-N 2 0 310.869 3.777 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000423246452 337707215 /nfs/dbraw/zinc/70/72/15/337707215.db2.gz KBYQKXJHSPARKF-KYJSFNMBSA-N 2 0 306.881 3.955 20 0 DHADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423255780 337707685 /nfs/dbraw/zinc/70/76/85/337707685.db2.gz ATUBAKHZHBAXCV-AUUYWEPGSA-N 2 0 300.446 3.745 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423264845 337708194 /nfs/dbraw/zinc/70/81/94/337708194.db2.gz ZLKXWRAWVCMAEV-CHWSQXEVSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423285762 337709622 /nfs/dbraw/zinc/70/96/22/337709622.db2.gz ZZGQZTYKENREJI-KBPBESRZSA-N 2 0 314.395 3.616 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C12CCCC2 ZINC000423291147 337709883 /nfs/dbraw/zinc/70/98/83/337709883.db2.gz HABBCHHLBGQHAZ-ZTFGCOKTSA-N 2 0 302.462 3.534 20 0 DHADRP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423294958 337710762 /nfs/dbraw/zinc/71/07/62/337710762.db2.gz VVLAFAHWQWKWTG-UONOGXRCSA-N 2 0 314.429 3.574 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000423296821 337710980 /nfs/dbraw/zinc/71/09/80/337710980.db2.gz ZXOWBJWAEHQFHQ-DJPFJPOOSA-N 2 0 324.468 3.964 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423306828 337711318 /nfs/dbraw/zinc/71/13/18/337711318.db2.gz MBCBBHSZDFEVPX-OSAQELSMSA-N 2 0 300.368 3.526 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423323969 337711913 /nfs/dbraw/zinc/71/19/13/337711913.db2.gz JTQXLTOPDXJVJN-FQEVSTJZSA-N 2 0 323.415 3.792 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CC3(C)CC[NH2+]CC3)oc21 ZINC000423322508 337712028 /nfs/dbraw/zinc/71/20/28/337712028.db2.gz HITNEILSJUDADD-CQSZACIVSA-N 2 0 316.445 3.872 20 0 DHADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423332145 337712457 /nfs/dbraw/zinc/71/24/57/337712457.db2.gz PAFUDQXHOFKQGD-HNNXBMFYSA-N 2 0 310.869 3.779 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000423338287 337712753 /nfs/dbraw/zinc/71/27/53/337712753.db2.gz WAGCOCDHVMZAFA-DZGCQCFKSA-N 2 0 312.379 3.813 20 0 DHADRP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCCC[NH3+])cc2)c1 ZINC000423341457 337712860 /nfs/dbraw/zinc/71/28/60/337712860.db2.gz UMMKBAZATIJXFR-KRWDZBQOSA-N 2 0 312.457 3.964 20 0 DHADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000423347592 337713306 /nfs/dbraw/zinc/71/33/06/337713306.db2.gz QRQWUZHDBDSOKM-FQEVSTJZSA-N 2 0 310.441 3.809 20 0 DHADRP CCc1ccc([C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C(C)C)cc1 ZINC000423404102 337715954 /nfs/dbraw/zinc/71/59/54/337715954.db2.gz ILPWCYKGKFBHAF-LJQANCHMSA-N 2 0 318.505 3.552 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CCS2 ZINC000423420770 337716743 /nfs/dbraw/zinc/71/67/43/337716743.db2.gz JVHGDVLPFXEFIU-ZQIUZPCESA-N 2 0 320.502 3.587 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427061 337717086 /nfs/dbraw/zinc/71/70/86/337717086.db2.gz FOWIGBBJHWEDAR-GVDBMIGSSA-N 2 0 320.864 3.531 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423383922 337717786 /nfs/dbraw/zinc/71/77/86/337717786.db2.gz FQLWUKVEYUPXFE-QGTPRVQTSA-N 2 0 302.462 3.611 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CCCO2 ZINC000423383797 337717923 /nfs/dbraw/zinc/71/79/23/337717923.db2.gz FGTHOVIEATZQQO-ZTFGCOKTSA-N 2 0 302.462 3.611 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423395944 337718776 /nfs/dbraw/zinc/71/87/76/337718776.db2.gz SAXWEIIATMTQIG-OWCLPIDISA-N 2 0 323.278 3.760 20 0 DHADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423438152 337719153 /nfs/dbraw/zinc/71/91/53/337719153.db2.gz MQTZQJXCCYDEHH-XUVXKRRUSA-N 2 0 300.490 3.622 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423440043 337719213 /nfs/dbraw/zinc/71/92/13/337719213.db2.gz SVSHPXHUJJXRAT-XHDPSFHLSA-N 2 0 315.383 3.585 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423440041 337719256 /nfs/dbraw/zinc/71/92/56/337719256.db2.gz SVSHPXHUJJXRAT-IAQYHMDHSA-N 2 0 315.383 3.585 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)CCC[NH3+])cc1F ZINC000423444025 337719555 /nfs/dbraw/zinc/71/95/55/337719555.db2.gz AUCCMXFKFAYKRH-QRTARXTBSA-N 2 0 308.441 3.578 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000423468977 337720968 /nfs/dbraw/zinc/72/09/68/337720968.db2.gz KCDWLEONPQHZKT-PLYYQAHHSA-N 2 0 304.453 3.543 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423478745 337721851 /nfs/dbraw/zinc/72/18/51/337721851.db2.gz LGEZALWKVGFHGP-HIFRSBDPSA-N 2 0 310.869 3.922 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423479676 337721862 /nfs/dbraw/zinc/72/18/62/337721862.db2.gz MJUHMFAJYOYGOE-WFASDCNBSA-N 2 0 300.368 3.888 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423491858 337722658 /nfs/dbraw/zinc/72/26/58/337722658.db2.gz ZTIWZLPOJGQZIG-WMZOPIPTSA-N 2 0 302.462 3.639 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CCC(C(F)(F)F)CC1 ZINC000423491665 337722681 /nfs/dbraw/zinc/72/26/81/337722681.db2.gz ZKCRECPJNYBQRS-XSCHDIRWSA-N 2 0 306.416 3.865 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423494800 337722797 /nfs/dbraw/zinc/72/27/97/337722797.db2.gz BAKWNVFBMOMQSA-WBVHZDCISA-N 2 0 315.486 3.899 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000423494814 337722859 /nfs/dbraw/zinc/72/28/59/337722859.db2.gz BAUVUYRWCVVYKW-KSSFIOAISA-N 2 0 316.420 3.965 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000423497741 337723096 /nfs/dbraw/zinc/72/30/96/337723096.db2.gz ZGRUISLCXJUYDP-OIISXLGYSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423532796 337724575 /nfs/dbraw/zinc/72/45/75/337724575.db2.gz VVVCGLCMBPLDGE-MGWQBKBZSA-N 2 0 318.427 3.851 20 0 DHADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(SCC(F)F)cc1 ZINC000423530383 337724578 /nfs/dbraw/zinc/72/45/78/337724578.db2.gz RHLSOPZIKDDTIY-GFCCVEGCSA-N 2 0 314.445 3.837 20 0 DHADRP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538361 337725140 /nfs/dbraw/zinc/72/51/40/337725140.db2.gz MMGFRFWBBIAERA-SJLPKXTDSA-N 2 0 304.865 3.876 20 0 DHADRP Fc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)C2CCCC2)cc1 ZINC000423539684 337725152 /nfs/dbraw/zinc/72/51/52/337725152.db2.gz PBIGXRDQUDHHGI-LJQANCHMSA-N 2 0 302.437 3.956 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000423540442 337725201 /nfs/dbraw/zinc/72/52/01/337725201.db2.gz QICIWCUAJMAQFE-LRVUVFPRSA-N 2 0 304.400 3.643 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000423540581 337725270 /nfs/dbraw/zinc/72/52/70/337725270.db2.gz JXRPVQVAHUCPBC-FSZRXZPDSA-N 2 0 308.416 3.640 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[NH2+]C1CC1 ZINC000423545033 337725282 /nfs/dbraw/zinc/72/52/82/337725282.db2.gz DNLWZCGYUMSWJW-HNNXBMFYSA-N 2 0 313.489 3.956 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423544522 337725332 /nfs/dbraw/zinc/72/53/32/337725332.db2.gz OIHWKHQCIPPCLC-JXFSHQFZSA-N 2 0 322.905 3.855 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000423547394 337725400 /nfs/dbraw/zinc/72/54/00/337725400.db2.gz GBWPDSIBTIQJML-ZDUSSCGKSA-N 2 0 310.869 3.920 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000423548888 337725464 /nfs/dbraw/zinc/72/54/64/337725464.db2.gz NATSCAQPZJAAGW-RFXPCRSYSA-N 2 0 318.892 3.954 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c2ccccc12 ZINC000423557590 337725505 /nfs/dbraw/zinc/72/55/05/337725505.db2.gz NDYISXIUNOFWSY-OAHLLOKOSA-N 2 0 310.441 3.809 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000536847267 337744014 /nfs/dbraw/zinc/74/40/14/337744014.db2.gz VJGWUYZLQJYKDA-NZSAHSFTSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000536847272 337744057 /nfs/dbraw/zinc/74/40/57/337744057.db2.gz VJGWUYZLQJYKDA-QRQLOZEOSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1ccc2sc(C[NH+]3CCC(CC[NH+](C)C)CC3)nc2c1 ZINC000528351048 337802533 /nfs/dbraw/zinc/80/25/33/337802533.db2.gz GZTNVOUVBQZZLB-UHFFFAOYSA-N 2 0 317.502 3.768 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000121663890 337897008 /nfs/dbraw/zinc/89/70/08/337897008.db2.gz DQIFAVOGNIMLCJ-UHFFFAOYSA-N 2 0 304.478 3.509 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)CCC2 ZINC000121731992 337898623 /nfs/dbraw/zinc/89/86/23/337898623.db2.gz CFUHXZLIBOZALG-HNNXBMFYSA-N 2 0 321.534 3.795 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000514832193 337972528 /nfs/dbraw/zinc/97/25/28/337972528.db2.gz LNMHJTMXVHCHTN-UHFFFAOYSA-N 2 0 302.506 3.800 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000515634048 337994072 /nfs/dbraw/zinc/99/40/72/337994072.db2.gz GXWMBKREYXQNAR-OAHLLOKOSA-N 2 0 311.473 3.865 20 0 DHADRP C[C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C[NH+](C)C ZINC000425925388 338018968 /nfs/dbraw/zinc/01/89/68/338018968.db2.gz RBOUDLNGNOZXEL-MLGOLLRUSA-N 2 0 314.395 3.944 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C[NH+](C)C ZINC000425939181 338019115 /nfs/dbraw/zinc/01/91/15/338019115.db2.gz SEOCWIYMNZXRHH-ZDEQEGDKSA-N 2 0 300.899 3.681 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC45CCCC5)[C@H]3C2)cc1 ZINC000429401693 338079766 /nfs/dbraw/zinc/07/97/66/338079766.db2.gz AZYDYBRSMGUIOA-LWYYNNOASA-N 2 0 310.485 3.819 20 0 DHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429539949 338083493 /nfs/dbraw/zinc/08/34/93/338083493.db2.gz METQVIPCDOTZKX-IRXDYDNUSA-N 2 0 306.519 3.973 20 0 DHADRP CCC(CC)(CC)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429678629 338087123 /nfs/dbraw/zinc/08/71/23/338087123.db2.gz GEWGEZZCCFXSNE-LJQANCHMSA-N 2 0 318.505 3.836 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC000430100203 338096513 /nfs/dbraw/zinc/09/65/13/338096513.db2.gz LKRISWULSOFPOL-SFHVURJKSA-N 2 0 310.445 3.586 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000430157969 338099495 /nfs/dbraw/zinc/09/94/95/338099495.db2.gz SJPJSRBDMJYVQP-FUHWJXTLSA-N 2 0 310.526 3.824 20 0 DHADRP CCc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)cc1 ZINC000430608954 338109859 /nfs/dbraw/zinc/10/98/59/338109859.db2.gz FWVFJDLXOAZCGH-UHFFFAOYSA-N 2 0 315.486 3.543 20 0 DHADRP C[C@H](CC[NH2+]CCSCc1ccccc1)[NH+]1CCCCC1 ZINC000430759851 338113898 /nfs/dbraw/zinc/11/38/98/338113898.db2.gz ZJLRADXDRSNWHV-QGZVFWFLSA-N 2 0 306.519 3.774 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]CCSCc2ccccc2)CC1 ZINC000430765277 338114318 /nfs/dbraw/zinc/11/43/18/338114318.db2.gz SMHRPNXMFZWLKH-UHFFFAOYSA-N 2 0 306.519 3.631 20 0 DHADRP C[C@H](c1c(F)cccc1F)N1CC[C@@H](Oc2ccncc2)C1 ZINC000431147974 338124160 /nfs/dbraw/zinc/12/41/60/338124160.db2.gz VZMILBPVONOIDT-TZMCWYRMSA-N 2 0 304.340 3.574 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)cc1 ZINC000432411544 338155217 /nfs/dbraw/zinc/15/52/17/338155217.db2.gz ZBKNKVQTQOXTJH-CVEARBPZSA-N 2 0 322.518 3.560 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)cc1 ZINC000432411545 338155260 /nfs/dbraw/zinc/15/52/60/338155260.db2.gz ZBKNKVQTQOXTJH-HOTGVXAUSA-N 2 0 322.518 3.560 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753625 338166542 /nfs/dbraw/zinc/16/65/42/338166542.db2.gz VXSNZQFDNYWXCZ-OCCSQVGLSA-N 2 0 321.465 3.740 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000151555843 338177319 /nfs/dbraw/zinc/17/73/19/338177319.db2.gz YSGUTELFOKRPBE-AWEZNQCLSA-N 2 0 310.869 3.571 20 0 DHADRP CCC[C@@H](C)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433543 338240120 /nfs/dbraw/zinc/24/01/20/338240120.db2.gz OJFBZGWCTDSPSG-CABCVRRESA-N 2 0 307.507 3.523 20 0 DHADRP COc1cc(Cl)c(CN(C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000435439442 338240207 /nfs/dbraw/zinc/24/02/07/338240207.db2.gz VCLNFLCDUDHBNH-LBPRGKRZSA-N 2 0 317.260 3.576 20 0 DHADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000435877657 338251439 /nfs/dbraw/zinc/25/14/39/338251439.db2.gz SYWQNVDWNWXSAU-HNNXBMFYSA-N 2 0 300.368 3.842 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436272356 338264743 /nfs/dbraw/zinc/26/47/43/338264743.db2.gz GUGPDPJHTAMUJS-AZUAARDMSA-N 2 0 300.490 3.862 20 0 DHADRP CCOC(C)(C)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000436411225 338271558 /nfs/dbraw/zinc/27/15/58/338271558.db2.gz KWBFFIPIBOVJCJ-UHFFFAOYSA-N 2 0 306.494 3.549 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000437772912 338320774 /nfs/dbraw/zinc/32/07/74/338320774.db2.gz IVFOABSUHKKYCW-IBGZPJMESA-N 2 0 318.505 3.803 20 0 DHADRP C[C@@H](C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)c1ccc(F)cc1 ZINC000437800296 338322060 /nfs/dbraw/zinc/32/20/60/338322060.db2.gz XCSYLIMWJBXGBH-HOTGVXAUSA-N 2 0 315.436 3.617 20 0 DHADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000438196639 338336166 /nfs/dbraw/zinc/33/61/66/338336166.db2.gz DIAMRXKFTMRMBC-FQEVSTJZSA-N 2 0 316.489 3.579 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1CC[NH+](C)CC1 ZINC000438831527 338353012 /nfs/dbraw/zinc/35/30/12/338353012.db2.gz RWRZLMWIYBRKMF-IBGZPJMESA-N 2 0 311.473 3.785 20 0 DHADRP CC[C@@H](F)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440785249 338397301 /nfs/dbraw/zinc/39/73/01/338397301.db2.gz KCTKQXAWLTZFLL-GOSISDBHSA-N 2 0 304.453 3.723 20 0 DHADRP CC[C@H](F)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440793821 338397675 /nfs/dbraw/zinc/39/76/75/338397675.db2.gz ATZQJVXPVNEXOF-OALUTQOASA-N 2 0 304.453 3.723 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442658149 338426937 /nfs/dbraw/zinc/42/69/37/338426937.db2.gz YWFARBPTXRUPHW-HZPDHXFCSA-N 2 0 313.489 3.735 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](COC)C2CCCC2)c1 ZINC000446755388 338535112 /nfs/dbraw/zinc/53/51/12/338535112.db2.gz UJUANZQWZQEKSC-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP CCSc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446890469 338539737 /nfs/dbraw/zinc/53/97/37/338539737.db2.gz LBQOHWPHISRJRL-UHFFFAOYSA-N 2 0 304.503 3.763 20 0 DHADRP CSCC1CCC([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000449152487 338597244 /nfs/dbraw/zinc/59/72/44/338597244.db2.gz FYLDTOLSYGRSCM-UHFFFAOYSA-N 2 0 324.509 3.899 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000162568293 338636696 /nfs/dbraw/zinc/63/66/96/338636696.db2.gz TUKIHPZCHQLFGP-APWZRJJASA-N 2 0 318.505 3.653 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccncc1 ZINC000453092336 338792802 /nfs/dbraw/zinc/79/28/02/338792802.db2.gz QIGJGOUAIOXXIR-HXUWFJFHSA-N 2 0 309.457 3.918 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000459385314 339026194 /nfs/dbraw/zinc/02/61/94/339026194.db2.gz GYLVTOHDPFITDR-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP CCCC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459409626 339027507 /nfs/dbraw/zinc/02/75/07/339027507.db2.gz RDTLIIQUULVOQU-QFBILLFUSA-N 2 0 301.478 3.999 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459656712 339040870 /nfs/dbraw/zinc/04/08/70/339040870.db2.gz GKUIZUVSZZGCRB-CYBMUJFWSA-N 2 0 315.367 3.723 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000459660048 339041236 /nfs/dbraw/zinc/04/12/36/339041236.db2.gz NVKINMHABHMGBW-OALUTQOASA-N 2 0 309.388 3.899 20 0 DHADRP COC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000459667628 339041835 /nfs/dbraw/zinc/04/18/35/339041835.db2.gz BGHMRFDYGLMLJQ-JVGQSUMCSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C3CCCC3)s2)C1 ZINC000459723838 339044401 /nfs/dbraw/zinc/04/44/01/339044401.db2.gz DBAVNZVUICJZNS-AWEZNQCLSA-N 2 0 307.507 3.622 20 0 DHADRP CC(C)COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459732666 339044966 /nfs/dbraw/zinc/04/49/66/339044966.db2.gz MMJKRTUZMQPTSF-GOSISDBHSA-N 2 0 304.478 3.543 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000459735884 339045108 /nfs/dbraw/zinc/04/51/08/339045108.db2.gz PXLQCZGJGNCYBY-CQSZACIVSA-N 2 0 317.864 3.710 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000459735872 339045170 /nfs/dbraw/zinc/04/51/70/339045170.db2.gz PWSZGCPIGRJLNH-LBPRGKRZSA-N 2 0 318.358 3.666 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459793898 339048917 /nfs/dbraw/zinc/04/89/17/339048917.db2.gz UCVGPZGRIQSCGY-CVEARBPZSA-N 2 0 300.446 3.685 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000459798368 339049083 /nfs/dbraw/zinc/04/90/83/339049083.db2.gz XLXVLIIHHVIEKI-KGLIPLIRSA-N 2 0 310.482 3.930 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000459800222 339049310 /nfs/dbraw/zinc/04/93/10/339049310.db2.gz ZILZSEMJGPZFDR-FHERZECASA-N 2 0 306.881 3.908 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000462110417 339072267 /nfs/dbraw/zinc/07/22/67/339072267.db2.gz IGESLWAKPOZVBQ-ZFWWWQNUSA-N 2 0 306.416 3.819 20 0 DHADRP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000462690145 339084336 /nfs/dbraw/zinc/08/43/36/339084336.db2.gz WUWVKKWDRNABRZ-SJLPKXTDSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000462750872 339086841 /nfs/dbraw/zinc/08/68/41/339086841.db2.gz RQMRVIGLVYNHNO-HKUYNNGSSA-N 2 0 318.505 3.728 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000462786911 339088612 /nfs/dbraw/zinc/08/86/12/339088612.db2.gz FCISUKPAYSOGEH-XUVXKRRUSA-N 2 0 322.537 3.683 20 0 DHADRP COCC1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCC1 ZINC000463111669 339106116 /nfs/dbraw/zinc/10/61/16/339106116.db2.gz XBNVATZXNMEOEN-SFHVURJKSA-N 2 0 322.537 3.780 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463278337 339112966 /nfs/dbraw/zinc/11/29/66/339112966.db2.gz VNVPCWWXUIFEQJ-YCPHGPKFSA-N 2 0 314.395 3.970 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000464771259 339152282 /nfs/dbraw/zinc/15/22/82/339152282.db2.gz CMSSJKORDUSDFM-INIZCTEOSA-N 2 0 324.896 3.773 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000467303577 339230651 /nfs/dbraw/zinc/23/06/51/339230651.db2.gz BMXHAGBRKIRPOF-WJFTUGDTSA-N 2 0 310.526 3.682 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000467309555 339230953 /nfs/dbraw/zinc/23/09/53/339230953.db2.gz RBXHXNRHGDQIQM-HKUYNNGSSA-N 2 0 315.505 3.880 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000467312037 339231214 /nfs/dbraw/zinc/23/12/14/339231214.db2.gz ZFUSGFBEVXCXTM-OALUTQOASA-N 2 0 315.505 3.882 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000467435342 339238484 /nfs/dbraw/zinc/23/84/84/339238484.db2.gz XVRKJWFJBTVJHC-XYJFISCASA-N 2 0 304.478 3.714 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000468045069 339252558 /nfs/dbraw/zinc/25/25/58/339252558.db2.gz PNHJMBIHXXNIPA-KBXCAEBGSA-N 2 0 300.446 3.604 20 0 DHADRP CCCCOc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000468395081 339261769 /nfs/dbraw/zinc/26/17/69/339261769.db2.gz XNFWWNUPFHCKSS-PKOBYXMFSA-N 2 0 316.489 3.782 20 0 DHADRP CCCCOc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000468395079 339261800 /nfs/dbraw/zinc/26/18/00/339261800.db2.gz XNFWWNUPFHCKSS-IEBWSBKVSA-N 2 0 316.489 3.782 20 0 DHADRP CCCCOc1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000468395080 339261811 /nfs/dbraw/zinc/26/18/11/339261811.db2.gz XNFWWNUPFHCKSS-MJGOQNOKSA-N 2 0 316.489 3.782 20 0 DHADRP C[NH+](C)CC1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000468410572 339262315 /nfs/dbraw/zinc/26/23/15/339262315.db2.gz YWSSWNZCGNVECE-UHFFFAOYSA-N 2 0 306.416 3.629 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCOC2CCCCC2)[C@@H](C)C1 ZINC000468914147 339274578 /nfs/dbraw/zinc/27/45/78/339274578.db2.gz JJCOTUBRLMHUAL-HKUYNNGSSA-N 2 0 310.526 3.826 20 0 DHADRP COC(C)(C)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000469732056 339297086 /nfs/dbraw/zinc/29/70/86/339297086.db2.gz XWUVZHSRKLHUMT-IEBWSBKVSA-N 2 0 318.505 3.786 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469803122 339301333 /nfs/dbraw/zinc/30/13/33/339301333.db2.gz ZDXGGVWHGBSWBR-SWLSCSKDSA-N 2 0 312.860 3.687 20 0 DHADRP C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000469806765 339301454 /nfs/dbraw/zinc/30/14/54/339301454.db2.gz LEWNRQOBUJFWKU-HZPDHXFCSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000469851843 339302562 /nfs/dbraw/zinc/30/25/62/339302562.db2.gz MOYMXJYNYNRIPE-GOEBONIOSA-N 2 0 300.471 3.893 20 0 DHADRP CCCCOc1ccccc1C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000469851220 339302613 /nfs/dbraw/zinc/30/26/13/339302613.db2.gz HTZKOFMFIORHKU-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C[C@@H]12 ZINC000469871376 339303355 /nfs/dbraw/zinc/30/33/55/339303355.db2.gz RUCOLJBCENEEPY-KBRIMQKVSA-N 2 0 316.445 3.723 20 0 DHADRP Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC(F)F)cc1C ZINC000469994051 339307403 /nfs/dbraw/zinc/30/74/03/339307403.db2.gz WXWFBSGBYVERRY-XYPWUTKMSA-N 2 0 324.415 3.620 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000470011835 339308367 /nfs/dbraw/zinc/30/83/67/339308367.db2.gz NBZVXBWMXMBQPW-HNNXBMFYSA-N 2 0 300.471 3.847 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000470254085 339315395 /nfs/dbraw/zinc/31/53/95/339315395.db2.gz IIUYJUDZGBRBOK-BARDWOONSA-N 2 0 306.416 3.675 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000472267210 339368206 /nfs/dbraw/zinc/36/82/06/339368206.db2.gz CLVPEDWZYGIIEO-QAPCUYQASA-N 2 0 324.896 3.834 20 0 DHADRP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472446660 339371969 /nfs/dbraw/zinc/37/19/69/339371969.db2.gz AMHFTTPTLWVJJA-YLJYHZDGSA-N 2 0 300.490 3.671 20 0 DHADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000472571735 339373994 /nfs/dbraw/zinc/37/39/94/339373994.db2.gz RRKKBSIUZZKYAH-HOJAQTOUSA-N 2 0 300.490 3.814 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000472577224 339374198 /nfs/dbraw/zinc/37/41/98/339374198.db2.gz CDEJOWWRBPBGNH-KRWDZBQOSA-N 2 0 306.519 3.833 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474037282 339398311 /nfs/dbraw/zinc/39/83/11/339398311.db2.gz QAYWTRYTJPTKBB-IBGZPJMESA-N 2 0 316.489 3.882 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000474797803 339426539 /nfs/dbraw/zinc/42/65/39/339426539.db2.gz AAUQNVNIAFVJLE-MOPGFXCFSA-N 2 0 310.526 3.539 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000474811249 339427554 /nfs/dbraw/zinc/42/75/54/339427554.db2.gz NXFKAMLNLDCAHC-OAHAVBBTSA-N 2 0 322.537 3.824 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000475336166 339447452 /nfs/dbraw/zinc/44/74/52/339447452.db2.gz STBZYGNDBHYZNE-QFBILLFUSA-N 2 0 304.453 3.926 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477943549 339505615 /nfs/dbraw/zinc/50/56/15/339505615.db2.gz VGLGPUCENHDMDR-KRWDZBQOSA-N 2 0 318.505 3.728 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000479870263 339551798 /nfs/dbraw/zinc/55/17/98/339551798.db2.gz CFWXJSOCNMCHED-TXPKVOOTSA-N 2 0 304.478 3.856 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000480613560 339579756 /nfs/dbraw/zinc/57/97/56/339579756.db2.gz RMOYBKFXTUCMTQ-INIZCTEOSA-N 2 0 322.468 3.997 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000482067570 339621595 /nfs/dbraw/zinc/62/15/95/339621595.db2.gz IQMBYRLBRJKQER-RDJZCZTQSA-N 2 0 304.453 3.926 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000482977035 339648948 /nfs/dbraw/zinc/64/89/48/339648948.db2.gz FOIXMZJVUMMSQU-FQEVSTJZSA-N 2 0 316.489 3.928 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000484288150 339683731 /nfs/dbraw/zinc/68/37/31/339683731.db2.gz IADMSXLMGVMPIL-UZLBHIALSA-N 2 0 318.505 3.573 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C(C)(C)C ZINC000488418237 339780790 /nfs/dbraw/zinc/78/07/90/339780790.db2.gz SNWTWOVAKDULEG-KKUMJFAQSA-N 2 0 300.556 3.863 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000493893399 339935915 /nfs/dbraw/zinc/93/59/15/339935915.db2.gz FUKHORSHMKHTIG-ICSRJNTNSA-N 2 0 318.505 3.864 20 0 DHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000500424241 340058082 /nfs/dbraw/zinc/05/80/82/340058082.db2.gz CRUGUAMVSCCXBX-KAMYIIQDSA-N 2 0 324.390 3.960 20 0 DHADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000501769235 340088201 /nfs/dbraw/zinc/08/82/01/340088201.db2.gz HARYMSPSTBCHNX-IBGZPJMESA-N 2 0 304.453 3.867 20 0 DHADRP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CCCN1C1CCCCC1 ZINC000502326693 340099962 /nfs/dbraw/zinc/09/99/62/340099962.db2.gz OLULMAFXSUILAT-MOPGFXCFSA-N 2 0 320.521 3.722 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503015891 340118706 /nfs/dbraw/zinc/11/87/06/340118706.db2.gz QZUODZVNXWSMGV-WOJBJXKFSA-N 2 0 324.468 3.520 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000503033664 340119276 /nfs/dbraw/zinc/11/92/76/340119276.db2.gz JCOGSDAZJVBMEQ-PZJWPPBQSA-N 2 0 324.468 3.520 20 0 DHADRP C[N@@H+]1CCC[C@H]1CCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073102 340120345 /nfs/dbraw/zinc/12/03/45/340120345.db2.gz MVWIIJMVSLGYPA-PMACEKPBSA-N 2 0 312.432 3.989 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2CC)CC1 ZINC000503948938 340138218 /nfs/dbraw/zinc/13/82/18/340138218.db2.gz QFVZCYNCQADXML-UHFFFAOYSA-N 2 0 304.478 3.564 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000401039811 340161043 /nfs/dbraw/zinc/16/10/43/340161043.db2.gz DEMLPBJNBMRSFB-ADSMDIBLSA-N 2 0 312.379 3.744 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000401069958 340161963 /nfs/dbraw/zinc/16/19/63/340161963.db2.gz MTPPRCHQXFOBQV-YYWXWVFPSA-N 2 0 312.379 3.744 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)cc2Cl)CC1 ZINC000506895681 340203299 /nfs/dbraw/zinc/20/32/99/340203299.db2.gz LJPUPPCCLNFIQE-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCOC1 ZINC000507505274 340223067 /nfs/dbraw/zinc/22/30/67/340223067.db2.gz CWWSUBFMXWKZQS-ZWKOTPCHSA-N 2 0 308.510 3.580 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000507952510 340236415 /nfs/dbraw/zinc/23/64/15/340236415.db2.gz RMLKMEBQYJGURV-MKXGPGLRSA-N 2 0 310.526 3.539 20 0 DHADRP CC(C)COCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698937 340250784 /nfs/dbraw/zinc/25/07/84/340250784.db2.gz PQZHJMCCSVZVFC-QUCCMNQESA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000509642208 340275326 /nfs/dbraw/zinc/27/53/26/340275326.db2.gz JOGJBADPGKXQHI-KRWDZBQOSA-N 2 0 321.534 3.582 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000509721125 340277884 /nfs/dbraw/zinc/27/78/84/340277884.db2.gz UTDFLOANDJXVFI-GHRIWEEISA-N 2 0 316.489 3.699 20 0 DHADRP CC1CC[NH+](CCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000510176244 340291561 /nfs/dbraw/zinc/29/15/61/340291561.db2.gz NIXKHZMTHLFXAX-DUXPYHPUSA-N 2 0 308.416 3.690 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000510345773 340296552 /nfs/dbraw/zinc/29/65/52/340296552.db2.gz HWYZTRJJYZMVLS-XCMFGDQWSA-N 2 0 316.489 3.558 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000510648051 340304931 /nfs/dbraw/zinc/30/49/31/340304931.db2.gz DIVJKGLONDHHMI-KFWWJZLASA-N 2 0 310.432 3.748 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[NH+]1CCCCC1 ZINC000510670101 340305977 /nfs/dbraw/zinc/30/59/77/340305977.db2.gz MDUAIMVWLCUPOC-OAHLLOKOSA-N 2 0 310.432 3.752 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510675969 340306206 /nfs/dbraw/zinc/30/62/06/340306206.db2.gz RKRZUBQOTGMFRU-FUHWJXTLSA-N 2 0 322.468 3.635 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000511019454 340318451 /nfs/dbraw/zinc/31/84/51/340318451.db2.gz SNWABXILZKHFHZ-NSISKUIASA-N 2 0 322.537 3.560 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000511508872 340329129 /nfs/dbraw/zinc/32/91/29/340329129.db2.gz QPNUPTQXRLTACA-UHFFFAOYSA-N 2 0 316.489 3.564 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000512041525 340346390 /nfs/dbraw/zinc/34/63/90/340346390.db2.gz UNJWBBUIDQBCOW-KRWDZBQOSA-N 2 0 300.446 3.890 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)c1 ZINC000512134203 340349619 /nfs/dbraw/zinc/34/96/19/340349619.db2.gz YNNIUQZRPRFIGL-QPJJXVBHSA-N 2 0 316.395 3.829 20 0 DHADRP C[N@H+](CCCOc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512556916 340366740 /nfs/dbraw/zinc/36/67/40/340366740.db2.gz INZNBMXQDJGKDI-SJPCQFCGSA-N 2 0 322.880 3.666 20 0 DHADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512630518 340369947 /nfs/dbraw/zinc/36/99/47/340369947.db2.gz MZJWCZUYWCDCQK-QXCFHYIPSA-N 2 0 318.530 3.628 20 0 DHADRP c1coc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512652784 340371182 /nfs/dbraw/zinc/37/11/82/340371182.db2.gz BMBHMCCCYAXUSI-CEWLAPEOSA-N 2 0 324.468 3.712 20 0 DHADRP Cc1cccc([C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173950119 340378387 /nfs/dbraw/zinc/37/83/87/340378387.db2.gz BWPZKYYMPQXMES-GOSISDBHSA-N 2 0 316.489 3.633 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCC(F)(F)F)CC2)C1 ZINC000513030736 340389575 /nfs/dbraw/zinc/38/95/75/340389575.db2.gz VCXBZHKZYXNXGX-DZGCQCFKSA-N 2 0 306.416 3.962 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000513234310 340398694 /nfs/dbraw/zinc/39/86/94/340398694.db2.gz VORVUWHSSRMIQH-IHPCNDPISA-N 2 0 324.553 3.806 20 0 DHADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000517536409 340471233 /nfs/dbraw/zinc/47/12/33/340471233.db2.gz FCZACPCNECXBRV-HOTGVXAUSA-N 2 0 306.469 3.982 20 0 DHADRP C[C@H](c1ccccc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182952189 340486007 /nfs/dbraw/zinc/48/60/07/340486007.db2.gz IATBBDDZWMQCHT-GOSISDBHSA-N 2 0 316.489 3.572 20 0 DHADRP C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000186595078 340514677 /nfs/dbraw/zinc/51/46/77/340514677.db2.gz PLBWFHCJILDNFG-NFOMZHRRSA-N 2 0 306.416 3.677 20 0 DHADRP Cc1cc(C)c([C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c(C)c1 ZINC000316414444 340683920 /nfs/dbraw/zinc/68/39/20/340683920.db2.gz JGRNGQAGQNLJFY-QGZVFWFLSA-N 2 0 304.478 3.503 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529527493 340759263 /nfs/dbraw/zinc/75/92/63/340759263.db2.gz RZPUGWIDJKRCOY-UHFFFAOYSA-N 2 0 320.424 3.931 20 0 DHADRP Fc1cccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000530287245 340786488 /nfs/dbraw/zinc/78/64/88/340786488.db2.gz LAEYYTUCLJKKBZ-YLJYHZDGSA-N 2 0 316.464 3.926 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000126377722 340826472 /nfs/dbraw/zinc/82/64/72/340826472.db2.gz RJOBKSDFFDBEOO-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000065996750 340839658 /nfs/dbraw/zinc/83/96/58/340839658.db2.gz PMLLXVMKRGDJIZ-UHFFFAOYSA-N 2 0 310.441 3.910 20 0 DHADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000539071937 340870440 /nfs/dbraw/zinc/87/04/40/340870440.db2.gz FWPQEHHLDKFDHL-NCXUSEDFSA-N 2 0 310.526 3.680 20 0 DHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCCC2)CC1 ZINC000540410539 340930049 /nfs/dbraw/zinc/93/00/49/340930049.db2.gz PHZFDRXBUNMRFU-HNNXBMFYSA-N 2 0 319.468 3.561 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000542507226 341011065 /nfs/dbraw/zinc/01/10/65/341011065.db2.gz JFJGGUHKZSDHKG-ICSRJNTNSA-N 2 0 322.537 3.922 20 0 DHADRP CC[C@@H]([NH2+]CC1(C[NH2+][C@@H](CC)C(C)(C)C)COC1)C(C)(C)C ZINC000542967470 341027398 /nfs/dbraw/zinc/02/73/98/341027398.db2.gz MSCYCBWJTWOYHW-IYBDPMFKSA-N 2 0 312.542 3.832 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000543081680 341031053 /nfs/dbraw/zinc/03/10/53/341031053.db2.gz ZPEFFGUOIHTLEE-INIZCTEOSA-N 2 0 306.469 3.811 20 0 DHADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000543140707 341033846 /nfs/dbraw/zinc/03/38/46/341033846.db2.gz RLLGYUDPBUQOGF-SFHVURJKSA-N 2 0 306.881 3.991 20 0 DHADRP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCC[NH+]2CCCC2)c1 ZINC000543179165 341035530 /nfs/dbraw/zinc/03/55/30/341035530.db2.gz VOKVWZRUASWJFL-LPHOPBHVSA-N 2 0 302.462 3.564 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H]3CCO[C@@H](C)C3)CC2)C1 ZINC000543410027 341042690 /nfs/dbraw/zinc/04/26/90/341042690.db2.gz IPBOXMJCERPXKC-LXZJYRNTSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H]3CCO[C@H](C)C3)CC2)C1 ZINC000543410029 341042699 /nfs/dbraw/zinc/04/26/99/341042699.db2.gz IPBOXMJCERPXKC-MLYOOKFZSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000543426461 341044084 /nfs/dbraw/zinc/04/40/84/341044084.db2.gz AXLCOLAFYQYJEI-VQIMIIECSA-N 2 0 321.468 3.724 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000131388108 341083744 /nfs/dbraw/zinc/08/37/44/341083744.db2.gz AOVRRQIVHNOOPK-MRXNPFEDSA-N 2 0 300.446 3.905 20 0 DHADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000544610995 341088953 /nfs/dbraw/zinc/08/89/53/341088953.db2.gz IMVNVEMVWGLPQN-GSEOLPGOSA-N 2 0 322.537 3.776 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132103679 341116452 /nfs/dbraw/zinc/11/64/52/341116452.db2.gz HEWUHTJKLUMNPW-RVKKMQEKSA-N 2 0 304.453 3.566 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000133031211 341152283 /nfs/dbraw/zinc/15/22/83/341152283.db2.gz ALMARLXULLIQIB-DNVCBOLYSA-N 2 0 302.437 3.621 20 0 DHADRP Cc1ccc2[nH+]ccc(N[C@H]3C[N@@H+](C)Cc4ccccc43)c2c1 ZINC000546173603 341156046 /nfs/dbraw/zinc/15/60/46/341156046.db2.gz XXTXBOHXGJBNQV-FQEVSTJZSA-N 2 0 303.409 3.564 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000546180878 341156484 /nfs/dbraw/zinc/15/64/84/341156484.db2.gz KPHFWBGOPRPULT-UHFFFAOYSA-N 2 0 309.457 3.998 20 0 DHADRP Cc1ccc2[nH+]ccc(NC[C@@H](c3ccsc3)[NH+](C)C)c2c1 ZINC000546898980 341186052 /nfs/dbraw/zinc/18/60/52/341186052.db2.gz OLIBGYDNLLYEFS-SFHVURJKSA-N 2 0 311.454 3.741 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000134168570 341208260 /nfs/dbraw/zinc/20/82/60/341208260.db2.gz FAEBRYPHPVIBNN-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP CC(C)c1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000134188275 341208839 /nfs/dbraw/zinc/20/88/39/341208839.db2.gz IRDHZUQXDDQXLG-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP CC1(C)CCC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C1 ZINC000136110800 341252996 /nfs/dbraw/zinc/25/29/96/341252996.db2.gz DEROHKYPKYLPCF-KRWDZBQOSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245437949 341293926 /nfs/dbraw/zinc/29/39/26/341293926.db2.gz FCWKGMRJZAZUKO-CABCVRRESA-N 2 0 308.416 3.834 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245581706 341303289 /nfs/dbraw/zinc/30/32/89/341303289.db2.gz HTSWIVVQTBUCSU-YLVFBTJISA-N 2 0 310.844 3.860 20 0 DHADRP C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840567 341304705 /nfs/dbraw/zinc/30/47/05/341304705.db2.gz KGZMRYWIXQTDGT-GUYCJALGSA-N 2 0 310.844 3.958 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cc(OC)ccc3o2)[C@@H](C)C1 ZINC000245719290 341311703 /nfs/dbraw/zinc/31/17/03/341311703.db2.gz HPSATGSZWJQWGG-KSSFIOAISA-N 2 0 316.445 3.604 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245892677 341317505 /nfs/dbraw/zinc/31/75/05/341317505.db2.gz MKQPOYFYWVIHRO-GUDVDZBRSA-N 2 0 322.537 3.538 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245950723 341319332 /nfs/dbraw/zinc/31/93/32/341319332.db2.gz WKVHZFLMDANNAX-RHQZKXFESA-N 2 0 322.537 3.538 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000550662066 341320777 /nfs/dbraw/zinc/32/07/77/341320777.db2.gz PRZWDJIZSQDMKP-KBXCAEBGSA-N 2 0 306.881 3.593 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccncc1F ZINC000551064395 341330689 /nfs/dbraw/zinc/33/06/89/341330689.db2.gz ZRCSHOXHAAPFTC-MPGHIAIKSA-N 2 0 307.457 3.772 20 0 DHADRP CCOC(C)(C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000551277484 341336939 /nfs/dbraw/zinc/33/69/39/341336939.db2.gz FJOVYUNGSOUWGM-UHFFFAOYSA-N 2 0 318.505 3.834 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000246352052 341343863 /nfs/dbraw/zinc/34/38/63/341343863.db2.gz HUPLSCFXFMUOPB-MNZLEMJZSA-N 2 0 301.478 3.712 20 0 DHADRP CC(C)CSCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246508115 341351170 /nfs/dbraw/zinc/35/11/70/341351170.db2.gz BNMHUOMQYROQBO-WMZOPIPTSA-N 2 0 310.551 3.714 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246565098 341353678 /nfs/dbraw/zinc/35/36/78/341353678.db2.gz XMZBLCKJEFEOMB-YOEHRIQHSA-N 2 0 324.896 3.601 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000246840094 341357720 /nfs/dbraw/zinc/35/77/20/341357720.db2.gz CCSVKOXLJFCIJY-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000246956891 341359100 /nfs/dbraw/zinc/35/91/00/341359100.db2.gz IQBIENKKSZQWOP-CABCVRRESA-N 2 0 308.441 3.605 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246980450 341359438 /nfs/dbraw/zinc/35/94/38/341359438.db2.gz QUVSMOSOJLMMPC-KFWWJZLASA-N 2 0 306.416 3.962 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000247172344 341361900 /nfs/dbraw/zinc/36/19/00/341361900.db2.gz YQXZRFADFILNRW-WMLDXEAASA-N 2 0 306.881 3.692 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)C/C(C)=C\c1ccccc1COC ZINC000552042515 341364225 /nfs/dbraw/zinc/36/42/25/341364225.db2.gz KSOUPRPPVNQADD-VKAVYKQESA-N 2 0 304.478 3.510 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000552047354 341364833 /nfs/dbraw/zinc/36/48/33/341364833.db2.gz JKCZNYSPBJEJFU-CTWPCTMYSA-N 2 0 306.469 3.855 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000564388637 341375909 /nfs/dbraw/zinc/37/59/09/341375909.db2.gz BJBHQJJXOAKZJM-SOAISFHBSA-N 2 0 322.537 3.968 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H]2CCC[C@@H]21 ZINC000552245214 341380949 /nfs/dbraw/zinc/38/09/49/341380949.db2.gz VDKOANJHALMKMF-LEOABGAYSA-N 2 0 318.427 3.818 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000552252164 341381493 /nfs/dbraw/zinc/38/14/93/341381493.db2.gz DOJINKLQDVORLI-FGTMMUONSA-N 2 0 304.453 3.566 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC1CC[NH+](C)CC1 ZINC000552252489 341381548 /nfs/dbraw/zinc/38/15/48/341381548.db2.gz PCYVXZPMOCVQDJ-AWEZNQCLSA-N 2 0 310.432 3.607 20 0 DHADRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cnn1C(C)C ZINC000248699408 341384493 /nfs/dbraw/zinc/38/44/93/341384493.db2.gz MJDYERNNKLMZLF-SJORKVTESA-N 2 0 320.525 3.935 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000248852348 341388533 /nfs/dbraw/zinc/38/85/33/341388533.db2.gz BLGKXPLVEFDSEN-AQNXPRMDSA-N 2 0 323.569 3.693 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000248887270 341389471 /nfs/dbraw/zinc/38/94/71/341389471.db2.gz YAJYHJHOCPPNOF-KURKYZTESA-N 2 0 308.510 3.530 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000553395666 341427858 /nfs/dbraw/zinc/42/78/58/341427858.db2.gz MUNGAENGIXVDOK-OAHLLOKOSA-N 2 0 320.452 3.751 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000554050302 341441849 /nfs/dbraw/zinc/44/18/49/341441849.db2.gz IGMVAXDVNNRVNA-ZWKOTPCHSA-N 2 0 304.478 3.541 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000564791773 341509736 /nfs/dbraw/zinc/50/97/36/341509736.db2.gz DGZXEZWKZUZTHC-AEFFLSMTSA-N 2 0 306.881 3.955 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)c2ccccc12 ZINC000566088436 341547339 /nfs/dbraw/zinc/54/73/39/341547339.db2.gz NRVCWVJBPHCDLN-HNNXBMFYSA-N 2 0 300.446 3.887 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000567332570 341595916 /nfs/dbraw/zinc/59/59/16/341595916.db2.gz WZHAAEOTUZKYHI-KRWDZBQOSA-N 2 0 316.489 3.971 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1sccc1Br ZINC000568856693 341683448 /nfs/dbraw/zinc/68/34/48/341683448.db2.gz TVBRXFNMMFYUDK-UWVGGRQHSA-N 2 0 305.285 3.679 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CCCS2 ZINC000423420607 518162327 /nfs/dbraw/zinc/16/23/27/518162327.db2.gz BPVFXHSNKMDPLL-BBRMVZONSA-N 2 0 308.491 3.729 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000161717267 519629777 /nfs/dbraw/zinc/62/97/77/519629777.db2.gz NVLFENJYAWRXSV-AWEZNQCLSA-N 2 0 303.475 3.834 20 0 DHADRP CC(C)SCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000338277443 519787497 /nfs/dbraw/zinc/78/74/97/519787497.db2.gz FIJCASOYYNZSAT-UHFFFAOYSA-N 2 0 321.534 3.762 20 0 DHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000157546428 519817722 /nfs/dbraw/zinc/81/77/22/519817722.db2.gz MRLJCYAOALRNIX-MRXNPFEDSA-N 2 0 305.853 3.693 20 0 DHADRP CCC1(C[NH2+][C@H](C)CCOC)CC[NH+](Cc2ccccc2)CC1 ZINC000338234060 519843392 /nfs/dbraw/zinc/84/33/92/519843392.db2.gz VKVDLCUPSGMONQ-GOSISDBHSA-N 2 0 318.505 3.693 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)nc3ccccc23)CC1 ZINC000124767677 519844161 /nfs/dbraw/zinc/84/41/61/519844161.db2.gz GNZDMAMEHQNGIN-UHFFFAOYSA-N 2 0 311.473 3.849 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000157950016 519978654 /nfs/dbraw/zinc/97/86/54/519978654.db2.gz FGKHBNXFKHASTA-IRXDYDNUSA-N 2 0 306.498 3.627 20 0 DHADRP CC[NH+](CC)Cc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1 ZINC000339399005 520744328 /nfs/dbraw/zinc/74/43/28/520744328.db2.gz XYHFNFODUBQYAD-INIZCTEOSA-N 2 0 316.449 3.624 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)C1 ZINC000163302860 521710321 /nfs/dbraw/zinc/71/03/21/521710321.db2.gz QREQZBBBEZEYIW-STQMWFEESA-N 2 0 314.445 3.994 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000337340902 521905766 /nfs/dbraw/zinc/90/57/66/521905766.db2.gz PUBGZRVOEBSRCO-PZJWPPBQSA-N 2 0 323.484 3.959 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129223298 521924589 /nfs/dbraw/zinc/92/45/89/521924589.db2.gz OSSFXGDTPVWWAF-HZPDHXFCSA-N 2 0 314.395 3.959 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)c1cnn(C)c1 ZINC000163560499 522645183 /nfs/dbraw/zinc/64/51/83/522645183.db2.gz VVFFXQLQHNQWHM-IBGZPJMESA-N 2 0 314.477 3.503 20 0 DHADRP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000130580553 523942916 /nfs/dbraw/zinc/94/29/16/523942916.db2.gz GCKOGILMUZICOT-UHFFFAOYSA-N 2 0 300.446 3.972 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CCCCCOc1ccccc1)C2 ZINC000188055258 524030979 /nfs/dbraw/zinc/03/09/79/524030979.db2.gz SVBZSVNAUSZZLV-YQQQUEKLSA-N 2 0 316.489 3.841 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2ccccn2)CC1 ZINC000158998627 524098902 /nfs/dbraw/zinc/09/89/02/524098902.db2.gz VTGWKLATIQNVTR-GOSISDBHSA-N 2 0 315.505 3.601 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2ccsc2S1 ZINC000336827461 525265697 /nfs/dbraw/zinc/26/56/97/525265697.db2.gz SNYIGRFABYNIQM-IUODEOHRSA-N 2 0 310.532 3.995 20 0 DHADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000156773431 525298018 /nfs/dbraw/zinc/29/80/18/525298018.db2.gz NHMAGWVIZNLNQQ-KURKYZTESA-N 2 0 323.484 3.889 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccnc1 ZINC000112537943 525325704 /nfs/dbraw/zinc/32/57/04/525325704.db2.gz WORNUKUWVVEVTF-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1F ZINC000127090004 525333881 /nfs/dbraw/zinc/33/38/81/525333881.db2.gz MCSMVUWIUWVWKU-NSHDSACASA-N 2 0 317.246 3.581 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccncc1 ZINC000336946385 525461590 /nfs/dbraw/zinc/46/15/90/525461590.db2.gz OIGJYUOUKABCDF-KRWDZBQOSA-N 2 0 309.457 3.918 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000119957549 535521957 /nfs/dbraw/zinc/52/19/57/535521957.db2.gz CUTBYXBJHYQNGX-CVEARBPZSA-N 2 0 316.493 3.734 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1C ZINC000273344135 536617418 /nfs/dbraw/zinc/61/74/18/536617418.db2.gz LRQGXLGFMDZKGD-MRXNPFEDSA-N 2 0 304.478 3.835 20 0 DHADRP COc1ccc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc2c1 ZINC000289211744 537033161 /nfs/dbraw/zinc/03/31/61/537033161.db2.gz BZPNQULAZWCPDB-YOFSQIOKSA-N 2 0 324.468 3.905 20 0 DHADRP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000251483666 563910657 /nfs/dbraw/zinc/91/06/57/563910657.db2.gz DSEKTZPDFWCQFA-IAGOWNOFSA-N 2 0 319.518 3.562 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+](C)C ZINC000293634816 1013105414 /nfs/dbraw/zinc/10/54/14/1013105414.db2.gz KKZFOBQPDKHFHO-RDBSUJKOSA-N 2 0 305.491 3.576 20 0 DHADRP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC[NH+](C)C ZINC001280220657 1013168883 /nfs/dbraw/zinc/16/88/83/1013168883.db2.gz HNADZGWUOJRMRM-UMQXSMKFSA-N 2 0 323.569 3.740 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2nccc3ccccc32)c1 ZINC000894384945 1013228194 /nfs/dbraw/zinc/22/81/94/1013228194.db2.gz NLDPALDGZNUKAL-UHFFFAOYSA-N 2 0 305.425 3.586 20 0 DHADRP COc1cccc(C[NH2+]CCCCC[NH+]2CCCCC2)c1F ZINC000192683041 1013289270 /nfs/dbraw/zinc/28/92/70/1013289270.db2.gz FYKUVJNXHUJHFO-UHFFFAOYSA-N 2 0 308.441 3.580 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C1CC[NH+](C)CC1 ZINC000120591254 1013304379 /nfs/dbraw/zinc/30/43/79/1013304379.db2.gz LLMBCPGRPGJZCT-QWHCGFSZSA-N 2 0 312.404 3.669 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000398108810 1013352032 /nfs/dbraw/zinc/35/20/32/1013352032.db2.gz CIVNJQDMWQAUMC-LPHOPBHVSA-N 2 0 314.498 3.791 20 0 DHADRP COc1c(Cl)cccc1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001140062596 1013354969 /nfs/dbraw/zinc/35/49/69/1013354969.db2.gz DMOYEQZKWPEWPI-UHFFFAOYSA-N 2 0 310.869 3.653 20 0 DHADRP C[N@H+](CCCC[NH2+]C1CC(c2ccc(F)cc2F)C1)C1CC1 ZINC000894807378 1013494293 /nfs/dbraw/zinc/49/42/93/1013494293.db2.gz UMOWBKOPZGWDRC-UHFFFAOYSA-N 2 0 308.416 3.675 20 0 DHADRP FC(F)(F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983850 1013496608 /nfs/dbraw/zinc/49/66/08/1013496608.db2.gz JXTIMWBFLUFMBO-XYPWUTKMSA-N 2 0 316.411 3.666 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)c2cccs2)C1 ZINC000519717258 1013597009 /nfs/dbraw/zinc/59/70/09/1013597009.db2.gz WWGMJCIGBSWZJJ-BRWVUGGUSA-N 2 0 300.471 3.891 20 0 DHADRP C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000655683567 1013640058 /nfs/dbraw/zinc/64/00/58/1013640058.db2.gz HNQXDYRGNSUMNQ-HRAATJIYSA-N 2 0 324.468 3.744 20 0 DHADRP FC1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167989073 1013656876 /nfs/dbraw/zinc/65/68/76/1013656876.db2.gz XHLXHGDEJXBLOP-JWTNVVGKSA-N 2 0 306.469 3.606 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[C@@H](C)SC3)CC2)CC1 ZINC000655737343 1013675172 /nfs/dbraw/zinc/67/51/72/1013675172.db2.gz LYKQHXWWPPHDMQ-ZLZJIPBDSA-N 2 0 310.551 3.903 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2Cc3ccccc3C2)c1 ZINC000520344307 1013715887 /nfs/dbraw/zinc/71/58/87/1013715887.db2.gz JLQSZIGFQWNZIU-UHFFFAOYSA-N 2 0 308.469 3.643 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655803959 1013727856 /nfs/dbraw/zinc/72/78/56/1013727856.db2.gz JXJAWFBOTSLZNX-NUJGCVRESA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000655806268 1013727873 /nfs/dbraw/zinc/72/78/73/1013727873.db2.gz TWKBDFLQRAQSRV-SGMGOOAPSA-N 2 0 316.367 3.576 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805652 1013728005 /nfs/dbraw/zinc/72/80/05/1013728005.db2.gz JTWXPAZDLDTAQG-FPMFFAJLSA-N 2 0 309.523 3.740 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000655804307 1013726297 /nfs/dbraw/zinc/72/62/97/1013726297.db2.gz TXMWVRQPOMSPCQ-OXXUSNJHSA-N 2 0 306.881 3.906 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000655802504 1013726917 /nfs/dbraw/zinc/72/69/17/1013726917.db2.gz DGFKXNRKWHDRRR-QIIPPGSGSA-N 2 0 304.503 3.716 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805972 1013727663 /nfs/dbraw/zinc/72/76/63/1013727663.db2.gz VEQXZQXWMHNMSC-UPJWGTAASA-N 2 0 300.899 3.652 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1C(F)(F)F ZINC000655807762 1013729988 /nfs/dbraw/zinc/72/99/88/1013729988.db2.gz USRVEMDXPHOFLA-UPJWGTAASA-N 2 0 300.368 3.696 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OC(F)F)cc1 ZINC000655807516 1013730210 /nfs/dbraw/zinc/73/02/10/1013730210.db2.gz NXRUOAJNCYICGD-BJJXKVORSA-N 2 0 312.404 3.669 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000121623895 1013735895 /nfs/dbraw/zinc/73/58/95/1013735895.db2.gz JZMCXPYTNDPIAB-LPHOPBHVSA-N 2 0 324.468 3.618 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCCc2c(O)cccc21)Cc1ccccc1 ZINC000340466091 1013828599 /nfs/dbraw/zinc/82/85/99/1013828599.db2.gz KXDPDQDZDDFHDO-HXUWFJFHSA-N 2 0 324.468 3.881 20 0 DHADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000579985509 1013843657 /nfs/dbraw/zinc/84/36/57/1013843657.db2.gz ARSRZIUZKWERMN-KRWDZBQOSA-N 2 0 304.478 3.920 20 0 DHADRP [NH3+]CCCCCC[NH2+]Cc1ccc(Cl)cc1Br ZINC000843126237 1020438491 /nfs/dbraw/zinc/43/84/91/1020438491.db2.gz FCHIXVXBKJYJNX-UHFFFAOYSA-N 2 0 319.674 3.711 20 0 DHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169473 1013883920 /nfs/dbraw/zinc/88/39/20/1013883920.db2.gz YTJFZQUQWXIAOQ-CHWSQXEVSA-N 2 0 311.267 3.571 20 0 DHADRP F[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340525589 1013916669 /nfs/dbraw/zinc/91/66/69/1013916669.db2.gz WRZVNFWMQGANOV-TZOQOTQKSA-N 2 0 302.437 3.662 20 0 DHADRP CC1CC[NH+](CCC[C@H]([NH2+]CCF)c2ccc(F)cc2)CC1 ZINC000340538503 1013947038 /nfs/dbraw/zinc/94/70/38/1013947038.db2.gz OPNNUGDZXJVYTN-SFHVURJKSA-N 2 0 310.432 3.938 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000340539859 1013950554 /nfs/dbraw/zinc/95/05/54/1013950554.db2.gz CKHKQSJDDNXZDR-CTWPCTMYSA-N 2 0 318.530 3.915 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000122323329 1013964275 /nfs/dbraw/zinc/96/42/75/1013964275.db2.gz ZAADYTNDQSGKCG-WMLDXEAASA-N 2 0 322.880 3.794 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683765199 1013965630 /nfs/dbraw/zinc/96/56/30/1013965630.db2.gz GROSZCNBWKSTGL-KRWDZBQOSA-N 2 0 311.473 3.837 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000683768685 1013977976 /nfs/dbraw/zinc/97/79/76/1013977976.db2.gz IXSZWRSZZRBQEA-UHFFFAOYSA-N 2 0 319.452 3.976 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)s1 ZINC000045664205 1014029110 /nfs/dbraw/zinc/02/91/10/1014029110.db2.gz WEEVBSNCKHPZTO-SNVBAGLBSA-N 2 0 305.285 3.503 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCOC(C)C)C2)s1 ZINC000580127209 1014039852 /nfs/dbraw/zinc/03/98/52/1014039852.db2.gz BRCOEGMWAAXMDD-QGZVFWFLSA-N 2 0 324.534 3.625 20 0 DHADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000580136058 1014041898 /nfs/dbraw/zinc/04/18/98/1014041898.db2.gz GOZBZTPYQYFJLN-TXJVSEOTSA-N 2 0 302.506 3.928 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000564583995 1014048494 /nfs/dbraw/zinc/04/84/94/1014048494.db2.gz CTSKMCBZUAYAMG-LSDHHAIUSA-N 2 0 314.395 3.843 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1cccc(Cl)c1 ZINC000556888087 1014102078 /nfs/dbraw/zinc/10/20/78/1014102078.db2.gz XCHKBAKKCHQRFX-BNEJOLLZSA-N 2 0 322.880 3.570 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](COCc2ccccc2)c2ccccc2)C1 ZINC000656196906 1014104616 /nfs/dbraw/zinc/10/46/16/1014104616.db2.gz UCGLNJQMMAEUMZ-NJDAHSKKSA-N 2 0 324.468 3.804 20 0 DHADRP C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000683930529 1014120956 /nfs/dbraw/zinc/12/09/56/1014120956.db2.gz QQBRYSPHAGAUJN-RDJZCZTQSA-N 2 0 311.473 3.911 20 0 DHADRP CC(C)[NH2+]CCCN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000580431851 1014131434 /nfs/dbraw/zinc/13/14/34/1014131434.db2.gz MLLRGKGDRFUFBU-ZDUSSCGKSA-N 2 0 321.465 3.988 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-c3ccccc3)o2)C1 ZINC000580499000 1014176242 /nfs/dbraw/zinc/17/62/42/1014176242.db2.gz JDFJRNQVUNDBND-MJGOQNOKSA-N 2 0 310.441 3.863 20 0 DHADRP Cc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1C(F)(F)F ZINC001168298189 1032086608 /nfs/dbraw/zinc/08/66/08/1032086608.db2.gz DCLZHTARDNELIZ-UHFFFAOYSA-N 2 0 314.395 3.976 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000262012564 1014273970 /nfs/dbraw/zinc/27/39/70/1014273970.db2.gz WQQVBQHKWCZSMB-INIZCTEOSA-N 2 0 312.379 3.669 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCS2 ZINC000427598990 1014348477 /nfs/dbraw/zinc/34/84/77/1014348477.db2.gz KSGRUVCIQDGFCB-KRWDZBQOSA-N 2 0 304.503 3.916 20 0 DHADRP CN(Cc1ccc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580860618 1014410797 /nfs/dbraw/zinc/41/07/97/1014410797.db2.gz JJHVHZOEXKKMBJ-FOSCPWQOSA-N 2 0 318.408 3.824 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cncc(F)c1 ZINC000926128682 1014449232 /nfs/dbraw/zinc/44/92/32/1014449232.db2.gz UHTOOZROPIVFKL-UONOGXRCSA-N 2 0 301.409 3.694 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008578 1014474890 /nfs/dbraw/zinc/47/48/90/1014474890.db2.gz XMCWGLWQYSAZFY-RMFSNUHRSA-N 2 0 323.484 3.655 20 0 DHADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665234508 1014506104 /nfs/dbraw/zinc/50/61/04/1014506104.db2.gz DZVKPBWAAQAVDO-SUMWQHHRSA-N 2 0 315.436 3.660 20 0 DHADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665235742 1014508547 /nfs/dbraw/zinc/50/85/47/1014508547.db2.gz ZEJFJATUAIXEGC-UONOGXRCSA-N 2 0 315.436 3.578 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000581006084 1014511620 /nfs/dbraw/zinc/51/16/20/1014511620.db2.gz ZOCIQRJXRIKQFZ-DURBHZJOSA-N 2 0 309.457 3.651 20 0 DHADRP C[C@@H]1CC([NH2+]CCc2ccco2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168010493 1014528553 /nfs/dbraw/zinc/52/85/53/1014528553.db2.gz JSPXVTBUSKXMCN-IAGOWNOFSA-N 2 0 312.457 3.853 20 0 DHADRP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665246087 1014533102 /nfs/dbraw/zinc/53/31/02/1014533102.db2.gz YSSXSCGNOZJAMA-CTNGQTDRSA-N 2 0 322.452 3.649 20 0 DHADRP COc1cccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000065976611 1014614637 /nfs/dbraw/zinc/61/46/37/1014614637.db2.gz YQQWDFGEWYQTGZ-UHFFFAOYSA-N 2 0 312.457 3.825 20 0 DHADRP C[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000665272911 1014629477 /nfs/dbraw/zinc/62/94/77/1014629477.db2.gz NHGSZIXITKVBRP-ONGXEEELSA-N 2 0 320.321 3.770 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)ccc2c1 ZINC000665279389 1014662290 /nfs/dbraw/zinc/66/22/90/1014662290.db2.gz BNLNRLLJWQZZGE-IFXJQAMLSA-N 2 0 300.446 3.872 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)ccc1Cl ZINC000665279380 1014662812 /nfs/dbraw/zinc/66/28/12/1014662812.db2.gz BHLMLGJIXMAKNQ-SYJJWHGVSA-N 2 0 322.880 3.538 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000665281186 1014664565 /nfs/dbraw/zinc/66/45/65/1014664565.db2.gz WRQCPBHDDGYXEB-JQHSSLGASA-N 2 0 322.468 3.824 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000665280816 1014670352 /nfs/dbraw/zinc/67/03/52/1014670352.db2.gz MHBGIPGSKYHAME-MGPQQGTHSA-N 2 0 305.491 3.751 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)[C@H](C)C1 ZINC000581280762 1014677284 /nfs/dbraw/zinc/67/72/84/1014677284.db2.gz YEWSABVSNPQKDZ-LMCOJAPRSA-N 2 0 322.537 3.705 20 0 DHADRP CCN(CCC[NH+]1CCCC1)Cc1ccc2nc(C)sc2c1 ZINC000349381618 1014691121 /nfs/dbraw/zinc/69/11/21/1014691121.db2.gz HRQWXNXHGHFCML-UHFFFAOYSA-N 2 0 317.502 3.913 20 0 DHADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](CC1CCC1)[C@H](C)c1ccccc1 ZINC001167454421 1014704059 /nfs/dbraw/zinc/70/40/59/1014704059.db2.gz WABPZEZMJWQVOO-XLIONFOSSA-N 2 0 318.505 3.551 20 0 DHADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC001167454420 1014705562 /nfs/dbraw/zinc/70/55/62/1014705562.db2.gz WABPZEZMJWQVOO-PXNSSMCTSA-N 2 0 318.505 3.551 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000294665735 1032103018 /nfs/dbraw/zinc/10/30/18/1032103018.db2.gz ACNGZJCEUQUZKZ-LJQANCHMSA-N 2 0 316.489 3.718 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442830323 1014745260 /nfs/dbraw/zinc/74/52/60/1014745260.db2.gz YEAFAOBWZZTHIC-FHERZECASA-N 2 0 302.453 3.768 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000442929048 1014771641 /nfs/dbraw/zinc/77/16/41/1014771641.db2.gz QPUYOWBBVDLHKE-HNNXBMFYSA-N 2 0 300.471 3.976 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000442928590 1014773203 /nfs/dbraw/zinc/77/32/03/1014773203.db2.gz PZIMDBKQTOFNLQ-MRXNPFEDSA-N 2 0 302.462 3.569 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000665301242 1014783833 /nfs/dbraw/zinc/78/38/33/1014783833.db2.gz RZWQDYMZYOJLAZ-BFHYXJOUSA-N 2 0 306.416 3.865 20 0 DHADRP CC(C)[N@H+](Cc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000123930837 1014784897 /nfs/dbraw/zinc/78/48/97/1014784897.db2.gz IJPAAZGNXAOUKZ-UHFFFAOYSA-N 2 0 300.471 3.804 20 0 DHADRP CC(C)[C@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000474106218 1015025667 /nfs/dbraw/zinc/02/56/67/1015025667.db2.gz MVSNGLKBEHBKOB-FQEVSTJZSA-N 2 0 300.490 3.986 20 0 DHADRP c1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000656682581 1015063697 /nfs/dbraw/zinc/06/36/97/1015063697.db2.gz DPAYMVVLHZAVRM-OAQYLSRUSA-N 2 0 321.468 3.571 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639312395 1015064419 /nfs/dbraw/zinc/06/44/19/1015064419.db2.gz XSSUWXRXQMPWAT-HNBVOPMISA-N 2 0 314.473 3.512 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000113516146 1015066672 /nfs/dbraw/zinc/06/66/72/1015066672.db2.gz CPPPVCYVXQSGKC-CQSZACIVSA-N 2 0 312.910 3.706 20 0 DHADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000443653022 1015076305 /nfs/dbraw/zinc/07/63/05/1015076305.db2.gz HBEULDRYUYXZQR-XEYPJELSSA-N 2 0 302.506 3.928 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656783092 1015148585 /nfs/dbraw/zinc/14/85/85/1015148585.db2.gz NYOWNOQJKSHAII-KRWDZBQOSA-N 2 0 308.416 3.836 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788994 1015164114 /nfs/dbraw/zinc/16/41/14/1015164114.db2.gz HRXVJYUREQFPIZ-RBUKOAKNSA-N 2 0 316.489 3.971 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000182521479 1015201155 /nfs/dbraw/zinc/20/11/55/1015201155.db2.gz HSRWROAHOGTSLG-GXTWGEPZSA-N 2 0 316.367 3.720 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000182521440 1015206885 /nfs/dbraw/zinc/20/68/85/1015206885.db2.gz HSRWROAHOGTSLG-JSGCOSHPSA-N 2 0 316.367 3.720 20 0 DHADRP C[NH+](C)C1CCC(n2c3ccccc3c3c2CC[C@H]([NH3+])C3)CC1 ZINC001168300526 1032113230 /nfs/dbraw/zinc/11/32/30/1032113230.db2.gz ZEHGMYRLNZGMOX-FHERZECASA-N 2 0 311.473 3.503 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000237323926 1015273964 /nfs/dbraw/zinc/27/39/64/1015273964.db2.gz BPURITZQVFDDNA-INIZCTEOSA-N 2 0 312.457 3.792 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2csc(C(F)(F)F)n2)CC1 ZINC000895821984 1015318253 /nfs/dbraw/zinc/31/82/53/1015318253.db2.gz HKFQKNHVFJGILD-UHFFFAOYSA-N 2 0 321.412 3.514 20 0 DHADRP CC(C)[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000474404904 1015331573 /nfs/dbraw/zinc/33/15/73/1015331573.db2.gz ZNPGLYGRIQFNCI-AABGKKOBSA-N 2 0 300.490 3.842 20 0 DHADRP CC(C)[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000474404907 1015331964 /nfs/dbraw/zinc/33/19/64/1015331964.db2.gz ZNPGLYGRIQFNCI-UFYCRDLUSA-N 2 0 300.490 3.842 20 0 DHADRP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723694075 1015377544 /nfs/dbraw/zinc/37/75/44/1015377544.db2.gz CMRVQTHBNYYUTC-WFASDCNBSA-N 2 0 311.267 3.571 20 0 DHADRP CCCSC[C@@H](C)[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000896036016 1015419513 /nfs/dbraw/zinc/41/95/13/1015419513.db2.gz ZGBDAWIUBKRQRA-WBVHZDCISA-N 2 0 303.475 3.746 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000474594408 1015475261 /nfs/dbraw/zinc/47/52/61/1015475261.db2.gz AOMGDTIQGMPTDX-FCGDIQPGSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000474612452 1015486306 /nfs/dbraw/zinc/48/63/06/1015486306.db2.gz JKYGTNRTYIPMHY-XHSDSOJGSA-N 2 0 312.567 3.864 20 0 DHADRP c1cc(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cs1 ZINC000581948160 1015581926 /nfs/dbraw/zinc/58/19/26/1015581926.db2.gz AEXUMSNEBXWXNT-UHFFFAOYSA-N 2 0 312.482 3.773 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000474818117 1015618554 /nfs/dbraw/zinc/61/85/54/1015618554.db2.gz PZBPPNVKHHYUQU-LPHOPBHVSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000158258126 1015679498 /nfs/dbraw/zinc/67/94/98/1015679498.db2.gz MYCPRKOLCAZQFE-OLZOCXBDSA-N 2 0 316.367 3.578 20 0 DHADRP CCSC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001173295218 1033653269 /nfs/dbraw/zinc/65/32/69/1033653269.db2.gz JXXPNZSNKQXPOP-ZDUSSCGKSA-N 2 0 312.910 3.731 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000474892833 1015690505 /nfs/dbraw/zinc/69/05/05/1015690505.db2.gz AMFPGZFXEMQHRO-WOJBJXKFSA-N 2 0 318.505 3.822 20 0 DHADRP CCSC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001173301992 1033655292 /nfs/dbraw/zinc/65/52/92/1033655292.db2.gz NJFREUNVCQCAMS-LMMKCTJWSA-N 2 0 320.546 3.876 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000341763722 1015727967 /nfs/dbraw/zinc/72/79/67/1015727967.db2.gz XZZJSEVNEWDSNT-YOEHRIQHSA-N 2 0 322.880 3.875 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000684558006 1015736752 /nfs/dbraw/zinc/73/67/52/1015736752.db2.gz TVWIVCYTYAUBBZ-UCLAIMLFSA-N 2 0 304.453 3.782 20 0 DHADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](C)CC(C)(C)C)CC2)CC1 ZINC000878321178 1033658511 /nfs/dbraw/zinc/65/85/11/1033658511.db2.gz CFWJCXIAWUATMF-GOSISDBHSA-N 2 0 323.569 3.549 20 0 DHADRP Cc1ccccc1C1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000647224346 1015784437 /nfs/dbraw/zinc/78/44/37/1015784437.db2.gz CJAGLEJOKXVWDP-UHFFFAOYSA-N 2 0 324.468 3.714 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000535813099 1015833542 /nfs/dbraw/zinc/83/35/42/1015833542.db2.gz BOJQZODYDLADPF-SNAWJCMRSA-N 2 0 304.453 3.891 20 0 DHADRP CCOc1ccccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535815268 1015834319 /nfs/dbraw/zinc/83/43/19/1015834319.db2.gz XSVFZADWSHNNHK-UHFFFAOYSA-N 2 0 304.478 3.638 20 0 DHADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000277166732 1015971677 /nfs/dbraw/zinc/97/16/77/1015971677.db2.gz KNHQGKFUUMYWNY-CQSZACIVSA-N 2 0 316.367 3.501 20 0 DHADRP Fc1ccc2c(c1)nccc2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150893311 1015998522 /nfs/dbraw/zinc/99/85/22/1015998522.db2.gz FFIVEFGQPOUUAZ-INIZCTEOSA-N 2 0 313.420 3.829 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000151036493 1016016177 /nfs/dbraw/zinc/01/61/77/1016016177.db2.gz HJXSMLVEEFCZIY-TZMCWYRMSA-N 2 0 319.836 3.519 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294748276 1032138782 /nfs/dbraw/zinc/13/87/82/1032138782.db2.gz LUOBNHAYHGKZAA-SFHVURJKSA-N 2 0 304.865 3.513 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657283703 1016185595 /nfs/dbraw/zinc/18/55/95/1016185595.db2.gz HDHHBEGCIDYYBN-AWEZNQCLSA-N 2 0 305.491 3.896 20 0 DHADRP Fc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C(F)F ZINC000892098469 1016218044 /nfs/dbraw/zinc/21/80/44/1016218044.db2.gz DTLKUYUGQNITCQ-AWEZNQCLSA-N 2 0 312.379 3.681 20 0 DHADRP COc1ccccc1[C@H](CC(C)C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000342308902 1016250519 /nfs/dbraw/zinc/25/05/19/1016250519.db2.gz URQFTVSKRPJFNX-AEFFLSMTSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC001167534018 1016310353 /nfs/dbraw/zinc/31/03/53/1016310353.db2.gz QDRNTWLDESFZDQ-GOSISDBHSA-N 2 0 322.537 3.780 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000056524190 1016320117 /nfs/dbraw/zinc/32/01/17/1016320117.db2.gz VROAWYUORWAZJF-UHFFFAOYSA-N 2 0 314.395 3.869 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(COC)cs2)c1 ZINC000657347572 1016399568 /nfs/dbraw/zinc/39/95/68/1016399568.db2.gz BWZWNKADTNPYRF-UHFFFAOYSA-N 2 0 318.486 3.636 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1ccnc1)CC2 ZINC000152252750 1016435169 /nfs/dbraw/zinc/43/51/69/1016435169.db2.gz WXSWXCCINXRPHT-LJQANCHMSA-N 2 0 303.409 3.958 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCCO1 ZINC000346555764 1016454844 /nfs/dbraw/zinc/45/48/44/1016454844.db2.gz PJMOUAVXUMXABP-PXNSSMCTSA-N 2 0 316.489 3.720 20 0 DHADRP C[NH+](C)CC(C)(C)C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001207282714 1016517680 /nfs/dbraw/zinc/51/76/80/1016517680.db2.gz NDHBVIKNPHHGTK-UHFFFAOYSA-N 2 0 303.494 3.804 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccccc3Cl)cc2)CC1 ZINC000629690330 1016535305 /nfs/dbraw/zinc/53/53/05/1016535305.db2.gz HZMFARCHZMKPQR-UHFFFAOYSA-N 2 0 300.833 3.930 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)[nH]c2c1 ZINC000657386366 1016564037 /nfs/dbraw/zinc/56/40/37/1016564037.db2.gz FXMPWCVOMZOGFP-UHFFFAOYSA-N 2 0 311.473 3.973 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)C[C@H]21 ZINC000346819734 1016565569 /nfs/dbraw/zinc/56/55/69/1016565569.db2.gz DYRQAHVAQHWULD-FDQGKXFDSA-N 2 0 314.404 3.645 20 0 DHADRP COc1cc(C)ccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000629754069 1016681149 /nfs/dbraw/zinc/68/11/49/1016681149.db2.gz JYOXSIXGZYUEKQ-UHFFFAOYSA-N 2 0 310.441 3.594 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000347034244 1016701520 /nfs/dbraw/zinc/70/15/20/1016701520.db2.gz CKGVOEFHDYMEEA-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000347049082 1016702701 /nfs/dbraw/zinc/70/27/01/1016702701.db2.gz PULPRSDKEOOSCA-GFCCVEGCSA-N 2 0 319.449 3.508 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000347055879 1016710404 /nfs/dbraw/zinc/71/04/04/1016710404.db2.gz URJXRBXNEBJOQK-SNVBAGLBSA-N 2 0 318.795 3.501 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000347084197 1016731826 /nfs/dbraw/zinc/73/18/26/1016731826.db2.gz ZZDABWGIBODVHC-GDBMZVCRSA-N 2 0 315.486 3.678 20 0 DHADRP COCc1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000657429178 1016747571 /nfs/dbraw/zinc/74/75/71/1016747571.db2.gz GGPXEFLGSWTKRP-HOCLYGCPSA-N 2 0 322.518 3.637 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339068215 1016789428 /nfs/dbraw/zinc/78/94/28/1016789428.db2.gz MRWHOCCYYCXNNG-IJXRJRJASA-N 2 0 316.489 3.617 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCc2ccncc2)C1 ZINC000347289003 1016850280 /nfs/dbraw/zinc/85/02/80/1016850280.db2.gz SCRCNBCXABVIBX-UYAOXDASSA-N 2 0 315.505 3.601 20 0 DHADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623335889 1016965665 /nfs/dbraw/zinc/96/56/65/1016965665.db2.gz KGJZKVBFUXQKCA-RTBURBONSA-N 2 0 317.521 3.532 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc2c(c1)CCCO2 ZINC000840778506 1016966371 /nfs/dbraw/zinc/96/63/71/1016966371.db2.gz JLYRKFDGUAJCFS-LJQANCHMSA-N 2 0 321.424 3.900 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623339296 1016966897 /nfs/dbraw/zinc/96/68/97/1016966897.db2.gz SCIRABDSYADXDL-HNNXBMFYSA-N 2 0 314.395 3.710 20 0 DHADRP Cc1cc2[nH]c(C[N@H+]3CCCC34CC[NH+](C)CC4)cc2c(C)c1 ZINC000475121352 1016975293 /nfs/dbraw/zinc/97/52/93/1016975293.db2.gz QGIDNNLEHQNVJD-UHFFFAOYSA-N 2 0 311.473 3.845 20 0 DHADRP COc1ccc(CC2([NH2+]C3CCC([NH+](C)C)CC3)CCC2)cc1 ZINC001168306043 1032152745 /nfs/dbraw/zinc/15/27/45/1032152745.db2.gz PCYKTELQFRSARE-UHFFFAOYSA-N 2 0 316.489 3.623 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192826501 1017011778 /nfs/dbraw/zinc/01/17/78/1017011778.db2.gz GMOPSSXTNXQQCE-LJQANCHMSA-N 2 0 301.478 3.645 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000623442671 1017051729 /nfs/dbraw/zinc/05/17/29/1017051729.db2.gz YLMHQFUHFHZNGT-MCIONIFRSA-N 2 0 306.416 3.818 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000361925212 1032155461 /nfs/dbraw/zinc/15/54/61/1032155461.db2.gz HXQZOYZXRKKIRQ-HOCLYGCPSA-N 2 0 324.534 3.634 20 0 DHADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Br)cc3)(C1)CCC2 ZINC001279145930 1017240361 /nfs/dbraw/zinc/24/03/61/1017240361.db2.gz WIANNUTYILCXFA-JKSUJKDBSA-N 2 0 323.278 3.604 20 0 DHADRP C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000666922901 1032246425 /nfs/dbraw/zinc/24/64/25/1032246425.db2.gz RCKVULLCYWQAOF-DKSSEZFCSA-N 2 0 304.453 3.687 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)CC1(C)C ZINC000623477919 1017071953 /nfs/dbraw/zinc/07/19/53/1017071953.db2.gz WKDXSCQEDHQLKY-AWEZNQCLSA-N 2 0 306.881 3.834 20 0 DHADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1OC(F)F ZINC000295087322 1032269148 /nfs/dbraw/zinc/26/91/48/1032269148.db2.gz SSNBAWBBXXHCFG-MQVJKMGUSA-N 2 0 324.415 3.620 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C)c(C)s2)CC1 ZINC000088578583 1032306317 /nfs/dbraw/zinc/30/63/17/1032306317.db2.gz OQBSRQZEMOKDSR-UHFFFAOYSA-N 2 0 309.523 3.704 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)C)CC2)cc1 ZINC000120668542 1032380381 /nfs/dbraw/zinc/38/03/81/1032380381.db2.gz WMLRWKGDJDQVNA-INIZCTEOSA-N 2 0 304.478 3.541 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)c2)CC1 ZINC000630050367 1017268470 /nfs/dbraw/zinc/26/84/70/1017268470.db2.gz AVAZNLBDLOYUPI-UHFFFAOYSA-N 2 0 300.833 3.930 20 0 DHADRP Cc1ccc(C[NH+]2CCCCC2)cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171338245 1032438374 /nfs/dbraw/zinc/43/83/74/1032438374.db2.gz CQIXUXBLPLJGRX-SFHVURJKSA-N 2 0 301.478 3.535 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340551 1032453003 /nfs/dbraw/zinc/45/30/03/1032453003.db2.gz KJVLABJVRGVONS-RHSMWYFYSA-N 2 0 322.443 3.676 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000115628309 1017081408 /nfs/dbraw/zinc/08/14/08/1017081408.db2.gz HSNOWYDPHNBFTQ-UYAOXDASSA-N 2 0 318.505 3.530 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000623521193 1017086866 /nfs/dbraw/zinc/08/68/66/1017086866.db2.gz NJIMSFFTZVAURS-HOTGVXAUSA-N 2 0 320.477 3.617 20 0 DHADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171343418 1032467737 /nfs/dbraw/zinc/46/77/37/1032467737.db2.gz XNMIOCXPAZXMLR-MRXNPFEDSA-N 2 0 310.432 3.534 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000075007514 1017284275 /nfs/dbraw/zinc/28/42/75/1017284275.db2.gz FUZIFHXUAMXAEN-KRWDZBQOSA-N 2 0 304.478 3.570 20 0 DHADRP CCOc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623544716 1017095772 /nfs/dbraw/zinc/09/57/72/1017095772.db2.gz HHSOFEOEORKOJT-SJLPKXTDSA-N 2 0 318.505 3.726 20 0 DHADRP CC(C)(C)[NH+]1CCC(N[C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000348206088 1032503181 /nfs/dbraw/zinc/50/31/81/1032503181.db2.gz KTHIOVGBUHTCQK-KRWDZBQOSA-N 2 0 324.896 3.616 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)CC(C)(C)CC[NH3+] ZINC001171356263 1032514089 /nfs/dbraw/zinc/51/40/89/1032514089.db2.gz ZJJMKKARHBXCMB-CZUORRHYSA-N 2 0 324.459 3.813 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122320903 1032533524 /nfs/dbraw/zinc/53/35/24/1032533524.db2.gz YSNDGQHUZZPFKL-IIBYNOLFSA-N 2 0 324.468 3.650 20 0 DHADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1N(C)C ZINC000537643550 1032566483 /nfs/dbraw/zinc/56/64/83/1032566483.db2.gz CJTAFDPELXYDEY-MAUKXSAKSA-N 2 0 305.510 3.770 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000541555113 1032581187 /nfs/dbraw/zinc/58/11/87/1032581187.db2.gz MKNAEXVBOBLZQM-NJAFHUGGSA-N 2 0 310.551 3.905 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172846873 1033416665 /nfs/dbraw/zinc/41/66/65/1033416665.db2.gz YZWQMQFPRXPFLV-CYBMUJFWSA-N 2 0 312.860 3.874 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC000187687426 1011939253 /nfs/dbraw/zinc/93/92/53/1011939253.db2.gz MNILOQDRTDNRLD-CQSZACIVSA-N 2 0 306.881 3.908 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000424280068 1011971051 /nfs/dbraw/zinc/97/10/51/1011971051.db2.gz LIOGBTWCIYZNBK-CYBMUJFWSA-N 2 0 322.880 3.874 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)C[C@](C)(C[NH3+])C1 ZINC001171405421 1032594966 /nfs/dbraw/zinc/59/49/66/1032594966.db2.gz UTAGLTNYGUNOOM-FTRWYGJKSA-N 2 0 318.480 3.816 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546316 1012092529 /nfs/dbraw/zinc/09/25/29/1012092529.db2.gz MKLZVSRMIAHFGU-RDJZCZTQSA-N 2 0 302.462 3.799 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3c(F)cccc3C2)CC1(C)C ZINC001171407478 1032599669 /nfs/dbraw/zinc/59/96/69/1032599669.db2.gz INCIYZOICMJZPC-HNNXBMFYSA-N 2 0 318.480 3.924 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C(C)C)cc1 ZINC000643548619 1012120319 /nfs/dbraw/zinc/12/03/19/1012120319.db2.gz RZQCERGFLWXEFD-AEFFLSMTSA-N 2 0 302.462 3.657 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953555 1032602782 /nfs/dbraw/zinc/60/27/82/1032602782.db2.gz BBOYVWFMYDAFOQ-USXIJHARSA-N 2 0 304.865 3.708 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171415265 1032615431 /nfs/dbraw/zinc/61/54/31/1032615431.db2.gz ZXHDNECDMIWOEO-KZNAEPCWSA-N 2 0 316.464 3.665 20 0 DHADRP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1Cl ZINC000577823491 1012299105 /nfs/dbraw/zinc/29/91/05/1012299105.db2.gz PSPRAAWWIBERHG-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001280093831 1012383832 /nfs/dbraw/zinc/38/38/32/1012383832.db2.gz WOIDLZCTQNCDMN-NEWSRXKRSA-N 2 0 301.478 3.951 20 0 DHADRP Cc1ncccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000153615809 1012435295 /nfs/dbraw/zinc/43/52/95/1012435295.db2.gz GTVAOHFJBOEGIT-IAGOWNOFSA-N 2 0 323.484 3.636 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000425337983 1012461044 /nfs/dbraw/zinc/46/10/44/1012461044.db2.gz APEIKWPJXHCVOO-CGHHPOIWSA-N 2 0 318.530 3.627 20 0 DHADRP C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C1CC[NH+](C)CC1 ZINC000119352776 1012474147 /nfs/dbraw/zinc/47/41/47/1012474147.db2.gz BNNFKPWUOUYKSL-IFXJQAMLSA-N 2 0 304.453 3.987 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000425370329 1012504041 /nfs/dbraw/zinc/50/40/41/1012504041.db2.gz NWXBDFNNMDKVEC-DLBZAZTESA-N 2 0 304.503 3.525 20 0 DHADRP CC1(C)OCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000515075104 1012549734 /nfs/dbraw/zinc/54/97/34/1012549734.db2.gz DQPMLNQEUSWYFU-LJQANCHMSA-N 2 0 316.489 3.720 20 0 DHADRP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000515232813 1012583839 /nfs/dbraw/zinc/58/38/39/1012583839.db2.gz YYKWJWPXFGUAQT-GVDBMIGSSA-N 2 0 304.503 3.637 20 0 DHADRP CCC1(C[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000435739256 1012590570 /nfs/dbraw/zinc/59/05/70/1012590570.db2.gz FSTXVFNWOIRNBH-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP CN(CC[C@H]1CCC[N@@H+]1C)Cc1cccc(C(F)(F)F)c1 ZINC000179405301 1012673094 /nfs/dbraw/zinc/67/30/94/1012673094.db2.gz HUCWAPPRRAWLNJ-OAHLLOKOSA-N 2 0 300.368 3.622 20 0 DHADRP Cn1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc2ccccc21 ZINC001167960746 1012735989 /nfs/dbraw/zinc/73/59/89/1012735989.db2.gz BDOOECVAGCWGOH-YQQQUEKLSA-N 2 0 323.484 3.673 20 0 DHADRP C[C@@H]([NH3+])c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961900 1012816416 /nfs/dbraw/zinc/81/64/16/1012816416.db2.gz QAVLNPJNIQUPOE-KTFSGNIMSA-N 2 0 324.472 3.634 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171435036 1032660822 /nfs/dbraw/zinc/66/08/22/1032660822.db2.gz WGSVVOSCAGKXFB-GOSISDBHSA-N 2 0 318.480 3.735 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000317190648 1012893826 /nfs/dbraw/zinc/89/38/26/1012893826.db2.gz RYHWUCURFWQGEZ-INIZCTEOSA-N 2 0 304.478 3.567 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180094883 1013031819 /nfs/dbraw/zinc/03/18/19/1013031819.db2.gz RGSPZRWFSWLCCM-QFBILLFUSA-N 2 0 318.530 3.877 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177912073 1017147173 /nfs/dbraw/zinc/14/71/73/1017147173.db2.gz FPWVDXWXURHCFU-GJYPPUQNSA-N 2 0 312.457 3.537 20 0 DHADRP COc1ccc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)ccc2c1 ZINC000623654750 1017152123 /nfs/dbraw/zinc/15/21/23/1017152123.db2.gz IAEIBBLNOUDVFE-QGZVFWFLSA-N 2 0 312.457 3.670 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000623657118 1017155151 /nfs/dbraw/zinc/15/51/51/1017155151.db2.gz KBRDWHCDRUTNIG-SLTAFYQDSA-N 2 0 306.416 3.677 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656750 1017156137 /nfs/dbraw/zinc/15/61/37/1017156137.db2.gz AWGTVCXBAVMMEF-XCMFGDQWSA-N 2 0 316.489 3.558 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000178169153 1017165943 /nfs/dbraw/zinc/16/59/43/1017165943.db2.gz ONUCRDFUCAITKB-CPUCHLNUSA-N 2 0 310.482 3.626 20 0 DHADRP CC[C@@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537250 1017224562 /nfs/dbraw/zinc/22/45/62/1017224562.db2.gz FFSXPNAJOQWTQB-IEBWSBKVSA-N 2 0 322.537 3.683 20 0 DHADRP CN(C)c1ccncc1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623752046 1017345453 /nfs/dbraw/zinc/34/54/53/1017345453.db2.gz XPOGWNJLVSUHFF-KRWDZBQOSA-N 2 0 315.848 3.968 20 0 DHADRP CSCC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685101 1032701244 /nfs/dbraw/zinc/70/12/44/1032701244.db2.gz WZLNOWKQKAQGSP-KANFNMMFSA-N 2 0 318.530 3.771 20 0 DHADRP Cc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)ccn1 ZINC000716717051 1032704027 /nfs/dbraw/zinc/70/40/27/1032704027.db2.gz ILXJGUDTEZDDNS-ACRUOGEOSA-N 2 0 321.468 3.533 20 0 DHADRP CN(C)c1ccncc1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623833305 1017520884 /nfs/dbraw/zinc/52/08/84/1017520884.db2.gz XPOGWNJLVSUHFF-QGZVFWFLSA-N 2 0 315.848 3.968 20 0 DHADRP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000623866499 1017541518 /nfs/dbraw/zinc/54/15/18/1017541518.db2.gz YGUFETCAPWTJBP-PBFPGSCMSA-N 2 0 308.828 3.683 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000857901499 1032706787 /nfs/dbraw/zinc/70/67/87/1032706787.db2.gz KLEWDTCFLLFQDI-MRXNPFEDSA-N 2 0 315.848 3.574 20 0 DHADRP C[C@H](CN[C@H](C)c1ccc(F)cc1C(F)(F)F)C[NH+](C)C ZINC000623987753 1017614786 /nfs/dbraw/zinc/61/47/86/1017614786.db2.gz NOJMZBOXYUJCLU-GHMZBOCLSA-N 2 0 306.347 3.693 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC000444646105 1017604956 /nfs/dbraw/zinc/60/49/56/1017604956.db2.gz YQKFQLVGFDTOQV-MRXNPFEDSA-N 2 0 300.471 3.799 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)C1CC1 ZINC000623998529 1017627826 /nfs/dbraw/zinc/62/78/26/1017627826.db2.gz VLYPHMRHMPNIOA-QGZVFWFLSA-N 2 0 310.844 3.930 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000925158506 1017644661 /nfs/dbraw/zinc/64/46/61/1017644661.db2.gz UORNVCNJTSGIDS-QGZVFWFLSA-N 2 0 322.880 3.623 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171465849 1032714347 /nfs/dbraw/zinc/71/43/47/1032714347.db2.gz JZTMHEVYTDJVAQ-QGZVFWFLSA-N 2 0 322.443 3.534 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119696 1017693452 /nfs/dbraw/zinc/69/34/52/1017693452.db2.gz HGLUCZKRVMLQFH-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000624122254 1017695483 /nfs/dbraw/zinc/69/54/83/1017695483.db2.gz NDUCIGVNJSUJLI-SJLPKXTDSA-N 2 0 304.478 3.776 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC000090664157 1017789493 /nfs/dbraw/zinc/78/94/93/1017789493.db2.gz VXSAPZQUBDQEFP-INIZCTEOSA-N 2 0 309.457 3.569 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC000342918738 1017790207 /nfs/dbraw/zinc/79/02/07/1017790207.db2.gz RHJDMXOVDJTKNN-UHFFFAOYSA-N 2 0 318.505 3.626 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090881662 1017820140 /nfs/dbraw/zinc/82/01/40/1017820140.db2.gz SEPPFBWMFKLRNW-CQSZACIVSA-N 2 0 324.896 3.601 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445398344 1017845191 /nfs/dbraw/zinc/84/51/91/1017845191.db2.gz STPXYYMXFNZDBU-SJORKVTESA-N 2 0 300.490 3.900 20 0 DHADRP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000445405527 1017847275 /nfs/dbraw/zinc/84/72/75/1017847275.db2.gz UBUFPXSSNFYCKR-FUHWJXTLSA-N 2 0 312.501 3.900 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000182027677 1017850059 /nfs/dbraw/zinc/85/00/59/1017850059.db2.gz LWJYLMUKAVJDTE-WMZOPIPTSA-N 2 0 306.881 3.689 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000565597449 1032728907 /nfs/dbraw/zinc/72/89/07/1032728907.db2.gz KWZQNOZNDFVCAV-RYUDHWBXSA-N 2 0 308.372 3.657 20 0 DHADRP CC(C)C[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000445406340 1017850428 /nfs/dbraw/zinc/85/04/28/1017850428.db2.gz WAZUFCZMWUNIAN-GOSISDBHSA-N 2 0 323.569 3.549 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000182027698 1017851892 /nfs/dbraw/zinc/85/18/92/1017851892.db2.gz LWJYLMUKAVJDTE-AEFFLSMTSA-N 2 0 306.881 3.689 20 0 DHADRP CC(C)[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182063274 1017857123 /nfs/dbraw/zinc/85/71/23/1017857123.db2.gz FWVBZUHOUBTOJN-GOSISDBHSA-N 2 0 310.432 3.983 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2cnccc2c1)c1ccccc1 ZINC000666977371 1032726091 /nfs/dbraw/zinc/72/60/91/1032726091.db2.gz CUUOOFRBWOCJLE-FQEVSTJZSA-N 2 0 305.425 3.805 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624223893 1017891074 /nfs/dbraw/zinc/89/10/74/1017891074.db2.gz HAPISXGQWLAGOV-QZTJIDSGSA-N 2 0 322.537 3.823 20 0 DHADRP COc1ccccc1C1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCC1 ZINC000183958828 1018053811 /nfs/dbraw/zinc/05/38/11/1018053811.db2.gz MVMSYLLGLGLWBP-UHFFFAOYSA-N 2 0 316.489 3.579 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)cc1 ZINC000318699527 1018055656 /nfs/dbraw/zinc/05/56/56/1018055656.db2.gz QGWPOIULVPHLDV-OALUTQOASA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccn(C)c3)cc2)C1 ZINC000123258415 1018056915 /nfs/dbraw/zinc/05/69/15/1018056915.db2.gz KPEBFTGANUSJCZ-QGZVFWFLSA-N 2 0 311.473 3.547 20 0 DHADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000658089492 1018066176 /nfs/dbraw/zinc/06/61/76/1018066176.db2.gz VJZYNGBBWJWUDR-OAHLLOKOSA-N 2 0 306.469 3.918 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)CC2 ZINC000184512381 1018083767 /nfs/dbraw/zinc/08/37/67/1018083767.db2.gz HURIXFLLOJXTHX-DNVCBOLYSA-N 2 0 302.462 3.537 20 0 DHADRP CC1(C)[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(F)F ZINC000657737418 1018125755 /nfs/dbraw/zinc/12/57/55/1018125755.db2.gz FRFMAUXEFBVYFB-KRWDZBQOSA-N 2 0 322.443 3.574 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@H]2CCCNc3ccccc32)CCCC1 ZINC000193287534 1018139764 /nfs/dbraw/zinc/13/97/64/1018139764.db2.gz RSOZMERCMHTNIS-SFHVURJKSA-N 2 0 301.478 3.645 20 0 DHADRP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000525180960 1018194413 /nfs/dbraw/zinc/19/44/13/1018194413.db2.gz SMMORDHRQFVLKU-SJLPKXTDSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000380913137 1018211113 /nfs/dbraw/zinc/21/11/13/1018211113.db2.gz OHDPIZGKHNCUAS-JYBIWHBTSA-N 2 0 300.490 3.923 20 0 DHADRP CN(Cc1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525268944 1018227437 /nfs/dbraw/zinc/22/74/37/1018227437.db2.gz NNYLLKYZWFDLFT-SFHVURJKSA-N 2 0 312.432 3.780 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000446759528 1018245292 /nfs/dbraw/zinc/24/52/92/1018245292.db2.gz GKEXWDOCBKEWHR-ICSRJNTNSA-N 2 0 318.505 3.549 20 0 DHADRP FC(F)Sc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000841073885 1018254465 /nfs/dbraw/zinc/25/44/65/1018254465.db2.gz ZSFNVGKKLXGXNC-ZDUSSCGKSA-N 2 0 300.418 3.623 20 0 DHADRP Cc1cc(C)cc([C@H](NC[C@@H](C)C[NH+](C)C)c2cccnc2)c1 ZINC000926475659 1018289632 /nfs/dbraw/zinc/28/96/32/1018289632.db2.gz VGXSJZYYZHRXLT-YLJYHZDGSA-N 2 0 311.473 3.575 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC[C@H](C)O3)CC2)C1 ZINC000658221913 1018295002 /nfs/dbraw/zinc/29/50/02/1018295002.db2.gz VFYNQJBNEAQIFP-KCITZHQASA-N 2 0 308.510 3.577 20 0 DHADRP CN(C)c1ccc(N2CCC([NH2+]C3CCCCC3)CC2)cc1 ZINC000764551451 1018312675 /nfs/dbraw/zinc/31/26/75/1018312675.db2.gz YXVOOIAZHJCTKA-UHFFFAOYSA-N 2 0 301.478 3.644 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000447136230 1018339030 /nfs/dbraw/zinc/33/90/30/1018339030.db2.gz AUWSZDDHUQNHIC-UHFFFAOYSA-N 2 0 306.881 3.956 20 0 DHADRP C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000764773417 1018372299 /nfs/dbraw/zinc/37/22/99/1018372299.db2.gz HZZCDECRYNILTN-HOTGVXAUSA-N 2 0 316.445 3.502 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000764773728 1018373085 /nfs/dbraw/zinc/37/30/85/1018373085.db2.gz IXOLBVVABRDYCH-HZPDHXFCSA-N 2 0 316.445 3.502 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152469920 1032760612 /nfs/dbraw/zinc/76/06/12/1032760612.db2.gz FAOQZRNFPDXHKG-WBMJQRKESA-N 2 0 322.905 3.951 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc2c(s1)CCC2 ZINC000447558343 1018425308 /nfs/dbraw/zinc/42/53/08/1018425308.db2.gz NSYJZEKZZNIZPD-CYBMUJFWSA-N 2 0 304.503 3.762 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261837851 1018464058 /nfs/dbraw/zinc/46/40/58/1018464058.db2.gz YFGRPEUEKBIQPI-DYVFJYSZSA-N 2 0 324.415 3.813 20 0 DHADRP c1coc(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000658325255 1018474679 /nfs/dbraw/zinc/47/46/79/1018474679.db2.gz LCZQBEGNBPQYJV-OWZKRDHZSA-N 2 0 324.468 3.997 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000447816428 1018476242 /nfs/dbraw/zinc/47/62/42/1018476242.db2.gz KRDXJIBWCIEDTM-AWEZNQCLSA-N 2 0 312.860 3.733 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447941906 1018503154 /nfs/dbraw/zinc/50/31/54/1018503154.db2.gz LNDXSVHZSBTOQX-UHFFFAOYSA-N 2 0 309.523 3.652 20 0 DHADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583491634 1018505693 /nfs/dbraw/zinc/50/56/93/1018505693.db2.gz JYBXRHJECKNIBC-GUDVDZBRSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000635004150 1018508782 /nfs/dbraw/zinc/50/87/82/1018508782.db2.gz CLTDWROSKVPROI-IIAWOOMASA-N 2 0 315.486 3.978 20 0 DHADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012911 1018513740 /nfs/dbraw/zinc/51/37/40/1018513740.db2.gz WZMUWAYGEVSCRF-HXUWFJFHSA-N 2 0 310.416 3.639 20 0 DHADRP C[C@H]([NH2+]CCCCCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000843342976 1018514397 /nfs/dbraw/zinc/51/43/97/1018514397.db2.gz PULNGGUJSISHQR-LBPRGKRZSA-N 2 0 304.356 3.755 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583505247 1018517387 /nfs/dbraw/zinc/51/73/87/1018517387.db2.gz XXTFWBZFOHPVLR-FQEVSTJZSA-N 2 0 322.452 3.678 20 0 DHADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925204785 1018520850 /nfs/dbraw/zinc/52/08/50/1018520850.db2.gz GQSCXYGXMUKDTN-PXNSSMCTSA-N 2 0 322.537 3.704 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@H]1CC[NH3+] ZINC000650710988 1018531752 /nfs/dbraw/zinc/53/17/52/1018531752.db2.gz FGWWPKBRZOXEQT-JXFKEZNVSA-N 2 0 309.457 3.698 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cccc3cccnc32)c2ccccc21 ZINC000261843409 1018559285 /nfs/dbraw/zinc/55/92/85/1018559285.db2.gz IWOYUZVTTKVOQS-MOPGFXCFSA-N 2 0 303.409 3.512 20 0 DHADRP CCSc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650717247 1018561863 /nfs/dbraw/zinc/56/18/63/1018561863.db2.gz VTFIFIHKEZGQDK-UHFFFAOYSA-N 2 0 304.434 3.686 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000675734068 1018568080 /nfs/dbraw/zinc/56/80/80/1018568080.db2.gz ZFBJDNMMYOPHMS-IBGZPJMESA-N 2 0 306.469 3.857 20 0 DHADRP C[C@H]([NH2+]CCOc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000675737651 1018568197 /nfs/dbraw/zinc/56/81/97/1018568197.db2.gz GQAXHICRCNLPHU-INIZCTEOSA-N 2 0 312.457 3.539 20 0 DHADRP C[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000675739846 1018569211 /nfs/dbraw/zinc/56/92/11/1018569211.db2.gz YNLMLUCAAPFHMR-HNNXBMFYSA-N 2 0 311.454 3.714 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)C1CC[NH+](C)CC1 ZINC000675752266 1018573985 /nfs/dbraw/zinc/57/39/85/1018573985.db2.gz XWDRNAJWWCGBBK-INIZCTEOSA-N 2 0 318.480 3.957 20 0 DHADRP C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2s1)C1CC[NH+](C)CC1 ZINC000675771661 1018584368 /nfs/dbraw/zinc/58/43/68/1018584368.db2.gz ZHXREVJFDOVPHY-NSHDSACASA-N 2 0 323.893 3.770 20 0 DHADRP C[C@H]([NH2+]CCc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC000675783339 1018590506 /nfs/dbraw/zinc/59/05/06/1018590506.db2.gz GLHRZVNKRHLCLD-AWEZNQCLSA-N 2 0 302.487 3.764 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1C ZINC000675820452 1018601159 /nfs/dbraw/zinc/60/11/59/1018601159.db2.gz GYQJBDFWKBJKNS-INIZCTEOSA-N 2 0 313.489 3.913 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000675818746 1018601297 /nfs/dbraw/zinc/60/12/97/1018601297.db2.gz KRCJIMACSQLZLH-CVEARBPZSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000675928482 1018634211 /nfs/dbraw/zinc/63/42/11/1018634211.db2.gz OQRZVYXWZWISRO-LVCYWYKZSA-N 2 0 323.484 3.828 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650742640 1018636968 /nfs/dbraw/zinc/63/69/68/1018636968.db2.gz ATUYXHHDPATYLT-INIZCTEOSA-N 2 0 304.478 3.891 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(C)o1 ZINC000278383187 1018638645 /nfs/dbraw/zinc/63/86/45/1018638645.db2.gz DFGRSOGUPGFMJD-OAHLLOKOSA-N 2 0 316.445 3.688 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)c2cccc(Br)c21 ZINC000650744996 1018642050 /nfs/dbraw/zinc/64/20/50/1018642050.db2.gz ZMRNCTRASCGUTD-FZMZJTMJSA-N 2 0 323.278 3.716 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000650756518 1018683436 /nfs/dbraw/zinc/68/34/36/1018683436.db2.gz CTBVXXLRVWNAMY-AWEZNQCLSA-N 2 0 314.477 3.517 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000650758519 1018691479 /nfs/dbraw/zinc/69/14/79/1018691479.db2.gz RIRCMDQBLVMTIK-KRWDZBQOSA-N 2 0 316.445 3.872 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763804 1018709106 /nfs/dbraw/zinc/70/91/06/1018709106.db2.gz JYBSAYNGDSNVNK-MRXNPFEDSA-N 2 0 304.478 3.762 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCCO2 ZINC000650764054 1018713431 /nfs/dbraw/zinc/71/34/31/1018713431.db2.gz PKEHULLGFVBZRE-MRXNPFEDSA-N 2 0 308.853 3.533 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764294 1018714963 /nfs/dbraw/zinc/71/49/63/1018714963.db2.gz VGNRLQCPKDDSIJ-CYBMUJFWSA-N 2 0 314.395 3.616 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000642626904 1018733675 /nfs/dbraw/zinc/73/36/75/1018733675.db2.gz HGCQHCSINNCHTP-GOSISDBHSA-N 2 0 316.489 3.853 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278486590 1018736687 /nfs/dbraw/zinc/73/66/87/1018736687.db2.gz PEKUGJGFNXJPRP-HNNXBMFYSA-N 2 0 304.453 3.611 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278490168 1018740112 /nfs/dbraw/zinc/74/01/12/1018740112.db2.gz PNNBWYIAQPWWQP-IBGZPJMESA-N 2 0 314.473 3.673 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171559719 1032782014 /nfs/dbraw/zinc/78/20/14/1032782014.db2.gz KZVMNWUXZTWPHC-HXUWFJFHSA-N 2 0 314.517 3.954 20 0 DHADRP CCCCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000315447516 1032782187 /nfs/dbraw/zinc/78/21/87/1032782187.db2.gz VZCJRQNMXJQVIW-QGZVFWFLSA-N 2 0 304.478 3.687 20 0 DHADRP COc1ccc2c(c1)[nH+]ccc2N(C)C1CC[NH+](C(C)C)CC1 ZINC000765461331 1018796549 /nfs/dbraw/zinc/79/65/49/1018796549.db2.gz MGWQVGHSRKHJFE-UHFFFAOYSA-N 2 0 313.445 3.552 20 0 DHADRP CC(C)(C)c1cnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657813648 1018800261 /nfs/dbraw/zinc/80/02/61/1018800261.db2.gz WDXBDBOEADKTAW-UHFFFAOYSA-N 2 0 321.534 3.652 20 0 DHADRP c1c2ccncc2sc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657816075 1018828786 /nfs/dbraw/zinc/82/87/86/1018828786.db2.gz UZFYBKAOGUUYKC-UHFFFAOYSA-N 2 0 315.486 3.508 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2(Cc3ccc(O)cc3)CC2)CC1(C)C ZINC001171630343 1032793624 /nfs/dbraw/zinc/79/36/24/1032793624.db2.gz NCOUXQIXNOJTBN-UHFFFAOYSA-N 2 0 316.489 3.708 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000080645523 1018931032 /nfs/dbraw/zinc/93/10/32/1018931032.db2.gz KEUJXDHNHFXMRU-MRXNPFEDSA-N 2 0 322.468 3.710 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000129009278 1018937539 /nfs/dbraw/zinc/93/75/39/1018937539.db2.gz MOFLPOMPHLWXIL-HUUCEWRRSA-N 2 0 311.267 3.632 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000921536400 1018949852 /nfs/dbraw/zinc/94/98/52/1018949852.db2.gz PSDXPZICSVVRCJ-AWEZNQCLSA-N 2 0 309.885 3.645 20 0 DHADRP C(C[C@H]1CCC2(CCC2)O1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922968198 1018953748 /nfs/dbraw/zinc/95/37/48/1018953748.db2.gz RBGIGNGHTXHNDR-LJQANCHMSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000921543726 1018973510 /nfs/dbraw/zinc/97/35/10/1018973510.db2.gz RAOBCNOFVXEXQL-PXTPFGJHSA-N 2 0 322.537 3.539 20 0 DHADRP CCC(CC)[C@H](C[NH2+]C1CC(CF)(CF)C1)[NH+]1CCCC1 ZINC000657833709 1019000111 /nfs/dbraw/zinc/00/01/11/1019000111.db2.gz OHTAMPKNSAZQMT-INIZCTEOSA-N 2 0 302.453 3.564 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc3cccnc32)CC1(C)C ZINC001171629651 1032796944 /nfs/dbraw/zinc/79/69/44/1032796944.db2.gz AXQPFXKXCSQWQT-UHFFFAOYSA-N 2 0 311.473 3.976 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCNC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619550 1032803168 /nfs/dbraw/zinc/80/31/68/1032803168.db2.gz ORBZGYBOVAEXTQ-IRXDYDNUSA-N 2 0 323.569 3.595 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168692685 1019061410 /nfs/dbraw/zinc/06/14/10/1019061410.db2.gz RWDCJPAUCYOVHC-HOCLYGCPSA-N 2 0 306.881 3.661 20 0 DHADRP c1ccc(OCCCCC[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278703951 1019064222 /nfs/dbraw/zinc/06/42/22/1019064222.db2.gz OAWSMKNZZYRROO-UHFFFAOYSA-N 2 0 316.489 3.700 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1(C)C ZINC001171622922 1032805520 /nfs/dbraw/zinc/80/55/20/1032805520.db2.gz CVAMDGQCSWYJKF-QRWLVFNGSA-N 3 0 323.569 3.771 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(Br)cs1 ZINC000387301406 1019077153 /nfs/dbraw/zinc/07/71/53/1019077153.db2.gz JWOPKLZILHCAQE-UHFFFAOYSA-N 2 0 319.312 3.721 20 0 DHADRP C[C@@H](CCc1ccsc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357702 1019094432 /nfs/dbraw/zinc/09/44/32/1019094432.db2.gz VPNHSUSIRRSSIF-HNNXBMFYSA-N 2 0 306.519 3.781 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H](c2cccnc2)C2CC2)CC1(C)C ZINC001171626049 1032808322 /nfs/dbraw/zinc/80/83/22/1032808322.db2.gz ULSDTAUAJDHJPK-KRWDZBQOSA-N 2 0 301.478 3.774 20 0 DHADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(OC(F)F)cc1 ZINC000923296769 1019117952 /nfs/dbraw/zinc/11/79/52/1019117952.db2.gz CBTVAKFTDQDHQH-MQVJKMGUSA-N 2 0 324.415 3.641 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1nccc2ccccc21 ZINC000635003978 1019120158 /nfs/dbraw/zinc/12/01/58/1019120158.db2.gz CEYSLVFRKWGQNS-QFBILLFUSA-N 2 0 319.452 3.846 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000635003871 1019120338 /nfs/dbraw/zinc/12/03/38/1019120338.db2.gz BPERHHQPCCLLOG-PBHICJAKSA-N 2 0 310.432 3.750 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000765954958 1019120649 /nfs/dbraw/zinc/12/06/49/1019120649.db2.gz WUPXOHPNRSJKGD-QGZVFWFLSA-N 2 0 316.489 3.928 20 0 DHADRP CCOC1CCC([NH2+]Cc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000657842648 1019123253 /nfs/dbraw/zinc/12/32/53/1019123253.db2.gz VKKLIXQLBFCKNW-UHFFFAOYSA-N 2 0 318.505 3.966 20 0 DHADRP CC(C)[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171627349 1032809078 /nfs/dbraw/zinc/80/90/78/1032809078.db2.gz QJAYESLGAZJCKE-WKILWMFISA-N 3 0 309.542 3.618 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CCCCCC3)C2)cc1 ZINC000076443460 1019138624 /nfs/dbraw/zinc/13/86/24/1019138624.db2.gz QCJAPSDDDGVNLL-LJQANCHMSA-N 2 0 300.490 3.863 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923375812 1019156322 /nfs/dbraw/zinc/15/63/22/1019156322.db2.gz FXTWVMXMJKQFGH-XYTVBORESA-N 2 0 302.462 3.657 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC(C)(C)c2ccc(F)cn2)CC1(C)C ZINC001171627346 1032811175 /nfs/dbraw/zinc/81/11/75/1032811175.db2.gz QHTOVYXNSAQWNN-UHFFFAOYSA-N 2 0 321.484 3.739 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171627119 1032811635 /nfs/dbraw/zinc/81/16/35/1032811635.db2.gz KTDQHWNKNAORTJ-UHFFFAOYSA-N 2 0 317.521 3.909 20 0 DHADRP CCc1onc(C)c1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923419838 1019195230 /nfs/dbraw/zinc/19/52/30/1019195230.db2.gz DRBZORZMZOBNBU-QAPCUYQASA-N 2 0 319.493 3.665 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCCSCC2)cc1F ZINC000657852034 1019231928 /nfs/dbraw/zinc/23/19/28/1019231928.db2.gz SHTATQJCPXNQTR-HNNXBMFYSA-N 2 0 319.449 3.695 20 0 DHADRP Cc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708538845 1019253400 /nfs/dbraw/zinc/25/34/00/1019253400.db2.gz IGEOKYILPHQRAA-GHTZIAJQSA-N 2 0 308.469 3.853 20 0 DHADRP CCc1nc(C)c(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000626064011 1019279783 /nfs/dbraw/zinc/27/97/83/1019279783.db2.gz YWVNHBKPLOOJJZ-UHFFFAOYSA-N 2 0 315.461 3.629 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC000347679335 1019288701 /nfs/dbraw/zinc/28/87/01/1019288701.db2.gz NLOMGNBZXQYJCY-HZPDHXFCSA-N 2 0 320.477 3.537 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657858084 1019322391 /nfs/dbraw/zinc/32/23/91/1019322391.db2.gz XBGUBWSGHIGDAZ-UHFFFAOYSA-N 2 0 310.432 3.704 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166470388 1019361393 /nfs/dbraw/zinc/36/13/93/1019361393.db2.gz BGHWVVBJYFRMMS-DLBZAZTESA-N 2 0 304.865 3.588 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000090046505 1019375540 /nfs/dbraw/zinc/37/55/40/1019375540.db2.gz CDBVJCKEMPTYPE-ZBFHGGJFSA-N 2 0 321.534 3.663 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001171667595 1032824151 /nfs/dbraw/zinc/82/41/51/1032824151.db2.gz XHWLMSKBHXBLED-QGZVFWFLSA-N 2 0 300.490 3.780 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCCCCO)CC1 ZINC000158833654 1019392275 /nfs/dbraw/zinc/39/22/75/1019392275.db2.gz AICGQINFGOQWLE-GOSISDBHSA-N 2 0 310.526 3.516 20 0 DHADRP C[NH+](C)CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091262499 1019453681 /nfs/dbraw/zinc/45/36/81/1019453681.db2.gz OWSJASQEZVMWSJ-HNNXBMFYSA-N 2 0 300.368 3.698 20 0 DHADRP Cc1cc(C)cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000065932213 1019461321 /nfs/dbraw/zinc/46/13/21/1019461321.db2.gz ADDFGCFHOMFTRC-UHFFFAOYSA-N 2 0 312.457 3.534 20 0 DHADRP COc1ccc2c(c1)C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171639494 1032834670 /nfs/dbraw/zinc/83/46/70/1032834670.db2.gz MOVMYPVGNRIYNN-UHFFFAOYSA-N 2 0 302.462 3.662 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000093770391 1019579420 /nfs/dbraw/zinc/57/94/20/1019579420.db2.gz VIGFZZCTAHKETK-SFHVURJKSA-N 2 0 309.457 3.522 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000093688547 1019580251 /nfs/dbraw/zinc/58/02/51/1019580251.db2.gz NXDQQJYXPLPZFI-VQTJNVASSA-N 2 0 300.490 3.844 20 0 DHADRP CCc1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000093769276 1019582022 /nfs/dbraw/zinc/58/20/22/1019582022.db2.gz WJJXZIZHFVUPBW-UHFFFAOYSA-N 2 0 321.534 3.794 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704009 1019603134 /nfs/dbraw/zinc/60/31/34/1019603134.db2.gz COPLWBWMZBUCNV-QGZVFWFLSA-N 2 0 320.908 3.909 20 0 DHADRP COc1cc(C)c([C@@H](C)[N@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC000682072380 1019613917 /nfs/dbraw/zinc/61/39/17/1019613917.db2.gz JKZWGVPYRYXAQW-MRXNPFEDSA-N 2 0 304.478 3.647 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000164164713 1019633846 /nfs/dbraw/zinc/63/38/46/1019633846.db2.gz FXUGHBGRDWFOMP-AWEZNQCLSA-N 2 0 308.897 3.938 20 0 DHADRP Cc1ccc2cc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)[nH]c2c1 ZINC000657300350 1019704864 /nfs/dbraw/zinc/70/48/64/1019704864.db2.gz MQKNOGLDECBODE-UHFFFAOYSA-N 2 0 307.441 3.828 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000727466900 1019718108 /nfs/dbraw/zinc/71/81/08/1019718108.db2.gz IMZWNECRKSTCFO-UHFFFAOYSA-N 2 0 311.473 3.837 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000527518307 1019756434 /nfs/dbraw/zinc/75/64/34/1019756434.db2.gz GMJMAEOLFYBABT-LMRVLLHPSA-N 2 0 306.416 3.675 20 0 DHADRP Clc1ccc(SCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166010532 1019764460 /nfs/dbraw/zinc/76/44/60/1019764460.db2.gz BMIJBEJWIVBQBU-HUUCEWRRSA-N 2 0 310.894 3.649 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000166053828 1019770572 /nfs/dbraw/zinc/77/05/72/1019770572.db2.gz ZCWPILKQCPIREI-MRXNPFEDSA-N 2 0 304.478 3.653 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2ccc3c(c2)CCO3)CC1 ZINC000765770118 1019843210 /nfs/dbraw/zinc/84/32/10/1019843210.db2.gz WKULTTCGGBFOSQ-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP CS[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000922212230 1019885153 /nfs/dbraw/zinc/88/51/53/1019885153.db2.gz PMDPZKHJEDVQSN-XWSJACJDSA-N 2 0 318.530 3.596 20 0 DHADRP CCOC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000657899076 1019900898 /nfs/dbraw/zinc/90/08/98/1019900898.db2.gz UYURJZYOXXVSKR-UHFFFAOYSA-N 2 0 308.510 3.721 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000657902616 1019902516 /nfs/dbraw/zinc/90/25/16/1019902516.db2.gz FHQQQDVAPAZKCC-RDTXWAMCSA-N 2 0 321.428 3.563 20 0 DHADRP CC1(C)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000657908955 1019935693 /nfs/dbraw/zinc/93/56/93/1019935693.db2.gz JOHBLCXDYWWVJI-CEXWTWQISA-N 2 0 313.489 3.712 20 0 DHADRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])Nc2ccccc2)c1 ZINC000066243566 1019940907 /nfs/dbraw/zinc/94/09/07/1019940907.db2.gz GMEYWHQBZZHNTP-UHFFFAOYSA-N 2 0 310.445 3.665 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)[C@@H]2CCC[C@H]21 ZINC000671756159 1019966792 /nfs/dbraw/zinc/96/67/92/1019966792.db2.gz WNUSMEAKPNSDDO-GBESFXJTSA-N 2 0 316.489 3.826 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000657665353 1019993039 /nfs/dbraw/zinc/99/30/39/1019993039.db2.gz OBXOIEJSBYHJPQ-QGZVFWFLSA-N 2 0 310.432 3.780 20 0 DHADRP Fc1cccc2c1C[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001171768152 1032867469 /nfs/dbraw/zinc/86/74/69/1032867469.db2.gz FCCKRLKMJRZNDO-LJQANCHMSA-N 2 0 324.443 3.679 20 0 DHADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657811462 1020033415 /nfs/dbraw/zinc/03/34/15/1020033415.db2.gz CLWQBZXZGBRBNX-KBXCAEBGSA-N 2 0 302.462 3.615 20 0 DHADRP CCC[C@H](C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000858381427 1032869855 /nfs/dbraw/zinc/86/98/55/1032869855.db2.gz PZFASINPWJUAGS-QGZVKYPTSA-N 2 0 324.553 3.949 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657970390 1020052016 /nfs/dbraw/zinc/05/20/16/1020052016.db2.gz CNGRSPKTLVMEBW-CYBMUJFWSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc2ccncc2s1 ZINC000657993903 1020075433 /nfs/dbraw/zinc/07/54/33/1020075433.db2.gz NEUFZAGQVGISAJ-ZDUSSCGKSA-N 2 0 315.486 3.821 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+]CC2(C)CCCC2)cc1 ZINC000731218086 1020083921 /nfs/dbraw/zinc/08/39/21/1020083921.db2.gz UIFHUSGTENOVTG-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP C[C@@H]1C[C@@H](n2ccc3cccc(C[NH3+])c32)C[N@@H+]1Cc1ccccc1 ZINC001171735284 1032873898 /nfs/dbraw/zinc/87/38/98/1032873898.db2.gz UWJZTPDALJNESL-OXQOHEQNSA-N 2 0 319.452 3.936 20 0 DHADRP CC(C)=CCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068254 1020128464 /nfs/dbraw/zinc/12/84/64/1020128464.db2.gz BWZYABAKWNZTTO-QGZVFWFLSA-N 2 0 308.510 3.602 20 0 DHADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070772 1020129037 /nfs/dbraw/zinc/12/90/37/1020129037.db2.gz QACFEKIWKAKDGR-POAQFYNOSA-N 2 0 322.537 3.682 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000658095588 1020141805 /nfs/dbraw/zinc/14/18/05/1020141805.db2.gz JFZWNEPJHDHYMH-FGTMMUONSA-N 2 0 315.505 3.879 20 0 DHADRP COCCC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096495 1020142056 /nfs/dbraw/zinc/14/20/56/1020142056.db2.gz QLCPDSYPCVLIRD-QZTJIDSGSA-N 2 0 322.468 3.756 20 0 DHADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658250799 1020259006 /nfs/dbraw/zinc/25/90/06/1020259006.db2.gz DBQZAYUPBDDFSY-MSOLQXFVSA-N 2 0 320.521 3.577 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168735206 1020281807 /nfs/dbraw/zinc/28/18/07/1020281807.db2.gz QEIUDTXRIIOVCG-KRWDZBQOSA-N 2 0 320.908 3.859 20 0 DHADRP c1ccc(C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC000658358001 1020322853 /nfs/dbraw/zinc/32/28/53/1020322853.db2.gz XDQLDHXGVHNLSR-OAQYLSRUSA-N 2 0 312.501 3.719 20 0 DHADRP C[N@@H+]1CCCC[C@@H](CNCc2csc(-c3ccccc3)n2)C1 ZINC000623655711 1020341010 /nfs/dbraw/zinc/34/10/10/1020341010.db2.gz CFPREOJBLKCVAO-HNNXBMFYSA-N 2 0 315.486 3.632 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843113488 1020360244 /nfs/dbraw/zinc/36/02/44/1020360244.db2.gz VEROMVFYGSGMDS-LBPRGKRZSA-N 2 0 300.418 3.562 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171808033 1032896790 /nfs/dbraw/zinc/89/67/90/1032896790.db2.gz XIWMFQAFUWDOPH-BZSNNMDCSA-N 2 0 316.464 3.632 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CNCc1nc(C)c(C)s1 ZINC000892466255 1020386819 /nfs/dbraw/zinc/38/68/19/1020386819.db2.gz MTQIQZZDYLORBI-UHFFFAOYSA-N 2 0 317.502 3.892 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000655805214 1020399940 /nfs/dbraw/zinc/39/99/40/1020399940.db2.gz KWFJSTDDLBQCRL-SIXWZSSISA-N 2 0 304.453 3.987 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)c1nccs1 ZINC000340352948 1020404781 /nfs/dbraw/zinc/40/47/81/1020404781.db2.gz COEJZADTWXVTSQ-DJIMGWMZSA-N 2 0 315.486 3.672 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000655847906 1020421557 /nfs/dbraw/zinc/42/15/57/1020421557.db2.gz FRMJLDHBKRRSAJ-GVDBMIGSSA-N 2 0 302.487 3.830 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000655847905 1020421887 /nfs/dbraw/zinc/42/18/87/1020421887.db2.gz FRMJLDHBKRRSAJ-BBWFWOEESA-N 2 0 302.487 3.830 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCCC2 ZINC000378874750 1020521241 /nfs/dbraw/zinc/52/12/41/1020521241.db2.gz XJCRWUFWAHBLEU-IRXDYDNUSA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCCC2 ZINC000378874751 1020521857 /nfs/dbraw/zinc/52/18/57/1020521857.db2.gz XJCRWUFWAHBLEU-SJORKVTESA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCCCC2 ZINC000378878429 1020523866 /nfs/dbraw/zinc/52/38/66/1020523866.db2.gz CSGVNANLXQYQKK-ZWKOTPCHSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1csc(C(F)(F)F)c1 ZINC000926667022 1020549396 /nfs/dbraw/zinc/54/93/96/1020549396.db2.gz XNTMECVSQRAHDG-JBLDHEPKSA-N 2 0 306.397 3.758 20 0 DHADRP Clc1oc2ccccc2c1CN(C1CC1)C1CC[NH2+]CC1 ZINC000647482506 1020585744 /nfs/dbraw/zinc/58/57/44/1020585744.db2.gz KNANVCNGUYYBIS-UHFFFAOYSA-N 2 0 304.821 3.803 20 0 DHADRP Fc1ccc(CN(C2CC2)C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000647482475 1020589957 /nfs/dbraw/zinc/58/99/57/1020589957.db2.gz IJQWFDJYLKHHQX-UHFFFAOYSA-N 2 0 316.342 3.561 20 0 DHADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000766045674 1020596726 /nfs/dbraw/zinc/59/67/26/1020596726.db2.gz TUVJEONBLBQSSA-KBXCAEBGSA-N 2 0 304.478 3.639 20 0 DHADRP CC(C)(C)c1coc(CNCCCCC[NH+]2CCCCC2)n1 ZINC000921738029 1020599348 /nfs/dbraw/zinc/59/93/48/1020599348.db2.gz NWIUWXZJHYMKKQ-UHFFFAOYSA-N 2 0 307.482 3.718 20 0 DHADRP Fc1cccc([C@H]2CC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000674013401 1020633284 /nfs/dbraw/zinc/63/32/84/1020633284.db2.gz OEMVODWTSHIWQJ-LJQANCHMSA-N 2 0 307.372 3.958 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281135786 1020763209 /nfs/dbraw/zinc/76/32/09/1020763209.db2.gz NUASIDKNLPNGJR-RYQLBKOJSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310106078 1020766689 /nfs/dbraw/zinc/76/66/89/1020766689.db2.gz CWPXYUNZDXSMLZ-WMQCIHAUSA-N 2 0 320.480 3.827 20 0 DHADRP CC[C@H]1CN(Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498645 1020776783 /nfs/dbraw/zinc/77/67/83/1020776783.db2.gz LVKHVOKDGKGZSQ-LRDDRELGSA-N 2 0 319.449 3.508 20 0 DHADRP Cc1cncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171964895 1032933699 /nfs/dbraw/zinc/93/36/99/1032933699.db2.gz NINZSYBCYFHLAY-HXUWFJFHSA-N 2 0 323.484 3.923 20 0 DHADRP CC1(C)C[C@H](NCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171962915 1032934196 /nfs/dbraw/zinc/93/41/96/1032934196.db2.gz FMJJOIDZDIIPGD-LJQANCHMSA-N 2 0 309.457 3.614 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414083961 1020862751 /nfs/dbraw/zinc/86/27/51/1020862751.db2.gz WSCDMLGRBLBQBU-AWEZNQCLSA-N 2 0 303.475 3.803 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000178097381 1020933585 /nfs/dbraw/zinc/93/35/85/1020933585.db2.gz OEUGJODCEJMALD-IRXDYDNUSA-N 2 0 316.489 3.927 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000414169279 1020957974 /nfs/dbraw/zinc/95/79/74/1020957974.db2.gz BAMSPSQNDFWIEK-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414173384 1020962018 /nfs/dbraw/zinc/96/20/18/1020962018.db2.gz FOZWVVVJFQEYIK-BEFAXECRSA-N 2 0 316.489 3.739 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171128013 1020978915 /nfs/dbraw/zinc/97/89/15/1020978915.db2.gz VFVIOEPMFLVQPV-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccoc2C)cc1 ZINC000414315425 1021087004 /nfs/dbraw/zinc/08/70/04/1021087004.db2.gz RWXBZBICPABFLD-UHFFFAOYSA-N 2 0 316.445 3.598 20 0 DHADRP CCCC1(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CCC1 ZINC000537962163 1032955060 /nfs/dbraw/zinc/95/50/60/1032955060.db2.gz NCMCGLJDTGBGDL-MSOLQXFVSA-N 2 0 310.526 3.683 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543950 1021148988 /nfs/dbraw/zinc/14/89/88/1021148988.db2.gz UTFTWGAQSQRCSZ-OALUTQOASA-N 2 0 316.489 3.557 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543758 1021149018 /nfs/dbraw/zinc/14/90/18/1021149018.db2.gz RRALUOAQPQSLFU-IAGOWNOFSA-N 2 0 308.416 3.836 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543951 1021149574 /nfs/dbraw/zinc/14/95/74/1021149574.db2.gz UTFTWGAQSQRCSZ-RBUKOAKNSA-N 2 0 316.489 3.557 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553327 1021159743 /nfs/dbraw/zinc/15/97/43/1021159743.db2.gz SDNNNKIYTWVAOR-CYBMUJFWSA-N 2 0 322.374 3.885 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000537979341 1032958935 /nfs/dbraw/zinc/95/89/35/1032958935.db2.gz CDBVJCKEMPTYPE-GDBMZVCRSA-N 2 0 321.534 3.663 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423370884 1021191262 /nfs/dbraw/zinc/19/12/62/1021191262.db2.gz FYPPYDAUSDLXJB-WOSRLPQWSA-N 2 0 308.853 3.722 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000423399774 1021193955 /nfs/dbraw/zinc/19/39/55/1021193955.db2.gz VAEKLTYSSOLYPW-MSOLQXFVSA-N 2 0 316.395 3.914 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000423383058 1021194181 /nfs/dbraw/zinc/19/41/81/1021194181.db2.gz KIGMSSYKNRUVRL-ULQDDVLXSA-N 2 0 320.477 3.795 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392674 1021221149 /nfs/dbraw/zinc/22/11/49/1021221149.db2.gz KLQOTBIAYWKNEC-AOIWGVFYSA-N 2 0 300.490 3.718 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000090552610 1021232375 /nfs/dbraw/zinc/23/23/75/1021232375.db2.gz NWWOHUJTNQOUOR-MOPGFXCFSA-N 2 0 318.530 3.726 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCSCc3ccccc3)CC[C@@H]21 ZINC000090552609 1021232509 /nfs/dbraw/zinc/23/25/09/1021232509.db2.gz NWWOHUJTNQOUOR-OALUTQOASA-N 2 0 318.530 3.726 20 0 DHADRP CC1(C)C[C@@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171984024 1032967748 /nfs/dbraw/zinc/96/77/48/1032967748.db2.gz BHCSMFIVJFFFDF-CADBVGFASA-N 2 0 316.464 3.577 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000252130557 1021273156 /nfs/dbraw/zinc/27/31/56/1021273156.db2.gz KSBIEBDGDHVBCN-KSSFIOAISA-N 2 0 306.881 3.661 20 0 DHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000338911262 1021275998 /nfs/dbraw/zinc/27/59/98/1021275998.db2.gz GJNLDVNUJVPFRT-UHFFFAOYSA-N 2 0 303.494 3.541 20 0 DHADRP C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc(C(F)(F)F)c1 ZINC000924650024 1032969709 /nfs/dbraw/zinc/96/97/09/1032969709.db2.gz PMGPOLLTPAHPQR-WDEREUQCSA-N 2 0 318.408 3.902 20 0 DHADRP CC1(C)C[C@H](n2ccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC001171987672 1032970449 /nfs/dbraw/zinc/97/04/49/1032970449.db2.gz ZOTBZNKRXOJPQC-LJQANCHMSA-N 2 0 323.484 3.750 20 0 DHADRP c1cncc([C@H]2CCC[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2)c1 ZINC000337408531 1032973578 /nfs/dbraw/zinc/97/35/78/1032973578.db2.gz VOCFWYMGIOFIDX-QFBILLFUSA-N 2 0 313.489 3.714 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001172101120 1032980227 /nfs/dbraw/zinc/98/02/27/1032980227.db2.gz WOFLBAUYKRHOET-QDMKHBRRSA-N 2 0 312.379 3.810 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000181381545 1021475576 /nfs/dbraw/zinc/47/55/76/1021475576.db2.gz LDCYQAJGWSJMAR-DYESRHJHSA-N 2 0 308.469 3.968 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000236610854 1021476675 /nfs/dbraw/zinc/47/66/75/1021476675.db2.gz JLGRZRFBZSLSAD-QGZVFWFLSA-N 2 0 316.489 3.610 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850426746 1021526462 /nfs/dbraw/zinc/52/64/62/1021526462.db2.gz ZEMPIEXEMMUAAO-HNNXBMFYSA-N 2 0 314.473 3.537 20 0 DHADRP CCCC[N@H+](C)CC1CCN(C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000556124083 1021537400 /nfs/dbraw/zinc/53/74/00/1021537400.db2.gz YGASKOBUIJHLKW-HXUWFJFHSA-N 2 0 323.569 3.693 20 0 DHADRP CCSCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063335 1032987691 /nfs/dbraw/zinc/98/76/91/1032987691.db2.gz YFYCNDSZXCREEB-LDLYASANSA-N 2 0 318.530 3.915 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850466669 1021552647 /nfs/dbraw/zinc/55/26/47/1021552647.db2.gz URZOJJCLHCOBFO-OAHLLOKOSA-N 2 0 314.473 3.537 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])C13CC4CC(CC(C4)C1)C3)C2 ZINC001172100242 1032988148 /nfs/dbraw/zinc/98/81/48/1032988148.db2.gz BZDPTDRNBWMYLC-CWSAAJGASA-N 2 0 315.505 3.785 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850470430 1021554422 /nfs/dbraw/zinc/55/44/22/1021554422.db2.gz BCSLVGUMBGKFNV-KRWDZBQOSA-N 2 0 316.489 3.928 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc2c(c1)CCCO2 ZINC000850473674 1021554735 /nfs/dbraw/zinc/55/47/35/1021554735.db2.gz GEHLSLWAGVUTOJ-AWEZNQCLSA-N 2 0 307.397 3.510 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2C=CCC2)ccc1OC ZINC000850510942 1021569201 /nfs/dbraw/zinc/56/92/01/1021569201.db2.gz YBZFSUBJPUDDNG-YJBOKZPZSA-N 2 0 302.462 3.906 20 0 DHADRP CSCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062982 1032989889 /nfs/dbraw/zinc/98/98/89/1032989889.db2.gz UZXGJXPBASXRRK-LDLYASANSA-N 2 0 318.530 3.915 20 0 DHADRP c1nc([C@@H]2CCC[N@@H+](CCC3CCCC3)C2)n2c1CCCC2 ZINC000337428873 1032990253 /nfs/dbraw/zinc/99/02/53/1032990253.db2.gz DDWXCKMGLONPKZ-QGZVFWFLSA-N 2 0 301.478 3.979 20 0 DHADRP Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098459 1032990287 /nfs/dbraw/zinc/99/02/87/1032990287.db2.gz FFFPKDHMUBGTFL-BCDXTJNWSA-N 2 0 311.473 3.639 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000850542165 1021596424 /nfs/dbraw/zinc/59/64/24/1021596424.db2.gz IQZCJBMISNDXFV-XLIONFOSSA-N 2 0 315.505 3.503 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(s1)CCCC2 ZINC000130047098 1021604880 /nfs/dbraw/zinc/60/48/80/1021604880.db2.gz YSYPRUKSPFHPTO-ZIAGYGMSSA-N 2 0 304.503 3.762 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(s1)CCCC2 ZINC000130046641 1021605084 /nfs/dbraw/zinc/60/50/84/1021605084.db2.gz YSYPRUKSPFHPTO-KGLIPLIRSA-N 2 0 304.503 3.762 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000415013302 1021611422 /nfs/dbraw/zinc/61/14/22/1021611422.db2.gz KKSFZJBZAMLEFJ-JTQLQIEISA-N 2 0 319.674 3.710 20 0 DHADRP Cn1cccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069803 1032994856 /nfs/dbraw/zinc/99/48/56/1032994856.db2.gz XMRUJXNRSIZJQX-ACDBMABISA-N 2 0 323.484 3.700 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014392 1021613983 /nfs/dbraw/zinc/61/39/83/1021613983.db2.gz XAAYUCLSRHRBDF-PBWTXFEYSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)ccc1Br ZINC000415014227 1021614196 /nfs/dbraw/zinc/61/41/96/1021614196.db2.gz LSDOGXITFNOSIK-SNVBAGLBSA-N 2 0 319.674 3.710 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415014538 1021614497 /nfs/dbraw/zinc/61/44/97/1021614497.db2.gz ZYENVDYCFFSDMT-JXFKEZNVSA-N 2 0 324.468 3.969 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)CC[N@@H+]1C ZINC000556221357 1021617889 /nfs/dbraw/zinc/61/78/89/1021617889.db2.gz NFYXCDYOBDIMNO-BMFZPTHFSA-N 2 0 314.395 3.795 20 0 DHADRP FC(F)(F)C1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000850585681 1021624968 /nfs/dbraw/zinc/62/49/68/1021624968.db2.gz YDLSFLDRLJAMAE-UHFFFAOYSA-N 2 0 318.427 3.819 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000093742300 1021665587 /nfs/dbraw/zinc/66/55/87/1021665587.db2.gz XRWSVALKVLAKGC-LJQANCHMSA-N 2 0 323.484 3.912 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3cccnc3)cc1)C2 ZINC001172104254 1033005321 /nfs/dbraw/zinc/00/53/21/1033005321.db2.gz AWGUYMMGUXEUTC-WKCHPHFGSA-N 2 0 321.468 3.854 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cc(F)cc3F)C2 ZINC001172104930 1033005483 /nfs/dbraw/zinc/00/54/83/1033005483.db2.gz FAZGUUWBUHKIRK-KYZVSKTDSA-N 2 0 306.400 3.557 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CC[NH3+])c1cccc3ccccc31)C2 ZINC001172101584 1033006694 /nfs/dbraw/zinc/00/66/94/1033006694.db2.gz ZOZLOYOPCHIAQA-REPLKXPHSA-N 2 0 323.484 3.620 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c(C[NH3+])cc3cc(Cl)ccc31)C2 ZINC001172102181 1033006922 /nfs/dbraw/zinc/00/69/22/1033006922.db2.gz KNNIREJEZJMUMI-ZSHCYNCHSA-N 2 0 317.864 3.941 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000556585356 1021783087 /nfs/dbraw/zinc/78/30/87/1021783087.db2.gz KOHLOLMWKZJPFD-MRXNPFEDSA-N 2 0 302.462 3.778 20 0 DHADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)c1ccccc1 ZINC000893044681 1021831068 /nfs/dbraw/zinc/83/10/68/1021831068.db2.gz KIHMRRWLBMNDQX-IPQPSQTFSA-N 2 0 300.490 3.958 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccc(Cl)cc1 ZINC000556871328 1021911632 /nfs/dbraw/zinc/91/16/32/1021911632.db2.gz LJAVRUBRBAPBBK-BNEJOLLZSA-N 2 0 322.880 3.570 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000556890572 1021931997 /nfs/dbraw/zinc/93/19/97/1021931997.db2.gz NFLHVUNWGSDHAD-MNEFBYGVSA-N 2 0 322.443 3.750 20 0 DHADRP FC(F)(F)c1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000262452723 1021941972 /nfs/dbraw/zinc/94/19/72/1021941972.db2.gz HXPADZJYFYWWAH-AWEZNQCLSA-N 2 0 312.379 3.669 20 0 DHADRP CC[NH+](CC)C[C@H]1CCN(Cc2cccc3c2OC(C)(C)C3)C1 ZINC000556925819 1021947395 /nfs/dbraw/zinc/94/73/95/1021947395.db2.gz FRRHGCKUZNXZID-MRXNPFEDSA-N 2 0 316.489 3.564 20 0 DHADRP CCOc1ccccc1[C@H](C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108988 1033012990 /nfs/dbraw/zinc/01/29/90/1033012990.db2.gz GJHVPXDBBWQMNY-NXOAAHMSSA-N 2 0 302.462 3.751 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc1ccccc1F)C2 ZINC001172111347 1033020919 /nfs/dbraw/zinc/02/09/19/1033020919.db2.gz QVRFKIXOTIUKJD-NNZMDNLPSA-N 2 0 318.480 3.999 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000132590469 1021997093 /nfs/dbraw/zinc/99/70/93/1021997093.db2.gz MBDQFVYAEWPXBE-RYUDHWBXSA-N 2 0 301.261 3.608 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCc4ccccc43)CC1)C2 ZINC001172120028 1033024903 /nfs/dbraw/zinc/02/49/03/1033024903.db2.gz IZCCHCVFHLCEAJ-PMOLBWCYSA-N 2 0 324.512 3.982 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C1CC[NH+](C)CC1 ZINC000387211230 1022056567 /nfs/dbraw/zinc/05/65/67/1022056567.db2.gz KWMRHDOUMUNVAV-OLZOCXBDSA-N 2 0 312.404 3.669 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(CC)CC ZINC000766487495 1022124834 /nfs/dbraw/zinc/12/48/34/1022124834.db2.gz IAHSAVLMSCYDMQ-DLBZAZTESA-N 2 0 310.526 3.823 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CSc3ccccc3C2)C[C@@](C)(C[NH3+])C1 ZINC001172188048 1033031587 /nfs/dbraw/zinc/03/15/87/1033031587.db2.gz PSWFEIJGYHKMPM-TXPKVOOTSA-N 2 0 318.530 3.837 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(C)n1 ZINC000766511118 1022144598 /nfs/dbraw/zinc/14/45/98/1022144598.db2.gz AASAIADSHOXAIY-FAEJEUNOSA-N 2 0 316.493 3.541 20 0 DHADRP C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CCC[C@H]1C[NH3+] ZINC001205993663 1022150891 /nfs/dbraw/zinc/15/08/91/1022150891.db2.gz IFCJDMBZRWHFGF-RYUDHWBXSA-N 2 0 318.358 3.651 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1ccc(F)cc1)C2 ZINC001169118841 1022258100 /nfs/dbraw/zinc/25/81/00/1022258100.db2.gz ONZGUHOQXYZSDD-BCDXTJNWSA-N 2 0 304.453 3.609 20 0 DHADRP CCC(CC)(C[NH2+][C@H](C)[C@H]1CCOC1)N[C@@H](C)c1ccccc1 ZINC000153862372 1022258590 /nfs/dbraw/zinc/25/85/90/1022258590.db2.gz ONCDETLRWNCBTR-AOIWGVFYSA-N 2 0 318.505 3.911 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3ccc(F)cc3)CC1)C2 ZINC001169139714 1022266343 /nfs/dbraw/zinc/26/63/43/1022266343.db2.gz DYWPXALGRRHRSC-REPLKXPHSA-N 2 0 302.437 3.630 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109598 1022266426 /nfs/dbraw/zinc/26/64/26/1022266426.db2.gz FQXNKXNPGKBPSR-FCGDIQPGSA-N 2 0 302.437 3.882 20 0 DHADRP COc1cccc([C@@H]2CCCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169141370 1022272703 /nfs/dbraw/zinc/27/27/03/1022272703.db2.gz QGLWTKJCACJFTD-DMUMMCEESA-N 2 0 314.473 3.847 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c([C@H]3CCC[NH2+]3)cc3ccccc31)C2 ZINC001169140657 1022272963 /nfs/dbraw/zinc/27/29/63/1022272963.db2.gz LEPJTDOIQYDMSC-VSZNYVQBSA-N 2 0 309.457 3.864 20 0 DHADRP Cc1[nH]c2ccc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2[nH+]1 ZINC001169147161 1022278292 /nfs/dbraw/zinc/27/82/92/1022278292.db2.gz SQJDETSWRIQFEB-KBXCAEBGSA-N 2 0 300.450 3.827 20 0 DHADRP CC1(C)C[C@H](Nc2cccc3c2CC[C@H]3[NH3+])C[C@](C)(C[NH3+])C1 ZINC001169150027 1022279792 /nfs/dbraw/zinc/27/97/92/1022279792.db2.gz ABTNGVMZNUCXMA-CRFBAAHOSA-N 2 0 301.478 3.588 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccsc3)cc2)CC1 ZINC001169230302 1022311021 /nfs/dbraw/zinc/31/10/21/1022311021.db2.gz XDDUEYSSBPOGFN-UHFFFAOYSA-N 2 0 300.471 3.989 20 0 DHADRP CN1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)C[C@@H]1c1ccccc1 ZINC000414325020 1022361812 /nfs/dbraw/zinc/36/18/12/1022361812.db2.gz CAXNJUHONBFOBZ-VQTJNVASSA-N 2 0 323.484 3.784 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000155209219 1022380945 /nfs/dbraw/zinc/38/09/45/1022380945.db2.gz WCISFUUMLWUGKK-CVEARBPZSA-N 2 0 306.519 3.880 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000309746176 1022388359 /nfs/dbraw/zinc/38/83/59/1022388359.db2.gz UJKFELLHUFZLRX-APWZRJJASA-N 2 0 310.441 3.577 20 0 DHADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000925554464 1022412799 /nfs/dbraw/zinc/41/27/99/1022412799.db2.gz AOVKSYAACHOEGW-YDZRNGNQSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc(-n2ccnc2)cc1 ZINC000337534260 1033055063 /nfs/dbraw/zinc/05/50/63/1033055063.db2.gz FLSOXHNMSUSHFY-APHBMKBZSA-N 2 0 321.371 3.683 20 0 DHADRP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CS2 ZINC001172195975 1033055542 /nfs/dbraw/zinc/05/55/42/1033055542.db2.gz CPRGOXNXRWNSAC-KRWDZBQOSA-N 2 0 316.514 3.700 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C12CCC2 ZINC000538394085 1033050689 /nfs/dbraw/zinc/05/06/89/1033050689.db2.gz NAPWHDGPJJAJCJ-RBUKOAKNSA-N 2 0 322.537 3.682 20 0 DHADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000271909323 1022486657 /nfs/dbraw/zinc/48/66/57/1022486657.db2.gz XPNSKFLDILPVFA-INIZCTEOSA-N 2 0 323.278 3.752 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000156876145 1022501995 /nfs/dbraw/zinc/50/19/95/1022501995.db2.gz YAUGYUOAILXJGD-DOMZBBRYSA-N 2 0 315.288 3.998 20 0 DHADRP CC[NH+](CC)Cc1cc(NC(C)(C)CC[NH+](C)C)ccc1OC ZINC001169717938 1022517899 /nfs/dbraw/zinc/51/78/99/1022517899.db2.gz KRIATPQIBNGAJZ-UHFFFAOYSA-N 2 0 321.509 3.679 20 0 DHADRP CC[C@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@@H]2CC)COC1 ZINC000157315545 1022541588 /nfs/dbraw/zinc/54/15/88/1022541588.db2.gz JUHCCVLGSIOYJH-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000671110853 1022542729 /nfs/dbraw/zinc/54/27/29/1022542729.db2.gz BDIJJBDDTSWIRV-QGZVFWFLSA-N 2 0 318.505 3.966 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)CC1 ZINC001169781776 1022545091 /nfs/dbraw/zinc/54/50/91/1022545091.db2.gz VPCHULGUKJZWAW-SFHVURJKSA-N 2 0 320.521 3.534 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000157853920 1022581780 /nfs/dbraw/zinc/58/17/80/1022581780.db2.gz CPWYBXDFBRGMNR-HOTGVXAUSA-N 2 0 318.461 3.721 20 0 DHADRP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)CS2 ZINC001172200585 1033061434 /nfs/dbraw/zinc/06/14/34/1033061434.db2.gz LGJSMAKLTSSVQD-SFHVURJKSA-N 2 0 316.514 3.558 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000671122089 1022615274 /nfs/dbraw/zinc/61/52/74/1022615274.db2.gz XVBMGHGFEJMFTK-QGZVFWFLSA-N 2 0 318.505 3.822 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000158588682 1022644988 /nfs/dbraw/zinc/64/49/88/1022644988.db2.gz HHWYAMZVUOGJNC-HOCLYGCPSA-N 2 0 312.379 3.622 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000158998958 1022678811 /nfs/dbraw/zinc/67/88/11/1022678811.db2.gz JBZNJCYYHLBHGP-PBHICJAKSA-N 2 0 306.881 3.692 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000767346350 1022693873 /nfs/dbraw/zinc/69/38/73/1022693873.db2.gz JHWUFDQLNNLHOK-IRXDYDNUSA-N 2 0 322.880 3.668 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000180524431 1022751373 /nfs/dbraw/zinc/75/13/73/1022751373.db2.gz GOWIUZBMSALYRR-AWEZNQCLSA-N 2 0 310.869 3.518 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172332080 1033078495 /nfs/dbraw/zinc/07/84/95/1033078495.db2.gz CTFRDNNSTNEYDW-DLBZAZTESA-N 2 0 312.542 3.928 20 0 DHADRP COC1(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CCC1 ZINC000338997500 1022841089 /nfs/dbraw/zinc/84/10/89/1022841089.db2.gz NIQKNOJGVLSXIT-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621734505 1022841522 /nfs/dbraw/zinc/84/15/22/1022841522.db2.gz OOPSTOBHBSCYEL-YCPHGPKFSA-N 2 0 300.437 3.664 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000621775525 1022870943 /nfs/dbraw/zinc/87/09/43/1022870943.db2.gz QVHXCGGCWKATSL-SFTDATJTSA-N 2 0 323.484 3.562 20 0 DHADRP ClC1(Cl)C[C@H]1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000856805735 1022872065 /nfs/dbraw/zinc/87/20/65/1022872065.db2.gz ULOUOEWYXQJNKK-CYBMUJFWSA-N 2 0 319.320 3.957 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000417872354 1022875080 /nfs/dbraw/zinc/87/50/80/1022875080.db2.gz JCOGSDAZJVBMEQ-FPOVZHCZSA-N 2 0 324.468 3.520 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)CC[N@@H+]1C ZINC000159301556 1022896946 /nfs/dbraw/zinc/89/69/46/1022896946.db2.gz CZVVAQXJHOTVTF-CRAIPNDOSA-N 2 0 304.453 3.710 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414909051 1022904438 /nfs/dbraw/zinc/90/44/38/1022904438.db2.gz BVDPUJGPLOWXTF-PMACEKPBSA-N 2 0 308.469 3.700 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000414923256 1022913116 /nfs/dbraw/zinc/91/31/16/1022913116.db2.gz ICGQGVYOIAVVOO-HTQZYQBOSA-N 2 0 323.687 3.524 20 0 DHADRP CC1(C)C[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172280916 1033091734 /nfs/dbraw/zinc/09/17/34/1033091734.db2.gz OGZCQJJQWAXKDG-BZSNNMDCSA-N 2 0 308.510 3.706 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCCNc1cccc(F)c1)c1ccccc1 ZINC000925637849 1022921830 /nfs/dbraw/zinc/92/18/30/1022921830.db2.gz TVGNKZQUZZHHNP-LJQANCHMSA-N 2 0 315.436 3.698 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000925643499 1022928714 /nfs/dbraw/zinc/92/87/14/1022928714.db2.gz JLAPOHMPMLHYFT-RBSFLKMASA-N 2 0 314.395 3.828 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414929727 1022929118 /nfs/dbraw/zinc/92/91/18/1022929118.db2.gz RYYGQFMPXDRRAB-UHOFOFEASA-N 2 0 314.395 3.886 20 0 DHADRP CCOc1ccccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768252281 1022933209 /nfs/dbraw/zinc/93/32/09/1022933209.db2.gz INRQCINFSHPZJL-UHFFFAOYSA-N 2 0 312.457 3.779 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000925646952 1022943122 /nfs/dbraw/zinc/94/31/22/1022943122.db2.gz YLWOHNHBIOWROO-GOSISDBHSA-N 2 0 304.384 3.577 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000164646884 1022957490 /nfs/dbraw/zinc/95/74/90/1022957490.db2.gz WOQZGIOXKNCHAR-QGZVFWFLSA-N 2 0 306.498 3.771 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000925653895 1022971809 /nfs/dbraw/zinc/97/18/09/1022971809.db2.gz BWYVXMJCTQSZDZ-ZWKOTPCHSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000165340455 1022978152 /nfs/dbraw/zinc/97/81/52/1022978152.db2.gz BRSVLVDKFHOCEJ-ICSRJNTNSA-N 2 0 300.490 3.575 20 0 DHADRP Cc1cnccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000296038073 1023001259 /nfs/dbraw/zinc/00/12/59/1023001259.db2.gz NUHOKNNLFZPJIJ-HXUWFJFHSA-N 2 0 323.484 3.782 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1scnc1C1CC1)c1ccccc1 ZINC000415046595 1023007947 /nfs/dbraw/zinc/00/79/47/1023007947.db2.gz CVHFPYFBJVHBEY-HNNXBMFYSA-N 2 0 301.459 3.590 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(N2CCCCC2)cc[nH+]1 ZINC001167750644 1023023238 /nfs/dbraw/zinc/02/32/38/1023023238.db2.gz AYEGROSMLVQKFO-QGZVFWFLSA-N 2 0 316.493 3.748 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(OCC2CC2)cc[nH+]1 ZINC001167751810 1023029603 /nfs/dbraw/zinc/02/96/03/1023029603.db2.gz NUYYMFBZBXCZMI-OAHLLOKOSA-N 2 0 303.450 3.547 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194212378 1023158455 /nfs/dbraw/zinc/15/84/55/1023158455.db2.gz MFZBUUCRCIUZPL-XLIONFOSSA-N 2 0 314.473 3.701 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172332676 1033117642 /nfs/dbraw/zinc/11/76/42/1033117642.db2.gz VFTOFJAUZXJRBD-QZTJIDSGSA-N 2 0 322.537 3.921 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC=CC3)C2)s1 ZINC000660497466 1023282901 /nfs/dbraw/zinc/28/29/01/1023282901.db2.gz NOYMMLKKZXKFBW-QGZVFWFLSA-N 2 0 304.503 3.776 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001172341589 1033126374 /nfs/dbraw/zinc/12/63/74/1033126374.db2.gz HGBXCMAAPDZIQN-SQNIBIBYSA-N 2 0 306.494 3.677 20 0 DHADRP CCC(C)(C)[C@@H](C)[NH2+]CC1(C[NH2+][C@@H](C)C(C)(C)CC)COC1 ZINC000661231942 1023532815 /nfs/dbraw/zinc/53/28/15/1023532815.db2.gz SJRJBNHWZPWLAH-IYBDPMFKSA-N 2 0 312.542 3.832 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC(C)(C)O3)CCN1C ZINC000538718101 1033142319 /nfs/dbraw/zinc/14/23/19/1033142319.db2.gz USJFQUHEBAPNCE-QAPCUYQASA-N 2 0 316.489 3.705 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2OC(C)(C)C3)[C@@H](C)C1 ZINC000538717382 1033143415 /nfs/dbraw/zinc/14/34/15/1033143415.db2.gz XNCSCBROGDHXDS-MAUKXSAKSA-N 2 0 316.489 3.562 20 0 DHADRP Fc1ccccc1C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000651864507 1023599843 /nfs/dbraw/zinc/59/98/43/1023599843.db2.gz WEJUWPSCUXUXNO-UHFFFAOYSA-N 2 0 316.464 3.711 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C ZINC001172368891 1033148730 /nfs/dbraw/zinc/14/87/30/1033148730.db2.gz KJSLEFJQQKNPEZ-AOIWGVFYSA-N 2 0 315.505 3.708 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000651910581 1023632965 /nfs/dbraw/zinc/63/29/65/1023632965.db2.gz ZQIKGWRLPVDVHR-LJQANCHMSA-N 2 0 322.537 3.970 20 0 DHADRP COc1cccc([C@@]2(C)CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000661707880 1023698029 /nfs/dbraw/zinc/69/80/29/1023698029.db2.gz AHAIKEMSDJBZFK-QUCCMNQESA-N 2 0 316.489 3.533 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001170061526 1023714150 /nfs/dbraw/zinc/71/41/50/1023714150.db2.gz SYXMDWVBPLZTKE-SFHVURJKSA-N 2 0 317.521 3.743 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001170061386 1023714317 /nfs/dbraw/zinc/71/43/17/1023714317.db2.gz OFGSBUBZMVHXHO-SFHVURJKSA-N 2 0 317.521 3.743 20 0 DHADRP C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000652266588 1023724411 /nfs/dbraw/zinc/72/44/11/1023724411.db2.gz GVWAYPUTMXFMLA-GUYCJALGSA-N 2 0 320.452 3.748 20 0 DHADRP CCOCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC001172417942 1033161813 /nfs/dbraw/zinc/16/18/13/1033161813.db2.gz XRCNMJCKAFBFBC-QGZVFWFLSA-N 2 0 310.526 3.683 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000164610535 1023809045 /nfs/dbraw/zinc/80/90/45/1023809045.db2.gz PFZSWTKXFZUOER-GOSISDBHSA-N 2 0 313.445 3.784 20 0 DHADRP Cc1cc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000538750139 1033166265 /nfs/dbraw/zinc/16/62/65/1033166265.db2.gz DVUCHDHYDUGPDL-LJQANCHMSA-N 2 0 300.490 3.776 20 0 DHADRP C[NH+]1CCC(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000788478354 1023891615 /nfs/dbraw/zinc/89/16/15/1023891615.db2.gz HVXLYHJBLMSFBG-JOCHJYFZSA-N 2 0 320.480 3.976 20 0 DHADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000788479615 1023892134 /nfs/dbraw/zinc/89/21/34/1023892134.db2.gz XISZMAIPFMPTTB-QGZVFWFLSA-N 2 0 306.881 3.689 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000249580053 1023920282 /nfs/dbraw/zinc/92/02/82/1023920282.db2.gz NDSAYEIRUVEZPM-APWZRJJASA-N 2 0 316.489 3.783 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)[C@H](C)C1 ZINC000253354823 1023936079 /nfs/dbraw/zinc/93/60/79/1023936079.db2.gz MQQCCTUDXJICGA-ZJPYXAASSA-N 2 0 310.526 3.538 20 0 DHADRP COC1CC[NH+](C2CC[NH+]([C@@H](C)CCCC(C)C)CC2)CC1 ZINC001170089690 1023938876 /nfs/dbraw/zinc/93/88/76/1023938876.db2.gz AQPQUKGYDOINPU-KRWDZBQOSA-N 2 0 310.526 3.776 20 0 DHADRP CCC1([NH3+])CCN([C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000925759218 1024007937 /nfs/dbraw/zinc/00/79/37/1024007937.db2.gz LUOAQUQXLIUYMJ-CYBMUJFWSA-N 2 0 312.404 3.861 20 0 DHADRP c1ccc([C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CCC2)cc1 ZINC000662257486 1024035847 /nfs/dbraw/zinc/03/58/47/1024035847.db2.gz DAWAIHCDVDYGSB-NRFANRHFSA-N 2 0 306.453 3.963 20 0 DHADRP Cc1cccnc1[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000662265052 1024040964 /nfs/dbraw/zinc/04/09/64/1024040964.db2.gz UMGJMFMMFNGEFL-IBGZPJMESA-N 2 0 309.457 3.523 20 0 DHADRP CN(Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000662272233 1024047345 /nfs/dbraw/zinc/04/73/45/1024047345.db2.gz CUYUJOHRUISZJJ-CYBMUJFWSA-N 2 0 306.759 3.528 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000662284723 1024064965 /nfs/dbraw/zinc/06/49/65/1024064965.db2.gz OYMIDDUJPBVILC-XUVXKRRUSA-N 2 0 316.489 3.671 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000662287123 1024069485 /nfs/dbraw/zinc/06/94/85/1024069485.db2.gz WGVCCCOMHKQFRN-XUVXKRRUSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@@H](c1c(F)cccc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290974 1024072775 /nfs/dbraw/zinc/07/27/75/1024072775.db2.gz ARKJVAFMZIBCNO-ZFWWWQNUSA-N 2 0 308.416 3.737 20 0 DHADRP FC(F)c1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293560 1024073477 /nfs/dbraw/zinc/07/34/77/1024073477.db2.gz LWJBYTSLHDHPON-QGZVFWFLSA-N 2 0 308.416 3.836 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([C@@H]3CCC[NH2+]C3)CC1)CC2 ZINC000662291809 1024074640 /nfs/dbraw/zinc/07/46/40/1024074640.db2.gz KTGOQCJKDWQQJC-APWZRJJASA-N 2 0 302.437 3.525 20 0 DHADRP C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295358 1024078655 /nfs/dbraw/zinc/07/86/55/1024078655.db2.gz ZHNUGQCNUDBMMN-GOEBONIOSA-N 2 0 319.493 3.745 20 0 DHADRP FC(F)(F)c1cccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150810887 1024080952 /nfs/dbraw/zinc/08/09/52/1024080952.db2.gz ZVRVAROKPYTVHJ-HNNXBMFYSA-N 2 0 312.379 3.623 20 0 DHADRP Clc1ccc2sc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2n1 ZINC000876939586 1033186012 /nfs/dbraw/zinc/18/60/12/1033186012.db2.gz ILYCMEARMICWBV-VXGBXAGGSA-N 2 0 321.877 3.666 20 0 DHADRP CCN1CCC([NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000268715272 1024145816 /nfs/dbraw/zinc/14/58/16/1024145816.db2.gz IOVFHXIRBPVXSW-GFCCVEGCSA-N 2 0 316.367 3.720 20 0 DHADRP Fc1ccc2oc(CNC[C@H]3CCC[N@H+](CC4CC4)C3)cc2c1 ZINC000663346212 1024176435 /nfs/dbraw/zinc/17/64/35/1024176435.db2.gz QPLJKUGWYHAMHS-OAHLLOKOSA-N 2 0 316.420 3.784 20 0 DHADRP Cc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)ccc2n1 ZINC000663346964 1024178542 /nfs/dbraw/zinc/17/85/42/1024178542.db2.gz YTQMBVSNTVWIBV-IBGZPJMESA-N 2 0 323.484 3.755 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000162585207 1024188147 /nfs/dbraw/zinc/18/81/47/1024188147.db2.gz LBXQECFKLGYJFY-NRFANRHFSA-N 2 0 324.468 3.794 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001170123796 1024199699 /nfs/dbraw/zinc/19/96/99/1024199699.db2.gz DEHKTPPITBULSZ-KVPLUYHFSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000268976385 1024210515 /nfs/dbraw/zinc/21/05/15/1024210515.db2.gz GXYHYJIYBALOMJ-KGLIPLIRSA-N 2 0 305.491 3.720 20 0 DHADRP CSc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)o1 ZINC000883031214 1024219389 /nfs/dbraw/zinc/21/93/89/1024219389.db2.gz NGLDPJNFBYSSSL-UHFFFAOYSA-N 2 0 308.491 3.888 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000269011343 1024220743 /nfs/dbraw/zinc/22/07/43/1024220743.db2.gz NNCTUROFUQMIDM-MRXNPFEDSA-N 2 0 324.472 3.540 20 0 DHADRP C[C@@H](CCc1ccccc1F)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269054849 1024233139 /nfs/dbraw/zinc/23/31/39/1024233139.db2.gz WNZAUIXKSXSIRU-HNNXBMFYSA-N 2 0 304.453 3.753 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC3 ZINC000278868880 1024237894 /nfs/dbraw/zinc/23/78/94/1024237894.db2.gz WUDLCDKAKGKZHZ-XYTVBORESA-N 2 0 323.484 3.548 20 0 DHADRP CCOC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000662543674 1024245106 /nfs/dbraw/zinc/24/51/06/1024245106.db2.gz FTTSAAMCYUNDAS-UHFFFAOYSA-N 2 0 316.489 3.673 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC[P@@](C)(=O)OCC)CC1 ZINC000876976068 1033197107 /nfs/dbraw/zinc/19/71/07/1033197107.db2.gz MTBQUCIRXGZOKC-VFNWGFHPSA-N 2 0 318.442 3.564 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000531710355 1024275801 /nfs/dbraw/zinc/27/58/01/1024275801.db2.gz WVLNLXDQFWCXCH-CPUCHLNUSA-N 2 0 308.897 3.936 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000453083080 1024320331 /nfs/dbraw/zinc/32/03/31/1024320331.db2.gz LHWQAMRXPLEWCE-GOSISDBHSA-N 2 0 303.494 3.504 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000453083081 1024321658 /nfs/dbraw/zinc/32/16/58/1024321658.db2.gz LHWQAMRXPLEWCE-SFHVURJKSA-N 2 0 303.494 3.504 20 0 DHADRP Clc1cccc([C@H]2C[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168359674 1033203296 /nfs/dbraw/zinc/20/32/96/1033203296.db2.gz FFSGQZZELWZPOL-MSOLQXFVSA-N 2 0 304.865 3.660 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453113634 1024341176 /nfs/dbraw/zinc/34/11/76/1024341176.db2.gz UVFGXKYIOLKWAZ-QGZVFWFLSA-N 2 0 300.490 3.644 20 0 DHADRP Clc1cccc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168359681 1033204629 /nfs/dbraw/zinc/20/46/29/1033204629.db2.gz FFSGQZZELWZPOL-ZWKOTPCHSA-N 2 0 304.865 3.660 20 0 DHADRP CCn1ccnc1[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000453184444 1024384405 /nfs/dbraw/zinc/38/44/05/1024384405.db2.gz ZXKRKPAYDZHAIA-AOCRQIFASA-N 2 0 318.509 3.597 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000663466231 1024402812 /nfs/dbraw/zinc/40/28/12/1024402812.db2.gz PSASQULZODCZOI-ZBFHGGJFSA-N 2 0 314.464 3.912 20 0 DHADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464676 1024404321 /nfs/dbraw/zinc/40/43/21/1024404321.db2.gz FXDHHHIGBKKZFE-YJBOKZPZSA-N 2 0 306.519 3.781 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172454983 1033208860 /nfs/dbraw/zinc/20/88/60/1033208860.db2.gz MYWZBOXTKVRHLX-SFHVURJKSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466963 1024407696 /nfs/dbraw/zinc/40/76/96/1024407696.db2.gz CESVIKNITISCLE-PXNSSMCTSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883378988 1024410572 /nfs/dbraw/zinc/41/05/72/1024410572.db2.gz HYSCNTJDSBJXMR-VQIMIIECSA-N 2 0 320.521 3.578 20 0 DHADRP C([C@@H]1CCCO1)N1CCC([NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000877032157 1033213156 /nfs/dbraw/zinc/21/31/56/1033213156.db2.gz ZUORPRFVCBMLNU-FQEVSTJZSA-N 2 0 318.505 3.643 20 0 DHADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000877031861 1033213182 /nfs/dbraw/zinc/21/31/82/1033213182.db2.gz WJSFJUQLUHQEDP-QWFCFKBJSA-N 2 0 320.521 3.744 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1N(C)C ZINC000663467785 1024414794 /nfs/dbraw/zinc/41/47/94/1024414794.db2.gz HZYASUPGIYVGSW-AEFFLSMTSA-N 2 0 315.505 3.525 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663470525 1024424290 /nfs/dbraw/zinc/42/42/90/1024424290.db2.gz UUIZHLWOKHNYQK-QFBILLFUSA-N 2 0 304.453 3.988 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883424461 1024433523 /nfs/dbraw/zinc/43/35/23/1024433523.db2.gz TWQWECCLYQQZON-HLKUOHOZSA-N 2 0 314.473 3.641 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1)C1CCCC1 ZINC000883441877 1024436568 /nfs/dbraw/zinc/43/65/68/1024436568.db2.gz ZIWYQTUCACTBLR-QXAKKESOSA-N 2 0 320.521 3.708 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000453293752 1024444865 /nfs/dbraw/zinc/44/48/65/1024444865.db2.gz PAWUBTIHCXQBGR-ACBHZAAOSA-N 2 0 316.489 3.587 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000453275524 1024448652 /nfs/dbraw/zinc/44/86/52/1024448652.db2.gz YMNPLKYSNUFPKY-ZULIPRJHSA-N 2 0 318.505 3.548 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1cscn1 ZINC000271059715 1024452867 /nfs/dbraw/zinc/45/28/67/1024452867.db2.gz BTRSJGDEPDCPES-CQSZACIVSA-N 2 0 303.475 3.834 20 0 DHADRP Cc1csc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000453326742 1024466017 /nfs/dbraw/zinc/46/60/17/1024466017.db2.gz VKOCMWCJGFBSBE-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)cc1 ZINC000453333645 1024466197 /nfs/dbraw/zinc/46/61/97/1024466197.db2.gz BREAYISBPCORLE-NXEWRWPSSA-N 2 0 300.490 3.777 20 0 DHADRP CC(C)OCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172457947 1033213821 /nfs/dbraw/zinc/21/38/21/1033213821.db2.gz XATHXXVGZWLBJE-ICSRJNTNSA-N 2 0 318.505 3.644 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCc1cccc(OC)c1 ZINC001167824706 1024484997 /nfs/dbraw/zinc/48/49/97/1024484997.db2.gz FTARKQIHOOFULO-KRWDZBQOSA-N 2 0 306.494 3.680 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000453366658 1024488532 /nfs/dbraw/zinc/48/85/32/1024488532.db2.gz MEHZVMXVRLEJMY-HOJAQTOUSA-N 2 0 320.521 3.532 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000663500395 1024489179 /nfs/dbraw/zinc/48/91/79/1024489179.db2.gz REZIOTMQPGCVAM-IUODEOHRSA-N 2 0 313.283 3.516 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499516 1024492111 /nfs/dbraw/zinc/49/21/11/1024492111.db2.gz XVIHIQYTLBLNTN-UNXMRWRESA-N 2 0 324.390 3.683 20 0 DHADRP CCC(CC)[NH+]1CCC(C[NH2+][C@H](C)CCOCC(C)C)CC1 ZINC001172461199 1033214992 /nfs/dbraw/zinc/21/49/92/1033214992.db2.gz BBYMHJYHJWOKPN-QGZVFWFLSA-N 2 0 312.542 3.928 20 0 DHADRP C[C@H](c1cccnc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271408368 1024499263 /nfs/dbraw/zinc/49/92/63/1024499263.db2.gz YEOSCAPLYPFDCX-QGZVFWFLSA-N 2 0 324.472 3.776 20 0 DHADRP Cc1cccc(C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C2CC2)c1 ZINC000453400440 1024500106 /nfs/dbraw/zinc/50/01/06/1024500106.db2.gz MGKSGSKJDDRGTI-FQEVSTJZSA-N 2 0 300.490 3.780 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCCOc2ccc(F)cc21)C1CC1 ZINC000453412702 1024505060 /nfs/dbraw/zinc/50/50/60/1024505060.db2.gz WHVGEYITICRQNF-KRWDZBQOSA-N 2 0 306.425 3.503 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453395355 1024512538 /nfs/dbraw/zinc/51/25/38/1024512538.db2.gz HWNKMAHBOSCHON-INIZCTEOSA-N 2 0 304.478 3.999 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000453421368 1024517500 /nfs/dbraw/zinc/51/75/00/1024517500.db2.gz LYTNTITXZMMOCP-AOIWGVFYSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000271576981 1024543790 /nfs/dbraw/zinc/54/37/90/1024543790.db2.gz ZTFUXMNODCNKHS-IAGOWNOFSA-N 2 0 316.489 3.735 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000271603059 1024550592 /nfs/dbraw/zinc/55/05/92/1024550592.db2.gz VQGZNIFFIMXHCY-KRWDZBQOSA-N 2 0 303.494 3.799 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000532196171 1024572409 /nfs/dbraw/zinc/57/24/09/1024572409.db2.gz HJKUBIYNOZFTKZ-HNAYVOBHSA-N 2 0 304.478 3.763 20 0 DHADRP CC[C@H]([NH2+]CC(C)(C)N1CCC[C@H](CC)C1)C1CCOCC1 ZINC000532224841 1024579364 /nfs/dbraw/zinc/57/93/64/1024579364.db2.gz AWOZZLNYFNOCEE-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877063574 1033222376 /nfs/dbraw/zinc/22/23/76/1033222376.db2.gz KBRVYQDNHGXEOR-UHFFFAOYSA-N 2 0 321.852 3.693 20 0 DHADRP CSC1CCC(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000925800907 1024607716 /nfs/dbraw/zinc/60/77/16/1024607716.db2.gz GSFPVLDUOLWIEM-DZQINNCISA-N 2 0 318.530 3.991 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001167840711 1024648643 /nfs/dbraw/zinc/64/86/43/1024648643.db2.gz HSPHLGZUHSIWOH-IEBWSBKVSA-N 2 0 318.505 3.995 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2ccc(C(C)=O)cc2C1 ZINC001167840643 1024649147 /nfs/dbraw/zinc/64/91/47/1024649147.db2.gz GVDUIIADRUUKOD-INIZCTEOSA-N 2 0 316.489 3.758 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001167840714 1024649987 /nfs/dbraw/zinc/64/99/87/1024649987.db2.gz HSPHLGZUHSIWOH-PKOBYXMFSA-N 2 0 318.505 3.995 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001167840947 1024655147 /nfs/dbraw/zinc/65/51/47/1024655147.db2.gz INTZYXIEUZEKPU-IEBWSBKVSA-N 2 0 318.505 3.995 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CC/C=C/c1cccnc1 ZINC001167841415 1024658896 /nfs/dbraw/zinc/65/88/96/1024658896.db2.gz MRQAEBRUKRBOKZ-NUCSPZLJSA-N 2 0 303.494 3.927 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCC(=O)c1cccs1 ZINC001167842425 1024676286 /nfs/dbraw/zinc/67/62/86/1024676286.db2.gz XCWDUCGTSYAROV-OAHLLOKOSA-N 2 0 310.507 3.763 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2c(C)n[nH]c2C)CC1)CC(C)C ZINC000349409603 1024714370 /nfs/dbraw/zinc/71/43/70/1024714370.db2.gz RQAHGHLLIARJJI-UHFFFAOYSA-N 2 0 320.525 3.607 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H](C)Cc2ccccc2Cl)CC1 ZINC001170249947 1024722250 /nfs/dbraw/zinc/72/22/50/1024722250.db2.gz FBHFWNTVBKJCQV-OAHLLOKOSA-N 2 0 308.897 3.981 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001170250243 1024723876 /nfs/dbraw/zinc/72/38/76/1024723876.db2.gz INUGADBLCVNBCA-INIZCTEOSA-N 2 0 308.897 3.983 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)cc(C)n2)C1 ZINC000663670136 1024750561 /nfs/dbraw/zinc/75/05/61/1024750561.db2.gz GSCMMAIKJAUVIC-CYBMUJFWSA-N 2 0 315.383 3.577 20 0 DHADRP Nc1cccc2c1ccnc2NC1CC[NH+](C2CCCC2)CC1 ZINC000663691238 1024800703 /nfs/dbraw/zinc/80/07/03/1024800703.db2.gz BUMZXPONXKSJNX-UHFFFAOYSA-N 2 0 310.445 3.636 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666229563 1024807819 /nfs/dbraw/zinc/80/78/19/1024807819.db2.gz RHIMAMNGORZPFN-XOSAIJSUSA-N 2 0 308.416 3.530 20 0 DHADRP CCCCCC[C@@H](CCCC)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001172512353 1033240585 /nfs/dbraw/zinc/24/05/85/1033240585.db2.gz OMWMXHQOBJJPKH-LJQANCHMSA-N 2 0 311.558 3.695 20 0 DHADRP CCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000353135630 1024962079 /nfs/dbraw/zinc/96/20/79/1024962079.db2.gz JKEBNGWEMNHIDN-BHIYHBOVSA-N 2 0 301.478 3.572 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(Cl)ccc1OC ZINC000163231793 1024982423 /nfs/dbraw/zinc/98/24/23/1024982423.db2.gz PREHBWLQPFDEIN-XJKSGUPXSA-N 2 0 310.869 3.731 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000539055400 1033255518 /nfs/dbraw/zinc/25/55/18/1033255518.db2.gz TUYBRSVCYDVRQV-CWRNSKLLSA-N 2 0 310.869 3.570 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001168187049 1025012399 /nfs/dbraw/zinc/01/23/99/1025012399.db2.gz DJMLUWBDJWNQOT-OAHLLOKOSA-N 2 0 306.881 3.689 20 0 DHADRP ClC1(Cl)C[C@@H]1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000877144724 1033254578 /nfs/dbraw/zinc/25/45/78/1033254578.db2.gz UBOGLKPLVOACNW-OAHLLOKOSA-N 2 0 313.272 3.566 20 0 DHADRP CCC1(C[NH2+][C@H](C)[C@H](C)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000539042400 1033251356 /nfs/dbraw/zinc/25/13/56/1033251356.db2.gz GJLRODZSULOADN-MSOLQXFVSA-N 2 0 318.505 3.692 20 0 DHADRP CO[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000663758968 1025045744 /nfs/dbraw/zinc/04/57/44/1025045744.db2.gz LUIORDXDAZSQOI-FQEVSTJZSA-N 2 0 316.489 3.673 20 0 DHADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CC1CCC1)CC2 ZINC001202722046 1025059883 /nfs/dbraw/zinc/05/98/83/1025059883.db2.gz NFHLUXXZZNDWGZ-SFHVURJKSA-N 2 0 302.462 3.756 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000353502135 1025092012 /nfs/dbraw/zinc/09/20/12/1025092012.db2.gz KVGYIUVPSCLWHN-UHFFFAOYSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000539063701 1033259277 /nfs/dbraw/zinc/25/92/77/1033259277.db2.gz SATDSZLBSHZHFW-LWYYNNOASA-N 2 0 322.537 3.559 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000793530745 1025107809 /nfs/dbraw/zinc/10/78/09/1025107809.db2.gz XLOGCAQIXZITTA-QRQLOZEOSA-N 2 0 316.489 3.554 20 0 DHADRP CCCCc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000321664227 1025119038 /nfs/dbraw/zinc/11/90/38/1025119038.db2.gz RGVRCGXNSVZKLH-VDGAXYAQSA-N 2 0 316.489 3.543 20 0 DHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168192987 1025166797 /nfs/dbraw/zinc/16/67/97/1025166797.db2.gz OUPYFGGAZPMNMR-USXIJHARSA-N 2 0 306.881 3.545 20 0 DHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001168192979 1025167529 /nfs/dbraw/zinc/16/75/29/1025167529.db2.gz OUPYFGGAZPMNMR-BHYGNILZSA-N 2 0 306.881 3.545 20 0 DHADRP CSC1(C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC[NH+](C)CC1 ZINC000353658302 1025182818 /nfs/dbraw/zinc/18/28/18/1025182818.db2.gz KZXJTVXCBZANKZ-CYBMUJFWSA-N 2 0 320.493 3.617 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539067660 1033264554 /nfs/dbraw/zinc/26/45/54/1033264554.db2.gz GVKBGGXCXOOQQK-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843275 1025228216 /nfs/dbraw/zinc/22/82/16/1025228216.db2.gz MNWNTBCXPPKZAV-DXCKQFNASA-N 2 0 307.507 3.758 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c3cccnc23)C[C@@H]1C ZINC000353754223 1025237229 /nfs/dbraw/zinc/23/72/29/1025237229.db2.gz YZVLVDFWAFUIEM-HOCLYGCPSA-N 2 0 315.436 3.679 20 0 DHADRP CSc1ccccc1C[N@H+](C)CCCCn1ccnc1C ZINC000348332782 1025241323 /nfs/dbraw/zinc/24/13/23/1025241323.db2.gz WGRMXWJOCXIVOX-UHFFFAOYSA-N 2 0 303.475 3.826 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000044517815 1025257626 /nfs/dbraw/zinc/25/76/26/1025257626.db2.gz SDUFRVQKVSLUSA-INIZCTEOSA-N 2 0 308.466 3.684 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2ccc(C3([NH3+])CC3)cc2)CC1(C)C ZINC001170450564 1025293318 /nfs/dbraw/zinc/29/33/18/1025293318.db2.gz ALKDPROGSMHUTN-UHFFFAOYSA-N 2 0 301.478 3.698 20 0 DHADRP Cc1ccc(CCC[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000353926960 1025294992 /nfs/dbraw/zinc/29/49/92/1025294992.db2.gz IARARUJRLPEQNP-SFHVURJKSA-N 2 0 303.494 3.567 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccs1 ZINC000171126773 1025300248 /nfs/dbraw/zinc/30/02/48/1025300248.db2.gz RYFSHKKEJBPQTQ-HNNXBMFYSA-N 2 0 318.486 3.929 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000279892024 1025308439 /nfs/dbraw/zinc/30/84/39/1025308439.db2.gz ABLHUVSASQMSBJ-NAHQNRHBSA-N 2 0 304.453 3.780 20 0 DHADRP COc1ccc(CC2([NH3+])CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC001168206063 1025320833 /nfs/dbraw/zinc/32/08/33/1025320833.db2.gz PWQQRJCMQQJQIA-UHFFFAOYSA-N 2 0 316.489 3.610 20 0 DHADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666638359 1025324150 /nfs/dbraw/zinc/32/41/50/1025324150.db2.gz DBIQCHSPAMUHFS-RYRKJORJSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@@H]1C[C@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000666638434 1025328327 /nfs/dbraw/zinc/32/83/27/1025328327.db2.gz OCUGVYLCKPPZCX-ZIAGYGMSSA-N 2 0 308.416 3.532 20 0 DHADRP CCc1ccc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)cc1 ZINC000354033317 1025329356 /nfs/dbraw/zinc/32/93/56/1025329356.db2.gz KHEBQIJCKRBECJ-UHFFFAOYSA-N 2 0 318.505 3.572 20 0 DHADRP COCc1cccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924683613 1033274787 /nfs/dbraw/zinc/27/47/87/1033274787.db2.gz GHIFSXMAZUCEAT-MRXNPFEDSA-N 2 0 312.457 3.745 20 0 DHADRP Cc1cnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c2[nH]ccc21 ZINC001170454041 1025329645 /nfs/dbraw/zinc/32/96/45/1025329645.db2.gz RVJZOHGEDRJIGQ-UHFFFAOYSA-N 2 0 300.450 3.935 20 0 DHADRP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CCS2 ZINC000925857673 1025334504 /nfs/dbraw/zinc/33/45/04/1025334504.db2.gz HUYDCGVHKXBTKW-ULQDDVLXSA-N 2 0 308.535 3.563 20 0 DHADRP C[N@@H+](Cc1cccc(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC000093089308 1025357413 /nfs/dbraw/zinc/35/74/13/1025357413.db2.gz GGFHHJIWSCKLFJ-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123613651 1025391072 /nfs/dbraw/zinc/39/10/72/1025391072.db2.gz YHEVPTDGEQDXQE-HUUCEWRRSA-N 2 0 301.409 3.575 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000885915595 1025403991 /nfs/dbraw/zinc/40/39/91/1025403991.db2.gz ASEIELCMKNXFTF-PMACEKPBSA-N 2 0 316.489 3.720 20 0 DHADRP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCc2ccc(C)nc2)C1 ZINC000354331804 1025407908 /nfs/dbraw/zinc/40/79/08/1025407908.db2.gz SHCYPYDLHSJUFK-SFHVURJKSA-N 2 0 317.521 3.813 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000886043530 1025450457 /nfs/dbraw/zinc/45/04/57/1025450457.db2.gz DNBMNFOYHBZFBS-OAHAVBBTSA-N 2 0 322.537 3.967 20 0 DHADRP COCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924685093 1033287539 /nfs/dbraw/zinc/28/75/39/1033287539.db2.gz OLPFASUFJLQOAS-IHWFROFDSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127046 1025518418 /nfs/dbraw/zinc/51/84/18/1025518418.db2.gz ACRYYAQMRREJQL-SCTDSRPQSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127663 1025520424 /nfs/dbraw/zinc/52/04/24/1025520424.db2.gz PFHLXSQZMYKKAD-DLBZAZTESA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000128211763 1025570902 /nfs/dbraw/zinc/57/09/02/1025570902.db2.gz LXJAGURDXUDPMP-HNNXBMFYSA-N 2 0 313.420 3.849 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924685808 1033292296 /nfs/dbraw/zinc/29/22/96/1033292296.db2.gz QIIJCDNOUDYZDQ-ZVBHREPYSA-N 2 0 322.537 3.682 20 0 DHADRP CC1(C)CO[C@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000886306079 1025586637 /nfs/dbraw/zinc/58/66/37/1025586637.db2.gz YUYDEPKIOBNGOU-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP CSCCC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCCSC)CC1 ZINC000886392181 1025613484 /nfs/dbraw/zinc/61/34/84/1025613484.db2.gz ZOJJVOPWUAFSJF-WKILWMFISA-N 2 0 318.596 3.667 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069376845 1025634540 /nfs/dbraw/zinc/63/45/40/1025634540.db2.gz QUVSMOSOJLMMPC-QLFBSQMISA-N 2 0 306.416 3.962 20 0 DHADRP COc1ccc(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000886487830 1025646802 /nfs/dbraw/zinc/64/68/02/1025646802.db2.gz WWXKMRXRLYFBMH-UHFFFAOYSA-N 2 0 316.489 3.624 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886524558 1025676691 /nfs/dbraw/zinc/67/66/91/1025676691.db2.gz MJXMOFNGNAAVCQ-SCLBCKFNSA-N 2 0 315.436 3.616 20 0 DHADRP Cc1nc(C)c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886532588 1025680379 /nfs/dbraw/zinc/68/03/79/1025680379.db2.gz LNYIEQIIUYYDIE-UHFFFAOYSA-N 2 0 307.507 3.647 20 0 DHADRP Cc1nc(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)sc1C ZINC000886541297 1025686284 /nfs/dbraw/zinc/68/62/84/1025686284.db2.gz TWNWJSBNMBFXJD-UHFFFAOYSA-N 2 0 321.534 3.689 20 0 DHADRP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886580831 1025719585 /nfs/dbraw/zinc/71/95/85/1025719585.db2.gz ZUHAJLZYYPIDDU-FUFFSDJGSA-N 2 0 322.537 3.967 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC000886590178 1025727495 /nfs/dbraw/zinc/72/74/95/1025727495.db2.gz PGOIGYVKJJEWFW-XBMUEBEBSA-N 2 0 308.510 3.722 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000886605487 1025732252 /nfs/dbraw/zinc/73/22/52/1025732252.db2.gz SBZSDRXPIAISPD-FHERZECASA-N 2 0 300.437 3.809 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000886637615 1025753297 /nfs/dbraw/zinc/75/32/97/1025753297.db2.gz ASCQRIHJIWGHPK-QJTDPOQLSA-N 2 0 314.473 3.552 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000133010779 1025763770 /nfs/dbraw/zinc/76/37/70/1025763770.db2.gz MBVCQWHACXWIHL-YLJYHZDGSA-N 2 0 322.537 3.826 20 0 DHADRP CC[N@@H+](Cc1nc2c(s1)CN(C(C)C)CC2)CC1CCC1 ZINC000355595496 1025779535 /nfs/dbraw/zinc/77/95/35/1025779535.db2.gz BFJWIQKLQSGOLY-UHFFFAOYSA-N 2 0 307.507 3.532 20 0 DHADRP C[C@H]1CCC[C@H](C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000133645123 1025782453 /nfs/dbraw/zinc/78/24/53/1025782453.db2.gz GYOCYIGOEOZOJD-WMZOPIPTSA-N 2 0 301.478 3.714 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)C(C)(C)C ZINC000806140955 1025800816 /nfs/dbraw/zinc/80/08/16/1025800816.db2.gz OGRISHXPYIPDDZ-HIFRSBDPSA-N 2 0 309.885 3.678 20 0 DHADRP CCSCC[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000355734651 1025822473 /nfs/dbraw/zinc/82/24/73/1025822473.db2.gz NILOYSRTJCMVRU-MRXNPFEDSA-N 2 0 306.519 3.904 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1F ZINC000262336916 1025834713 /nfs/dbraw/zinc/83/47/13/1025834713.db2.gz TUNVVJYKTCGJEA-OFQRWUPVSA-N 2 0 308.441 3.796 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000136598823 1025868702 /nfs/dbraw/zinc/86/87/02/1025868702.db2.gz YHUYIZODEPWQIX-JENIJYKNSA-N 2 0 309.457 3.643 20 0 DHADRP CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000261673786 1025889616 /nfs/dbraw/zinc/88/96/16/1025889616.db2.gz LQWWPTMDZGNUQE-UHFFFAOYSA-N 2 0 316.367 3.549 20 0 DHADRP Cc1csc(C[C@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n1 ZINC000886857977 1025967437 /nfs/dbraw/zinc/96/74/37/1025967437.db2.gz IKHQIGMVBGYVOA-MRXNPFEDSA-N 2 0 309.523 3.615 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CSc2ccccc2)C1 ZINC000089614395 1026059745 /nfs/dbraw/zinc/05/97/45/1026059745.db2.gz XTAVUCSNXDFGMY-IRXDYDNUSA-N 2 0 304.503 3.585 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167919307 1026095092 /nfs/dbraw/zinc/09/50/92/1026095092.db2.gz XYWNPCAQQHZAAN-SMTGMISWSA-N 2 0 302.437 3.696 20 0 DHADRP COC1(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCC1 ZINC000429424285 1026112937 /nfs/dbraw/zinc/11/29/37/1026112937.db2.gz ZPGFEWZVPLISBF-YESZJQIVSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1C[C@H](N(C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644575 1026120894 /nfs/dbraw/zinc/12/08/94/1026120894.db2.gz RTDLZNJBDLLZJA-IAQYHMDHSA-N 2 0 318.358 3.759 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCOC1 ZINC000121633942 1026146496 /nfs/dbraw/zinc/14/64/96/1026146496.db2.gz MILUMBBCSBKTGH-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419341522 1026185071 /nfs/dbraw/zinc/18/50/71/1026185071.db2.gz YUWZBLZEFSQZFW-RTBURBONSA-N 2 0 323.569 3.549 20 0 DHADRP Clc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCC2)cc1 ZINC000647792157 1026194834 /nfs/dbraw/zinc/19/48/34/1026194834.db2.gz UPJFNMCHFZRHFA-JKIFEVAISA-N 2 0 304.865 3.697 20 0 DHADRP COc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000765261770 1026207963 /nfs/dbraw/zinc/20/79/63/1026207963.db2.gz ODRYRRVNJKNDIA-UHFFFAOYSA-N 2 0 324.468 3.758 20 0 DHADRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167925598 1026279566 /nfs/dbraw/zinc/27/95/66/1026279566.db2.gz CQNNRMNQSAIFTD-FAJBIJEISA-N 2 0 314.473 3.755 20 0 DHADRP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647793611 1026281147 /nfs/dbraw/zinc/28/11/47/1026281147.db2.gz BVXYZQNPHVATCF-GEALJGNFSA-N 2 0 300.490 3.719 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCCC2)cc1 ZINC000647793870 1026284249 /nfs/dbraw/zinc/28/42/49/1026284249.db2.gz KJRYPINKPZMJMD-VAMGGRTRSA-N 2 0 312.501 3.767 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000430143705 1026467235 /nfs/dbraw/zinc/46/72/35/1026467235.db2.gz XTVAMOXAYWGCDZ-WMZOPIPTSA-N 2 0 310.526 3.824 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000513336178 1026480603 /nfs/dbraw/zinc/48/06/03/1026480603.db2.gz VWHDCZOMQYKGOJ-YMPIPDKKSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000513545985 1026538361 /nfs/dbraw/zinc/53/83/61/1026538361.db2.gz URKYNWBSBBTMEY-FXAWDEMLSA-N 2 0 324.468 3.783 20 0 DHADRP CCc1nc(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cs1 ZINC000924908433 1026552605 /nfs/dbraw/zinc/55/26/05/1026552605.db2.gz QVAINOZWHVXRKU-CQSZACIVSA-N 2 0 317.502 3.660 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC[NH+](C)CC1 ZINC000810253547 1026730885 /nfs/dbraw/zinc/73/08/85/1026730885.db2.gz WPSZZBNWGKROSH-IXDOHACOSA-N 2 0 310.551 3.762 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000420296888 1026797073 /nfs/dbraw/zinc/79/70/73/1026797073.db2.gz CLDYVARWZQUSLH-MRXNPFEDSA-N 2 0 318.848 3.523 20 0 DHADRP COc1ccc([C@H]2CCCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420316638 1026799224 /nfs/dbraw/zinc/79/92/24/1026799224.db2.gz MVMNKEUWNZYVHU-QFBILLFUSA-N 2 0 302.462 3.612 20 0 DHADRP CC(C)([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420310517 1026799734 /nfs/dbraw/zinc/79/97/34/1026799734.db2.gz VCXDVSYYQZWMEE-NSHDSACASA-N 2 0 301.261 3.818 20 0 DHADRP CC(C)c1ccc([C@@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320355 1026803153 /nfs/dbraw/zinc/80/31/53/1026803153.db2.gz BJYFQJUDAVAAJQ-APWZRJJASA-N 2 0 316.489 3.558 20 0 DHADRP Brc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420318853 1026804891 /nfs/dbraw/zinc/80/48/91/1026804891.db2.gz PAKBWFBRJPKZRX-CJNGLKHVSA-N 2 0 323.278 3.586 20 0 DHADRP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330157 1026805768 /nfs/dbraw/zinc/80/57/68/1026805768.db2.gz PNJOPBFCKSOFHJ-BPLDGKMQSA-N 2 0 310.844 3.862 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325145 1026807130 /nfs/dbraw/zinc/80/71/30/1026807130.db2.gz IHJSCTKEFAACOB-IYOUNJFTSA-N 2 0 304.865 3.649 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420328302 1026807164 /nfs/dbraw/zinc/80/71/64/1026807164.db2.gz ZCNPVXVQABZEEM-QFBILLFUSA-N 2 0 302.462 3.612 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420377626 1026808737 /nfs/dbraw/zinc/80/87/37/1026808737.db2.gz PVXRTQMLFVALTQ-CJNGLKHVSA-N 2 0 312.379 3.842 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000420421228 1026814629 /nfs/dbraw/zinc/81/46/29/1026814629.db2.gz YOCXATJJLJYLAE-QWHCGFSZSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(C3CC3)c2)C[C@@H](C)O1 ZINC000421352297 1026959513 /nfs/dbraw/zinc/95/95/13/1026959513.db2.gz CXAAOMVBIUBYTM-IAGOWNOFSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421352294 1026959878 /nfs/dbraw/zinc/95/98/78/1026959878.db2.gz CXAAOMVBIUBYTM-CALCHBBNSA-N 2 0 316.489 3.543 20 0 DHADRP COc1ccc([C@H]([NH2+]CCCC[N@H+](C)C2CC2)C(C)C)c(F)c1 ZINC000421849309 1027075260 /nfs/dbraw/zinc/07/52/60/1027075260.db2.gz BSWHFZARPDQTIE-LJQANCHMSA-N 2 0 322.468 3.995 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421873203 1027082633 /nfs/dbraw/zinc/08/26/33/1027082633.db2.gz HNFOQQFKJBMRCC-JQRITLKVSA-N 2 0 312.860 3.873 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000571762760 1027147271 /nfs/dbraw/zinc/14/72/71/1027147271.db2.gz LHIOAEVCSVRFRF-MOPGFXCFSA-N 2 0 309.457 3.665 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000561976907 1027151804 /nfs/dbraw/zinc/15/18/04/1027151804.db2.gz WTMXJNOBFUYFAS-CABCVRRESA-N 2 0 310.432 3.606 20 0 DHADRP COc1ccccc1CN(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000561975637 1027151969 /nfs/dbraw/zinc/15/19/69/1027151969.db2.gz NCZJSGAKBDTNQG-UHFFFAOYSA-N 2 0 324.468 3.792 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000561975428 1027153477 /nfs/dbraw/zinc/15/34/77/1027153477.db2.gz MDDNDGDNKOKRTB-CRAIPNDOSA-N 2 0 304.453 3.593 20 0 DHADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000931611268 1027189910 /nfs/dbraw/zinc/18/99/10/1027189910.db2.gz KFZDROATTNZCKU-MUJYYYPQSA-N 2 0 312.448 3.618 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000572355562 1027196333 /nfs/dbraw/zinc/19/63/33/1027196333.db2.gz DEPJFWXVNSOSKK-LPHOPBHVSA-N 2 0 318.505 3.558 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000562097217 1027233299 /nfs/dbraw/zinc/23/32/99/1027233299.db2.gz LGZJYMPPVHNUSL-CQSZACIVSA-N 2 0 324.559 3.887 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ncsc2c1 ZINC000362515285 1027257479 /nfs/dbraw/zinc/25/74/79/1027257479.db2.gz FTFJHBINXPJMNR-QEJZJMRPSA-N 2 0 301.459 3.574 20 0 DHADRP C[C@@H]1C[C@H](C)N(Cc2cnc(-c3cccs3)s2)C[C@H]1C[NH3+] ZINC000422565404 1027284698 /nfs/dbraw/zinc/28/46/98/1027284698.db2.gz YXUUSIVBZVGWBU-FRRDWIJNSA-N 2 0 321.515 3.677 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000422728792 1027298780 /nfs/dbraw/zinc/29/87/80/1027298780.db2.gz ARXLEFLPAMUAGM-MJGOQNOKSA-N 2 0 315.505 3.556 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000422715243 1027303635 /nfs/dbraw/zinc/30/36/35/1027303635.db2.gz SCCGSNAMPLOEPL-ZALBZXLWSA-N 2 0 300.368 3.787 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCn1ccc2ccccc21 ZINC000422758619 1027305983 /nfs/dbraw/zinc/30/59/83/1027305983.db2.gz KMOHRJITKDXIKX-XLIONFOSSA-N 2 0 321.468 3.580 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737472 1027306857 /nfs/dbraw/zinc/30/68/57/1027306857.db2.gz ZMYNEVPDDSROGO-LAUBAEHRSA-N 2 0 324.468 3.743 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422746589 1027309568 /nfs/dbraw/zinc/30/95/68/1027309568.db2.gz ZXZXHYORLIEOQV-IAGOWNOFSA-N 2 0 320.358 3.982 20 0 DHADRP c1cc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)ccn1 ZINC000422755418 1027313530 /nfs/dbraw/zinc/31/35/30/1027313530.db2.gz BPGGGVSQWZWBOM-PWRODBHTSA-N 2 0 321.468 3.759 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422783052 1027317445 /nfs/dbraw/zinc/31/74/45/1027317445.db2.gz MOYTYYQVSMQEPQ-OALUTQOASA-N 2 0 305.425 3.753 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000422776231 1027317882 /nfs/dbraw/zinc/31/78/82/1027317882.db2.gz CIKMMAVRHMHTOY-XOYOTBSWSA-N 2 0 306.519 3.827 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)c1 ZINC000422779550 1027318926 /nfs/dbraw/zinc/31/89/26/1027318926.db2.gz CAKVZAWGOLDCKD-UHFFFAOYSA-N 2 0 324.468 3.969 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422797934 1027321856 /nfs/dbraw/zinc/32/18/56/1027321856.db2.gz PDBOPTBQAMNHJZ-VLDUQVBPSA-N 2 0 322.443 3.969 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422794774 1027322195 /nfs/dbraw/zinc/32/21/95/1027322195.db2.gz ZJAFASIVBIKHAA-PNHOKKKMSA-N 2 0 310.441 3.751 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1OCC ZINC000422764579 1027322524 /nfs/dbraw/zinc/32/25/24/1027322524.db2.gz VGPVIKYNLUQFOV-HPUBIQBYSA-N 2 0 320.477 3.652 20 0 DHADRP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422763429 1027323408 /nfs/dbraw/zinc/32/34/08/1027323408.db2.gz OPNKBILBKMHJKB-IXDOHACOSA-N 2 0 300.471 3.912 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2)cs1 ZINC000422800912 1027327515 /nfs/dbraw/zinc/32/75/15/1027327515.db2.gz DFWAGJFIOGNPPY-AVGNSLFASA-N 2 0 303.475 3.895 20 0 DHADRP [NH3+][C@@H]1C[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000422802249 1027327882 /nfs/dbraw/zinc/32/78/82/1027327882.db2.gz DDXCDSUPJFGRFK-NHCUHLMSSA-N 2 0 321.468 3.517 20 0 DHADRP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422837860 1027337447 /nfs/dbraw/zinc/33/74/47/1027337447.db2.gz VNEBCZDPOOJRRU-XUVXKRRUSA-N 2 0 316.489 3.624 20 0 DHADRP CCO[C@H](CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C1CCCC1 ZINC000422817430 1027339534 /nfs/dbraw/zinc/33/95/34/1027339534.db2.gz CYPJHGYRHPXNSD-LSTHTHJFSA-N 2 0 318.505 3.520 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422859894 1027342999 /nfs/dbraw/zinc/34/29/99/1027342999.db2.gz LHSOWZDLRSYCCZ-RYQLBKOJSA-N 2 0 320.452 3.625 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422862853 1027343828 /nfs/dbraw/zinc/34/38/28/1027343828.db2.gz QNZYGIJXTJUPEY-OAHLLOKOSA-N 2 0 311.473 3.786 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c2c1 ZINC000422852554 1027344275 /nfs/dbraw/zinc/34/42/75/1027344275.db2.gz XYWPCHZTNQQPKS-UYAOXDASSA-N 2 0 305.425 3.753 20 0 DHADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC000422876978 1027345972 /nfs/dbraw/zinc/34/59/72/1027345972.db2.gz HCCMSFXVXJPJIJ-ACJTYDJDSA-N 2 0 313.272 3.970 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000422902589 1027352910 /nfs/dbraw/zinc/35/29/10/1027352910.db2.gz NBWPSTNODAJXNF-GWCFXTLKSA-N 2 0 317.260 3.924 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422901627 1027354254 /nfs/dbraw/zinc/35/42/54/1027354254.db2.gz SJGWCQQOWYZIKU-GBESFXJTSA-N 2 0 316.464 3.758 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](C)c1cnccc1N ZINC000422903754 1027355793 /nfs/dbraw/zinc/35/57/93/1027355793.db2.gz WKPIZMGFGBFJDD-ZDUSSCGKSA-N 2 0 319.836 3.576 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2cccc(C)c2)c1 ZINC000422907240 1027357546 /nfs/dbraw/zinc/35/75/46/1027357546.db2.gz LEKMDLCJHRJIOU-HXUWFJFHSA-N 2 0 312.457 3.506 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422915085 1027357564 /nfs/dbraw/zinc/35/75/64/1027357564.db2.gz XATLBRCSVOFQLA-NHCUHLMSSA-N 3 0 323.484 3.761 20 0 DHADRP C1C[C@H]([C@H]2CCCC[NH2+]2)[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000422922955 1027363278 /nfs/dbraw/zinc/36/32/78/1027363278.db2.gz UUKRZCBFAOIIEM-QRVBRYPASA-N 2 0 320.521 3.626 20 0 DHADRP Cc1sc(CC[NH2+][C@@H](C)CCCC[NH3+])nc1-c1ccccc1 ZINC000422925364 1027363430 /nfs/dbraw/zinc/36/34/30/1027363430.db2.gz BNHNVIWJQRKBNR-AWEZNQCLSA-N 2 0 317.502 3.768 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(OC(F)(F)F)c1 ZINC000422929742 1027365752 /nfs/dbraw/zinc/36/57/52/1027365752.db2.gz RJAIYUUUKOVMQO-QFWMXSHPSA-N 2 0 302.340 3.506 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000422933054 1027366105 /nfs/dbraw/zinc/36/61/05/1027366105.db2.gz DCQUMTFZSPKCPU-RYUDHWBXSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000422940003 1027367493 /nfs/dbraw/zinc/36/74/93/1027367493.db2.gz MRQGIANOMLZWGH-RYUDHWBXSA-N 2 0 311.267 3.544 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1OCC(C)C ZINC000422942405 1027368372 /nfs/dbraw/zinc/36/83/72/1027368372.db2.gz PSJGCXMPDWOAHZ-HUUCEWRRSA-N 2 0 308.466 3.508 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OCCC(C)C ZINC000422942494 1027369797 /nfs/dbraw/zinc/36/97/97/1027369797.db2.gz KMJIFCWFUJRIBO-JYJNAYRXSA-N 2 0 322.493 3.897 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422943386 1027369802 /nfs/dbraw/zinc/36/98/02/1027369802.db2.gz KFDSVMQXAUDSBZ-OWCLPIDISA-N 2 0 322.518 3.544 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccccc2)cc1 ZINC000422945762 1027374870 /nfs/dbraw/zinc/37/48/70/1027374870.db2.gz NUENUHGCKLPWRC-JXXFODFXSA-N 2 0 312.457 3.890 20 0 DHADRP Clc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422944274 1027374937 /nfs/dbraw/zinc/37/49/37/1027374937.db2.gz LGJGBALVMGTBRK-KURKYZTESA-N 2 0 306.881 3.783 20 0 DHADRP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422948986 1027375345 /nfs/dbraw/zinc/37/53/45/1027375345.db2.gz TZCHZHSWFHXQNE-PWRODBHTSA-N 2 0 308.469 3.893 20 0 DHADRP c1ccc(C2([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422944543 1027375567 /nfs/dbraw/zinc/37/55/67/1027375567.db2.gz ZWMPYZKLDSQYTC-QUCCMNQESA-N 2 0 320.436 3.521 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2ccccc2)cc1 ZINC000422945763 1027376167 /nfs/dbraw/zinc/37/61/67/1027376167.db2.gz NUENUHGCKLPWRC-RZQQEMMASA-N 2 0 312.457 3.890 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000422945780 1027376436 /nfs/dbraw/zinc/37/64/36/1027376436.db2.gz NWIOZYOWOCVTNE-NVXWUHKLSA-N 2 0 320.477 3.667 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422946493 1027377119 /nfs/dbraw/zinc/37/71/19/1027377119.db2.gz OXEXLYZYOPJYEZ-FZMZJTMJSA-N 2 0 301.261 3.514 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC000362760527 1027377424 /nfs/dbraw/zinc/37/74/24/1027377424.db2.gz VTDFULOMWMVERU-HXUWFJFHSA-N 2 0 309.457 3.568 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422957291 1027377906 /nfs/dbraw/zinc/37/79/06/1027377906.db2.gz NCUYXMXCFSITKY-NEPJUHHUSA-N 2 0 300.368 3.800 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422995104 1027383779 /nfs/dbraw/zinc/38/37/79/1027383779.db2.gz JHRVGKMSVQYEKQ-FXAWDEMLSA-N 2 0 308.469 3.557 20 0 DHADRP c1csc([C@@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422980962 1027385978 /nfs/dbraw/zinc/38/59/78/1027385978.db2.gz NBNNOLBYIMYVLJ-UJJTZGENSA-N 2 0 312.482 3.905 20 0 DHADRP CCOc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423001142 1027387492 /nfs/dbraw/zinc/38/74/92/1027387492.db2.gz WSMPZYQWLGSQLJ-SLFFLAALSA-N 2 0 316.489 3.528 20 0 DHADRP CCOc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423001141 1027388021 /nfs/dbraw/zinc/38/80/21/1027388021.db2.gz WSMPZYQWLGSQLJ-HSALFYBXSA-N 2 0 316.489 3.528 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)Nc1ccccc1 ZINC000422981576 1027388057 /nfs/dbraw/zinc/38/80/57/1027388057.db2.gz SYYBBNXDOMNECA-AQNXPRMDSA-N 2 0 309.457 3.858 20 0 DHADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423013892 1027389064 /nfs/dbraw/zinc/38/90/64/1027389064.db2.gz NSRHMHUMCMHNHH-PNHOKKKMSA-N 2 0 310.441 3.608 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423008613 1027391784 /nfs/dbraw/zinc/39/17/84/1027391784.db2.gz ARELBFXBFWVDOI-HZPDHXFCSA-N 2 0 310.869 3.531 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000423020465 1027394658 /nfs/dbraw/zinc/39/46/58/1027394658.db2.gz BOJACNCSOMAFGY-NWDGAFQWSA-N 2 0 300.368 3.539 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423048902 1027395254 /nfs/dbraw/zinc/39/52/54/1027395254.db2.gz JJPFZXNEVMWNOP-RTWAWAEBSA-N 2 0 308.469 3.557 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423024561 1027398140 /nfs/dbraw/zinc/39/81/40/1027398140.db2.gz MATLWGTYUSJAPU-RDBSUJKOSA-N 2 0 314.395 3.929 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)c2ccccc21 ZINC000423064985 1027403754 /nfs/dbraw/zinc/40/37/54/1027403754.db2.gz ALWHABSODRWVSD-HZPDHXFCSA-N 2 0 318.367 3.565 20 0 DHADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cc(F)cc(Br)c1 ZINC000423063596 1027404157 /nfs/dbraw/zinc/40/41/57/1027404157.db2.gz PIBYLWPEQHSVJG-YGRLFVJLSA-N 2 0 317.246 3.756 20 0 DHADRP COCCC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423065245 1027404631 /nfs/dbraw/zinc/40/46/31/1027404631.db2.gz SYQMDCOMYQAWEX-ZWKOTPCHSA-N 2 0 302.462 3.708 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423053477 1027406610 /nfs/dbraw/zinc/40/66/10/1027406610.db2.gz SMKLIBIPEXMMFY-QRWLVFNGSA-N 2 0 322.452 3.832 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423087531 1027409685 /nfs/dbraw/zinc/40/96/85/1027409685.db2.gz PRIAEHVCQITWNO-AITUJVMLSA-N 2 0 302.437 3.713 20 0 DHADRP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423079771 1027410385 /nfs/dbraw/zinc/41/03/85/1027410385.db2.gz AVCIHBMBUOPNEN-MTQWCTHYSA-N 2 0 316.489 3.665 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1CCC12CCCC2 ZINC000423079249 1027411030 /nfs/dbraw/zinc/41/10/30/1027411030.db2.gz XVCVQDRUOUEDHI-YVWKXTFCSA-N 2 0 312.457 3.555 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423083255 1027411917 /nfs/dbraw/zinc/41/19/17/1027411917.db2.gz YLUGCBLTKCFPRC-MTFMMBMASA-N 2 0 316.489 3.665 20 0 DHADRP CSc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423096452 1027413673 /nfs/dbraw/zinc/41/36/73/1027413673.db2.gz OVZWHECFNIOCND-CEXWTWQISA-N 2 0 318.530 3.851 20 0 DHADRP FC(F)(F)c1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423094891 1027413817 /nfs/dbraw/zinc/41/38/17/1027413817.db2.gz KVBZKDCIZDITBO-ABWAJUOPSA-N 2 0 324.390 3.824 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423096334 1027414433 /nfs/dbraw/zinc/41/44/33/1027414433.db2.gz HLEOWZAQUZASQK-JQLKTRHNSA-N 2 0 310.844 3.703 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423095836 1027415349 /nfs/dbraw/zinc/41/53/49/1027415349.db2.gz NEAPGHROFUNOKK-NLRBGTRBSA-N 2 0 300.368 3.667 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423095835 1027415711 /nfs/dbraw/zinc/41/57/11/1027415711.db2.gz NEAPGHROFUNOKK-NDPMZMCLSA-N 2 0 300.368 3.667 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC(c2ccccc2)C1 ZINC000423115829 1027416939 /nfs/dbraw/zinc/41/69/39/1027416939.db2.gz OJSOWAFWNXWBMO-KSCTXSPISA-N 2 0 308.469 3.728 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423101723 1027419244 /nfs/dbraw/zinc/41/92/44/1027419244.db2.gz IYUXNUBYXTZVRA-ABAIWWIYSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)c(Br)c1 ZINC000423125787 1027421437 /nfs/dbraw/zinc/42/14/37/1027421437.db2.gz AFXQFIONHJWATB-WDEREUQCSA-N 2 0 317.246 3.756 20 0 DHADRP CCSc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423125387 1027421539 /nfs/dbraw/zinc/42/15/39/1027421539.db2.gz HZCZPDWMSSMSRH-FGTMMUONSA-N 2 0 304.503 3.809 20 0 DHADRP c1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2s1 ZINC000423123394 1027422367 /nfs/dbraw/zinc/42/23/67/1027422367.db2.gz MPKINTHQOPTTAG-YESZJQIVSA-N 2 0 300.471 3.912 20 0 DHADRP FC1(F)CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423109066 1027427680 /nfs/dbraw/zinc/42/76/80/1027427680.db2.gz GRJKYASACIUUQY-BZUAXINKSA-N 2 0 300.437 3.712 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000423113368 1027429636 /nfs/dbraw/zinc/42/96/36/1027429636.db2.gz YPGLVSTVTGWNFT-UVBJJODRSA-N 2 0 312.379 3.539 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423149649 1027431144 /nfs/dbraw/zinc/43/11/44/1027431144.db2.gz ASELIRINEWWMCH-XJNRFOTBSA-N 2 0 323.278 3.569 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000423151534 1027432566 /nfs/dbraw/zinc/43/25/66/1027432566.db2.gz COCFHDCDTNROSI-IRXDYDNUSA-N 2 0 320.795 3.592 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423150647 1027432695 /nfs/dbraw/zinc/43/26/95/1027432695.db2.gz BPBCMLKZYWNPAJ-CABCVRRESA-N 2 0 317.260 3.622 20 0 DHADRP Cc1cc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1Cl ZINC000423141684 1027433754 /nfs/dbraw/zinc/43/37/54/1027433754.db2.gz RICBIEBCZXDWAV-DNVCBOLYSA-N 2 0 316.876 3.739 20 0 DHADRP FC(F)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423173136 1027438215 /nfs/dbraw/zinc/43/82/15/1027438215.db2.gz XCGLFSQCBKYREH-KDQUWOQTSA-N 2 0 300.437 3.711 20 0 DHADRP Cc1ccc(Oc2ccccc2CC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423168983 1027438938 /nfs/dbraw/zinc/43/89/38/1027438938.db2.gz IIODPFOPEAVINL-INIZCTEOSA-N 2 0 310.441 3.527 20 0 DHADRP FC(F)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423173137 1027439325 /nfs/dbraw/zinc/43/93/25/1027439325.db2.gz XCGLFSQCBKYREH-MTERUZRBSA-N 2 0 300.437 3.711 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](c2ccccn2)C2CCC2)C1 ZINC000924961537 1027444824 /nfs/dbraw/zinc/44/48/24/1027444824.db2.gz WNJWXKOCTRMZPN-LPHOPBHVSA-N 2 0 301.478 3.633 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423208744 1027445933 /nfs/dbraw/zinc/44/59/33/1027445933.db2.gz DOENYMDHBRBUHE-ZMSDIMECSA-N 2 0 304.503 3.818 20 0 DHADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000423208508 1027446261 /nfs/dbraw/zinc/44/62/61/1027446261.db2.gz YVYKHNQAFQCUCE-IAGOWNOFSA-N 2 0 324.509 3.530 20 0 DHADRP C[NH2+]CCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423209125 1027446404 /nfs/dbraw/zinc/44/64/04/1027446404.db2.gz ZQKYDVKCTPMVIY-LLVKDONJSA-N 2 0 307.438 3.518 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423212913 1027452416 /nfs/dbraw/zinc/45/24/16/1027452416.db2.gz JELYDCHZSHHTEK-VCBZYWHSSA-N 2 0 311.473 3.831 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423201628 1027452964 /nfs/dbraw/zinc/45/29/64/1027452964.db2.gz PFXMUXKDSIDSQK-AWEZNQCLSA-N 2 0 319.449 3.526 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423202548 1027455683 /nfs/dbraw/zinc/45/56/83/1027455683.db2.gz QYVGMIPXLYOPEV-HZPDHXFCSA-N 2 0 304.478 3.829 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423202260 1027456841 /nfs/dbraw/zinc/45/68/41/1027456841.db2.gz QMMBCFKSSXUVEI-GJZGRUSLSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158247120 1027458932 /nfs/dbraw/zinc/45/89/32/1027458932.db2.gz FGLXVDZLHLZTNG-CHWSQXEVSA-N 2 0 314.445 3.994 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423240592 1027459634 /nfs/dbraw/zinc/45/96/34/1027459634.db2.gz CKIRBSFZNZFRQS-DOMZBBRYSA-N 2 0 316.367 3.626 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423221239 1027462090 /nfs/dbraw/zinc/46/20/90/1027462090.db2.gz ZLZPPWRPMRJKOE-MGPUTAFESA-N 2 0 312.457 3.889 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423221238 1027463356 /nfs/dbraw/zinc/46/33/56/1027463356.db2.gz ZLZPPWRPMRJKOE-FOIQADDNSA-N 2 0 312.457 3.889 20 0 DHADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC[C@H](C)[NH3+])CCC3)cc1 ZINC000423227248 1027464544 /nfs/dbraw/zinc/46/45/44/1027464544.db2.gz VBEOAMAGVIBUFW-ZFWWWQNUSA-N 2 0 315.486 3.823 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000423231512 1027464811 /nfs/dbraw/zinc/46/48/11/1027464811.db2.gz LKBKWISDAZGQEY-XUJLQICISA-N 2 0 323.278 3.686 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000423246448 1027471162 /nfs/dbraw/zinc/47/11/62/1027471162.db2.gz KBWOWTWSHFSUAQ-KBPBESRZSA-N 2 0 310.869 3.777 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423252082 1027475731 /nfs/dbraw/zinc/47/57/31/1027475731.db2.gz TVIODQWQYVYBDH-YJBOKZPZSA-N 2 0 302.462 3.613 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423250985 1027476129 /nfs/dbraw/zinc/47/61/29/1027476129.db2.gz RITCQDBXLOAPRD-CHWSQXEVSA-N 2 0 314.445 3.694 20 0 DHADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423250474 1027476251 /nfs/dbraw/zinc/47/62/51/1027476251.db2.gz QHYLGGFKVYNXPS-XJKSGUPXSA-N 2 0 314.395 3.992 20 0 DHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423248662 1027476339 /nfs/dbraw/zinc/47/63/39/1027476339.db2.gz RVXFUAMWROSJSZ-XUVXKRRUSA-N 2 0 309.457 3.544 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000423292429 1027486427 /nfs/dbraw/zinc/48/64/27/1027486427.db2.gz MYJHCFYWGPLKIM-VXGBXAGGSA-N 2 0 303.475 3.884 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000423292426 1027486851 /nfs/dbraw/zinc/48/68/51/1027486851.db2.gz MYJHCFYWGPLKIM-NEPJUHHUSA-N 2 0 303.475 3.884 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423271415 1027490260 /nfs/dbraw/zinc/49/02/60/1027490260.db2.gz HKCYAJKDTXDMRK-RYGJVYDSSA-N 2 0 309.457 3.917 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423275821 1027492524 /nfs/dbraw/zinc/49/25/24/1027492524.db2.gz NOYKVTLWMAUXKZ-NOLJZWGESA-N 2 0 314.395 3.787 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000423274335 1027492618 /nfs/dbraw/zinc/49/26/18/1027492618.db2.gz LZKKSHKRWZYDFC-QWHCGFSZSA-N 2 0 303.475 3.625 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH3+])c1ccc(Br)cc1Cl ZINC000423315516 1027497143 /nfs/dbraw/zinc/49/71/43/1027497143.db2.gz AVEPIXMNTBQKJB-ZDUSSCGKSA-N 2 0 319.674 3.882 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423316372 1027500445 /nfs/dbraw/zinc/50/04/45/1027500445.db2.gz ZZGMHUMXPSLCQM-IUODEOHRSA-N 2 0 308.878 3.870 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423298231 1027502349 /nfs/dbraw/zinc/50/23/49/1027502349.db2.gz NSJSTJPQINPIOO-NEPJUHHUSA-N 2 0 308.372 3.687 20 0 DHADRP COc1cc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)ccc1F ZINC000423293853 1027503291 /nfs/dbraw/zinc/50/32/91/1027503291.db2.gz SFYKVNYJOQTTIJ-STQMWFEESA-N 2 0 302.393 3.705 20 0 DHADRP CCCCCOc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423304848 1027506436 /nfs/dbraw/zinc/50/64/36/1027506436.db2.gz PFKSKKSWOSOXGL-IBGZPJMESA-N 2 0 302.462 3.516 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000423345483 1027506612 /nfs/dbraw/zinc/50/66/12/1027506612.db2.gz ODYAHHPXBZXKLD-GOSISDBHSA-N 2 0 300.446 3.533 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423345949 1027506658 /nfs/dbraw/zinc/50/66/58/1027506658.db2.gz OQPKRPRNKGHHSF-WOJBJXKFSA-N 2 0 314.473 3.619 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423335755 1027513927 /nfs/dbraw/zinc/51/39/27/1027513927.db2.gz UFSRUJLINCJJAR-KRWDZBQOSA-N 2 0 316.489 3.824 20 0 DHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC000423373551 1027517446 /nfs/dbraw/zinc/51/74/46/1027517446.db2.gz HREPXCFJPPCKCX-UZLBHIALSA-N 2 0 307.441 3.501 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423361561 1027519519 /nfs/dbraw/zinc/51/95/19/1027519519.db2.gz XCRJUDGOWUIXKL-FUHWJXTLSA-N 2 0 304.865 3.561 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423356348 1027521520 /nfs/dbraw/zinc/52/15/20/1027521520.db2.gz GPAYZFFUXSWTFM-CABCVRRESA-N 2 0 311.267 3.632 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nccc2ccccc21 ZINC000423366021 1027523193 /nfs/dbraw/zinc/52/31/93/1027523193.db2.gz BLCOEAABPBKPIN-AWEZNQCLSA-N 2 0 303.409 3.689 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423364740 1027523917 /nfs/dbraw/zinc/52/39/17/1027523917.db2.gz BCDJQZMBNZIITP-WWGRRREGSA-N 2 0 315.486 3.910 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423365460 1027524010 /nfs/dbraw/zinc/52/40/10/1027524010.db2.gz BUDOOVHMWXKHDZ-NYESILLDSA-N 2 0 316.489 3.693 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2ccccc2n1 ZINC000423371525 1027524292 /nfs/dbraw/zinc/52/42/92/1027524292.db2.gz GLWIAYCRUJIIJB-AWEZNQCLSA-N 2 0 303.409 3.689 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423366111 1027525146 /nfs/dbraw/zinc/52/51/46/1027525146.db2.gz BNGICSWGNMCNLL-AWEZNQCLSA-N 2 0 312.482 3.733 20 0 DHADRP CCCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423381995 1027528272 /nfs/dbraw/zinc/52/82/72/1027528272.db2.gz DDYYATFTSNIRHI-GJYPPUQNSA-N 2 0 304.478 3.904 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423389285 1027530885 /nfs/dbraw/zinc/53/08/85/1027530885.db2.gz JFTMKWUNGVXBDU-XPGWFJOJSA-N 2 0 312.432 3.697 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)c1 ZINC000423389669 1027531012 /nfs/dbraw/zinc/53/10/12/1027531012.db2.gz ODOIRLIMCYVKBI-ZJOUEHCJSA-N 2 0 324.468 3.839 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc2cc(OC)ccc2c1 ZINC000423391344 1027531334 /nfs/dbraw/zinc/53/13/34/1027531334.db2.gz KWUILEVVYZOHNS-VOBQZIQPSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1Cl ZINC000423393120 1027534498 /nfs/dbraw/zinc/53/44/98/1027534498.db2.gz QJSYKLXZYPLQJQ-NSHDSACASA-N 2 0 304.796 3.933 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000423395052 1027535235 /nfs/dbraw/zinc/53/52/35/1027535235.db2.gz NCAJEHJNOSCMNC-HEHGZKQESA-N 2 0 310.869 3.776 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000423406868 1027536640 /nfs/dbraw/zinc/53/66/40/1027536640.db2.gz VFGAIJWGKMACLW-TUKIKUTGSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423421809 1027536872 /nfs/dbraw/zinc/53/68/72/1027536872.db2.gz KMOQREYBMCLWAR-KKUMJFAQSA-N 2 0 310.432 3.641 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423422720 1027537030 /nfs/dbraw/zinc/53/70/30/1027537030.db2.gz DIQXWIWXVJNOOU-IAQYHMDHSA-N 2 0 316.367 3.680 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423450269 1027546918 /nfs/dbraw/zinc/54/69/18/1027546918.db2.gz XCUWUGCXDPISTF-ZOCIIQOWSA-N 2 0 302.462 3.513 20 0 DHADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423451238 1027547069 /nfs/dbraw/zinc/54/70/69/1027547069.db2.gz IGBWPAXTPWJYGU-RISCZKNCSA-N 2 0 304.356 3.753 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423434504 1027550875 /nfs/dbraw/zinc/55/08/75/1027550875.db2.gz NZNUGWFGVGHYGP-QHGAOEGBSA-N 3 0 317.521 3.537 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)s1 ZINC000423457921 1027552119 /nfs/dbraw/zinc/55/21/19/1027552119.db2.gz JCWWXDARVQVJBE-GARJFASQSA-N 2 0 317.296 3.679 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423436967 1027552176 /nfs/dbraw/zinc/55/21/76/1027552176.db2.gz MDSXMCIEUKKTDM-BGNCJLHMSA-N 2 0 324.921 3.871 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)C[C@H](C)O1 ZINC000562656689 1027555340 /nfs/dbraw/zinc/55/53/40/1027555340.db2.gz GKFMDEWDZUYAAY-UKBAYJJMSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@H](C)CCC[NH3+])c2cccc(F)c2)c1 ZINC000423461717 1027555601 /nfs/dbraw/zinc/55/56/01/1027555601.db2.gz SZNXFSACOXRNCD-BEFAXECRSA-N 2 0 300.421 3.941 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000423461875 1027555970 /nfs/dbraw/zinc/55/59/70/1027555970.db2.gz OMQGIHQZGVKONK-ZOWXZIJZSA-N 2 0 311.267 3.617 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423475886 1027560816 /nfs/dbraw/zinc/56/08/16/1027560816.db2.gz IEVWHNOKYUYEAI-FUHWJXTLSA-N 2 0 306.881 3.783 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000423477745 1027560903 /nfs/dbraw/zinc/56/09/03/1027560903.db2.gz KIBWLNZCONTWRQ-CHWSQXEVSA-N 2 0 311.267 3.632 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000423477747 1027561839 /nfs/dbraw/zinc/56/18/39/1027561839.db2.gz KIBWLNZCONTWRQ-QWHCGFSZSA-N 2 0 311.267 3.632 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000423453544 1027563391 /nfs/dbraw/zinc/56/33/91/1027563391.db2.gz ANXHTCBBOONOMU-ZOBUZTSGSA-N 2 0 320.477 3.652 20 0 DHADRP CCc1ccccc1[C@H](N)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423505249 1027568223 /nfs/dbraw/zinc/56/82/23/1027568223.db2.gz OEMAYADGGNQQBE-OXJNMPFZSA-N 2 0 311.473 3.645 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1(C)C ZINC000423504347 1027568746 /nfs/dbraw/zinc/56/87/46/1027568746.db2.gz GWFSEPZKPULUHJ-FGTMMUONSA-N 2 0 304.478 3.648 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000423485642 1027570399 /nfs/dbraw/zinc/57/03/99/1027570399.db2.gz VKEQPKKPTSSMRM-UWJYYQICSA-N 2 0 323.484 3.577 20 0 DHADRP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423490674 1027571022 /nfs/dbraw/zinc/57/10/22/1027571022.db2.gz XYBMMVUFKAYQLH-UKRRQHHQSA-N 2 0 312.404 3.861 20 0 DHADRP Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000576166533 1027575084 /nfs/dbraw/zinc/57/50/84/1027575084.db2.gz RTFMUZITZMUJFD-FQEVSTJZSA-N 2 0 310.416 3.809 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CC[C@H](C[NH3+])C3)cs2)cs1 ZINC000423495696 1027575073 /nfs/dbraw/zinc/57/50/73/1027575073.db2.gz UZOZKOYHKCIOGS-JKOKRWQUSA-N 2 0 321.515 3.958 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539869 1027584207 /nfs/dbraw/zinc/58/42/07/1027584207.db2.gz PMNOGWZWTFLEGH-ZDUSSCGKSA-N 2 0 312.379 3.536 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423537343 1027584520 /nfs/dbraw/zinc/58/45/20/1027584520.db2.gz JXALACGHTGVORA-UONOGXRCSA-N 2 0 315.486 3.688 20 0 DHADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423554596 1027585834 /nfs/dbraw/zinc/58/58/34/1027585834.db2.gz WXVRUEPEPRBACO-FCMAGTKHSA-N 2 0 312.501 3.766 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423544196 1027586968 /nfs/dbraw/zinc/58/69/68/1027586968.db2.gz WBNVUDRUWGTZOJ-NRFANRHFSA-N 2 0 306.453 3.984 20 0 DHADRP COc1cc2c(N[C@@H](C)C[N@H+](C)C(C)C)cc[nH+]c2cc1F ZINC000576273858 1027595700 /nfs/dbraw/zinc/59/57/00/1027595700.db2.gz ITOHQOIGJHHRLL-LBPRGKRZSA-N 2 0 305.397 3.523 20 0 DHADRP CCc1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924965098 1027603663 /nfs/dbraw/zinc/60/36/63/1027603663.db2.gz VUFFHVQBOLBQML-OAQYLSRUSA-N 2 0 323.484 3.665 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000576495006 1027623214 /nfs/dbraw/zinc/62/32/14/1027623214.db2.gz HVWGPEATARKVFD-OALUTQOASA-N 2 0 316.489 3.554 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2c1C ZINC000577131655 1027713914 /nfs/dbraw/zinc/71/39/14/1027713914.db2.gz WEAFVCDCVBTHID-YVWKXTFCSA-N 2 0 311.473 3.747 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000577213383 1027728060 /nfs/dbraw/zinc/72/80/60/1027728060.db2.gz CGSSARQULPTPQI-KRWDZBQOSA-N 2 0 322.880 3.875 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(Cl)c2Cl)C1 ZINC000577305270 1027745490 /nfs/dbraw/zinc/74/54/90/1027745490.db2.gz GJBHJVWAPSMSBM-IUODEOHRSA-N 2 0 313.272 3.910 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000813882789 1027751181 /nfs/dbraw/zinc/75/11/81/1027751181.db2.gz KOIBYRSEJCTYSY-AYHJJNSGSA-N 2 0 300.490 3.796 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094502 1027757324 /nfs/dbraw/zinc/75/73/24/1027757324.db2.gz UXKLGBXVQQCXKX-OWYHZJEWSA-N 2 0 308.510 3.706 20 0 DHADRP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000364323139 1027808384 /nfs/dbraw/zinc/80/83/84/1027808384.db2.gz IHZJSECXVQAGLD-UKRRQHHQSA-N 2 0 307.507 3.530 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527681192 1027842023 /nfs/dbraw/zinc/84/20/23/1027842023.db2.gz IKILSLYSQGHDCY-UHFFFAOYSA-N 2 0 316.823 3.828 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527858881 1027923386 /nfs/dbraw/zinc/92/33/86/1027923386.db2.gz MXKJQZXKCBQDSE-HXUWFJFHSA-N 2 0 318.505 3.783 20 0 DHADRP CC1=C[C@@H](C)C[C@H](C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000365621271 1027987638 /nfs/dbraw/zinc/98/76/38/1027987638.db2.gz UFPFRTJDQHYUDS-AEFFLSMTSA-N 2 0 320.521 3.554 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527981510 1028002996 /nfs/dbraw/zinc/00/29/96/1028002996.db2.gz KFBNTHWMJFQFIW-QWFCFKBJSA-N 2 0 313.489 3.628 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CC=CCC4)CC3)C[C@@H]21 ZINC001170739089 1028005142 /nfs/dbraw/zinc/00/51/42/1028005142.db2.gz NWXBJDXNIJHLIL-OWYHZJEWSA-N 2 0 302.506 3.831 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cc2)cc1 ZINC000563351276 1028010043 /nfs/dbraw/zinc/01/00/43/1028010043.db2.gz YCQJDWUEGBWWIX-FXAWDEMLSA-N 2 0 324.468 3.886 20 0 DHADRP CC(C)c1nccn1[C@H]1CCC[N@H+](CCCC2CCOCC2)C1 ZINC000366735277 1028106218 /nfs/dbraw/zinc/10/62/18/1028106218.db2.gz MJWSYOUKQYOOKI-SFHVURJKSA-N 2 0 319.493 3.850 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367050710 1028126420 /nfs/dbraw/zinc/12/64/20/1028126420.db2.gz RRJGJPWFJKLPRY-ICSRJNTNSA-N 2 0 315.505 3.819 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000578362657 1028130203 /nfs/dbraw/zinc/13/02/03/1028130203.db2.gz XHZVFBIALGVLJM-GOSISDBHSA-N 2 0 312.542 3.928 20 0 DHADRP CC(C)C1CCC(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000578557027 1028180984 /nfs/dbraw/zinc/18/09/84/1028180984.db2.gz AJKOXCOXGVOWQK-WFAGLZIHSA-N 2 0 322.537 3.632 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)C[C@@H]21 ZINC001170765890 1028217755 /nfs/dbraw/zinc/21/77/55/1028217755.db2.gz YDSAIVNSKXQHGU-XNTOXWQXSA-N 2 0 324.512 3.875 20 0 DHADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000367686225 1028224440 /nfs/dbraw/zinc/22/44/40/1028224440.db2.gz LVBNMYLACUJARA-MRXNPFEDSA-N 2 0 321.534 3.505 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000578771027 1028235505 /nfs/dbraw/zinc/23/55/05/1028235505.db2.gz FCZXPGGZAGVVOU-IBGZPJMESA-N 2 0 305.425 3.794 20 0 DHADRP COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc2ccccc21 ZINC000449030905 1028272065 /nfs/dbraw/zinc/27/20/65/1028272065.db2.gz SUWQVBCGJYRQAH-QAPCUYQASA-N 2 0 312.457 3.763 20 0 DHADRP COc1cccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cccc12 ZINC000449044366 1028307891 /nfs/dbraw/zinc/30/78/91/1028307891.db2.gz DIZQBJPHACDUNV-YLJYHZDGSA-N 2 0 324.468 3.765 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1=CC[N@H+](C)CC1 ZINC000564147690 1028323583 /nfs/dbraw/zinc/32/35/83/1028323583.db2.gz JSMCSDQMZUGWLT-LJQANCHMSA-N 2 0 309.457 3.705 20 0 DHADRP CC[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)N1CCCC1 ZINC000449071911 1028333815 /nfs/dbraw/zinc/33/38/15/1028333815.db2.gz CKRSXJXJHUEUEE-TVRKMHQQSA-N 2 0 308.510 3.721 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000449079816 1028344422 /nfs/dbraw/zinc/34/44/22/1028344422.db2.gz QDXDGWCDHRWCJD-VQTJNVASSA-N 2 0 323.569 3.599 20 0 DHADRP COCC1CCC([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000449081059 1028345499 /nfs/dbraw/zinc/34/54/99/1028345499.db2.gz BJVIZIDUZRPCFM-YYZRRKBYSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000449100964 1028350176 /nfs/dbraw/zinc/35/01/76/1028350176.db2.gz XXMHTBIMZZVYDQ-QGZVFWFLSA-N 2 0 312.457 3.712 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc3cccnc3o2)c1 ZINC000449102633 1028354032 /nfs/dbraw/zinc/35/40/32/1028354032.db2.gz ZXQGGXSPFFQBOT-UHFFFAOYSA-N 2 0 323.440 3.958 20 0 DHADRP Cc1cccc(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000579226619 1028354182 /nfs/dbraw/zinc/35/41/82/1028354182.db2.gz WBPBWXBSEQVRNB-UHFFFAOYSA-N 2 0 315.505 3.521 20 0 DHADRP C[NH+](C)[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449094252 1028366521 /nfs/dbraw/zinc/36/65/21/1028366521.db2.gz YLMJQEMSGGOIJN-GOSISDBHSA-N 2 0 323.569 3.595 20 0 DHADRP C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2(C1)CCOCC2 ZINC000368524482 1028366770 /nfs/dbraw/zinc/36/67/70/1028366770.db2.gz BDKOEWJNEWFRKH-IBGZPJMESA-N 2 0 320.521 3.722 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000449120116 1028372372 /nfs/dbraw/zinc/37/23/72/1028372372.db2.gz BQZMDJCRBWTSGI-WOJBJXKFSA-N 2 0 312.501 3.863 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]CCC1CC[NH+](C)CC1 ZINC000449131640 1028387786 /nfs/dbraw/zinc/38/77/86/1028387786.db2.gz OMPBMKICXOLSQG-OAHLLOKOSA-N 2 0 300.446 3.685 20 0 DHADRP CC(C)[N@H+](C)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449110716 1028392842 /nfs/dbraw/zinc/39/28/42/1028392842.db2.gz GFRCQFMCLMIPED-UHFFFAOYSA-N 2 0 311.558 3.595 20 0 DHADRP CSCCCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449153935 1028406524 /nfs/dbraw/zinc/40/65/24/1028406524.db2.gz GLGTUCGFYNGTDX-KRWDZBQOSA-N 2 0 320.546 3.815 20 0 DHADRP COCC1CCC([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000449172721 1028414778 /nfs/dbraw/zinc/41/47/78/1028414778.db2.gz CXXKSBMOUWHJPR-QHGAOEGBSA-N 2 0 318.505 3.692 20 0 DHADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000369112486 1028445103 /nfs/dbraw/zinc/44/51/03/1028445103.db2.gz LYWSLUYYSYEAOK-YLJYHZDGSA-N 2 0 313.489 3.572 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000449214318 1028447809 /nfs/dbraw/zinc/44/78/09/1028447809.db2.gz YECJZXXQCDWHDE-ZWKOTPCHSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449217210 1028459779 /nfs/dbraw/zinc/45/97/79/1028459779.db2.gz XRCIHZQNULRTAY-NVXWUHKLSA-N 2 0 310.526 3.823 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000579662686 1028463038 /nfs/dbraw/zinc/46/30/38/1028463038.db2.gz WCFKSMYQTVFTJU-SFHVURJKSA-N 2 0 302.462 3.530 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449252362 1028475226 /nfs/dbraw/zinc/47/52/26/1028475226.db2.gz QLTICLVXKRAIFR-PKOBYXMFSA-N 2 0 318.892 3.903 20 0 DHADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000449250046 1028475981 /nfs/dbraw/zinc/47/59/81/1028475981.db2.gz KRHXTBUROKGDIA-MDZRGWNJSA-N 2 0 301.478 3.712 20 0 DHADRP c1coc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4ccco4)C3)C2)c1 ZINC000369592535 1028507664 /nfs/dbraw/zinc/50/76/64/1028507664.db2.gz RPLJLGUBXKKJNL-CALCHBBNSA-N 2 0 314.429 3.542 20 0 DHADRP C[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449288728 1028509753 /nfs/dbraw/zinc/50/97/53/1028509753.db2.gz ZTTSWHHWHWWNTL-NVXWUHKLSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564987104 1028524550 /nfs/dbraw/zinc/52/45/50/1028524550.db2.gz PDBONBSXVDBMGA-BBRMVZONSA-N 2 0 312.379 3.842 20 0 DHADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000369854750 1028537684 /nfs/dbraw/zinc/53/76/84/1028537684.db2.gz ZVWBRAZLDHFANZ-GMBSWORKSA-N 2 0 313.420 3.564 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000565131729 1028546290 /nfs/dbraw/zinc/54/62/90/1028546290.db2.gz DXTKPLDWYLVLIR-CDHQVMDDSA-N 2 0 316.489 3.651 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000565157375 1028547531 /nfs/dbraw/zinc/54/75/31/1028547531.db2.gz RBLPWCCHSMZDSN-IUODEOHRSA-N 2 0 304.434 3.866 20 0 DHADRP c1ccc2c(c1)nccc2C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000565164706 1028551632 /nfs/dbraw/zinc/55/16/32/1028551632.db2.gz OXLODFCPZADTTC-UHFFFAOYSA-N 2 0 323.484 3.900 20 0 DHADRP Cn1cncc1CCC[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000565175650 1028552586 /nfs/dbraw/zinc/55/25/86/1028552586.db2.gz WEUFZFQLEIGUOP-FQEVSTJZSA-N 2 0 311.473 3.797 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000449348748 1028562630 /nfs/dbraw/zinc/56/26/30/1028562630.db2.gz VHBGNJSVOOSJAC-AEFFLSMTSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000389620528 1028595851 /nfs/dbraw/zinc/59/58/51/1028595851.db2.gz HVTSZVOPTMNHJS-RBUKOAKNSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000449400410 1028617694 /nfs/dbraw/zinc/61/76/94/1028617694.db2.gz BLQIIRURDFXAKR-FXAWDEMLSA-N 2 0 309.457 3.533 20 0 DHADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000370724200 1028643302 /nfs/dbraw/zinc/64/33/02/1028643302.db2.gz XIWXCISOTSFEHT-WNHJNPCNSA-N 2 0 303.494 3.879 20 0 DHADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000566004111 1028665682 /nfs/dbraw/zinc/66/56/82/1028665682.db2.gz RNFLGGWNJVBOKC-LSDHHAIUSA-N 2 0 315.486 3.718 20 0 DHADRP Cc1ncsc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449467214 1028685694 /nfs/dbraw/zinc/68/56/94/1028685694.db2.gz KYYGLUNJDYGMCA-YOEHRIQHSA-N 2 0 321.534 3.627 20 0 DHADRP c1cc2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)ccc2[nH]1 ZINC000566475203 1028729336 /nfs/dbraw/zinc/72/93/36/1028729336.db2.gz LGMPURMOUWXEJR-UHFFFAOYSA-N 2 0 311.473 3.912 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000566823709 1028786578 /nfs/dbraw/zinc/78/65/78/1028786578.db2.gz LWQSCIYQJLTWKM-PXNSSMCTSA-N 2 0 300.490 3.529 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)CCc1ccc(C(C)(C)C)cc1 ZINC000566887134 1028796402 /nfs/dbraw/zinc/79/64/02/1028796402.db2.gz KXCIVZIJHLABDT-VQIMIIECSA-N 2 0 302.506 3.799 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000372054620 1028801033 /nfs/dbraw/zinc/80/10/33/1028801033.db2.gz ARYOPVGKLOAEIK-HIFRSBDPSA-N 2 0 306.416 3.962 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)c1 ZINC000449621059 1028853019 /nfs/dbraw/zinc/85/30/19/1028853019.db2.gz YLFKHUZJFQTNAZ-SAABIXHNSA-N 2 0 316.489 3.794 20 0 DHADRP CN1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000449653275 1028889644 /nfs/dbraw/zinc/88/96/44/1028889644.db2.gz RSEAZTQLZXBYQR-SFHVURJKSA-N 2 0 315.505 3.810 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000567549088 1028917733 /nfs/dbraw/zinc/91/77/33/1028917733.db2.gz BNJZMBWPFXLDOU-NLWGTHIKSA-N 2 0 317.521 3.532 20 0 DHADRP C[C@@]1(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCCS1 ZINC000628210049 1028941486 /nfs/dbraw/zinc/94/14/86/1028941486.db2.gz FGWYOAXHLBLFLP-KRWDZBQOSA-N 2 0 324.559 3.835 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628208501 1028941855 /nfs/dbraw/zinc/94/18/55/1028941855.db2.gz PODLTQTZTAXHPS-OAHLLOKOSA-N 2 0 314.395 3.569 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000449739630 1028960148 /nfs/dbraw/zinc/96/01/48/1028960148.db2.gz BHMPJNVZRSDPQL-IEBWSBKVSA-N 2 0 322.537 3.826 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000449739631 1028960617 /nfs/dbraw/zinc/96/06/17/1028960617.db2.gz BHMPJNVZRSDPQL-MJGOQNOKSA-N 2 0 322.537 3.826 20 0 DHADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)co1 ZINC000816619525 1028963977 /nfs/dbraw/zinc/96/39/77/1028963977.db2.gz KTABWTOTNAHLPM-UHFFFAOYSA-N 2 0 310.441 3.768 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000449784191 1028996924 /nfs/dbraw/zinc/99/69/24/1028996924.db2.gz VVSABXCXBFLPOI-UHFFFAOYSA-N 2 0 312.461 3.975 20 0 DHADRP C[C@H]1C[C@H](n2cnc3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628371724 1029019269 /nfs/dbraw/zinc/01/92/69/1029019269.db2.gz ZRIRJUCBKKAMPN-FUHWJXTLSA-N 2 0 309.457 3.988 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C12CCCCC2 ZINC000568544258 1029089186 /nfs/dbraw/zinc/08/91/86/1029089186.db2.gz ZKDIUHMUAFYOFH-FOIPXRHGSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000373696627 1029116922 /nfs/dbraw/zinc/11/69/22/1029116922.db2.gz MKFGVNOBYXDJGT-YSTOQKLRSA-N 2 0 322.537 3.826 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@@H]2CCN(C)[C@@H]2c2cccs2)CCC1 ZINC000373780354 1029134089 /nfs/dbraw/zinc/13/40/89/1029134089.db2.gz LWJDOOGMOLBLAF-ZOBUZTSGSA-N 2 0 322.518 3.678 20 0 DHADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817887959 1029263146 /nfs/dbraw/zinc/26/31/46/1029263146.db2.gz HPQBQMFWCXLLAF-VAMGGRTRSA-N 2 0 316.489 3.874 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000569793897 1029267891 /nfs/dbraw/zinc/26/78/91/1029267891.db2.gz GNGRJFAVOOCWOQ-UHFFFAOYSA-N 2 0 318.509 3.550 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000817901788 1029271706 /nfs/dbraw/zinc/27/17/06/1029271706.db2.gz YTYQLSWZGZXGDS-ZGIUJUBFSA-N 3 0 313.489 3.518 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)c2ccccc21 ZINC000817922233 1029275902 /nfs/dbraw/zinc/27/59/02/1029275902.db2.gz BVTXCMDCIHFQRW-DTTSREJYSA-N 2 0 322.452 3.551 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000817921830 1029277216 /nfs/dbraw/zinc/27/72/16/1029277216.db2.gz IVVATMRZFGBIRR-BPLDGKMQSA-N 2 0 307.507 3.729 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926595 1029277719 /nfs/dbraw/zinc/27/77/19/1029277719.db2.gz OMPFSBRBLCPOEM-TVYUQYBPSA-N 2 0 315.244 3.534 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)[C@@H](C)C1 ZINC000569874213 1029280024 /nfs/dbraw/zinc/28/00/24/1029280024.db2.gz VQURVHNHWRFEHI-BZSNNMDCSA-N 2 0 312.542 3.928 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947577 1029288129 /nfs/dbraw/zinc/28/81/29/1029288129.db2.gz BEPANOXZVSAHDP-OAHLLOKOSA-N 2 0 308.425 3.655 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817945381 1029288238 /nfs/dbraw/zinc/28/82/38/1029288238.db2.gz ANMQEECTNVHTPF-VXGBXAGGSA-N 2 0 300.418 3.652 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1F ZINC000817948976 1029290887 /nfs/dbraw/zinc/29/08/87/1029290887.db2.gz MUHOUIHOAJSWTB-ZDUSSCGKSA-N 2 0 318.461 3.900 20 0 DHADRP COc1ccc([C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C(C)C)cc1 ZINC000817948898 1029290932 /nfs/dbraw/zinc/29/09/32/1029290932.db2.gz MELCERTZNFBBJV-HXUWFJFHSA-N 2 0 312.457 3.683 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949232 1029292023 /nfs/dbraw/zinc/29/20/23/1029292023.db2.gz OMIYCHBGUSQBJV-VLIAUNLRSA-N 2 0 312.432 3.740 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(Cl)c(F)c1 ZINC000817947315 1029292088 /nfs/dbraw/zinc/29/20/88/1029292088.db2.gz BXHHYULTPLWLOJ-LBPRGKRZSA-N 2 0 306.812 3.831 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817954370 1029294041 /nfs/dbraw/zinc/29/40/41/1029294041.db2.gz CDWJWKNRDGEUSN-RYUDHWBXSA-N 2 0 300.418 3.652 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817950255 1029294376 /nfs/dbraw/zinc/29/43/76/1029294376.db2.gz XEHJKJSXXFCKIM-CQSZACIVSA-N 2 0 300.471 3.761 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1OC(F)F ZINC000570045568 1029304575 /nfs/dbraw/zinc/30/45/75/1029304575.db2.gz GMIWLUHUPCZLML-MRXNPFEDSA-N 2 0 320.383 3.988 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000817965964 1029308482 /nfs/dbraw/zinc/30/84/82/1029308482.db2.gz FOTOIFWITOOTGJ-CXAGYDPISA-N 2 0 310.869 3.697 20 0 DHADRP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC000817979742 1029318093 /nfs/dbraw/zinc/31/80/93/1029318093.db2.gz DRZMBLDEZBPUSG-ZWKOTPCHSA-N 2 0 302.462 3.585 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000817985107 1029322784 /nfs/dbraw/zinc/32/27/84/1029322784.db2.gz AHYNAGCZLKVDCE-LQKXBSAESA-N 2 0 322.880 3.696 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000817987202 1029324569 /nfs/dbraw/zinc/32/45/69/1029324569.db2.gz XWIUAWUBKQTEBJ-UKRRQHHQSA-N 2 0 322.880 3.982 20 0 DHADRP CC(C)[NH+]1CCC(N(C)C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000570201479 1029330054 /nfs/dbraw/zinc/33/00/54/1029330054.db2.gz XMLVKXPHHHNQKJ-PLNGDYQASA-N 2 0 308.416 3.783 20 0 DHADRP CC(C)[NH+]1CCC(N(C)C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000570201480 1029331142 /nfs/dbraw/zinc/33/11/42/1029331142.db2.gz XMLVKXPHHHNQKJ-SNAWJCMRSA-N 2 0 308.416 3.783 20 0 DHADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(SC2CCCC2)cc1 ZINC000629528903 1029359216 /nfs/dbraw/zinc/35/92/16/1029359216.db2.gz MQTPWBSSWYXZHZ-OAHLLOKOSA-N 2 0 322.518 3.608 20 0 DHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000629533078 1029360320 /nfs/dbraw/zinc/36/03/20/1029360320.db2.gz GRYSIGOTCSWZSX-FQEVSTJZSA-N 2 0 315.505 3.731 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000629536124 1029360882 /nfs/dbraw/zinc/36/08/82/1029360882.db2.gz FBVNRKRTEFBFND-MRXNPFEDSA-N 2 0 315.505 3.731 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000629534222 1029361878 /nfs/dbraw/zinc/36/18/78/1029361878.db2.gz QKHNHNPYARJGEL-FXAWDEMLSA-N 2 0 309.457 3.507 20 0 DHADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000629541973 1029363525 /nfs/dbraw/zinc/36/35/25/1029363525.db2.gz VPEJMDKQIFUVKF-HNNXBMFYSA-N 2 0 322.518 3.737 20 0 DHADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629560629 1029367413 /nfs/dbraw/zinc/36/74/13/1029367413.db2.gz GDILDSXFBGIVPV-BMFZPTHFSA-N 2 0 312.379 3.523 20 0 DHADRP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564906 1029371457 /nfs/dbraw/zinc/37/14/57/1029371457.db2.gz VRGYGFZSRFERNO-CFVMTHIKSA-N 2 0 300.368 3.515 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC001170903175 1029379726 /nfs/dbraw/zinc/37/97/26/1029379726.db2.gz TZEJMLXJDMRPHQ-INIZCTEOSA-N 2 0 306.881 3.663 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)[C@H](C)C1 ZINC001170913655 1029423505 /nfs/dbraw/zinc/42/35/05/1029423505.db2.gz HKGRJOQGRIBGIZ-ALKREAHSSA-N 2 0 320.908 3.906 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccsc2C(F)(F)F)C1 ZINC000529569285 1029428382 /nfs/dbraw/zinc/42/83/82/1029428382.db2.gz NPJIKTOBBQTTQU-WCQYABFASA-N 2 0 318.408 3.683 20 0 DHADRP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000450419978 1029465220 /nfs/dbraw/zinc/46/52/20/1029465220.db2.gz BHEMFZXLCDNPPH-HOTGVXAUSA-N 2 0 300.437 3.762 20 0 DHADRP C1CC1[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCOCC1 ZINC000925228446 1029478479 /nfs/dbraw/zinc/47/84/79/1029478479.db2.gz HMQVNMTXVBZRJW-SOAGJPPSSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1Cl ZINC000450468035 1029499416 /nfs/dbraw/zinc/49/94/16/1029499416.db2.gz FODAQVKQCCLFCB-HNNXBMFYSA-N 2 0 303.837 3.818 20 0 DHADRP C[N@H+](C[C@@H]1CCC(F)(F)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450637661 1029592082 /nfs/dbraw/zinc/59/20/82/1029592082.db2.gz HOEWKPSRUPYUKU-MRXNPFEDSA-N 2 0 323.431 3.665 20 0 DHADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925230172 1029630085 /nfs/dbraw/zinc/63/00/85/1029630085.db2.gz UCUGJIJPSHHYMC-OFLPRAFFSA-N 2 0 317.477 3.747 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1([NH3+])CCCC1 ZINC001246077128 1029724445 /nfs/dbraw/zinc/72/44/45/1029724445.db2.gz TXZHDALFGCUMPF-NSHDSACASA-N 2 0 301.261 3.786 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820806584 1029767640 /nfs/dbraw/zinc/76/76/40/1029767640.db2.gz LPMLMLBLVUPBOR-KRWDZBQOSA-N 2 0 317.521 3.519 20 0 DHADRP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811367 1029769817 /nfs/dbraw/zinc/76/98/17/1029769817.db2.gz PJGGRQYFGXBUFB-QFBILLFUSA-N 2 0 306.494 3.586 20 0 DHADRP COc1cccc([C@@H]2C[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)CC2(C)C)c1 ZINC000530245355 1029789712 /nfs/dbraw/zinc/78/97/12/1029789712.db2.gz WOBPMQJIPDHVCB-GJYPPUQNSA-N 2 0 316.489 3.509 20 0 DHADRP Fc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC001170960342 1029821290 /nfs/dbraw/zinc/82/12/90/1029821290.db2.gz CUFYMAMETCLBNP-QGZVFWFLSA-N 2 0 316.464 3.680 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCN(C)CC1 ZINC000121796822 1029840526 /nfs/dbraw/zinc/84/05/26/1029840526.db2.gz PSQJPZVSDOWGHS-MRXNPFEDSA-N 2 0 308.853 3.546 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170976487 1029944480 /nfs/dbraw/zinc/94/44/80/1029944480.db2.gz VKOCLUIFLQKNIB-LXPRWKDFSA-N 2 0 318.480 3.926 20 0 DHADRP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3F)CC2)cc1 ZINC000865697177 1029978272 /nfs/dbraw/zinc/97/82/72/1029978272.db2.gz UOMXORGGOWOBCJ-RBUKOAKNSA-N 2 0 319.468 3.592 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000865717286 1029985467 /nfs/dbraw/zinc/98/54/67/1029985467.db2.gz WBANLIFWBNDOCB-UHFFFAOYSA-N 2 0 307.507 3.621 20 0 DHADRP c1nc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000865718314 1029986078 /nfs/dbraw/zinc/98/60/78/1029986078.db2.gz YCPUYZARIADABU-UHFFFAOYSA-N 2 0 315.486 3.535 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000290320880 1029995105 /nfs/dbraw/zinc/99/51/05/1029995105.db2.gz OFYLVZVMVPKTPR-FQEVSTJZSA-N 2 0 318.505 3.554 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000475672341 1030008933 /nfs/dbraw/zinc/00/89/33/1030008933.db2.gz SEINYFXRZDKMLX-IKICRFKJSA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000865765471 1030013710 /nfs/dbraw/zinc/01/37/10/1030013710.db2.gz WIFOSGWCUIVSSJ-UHFFFAOYSA-N 2 0 315.436 3.726 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2cccs2)(c2ccccc2)CC1 ZINC000865774086 1030016624 /nfs/dbraw/zinc/01/66/24/1030016624.db2.gz OVQAAORUVVMFKH-UHFFFAOYSA-N 2 0 300.471 3.501 20 0 DHADRP Cc1nccn1CCC[N@@H+](C)Cc1cc(C)ccc1OC(F)F ZINC000290370436 1030018618 /nfs/dbraw/zinc/01/86/18/1030018618.db2.gz HJZLLYLQELKGFO-UHFFFAOYSA-N 2 0 323.387 3.623 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)[C@H](C)C1 ZINC000557274416 1030077016 /nfs/dbraw/zinc/07/70/16/1030077016.db2.gz VFFMOSAUQLIAHR-MSOLQXFVSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000290563598 1030106487 /nfs/dbraw/zinc/10/64/87/1030106487.db2.gz SMIIALWQJRMGBP-OXJNMPFZSA-N 2 0 309.457 3.521 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924529264 1030116444 /nfs/dbraw/zinc/11/64/44/1030116444.db2.gz UJOSKAHBOJFCKI-JKSUJKDBSA-N 2 0 306.498 3.769 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccnn1C1CCC1 ZINC000924606356 1030136417 /nfs/dbraw/zinc/13/64/17/1030136417.db2.gz KUFQBMSVDUEBNH-HNNXBMFYSA-N 2 0 312.461 3.521 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cnn(C2CCC2)c1 ZINC000924605218 1030136817 /nfs/dbraw/zinc/13/68/17/1030136817.db2.gz DRZCKDYKVBUCMT-HNNXBMFYSA-N 2 0 312.461 3.521 20 0 DHADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000866233966 1030171271 /nfs/dbraw/zinc/17/12/71/1030171271.db2.gz IGLFDTPKXFHDKH-IBGZPJMESA-N 2 0 303.494 3.880 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccns1 ZINC000924777128 1030184988 /nfs/dbraw/zinc/18/49/88/1030184988.db2.gz BIPPPZJTJJPVIW-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866259514 1030185831 /nfs/dbraw/zinc/18/58/31/1030185831.db2.gz BXZIDZKXGVPHAL-LBPRGKRZSA-N 2 0 321.852 3.864 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000866265410 1030188211 /nfs/dbraw/zinc/18/82/11/1030188211.db2.gz KXMZKPXCRGWOQA-SFHVURJKSA-N 2 0 303.494 3.649 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC001246224383 1030202308 /nfs/dbraw/zinc/20/23/08/1030202308.db2.gz GEWYXPKBNGBEAC-NSHDSACASA-N 2 0 306.759 3.591 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000924855428 1030208062 /nfs/dbraw/zinc/20/80/62/1030208062.db2.gz JQOYOLKZKRAGTL-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000420344153 1030209701 /nfs/dbraw/zinc/20/97/01/1030209701.db2.gz SFWXHKCNRDFWJE-IYBDPMFKSA-N 2 0 322.880 3.559 20 0 DHADRP Cc1cc(C)cc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2cccnc2)c1 ZINC000924964186 1030236632 /nfs/dbraw/zinc/23/66/32/1030236632.db2.gz OZSJNQGJRAUWQW-OAQYLSRUSA-N 2 0 323.484 3.719 20 0 DHADRP Cc1ccc(SCC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000533310851 1030255408 /nfs/dbraw/zinc/25/54/08/1030255408.db2.gz CNOUCODYTCHAIJ-DLBZAZTESA-N 2 0 306.519 3.810 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000557713213 1030257189 /nfs/dbraw/zinc/25/71/89/1030257189.db2.gz FAIPBUTWOFUMRC-SJPCQFCGSA-N 2 0 309.457 3.913 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866372401 1030262202 /nfs/dbraw/zinc/26/22/02/1030262202.db2.gz FVDLYFZXLKXXDV-QWHCGFSZSA-N 2 0 321.852 3.864 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000866381143 1030267267 /nfs/dbraw/zinc/26/72/67/1030267267.db2.gz IBQDUONKTGWLAM-DYXWJJEUSA-N 2 0 323.484 3.714 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866385761 1030271221 /nfs/dbraw/zinc/27/12/21/1030271221.db2.gz ZJFMUPKANJXUDW-SVFBPWRDSA-N 2 0 323.484 3.685 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000358017568 1030281205 /nfs/dbraw/zinc/28/12/05/1030281205.db2.gz HNDRBCZMZNRDDH-ZACQAIPSSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCS1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866480139 1030316727 /nfs/dbraw/zinc/31/67/27/1030316727.db2.gz FNYAPGANZHWKAS-YTQUADARSA-N 2 0 318.530 3.772 20 0 DHADRP FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000823596406 1030337589 /nfs/dbraw/zinc/33/75/89/1030337589.db2.gz MVHMNWNSLBTTHZ-MRXNPFEDSA-N 2 0 312.379 3.842 20 0 DHADRP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccnn1C1CCC1 ZINC000925309143 1030340497 /nfs/dbraw/zinc/34/04/97/1030340497.db2.gz WMFHSNQGHGMNMY-CQSZACIVSA-N 2 0 304.482 3.522 20 0 DHADRP CCCCOCCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000557885177 1030340826 /nfs/dbraw/zinc/34/08/26/1030340826.db2.gz OEVSGDVIKCHLHR-ICSRJNTNSA-N 2 0 318.505 3.836 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517819 1030342120 /nfs/dbraw/zinc/34/21/20/1030342120.db2.gz ODNLHNQQFSJZOS-ZHTDJMBKSA-N 2 0 320.452 3.674 20 0 DHADRP COC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000866516982 1030342343 /nfs/dbraw/zinc/34/23/43/1030342343.db2.gz FTCRWURYXYFRSE-LXPRWKDFSA-N 2 0 324.896 3.880 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925395292 1030357034 /nfs/dbraw/zinc/35/70/34/1030357034.db2.gz UYWOOEVXTLAZJG-IERDGZPVSA-N 2 0 324.468 3.713 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000823676784 1030373725 /nfs/dbraw/zinc/37/37/25/1030373725.db2.gz IKKUPHXXLFIIDK-IBGZPJMESA-N 2 0 300.490 3.787 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000925495229 1030378873 /nfs/dbraw/zinc/37/88/73/1030378873.db2.gz NHSPKVKGLOFAKK-IBGZPJMESA-N 2 0 307.441 3.780 20 0 DHADRP C/C=C(\NC=[NH2+])N[C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H]1C ZINC001171029261 1030388574 /nfs/dbraw/zinc/38/85/74/1030388574.db2.gz WEVGIEKRDFEMOE-PPPHWBDRSA-N 2 0 320.525 3.592 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925536715 1030393018 /nfs/dbraw/zinc/39/30/18/1030393018.db2.gz QPIYARMKYNPYTN-UGUYLWEFSA-N 2 0 318.427 3.865 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1 ZINC000925544891 1030396173 /nfs/dbraw/zinc/39/61/73/1030396173.db2.gz BCUORJQTRNMTCE-GOSISDBHSA-N 2 0 304.384 3.577 20 0 DHADRP C/C(=C\C=C\N)[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H]1C ZINC001171032375 1030397404 /nfs/dbraw/zinc/39/74/04/1030397404.db2.gz UMMLVOIQVCBONG-MVIYGINPSA-N 2 0 319.537 3.911 20 0 DHADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171033219 1030399840 /nfs/dbraw/zinc/39/98/40/1030399840.db2.gz LIIWPJLCICOSJS-HRCADAONSA-N 2 0 306.881 3.660 20 0 DHADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925556129 1030401047 /nfs/dbraw/zinc/40/10/47/1030401047.db2.gz KLTDBXSPADSEHX-RBUKOAKNSA-N 2 0 322.537 3.731 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000925561291 1030403789 /nfs/dbraw/zinc/40/37/89/1030403789.db2.gz JUNXLHKPPQFZCM-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925566417 1030406594 /nfs/dbraw/zinc/40/65/94/1030406594.db2.gz BRJRUSSUDJRVQS-AKHDSKFASA-N 2 0 316.489 3.650 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000925604122 1030418537 /nfs/dbraw/zinc/41/85/37/1030418537.db2.gz HVBMINYNVIBOLE-ZWKOTPCHSA-N 2 0 314.404 3.719 20 0 DHADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925607799 1030420187 /nfs/dbraw/zinc/42/01/87/1030420187.db2.gz DANHURHMAVZVMM-GHBBCFCZSA-N 2 0 322.537 3.680 20 0 DHADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925613273 1030422114 /nfs/dbraw/zinc/42/21/14/1030422114.db2.gz BXCGBYHZUWQISU-PVAVHDDUSA-N 2 0 318.486 3.630 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000925645869 1030433012 /nfs/dbraw/zinc/43/30/12/1030433012.db2.gz UHOHLHBTTRFSEL-QZTJIDSGSA-N 2 0 314.404 3.719 20 0 DHADRP C[N@H+](CCCSc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000358339093 1030445791 /nfs/dbraw/zinc/44/57/91/1030445791.db2.gz WHJYBBJIEXCWQY-CQSZACIVSA-N 2 0 312.910 3.896 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925661929 1030446443 /nfs/dbraw/zinc/44/64/43/1030446443.db2.gz FQPOYGRKEVYNHC-IMJJTQAJSA-N 2 0 300.437 3.570 20 0 DHADRP COc1cc(F)cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925676932 1030449946 /nfs/dbraw/zinc/44/99/46/1030449946.db2.gz UTEJMZWQWAKNPG-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCN([C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925685033 1030453231 /nfs/dbraw/zinc/45/32/31/1030453231.db2.gz CUGGZPVYKVMVKS-IAGOWNOFSA-N 2 0 323.569 3.725 20 0 DHADRP c1ccc2c(CC[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)ccnc2c1 ZINC000925705095 1030458568 /nfs/dbraw/zinc/45/85/68/1030458568.db2.gz JJKCJCDYADNYFF-PZJWPPBQSA-N 2 0 323.484 3.535 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925700182 1030458865 /nfs/dbraw/zinc/45/88/65/1030458865.db2.gz ZYARTAHEKQRGCO-NWANDNLSSA-N 2 0 306.416 3.723 20 0 DHADRP Clc1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121695649 1030464341 /nfs/dbraw/zinc/46/43/41/1030464341.db2.gz SACLJMPDWURVGP-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000925736083 1030469899 /nfs/dbraw/zinc/46/98/99/1030469899.db2.gz YMYBJMGLHOKLJC-IGQOVBAYSA-N 2 0 304.400 3.627 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1noc2ccc(F)cc12)c1ccccc1 ZINC000925733319 1030470312 /nfs/dbraw/zinc/47/03/12/1030470312.db2.gz JZKISHHDDQVOLQ-INIZCTEOSA-N 2 0 313.376 3.537 20 0 DHADRP CC[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246309272 1030497619 /nfs/dbraw/zinc/49/76/19/1030497619.db2.gz VLYBOFVAVOMRNI-JQWIXIFHSA-N 2 0 304.812 3.656 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000925757458 1030483249 /nfs/dbraw/zinc/48/32/49/1030483249.db2.gz HDEQLHZPWCLRNB-QZTJIDSGSA-N 2 0 316.489 3.574 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000925782884 1030495183 /nfs/dbraw/zinc/49/51/83/1030495183.db2.gz MWABUZXZZOCKQI-BRWVUGGUSA-N 2 0 308.416 3.547 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000558245470 1030495815 /nfs/dbraw/zinc/49/58/15/1030495815.db2.gz IQFGOLILNUOQCR-LEOABGAYSA-N 2 0 318.427 3.818 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000925803707 1030503245 /nfs/dbraw/zinc/50/32/45/1030503245.db2.gz SSBTWXZZWAEPPN-XHJNMGKDSA-N 2 0 312.910 3.729 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c2ccccc21 ZINC000925838697 1030516895 /nfs/dbraw/zinc/51/68/95/1030516895.db2.gz NPPLSQOWZLKKOL-VSZNYVQBSA-N 2 0 314.379 3.770 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000925873974 1030527436 /nfs/dbraw/zinc/52/74/36/1030527436.db2.gz OSNYECGIZULDTO-LEWJYISDSA-N 2 0 324.468 3.760 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000925875638 1030528898 /nfs/dbraw/zinc/52/88/98/1030528898.db2.gz KFIPEZUAUPJFSL-HLIPFELVSA-N 2 0 308.469 3.924 20 0 DHADRP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)c3ccccc3O2)cc1 ZINC000925877216 1030528996 /nfs/dbraw/zinc/52/89/96/1030528996.db2.gz GDNHGGPVWNHJPQ-DSKINZAPSA-N 2 0 322.452 3.983 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000925876871 1030529307 /nfs/dbraw/zinc/52/93/07/1030529307.db2.gz BNQQFBBMLQYTBU-GRVMKYMCSA-N 2 0 322.452 3.839 20 0 DHADRP CCC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccn1 ZINC000925887029 1030534196 /nfs/dbraw/zinc/53/41/96/1030534196.db2.gz POGQPYBBRPPZPR-YSIASYRMSA-N 2 0 309.457 3.572 20 0 DHADRP COc1cc(C)ccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000824382746 1030543125 /nfs/dbraw/zinc/54/31/25/1030543125.db2.gz GEMHRLUYUDZKCE-UHFFFAOYSA-N 2 0 312.457 3.697 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000925973704 1030562332 /nfs/dbraw/zinc/56/23/32/1030562332.db2.gz RUQXKSNAPLKBOG-RBUKOAKNSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063227 1030620223 /nfs/dbraw/zinc/62/02/23/1030620223.db2.gz MIXGAMROQUHQJM-CQSZACIVSA-N 2 0 315.288 3.910 20 0 DHADRP COCC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000926116971 1030622462 /nfs/dbraw/zinc/62/24/62/1030622462.db2.gz UAGRKEFLLCQWNA-QAPCUYQASA-N 2 0 316.445 3.770 20 0 DHADRP C[C@@H](CCN[C@@H](C)c1cnn(C2CCC2)c1)[NH+]1CCCCC1 ZINC000926146467 1030633118 /nfs/dbraw/zinc/63/31/18/1030633118.db2.gz VFMVKGPDSDXKTE-HOTGVXAUSA-N 2 0 304.482 3.523 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000246809368 1030653546 /nfs/dbraw/zinc/65/35/46/1030653546.db2.gz ABZSBOPLUIDXPU-ARFHVFGLSA-N 2 0 320.477 3.536 20 0 DHADRP CO[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926253705 1030676538 /nfs/dbraw/zinc/67/65/38/1030676538.db2.gz USAZTERRHZDGNE-XBPNIJIESA-N 2 0 316.489 3.585 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000926354623 1030707497 /nfs/dbraw/zinc/70/74/97/1030707497.db2.gz UZSRRYFSSBAGPR-RXVVDRJESA-N 2 0 323.484 3.514 20 0 DHADRP C[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354192 1030708568 /nfs/dbraw/zinc/70/85/68/1030708568.db2.gz NTSQVLDLSZXKLN-QAPCUYQASA-N 2 0 315.486 3.706 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000926371091 1030715505 /nfs/dbraw/zinc/71/55/05/1030715505.db2.gz IOBHXYCPJCYEQC-IRXDYDNUSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926436085 1030739929 /nfs/dbraw/zinc/73/99/29/1030739929.db2.gz CQWCIOBDJQVFJB-TWOQFEAHSA-N 2 0 312.457 3.521 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2coc3ccccc32)CC[NH+](C)CC1 ZINC000926449545 1030745799 /nfs/dbraw/zinc/74/57/99/1030745799.db2.gz VADQXRZZHUYKEA-AWEZNQCLSA-N 2 0 318.486 3.911 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccco1 ZINC000926449343 1030745813 /nfs/dbraw/zinc/74/58/13/1030745813.db2.gz FDLRXZWIQVZDNC-VQIMIIECSA-N 2 0 321.424 3.742 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000248759368 1030765806 /nfs/dbraw/zinc/76/58/06/1030765806.db2.gz VWCPOPKEBYHDEC-KURKYZTESA-N 2 0 303.494 3.799 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21)C1CC1 ZINC000926558397 1030799051 /nfs/dbraw/zinc/79/90/51/1030799051.db2.gz HPBGFJNJCXBOER-MRXNPFEDSA-N 2 0 307.869 3.576 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573579 1030803364 /nfs/dbraw/zinc/80/33/64/1030803364.db2.gz NTUNMFKHUSUWMO-JKSUJKDBSA-N 2 0 313.445 3.724 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000558800572 1030815649 /nfs/dbraw/zinc/81/56/49/1030815649.db2.gz VWZKGHUXQURRAC-INIZCTEOSA-N 2 0 308.466 3.684 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000926652836 1030841903 /nfs/dbraw/zinc/84/19/03/1030841903.db2.gz YQPBKEPHKDMBGU-HOTGVXAUSA-N 2 0 304.881 3.791 20 0 DHADRP CC(C)(C)[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000926694992 1030865195 /nfs/dbraw/zinc/86/51/95/1030865195.db2.gz XJVXOQGNJIKCKW-LJQANCHMSA-N 2 0 315.505 3.708 20 0 DHADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccnc1 ZINC000359274594 1030876858 /nfs/dbraw/zinc/87/68/58/1030876858.db2.gz DTCOIZPRASQXSZ-MJGOQNOKSA-N 2 0 303.494 3.880 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926779749 1030922576 /nfs/dbraw/zinc/92/25/76/1030922576.db2.gz SKXDAFAFTQCTOB-HBGVWJBISA-N 2 0 324.468 3.929 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802302 1030925853 /nfs/dbraw/zinc/92/58/53/1030925853.db2.gz LBZPVTDAEHCOAU-NHCUHLMSSA-N 2 0 321.468 3.665 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccnn1C1CCC1 ZINC000926796764 1030930918 /nfs/dbraw/zinc/93/09/18/1030930918.db2.gz MIXYRANDYZFKLY-KSTDHSDQSA-N 2 0 304.482 3.522 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000926797691 1030933409 /nfs/dbraw/zinc/93/34/09/1030933409.db2.gz PQWCAAZQQZTIJD-IJNIYJAUSA-N 2 0 318.505 3.828 20 0 DHADRP CC[NH+](CC)CCC[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC001171098998 1030937593 /nfs/dbraw/zinc/93/75/93/1030937593.db2.gz NVDCHUFAMXOJNU-UHFFFAOYSA-N 2 0 324.459 3.951 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]([NH2+]CCC[NH+]1CCCCC1)C2 ZINC001171099634 1030946901 /nfs/dbraw/zinc/94/69/01/1030946901.db2.gz JSWCGPDRPQUBJY-SFHVURJKSA-N 2 0 306.881 3.663 20 0 DHADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926891018 1030969103 /nfs/dbraw/zinc/96/91/03/1030969103.db2.gz XOFRBHBIUSGRHB-UGXKVIGPSA-N 2 0 310.526 3.703 20 0 DHADRP CCSc1ccccc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000926922854 1030996616 /nfs/dbraw/zinc/99/66/16/1030996616.db2.gz MAVQGQANFOZIKR-OAHLLOKOSA-N 2 0 306.519 3.661 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC001246514353 1031019622 /nfs/dbraw/zinc/01/96/22/1031019622.db2.gz GLYMIVYEEKAWFK-MEBBXXQBSA-N 2 0 301.261 3.512 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000927036344 1031043040 /nfs/dbraw/zinc/04/30/40/1031043040.db2.gz AFXUPKXYHZPFHT-WHDUELSGSA-N 2 0 302.437 3.810 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccnc1Cl ZINC000927037826 1031045719 /nfs/dbraw/zinc/04/57/19/1031045719.db2.gz LASCZPCKURNYKM-TUBUQKNSSA-N 2 0 307.869 3.793 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000927038205 1031046157 /nfs/dbraw/zinc/04/61/57/1031046157.db2.gz NQTVLHAYGFJISI-BZOOQXSSSA-N 2 0 307.507 3.818 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000927038757 1031047126 /nfs/dbraw/zinc/04/71/26/1031047126.db2.gz QDJPKGBDQCKSHD-CUYAVPTFSA-N 2 0 302.437 3.810 20 0 DHADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039158 1031048905 /nfs/dbraw/zinc/04/89/05/1031048905.db2.gz SOEXONQQASRNMK-AJPWXKBRSA-N 2 0 314.473 3.679 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)[C@H](C)C1 ZINC001171116478 1031049989 /nfs/dbraw/zinc/04/99/89/1031049989.db2.gz QJNDUZKPHPFMCV-NIKGAXFTSA-N 2 0 320.908 3.906 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261796412 1031065763 /nfs/dbraw/zinc/06/57/63/1031065763.db2.gz VMYPMRFRZBIEPJ-FQEVSTJZSA-N 2 0 310.441 3.533 20 0 DHADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262009386 1031086918 /nfs/dbraw/zinc/08/69/18/1031086918.db2.gz UYZXQMFSCPVIID-QGZVFWFLSA-N 2 0 322.880 3.703 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000927128774 1031107411 /nfs/dbraw/zinc/10/74/11/1031107411.db2.gz MPAAZPYNTRXYIH-QFBILLFUSA-N 2 0 316.489 3.891 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000927128770 1031107974 /nfs/dbraw/zinc/10/79/74/1031107974.db2.gz MPAAZPYNTRXYIH-LPHOPBHVSA-N 2 0 316.489 3.891 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]CCCCn3ccnc3)oc21 ZINC000321404532 1031122605 /nfs/dbraw/zinc/12/26/05/1031122605.db2.gz IMJIUTAJQAVXHG-CQSZACIVSA-N 2 0 313.401 3.769 20 0 DHADRP [NH3+]CC1CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246537697 1031187997 /nfs/dbraw/zinc/18/79/97/1031187997.db2.gz KBDUAWXMKCMTOC-CQSZACIVSA-N 2 0 313.272 3.521 20 0 DHADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355086 1031189113 /nfs/dbraw/zinc/18/91/13/1031189113.db2.gz HFILKPJUDNHYQK-INIZCTEOSA-N 2 0 318.480 3.858 20 0 DHADRP C[C@@H](Cc1ccoc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347390551 1031216075 /nfs/dbraw/zinc/21/60/75/1031216075.db2.gz KLMKKVGNFZTDMK-BRIRTLKKSA-N 2 0 324.468 3.996 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162555602 1031234192 /nfs/dbraw/zinc/23/41/92/1031234192.db2.gz WRMMEKXUYVRPRD-IERDGZPVSA-N 2 0 324.468 3.650 20 0 DHADRP Cc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc2cccnc12 ZINC000360165246 1031304240 /nfs/dbraw/zinc/30/42/40/1031304240.db2.gz KTEIZGTXQFFYSO-UHFFFAOYSA-N 2 0 311.473 3.755 20 0 DHADRP CC[C@@H]1CC[C@H](C)[NH+]1CC1(C[N@H+]2[C@H](C)CC[C@@H]2CC)COC1 ZINC000360213617 1031327535 /nfs/dbraw/zinc/32/75/35/1031327535.db2.gz QCLGMSLXYVKBMO-FZDBZEDMSA-N 2 0 308.510 3.529 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1C ZINC000844923532 1031400326 /nfs/dbraw/zinc/40/03/26/1031400326.db2.gz IRLCKUJSQGPDBN-CQSZACIVSA-N 2 0 316.420 3.761 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844924760 1031403225 /nfs/dbraw/zinc/40/32/25/1031403225.db2.gz QIDCGYJSQQMHRI-CYBMUJFWSA-N 2 0 302.393 3.534 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000844924952 1031404579 /nfs/dbraw/zinc/40/45/79/1031404579.db2.gz OAQRDHQZDRZMOT-JTQLQIEISA-N 2 0 316.276 3.616 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872023448 1031408576 /nfs/dbraw/zinc/40/85/76/1031408576.db2.gz RUYHFYXEJLGQTH-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCCOC1 ZINC000872025606 1031410409 /nfs/dbraw/zinc/41/04/09/1031410409.db2.gz QADQOCHSISLZDM-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000379635972 1031416264 /nfs/dbraw/zinc/41/62/64/1031416264.db2.gz WOVMNMDDMTXCGG-IJXRJRJASA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CCO1 ZINC000872033264 1031416738 /nfs/dbraw/zinc/41/67/38/1031416738.db2.gz CERZORWKJFUMKR-ZWKOTPCHSA-N 2 0 310.526 3.826 20 0 DHADRP C[C@H](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000379648855 1031427442 /nfs/dbraw/zinc/42/74/42/1031427442.db2.gz NGJJTZSVSZNYPS-CZAAIQMYSA-N 2 0 323.484 3.631 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc(O)c1F ZINC000872042342 1031427939 /nfs/dbraw/zinc/42/79/39/1031427939.db2.gz NRDWIMHGRMYOHP-QQFBHYJXSA-N 2 0 320.452 3.979 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956983 1031481139 /nfs/dbraw/zinc/48/11/39/1031481139.db2.gz AHQMZFDQEJELMR-KXBFYZLASA-N 2 0 304.453 3.907 20 0 DHADRP C[C@H](c1ccc(F)nc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929264030 1031481989 /nfs/dbraw/zinc/48/19/89/1031481989.db2.gz QAAVATKJIWAFGI-MRXNPFEDSA-N 2 0 319.468 3.870 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929275222 1031483362 /nfs/dbraw/zinc/48/33/62/1031483362.db2.gz HXBWNGPVYHOUEA-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000537017059 1031484713 /nfs/dbraw/zinc/48/47/13/1031484713.db2.gz GRUACDOUBNAWLY-ZFWWWQNUSA-N 2 0 312.404 3.813 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872093836 1031490836 /nfs/dbraw/zinc/49/08/36/1031490836.db2.gz XHDBJPLZTSUCEI-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc([C@H](C)[NH3+])cc3)c2c1 ZINC001171170288 1031501789 /nfs/dbraw/zinc/50/17/89/1031501789.db2.gz WQMMQNHPAMFSBA-GJZGRUSLSA-N 2 0 307.441 3.848 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1c(Cl)ccc2cccnc21 ZINC000872155852 1031535599 /nfs/dbraw/zinc/53/55/99/1031535599.db2.gz YKXMHCRGLXWHSG-UHFFFAOYSA-N 2 0 305.853 3.839 20 0 DHADRP c1cncc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000929507870 1031536018 /nfs/dbraw/zinc/53/60/18/1031536018.db2.gz ABRSXVLDYZTUCL-HXUWFJFHSA-N 2 0 315.505 3.602 20 0 DHADRP Cc1nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872155971 1031538436 /nfs/dbraw/zinc/53/84/36/1031538436.db2.gz BQOYZJMGROWFEY-PBHICJAKSA-N 2 0 307.507 3.571 20 0 DHADRP CC(C)c1cc([C@@H]2CCC[N@H+](CCCCCCC[NH3+])C2)[nH]n1 ZINC000872146560 1031538527 /nfs/dbraw/zinc/53/85/27/1031538527.db2.gz QZEYTGPKINHPAP-MRXNPFEDSA-N 2 0 306.498 3.622 20 0 DHADRP CCCCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000123970714 1031550711 /nfs/dbraw/zinc/55/07/11/1031550711.db2.gz LWYSFYMJWBZWLU-HXUWFJFHSA-N 2 0 317.521 3.535 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C12CCCC2 ZINC000537306104 1031563995 /nfs/dbraw/zinc/56/39/95/1031563995.db2.gz DXRYNYJUMMNEQW-CEXWTWQISA-N 2 0 322.537 3.682 20 0 DHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000537345947 1031577166 /nfs/dbraw/zinc/57/71/66/1031577166.db2.gz QSLMQYFCBWWSDS-UHFFFAOYSA-N 2 0 314.404 3.746 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000537406429 1031592540 /nfs/dbraw/zinc/59/25/40/1031592540.db2.gz IBEDXFRRIJTXQA-VJANTYMQSA-N 2 0 310.526 3.680 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929777115 1031606460 /nfs/dbraw/zinc/60/64/60/1031606460.db2.gz AJIZIEBHKFUTIO-KBAYOESNSA-N 2 0 322.443 3.699 20 0 DHADRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NCC(C)(C)[NH3+] ZINC001171194510 1031645908 /nfs/dbraw/zinc/64/59/08/1031645908.db2.gz QFNITZZYYAOXRB-UHFFFAOYSA-N 2 0 317.399 3.696 20 0 DHADRP Fc1cccc([C@@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)c1 ZINC000873205958 1031757664 /nfs/dbraw/zinc/75/76/64/1031757664.db2.gz XTNSRKXUPJLGCF-CQSZACIVSA-N 2 0 316.445 3.522 20 0 DHADRP CC[C@](C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873206887 1031762351 /nfs/dbraw/zinc/76/23/51/1031762351.db2.gz MUGPYLUNIJIORI-SFHVURJKSA-N 2 0 300.471 3.809 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000361154177 1031762773 /nfs/dbraw/zinc/76/27/73/1031762773.db2.gz LWZIIXMOYVOGKQ-LJQANCHMSA-N 2 0 316.489 3.920 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000873219631 1031763906 /nfs/dbraw/zinc/76/39/06/1031763906.db2.gz AXNXXIHNWBBQSV-STQMWFEESA-N 2 0 314.395 3.787 20 0 DHADRP CC(C)c1ncc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232940 1031766589 /nfs/dbraw/zinc/76/65/89/1031766589.db2.gz SSDMCKCUTDFCJU-OAHLLOKOSA-N 2 0 307.507 3.669 20 0 DHADRP [NH3+][C@H](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000873234523 1031768065 /nfs/dbraw/zinc/76/80/65/1031768065.db2.gz FWAAAJJRSQBZKN-OAGGEKHMSA-N 2 0 314.395 3.657 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254832 1031774714 /nfs/dbraw/zinc/77/47/14/1031774714.db2.gz BSOHVDSCLQUXSI-WBIUFABUSA-N 2 0 319.449 3.646 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(SCC(F)(F)F)cc1 ZINC000873253833 1031775469 /nfs/dbraw/zinc/77/54/69/1031775469.db2.gz FUQFSBKVDXOWSR-WZRBSPASSA-N 2 0 318.408 3.729 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000873252441 1031775927 /nfs/dbraw/zinc/77/59/27/1031775927.db2.gz RSQHKDNVBRYYFP-IFUGULHKSA-N 2 0 312.429 3.706 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1OCCC ZINC000873258783 1031776351 /nfs/dbraw/zinc/77/63/51/1031776351.db2.gz USGRYRUXVWXBFP-ZOBUZTSGSA-N 2 0 320.477 3.652 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCCO2 ZINC000873265793 1031778444 /nfs/dbraw/zinc/77/84/44/1031778444.db2.gz XUGKHGTUYQBOKC-VLQPXKRTSA-N 2 0 314.473 3.583 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000873268109 1031781065 /nfs/dbraw/zinc/78/10/65/1031781065.db2.gz RFCOWPVDQUQTIG-NWDGAFQWSA-N 2 0 316.367 3.624 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1OCC ZINC000873265926 1031782123 /nfs/dbraw/zinc/78/21/23/1031782123.db2.gz RPBARGRPPBFJND-HUUCEWRRSA-N 2 0 320.477 3.523 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000873267444 1031782231 /nfs/dbraw/zinc/78/22/31/1031782231.db2.gz CMQUEVJNEDBADT-ZIAGYGMSSA-N 2 0 315.486 3.849 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000873267814 1031782255 /nfs/dbraw/zinc/78/22/55/1031782255.db2.gz KDHWDMZXASWROS-HZPDHXFCSA-N 2 0 309.457 3.787 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000873271735 1031785076 /nfs/dbraw/zinc/78/50/76/1031785076.db2.gz KDHWDMZXASWROS-HOTGVXAUSA-N 2 0 309.457 3.787 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3cc(N)cc(F)c3)CC2)C1 ZINC000873286987 1031786408 /nfs/dbraw/zinc/78/64/08/1031786408.db2.gz AJGDUYHKMQBPPV-AUUYWEPGSA-N 2 0 319.468 3.541 20 0 DHADRP CC(C)C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873291350 1031789076 /nfs/dbraw/zinc/78/90/76/1031789076.db2.gz KBKFLAJVRISKHX-HZPDHXFCSA-N 2 0 322.518 3.584 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290179 1031790499 /nfs/dbraw/zinc/79/04/99/1031790499.db2.gz OQICNKTXNFBFMT-APWZRJJASA-N 2 0 316.489 3.619 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000873290103 1031790568 /nfs/dbraw/zinc/79/05/68/1031790568.db2.gz OBIBBCSPDFNTBX-FUHWJXTLSA-N 2 0 324.468 3.649 20 0 DHADRP c1noc(C2CC2)c1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000361241698 1031808750 /nfs/dbraw/zinc/80/87/50/1031808750.db2.gz XCHXAXOFOZMUPO-MRXNPFEDSA-N 2 0 317.477 3.640 20 0 DHADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000777911838 1031834941 /nfs/dbraw/zinc/83/49/41/1031834941.db2.gz PONJJPOWLRSJIP-SFHVURJKSA-N 2 0 306.881 3.991 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000897881956 1031867928 /nfs/dbraw/zinc/86/79/28/1031867928.db2.gz HKSKTQLSPAXLSL-ATZCPQFDSA-N 2 0 308.416 3.531 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000846221780 1031932620 /nfs/dbraw/zinc/93/26/20/1031932620.db2.gz OGFAODGEHMTLGM-OAHLLOKOSA-N 2 0 301.434 3.526 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)N1CC(C)(C[NH3+])C1 ZINC001246589943 1031957986 /nfs/dbraw/zinc/95/79/86/1031957986.db2.gz QAAPVODMBWKCIP-LLVKDONJSA-N 2 0 301.261 3.595 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1sccc1Br ZINC000044516869 1032051879 /nfs/dbraw/zinc/05/18/79/1032051879.db2.gz HMZMTWUXDRLWRN-SNVBAGLBSA-N 2 0 317.296 3.503 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000643521513 1033331548 /nfs/dbraw/zinc/33/15/48/1033331548.db2.gz NQCBQLIUTYKKML-HUUCEWRRSA-N 2 0 311.267 3.632 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(OC(F)F)c1 ZINC000539219471 1033303127 /nfs/dbraw/zinc/30/31/27/1033303127.db2.gz NJLZSHMJSXDVDS-DZGCQCFKSA-N 2 0 312.404 3.813 20 0 DHADRP CC1(C)CC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC(C)(C)O1 ZINC001172654273 1033304579 /nfs/dbraw/zinc/30/45/79/1033304579.db2.gz ZOCZQPLGDZJYSY-UHFFFAOYSA-N 2 0 322.537 3.824 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172654304 1033308964 /nfs/dbraw/zinc/30/89/64/1033308964.db2.gz ATMLZGOKUHNAEW-WOVMCDHWSA-N 2 0 310.526 3.965 20 0 DHADRP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001172719057 1033323740 /nfs/dbraw/zinc/32/37/40/1033323740.db2.gz ZGIGREUTOBSWDS-LJQANCHMSA-N 2 0 318.892 3.661 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000877496816 1033324862 /nfs/dbraw/zinc/32/48/62/1033324862.db2.gz ZHDDWIUCXKFVDT-BHYGNILZSA-N 2 0 308.416 3.532 20 0 DHADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC[PH+](C(C)C)C(C)C ZINC001172752469 1033336173 /nfs/dbraw/zinc/33/61/73/1033336173.db2.gz LLPUAYPKFUNXND-OAHLLOKOSA-N 2 0 303.427 3.995 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)sc1Br ZINC000643522648 1033341492 /nfs/dbraw/zinc/34/14/92/1033341492.db2.gz QVZBNVXPXUYXBM-MNOVXSKESA-N 2 0 317.296 3.612 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709173 1033345017 /nfs/dbraw/zinc/34/50/17/1033345017.db2.gz UCJPBCLQTHBCIM-ZRGWGRIASA-N 2 0 320.908 3.765 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709170 1033345634 /nfs/dbraw/zinc/34/56/34/1033345634.db2.gz UCJPBCLQTHBCIM-CLCXKQKWSA-N 2 0 320.908 3.765 20 0 DHADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[PH+](C(C)C)C(C)C)CC1 ZINC001172784945 1033368904 /nfs/dbraw/zinc/36/89/04/1033368904.db2.gz YDEJFWHLRHKENF-CVEARBPZSA-N 2 0 315.438 3.997 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCC[NH+]1CCCC1 ZINC001172837909 1033377686 /nfs/dbraw/zinc/37/76/86/1033377686.db2.gz QXIINDFOQIDCEW-AWEZNQCLSA-N 2 0 312.860 3.876 20 0 DHADRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172817860 1033379887 /nfs/dbraw/zinc/37/98/87/1033379887.db2.gz BKWITCZGQWLNQG-IOJLRTSASA-N 2 0 300.490 3.862 20 0 DHADRP CN1CCC[C@@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824949 1033385812 /nfs/dbraw/zinc/38/58/12/1033385812.db2.gz LUVOTKQQBBAWBP-GOLJUSPKSA-N 2 0 312.501 3.814 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172830472 1033393543 /nfs/dbraw/zinc/39/35/43/1033393543.db2.gz JEEHDAGNPFMBJX-NRFANRHFSA-N 2 0 314.517 3.954 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001172864887 1033407287 /nfs/dbraw/zinc/40/72/87/1033407287.db2.gz HNFOQQFKJBMRCC-VBNZEHGJSA-N 2 0 312.860 3.873 20 0 DHADRP CC[C@H]1C[C@H](C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)CCO1 ZINC000877675056 1033408466 /nfs/dbraw/zinc/40/84/66/1033408466.db2.gz VBMAJCJGEDVGAL-MSOLQXFVSA-N 2 0 308.510 3.532 20 0 DHADRP CC(C)c1ncc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000877684121 1033410784 /nfs/dbraw/zinc/41/07/84/1033410784.db2.gz HCTXXSXVBRGQPK-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172855535 1033424272 /nfs/dbraw/zinc/42/42/72/1033424272.db2.gz FVIWIFHOPDHWGH-CQSZACIVSA-N 2 0 324.871 3.828 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172859410 1033428855 /nfs/dbraw/zinc/42/88/55/1033428855.db2.gz JRDFJGYNWZGFQA-UHOFOFEASA-N 2 0 312.860 3.873 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874822 1033446228 /nfs/dbraw/zinc/44/62/28/1033446228.db2.gz IYKLRXAQYOOOJQ-ZDUSSCGKSA-N 2 0 300.899 3.880 20 0 DHADRP Cc1cccc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2cccc(F)c2)c1 ZINC000643536216 1033474480 /nfs/dbraw/zinc/47/44/80/1033474480.db2.gz OIWPUYSBNZPFNO-WOJBJXKFSA-N 2 0 324.443 3.955 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000877834801 1033481318 /nfs/dbraw/zinc/48/13/18/1033481318.db2.gz ZMRZNRCOWXZFKR-ZFWWWQNUSA-N 2 0 300.437 3.807 20 0 DHADRP C[N@H+](CCCOc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000478547603 1033506635 /nfs/dbraw/zinc/50/66/35/1033506635.db2.gz HVLDOHKTTWEWGD-LJQANCHMSA-N 2 0 312.457 3.683 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040601 1033507983 /nfs/dbraw/zinc/50/79/83/1033507983.db2.gz IJAANVSITAEINF-QGZVFWFLSA-N 2 0 310.526 3.826 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)C2CCC3(CCOCC3)CC2)CC1 ZINC001173049558 1033513283 /nfs/dbraw/zinc/51/32/83/1033513283.db2.gz WTYIPURLCUMZSX-UHFFFAOYSA-N 2 0 322.537 3.922 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc12 ZINC000152405964 1033520507 /nfs/dbraw/zinc/52/05/07/1033520507.db2.gz VCAZDSPHQGLLPT-HZPDHXFCSA-N 2 0 324.468 3.983 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000152452323 1033524936 /nfs/dbraw/zinc/52/49/36/1033524936.db2.gz KFTLBNKEKOAYHL-BBRMVZONSA-N 2 0 324.415 3.813 20 0 DHADRP CCCOC1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001173095065 1033526423 /nfs/dbraw/zinc/52/64/23/1033526423.db2.gz HAKNGIDZBHPCBI-UHFFFAOYSA-N 2 0 308.510 3.675 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC001173103200 1033540397 /nfs/dbraw/zinc/54/03/97/1033540397.db2.gz IGAFFWISTGJAGF-ABHNRTSZSA-N 2 0 301.478 3.702 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3oc(C)nc3c2)CC1 ZINC001173101058 1033540525 /nfs/dbraw/zinc/54/05/25/1033540525.db2.gz CCRVICYYNDLRLZ-UHFFFAOYSA-N 2 0 315.461 3.879 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3cc(OC)ccc32)CC1 ZINC001173105123 1033543634 /nfs/dbraw/zinc/54/36/34/1033543634.db2.gz AOJWAJGHZWOGIY-LBXVMSDZSA-N 2 0 316.489 3.925 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc(CCOC)c2)CC1 ZINC001173107814 1033545045 /nfs/dbraw/zinc/54/50/45/1033545045.db2.gz OHDUFLPZNUIGEE-UHFFFAOYSA-N 2 0 318.505 3.618 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2ccc(F)cn2)C2CC2)CC1 ZINC001173107199 1033545500 /nfs/dbraw/zinc/54/55/00/1033545500.db2.gz YHXJEFGHEJVWRQ-FAFZWHIHSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2(CC3CC3)CCOCC2)CC1 ZINC001173107201 1033545905 /nfs/dbraw/zinc/54/59/05/1033545905.db2.gz YKNMBMHAJKNWNP-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)Cc2cnc(Cl)s2)CC1 ZINC001173109657 1033546312 /nfs/dbraw/zinc/54/63/12/1033546312.db2.gz JBJIPUBSRVHJRX-UHFFFAOYSA-N 2 0 315.914 3.881 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC(c3ccccn3)CC2)CC1 ZINC001173111588 1033548040 /nfs/dbraw/zinc/54/80/40/1033548040.db2.gz HUIVDECATJJVOL-UHFFFAOYSA-N 2 0 315.505 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001173117089 1033550456 /nfs/dbraw/zinc/55/04/56/1033550456.db2.gz JTUSXTUXQCVYRC-UHFFFAOYSA-N 2 0 322.443 3.976 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000153514936 1033582179 /nfs/dbraw/zinc/58/21/79/1033582179.db2.gz ZLRCXPKTCPDPAQ-QFBILLFUSA-N 2 0 316.489 3.634 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173198163 1033589465 /nfs/dbraw/zinc/58/94/65/1033589465.db2.gz PHHLHYHOWCEGJC-UHFFFAOYSA-N 2 0 316.489 3.698 20 0 DHADRP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3OC)CC2)C1 ZINC001173269719 1033641252 /nfs/dbraw/zinc/64/12/52/1033641252.db2.gz KTAPPINZGWAYEQ-AEFFLSMTSA-N 2 0 316.489 3.610 20 0 DHADRP CC[C@@H]1CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173273057 1033642239 /nfs/dbraw/zinc/64/22/39/1033642239.db2.gz XTAUZRVOHTXWBJ-PSBWJHGTSA-N 2 0 301.478 3.732 20 0 DHADRP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(OC)cc3)CC2)C1 ZINC001173273955 1033643457 /nfs/dbraw/zinc/64/34/57/1033643457.db2.gz HWJYMQXOXFUMAV-WBVHZDCISA-N 2 0 302.462 3.524 20 0 DHADRP CC[C@@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173273058 1033643692 /nfs/dbraw/zinc/64/36/92/1033643692.db2.gz XTAUZRVOHTXWBJ-RWQQGDIJSA-N 2 0 301.478 3.732 20 0 DHADRP CCSC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001173294959 1033652920 /nfs/dbraw/zinc/65/29/20/1033652920.db2.gz JZRPHDNTVMYIAG-OWYHZJEWSA-N 2 0 318.530 3.913 20 0 DHADRP CCSC[C@@H](C)[NH+]1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001173298480 1033656798 /nfs/dbraw/zinc/65/67/98/1033656798.db2.gz PFFXXKDGAHASIU-CYBMUJFWSA-N 2 0 312.910 3.731 20 0 DHADRP C([NH2+][C@@H]1CCCC2(CCCCC2)C1)C1CC[NH+](C2COC2)CC1 ZINC001173345243 1033699605 /nfs/dbraw/zinc/69/96/05/1033699605.db2.gz SNEJQTXCBLXLDH-GOSISDBHSA-N 2 0 320.521 3.580 20 0 DHADRP C([NH2+][C@H]1CCCC2(CCCCC2)C1)C1CC[NH+](C2COC2)CC1 ZINC001173345246 1033699988 /nfs/dbraw/zinc/69/99/88/1033699988.db2.gz SNEJQTXCBLXLDH-SFHVURJKSA-N 2 0 320.521 3.580 20 0 DHADRP [NH3+][C@H]1CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC[C@H]1F ZINC001206199070 1033722966 /nfs/dbraw/zinc/72/29/66/1033722966.db2.gz NQPXAHZGZXETNU-UXHICEINSA-N 2 0 312.432 3.539 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878511680 1033733450 /nfs/dbraw/zinc/73/34/50/1033733450.db2.gz GGCKUDJKVCQAHK-AQNXPRMDSA-N 2 0 316.489 3.713 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)CN1C1CC1 ZINC000479430451 1033760184 /nfs/dbraw/zinc/76/01/84/1033760184.db2.gz XOTFPTFCTPCHLG-DZGCQCFKSA-N 2 0 308.416 3.502 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001173547099 1033763192 /nfs/dbraw/zinc/76/31/92/1033763192.db2.gz OXWDPHMDSBJDLV-NZVBXONLSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000479559677 1033815784 /nfs/dbraw/zinc/81/57/84/1033815784.db2.gz OSFXPSVQXGCULB-IKGGRYGDSA-N 2 0 304.478 3.714 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](C3CCC4(CCc5ccccc54)CC3)C2)C1 ZINC001173691190 1033834942 /nfs/dbraw/zinc/83/49/42/1033834942.db2.gz IGIQNRHBFHCMSS-NJEKYYFSSA-N 2 0 324.512 3.841 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(C(F)F)c1)CC2 ZINC000879250530 1033963677 /nfs/dbraw/zinc/96/36/77/1033963677.db2.gz HUTVCSVQECZGIF-UHFFFAOYSA-N 2 0 308.416 3.932 20 0 DHADRP C[C@@H]1C[N@H+](CCc2ccc(Cl)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205985394 1033992743 /nfs/dbraw/zinc/99/27/43/1033992743.db2.gz XXUFLZOEJGPIEP-OCCSQVGLSA-N 2 0 315.288 3.843 20 0 DHADRP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000667628363 1034098791 /nfs/dbraw/zinc/09/87/91/1034098791.db2.gz CBIWVFSYKAVONU-MRXNPFEDSA-N 2 0 315.486 3.502 20 0 DHADRP [NH3+]CCCCCCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000863546034 1034127119 /nfs/dbraw/zinc/12/71/19/1034127119.db2.gz CWPLBJAWDYXFJJ-UHFFFAOYSA-N 2 0 308.441 3.578 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546726 1034127304 /nfs/dbraw/zinc/12/73/04/1034127304.db2.gz NGXUIMDROZYJGT-LSDHHAIUSA-N 2 0 307.388 3.786 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000863654490 1034163033 /nfs/dbraw/zinc/16/30/33/1034163033.db2.gz YBKCVFIZNYPREE-DZOHQFGASA-N 2 0 304.865 3.838 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000678993832 1034204049 /nfs/dbraw/zinc/20/40/49/1034204049.db2.gz YMMUPIJOKIVRFM-UHFFFAOYSA-N 2 0 321.534 3.576 20 0 DHADRP CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667669415 1034220573 /nfs/dbraw/zinc/22/05/73/1034220573.db2.gz RGZOSCBGSSLGFC-GOSISDBHSA-N 2 0 320.440 3.720 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000880254900 1034267085 /nfs/dbraw/zinc/26/70/85/1034267085.db2.gz RRNIIPKZYCDPTL-GOSISDBHSA-N 2 0 308.510 3.676 20 0 DHADRP C[NH+](C)C[C@H]1CCN(Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000179633426 1034320286 /nfs/dbraw/zinc/32/02/86/1034320286.db2.gz BEKTZGKBKJITQH-CYBMUJFWSA-N 2 0 320.383 3.608 20 0 DHADRP C[NH+](C)C[C@@H]1CCN(Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000179633415 1034322201 /nfs/dbraw/zinc/32/22/01/1034322201.db2.gz BEKTZGKBKJITQH-ZDUSSCGKSA-N 2 0 320.383 3.608 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000480608819 1034339516 /nfs/dbraw/zinc/33/95/16/1034339516.db2.gz GKLDFTMZYJAGQM-PXNSSMCTSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000480606847 1034348207 /nfs/dbraw/zinc/34/82/07/1034348207.db2.gz IPLLUXPSLYMFNP-ZACQAIPSSA-N 2 0 316.489 3.735 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000480622525 1034358559 /nfs/dbraw/zinc/35/85/59/1034358559.db2.gz YWDSYRKYQCUDKY-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(F)c1F ZINC000183216551 1034364112 /nfs/dbraw/zinc/36/41/12/1034364112.db2.gz YPKSCKZSJFTIOJ-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP Cc1c[nH+]ccc1Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001174538811 1034452934 /nfs/dbraw/zinc/45/29/34/1034452934.db2.gz ROIHZWVEFFZIBI-FQEVSTJZSA-N 2 0 321.468 3.899 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000554981417 1034453685 /nfs/dbraw/zinc/45/36/85/1034453685.db2.gz COLRLFHWBKGCDM-UYAOXDASSA-N 2 0 318.505 3.692 20 0 DHADRP C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@@H]1CCC[NH+](C)C1 ZINC000128702447 1034485113 /nfs/dbraw/zinc/48/51/13/1034485113.db2.gz ITJZSWASAINECR-CQSZACIVSA-N 2 0 317.864 3.662 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480893776 1034499973 /nfs/dbraw/zinc/49/99/73/1034499973.db2.gz DNMLGPKOKULEPT-IAGOWNOFSA-N 2 0 318.505 3.964 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)C(C)C)C1 ZINC000481016739 1034550874 /nfs/dbraw/zinc/55/08/74/1034550874.db2.gz BITXTXRVNABKRP-UXHICEINSA-N 2 0 302.506 3.965 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481026886 1034561466 /nfs/dbraw/zinc/56/14/66/1034561466.db2.gz USUDYNHQRXQPLR-WOJBJXKFSA-N 2 0 302.506 3.884 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000481055972 1034570828 /nfs/dbraw/zinc/57/08/28/1034570828.db2.gz UWYYAJQTNVDPHF-IEBWSBKVSA-N 2 0 306.469 3.714 20 0 DHADRP Cc1cccc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000481108711 1034597655 /nfs/dbraw/zinc/59/76/55/1034597655.db2.gz NSYDRIZMOJSASH-HXUWFJFHSA-N 2 0 300.490 3.878 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000186096532 1034597948 /nfs/dbraw/zinc/59/79/48/1034597948.db2.gz RHCUVQOJSXFCRE-CYBMUJFWSA-N 2 0 304.459 3.669 20 0 DHADRP Cc1cccc(CCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000481120579 1034603360 /nfs/dbraw/zinc/60/33/60/1034603360.db2.gz SIZAZEMSZHGZHA-HXUWFJFHSA-N 2 0 300.490 3.591 20 0 DHADRP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629524840 1034637556 /nfs/dbraw/zinc/63/75/56/1034637556.db2.gz UXUGVRGKMHYFBO-JHJVBQTASA-N 2 0 304.821 3.564 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(Cl)c(F)c2)c1 ZINC000865451102 1034653762 /nfs/dbraw/zinc/65/37/62/1034653762.db2.gz IXRLUOVUIKIRRM-UHFFFAOYSA-N 2 0 321.827 3.616 20 0 DHADRP CCc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000555364298 1034654798 /nfs/dbraw/zinc/65/47/98/1034654798.db2.gz GNULGKJCGOYDCU-MJGOQNOKSA-N 2 0 315.505 3.730 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000865475541 1034664340 /nfs/dbraw/zinc/66/43/40/1034664340.db2.gz CTVFLLMSZHBICI-UHFFFAOYSA-N 2 0 309.523 3.652 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCS2 ZINC000186993843 1034677243 /nfs/dbraw/zinc/67/72/43/1034677243.db2.gz YPJWVYPERHYOBY-YJBOKZPZSA-N 2 0 316.514 3.914 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481245733 1034683558 /nfs/dbraw/zinc/68/35/58/1034683558.db2.gz KFYHBPXEUCELSN-IAGOWNOFSA-N 2 0 302.462 3.634 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000482014524 1035042693 /nfs/dbraw/zinc/04/26/93/1035042693.db2.gz GRUILQNJTONWJE-FXAWDEMLSA-N 2 0 300.490 3.529 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000482067569 1035051924 /nfs/dbraw/zinc/05/19/24/1035051924.db2.gz IQMBYRLBRJKQER-NVXWUHKLSA-N 2 0 304.453 3.926 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000482314671 1035083319 /nfs/dbraw/zinc/08/33/19/1035083319.db2.gz FFWCMJGUBRCNQR-CLCXKQKWSA-N 2 0 304.453 3.769 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001175769112 1035115394 /nfs/dbraw/zinc/11/53/94/1035115394.db2.gz PPERAZAPLFBQJM-QGZVFWFLSA-N 2 0 317.436 3.946 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000160033401 1035128620 /nfs/dbraw/zinc/12/86/20/1035128620.db2.gz NTHJLFKEKIOBFF-WHOFXGATSA-N 2 0 311.267 3.617 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830174 1035184311 /nfs/dbraw/zinc/18/43/11/1035184311.db2.gz VEWLKZILOCLWHA-XJKSGUPXSA-N 2 0 310.869 3.511 20 0 DHADRP Cc1cccc2[nH]c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cc21 ZINC000668168941 1035202042 /nfs/dbraw/zinc/20/20/42/1035202042.db2.gz DRTDYXUYCCCERH-KRWDZBQOSA-N 2 0 311.473 3.640 20 0 DHADRP CCc1cccc2cc(C[N@H+](C)[C@H]3CCN(C)C[C@@H]3C)oc21 ZINC000668172194 1035204525 /nfs/dbraw/zinc/20/45/25/1035204525.db2.gz HGSOLXNPDSUOGQ-KSSFIOAISA-N 2 0 300.446 3.767 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924783070 1035218708 /nfs/dbraw/zinc/21/87/08/1035218708.db2.gz DHQMZCJNFCMENI-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP C[C@@H](CC[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccccc1 ZINC000194590062 1035222520 /nfs/dbraw/zinc/22/25/20/1035222520.db2.gz OZDWEOVMAPOJGS-ZWKOTPCHSA-N 2 0 311.473 3.868 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2sccc2C)[C@@H](C)C1 ZINC000483135392 1035232569 /nfs/dbraw/zinc/23/25/69/1035232569.db2.gz OZFHCZVWYRTEMX-ULQDDVLXSA-N 2 0 324.534 3.844 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000192921095 1035240277 /nfs/dbraw/zinc/24/02/77/1035240277.db2.gz JVKNPHQSTXDTGU-HOTGVXAUSA-N 2 0 304.478 3.783 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000483323116 1035258619 /nfs/dbraw/zinc/25/86/19/1035258619.db2.gz VCZMCDZZCGLHPR-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000483722023 1035292106 /nfs/dbraw/zinc/29/21/06/1035292106.db2.gz HWIJEXXBNUVUAA-OMZCGLGVSA-N 2 0 322.537 3.682 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2)c1 ZINC000483717221 1035292126 /nfs/dbraw/zinc/29/21/26/1035292126.db2.gz YWHMAWYHHNFNHH-IIBYNOLFSA-N 2 0 324.468 3.792 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484354983 1035332195 /nfs/dbraw/zinc/33/21/95/1035332195.db2.gz RTHFRAUKUIGEKI-KGLIPLIRSA-N 2 0 306.416 3.771 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000484471801 1035337507 /nfs/dbraw/zinc/33/75/07/1035337507.db2.gz INTJDMDJZWHGIS-MLGOLLRUSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000484491575 1035341834 /nfs/dbraw/zinc/34/18/34/1035341834.db2.gz ZVPZYCVOKZOYEB-MRLBHPIUSA-N 2 0 306.416 3.673 20 0 DHADRP CCN1C[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000484473905 1035344070 /nfs/dbraw/zinc/34/40/70/1035344070.db2.gz JBPDVEJLAQLWNS-FTRWYGJKSA-N 2 0 309.457 3.739 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC001206292886 1035348659 /nfs/dbraw/zinc/34/86/59/1035348659.db2.gz FKIIUAPKGHYYJP-OAHLLOKOSA-N 2 0 300.368 3.656 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CC(C)C)CCC2)[C@@H](C)C1 ZINC000484509750 1035350920 /nfs/dbraw/zinc/35/09/20/1035350920.db2.gz TWERDOXYIXBKDZ-OALUTQOASA-N 2 0 324.553 3.929 20 0 DHADRP C[C@@H](C[NH2+]Cc1cccc(-c2cccnc2)c1)C[NH+]1CCCCC1 ZINC001177416321 1035369262 /nfs/dbraw/zinc/36/92/62/1035369262.db2.gz MWMKEOXAMDNMQK-SFHVURJKSA-N 2 0 323.484 3.960 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001177674013 1035386670 /nfs/dbraw/zinc/38/66/70/1035386670.db2.gz HJXGMSKPAMKGCM-VQIMIIECSA-N 2 0 318.505 3.931 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC001177784184 1035392111 /nfs/dbraw/zinc/39/21/11/1035392111.db2.gz KPSLIJNVOUKOHD-APWZRJJASA-N 2 0 318.505 3.584 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904384316 1035409849 /nfs/dbraw/zinc/40/98/49/1035409849.db2.gz INWGHZWNHUPVHJ-XLIONFOSSA-N 2 0 316.489 3.654 20 0 DHADRP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)s2)cc1 ZINC000904411453 1035411571 /nfs/dbraw/zinc/41/15/71/1035411571.db2.gz NIMLRPWYUBGUJJ-HOCLYGCPSA-N 2 0 315.486 3.535 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000195134481 1035414594 /nfs/dbraw/zinc/41/45/94/1035414594.db2.gz VCJHQKZPAVJACA-WBVHZDCISA-N 2 0 300.471 3.921 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CSC1(C)C ZINC001178554155 1035437182 /nfs/dbraw/zinc/43/71/82/1035437182.db2.gz XOZJUBLEKGIKGZ-INIZCTEOSA-N 2 0 306.519 3.628 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001178916898 1035454612 /nfs/dbraw/zinc/45/46/12/1035454612.db2.gz QZZLEHVFHVXLBX-INIZCTEOSA-N 2 0 316.489 3.612 20 0 DHADRP Clc1cc(Cl)cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC001178917406 1035455666 /nfs/dbraw/zinc/45/56/66/1035455666.db2.gz ZEWCLIWOSPNBHB-UHFFFAOYSA-N 2 0 306.196 3.931 20 0 DHADRP Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001179015782 1035461358 /nfs/dbraw/zinc/46/13/58/1035461358.db2.gz MRFJUPSKUAJPTJ-QUCCMNQESA-N 2 0 312.432 3.569 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC001179291634 1035472176 /nfs/dbraw/zinc/47/21/76/1035472176.db2.gz RUKMGNJSATXUFY-SFHVURJKSA-N 2 0 324.815 3.698 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000568781960 1035474404 /nfs/dbraw/zinc/47/44/04/1035474404.db2.gz BUWMEZXMCDDYGD-LSDHHAIUSA-N 2 0 323.278 3.688 20 0 DHADRP CCOC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000189346242 1035524755 /nfs/dbraw/zinc/52/47/55/1035524755.db2.gz AORZJCMCRQLXOX-WDSOQIARSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001179878428 1035529573 /nfs/dbraw/zinc/52/95/73/1035529573.db2.gz QAPCTJDNJWJKDX-WOJBJXKFSA-N 2 0 300.490 3.905 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168465746 1035534669 /nfs/dbraw/zinc/53/46/69/1035534669.db2.gz VXWYOWNSGDEYAT-INIZCTEOSA-N 2 0 306.469 3.858 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2ccccc2OC)CC1 ZINC001180051976 1035575544 /nfs/dbraw/zinc/57/55/44/1035575544.db2.gz NMRBVBPLUQJXBM-SFHVURJKSA-N 2 0 302.462 3.564 20 0 DHADRP CCc1nc2c(s1)[C@H]([N@@H+](C)CC1CC[NH+](CC)CC1)CCC2 ZINC001180076897 1035588320 /nfs/dbraw/zinc/58/83/20/1035588320.db2.gz JZZAJSMAOQJBGB-MRXNPFEDSA-N 2 0 321.534 3.747 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)Cc2cccs2)cc1 ZINC001204266949 1035655744 /nfs/dbraw/zinc/65/57/44/1035655744.db2.gz BVHFGUIDFFKSCF-UHFFFAOYSA-N 2 0 318.486 3.711 20 0 DHADRP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cnn1C(C)C ZINC000191145421 1035662452 /nfs/dbraw/zinc/66/24/52/1035662452.db2.gz YRUTYBHFAOSZIU-HNNXBMFYSA-N 2 0 314.477 3.685 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cnn1C(C)C ZINC000191293438 1035677890 /nfs/dbraw/zinc/67/78/90/1035677890.db2.gz JBMYONVELIXSPT-YOEHRIQHSA-N 2 0 308.514 3.789 20 0 DHADRP CC(C)C[C@@H](C)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668513531 1035722770 /nfs/dbraw/zinc/72/27/70/1035722770.db2.gz SXSMJUKHUSOHMT-QGZVFWFLSA-N 2 0 303.494 3.565 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539507108 1035754848 /nfs/dbraw/zinc/75/48/48/1035754848.db2.gz CUIODOUCKBVJRW-LBPRGKRZSA-N 2 0 304.821 3.999 20 0 DHADRP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000539498613 1035759906 /nfs/dbraw/zinc/75/99/06/1035759906.db2.gz UXRYYFVURBUYRB-IGKNDFSCSA-N 2 0 322.537 3.536 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001168467771 1035798590 /nfs/dbraw/zinc/79/85/90/1035798590.db2.gz KZKWPWIMVWOURM-HNNXBMFYSA-N 2 0 306.469 3.857 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)C[NH+]1CCCCC1 ZINC000192704064 1035809020 /nfs/dbraw/zinc/80/90/20/1035809020.db2.gz MZBGYMXFWNUDTQ-APWZRJJASA-N 2 0 301.478 3.645 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000494747520 1035852508 /nfs/dbraw/zinc/85/25/08/1035852508.db2.gz ICXKUDPFWAKKAL-SCTDSRPQSA-N 2 0 304.478 3.617 20 0 DHADRP Cc1ccccc1-c1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001181324427 1035890917 /nfs/dbraw/zinc/89/09/17/1035890917.db2.gz QOXAZCUFXXSIKQ-KDURUIRLSA-N 2 0 306.453 3.655 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1N(C)C)C[NH+]1CCCCC1 ZINC000539859508 1035908469 /nfs/dbraw/zinc/90/84/69/1035908469.db2.gz FPGHEUUOGMNBBH-IRXDYDNUSA-N 2 0 303.494 3.525 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001168469470 1035963242 /nfs/dbraw/zinc/96/32/42/1035963242.db2.gz TYPUCSRSLDXIFN-OAHLLOKOSA-N 2 0 304.453 3.611 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000540151060 1035986675 /nfs/dbraw/zinc/98/66/75/1035986675.db2.gz MYBIKDRLDXZGSM-DNVCBOLYSA-N 2 0 304.453 3.771 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000540171292 1035993389 /nfs/dbraw/zinc/99/33/89/1035993389.db2.gz QHUCHUSHNSMBOB-OAGGEKHMSA-N 2 0 324.534 3.851 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C(C)(C)C)c2)[C@H](C)C1 ZINC000540183953 1036000088 /nfs/dbraw/zinc/00/00/88/1036000088.db2.gz LVVPGWXULNTGEG-APWZRJJASA-N 2 0 318.505 3.683 20 0 DHADRP Cc1ccc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001203297485 1036032596 /nfs/dbraw/zinc/03/25/96/1036032596.db2.gz FUOINLINIZVCSK-UHFFFAOYSA-N 2 0 312.457 3.932 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCC(C)C)c2)[C@H](C)C1 ZINC000540481845 1036076026 /nfs/dbraw/zinc/07/60/26/1036076026.db2.gz NUPCPPRHPPCMRD-XLIONFOSSA-N 2 0 318.505 3.884 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168472932 1036101403 /nfs/dbraw/zinc/10/14/03/1036101403.db2.gz AHHBEYYFVQQWQB-ATZDWAIDSA-N 2 0 306.469 3.999 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001168474704 1036154876 /nfs/dbraw/zinc/15/48/76/1036154876.db2.gz ULHWDSQKJVBINR-INIZCTEOSA-N 2 0 312.432 3.707 20 0 DHADRP CCC[C@@H](CC)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000540788804 1036155278 /nfs/dbraw/zinc/15/52/78/1036155278.db2.gz GMSRSJJXBOEUJA-OAHLLOKOSA-N 2 0 304.482 3.603 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494984509 1036164598 /nfs/dbraw/zinc/16/45/98/1036164598.db2.gz FXPUCJAMVSIUMJ-WMZOPIPTSA-N 2 0 310.551 3.716 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCSC2)CC1)CC1CC1 ZINC000495025196 1036184960 /nfs/dbraw/zinc/18/49/60/1036184960.db2.gz GPVTVPVMTNRABW-GOSISDBHSA-N 2 0 310.551 3.574 20 0 DHADRP Clc1ccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250233589 1036259223 /nfs/dbraw/zinc/25/92/23/1036259223.db2.gz CBAYTMIUNPYFSM-STCOUPBVSA-N 2 0 304.865 3.802 20 0 DHADRP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000541282657 1036284022 /nfs/dbraw/zinc/28/40/22/1036284022.db2.gz PIJOWYIVBWZEPB-TZIWHRDSSA-N 2 0 312.501 3.876 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000486686792 1036359482 /nfs/dbraw/zinc/35/94/82/1036359482.db2.gz TWXAYHCBYKOZEK-QGZVFWFLSA-N 2 0 305.441 3.763 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@H](c2ccccc2)C1 ZINC001182544983 1036383601 /nfs/dbraw/zinc/38/36/01/1036383601.db2.gz SXHXRCUIBSJPMT-LRSLUSHPSA-N 2 0 320.480 3.725 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC(F)CC1 ZINC000668684980 1036422090 /nfs/dbraw/zinc/42/20/90/1036422090.db2.gz BTDACLDWZNFTMN-FHERZECASA-N 2 0 305.441 3.557 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000486949198 1036474242 /nfs/dbraw/zinc/47/42/42/1036474242.db2.gz HMGZJVVNQWEJES-MRXNPFEDSA-N 2 0 322.468 3.969 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C/C=C/c1ccncc1 ZINC000486936472 1036477064 /nfs/dbraw/zinc/47/70/64/1036477064.db2.gz FNUPTCYDJCAYQQ-BQYQJAHWSA-N 2 0 309.457 3.726 20 0 DHADRP c1ccc2c(c1)CC[C@H](C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)C2 ZINC000541988019 1036478682 /nfs/dbraw/zinc/47/86/82/1036478682.db2.gz IVNDGLOQPCLPRA-GHTZIAJQSA-N 2 0 312.501 3.742 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000486975923 1036491679 /nfs/dbraw/zinc/49/16/79/1036491679.db2.gz YAIRSYCFKZPUNP-APWZRJJASA-N 2 0 318.530 3.904 20 0 DHADRP c1ccc2c(c1)CCC(C[NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001183054529 1036511836 /nfs/dbraw/zinc/51/18/36/1036511836.db2.gz ZIVMLJLYXHHCMU-UHFFFAOYSA-N 2 0 312.501 3.646 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC001183123970 1036519258 /nfs/dbraw/zinc/51/92/58/1036519258.db2.gz OSVNESILUQFHSD-NJAFHUGGSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000542177089 1036524258 /nfs/dbraw/zinc/52/42/58/1036524258.db2.gz PWGHCPAZNRQEJC-BHIYHBOVSA-N 2 0 318.530 3.772 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC001183146589 1036527162 /nfs/dbraw/zinc/52/71/62/1036527162.db2.gz XOIXWMGWMYWKJV-UHFFFAOYSA-N 2 0 310.432 3.607 20 0 DHADRP CCCC[N@H+](CC[C@@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544814 1036566291 /nfs/dbraw/zinc/56/62/91/1036566291.db2.gz IULLZAPZLNHLSC-MRXNPFEDSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413538 1036625994 /nfs/dbraw/zinc/62/59/94/1036625994.db2.gz DUFPQQCGSHOYJX-NJAFHUGGSA-N 2 0 322.537 3.965 20 0 DHADRP Fc1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000629548638 1036652829 /nfs/dbraw/zinc/65/28/29/1036652829.db2.gz HWCNAJIQIWDAEP-GOEBONIOSA-N 2 0 308.416 3.534 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001196942590 1036656309 /nfs/dbraw/zinc/65/63/09/1036656309.db2.gz FTSBNWHSLGNWDP-ZCNNSNEGSA-N 2 0 320.521 3.530 20 0 DHADRP CC(C)C[N@H+](CCO[C@H]1CCCC[C@@H]1C)CC1CC[NH+](C)CC1 ZINC001197194706 1036706422 /nfs/dbraw/zinc/70/64/22/1036706422.db2.gz SULNNBLEUWEILK-ICSRJNTNSA-N 2 0 324.553 3.882 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001184053644 1036733486 /nfs/dbraw/zinc/73/34/86/1036733486.db2.gz BZLYAGOLVXNDTQ-XCLNPWKQSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC001205136286 1036737068 /nfs/dbraw/zinc/73/70/68/1036737068.db2.gz VTJNNNAQPUGLQM-GXTWGEPZSA-N 2 0 304.821 3.627 20 0 DHADRP C[C@H]([NH2+]CCSC(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000089516406 1036752955 /nfs/dbraw/zinc/75/29/55/1036752955.db2.gz YIRCKLFYGSRJBB-HNNXBMFYSA-N 2 0 324.534 3.809 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1ccccc1F ZINC000492256071 1036806431 /nfs/dbraw/zinc/80/64/31/1036806431.db2.gz FZCIINYZOLDRGV-UHFFFAOYSA-N 2 0 324.403 3.740 20 0 DHADRP Fc1ccc2cc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)[nH]c2c1 ZINC000488314027 1036958972 /nfs/dbraw/zinc/95/89/72/1036958972.db2.gz NXQHOCHGMARLQL-AWEZNQCLSA-N 2 0 324.403 3.636 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488424289 1037005747 /nfs/dbraw/zinc/00/57/47/1037005747.db2.gz CMHMAQDILBMYHO-XDNAFOTISA-N 2 0 312.567 3.864 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488428827 1037016949 /nfs/dbraw/zinc/01/69/49/1037016949.db2.gz LOWCJGYJCAMXEM-ROUUACIJSA-N 2 0 312.567 3.864 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CS1 ZINC000488455291 1037027136 /nfs/dbraw/zinc/02/71/36/1037027136.db2.gz FAECGDQWPAWDAL-RBUKOAKNSA-N 2 0 318.530 3.902 20 0 DHADRP Cc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000488724255 1037114339 /nfs/dbraw/zinc/11/43/39/1037114339.db2.gz XZCLIUYBXWVWAO-OAHLLOKOSA-N 2 0 309.457 3.854 20 0 DHADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000493061130 1037136547 /nfs/dbraw/zinc/13/65/47/1037136547.db2.gz QURRBZNKUXQBOE-QGZVFWFLSA-N 2 0 307.457 3.918 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309668145 1037168943 /nfs/dbraw/zinc/16/89/43/1037168943.db2.gz QYXRHZJFIXRABN-QRQLOZEOSA-N 2 0 300.490 3.923 20 0 DHADRP Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309730073 1037174766 /nfs/dbraw/zinc/17/47/66/1037174766.db2.gz RIFNGKINBNYEQU-WIYYLYMNSA-N 2 0 308.469 3.995 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347433128 1037189093 /nfs/dbraw/zinc/18/90/93/1037189093.db2.gz GOBBOCSNZCCUQI-QYZOEREBSA-N 2 0 308.510 3.532 20 0 DHADRP CCC1(CC)CCC([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC001199161618 1037210359 /nfs/dbraw/zinc/21/03/59/1037210359.db2.gz KKOVNLJDDLHJIQ-IBGZPJMESA-N 2 0 323.569 3.597 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3cccs3)C2)CC1 ZINC000104949755 1037229606 /nfs/dbraw/zinc/22/96/06/1037229606.db2.gz OFPAFAVVGXGSFA-QGZVFWFLSA-N 2 0 306.519 3.735 20 0 DHADRP c1cc(C[NH2+]CC2CCCCCC2)cc(CN2CCOCC2)c1 ZINC001199403161 1037258774 /nfs/dbraw/zinc/25/87/74/1037258774.db2.gz JCHNGGWWMKKIKU-UHFFFAOYSA-N 2 0 316.489 3.579 20 0 DHADRP COCc1c(C)cc(C)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1C ZINC001199403622 1037260884 /nfs/dbraw/zinc/26/08/84/1037260884.db2.gz XDUBAAGBBURWDA-HNNXBMFYSA-N 2 0 318.505 3.580 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001199758695 1037332047 /nfs/dbraw/zinc/33/20/47/1037332047.db2.gz ALILHHRPZIIKJK-XLAORIBOSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001168455655 1037346137 /nfs/dbraw/zinc/34/61/37/1037346137.db2.gz HOTBYEUWZBGQEB-BBWFWOEESA-N 2 0 306.469 3.714 20 0 DHADRP C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000348837394 1037536726 /nfs/dbraw/zinc/53/67/26/1037536726.db2.gz HQPFROHJTQFBHF-WMLDXEAASA-N 2 0 315.486 3.788 20 0 DHADRP Clc1ccc(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000161573622 1037574962 /nfs/dbraw/zinc/57/49/62/1037574962.db2.gz FSHCKOZXXOETRM-UHFFFAOYSA-N 2 0 318.892 3.836 20 0 DHADRP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000398148540 1037594320 /nfs/dbraw/zinc/59/43/20/1037594320.db2.gz OQQABTFQDJXIJT-WMZOPIPTSA-N 2 0 318.530 3.772 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000493925453 1037595237 /nfs/dbraw/zinc/59/52/37/1037595237.db2.gz LITGCZKSRPYZLW-MJGOQNOKSA-N 2 0 306.494 3.861 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000924851077 1037628961 /nfs/dbraw/zinc/62/89/61/1037628961.db2.gz BNRNDMCYOOGGJQ-AZUAARDMSA-N 2 0 323.484 3.514 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000776163527 1037633187 /nfs/dbraw/zinc/63/31/87/1037633187.db2.gz SWNWJOIUUQWEFL-ADXGEFSYSA-N 2 0 320.521 3.577 20 0 DHADRP CC(C)(C)C1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC001201415618 1037656846 /nfs/dbraw/zinc/65/68/46/1037656846.db2.gz FVYVIJGAYKLHCG-YVZJPGBNSA-N 2 0 322.537 3.559 20 0 DHADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434258 1037689940 /nfs/dbraw/zinc/68/99/40/1037689940.db2.gz IKBSIQNFJATYTJ-UHFFFAOYSA-N 2 0 315.505 3.804 20 0 DHADRP C[N@H+](CCCc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC001235952435 1037706559 /nfs/dbraw/zinc/70/65/59/1037706559.db2.gz XRAASFULPNIWFR-AWEZNQCLSA-N 2 0 315.288 3.857 20 0 DHADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000924854506 1037733869 /nfs/dbraw/zinc/73/38/69/1037733869.db2.gz HNAAWDZNYNJLFG-VQTJNVASSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[NH+](CCC)CCCN1CC[NH+](CC(CC)CC)CC1 ZINC001201534498 1037741904 /nfs/dbraw/zinc/74/19/04/1037741904.db2.gz KBKLRMMCHOXYKZ-UHFFFAOYSA-N 2 0 311.558 3.552 20 0 DHADRP CCC(CC)C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001201528227 1037768192 /nfs/dbraw/zinc/76/81/92/1037768192.db2.gz NAAZWCWAKMLSSM-UHFFFAOYSA-N 2 0 315.505 3.806 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201568127 1037782406 /nfs/dbraw/zinc/78/24/06/1037782406.db2.gz NRXYXJOHTNQPAL-PKOBYXMFSA-N 2 0 310.526 3.778 20 0 DHADRP CCCC[C@H](CC)CN1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201567120 1037783777 /nfs/dbraw/zinc/78/37/77/1037783777.db2.gz XUEWPGXYEOLQAR-KRWDZBQOSA-N 2 0 320.525 3.755 20 0 DHADRP Cc1ccc(Cl)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201659242 1037836875 /nfs/dbraw/zinc/83/68/75/1037836875.db2.gz SUHSEMIYVHFEJH-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP CSCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201700684 1037845085 /nfs/dbraw/zinc/84/50/85/1037845085.db2.gz YPCXUIGSIBZJOE-RBUKOAKNSA-N 2 0 318.530 3.584 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000124166336 1037886209 /nfs/dbraw/zinc/88/62/09/1037886209.db2.gz KIPPFTXCEWQFDZ-DLBZAZTESA-N 2 0 304.478 3.714 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124352378 1037891880 /nfs/dbraw/zinc/89/18/80/1037891880.db2.gz YFYMBTDVQYAAAA-DLBZAZTESA-N 2 0 316.489 3.856 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)CSc2ccc(C)cc2)CC1 ZINC000186470924 1037909248 /nfs/dbraw/zinc/90/92/48/1037909248.db2.gz CWXSTMXEQAHVTG-MRXNPFEDSA-N 2 0 306.519 3.940 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1F ZINC000125342270 1037935362 /nfs/dbraw/zinc/93/53/62/1037935362.db2.gz PNPDOKFFVBDCED-ZDUSSCGKSA-N 2 0 310.482 3.930 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000494331544 1038047218 /nfs/dbraw/zinc/04/72/18/1038047218.db2.gz PYPDGGGCIASPFZ-QGZVFWFLSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000126288715 1038052681 /nfs/dbraw/zinc/05/26/81/1038052681.db2.gz SETHCKAEQKCCJP-KBPBESRZSA-N 2 0 317.502 3.720 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2)CC1 ZINC000571116392 1038081784 /nfs/dbraw/zinc/08/17/84/1038081784.db2.gz GMSKQOYPINJFPJ-INIZCTEOSA-N 2 0 310.869 3.525 20 0 DHADRP Cc1ccoc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571339656 1038127631 /nfs/dbraw/zinc/12/76/31/1038127631.db2.gz SOYAAEHULLXEDV-OALUTQOASA-N 2 0 310.441 3.542 20 0 DHADRP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000571447745 1038139564 /nfs/dbraw/zinc/13/95/64/1038139564.db2.gz HTFYACVSJVQAQL-SFHVURJKSA-N 2 0 319.452 3.961 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)C1 ZINC000571537580 1038167676 /nfs/dbraw/zinc/16/76/76/1038167676.db2.gz KTCJNSGZQSWHPO-LEWJYISDSA-N 2 0 324.468 3.763 20 0 DHADRP Clc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000127699272 1038208811 /nfs/dbraw/zinc/20/88/11/1038208811.db2.gz KUKZVBWGQMIMNN-LSDHHAIUSA-N 2 0 313.272 3.752 20 0 DHADRP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000571941692 1038282564 /nfs/dbraw/zinc/28/25/64/1038282564.db2.gz TXPDVJOJSXDOMR-MOPGFXCFSA-N 2 0 320.521 3.580 20 0 DHADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001205537913 1038369375 /nfs/dbraw/zinc/36/93/75/1038369375.db2.gz KODIVLOARDVLAG-PVAVHDDUSA-N 2 0 310.844 3.596 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC2)cc1C[NH+]1CCCCC1 ZINC000775408974 1038376697 /nfs/dbraw/zinc/37/66/97/1038376697.db2.gz YKXHZNRKPVQFBQ-OAHLLOKOSA-N 2 0 302.462 3.884 20 0 DHADRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC001205545230 1038400775 /nfs/dbraw/zinc/40/07/75/1038400775.db2.gz AVOTZGAPTCONJM-CQSZACIVSA-N 2 0 305.224 3.646 20 0 DHADRP [NH3+]C[C@@]1(F)CCC[N@H+](CC2(c3ccccc3)CCCC2)CC1 ZINC001205545660 1038407410 /nfs/dbraw/zinc/40/74/10/1038407410.db2.gz LHVFEDNUPSBJGG-LJQANCHMSA-N 2 0 304.453 3.651 20 0 DHADRP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546815 1038409629 /nfs/dbraw/zinc/40/96/29/1038409629.db2.gz YVTVSFRQFPSHBS-FUHWJXTLSA-N 2 0 316.505 3.761 20 0 DHADRP CSC1(C[NH2+]Cc2c(C)cc(C)cc2C)CC[NH+](C)CC1 ZINC000589325667 1038460284 /nfs/dbraw/zinc/46/02/84/1038460284.db2.gz XKUKIBVPPPMDTG-UHFFFAOYSA-N 2 0 306.519 3.529 20 0 DHADRP CCc1ccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000589349634 1038467628 /nfs/dbraw/zinc/46/76/28/1038467628.db2.gz PPFMMLSMXJISFF-CYBMUJFWSA-N 2 0 312.548 3.789 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000572858316 1038515214 /nfs/dbraw/zinc/51/52/14/1038515214.db2.gz ZXKLTTAPTVVRKL-AFKBCAQJSA-N 2 0 312.501 3.921 20 0 DHADRP CS[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000775507532 1038599355 /nfs/dbraw/zinc/59/93/55/1038599355.db2.gz AEWBQWWVVTZMGE-OQIJWPOYSA-N 2 0 318.530 3.771 20 0 DHADRP FC(F)(F)OCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001192402510 1038653076 /nfs/dbraw/zinc/65/30/76/1038653076.db2.gz USGATMKBQXYQFA-UHFFFAOYSA-N 2 0 322.415 3.501 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1C[NH3+] ZINC001205604644 1038693739 /nfs/dbraw/zinc/69/37/39/1038693739.db2.gz VVJGCKPKIUEGFK-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000590786265 1038707283 /nfs/dbraw/zinc/70/72/83/1038707283.db2.gz LNYRUHQFSBYKBI-UHFFFAOYSA-N 2 0 308.897 3.935 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000590818997 1038715544 /nfs/dbraw/zinc/71/55/44/1038715544.db2.gz QEKOTVBOXAUEER-UHFFFAOYSA-N 2 0 324.896 3.771 20 0 DHADRP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205616885 1038720606 /nfs/dbraw/zinc/72/06/06/1038720606.db2.gz HLBGVACZPXERJF-UONOGXRCSA-N 2 0 310.869 3.546 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205616899 1038721553 /nfs/dbraw/zinc/72/15/53/1038721553.db2.gz HLRQCCAUOLTYCC-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2F)CC1(C)C ZINC000598953664 1038962220 /nfs/dbraw/zinc/96/22/20/1038962220.db2.gz ZTZRCORGHYJWDS-HNNXBMFYSA-N 2 0 310.482 3.521 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001168414617 1038992293 /nfs/dbraw/zinc/99/22/93/1038992293.db2.gz HFXNORNTVOCTBI-HXUWFJFHSA-N 2 0 316.464 3.537 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc12 ZINC000573707406 1039060487 /nfs/dbraw/zinc/06/04/87/1039060487.db2.gz CCIZVOUPZQDCIH-NRFANRHFSA-N 2 0 324.468 3.766 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000573732825 1039064030 /nfs/dbraw/zinc/06/40/30/1039064030.db2.gz FDOKZJJSUYXXKC-CMKODMSKSA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000574054146 1039399317 /nfs/dbraw/zinc/39/93/17/1039399317.db2.gz UMWLRZXMUNDPMY-HUUCEWRRSA-N 2 0 314.395 3.843 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168419377 1039553687 /nfs/dbraw/zinc/55/36/87/1039553687.db2.gz BFRRDOMKIYPESG-VAMGGRTRSA-N 2 0 318.480 3.926 20 0 DHADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CSCCF ZINC000595009410 1040019775 /nfs/dbraw/zinc/01/97/75/1040019775.db2.gz YOJVHOHLAKYHEA-HNNXBMFYSA-N 2 0 312.498 3.708 20 0 DHADRP C[C@H](CSCCF)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000595033233 1040040470 /nfs/dbraw/zinc/04/04/70/1040040470.db2.gz CJHFPKQSTHOICJ-KLAILNCOSA-N 2 0 316.530 3.710 20 0 DHADRP CCSC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000595100606 1040062563 /nfs/dbraw/zinc/06/25/63/1040062563.db2.gz SOULILAZSYYDAE-NVXWUHKLSA-N 2 0 310.551 3.905 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000608062224 1040362220 /nfs/dbraw/zinc/36/22/20/1040362220.db2.gz IZBWCCCBKIJABZ-VQTJNVASSA-N 2 0 316.489 3.685 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000608492774 1040520064 /nfs/dbraw/zinc/52/00/64/1040520064.db2.gz NQUQEWWCFZLRNY-UHFFFAOYSA-N 2 0 317.521 3.697 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000534059570 1040698906 /nfs/dbraw/zinc/69/89/06/1040698906.db2.gz OYQBJJGMCVNCHP-BZNIZROVSA-N 2 0 313.272 3.912 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000623491477 1040861298 /nfs/dbraw/zinc/86/12/98/1040861298.db2.gz WDMFSBSTYNZPLV-BZSNNMDCSA-N 2 0 320.452 3.508 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000563785001 335012150 /nfs/dbraw/zinc/01/21/50/335012150.db2.gz VMIAWCRBZJZCCP-CMKODMSKSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000020128989 182190289 /nfs/dbraw/zinc/19/02/89/182190289.db2.gz GQBYUZPPSBTKCI-CYBMUJFWSA-N 2 0 311.267 3.586 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000272309271 130018314 /nfs/dbraw/zinc/01/83/14/130018314.db2.gz FQTLEYBTVKICBB-BEFAXECRSA-N 2 0 302.437 3.693 20 0 DHADRP Cc1ccccc1CC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272538419 130039254 /nfs/dbraw/zinc/03/92/54/130039254.db2.gz KFSYMUPMJTTXHW-UHFFFAOYSA-N 2 0 314.395 3.544 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273378268 130114304 /nfs/dbraw/zinc/11/43/04/130114304.db2.gz BROPLCCHUPVFQS-OALUTQOASA-N 2 0 320.452 3.510 20 0 DHADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340184708 131017335 /nfs/dbraw/zinc/01/73/35/131017335.db2.gz SIEWNWMMMYPQOS-WOJBJXKFSA-N 2 0 317.521 3.530 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000284196084 131057806 /nfs/dbraw/zinc/05/78/06/131057806.db2.gz GIJYOLYQAVOQNC-STQMWFEESA-N 2 0 300.899 3.797 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cn[nH]c1 ZINC000284303575 131068860 /nfs/dbraw/zinc/06/88/60/131068860.db2.gz YWVGELAAVXJJEC-INIZCTEOSA-N 2 0 312.461 3.637 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)c1 ZINC000340195278 131133096 /nfs/dbraw/zinc/13/30/96/131133096.db2.gz DFTZUEXMXUGHBQ-LPHOPBHVSA-N 2 0 304.478 3.574 20 0 DHADRP FC(F)(F)c1cccc([C@@H]2CCC[N@H+](CCn3ccnc3)C2)c1 ZINC000285513672 131175656 /nfs/dbraw/zinc/17/56/56/131175656.db2.gz GECRJWNKJRQAMH-OAHLLOKOSA-N 2 0 323.362 3.782 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)cc1 ZINC000340459720 131823427 /nfs/dbraw/zinc/82/34/27/131823427.db2.gz CMBHZMITHCIMSS-VQIMIIECSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297531969 132021245 /nfs/dbraw/zinc/02/12/45/132021245.db2.gz DPTRJEQXMQHFMJ-GUTXKFCHSA-N 2 0 307.869 3.575 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccsc1 ZINC000297694960 132029373 /nfs/dbraw/zinc/02/93/73/132029373.db2.gz MCQDVOIQFLWGEZ-QGZVFWFLSA-N 2 0 318.486 3.929 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1F ZINC000297711911 132030239 /nfs/dbraw/zinc/03/02/39/132030239.db2.gz RBUOJWPXZJEQTG-CYBMUJFWSA-N 2 0 317.383 3.679 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152412724 335068197 /nfs/dbraw/zinc/06/81/97/335068197.db2.gz PEJGKLVQFOYKLW-KBPBESRZSA-N 2 0 322.880 3.874 20 0 DHADRP CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCn2ccnc2)o1 ZINC000343317122 335070348 /nfs/dbraw/zinc/07/03/48/335070348.db2.gz CALGGYXWGBEFAI-DOTOQJQBSA-N 2 0 301.434 3.902 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-c2ccccc2)s1 ZINC000447595820 331540269 /nfs/dbraw/zinc/54/02/69/331540269.db2.gz AQFNNSGTBKDYRJ-OAHLLOKOSA-N 2 0 318.486 3.644 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000070189828 331658592 /nfs/dbraw/zinc/65/85/92/331658592.db2.gz RHIYQOPQPQYZEZ-UHFFFAOYSA-N 2 0 321.515 3.693 20 0 DHADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)c(F)c1 ZINC000564800183 331670294 /nfs/dbraw/zinc/67/02/94/331670294.db2.gz BSTICGKTWIVYKD-UHFFFAOYSA-N 2 0 308.441 3.580 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000261962906 331721038 /nfs/dbraw/zinc/72/10/38/331721038.db2.gz PAZZYNIFEPMILR-LBPRGKRZSA-N 2 0 319.836 3.554 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000556891464 331749616 /nfs/dbraw/zinc/74/96/16/331749616.db2.gz ZBTNICAJAPNQDA-AWEZNQCLSA-N 2 0 310.432 3.607 20 0 DHADRP FC(F)Oc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000559328195 332026555 /nfs/dbraw/zinc/02/65/55/332026555.db2.gz IGXPCNNYAFRUKE-UHFFFAOYSA-N 2 0 312.404 3.644 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000409447259 332031453 /nfs/dbraw/zinc/03/14/53/332031453.db2.gz IKVKRAIIBZFHTE-GOSISDBHSA-N 2 0 308.510 3.673 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C3CCC3)cc2)CC[NH+](C)CC1 ZINC000521075225 332049548 /nfs/dbraw/zinc/04/95/48/332049548.db2.gz XACRPRYTSLQEOT-UHFFFAOYSA-N 2 0 318.530 3.871 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162596176 332941998 /nfs/dbraw/zinc/94/19/98/332941998.db2.gz UATGWXIEJPKACX-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000091957348 332115824 /nfs/dbraw/zinc/11/58/24/332115824.db2.gz WBJJZAHUGYODCK-APHBMKBZSA-N 2 0 323.278 3.727 20 0 DHADRP CCCCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253732 332123173 /nfs/dbraw/zinc/12/31/73/332123173.db2.gz PUMVCROSWBDYBZ-SFHVURJKSA-N 2 0 304.478 3.639 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427109590 332168772 /nfs/dbraw/zinc/16/87/72/332168772.db2.gz HQYCHRFAOWASCC-ICSRJNTNSA-N 2 0 322.452 3.546 20 0 DHADRP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000262111023 332286340 /nfs/dbraw/zinc/28/63/40/332286340.db2.gz JTQUZKVLYMJHNG-CWRNSKLLSA-N 2 0 312.379 3.716 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC2CC2)CC1 ZINC000560112449 332311595 /nfs/dbraw/zinc/31/15/95/332311595.db2.gz OICMGWUYNQEECG-QGZVFWFLSA-N 2 0 300.490 3.862 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000560530316 332352384 /nfs/dbraw/zinc/35/23/84/332352384.db2.gz XXCRGFTXJNMWFH-VAMGGRTRSA-N 2 0 316.489 3.684 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)[C@H]2CCC[C@@H]21 ZINC000560542727 332355763 /nfs/dbraw/zinc/35/57/63/332355763.db2.gz GEPUMOKWPLLYJU-GIVPXCGWSA-N 2 0 321.468 3.711 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000560548642 332357698 /nfs/dbraw/zinc/35/76/98/332357698.db2.gz QMQXXAKTWIZEGR-IPMKNSEASA-N 2 0 312.457 3.746 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000560548644 332357758 /nfs/dbraw/zinc/35/77/58/332357758.db2.gz QMQXXAKTWIZEGR-QRVBRYPASA-N 2 0 312.457 3.746 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560571101 332362032 /nfs/dbraw/zinc/36/20/32/332362032.db2.gz FEFNLXHBMOBPLY-CKEIUWERSA-N 2 0 319.880 3.613 20 0 DHADRP c1cncc(-c2cccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000583381365 332375688 /nfs/dbraw/zinc/37/56/88/332375688.db2.gz IOYRLXBDEWIIAP-NRFANRHFSA-N 2 0 321.468 3.570 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000569918717 332691994 /nfs/dbraw/zinc/69/19/94/332691994.db2.gz MJGXXCZMFAXTCH-FQEVSTJZSA-N 2 0 312.457 3.568 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)c1 ZINC000569957099 332696698 /nfs/dbraw/zinc/69/66/98/332696698.db2.gz GZJCDADSWSECMC-AEFFLSMTSA-N 2 0 306.881 3.955 20 0 DHADRP Cn1cncc1CCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000580342251 335113580 /nfs/dbraw/zinc/11/35/80/335113580.db2.gz VQKAMTVZOPYDRJ-UHFFFAOYSA-N 2 0 317.864 3.886 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000110644331 333039776 /nfs/dbraw/zinc/03/97/76/333039776.db2.gz HKSWAGSINYNVMG-VXGBXAGGSA-N 2 0 300.368 3.826 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000378870587 333058775 /nfs/dbraw/zinc/05/87/75/333058775.db2.gz MPZWQPWRBGOBCV-XLIONFOSSA-N 2 0 324.468 3.577 20 0 DHADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000181751728 333064331 /nfs/dbraw/zinc/06/43/31/333064331.db2.gz FUMMVBUIVZMECW-HKUYNNGSSA-N 2 0 301.478 3.856 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000378950585 333067025 /nfs/dbraw/zinc/06/70/25/333067025.db2.gz HAJMCXXTYVHUPK-CGTJXYLNSA-N 2 0 302.462 3.751 20 0 DHADRP CCn1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000177978700 333133757 /nfs/dbraw/zinc/13/37/57/333133757.db2.gz SZEZMTRICLRTQE-MRXNPFEDSA-N 2 0 314.477 3.594 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2ccccc2n1 ZINC000178016712 333134430 /nfs/dbraw/zinc/13/44/30/333134430.db2.gz YKGBLUMQWXXQKA-CCNLRDMRSA-N 2 0 309.457 3.901 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@@H](c2ccccc2)C1 ZINC000319155626 333266829 /nfs/dbraw/zinc/26/68/29/333266829.db2.gz AHRREFBZDOFFHK-HNJRGHQBSA-N 2 0 300.490 3.890 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000120707897 333306654 /nfs/dbraw/zinc/30/66/54/333306654.db2.gz ZOJWJHGTGOOEQB-LJQANCHMSA-N 2 0 302.462 3.537 20 0 DHADRP COc1ccccc1C[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000124029411 333486273 /nfs/dbraw/zinc/48/62/73/333486273.db2.gz ORTLZHBJGWVDCK-CQSZACIVSA-N 2 0 304.478 3.525 20 0 DHADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411174731 333640132 /nfs/dbraw/zinc/64/01/32/333640132.db2.gz OYEVZVCXNBCRLD-RBUKOAKNSA-N 2 0 304.453 3.735 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCO1 ZINC000411520518 333687809 /nfs/dbraw/zinc/68/78/09/333687809.db2.gz WFNUDUKLQMMMIR-UXHICEINSA-N 2 0 316.489 3.720 20 0 DHADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC1(C)C ZINC000414105377 333897281 /nfs/dbraw/zinc/89/72/81/333897281.db2.gz WCMOMDYULIKSHW-ZWKOTPCHSA-N 2 0 301.478 3.712 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCC2 ZINC000414163487 333915748 /nfs/dbraw/zinc/91/57/48/333915748.db2.gz GAZKTFLRSGLVJD-LJQANCHMSA-N 2 0 307.397 3.510 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000414280387 333932637 /nfs/dbraw/zinc/93/26/37/333932637.db2.gz CZLIKZMOSZUDOR-ZTFGCOKTSA-N 2 0 308.441 3.558 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC000414514704 334003863 /nfs/dbraw/zinc/00/38/63/334003863.db2.gz MDUDDFHYIMJOFB-ZHALLVOQSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651338 334054990 /nfs/dbraw/zinc/05/49/90/334054990.db2.gz CBBWEHFIXLYFDH-VNHYZAJKSA-N 2 0 314.395 3.868 20 0 DHADRP C[C@@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414732216 334075411 /nfs/dbraw/zinc/07/54/11/334075411.db2.gz IGTITLCRXXDWPM-KBPBESRZSA-N 2 0 314.395 3.870 20 0 DHADRP Cc1ccc(C)c(OC2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414734149 334075539 /nfs/dbraw/zinc/07/55/39/334075539.db2.gz BINXDGUAPRBBCK-ROUUACIJSA-N 2 0 316.489 3.535 20 0 DHADRP Cc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1C(F)(F)F ZINC000414748207 334084533 /nfs/dbraw/zinc/08/45/33/334084533.db2.gz IFQAIKWYIGVSCN-AWEZNQCLSA-N 2 0 300.368 3.588 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH2+]CC1 ZINC000414774346 334090731 /nfs/dbraw/zinc/09/07/31/334090731.db2.gz AYDICCGOIQLOGD-CYBMUJFWSA-N 2 0 301.261 3.656 20 0 DHADRP c1ccc(OCCCCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778017 334092479 /nfs/dbraw/zinc/09/24/79/334092479.db2.gz IUWIYCIELDCZDQ-OALUTQOASA-N 2 0 316.489 3.557 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc12 ZINC000414786686 334096421 /nfs/dbraw/zinc/09/64/21/334096421.db2.gz USQFGLCMTVUELD-SJORKVTESA-N 2 0 324.468 3.670 20 0 DHADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(-c2ccncc2)c1 ZINC000414789213 334097070 /nfs/dbraw/zinc/09/70/70/334097070.db2.gz YAESVCQPLZQLSL-RTWAWAEBSA-N 2 0 321.468 3.570 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801228 334101768 /nfs/dbraw/zinc/10/17/68/334101768.db2.gz IZYLBTXDFOPFTL-KGLIPLIRSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000414806546 334104382 /nfs/dbraw/zinc/10/43/82/334104382.db2.gz HQHZBZDPRWMPSY-OAHLLOKOSA-N 2 0 302.462 3.535 20 0 DHADRP CCOc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000414808739 334104908 /nfs/dbraw/zinc/10/49/08/334104908.db2.gz FTSJZDXJPMABMW-ZDUSSCGKSA-N 2 0 302.393 3.534 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCc2ccccc2F)cc1 ZINC000414812049 334106105 /nfs/dbraw/zinc/10/61/05/334106105.db2.gz KFXJKQNUZXBPBD-LSDHHAIUSA-N 2 0 300.421 3.956 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414812548 334106324 /nfs/dbraw/zinc/10/63/24/334106324.db2.gz XKBDKAVQFKAWKZ-INWMFGNUSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000414816291 334106692 /nfs/dbraw/zinc/10/66/92/334106692.db2.gz ZVXYZBCFDCFVEL-GFCCVEGCSA-N 2 0 324.346 3.895 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000414830259 334110587 /nfs/dbraw/zinc/11/05/87/334110587.db2.gz LVCZJYBGGOCGBP-ZDUSSCGKSA-N 2 0 304.434 3.643 20 0 DHADRP Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414830594 334110687 /nfs/dbraw/zinc/11/06/87/334110687.db2.gz PAEXGGVPVLXISU-CYBMUJFWSA-N 2 0 304.434 3.643 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414837575 334111754 /nfs/dbraw/zinc/11/17/54/334111754.db2.gz KLHYSFRXQPQZEZ-UKRRQHHQSA-N 2 0 314.395 3.616 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414837670 334111832 /nfs/dbraw/zinc/11/18/32/334111832.db2.gz UVLLDCOQIVOCLR-LSTHTHJFSA-N 2 0 316.489 3.699 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414849020 334121040 /nfs/dbraw/zinc/12/10/40/334121040.db2.gz HANGEGFVKSCFEF-HOCLYGCPSA-N 2 0 315.486 3.596 20 0 DHADRP Cc1ccn2c(CNC[C@H]([NH3+])c3ccc(C(C)C)cc3)cnc2c1 ZINC000414851733 334125967 /nfs/dbraw/zinc/12/59/67/334125967.db2.gz UUVLASXLQRSCRD-IBGZPJMESA-N 2 0 322.456 3.556 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414852669 334127081 /nfs/dbraw/zinc/12/70/81/334127081.db2.gz KFRXYXLRYWTEIZ-GFCCVEGCSA-N 2 0 301.261 3.515 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000414859903 334132159 /nfs/dbraw/zinc/13/21/59/334132159.db2.gz UYCMQFHQOVRNAQ-JQWIXIFHSA-N 2 0 320.786 3.837 20 0 DHADRP FC(F)(F)c1cccc(CCCC[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414859196 334132343 /nfs/dbraw/zinc/13/23/43/334132343.db2.gz SYNOLAVDLQRCBV-HNNXBMFYSA-N 2 0 314.395 3.617 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414862336 334133289 /nfs/dbraw/zinc/13/32/89/334133289.db2.gz XIEIEUQUDHLGCY-YQBZFSLMSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414863051 334133937 /nfs/dbraw/zinc/13/39/37/334133937.db2.gz XVQCMORPLNKEOQ-YLJYHZDGSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414876310 334146644 /nfs/dbraw/zinc/14/66/44/334146644.db2.gz LDCPVTCQDABGCN-DFBGVHRSSA-N 2 0 300.368 3.526 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906141 334169398 /nfs/dbraw/zinc/16/93/98/334169398.db2.gz MBJVGUVHSKWFBN-WFASDCNBSA-N 2 0 300.899 3.702 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414916536 334177521 /nfs/dbraw/zinc/17/75/21/334177521.db2.gz OTAHFWQFJMTGNT-RYUDHWBXSA-N 2 0 301.261 3.656 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414934519 334197154 /nfs/dbraw/zinc/19/71/54/334197154.db2.gz FCURESGZFRVRQP-PEYYIBSZSA-N 2 0 315.288 3.902 20 0 DHADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415082763 334272219 /nfs/dbraw/zinc/27/22/19/334272219.db2.gz MBTKWNVXMHFPRW-GVDBMIGSSA-N 2 0 304.503 3.727 20 0 DHADRP COc1ccccc1[C@H](N[C@@H](C)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000415083480 334272416 /nfs/dbraw/zinc/27/24/16/334272416.db2.gz FOWOCWZYDXZGOX-YRISNDGFSA-N 2 0 324.468 3.905 20 0 DHADRP Cc1ccccc1OCCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000415083329 334272434 /nfs/dbraw/zinc/27/24/34/334272434.db2.gz PTODDHRXWSZGNH-PMACEKPBSA-N 2 0 324.468 3.847 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)s2)cc1 ZINC000414964377 334213455 /nfs/dbraw/zinc/21/34/55/334213455.db2.gz VAJBEQALSZHKAX-YOEHRIQHSA-N 2 0 300.471 3.811 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000415084566 334272976 /nfs/dbraw/zinc/27/29/76/334272976.db2.gz OUQNZFKXEDSHDH-LZLYRXPVSA-N 2 0 304.478 3.760 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414969084 334215289 /nfs/dbraw/zinc/21/52/89/334215289.db2.gz IPUTWXWMNNFUPY-INIZCTEOSA-N 2 0 315.486 3.740 20 0 DHADRP Clc1cccc(N2CCCC2)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969866 334215833 /nfs/dbraw/zinc/21/58/33/334215833.db2.gz JTFREZQPXMTJFW-HNNXBMFYSA-N 2 0 321.896 3.562 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415082353 334273129 /nfs/dbraw/zinc/27/31/29/334273129.db2.gz OFSWLIIVMKSSAA-XJKCOSOUSA-N 2 0 314.395 3.757 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000414970574 334218157 /nfs/dbraw/zinc/21/81/57/334218157.db2.gz VDIFPUCVQYQJJC-OXQOHEQNSA-N 2 0 309.457 3.502 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000295094259 334218487 /nfs/dbraw/zinc/21/84/87/334218487.db2.gz VEAJVGKTTUVADC-VFCJXBEMSA-N 2 0 306.881 3.904 20 0 DHADRP C[C@H](CC[NH2+]C[C@@]1(C)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415086295 334273330 /nfs/dbraw/zinc/27/33/30/334273330.db2.gz JKSHVUWSACYESP-CZUORRHYSA-N 2 0 314.395 3.788 20 0 DHADRP FC(F)(F)c1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1Cl ZINC000414978218 334224139 /nfs/dbraw/zinc/22/41/39/334224139.db2.gz STZCGRKESRYNLQ-LBPRGKRZSA-N 2 0 320.786 3.981 20 0 DHADRP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414998550 334236615 /nfs/dbraw/zinc/23/66/15/334236615.db2.gz IESVHRYXYJSCGN-MAUKXSAKSA-N 2 0 318.461 3.679 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)s2)cc1 ZINC000414999319 334238007 /nfs/dbraw/zinc/23/80/07/334238007.db2.gz RRARCTKCTDJHQZ-GDBMZVCRSA-N 2 0 315.486 3.726 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000415000383 334239642 /nfs/dbraw/zinc/23/96/42/334239642.db2.gz KFFHWWBRYDAMGM-GXSJLCMTSA-N 2 0 305.224 3.740 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000415028055 334260025 /nfs/dbraw/zinc/26/00/25/334260025.db2.gz BYUVNBFNMBCUMV-IUODEOHRSA-N 2 0 304.434 3.771 20 0 DHADRP Fc1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000415034161 334260257 /nfs/dbraw/zinc/26/02/57/334260257.db2.gz CHFLRYIQRBIRDG-SUMWQHHRSA-N 2 0 302.393 3.536 20 0 DHADRP Cc1nc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2s1 ZINC000415032436 334260260 /nfs/dbraw/zinc/26/02/60/334260260.db2.gz AMPBYUWAGQPJOU-DOTOQJQBSA-N 2 0 315.486 3.569 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000415044453 334261172 /nfs/dbraw/zinc/26/11/72/334261172.db2.gz SPTQJTAWAGGNBH-YPAWHYETSA-N 2 0 322.496 3.948 20 0 DHADRP CCCc1csc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000415045311 334261269 /nfs/dbraw/zinc/26/12/69/334261269.db2.gz BMBKWVNVNTZGLU-INIZCTEOSA-N 2 0 303.475 3.665 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415046879 334261435 /nfs/dbraw/zinc/26/14/35/334261435.db2.gz VMFJKNPVJLNHLD-UXHICEINSA-N 2 0 308.469 3.557 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000415056293 334261851 /nfs/dbraw/zinc/26/18/51/334261851.db2.gz PTVYIFFVLKCYDC-QGZVFWFLSA-N 2 0 320.383 3.858 20 0 DHADRP [NH3+]CC1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000415072973 334264665 /nfs/dbraw/zinc/26/46/65/334264665.db2.gz AOCTYRPVFQPRPV-UHFFFAOYSA-N 2 0 306.881 3.869 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](CN)C1CCCC1 ZINC000415071646 334265334 /nfs/dbraw/zinc/26/53/34/334265334.db2.gz WZBZNTNZPJMGCD-MLGOLLRUSA-N 2 0 314.395 3.744 20 0 DHADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415073740 334267370 /nfs/dbraw/zinc/26/73/70/334267370.db2.gz BKRFTHJEEMQVJZ-DOMZBBRYSA-N 2 0 302.384 3.599 20 0 DHADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000415077547 334270304 /nfs/dbraw/zinc/27/03/04/334270304.db2.gz FLFXIGJKSZJWSA-CTNGQTDRSA-N 2 0 308.469 3.929 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000415079128 334270331 /nfs/dbraw/zinc/27/03/31/334270331.db2.gz HPPHABUPQDAUJC-IPMKNSEASA-N 2 0 300.490 3.766 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079459 334270763 /nfs/dbraw/zinc/27/07/63/334270763.db2.gz HYJFWPZRXKLHGN-NWDGAFQWSA-N 2 0 301.261 3.686 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415092637 334280177 /nfs/dbraw/zinc/28/01/77/334280177.db2.gz UBGDLKOBGBROHF-CLROSIBMSA-N 2 0 310.869 3.536 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000415092074 334280181 /nfs/dbraw/zinc/28/01/81/334280181.db2.gz RZJMLMRYAKTBFZ-IAYYMHMVSA-N 2 0 324.468 3.892 20 0 DHADRP Cc1ccc(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000415112644 334281796 /nfs/dbraw/zinc/28/17/96/334281796.db2.gz CYIGAYHPAJDEOW-TZIWHRDSSA-N 2 0 323.484 3.962 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000415102123 334282494 /nfs/dbraw/zinc/28/24/94/334282494.db2.gz JJHLIQXYGZCLKU-DGCUDZEOSA-N 2 0 308.416 3.579 20 0 DHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000415104508 334282701 /nfs/dbraw/zinc/28/27/01/334282701.db2.gz HAUNGPXLQJSCMJ-OALUTQOASA-N 2 0 308.510 3.565 20 0 DHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000415104510 334282748 /nfs/dbraw/zinc/28/27/48/334282748.db2.gz HAUNGPXLQJSCMJ-RBUKOAKNSA-N 2 0 308.510 3.565 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415104342 334282815 /nfs/dbraw/zinc/28/28/15/334282815.db2.gz LEERJWMYJVGOOL-UHFFFAOYSA-N 2 0 301.261 3.613 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000415114312 334283740 /nfs/dbraw/zinc/28/37/40/334283740.db2.gz XITOTSOFOFJCHX-MGPQQGTHSA-N 2 0 314.395 3.787 20 0 DHADRP [NH3+]C1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000415116128 334283931 /nfs/dbraw/zinc/28/39/31/334283931.db2.gz ZCDCWEOMOPVNSD-UHFFFAOYSA-N 2 0 312.379 3.597 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000415129311 334285287 /nfs/dbraw/zinc/28/52/87/334285287.db2.gz UIOLKIFDMFYYIB-NHCUHLMSSA-N 2 0 324.468 3.558 20 0 DHADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000531949496 334303559 /nfs/dbraw/zinc/30/35/59/334303559.db2.gz DWMBNPHAMPVADQ-IAGOWNOFSA-N 2 0 318.505 3.931 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000531950860 334304313 /nfs/dbraw/zinc/30/43/13/334304313.db2.gz XAMCHQJSGMKYHM-BFYDXBDKSA-N 2 0 324.896 3.736 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)C1CCOCC1 ZINC000531955052 334306388 /nfs/dbraw/zinc/30/63/88/334306388.db2.gz YHMIEJBOXDMBQB-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531959799 334316098 /nfs/dbraw/zinc/31/60/98/334316098.db2.gz QPXOLSPBPPHNQC-MRXNPFEDSA-N 2 0 304.478 3.776 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000531977360 334346769 /nfs/dbraw/zinc/34/67/69/334346769.db2.gz IUXHCGISPPEOBG-KGLIPLIRSA-N 2 0 306.416 3.818 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C1CCN(C3CC3)CC1)CCC2 ZINC000534972693 334350961 /nfs/dbraw/zinc/35/09/61/334350961.db2.gz RUHWRPZWCHQZDR-GOSISDBHSA-N 2 0 304.865 3.934 20 0 DHADRP Fc1ccccc1C1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000341477952 334452217 /nfs/dbraw/zinc/45/22/17/334452217.db2.gz DSIXGBZTQYLAGH-UHFFFAOYSA-N 2 0 302.437 3.678 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)CC(C)C ZINC000417385968 334788352 /nfs/dbraw/zinc/78/83/52/334788352.db2.gz YGUXKJSTYZMXCG-YTQUADARSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cn1 ZINC000343643280 335184350 /nfs/dbraw/zinc/18/43/50/335184350.db2.gz USUXNBKUEZMZIE-XWPNQZOQSA-N 2 0 316.489 3.584 20 0 DHADRP CCCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000343935190 335203112 /nfs/dbraw/zinc/20/31/12/335203112.db2.gz XVHKIFHBDSWHFN-FQEVSTJZSA-N 2 0 317.521 3.535 20 0 DHADRP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000344523314 335255092 /nfs/dbraw/zinc/25/50/92/335255092.db2.gz XSQMUOVZLUTKGY-ZDUSSCGKSA-N 2 0 319.836 3.521 20 0 DHADRP C[C@H]1CCC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000344909185 335284931 /nfs/dbraw/zinc/28/49/31/335284931.db2.gz ZRXRIJVYYKVDLF-JKSUJKDBSA-N 2 0 316.493 3.603 20 0 DHADRP Cc1c([C@H](C)NC2CC[NH+](C3CCC3)CC2)cnn1C(C)(C)C ZINC000345287001 335313837 /nfs/dbraw/zinc/31/38/37/335313837.db2.gz WYJIGVLCASTESW-AWEZNQCLSA-N 2 0 318.509 3.614 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000346143493 335380931 /nfs/dbraw/zinc/38/09/31/335380931.db2.gz YYJKAUVKBYAKDK-WOJBJXKFSA-N 2 0 318.505 3.820 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000346142754 335380960 /nfs/dbraw/zinc/38/09/60/335380960.db2.gz CGNIFXZRQNJYER-HXUWFJFHSA-N 2 0 318.424 3.913 20 0 DHADRP CCSCC[C@H](C)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346165630 335384300 /nfs/dbraw/zinc/38/43/00/335384300.db2.gz IEQOELRXLQSCSB-AWEZNQCLSA-N 2 0 318.490 3.539 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c3ncccc3c2)[C@H](C)C1 ZINC000346221220 335385625 /nfs/dbraw/zinc/38/56/25/335385625.db2.gz OADUYJJTXFHFKQ-VQIMIIECSA-N 2 0 311.473 3.705 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C)sc2C1 ZINC000346233014 335386738 /nfs/dbraw/zinc/38/67/38/335386738.db2.gz ZCOPGGCDMSQAKX-KBPBESRZSA-N 2 0 307.507 3.530 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3C[C@@H](C)CC[C@H]3C)sc2C1 ZINC000346233030 335386831 /nfs/dbraw/zinc/38/68/31/335386831.db2.gz ZCOPGGCDMSQAKX-UONOGXRCSA-N 2 0 307.507 3.530 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2cccnc12 ZINC000346208107 335390293 /nfs/dbraw/zinc/39/02/93/335390293.db2.gz SANKZQVMURRTKV-HXUWFJFHSA-N 2 0 323.484 3.994 20 0 DHADRP CCC[C@]1(C)CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346206907 335390333 /nfs/dbraw/zinc/39/03/33/335390333.db2.gz RLWZRHGERHOSDW-LJQANCHMSA-N 2 0 312.461 3.978 20 0 DHADRP c1cncc([C@H]2CCC[C@H]([NH2+]CCCC[NH+]3CCCC3)C2)c1 ZINC000367058277 335605923 /nfs/dbraw/zinc/60/59/23/335605923.db2.gz RRTYRPOKBHRMAT-HKUYNNGSSA-N 2 0 301.478 3.573 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000536697192 335864450 /nfs/dbraw/zinc/86/44/50/335864450.db2.gz MFEDIKKJYSANDA-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000583661358 336035673 /nfs/dbraw/zinc/03/56/73/336035673.db2.gz LFGHZSWYZRAKOJ-HNNXBMFYSA-N 2 0 310.844 3.643 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000352051424 336191935 /nfs/dbraw/zinc/19/19/35/336191935.db2.gz ZVFYUVMLRLUNIV-QGZVFWFLSA-N 2 0 324.468 3.709 20 0 DHADRP C[C@H](NCc1ncc(CN(C)C)s1)c1cc2ccccc2o1 ZINC000352250911 336206882 /nfs/dbraw/zinc/20/68/82/336206882.db2.gz MKKDXCWVVUEWAE-LBPRGKRZSA-N 2 0 315.442 3.802 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000352555988 336224500 /nfs/dbraw/zinc/22/45/00/336224500.db2.gz UKQSNMFKVVXSLY-KRWDZBQOSA-N 2 0 307.457 3.774 20 0 DHADRP CC[C@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000352651148 336228763 /nfs/dbraw/zinc/22/87/63/336228763.db2.gz DUMAWEBMTXTQJU-SFHVURJKSA-N 2 0 315.505 3.591 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000532459430 336248441 /nfs/dbraw/zinc/24/84/41/336248441.db2.gz QRQFVTZRHLTDBQ-SCTDSRPQSA-N 2 0 310.526 3.539 20 0 DHADRP CC(C)SCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822222 336257720 /nfs/dbraw/zinc/25/77/20/336257720.db2.gz DVXUEDJZZCGNIU-IBGZPJMESA-N 2 0 318.530 3.726 20 0 DHADRP C[C@H]1CC[N@H+](CCSCc2ccccc2)C[C@@H]1n1ccnc1 ZINC000192692442 336258416 /nfs/dbraw/zinc/25/84/16/336258416.db2.gz GKTVIPPOPIDUPC-WMZOPIPTSA-N 2 0 315.486 3.699 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352824077 336258533 /nfs/dbraw/zinc/25/85/33/336258533.db2.gz CKTXYQXSNIHRRK-UHFFFAOYSA-N 2 0 320.424 3.977 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000526992355 336278302 /nfs/dbraw/zinc/27/83/02/336278302.db2.gz QEDLGUYAPRXRTK-XLIONFOSSA-N 2 0 316.464 3.926 20 0 DHADRP Fc1ccc2c(c1)[nH+]ccc2N1CCC(C[NH+]2CCCC2)CC1 ZINC000301357089 336302375 /nfs/dbraw/zinc/30/23/75/336302375.db2.gz KVYWLMWURKFEBM-UHFFFAOYSA-N 2 0 313.420 3.686 20 0 DHADRP Cc1cc2ccccc2nc1N1CCC[C@@H](Cc2nccn2C)C1 ZINC000301708437 336324850 /nfs/dbraw/zinc/32/48/50/336324850.db2.gz HAZDLWYAYVLASZ-INIZCTEOSA-N 2 0 320.440 3.736 20 0 DHADRP CCc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000301775042 336328974 /nfs/dbraw/zinc/32/89/74/336328974.db2.gz GCHLEJIBQQGHHE-DNVCBOLYSA-N 2 0 309.457 3.718 20 0 DHADRP Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000301999621 336342369 /nfs/dbraw/zinc/34/23/69/336342369.db2.gz VLEZEYLTFZZBBJ-MRXNPFEDSA-N 2 0 313.420 3.747 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2c1 ZINC000302147993 336350878 /nfs/dbraw/zinc/35/08/78/336350878.db2.gz JAWZVOYWSWIYBK-SJORKVTESA-N 2 0 309.457 3.995 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000514104397 336352176 /nfs/dbraw/zinc/35/21/76/336352176.db2.gz JMBSRBWXFOURKY-QRVBRYPASA-N 2 0 318.530 3.691 20 0 DHADRP CC(C)c1nc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C(C)(C)C)n1 ZINC000302897043 336373756 /nfs/dbraw/zinc/37/37/56/336373756.db2.gz PFWWPFQOKFWBEJ-HUUCEWRRSA-N 2 0 318.509 3.816 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000320856984 336374419 /nfs/dbraw/zinc/37/44/19/336374419.db2.gz AYCQZSRLJOEVEN-IFXJQAMLSA-N 2 0 309.457 3.619 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000563947632 336387911 /nfs/dbraw/zinc/38/79/11/336387911.db2.gz IDNWOLRPXIRPCM-LHQJTOJGSA-N 2 0 300.490 3.860 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000353633843 336430501 /nfs/dbraw/zinc/43/05/01/336430501.db2.gz UHOATLFCLXAWPX-SGZDXZSOSA-N 2 0 316.489 3.617 20 0 DHADRP CC1(C)C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C(C)(C)O1 ZINC000355772375 336521709 /nfs/dbraw/zinc/52/17/09/336521709.db2.gz KAJOSFICXOUOBK-GOSISDBHSA-N 2 0 316.489 3.718 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000356174533 336539299 /nfs/dbraw/zinc/53/92/99/336539299.db2.gz JNDHLGZYBKHLSQ-UHFFFAOYSA-N 2 0 304.503 3.658 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCCO2 ZINC000356825903 336562168 /nfs/dbraw/zinc/56/21/68/336562168.db2.gz AWURHMFBHKQBEC-SFHVURJKSA-N 2 0 316.489 3.839 20 0 DHADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc(-c2ccncc2)c1 ZINC000357087765 336573292 /nfs/dbraw/zinc/57/32/92/336573292.db2.gz SHXBPGQNVNNNLR-NRFANRHFSA-N 2 0 321.468 3.570 20 0 DHADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1(C)C ZINC000361237180 336745982 /nfs/dbraw/zinc/74/59/82/336745982.db2.gz IUHIHEQMANUMHX-ROUUACIJSA-N 2 0 322.468 3.569 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(OCC[NH+](C)C)c1 ZINC000120424223 336911863 /nfs/dbraw/zinc/91/18/63/336911863.db2.gz FQKBFCXNOBFMQG-MAUKXSAKSA-N 2 0 322.518 3.563 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000122301604 337003875 /nfs/dbraw/zinc/00/38/75/337003875.db2.gz VIYAHTQMVDBLHW-IBGZPJMESA-N 2 0 312.457 3.868 20 0 DHADRP CC/C=C/CC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000375485662 337011977 /nfs/dbraw/zinc/01/19/77/337011977.db2.gz HITAEIZEWQKSQD-SCYVGKGRSA-N 2 0 307.507 3.608 20 0 DHADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000375689536 337016592 /nfs/dbraw/zinc/01/65/92/337016592.db2.gz IESOZQSVBLIAHB-NLWGTHIKSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376417053 337032984 /nfs/dbraw/zinc/03/29/84/337032984.db2.gz WHADYQDDWVZCLD-UVHRUJRTSA-N 2 0 322.537 3.826 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000377763572 337060379 /nfs/dbraw/zinc/06/03/79/337060379.db2.gz RILJHZDSKWUFGC-WIYYLYMNSA-N 2 0 319.452 3.951 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C(C)(C)C ZINC000378440658 337072770 /nfs/dbraw/zinc/07/27/70/337072770.db2.gz DAOSDVQJLJSIAY-WBVHZDCISA-N 2 0 316.489 3.999 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000173950676 337137862 /nfs/dbraw/zinc/13/78/62/337137862.db2.gz URHGJGZYDMEETH-KRWDZBQOSA-N 2 0 309.457 3.705 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000178035096 337159934 /nfs/dbraw/zinc/15/99/34/337159934.db2.gz CPJZEYGUAQNCEK-LMMKCTJWSA-N 2 0 304.478 3.617 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)CC[N@@H+]1C ZINC000181016137 337179292 /nfs/dbraw/zinc/17/92/92/337179292.db2.gz SVRGVQFNJMVVPP-HOCLYGCPSA-N 2 0 321.534 3.806 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000582899011 337212730 /nfs/dbraw/zinc/21/27/30/337212730.db2.gz LMQSHNNHRGSWTP-RISCZKNCSA-N 2 0 311.267 3.587 20 0 DHADRP CN(CC[NH2+][C@H](c1cccs1)C1CC1)Cc1ccccc1 ZINC000395701302 337226950 /nfs/dbraw/zinc/22/69/50/337226950.db2.gz LKJMVWLFZGPHGT-SFHVURJKSA-N 2 0 300.471 3.921 20 0 DHADRP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000583172033 337252125 /nfs/dbraw/zinc/25/21/25/337252125.db2.gz QQJGKROWNJJTBK-FQEVSTJZSA-N 2 0 315.505 3.709 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192630184 337305877 /nfs/dbraw/zinc/30/58/77/337305877.db2.gz NPAUIZKIQFWVKN-MOPGFXCFSA-N 2 0 322.537 3.850 20 0 DHADRP COc1cc(C[NH2+]Cc2cnc3n2CCCC3)cc2ccccc21 ZINC000583303199 337312171 /nfs/dbraw/zinc/31/21/71/337312171.db2.gz DDXQSFWGPHHQIK-UHFFFAOYSA-N 2 0 321.424 3.671 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000583746882 337328527 /nfs/dbraw/zinc/32/85/27/337328527.db2.gz KOSPJEHZAUKMMW-ZDUSSCGKSA-N 2 0 314.395 3.616 20 0 DHADRP COCCN(C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000584497192 337350259 /nfs/dbraw/zinc/35/02/59/337350259.db2.gz MYIYTMXUZLFUGU-OAHLLOKOSA-N 2 0 318.486 3.644 20 0 DHADRP C[N@H+](Cc1ccccn1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726097 337386753 /nfs/dbraw/zinc/38/67/53/337386753.db2.gz DKPURPODFCBGAA-UHFFFAOYSA-N 2 0 323.484 3.816 20 0 DHADRP COC1(C[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCC1 ZINC000429356057 337431486 /nfs/dbraw/zinc/43/14/86/337431486.db2.gz ROMXENFUHDFNFR-KRWDZBQOSA-N 2 0 316.489 3.720 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420328636 337500230 /nfs/dbraw/zinc/50/02/30/337500230.db2.gz HYJPCTSBCGYSCB-YSGRDPCXSA-N 2 0 316.489 3.699 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)cc1 ZINC000421873747 337657721 /nfs/dbraw/zinc/65/77/21/337657721.db2.gz ICZHHJKTJRRHOT-SOAGJPPSSA-N 2 0 300.490 3.779 20 0 DHADRP CCCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422686435 337683304 /nfs/dbraw/zinc/68/33/04/337683304.db2.gz AEEPLBRBTDPJMV-HSALFYBXSA-N 2 0 316.489 3.624 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422704378 337683572 /nfs/dbraw/zinc/68/35/72/337683572.db2.gz KMIXEDQQFXJMFU-HNNXBMFYSA-N 2 0 311.473 3.786 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000422709497 337683753 /nfs/dbraw/zinc/68/37/53/337683753.db2.gz DQVBCQMQEVDNPX-HOCLYGCPSA-N 2 0 310.507 3.592 20 0 DHADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422779436 337686215 /nfs/dbraw/zinc/68/62/15/337686215.db2.gz ISMANSMAFYPVBZ-KBAYOESNSA-N 2 0 306.881 3.783 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422786317 337686615 /nfs/dbraw/zinc/68/66/15/337686615.db2.gz KTYQWVADXXCTHL-VDHUWJSZSA-N 2 0 304.503 3.678 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000422742474 337686623 /nfs/dbraw/zinc/68/66/23/337686623.db2.gz PWVNYUHTZRWEJK-MSOLQXFVSA-N 2 0 324.896 3.915 20 0 DHADRP CCc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422785575 337686642 /nfs/dbraw/zinc/68/66/42/337686642.db2.gz PLPCVYUXAZWKHP-TZIWHRDSSA-N 2 0 322.452 3.595 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422798029 337687083 /nfs/dbraw/zinc/68/70/83/337687083.db2.gz PLSYPQRHCNTKNM-BNEJOLLZSA-N 2 0 322.880 3.618 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCC1CCCC1 ZINC000422809289 337687621 /nfs/dbraw/zinc/68/76/21/337687621.db2.gz RSFQHDCUWNSTOJ-AZUAARDMSA-N 2 0 314.473 3.802 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@H](C)CCC[NH3+])c2)cc1 ZINC000422828545 337688174 /nfs/dbraw/zinc/68/81/74/337688174.db2.gz UBQXVRYDRREHCL-CYBMUJFWSA-N 2 0 304.459 3.641 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422825052 337688230 /nfs/dbraw/zinc/68/82/30/337688230.db2.gz PBDVVWWYYASXNT-QWHCGFSZSA-N 2 0 304.459 3.639 20 0 DHADRP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422837858 337688587 /nfs/dbraw/zinc/68/85/87/337688587.db2.gz VNEBCZDPOOJRRU-SLFFLAALSA-N 2 0 316.489 3.624 20 0 DHADRP CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422840522 337688660 /nfs/dbraw/zinc/68/86/60/337688660.db2.gz TWCHLABJPRDURB-OUCADQQQSA-N 2 0 318.383 3.578 20 0 DHADRP Fc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000422874342 337689483 /nfs/dbraw/zinc/68/94/83/337689483.db2.gz NKSXURNRLIJGEO-QDXKRRSBSA-N 2 0 302.437 3.930 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422878153 337689691 /nfs/dbraw/zinc/68/96/91/337689691.db2.gz SODJJZTWIZRBRM-CEXWTWQISA-N 2 0 316.489 3.793 20 0 DHADRP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000422890223 337690202 /nfs/dbraw/zinc/69/02/02/337690202.db2.gz ROGCMNVVONCLSZ-HZPDHXFCSA-N 2 0 311.473 3.747 20 0 DHADRP CCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422891037 337690222 /nfs/dbraw/zinc/69/02/22/337690222.db2.gz ULNFEFUIACAEDK-FXAWDEMLSA-N 2 0 314.473 3.802 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422904244 337690545 /nfs/dbraw/zinc/69/05/45/337690545.db2.gz GMLIMJHTJHWVHZ-NVXWUHKLSA-N 2 0 304.503 3.809 20 0 DHADRP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422908502 337690658 /nfs/dbraw/zinc/69/06/58/337690658.db2.gz MSKFZEZCTUIUCY-BRWVUGGUSA-N 2 0 321.534 3.675 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422908823 337690944 /nfs/dbraw/zinc/69/09/44/337690944.db2.gz ZMKSMWPSIFJZMR-BHYGNILZSA-N 2 0 316.420 3.891 20 0 DHADRP c1ccc(SC2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422909702 337691016 /nfs/dbraw/zinc/69/10/16/337691016.db2.gz OTQXKNMFYVWNBA-RCCFBDPRSA-N 2 0 316.514 3.822 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930742 337692106 /nfs/dbraw/zinc/69/21/06/337692106.db2.gz VSUZJNJUCLKWMD-RYUDHWBXSA-N 2 0 304.356 3.753 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000422934769 337692247 /nfs/dbraw/zinc/69/22/47/337692247.db2.gz JWCSJEJAEOGIOE-LBPRGKRZSA-N 2 0 301.459 3.521 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939430 337692570 /nfs/dbraw/zinc/69/25/70/337692570.db2.gz RMDCIIFFEKUCPN-XLIONFOSSA-N 2 0 324.468 3.710 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H](C)CSc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422945721 337692976 /nfs/dbraw/zinc/69/29/76/337692976.db2.gz NUTIDVQIYVLNLU-OAGGEKHMSA-N 2 0 322.518 3.544 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CCC(C(C)C)CC1 ZINC000422990238 337693769 /nfs/dbraw/zinc/69/37/69/337693769.db2.gz MYIIIKHJYZRKSI-OOHWJJMZSA-N 2 0 303.494 3.962 20 0 DHADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422988353 337693829 /nfs/dbraw/zinc/69/38/29/337693829.db2.gz IUNJSKPLKUKOBV-INWMFGNUSA-N 2 0 312.404 3.717 20 0 DHADRP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H](C)C3C[NH2+]C3)cc2)c1 ZINC000422954939 337694637 /nfs/dbraw/zinc/69/46/37/337694637.db2.gz IPJOTAHHYBCRLA-IRXDYDNUSA-N 2 0 324.468 3.833 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422959318 337694951 /nfs/dbraw/zinc/69/49/51/337694951.db2.gz RMZNBOSHFIGNFA-GFCCVEGCSA-N 2 0 300.368 3.802 20 0 DHADRP CC1CCC(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422974439 337695287 /nfs/dbraw/zinc/69/52/87/337695287.db2.gz QYLDLYLTNICOKC-JQGZUDLISA-N 2 0 314.473 3.658 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423056222 337697497 /nfs/dbraw/zinc/69/74/97/337697497.db2.gz XRQFAXWVVDAORL-GSEOLPGOSA-N 2 0 316.489 3.807 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423061072 337697865 /nfs/dbraw/zinc/69/78/65/337697865.db2.gz PYRJMNYUEUFPOA-ZDUSSCGKSA-N 2 0 315.486 3.563 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000423082905 337698626 /nfs/dbraw/zinc/69/86/26/337698626.db2.gz FDNYLVSSYMRMIH-UHFFFAOYSA-N 2 0 302.393 3.693 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423083257 337698635 /nfs/dbraw/zinc/69/86/35/337698635.db2.gz YLUGCBLTKCFPRC-RSPOEFSDSA-N 2 0 316.489 3.665 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423105087 337699665 /nfs/dbraw/zinc/69/96/65/337699665.db2.gz NBPSUZHEJLYHSI-GDZNZVCISA-N 2 0 310.869 3.523 20 0 DHADRP CC(C)(C)C(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423120964 337700475 /nfs/dbraw/zinc/70/04/75/337700475.db2.gz ADAUBDUSAOJQLJ-OXQOHEQNSA-N 2 0 316.489 3.904 20 0 DHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC000423128946 337700951 /nfs/dbraw/zinc/70/09/51/337700951.db2.gz LKEQDTVABXAMRV-RYGJVYDSSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423136484 337701160 /nfs/dbraw/zinc/70/11/60/337701160.db2.gz PGAYZZKYMMPXSU-BMFZPTHFSA-N 2 0 314.395 3.700 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423164631 337702122 /nfs/dbraw/zinc/70/21/22/337702122.db2.gz XGZIMLBYIBROBU-BPJJOFIESA-N 2 0 311.267 3.569 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423170253 337702235 /nfs/dbraw/zinc/70/22/35/337702235.db2.gz XPZFOFGDMKHRIE-AAJLLMFJSA-N 2 0 306.881 3.954 20 0 DHADRP Clc1cccc([C@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423169217 337702313 /nfs/dbraw/zinc/70/23/13/337702313.db2.gz VRVIYJJAVGIFCX-FRYFRDGCSA-N 2 0 304.865 3.849 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423245072 337706921 /nfs/dbraw/zinc/70/69/21/337706921.db2.gz INALZOLNBWJRGZ-DLBZAZTESA-N 2 0 304.478 3.762 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423251350 337707375 /nfs/dbraw/zinc/70/73/75/337707375.db2.gz RUSZSWQMXIEHSR-ZFWWWQNUSA-N 2 0 315.486 3.769 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423253090 337707575 /nfs/dbraw/zinc/70/75/75/337707575.db2.gz VCAKKPAWBDFCMX-SOLBZPMBSA-N 2 0 306.881 3.640 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]CC[C@H]3CC[NH2+]C3)cs2)cs1 ZINC000423254554 337707666 /nfs/dbraw/zinc/70/76/66/337707666.db2.gz YLSKGHBYNGNHNC-WCQYABFASA-N 2 0 321.515 3.830 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423257347 337707672 /nfs/dbraw/zinc/70/76/72/337707672.db2.gz IYBAAATXODQMNG-TZMCWYRMSA-N 2 0 309.523 3.789 20 0 DHADRP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254839 337707722 /nfs/dbraw/zinc/70/77/22/337707722.db2.gz ZRVZVDUMSWISAL-CJNGLKHVSA-N 2 0 300.471 3.868 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423256288 337707733 /nfs/dbraw/zinc/70/77/33/337707733.db2.gz DVIAFTGWMXWAGX-XJKSGUPXSA-N 2 0 312.404 3.718 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423255327 337707766 /nfs/dbraw/zinc/70/77/66/337707766.db2.gz BRIBDZFSRUVMIO-CJNGLKHVSA-N 2 0 308.853 3.533 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423262149 337708018 /nfs/dbraw/zinc/70/80/18/337708018.db2.gz UPYBIJVOXNLPIU-IRXDYDNUSA-N 2 0 309.457 3.789 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423278744 337709010 /nfs/dbraw/zinc/70/90/10/337709010.db2.gz QMZMNUQOPBHOKX-IMJJTQAJSA-N 2 0 315.486 3.978 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)cc1 ZINC000423290905 337710029 /nfs/dbraw/zinc/71/00/29/337710029.db2.gz FWSXDBQWXSTTTB-QWRGUYRKSA-N 2 0 308.347 3.974 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423297904 337710896 /nfs/dbraw/zinc/71/08/96/337710896.db2.gz MKHJTCXYTVNSGV-MNOVXSKESA-N 2 0 307.438 3.503 20 0 DHADRP Clc1ccccc1CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423298743 337710960 /nfs/dbraw/zinc/71/09/60/337710960.db2.gz AEBMNOBCZDHCFB-IBGZPJMESA-N 2 0 314.860 3.823 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423300606 337711044 /nfs/dbraw/zinc/71/10/44/337711044.db2.gz SASVODMWLFRKKG-FZMZJTMJSA-N 2 0 319.449 3.511 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423300140 337711147 /nfs/dbraw/zinc/71/11/47/337711147.db2.gz QWPBUZWSWOVEPF-QWRGUYRKSA-N 2 0 306.397 3.586 20 0 DHADRP [NH3+]CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423319396 337711868 /nfs/dbraw/zinc/71/18/68/337711868.db2.gz FDZCXCHYTWAMRI-QGZVFWFLSA-N 2 0 306.812 3.897 20 0 DHADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423326825 337712159 /nfs/dbraw/zinc/71/21/59/337712159.db2.gz REPCXHBGVJRGLM-LBPRGKRZSA-N 2 0 302.368 3.502 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423342384 337713038 /nfs/dbraw/zinc/71/30/38/337713038.db2.gz KWHCXNBUENTZSD-CYBMUJFWSA-N 2 0 312.379 3.536 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCS2 ZINC000423351612 337713568 /nfs/dbraw/zinc/71/35/68/337713568.db2.gz ZJEQUZLDHFTRGJ-AEFFLSMTSA-N 2 0 304.503 3.820 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C[C@@H]3C)cs2)cs1 ZINC000423362526 337714586 /nfs/dbraw/zinc/71/45/86/337714586.db2.gz BDCRVSNSMZYOIL-MJVIPROJSA-N 2 0 321.515 3.829 20 0 DHADRP COCC1(C[NH2+][C@@H](CC(C)C)c2ccccc2C)CC[NH2+]CC1 ZINC000423407174 337716018 /nfs/dbraw/zinc/71/60/18/337716018.db2.gz LUKYDUFWELDPDO-IBGZPJMESA-N 2 0 318.505 3.688 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OC)c(OC)c1 ZINC000423417251 337716712 /nfs/dbraw/zinc/71/67/12/337716712.db2.gz FFEXURQEKIIKBZ-ZOBUZTSGSA-N 2 0 320.477 3.510 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423424618 337716972 /nfs/dbraw/zinc/71/69/72/337716972.db2.gz FZCZOVIFZQGOGH-RDBSUJKOSA-N 2 0 305.491 3.895 20 0 DHADRP Clc1ccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)cc1 ZINC000423427574 337717103 /nfs/dbraw/zinc/71/71/03/337717103.db2.gz FYWFWLUXIASRNN-DSLXNQLJSA-N 2 0 318.892 3.954 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423378021 337717436 /nfs/dbraw/zinc/71/74/36/337717436.db2.gz LYTMBAIQOSVFMW-YQQAZPJKSA-N 2 0 320.477 3.665 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423435545 337718973 /nfs/dbraw/zinc/71/89/73/337718973.db2.gz OVOYEHDATLDRBG-QWRGUYRKSA-N 2 0 317.246 3.756 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1Cl ZINC000423446447 337719671 /nfs/dbraw/zinc/71/96/71/337719671.db2.gz CPWLNLJIYNIZRZ-LSDHHAIUSA-N 2 0 312.885 3.913 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423451616 337720050 /nfs/dbraw/zinc/72/00/50/337720050.db2.gz YINIHTQTRHYYMX-BYCMXARLSA-N 2 0 321.534 3.788 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)c(C)c2c1 ZINC000423467404 337720946 /nfs/dbraw/zinc/72/09/46/337720946.db2.gz IVESWBGDKDEGGJ-KKUMJFAQSA-N 2 0 316.445 3.918 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000423469641 337721015 /nfs/dbraw/zinc/72/10/15/337721015.db2.gz CWADBTLWAXZUTP-OXQOHEQNSA-N 2 0 309.457 3.931 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423469760 337721093 /nfs/dbraw/zinc/72/10/93/337721093.db2.gz VUIRWUDSGXXOPY-YUTCNCBUSA-N 2 0 309.523 3.917 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CCC[C@@H]3CCC[NH2+]3)c(C)c2c1 ZINC000423474828 337721457 /nfs/dbraw/zinc/72/14/57/337721457.db2.gz HQTNSKSYEOPKRG-LSDHHAIUSA-N 2 0 316.445 3.933 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000423484826 337722122 /nfs/dbraw/zinc/72/21/22/337722122.db2.gz AISVMZUFVLHFQX-NHCYSSNCSA-N 2 0 318.795 3.719 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)cs1 ZINC000423491460 337722622 /nfs/dbraw/zinc/72/26/22/337722622.db2.gz ZBRODNJRONVHTL-PWSUYJOCSA-N 2 0 317.296 3.693 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000423491849 337722692 /nfs/dbraw/zinc/72/26/92/337722692.db2.gz KQZJFJVYIDZXNP-KYOSRNDESA-N 2 0 310.894 3.984 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000423493245 337722727 /nfs/dbraw/zinc/72/27/27/337722727.db2.gz PSDACKWUYUTGMJ-MBGYTDRXSA-N 2 0 320.452 3.578 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423501591 337723341 /nfs/dbraw/zinc/72/33/41/337723341.db2.gz CXNRNPNNMFIGJB-OALUTQOASA-N 2 0 310.441 3.839 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cnn1C(C)C ZINC000423511590 337724020 /nfs/dbraw/zinc/72/40/20/337724020.db2.gz NQVNMHNJAPIEER-BEFAXECRSA-N 2 0 314.477 3.903 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCC3=CC[NH2+]CC3)oc21 ZINC000423535878 337724836 /nfs/dbraw/zinc/72/48/36/337724836.db2.gz FUKRCJGZQHEXKM-CQSZACIVSA-N 2 0 314.429 3.792 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]CCC3=CC[NH2+]CC3)C2)c1 ZINC000423536076 337724902 /nfs/dbraw/zinc/72/49/02/337724902.db2.gz GKOYKHWOCQBQLP-AEFFLSMTSA-N 2 0 304.865 3.876 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423537155 337725027 /nfs/dbraw/zinc/72/50/27/337725027.db2.gz BVVZBQBEBJCCKR-DZOHQFGASA-N 2 0 302.462 3.514 20 0 DHADRP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538198 337725059 /nfs/dbraw/zinc/72/50/59/337725059.db2.gz MFWRGTVUSSMJOQ-INIZCTEOSA-N 2 0 311.256 3.880 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539868 337725073 /nfs/dbraw/zinc/72/50/73/337725073.db2.gz PMNOGWZWTFLEGH-CYBMUJFWSA-N 2 0 312.379 3.536 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(OC(F)F)cc1 ZINC000423538966 337725138 /nfs/dbraw/zinc/72/51/38/337725138.db2.gz HKZYONCIBNLCIA-ANQUJSFKSA-N 2 0 324.415 3.717 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCCO2 ZINC000423545924 337725276 /nfs/dbraw/zinc/72/52/76/337725276.db2.gz POTCVJYQOQKQBQ-TZDHZFECSA-N 2 0 320.864 3.531 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423550198 337725395 /nfs/dbraw/zinc/72/53/95/337725395.db2.gz SOSXZEHELFRZGG-TTZDDIAXSA-N 2 0 322.880 3.777 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000536832065 337734616 /nfs/dbraw/zinc/73/46/16/337734616.db2.gz ISSPIJASMIRQMF-DAWZGUTISA-N 2 0 322.537 3.965 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc3cc[nH]c3c2)ccc1F ZINC000527662787 337756885 /nfs/dbraw/zinc/75/68/85/337756885.db2.gz SCVGERUKVFQTNZ-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000121758310 337898698 /nfs/dbraw/zinc/89/86/98/337898698.db2.gz PWDFRABRUMYYEO-SJORKVTESA-N 2 0 318.505 3.899 20 0 DHADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093405336 337916533 /nfs/dbraw/zinc/91/65/33/337916533.db2.gz WFSYRBDBQKYOSK-SFHVURJKSA-N 2 0 304.478 3.776 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000515013573 337977657 /nfs/dbraw/zinc/97/76/57/337977657.db2.gz ITBDMDOGHNJXCW-OXJNMPFZSA-N 2 0 324.468 3.965 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000426318842 338026789 /nfs/dbraw/zinc/02/67/89/338026789.db2.gz SQPBEVKSMDZHQB-MSOLQXFVSA-N 2 0 300.490 3.797 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428861414 338062834 /nfs/dbraw/zinc/06/28/34/338062834.db2.gz JVSWIOVVQJQWJE-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CCCSCc2ccccc2)CC1 ZINC000429553214 338083701 /nfs/dbraw/zinc/08/37/01/338083701.db2.gz NCUWNHVCWYPYED-SFHVURJKSA-N 2 0 306.519 3.726 20 0 DHADRP CC(C)C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430139417 338098653 /nfs/dbraw/zinc/09/86/53/338098653.db2.gz PTBCONMNJLJMCB-VQTJNVASSA-N 2 0 300.490 3.844 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000430157971 338099474 /nfs/dbraw/zinc/09/94/74/338099474.db2.gz SJPJSRBDMJYVQP-WMZOPIPTSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)CCOc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430163506 338099594 /nfs/dbraw/zinc/09/95/94/338099594.db2.gz LQSWIYKXPBYHFL-HXUWFJFHSA-N 2 0 316.489 3.639 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430586179 338109293 /nfs/dbraw/zinc/10/92/93/338109293.db2.gz VKMNKFPNJDLXSG-VQIMIIECSA-N 2 0 312.457 3.668 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)C1 ZINC000431347774 338128838 /nfs/dbraw/zinc/12/88/38/338128838.db2.gz HNGMHDSCZIYECL-QFBILLFUSA-N 2 0 316.489 3.955 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)s1 ZINC000432418691 338155724 /nfs/dbraw/zinc/15/57/24/338155724.db2.gz UPUWNBAFXALZJD-DZGCQCFKSA-N 2 0 310.507 3.516 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CCC2)cc1C ZINC000433080494 338180779 /nfs/dbraw/zinc/18/07/79/338180779.db2.gz CQEQQEDJQMNEIK-HKUYNNGSSA-N 2 0 300.490 3.655 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000152509512 338206085 /nfs/dbraw/zinc/20/60/85/338206085.db2.gz RPXIDRBUXZYEQP-GJZGRUSLSA-N 2 0 310.457 3.995 20 0 DHADRP CC[N@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435393812 338238807 /nfs/dbraw/zinc/23/88/07/338238807.db2.gz KXQKDYRMXDGGHR-KRWDZBQOSA-N 2 0 317.864 3.852 20 0 DHADRP Cc1cccn2c(C[NH2+][C@H]3C[C@H](c4ccccc4F)C3)cnc12 ZINC000435783740 338248935 /nfs/dbraw/zinc/24/89/35/338248935.db2.gz ZEXVNJQJQLQDGA-SHTZXODSSA-N 2 0 309.388 3.818 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436226499 338262365 /nfs/dbraw/zinc/26/23/65/338262365.db2.gz IMVGZAMOUFRZSJ-WOJBJXKFSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000438088959 338330800 /nfs/dbraw/zinc/33/08/00/338330800.db2.gz SHXNGUIIDRLDQH-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438117487 338333058 /nfs/dbraw/zinc/33/30/58/338333058.db2.gz VSABBBDNRLSJLJ-VQTJNVASSA-N 2 0 300.490 3.770 20 0 DHADRP CC[C@@H](F)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440793820 338397720 /nfs/dbraw/zinc/39/77/20/338397720.db2.gz ATZQJVXPVNEXOF-MOPGFXCFSA-N 2 0 304.453 3.723 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447576089 338558283 /nfs/dbraw/zinc/55/82/83/338558283.db2.gz ALHWMLYDLMGIQW-VLIAUNLRSA-N 2 0 316.464 3.913 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CCC1CC[NH+](C)CC1 ZINC000449131639 338595831 /nfs/dbraw/zinc/59/58/31/338595831.db2.gz OMPBMKICXOLSQG-HNNXBMFYSA-N 2 0 300.446 3.685 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000449182101 338600032 /nfs/dbraw/zinc/60/00/32/338600032.db2.gz BXSGIGVNGWVHLT-SLFFLAALSA-N 2 0 322.537 3.703 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCc2ccncc2)CC1 ZINC000449194759 338601274 /nfs/dbraw/zinc/60/12/74/338601274.db2.gz YEANGJRDDSYITP-UHFFFAOYSA-N 2 0 317.521 3.893 20 0 DHADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000449250044 338606727 /nfs/dbraw/zinc/60/67/27/338606727.db2.gz KRHXTBUROKGDIA-GPMSIDNRSA-N 2 0 301.478 3.712 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000450261597 338673858 /nfs/dbraw/zinc/67/38/58/338673858.db2.gz JBMYYVIPTJNVDK-UHFFFAOYSA-N 2 0 316.489 3.703 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)C[NH+]1CCCCC1 ZINC000453061231 338788975 /nfs/dbraw/zinc/78/89/75/338788975.db2.gz NLRWXGGBBGBAPD-MSOLQXFVSA-N 2 0 303.494 3.504 20 0 DHADRP Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459418154 339028110 /nfs/dbraw/zinc/02/81/10/339028110.db2.gz ILERWEFBNJKKPL-GOSISDBHSA-N 2 0 323.484 3.888 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459658538 339041080 /nfs/dbraw/zinc/04/10/80/339041080.db2.gz KVDZKGGOLGVRCU-ZWKOTPCHSA-N 2 0 320.440 3.854 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728066 339044651 /nfs/dbraw/zinc/04/46/51/339044651.db2.gz CPCKIBKUKCNALC-AWEZNQCLSA-N 2 0 310.869 3.560 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000459792595 339048694 /nfs/dbraw/zinc/04/86/94/339048694.db2.gz SQZUZYFOEIFIJW-LZQZEXGQSA-N 2 0 304.453 3.783 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000462774906 339088038 /nfs/dbraw/zinc/08/80/38/339088038.db2.gz PIVGASCQINFHQQ-AEFFLSMTSA-N 2 0 304.478 3.685 20 0 DHADRP CCC1CCC([NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000462776929 339088086 /nfs/dbraw/zinc/08/80/86/339088086.db2.gz SOIOMBLNCAXZNN-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463278335 339112889 /nfs/dbraw/zinc/11/28/89/339112889.db2.gz VNVPCWWXUIFEQJ-IIAWOOMASA-N 2 0 314.395 3.970 20 0 DHADRP C(CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)CC[NH+]1CCCCC1 ZINC000464076802 339133362 /nfs/dbraw/zinc/13/33/62/339133362.db2.gz PTZJQCKJHIPMLJ-HSALFYBXSA-N 2 0 322.537 3.828 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464081827 339133561 /nfs/dbraw/zinc/13/35/61/339133561.db2.gz KQQRBNAGFFVZMY-MOPGFXCFSA-N 2 0 300.490 3.890 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000467342331 339232637 /nfs/dbraw/zinc/23/26/37/339232637.db2.gz SVUKEIXIXOEOFL-CEXWTWQISA-N 2 0 315.505 3.738 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000467369898 339234654 /nfs/dbraw/zinc/23/46/54/339234654.db2.gz MVHODZOTSSREQC-AEFFLSMTSA-N 2 0 322.468 3.778 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000467389586 339236340 /nfs/dbraw/zinc/23/63/40/339236340.db2.gz LDISHDHCCXRHSN-KDOFPFPSSA-N 2 0 320.452 3.533 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC1CCOCC1 ZINC000468553074 339266126 /nfs/dbraw/zinc/26/61/26/339266126.db2.gz JJKGKHRMJQZMMX-NZSAHSFTSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CCN1C ZINC000468556889 339266409 /nfs/dbraw/zinc/26/64/09/339266409.db2.gz XCTMLMJLUGMCDV-VBSBHUPXSA-N 2 0 300.490 3.860 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@@H](C)C1 ZINC000468801021 339271240 /nfs/dbraw/zinc/27/12/40/339271240.db2.gz BRZBZTRBRVHKLM-HKUYNNGSSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCc2ccccc2F)C1 ZINC000468910109 339274482 /nfs/dbraw/zinc/27/44/82/339274482.db2.gz HAYALEFSKBWEDU-MSOLQXFVSA-N 2 0 318.480 3.955 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000469041983 339278484 /nfs/dbraw/zinc/27/84/84/339278484.db2.gz NVLXTWDVIXYJPE-LCLWPZTBSA-N 2 0 302.506 3.820 20 0 DHADRP CCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000469776541 339299038 /nfs/dbraw/zinc/29/90/38/339299038.db2.gz RFHURGMEDPORTR-QFBILLFUSA-N 2 0 300.490 3.992 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469803121 339301239 /nfs/dbraw/zinc/30/12/39/339301239.db2.gz ZDXGGVWHGBSWBR-IUODEOHRSA-N 2 0 312.860 3.687 20 0 DHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000469857216 339302891 /nfs/dbraw/zinc/30/28/91/339302891.db2.gz SLGVESJXSQEIMT-CHWSQXEVSA-N 2 0 304.434 3.723 20 0 DHADRP Fc1ccccc1CC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000469880695 339303655 /nfs/dbraw/zinc/30/36/55/339303655.db2.gz MPAGVVNSKMFNBX-INIZCTEOSA-N 2 0 304.453 3.612 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000471218208 339340164 /nfs/dbraw/zinc/34/01/64/339340164.db2.gz BBGFIBJQQIQCKI-CRAIPNDOSA-N 2 0 308.897 3.935 20 0 DHADRP CCC(O)(CC)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000471790605 339354160 /nfs/dbraw/zinc/35/41/60/339354160.db2.gz UCCGTNXGFGPGBC-WMZOPIPTSA-N 2 0 310.526 3.560 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000474052849 339399351 /nfs/dbraw/zinc/39/93/51/339399351.db2.gz NMNRQYVPUAENFK-GUDVDZBRSA-N 2 0 310.526 3.683 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000474057182 339399765 /nfs/dbraw/zinc/39/97/65/339399765.db2.gz ORCHBCSNRXVHHF-IBGZPJMESA-N 2 0 316.489 3.830 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474634222 339421123 /nfs/dbraw/zinc/42/11/23/339421123.db2.gz WCPUOUAHONQRTJ-FRRDWIJNSA-N 2 0 300.899 3.825 20 0 DHADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475553581 339454851 /nfs/dbraw/zinc/45/48/51/339454851.db2.gz YSHJTHDNTWSDNU-XEVCZEQESA-N 2 0 300.490 3.923 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C(C)C ZINC000480261383 339565894 /nfs/dbraw/zinc/56/58/94/339565894.db2.gz HNODFUHZDVRHFX-HXUWFJFHSA-N 2 0 318.505 3.679 20 0 DHADRP CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000480538421 339576588 /nfs/dbraw/zinc/57/65/88/339576588.db2.gz SCEBYTVKALQGMT-PMACEKPBSA-N 2 0 323.569 3.597 20 0 DHADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000480711367 339584295 /nfs/dbraw/zinc/58/42/95/339584295.db2.gz AGUFRIOFWIYWIL-HNNXBMFYSA-N 2 0 315.461 3.943 20 0 DHADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C[C@H]2CCSC2)c1 ZINC000487261898 339747793 /nfs/dbraw/zinc/74/77/93/339747793.db2.gz JXAJBPKPFRLWBV-QGZVFWFLSA-N 2 0 318.530 3.905 20 0 DHADRP CCCc1csc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000494311257 339946271 /nfs/dbraw/zinc/94/62/71/339946271.db2.gz MGQKMGGKOKGYBC-HZPDHXFCSA-N 2 0 323.550 3.943 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000494890746 339963764 /nfs/dbraw/zinc/96/37/64/339963764.db2.gz GFTRIGHMYYMRJV-QFBILLFUSA-N 2 0 322.468 3.615 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000500387685 340056303 /nfs/dbraw/zinc/05/63/03/340056303.db2.gz WVRYVFDIXDVMMT-OKZBNKHCSA-N 2 0 318.505 3.546 20 0 DHADRP CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000501023507 340072603 /nfs/dbraw/zinc/07/26/03/340072603.db2.gz MTMVGRVBPBULDN-CVEARBPZSA-N 2 0 321.484 3.807 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000501416398 340080448 /nfs/dbraw/zinc/08/04/48/340080448.db2.gz DOWRCFNHCSSTCW-MSOLQXFVSA-N 2 0 318.505 3.822 20 0 DHADRP CCc1cc(OC)ccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000501426993 340080828 /nfs/dbraw/zinc/08/08/28/340080828.db2.gz XAZXPNSAQBSCRO-UHFFFAOYSA-N 2 0 304.478 3.656 20 0 DHADRP COc1ccc(C)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501791760 340088915 /nfs/dbraw/zinc/08/89/15/340088915.db2.gz BTRHBXLODUCGKE-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501876509 340089963 /nfs/dbraw/zinc/08/99/63/340089963.db2.gz NWOKJPHQSJOCDB-WOJBJXKFSA-N 2 0 323.569 3.597 20 0 DHADRP Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)c2ccccc2[nH+]1 ZINC000502108881 340095416 /nfs/dbraw/zinc/09/54/16/340095416.db2.gz HFXTXNJCWCGZPB-GOSISDBHSA-N 2 0 311.454 3.741 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000502389238 340101359 /nfs/dbraw/zinc/10/13/59/340101359.db2.gz GPHBHUTUPKLNAP-YTQUADARSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073002 340120256 /nfs/dbraw/zinc/12/02/56/340120256.db2.gz FRCMUASFKHNQSL-GOSISDBHSA-N 2 0 310.441 3.789 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073103 340120327 /nfs/dbraw/zinc/12/03/27/340120327.db2.gz MVWIIJMVSLGYPA-UXHICEINSA-N 2 0 312.432 3.989 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072586 340120355 /nfs/dbraw/zinc/12/03/55/340120355.db2.gz BZTBACBYGXVSNR-CRAIPNDOSA-N 2 0 308.416 3.976 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080264 340120426 /nfs/dbraw/zinc/12/04/26/340120426.db2.gz KABBLUCGZDZUGH-CRAIPNDOSA-N 2 0 313.445 3.646 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000503081930 340120703 /nfs/dbraw/zinc/12/07/03/340120703.db2.gz UJOYGUJWQZCQFG-VQTJNVASSA-N 2 0 300.490 3.816 20 0 DHADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000503561424 340130741 /nfs/dbraw/zinc/13/07/41/340130741.db2.gz CHFNNBBDQMNUDG-HZPDHXFCSA-N 2 0 324.896 3.627 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400988918 340159607 /nfs/dbraw/zinc/15/96/07/340159607.db2.gz WWQZDMCCDSWXIK-LEUOFYLZSA-N 2 0 302.462 3.513 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000506201074 340188494 /nfs/dbraw/zinc/18/84/94/340188494.db2.gz ATTQEXKUWYPCPS-SFHVURJKSA-N 2 0 304.865 3.791 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000506866064 340203079 /nfs/dbraw/zinc/20/30/79/340203079.db2.gz HTQZNIMAGBOOES-YJBOKZPZSA-N 2 0 304.478 3.957 20 0 DHADRP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)C ZINC000507135505 340209071 /nfs/dbraw/zinc/20/90/71/340209071.db2.gz SHTPJKGHUGMFIX-UHFFFAOYSA-N 2 0 317.521 3.695 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000507439960 340219576 /nfs/dbraw/zinc/21/95/76/340219576.db2.gz DPLXVYBTQWTHEH-ROUUACIJSA-N 2 0 304.453 3.783 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507447440 340220021 /nfs/dbraw/zinc/22/00/21/340220021.db2.gz HTOWBJHZZFSCAN-RDTXWAMCSA-N 2 0 304.453 3.771 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000507467590 340220937 /nfs/dbraw/zinc/22/09/37/340220937.db2.gz GBBZZXQMRGUXHD-IAGOWNOFSA-N 2 0 303.494 3.949 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000402549433 340242226 /nfs/dbraw/zinc/24/22/26/340242226.db2.gz DNHBCPBIXRXGEN-LJISPDSOSA-N 2 0 306.416 3.865 20 0 DHADRP CC[N@H+](C)C[C@H]1CCN(C/C(C)=C/c2ccccc2COC)C1 ZINC000508860984 340254436 /nfs/dbraw/zinc/25/44/36/340254436.db2.gz TWATZLLBWBKTQA-XCMFGDQWSA-N 2 0 316.489 3.510 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000509133598 340261900 /nfs/dbraw/zinc/26/19/00/340261900.db2.gz AOPMFIYSLUBJKD-YJBOKZPZSA-N 2 0 306.469 3.797 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509924183 340282874 /nfs/dbraw/zinc/28/28/74/340282874.db2.gz CIQJFUZHDMVZFF-FGTMMUONSA-N 2 0 318.505 3.671 20 0 DHADRP CC1(C)CC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC(C)(C)[NH2+]1 ZINC000510207636 340292512 /nfs/dbraw/zinc/29/25/12/340292512.db2.gz LETRCVQMFCTMDC-AATRIKPKSA-N 2 0 308.416 3.877 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)CC[NH+](C)C ZINC000510651780 340305104 /nfs/dbraw/zinc/30/51/04/340305104.db2.gz NURMGCBKJJTKLW-ZIAGYGMSSA-N 2 0 316.411 3.956 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510672809 340305937 /nfs/dbraw/zinc/30/59/37/340305937.db2.gz WTJRWGGHDLGQHN-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]CCC[NH+](C)C)ccc1Cl ZINC000510752386 340309608 /nfs/dbraw/zinc/30/96/08/340309608.db2.gz KHDAKJDUYAGXSA-OAHLLOKOSA-N 2 0 312.885 3.737 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]CCC[NH+](C)C)ccc1Cl ZINC000510752385 340309646 /nfs/dbraw/zinc/30/96/46/340309646.db2.gz KHDAKJDUYAGXSA-HNNXBMFYSA-N 2 0 312.885 3.737 20 0 DHADRP Cc1cc(C)cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000303218507 340313433 /nfs/dbraw/zinc/31/34/33/340313433.db2.gz UPXCFZNISKXOBZ-OAQYLSRUSA-N 2 0 322.496 3.958 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000511051341 340319494 /nfs/dbraw/zinc/31/94/94/340319494.db2.gz VVYZZNGOVNGWMX-AWEZNQCLSA-N 2 0 310.432 3.607 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512082357 340347965 /nfs/dbraw/zinc/34/79/65/340347965.db2.gz IRJUCSKETZSWQF-OICCZTGUSA-N 2 0 308.416 3.688 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000512963147 340385820 /nfs/dbraw/zinc/38/58/20/340385820.db2.gz AFZWKIPYFKUOTN-PKOBYXMFSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1ccc(C)c(OCCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000513153319 340395375 /nfs/dbraw/zinc/39/53/75/340395375.db2.gz ITYBTOPBRAPVJC-DFNIBXOVSA-N 2 0 316.489 3.629 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(O)CCCCCC3)CC2)C1 ZINC000513207682 340397230 /nfs/dbraw/zinc/39/72/30/340397230.db2.gz DIOOSQYPZIONTO-IEBWSBKVSA-N 2 0 322.537 3.704 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191311659 340552716 /nfs/dbraw/zinc/55/27/16/340552716.db2.gz WWWVVKZUYPPEMS-OAHLLOKOSA-N 2 0 306.498 3.545 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000530207166 340782569 /nfs/dbraw/zinc/78/25/69/340782569.db2.gz CCDLQTSJGQAMTI-UTWWYPAYSA-N 2 0 323.278 3.569 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CCc2ccccc2CC1 ZINC000530214283 340782664 /nfs/dbraw/zinc/78/26/64/340782664.db2.gz XBWKTWAXWIZZJR-HNNXBMFYSA-N 2 0 323.484 3.695 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cncs2)cc1 ZINC000128683901 340906918 /nfs/dbraw/zinc/90/69/18/340906918.db2.gz LVIDGMIGWNEDBR-CQSZACIVSA-N 2 0 303.475 3.836 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540153900 340917837 /nfs/dbraw/zinc/91/78/37/340917837.db2.gz ROTHPZCZUIOGLP-DOTOQJQBSA-N 2 0 304.478 3.856 20 0 DHADRP CCCC1(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000540160055 340918895 /nfs/dbraw/zinc/91/88/95/340918895.db2.gz RWCUZQIUANMPDT-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CCc1cnc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000130197511 341005996 /nfs/dbraw/zinc/00/59/96/341005996.db2.gz DBIMSOSZVVJWNQ-UHFFFAOYSA-N 2 0 321.534 3.635 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)[C@@H](C)C1 ZINC000542474305 341009002 /nfs/dbraw/zinc/00/90/02/341009002.db2.gz BAVHYUGMLKESHF-FKSLSLAPSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCCCS3)CC2)C1 ZINC000542485312 341009674 /nfs/dbraw/zinc/00/96/74/341009674.db2.gz CHRBTZBCAOERCZ-BPQIPLTHSA-N 2 0 310.551 3.905 20 0 DHADRP COC1CCC(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000542694082 341017483 /nfs/dbraw/zinc/01/74/83/341017483.db2.gz LJRZXRHAXKVKTR-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCn2c3ccccc3c3ccccc32)CC[N@@H+]1C ZINC000543427629 341044057 /nfs/dbraw/zinc/04/40/57/341044057.db2.gz QNOCULXRPLIWFZ-IAGOWNOFSA-N 2 0 321.468 3.867 20 0 DHADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)Cc1ccccc1 ZINC000543447395 341045183 /nfs/dbraw/zinc/04/51/83/341045183.db2.gz HPLBQQGLRZCWCT-RTBURBONSA-N 2 0 302.506 3.967 20 0 DHADRP c1ccc2c(c1)CC[C@@H](C[NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC000543842184 341061323 /nfs/dbraw/zinc/06/13/23/341061323.db2.gz BGGPSYSMGPFQLK-GOSISDBHSA-N 2 0 312.501 3.742 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000543873046 341062245 /nfs/dbraw/zinc/06/22/45/341062245.db2.gz LOOMCROSHPBKRS-HXUWFJFHSA-N 3 0 323.569 3.695 20 0 DHADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000131402144 341084688 /nfs/dbraw/zinc/08/46/88/341084688.db2.gz HFQCWKMAHNEWQL-FQEVSTJZSA-N 2 0 316.489 3.761 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000546166898 341155571 /nfs/dbraw/zinc/15/55/71/341155571.db2.gz SVJWCFOLJGNZIG-RDTXWAMCSA-N 2 0 324.896 3.880 20 0 DHADRP CCSCC[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000547009974 341191419 /nfs/dbraw/zinc/19/14/19/341191419.db2.gz BHSFAMAINDAENY-UHFFFAOYSA-N 2 0 306.519 3.905 20 0 DHADRP Fc1ccc2oc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000134187457 341208721 /nfs/dbraw/zinc/20/87/21/341208721.db2.gz KYQUXMUWFJDAIL-UHFFFAOYSA-N 2 0 316.420 3.880 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000548400829 341258867 /nfs/dbraw/zinc/25/88/67/341258867.db2.gz SDCVPLSXCSHKKX-FDYSRKEFSA-N 2 0 300.490 3.844 20 0 DHADRP C[N@@H+]1CCC[C@]2(CCN(c3ccnc4cc(Cl)ccc43)C2)C1 ZINC000549577128 341298162 /nfs/dbraw/zinc/29/81/62/341298162.db2.gz IDJAFGCBQWQTJX-SFHVURJKSA-N 2 0 315.848 3.810 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000245599826 341304492 /nfs/dbraw/zinc/30/44/92/341304492.db2.gz OLLCPWCEAFRYGU-YOEHRIQHSA-N 2 0 306.881 3.692 20 0 DHADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839925 341304752 /nfs/dbraw/zinc/30/47/52/341304752.db2.gz DDNCMXYRJRACQT-INIZCTEOSA-N 2 0 313.272 3.911 20 0 DHADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1Cl ZINC000550263319 341313798 /nfs/dbraw/zinc/31/37/98/341313798.db2.gz YGJVJNUZGQYSNH-UHFFFAOYSA-N 2 0 310.869 3.704 20 0 DHADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275046 341314197 /nfs/dbraw/zinc/31/41/97/341314197.db2.gz OKTNYHNWNZSYTQ-KTMIJUKYSA-N 2 0 313.272 3.637 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000550818339 341323564 /nfs/dbraw/zinc/32/35/64/341323564.db2.gz LEMVHNMMLVXZAC-DFQSSKMNSA-N 2 0 317.521 3.532 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000550823716 341323681 /nfs/dbraw/zinc/32/36/81/341323681.db2.gz VUWYZSRXAITMOF-YZGWKJHDSA-N 2 0 317.521 3.532 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000550882226 341325319 /nfs/dbraw/zinc/32/53/19/341325319.db2.gz KTTJQIQXZRULIJ-LJQANCHMSA-N 2 0 316.489 3.928 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3s2)[C@@H](C)C1 ZINC000550881817 341325320 /nfs/dbraw/zinc/32/53/20/341325320.db2.gz DAWXBNGLQZCOBE-WMLDXEAASA-N 2 0 302.487 3.764 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cc(OC)ccc3c2)[C@@H](C)C1 ZINC000246141416 341329146 /nfs/dbraw/zinc/32/91/46/341329146.db2.gz KJCYINDZPPKMQH-MGPUTAFESA-N 2 0 312.457 3.668 20 0 DHADRP Clc1ccccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246280240 341339918 /nfs/dbraw/zinc/33/99/18/341339918.db2.gz AWJFSYLWWMNPOH-QFBILLFUSA-N 2 0 318.892 3.831 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC000246561398 341353764 /nfs/dbraw/zinc/35/37/64/341353764.db2.gz XDHVZVHODUJLCG-CVEARBPZSA-N 2 0 322.468 3.853 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000247162678 341361775 /nfs/dbraw/zinc/36/17/75/341361775.db2.gz XYUJTMLIMOCCFX-NCXUSEDFSA-N 2 0 318.505 3.658 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000247175427 341361918 /nfs/dbraw/zinc/36/19/18/341361918.db2.gz YUOJGBPMYYIPPF-UYAOXDASSA-N 2 0 300.490 3.718 20 0 DHADRP COCc1ccccc1/C=C(\C)C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000552043890 341364438 /nfs/dbraw/zinc/36/44/38/341364438.db2.gz FMSJMAIHIDVTPJ-OKBDBCGNSA-N 2 0 316.489 3.508 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552063656 341366510 /nfs/dbraw/zinc/36/65/10/341366510.db2.gz HIJHRDDQSYFQNM-VQTJNVASSA-N 2 0 316.489 3.684 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000248058957 341372846 /nfs/dbraw/zinc/37/28/46/341372846.db2.gz XWPPCLMOFDMFHQ-BJLQDIEVSA-N 2 0 318.505 3.517 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248388476 341376261 /nfs/dbraw/zinc/37/62/61/341376261.db2.gz RDPOWRQFQJEUFX-SUMDDJOVSA-N 2 0 304.453 3.563 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000552240089 341380574 /nfs/dbraw/zinc/38/05/74/341380574.db2.gz UISZJOIBBGCQNP-UHFFFAOYSA-N 2 0 316.489 3.970 20 0 DHADRP COc1ccccc1C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(C)C ZINC000552245999 341380862 /nfs/dbraw/zinc/38/08/62/341380862.db2.gz DGLPZMFVKMPVPA-CTWPCTMYSA-N 2 0 318.505 3.725 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000552252163 341381555 /nfs/dbraw/zinc/38/15/55/341381555.db2.gz DOJINKLQDVORLI-BZSNNMDCSA-N 2 0 304.453 3.566 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000248711760 341385041 /nfs/dbraw/zinc/38/50/41/341385041.db2.gz BKCSWRHDOKIQQG-HZPDHXFCSA-N 2 0 304.478 3.856 20 0 DHADRP C([C@@H]1CCC2(CCCCC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248781698 341386810 /nfs/dbraw/zinc/38/68/10/341386810.db2.gz BZUJMCBVDDJUOL-MOPGFXCFSA-N 2 0 320.521 3.819 20 0 DHADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c(C)c1 ZINC000249119288 341394289 /nfs/dbraw/zinc/39/42/89/341394289.db2.gz SLMBTGPFDWULHH-APWZRJJASA-N 2 0 304.478 3.604 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000249558163 341399278 /nfs/dbraw/zinc/39/92/78/341399278.db2.gz MHWYJWNFZHXCGE-IXDOHACOSA-N 2 0 304.478 3.801 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]CCCCC[NH+]2CCCC2)cc1F ZINC000555612093 341486903 /nfs/dbraw/zinc/48/69/03/341486903.db2.gz RUXXDVMFBVQMRS-SREVYHEPSA-N 2 0 308.416 3.834 20 0 DHADRP CCC[C@H](Cc1ccccc1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000564433332 341501790 /nfs/dbraw/zinc/50/17/90/341501790.db2.gz CFAVDAOEDKRILT-GOSISDBHSA-N 2 0 320.546 3.815 20 0 DHADRP c1c2ccccc2oc1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000566849846 341569829 /nfs/dbraw/zinc/56/98/29/341569829.db2.gz QQCVYQBBWSFHOH-MGPUTAFESA-N 2 0 321.424 3.506 20 0 DHADRP C[NH+](C)CC1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000567968457 341643121 /nfs/dbraw/zinc/64/31/21/341643121.db2.gz IYPCDAVERCDHLY-UHFFFAOYSA-N 2 0 319.880 3.568 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000314978961 341653875 /nfs/dbraw/zinc/65/38/75/341653875.db2.gz QEBQMICPUCUNBA-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP Cc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(Cl)c1 ZINC000576285064 341838292 /nfs/dbraw/zinc/83/82/92/341838292.db2.gz TWYCMCGJKHOUJG-UHFFFAOYSA-N 2 0 302.849 4.000 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000580638997 341890464 /nfs/dbraw/zinc/89/04/64/341890464.db2.gz FDGDMHOENWJDET-QAPCUYQASA-N 2 0 323.912 3.584 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2cnc(C3CCCCC3)s2)cc1 ZINC000577633122 341925930 /nfs/dbraw/zinc/92/59/30/341925930.db2.gz AHMREESMRLZIHC-UHFFFAOYSA-N 2 0 315.486 3.939 20 0 DHADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446891125 517767027 /nfs/dbraw/zinc/76/70/27/517767027.db2.gz UKRIKUFKPZUVCF-IBGZPJMESA-N 2 0 300.490 3.780 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000422944593 518192600 /nfs/dbraw/zinc/19/26/00/518192600.db2.gz ZYOSBUVNAULDKG-KPZWWZAWSA-N 2 0 315.848 3.840 20 0 DHADRP CC(C)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000126448872 519248420 /nfs/dbraw/zinc/24/84/20/519248420.db2.gz ZVCXFFAXTGPXEG-RGPMPMONSA-N 2 0 301.478 3.774 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C[NH+]1CCCC1 ZINC000337277413 519270724 /nfs/dbraw/zinc/27/07/24/519270724.db2.gz FRMJSVUZZGJCHK-HKUYNNGSSA-N 2 0 315.505 3.819 20 0 DHADRP CCC1(C[NH2+]Cc2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000338332648 519843071 /nfs/dbraw/zinc/84/30/71/519843071.db2.gz PEVXTHHEYDXDGP-UHFFFAOYSA-N 2 0 323.484 3.864 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337325036 519847547 /nfs/dbraw/zinc/84/75/47/519847547.db2.gz BQSWSNCSABXPCD-LPHOPBHVSA-N 2 0 301.478 3.572 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000157893514 519977823 /nfs/dbraw/zinc/97/78/23/519977823.db2.gz OQWBLGIHTHYQFU-IRXDYDNUSA-N 2 0 306.498 3.769 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000181906680 520637626 /nfs/dbraw/zinc/63/76/26/520637626.db2.gz WXGNBRNYISZEKR-HOTGVXAUSA-N 2 0 319.493 3.806 20 0 DHADRP CC[NH+](CC)Cc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1 ZINC000339399006 520744411 /nfs/dbraw/zinc/74/44/11/520744411.db2.gz XYHFNFODUBQYAD-MRXNPFEDSA-N 2 0 316.449 3.624 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000157677361 522752325 /nfs/dbraw/zinc/75/23/25/522752325.db2.gz QSOJQIQZQIHYPN-JXFKEZNVSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000158897366 524096336 /nfs/dbraw/zinc/09/63/36/524096336.db2.gz PZFXJIHGKXHVHT-QGZVFWFLSA-N 2 0 301.478 3.558 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccn1C ZINC000161660634 524116433 /nfs/dbraw/zinc/11/64/33/524116433.db2.gz SHWWTIHBTMWRRJ-QGZVFWFLSA-N 2 0 311.473 3.689 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000364172113 524911181 /nfs/dbraw/zinc/91/11/81/524911181.db2.gz XDSKXXWEKPTINC-GQIGUUNPSA-N 2 0 309.457 3.567 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000269044169 525166926 /nfs/dbraw/zinc/16/69/26/525166926.db2.gz URYUCFUACNHBMF-JKSUJKDBSA-N 2 0 316.489 3.794 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH+](C)CC1)CCS2 ZINC000191510690 525573466 /nfs/dbraw/zinc/57/34/66/525573466.db2.gz CFWHHQSKYMPQLZ-KRWDZBQOSA-N 2 0 320.502 3.554 20 0 DHADRP C[C@@]1(C[NH3+])CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339414386 525830598 /nfs/dbraw/zinc/83/05/98/525830598.db2.gz WQSQXPDRBHQTND-INIZCTEOSA-N 2 0 314.395 3.699 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000365040149 526216000 /nfs/dbraw/zinc/21/60/00/526216000.db2.gz IOBPFFVWHGJGRH-QRFRQXIXSA-N 2 0 309.457 3.734 20 0 DHADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157463201 526543232 /nfs/dbraw/zinc/54/32/32/526543232.db2.gz UOCOQXMAEYNBKF-IBGZPJMESA-N 2 0 309.457 3.685 20 0 DHADRP Clc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000180353552 526942878 /nfs/dbraw/zinc/94/28/78/526942878.db2.gz ZJPVTGFTCGSRPN-DLBZAZTESA-N 2 0 304.865 3.936 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1coc2ccccc12 ZINC000339407097 527568453 /nfs/dbraw/zinc/56/84/53/527568453.db2.gz LAXPVNBHGOOPQO-UHFFFAOYSA-N 2 0 318.380 3.612 20 0 DHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339497482 527575347 /nfs/dbraw/zinc/57/53/47/527575347.db2.gz JWJQXKRPWHJUNB-UHFFFAOYSA-N 2 0 320.525 3.611 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297780685 535715651 /nfs/dbraw/zinc/71/56/51/535715651.db2.gz WFJZODFHVQYQCR-FUHWJXTLSA-N 2 0 319.518 3.704 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284136113 535832147 /nfs/dbraw/zinc/83/21/47/535832147.db2.gz YMHNFCDEJZSKHN-UHFFFAOYSA-N 2 0 323.893 3.895 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000289211440 537020777 /nfs/dbraw/zinc/02/07/77/537020777.db2.gz KMNOYQAYBGYHMK-YOEHRIQHSA-N 2 0 320.452 3.532 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000289211436 537022223 /nfs/dbraw/zinc/02/22/23/537022223.db2.gz KMNOYQAYBGYHMK-WMLDXEAASA-N 2 0 320.452 3.532 20 0 DHADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000251483669 563910581 /nfs/dbraw/zinc/91/05/81/563910581.db2.gz DSEKTZPDFWCQFA-SJORKVTESA-N 2 0 319.518 3.562 20 0 DHADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC000425988618 1013054803 /nfs/dbraw/zinc/05/48/03/1013054803.db2.gz OOSHOCAOGJIONY-GASCZTMLSA-N 2 0 316.445 3.548 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000294199799 1013126995 /nfs/dbraw/zinc/12/69/95/1013126995.db2.gz KRJJENWOHGQSLD-SJORKVTESA-N 2 0 304.478 3.567 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(N3CCCCC3)c2)CC1 ZINC001168294713 1032066781 /nfs/dbraw/zinc/06/67/81/1032066781.db2.gz CYPWGKLFFNXLSP-UHFFFAOYSA-N 2 0 315.505 3.639 20 0 DHADRP Clc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000037648885 1013207665 /nfs/dbraw/zinc/20/76/65/1013207665.db2.gz LXMPYIGLZVCJRH-FZKQIMNGSA-N 2 0 304.865 3.865 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964374 1013210936 /nfs/dbraw/zinc/21/09/36/1013210936.db2.gz PZSGMELFIDRVTO-LRLLJDFBSA-N 2 0 316.464 3.752 20 0 DHADRP CC[C@@H](c1ccccc1)N(C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001167128626 1013249730 /nfs/dbraw/zinc/24/97/30/1013249730.db2.gz UVAPQTOLMZWIEZ-SFHVURJKSA-N 2 0 324.472 3.597 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cc3cccc(OC)c3o2)C1 ZINC000093742068 1013320426 /nfs/dbraw/zinc/32/04/26/1013320426.db2.gz DOQNKHUKWUQWMG-OAHLLOKOSA-N 2 0 316.445 3.605 20 0 DHADRP CCC[NH+]1CCC(N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC000109787801 1013331943 /nfs/dbraw/zinc/33/19/43/1013331943.db2.gz CUXNIXGVRPSJPO-UHFFFAOYSA-N 2 0 304.478 3.780 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415014542 1013335261 /nfs/dbraw/zinc/33/52/61/1013335261.db2.gz ZYENVDYCFFSDMT-OXQOHEQNSA-N 2 0 324.468 3.969 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)[C@H](C)C1 ZINC000120699616 1013336579 /nfs/dbraw/zinc/33/65/79/1013336579.db2.gz AEQBCFWIQLEDRS-DYVFJYSZSA-N 2 0 319.880 3.684 20 0 DHADRP c1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)nc1 ZINC001167967884 1013346328 /nfs/dbraw/zinc/34/63/28/1013346328.db2.gz JZUCHGDFXIJSQE-DLZDZTESSA-N 2 0 311.473 3.528 20 0 DHADRP CCSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398109750 1013352119 /nfs/dbraw/zinc/35/21/19/1013352119.db2.gz NMYUEDPPNYGIQK-FUHWJXTLSA-N 2 0 306.519 3.630 20 0 DHADRP Clc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccn1 ZINC000178916210 1013399604 /nfs/dbraw/zinc/39/96/04/1013399604.db2.gz TXXVUSCHJCTCFS-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP C1=CC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000236588333 1013420103 /nfs/dbraw/zinc/42/01/03/1013420103.db2.gz CPDWQWAHMWWXNY-GOSISDBHSA-N 2 0 314.473 3.607 20 0 DHADRP C[C@](C[NH3+])([NH2+]CCSc1cc(Cl)ccc1Cl)C1CC1 ZINC000430586829 1013505918 /nfs/dbraw/zinc/50/59/18/1013505918.db2.gz ZJDBNELYBDYHEB-CQSZACIVSA-N 2 0 319.301 3.803 20 0 DHADRP C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369286 1013523431 /nfs/dbraw/zinc/52/34/31/1013523431.db2.gz GRULIZJTFOSFLP-DLBZAZTESA-N 2 0 316.489 3.716 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000519640659 1013585937 /nfs/dbraw/zinc/58/59/37/1013585937.db2.gz GTICMZCTGZNXLL-SFHVURJKSA-N 2 0 302.462 3.613 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655690158 1013647018 /nfs/dbraw/zinc/64/70/18/1013647018.db2.gz XMROXOJNKRBOST-YJBOKZPZSA-N 2 0 306.519 3.901 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000655700925 1013647780 /nfs/dbraw/zinc/64/77/80/1013647780.db2.gz RBQUFYVSYPUUGR-LPHOPBHVSA-N 2 0 318.530 3.772 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)ccc1OC ZINC000655806096 1013727978 /nfs/dbraw/zinc/72/79/78/1013727978.db2.gz PDJTZLKSMIKTCP-IVMMDQJWSA-N 2 0 310.869 3.730 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000655805684 1013727993 /nfs/dbraw/zinc/72/79/93/1013727993.db2.gz KERHWQGRZZOZTO-TUVASFSCSA-N 2 0 317.502 3.718 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805963 1013728636 /nfs/dbraw/zinc/72/86/36/1013728636.db2.gz VEQXZQXWMHNMSC-RWMBFGLXSA-N 2 0 300.899 3.652 20 0 DHADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804848 1013723820 /nfs/dbraw/zinc/72/38/20/1013723820.db2.gz DDYVQJSGVGPLAP-SOUVJXGZSA-N 2 0 300.446 3.986 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000655802503 1013726759 /nfs/dbraw/zinc/72/67/59/1013726759.db2.gz DGFKXNRKWHDRRR-JOQOYGCGSA-N 2 0 304.503 3.716 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000655806020 1013727589 /nfs/dbraw/zinc/72/75/89/1013727589.db2.gz XAEAXFMKPQTFMT-RNJTYBCJSA-N 2 0 306.881 3.906 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H](c2ccccc2)C1 ZINC000655806259 1013727618 /nfs/dbraw/zinc/72/76/18/1013727618.db2.gz SYDPRERDHJQQPU-CZKCSJLSSA-N 2 0 300.490 3.889 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805680 1013727707 /nfs/dbraw/zinc/72/77/07/1013727707.db2.gz KERHWQGRZZOZTO-BARDWOONSA-N 2 0 317.502 3.718 20 0 DHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000579952467 1013750941 /nfs/dbraw/zinc/75/09/41/1013750941.db2.gz BYCWYQBGJXROSL-UKRRQHHQSA-N 2 0 314.395 3.697 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000655837816 1013761900 /nfs/dbraw/zinc/76/19/00/1013761900.db2.gz WRLQSXUXOJWWSI-UWVAXJGDSA-N 2 0 315.505 3.645 20 0 DHADRP C1CCC(OC2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)C1 ZINC000655851564 1013777074 /nfs/dbraw/zinc/77/70/74/1013777074.db2.gz XXHOGLYJZATMPV-DXBWTPJFSA-N 2 0 320.521 3.863 20 0 DHADRP C1CCC(OC2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)C1 ZINC000655851565 1013777796 /nfs/dbraw/zinc/77/77/96/1013777796.db2.gz XXHOGLYJZATMPV-HFPIOELMSA-N 2 0 320.521 3.863 20 0 DHADRP c1cc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccn1 ZINC001167996011 1013808607 /nfs/dbraw/zinc/80/86/07/1013808607.db2.gz VCSUQRVFOGPUNA-XNMUZJSGSA-N 2 0 311.473 3.624 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C(C)(C)C ZINC000340475764 1013859390 /nfs/dbraw/zinc/85/93/90/1013859390.db2.gz ASPHUBRDUMCTLM-MSOLQXFVSA-N 2 0 304.478 3.726 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479161 1013862901 /nfs/dbraw/zinc/86/29/01/1013862901.db2.gz XIYYIRQNWXQCEX-FQEVSTJZSA-N 2 0 316.489 3.928 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Oc1ccc(Cl)cc1 ZINC000151560792 1013895630 /nfs/dbraw/zinc/89/56/30/1013895630.db2.gz HLMYAYKFRKXENR-AWEZNQCLSA-N 2 0 322.880 3.571 20 0 DHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCF)c2ccc(F)cc2)CC1 ZINC000340538501 1013947769 /nfs/dbraw/zinc/94/77/69/1013947769.db2.gz OPNNUGDZXJVYTN-GOSISDBHSA-N 2 0 310.432 3.938 20 0 DHADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000580136056 1014041949 /nfs/dbraw/zinc/04/19/49/1014041949.db2.gz GOZBZTPYQYFJLN-BOLBYERCSA-N 2 0 302.506 3.928 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)Cc2ccncc2)CC1 ZINC001173105753 1033542932 /nfs/dbraw/zinc/54/29/32/1033542932.db2.gz DGIDMGKQBPEYND-UHFFFAOYSA-N 2 0 303.494 3.645 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000656201572 1014105652 /nfs/dbraw/zinc/10/56/52/1014105652.db2.gz RUNKERVPWHBBAJ-LBPRGKRZSA-N 2 0 316.367 3.681 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1C(F)(F)F ZINC000580431469 1014130857 /nfs/dbraw/zinc/13/08/57/1014130857.db2.gz NWSWERWVGLMXFM-MRXNPFEDSA-N 2 0 312.379 3.589 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC000520462946 1014158513 /nfs/dbraw/zinc/15/85/13/1014158513.db2.gz IQGCTJDFPIUHAG-CHWSQXEVSA-N 2 0 324.456 3.525 20 0 DHADRP CC(C)OC1CC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000189550689 1014194470 /nfs/dbraw/zinc/19/44/70/1014194470.db2.gz LJEGNENUCNMIAI-UHFFFAOYSA-N 2 0 308.510 3.575 20 0 DHADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001167426420 1014260715 /nfs/dbraw/zinc/26/07/15/1014260715.db2.gz WTHJAIJBKOXXPV-ZCNNSNEGSA-N 2 0 324.553 3.904 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000564434644 1014281966 /nfs/dbraw/zinc/28/19/66/1014281966.db2.gz KGDITAUTBJLILE-HXUWFJFHSA-N 2 0 324.468 3.620 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+](C)C)CCCS2 ZINC000275945781 1014329710 /nfs/dbraw/zinc/32/97/10/1014329710.db2.gz ZWOIOBIJNGWDJS-INIZCTEOSA-N 2 0 308.491 3.554 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000580812813 1014370135 /nfs/dbraw/zinc/37/01/35/1014370135.db2.gz XLVZDIMDPDCKHP-IBGZPJMESA-N 2 0 316.489 3.927 20 0 DHADRP C[C@H]([NH3+])c1nccn1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168005683 1014404511 /nfs/dbraw/zinc/40/45/11/1014404511.db2.gz KCIYLWSBDZISRG-OAGGEKHMSA-N 2 0 312.461 3.517 20 0 DHADRP C[C@H]1CC([NH2+][C@@H]2CC[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006654 1014421072 /nfs/dbraw/zinc/42/10/72/1014421072.db2.gz NWBZDDZEFISPAK-CWLKWCNXSA-N 2 0 304.453 3.908 20 0 DHADRP Cc1oncc1CNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168009129 1014483324 /nfs/dbraw/zinc/48/33/24/1014483324.db2.gz YRCQDSHFTFTEPV-HUUCEWRRSA-N 2 0 313.445 3.514 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000361774433 1032094925 /nfs/dbraw/zinc/09/49/25/1032094925.db2.gz SLPDVVFZPOGPAD-FQEVSTJZSA-N 2 0 316.489 3.784 20 0 DHADRP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC2CC2)cc1 ZINC000656408592 1014579745 /nfs/dbraw/zinc/57/97/45/1014579745.db2.gz KKWGWBILQOGYKF-WOZUAGRISA-N 2 0 310.485 3.629 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000262036556 1014601342 /nfs/dbraw/zinc/60/13/42/1014601342.db2.gz ZSXYMSWZCSGESE-ZDUSSCGKSA-N 2 0 319.836 3.556 20 0 DHADRP FC1(F)CC12CCC([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC2 ZINC000665274730 1014637162 /nfs/dbraw/zinc/63/71/62/1014637162.db2.gz XFULFSMLLUZTLJ-LHJGCZIBSA-N 2 0 312.448 3.855 20 0 DHADRP c1ccc(CC[C@H](NCC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665277446 1014655786 /nfs/dbraw/zinc/65/57/86/1014655786.db2.gz BPNSGRFPXGKWKY-CKHPTIKVSA-N 2 0 306.453 3.702 20 0 DHADRP COc1ccc([C@@H](CCC(C)C)NCC23CC(C2)C[NH2+]3)cc1 ZINC000665277693 1014655871 /nfs/dbraw/zinc/65/58/71/1014655871.db2.gz IWWGSNHWZAGPEQ-ZCDLSOSASA-N 2 0 302.462 3.514 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279856 1014662465 /nfs/dbraw/zinc/66/24/65/1014662465.db2.gz NQZVCKJNKDEQSK-ZUIJCZDSSA-N 2 0 311.473 3.566 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665280511 1014671335 /nfs/dbraw/zinc/67/13/35/1014671335.db2.gz DXFRYTYCNDSNQS-GXTWGEPZSA-N 2 0 300.393 3.620 20 0 DHADRP CSc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000442849693 1014745558 /nfs/dbraw/zinc/74/55/58/1014745558.db2.gz CLGJMZZVRDMJNL-JKSUJKDBSA-N 2 0 322.518 3.560 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000521851876 1014815722 /nfs/dbraw/zinc/81/57/22/1014815722.db2.gz OYMOLMBSBFDWPZ-OXQOHEQNSA-N 2 0 316.489 3.780 20 0 DHADRP Cc1cc(OCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1C(C)C ZINC000605421242 1014899334 /nfs/dbraw/zinc/89/93/34/1014899334.db2.gz DJTFIQUJKOCCCZ-SFHVURJKSA-N 2 0 318.505 3.771 20 0 DHADRP C[C@@H](CCC(C)(C)C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000581493142 1014928252 /nfs/dbraw/zinc/92/82/52/1014928252.db2.gz HECFFKUTQFWYOA-SFHVURJKSA-N 2 0 323.569 3.741 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000474070151 1014948117 /nfs/dbraw/zinc/94/81/17/1014948117.db2.gz ZIGBRPCRSOAPON-SFHVURJKSA-N 2 0 316.489 3.739 20 0 DHADRP Fc1ccc(OCCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157243812 1015012832 /nfs/dbraw/zinc/01/28/32/1015012832.db2.gz QANONRAKTFUZMU-SFHVURJKSA-N 2 0 320.452 3.545 20 0 DHADRP CCC[C@@H](CCO)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168022537 1015018216 /nfs/dbraw/zinc/01/82/16/1015018216.db2.gz ABHPKJQUJWEUJD-LMMKCTJWSA-N 2 0 318.505 3.569 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CC1(C)C ZINC000341252776 1015092466 /nfs/dbraw/zinc/09/24/66/1015092466.db2.gz FSLJETNSPAOWEB-HNAYVOBHSA-N 2 0 316.489 3.684 20 0 DHADRP CC1CCC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000341272717 1015121353 /nfs/dbraw/zinc/12/13/53/1015121353.db2.gz PNESXEZADBXXGH-UHFFFAOYSA-N 2 0 316.489 3.828 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656783615 1015148007 /nfs/dbraw/zinc/14/80/07/1015148007.db2.gz RIMDKEYHXYWJAY-IBGZPJMESA-N 2 0 316.489 3.557 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc2cnccc2c1 ZINC000895682210 1015261377 /nfs/dbraw/zinc/26/13/77/1015261377.db2.gz DFKXWPHZIAPMHP-UHFFFAOYSA-N 2 0 311.473 3.933 20 0 DHADRP c1c2ccccc2[nH]c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410308 1015288017 /nfs/dbraw/zinc/28/80/17/1015288017.db2.gz JNQGZGOVIDEHTH-SFHVURJKSA-N 2 0 319.452 3.780 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000178037779 1017153471 /nfs/dbraw/zinc/15/34/71/1017153471.db2.gz AABWRRRDUBBGNA-XHSDSOJGSA-N 2 0 324.896 3.880 20 0 DHADRP CC(C)C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000474463339 1015379584 /nfs/dbraw/zinc/37/95/84/1015379584.db2.gz YWQPGBHHGHVTEB-MJGOQNOKSA-N 2 0 300.490 3.890 20 0 DHADRP CCCC[C@@H](CO)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168036361 1015412061 /nfs/dbraw/zinc/41/20/61/1015412061.db2.gz WCOOUWFAUMPCPA-LNLFQRSKSA-N 2 0 318.505 3.569 20 0 DHADRP CCCSC[C@H](C)[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000896036015 1015419113 /nfs/dbraw/zinc/41/91/13/1015419113.db2.gz ZGBDAWIUBKRQRA-RDJZCZTQSA-N 2 0 303.475 3.746 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CC2(CCCOC)CCC2)CC1 ZINC000891611276 1015445301 /nfs/dbraw/zinc/44/53/01/1015445301.db2.gz HVZITIYDOUJMRJ-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000134404295 1015474620 /nfs/dbraw/zinc/47/46/20/1015474620.db2.gz RGBPYTCTFYRMLB-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000474612451 1015485971 /nfs/dbraw/zinc/48/59/71/1015485971.db2.gz JKYGTNRTYIPMHY-OWCLPIDISA-N 2 0 312.567 3.864 20 0 DHADRP c1ccc(C2(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000896275859 1015529928 /nfs/dbraw/zinc/52/99/28/1015529928.db2.gz KACUZAWKWGTVGJ-UHFFFAOYSA-N 2 0 321.468 3.762 20 0 DHADRP CSc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000581913361 1015534152 /nfs/dbraw/zinc/53/41/52/1015534152.db2.gz DGAMNGITLRJZBQ-CYBMUJFWSA-N 2 0 300.537 3.926 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(SCC(F)F)cc1 ZINC000581937711 1015574973 /nfs/dbraw/zinc/57/49/73/1015574973.db2.gz HMSMTMVKYCCYRL-GFCCVEGCSA-N 2 0 314.445 3.694 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000474797805 1015599753 /nfs/dbraw/zinc/59/97/53/1015599753.db2.gz AAUQNVNIAFVJLE-RBUKOAKNSA-N 2 0 310.526 3.539 20 0 DHADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000474801755 1015606410 /nfs/dbraw/zinc/60/64/10/1015606410.db2.gz ZEIWGPLTKRURPF-IJXRJRJASA-N 2 0 322.537 3.559 20 0 DHADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474823514 1015624026 /nfs/dbraw/zinc/62/40/26/1015624026.db2.gz UXXGHOSBOHNMSQ-HTVCTNPSSA-N 2 0 312.910 3.966 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000684557814 1015736790 /nfs/dbraw/zinc/73/67/90/1015736790.db2.gz JDXQZHVATBMXRC-UWJYYQICSA-N 2 0 323.484 3.799 20 0 DHADRP CCCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000535797028 1015828575 /nfs/dbraw/zinc/82/85/75/1015828575.db2.gz YJTDTCILPZGMQQ-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000535806191 1015835517 /nfs/dbraw/zinc/83/55/17/1015835517.db2.gz KARCCYWQJOKWRL-QAPCUYQASA-N 2 0 312.457 3.911 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000277059913 1015860779 /nfs/dbraw/zinc/86/07/79/1015860779.db2.gz OPNOXHCFQCRZBI-KRWDZBQOSA-N 2 0 320.525 3.526 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cncs1 ZINC000934194613 1016206079 /nfs/dbraw/zinc/20/60/79/1016206079.db2.gz YRLLNOQZJCCYIW-HNNXBMFYSA-N 2 0 315.486 3.980 20 0 DHADRP COCc1csc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000657312544 1016301003 /nfs/dbraw/zinc/30/10/03/1016301003.db2.gz KLZKLMUUOSSQCX-HZPDHXFCSA-N 2 0 324.534 3.742 20 0 DHADRP COC1(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000582017497 1016304369 /nfs/dbraw/zinc/30/43/69/1016304369.db2.gz QOTPEIVOVBMEIS-WMZOPIPTSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1nn(C(C)C)cc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000361896745 1032146217 /nfs/dbraw/zinc/14/62/17/1032146217.db2.gz LZWVTRDCMVGWMA-UHFFFAOYSA-N 2 0 306.498 3.518 20 0 DHADRP Cc1cc(C)c(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(C)c1 ZINC000657317543 1016322735 /nfs/dbraw/zinc/32/27/35/1016322735.db2.gz CEVYKSBVBGMLEF-UHFFFAOYSA-N 2 0 320.440 3.525 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657346357 1016393193 /nfs/dbraw/zinc/39/31/93/1016393193.db2.gz CIECPVBDEFMTNT-UHFFFAOYSA-N 2 0 320.452 3.579 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657351312 1016407338 /nfs/dbraw/zinc/40/73/38/1016407338.db2.gz BYQZAWJDRBADOW-UHFFFAOYSA-N 2 0 320.440 3.643 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCCO1 ZINC000346505247 1016412472 /nfs/dbraw/zinc/41/24/72/1016412472.db2.gz XLALLLFPBNWYDY-UWVAXJGDSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCCO1 ZINC000346500162 1016423151 /nfs/dbraw/zinc/42/31/51/1016423151.db2.gz UEOPALLTQGSPSR-FXAWDEMLSA-N 2 0 316.489 3.576 20 0 DHADRP COCc1csc(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000657359039 1016442040 /nfs/dbraw/zinc/44/20/40/1016442040.db2.gz PRSOLGGVFPMBFZ-UHFFFAOYSA-N 2 0 310.507 3.640 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000281295275 1016453875 /nfs/dbraw/zinc/45/38/75/1016453875.db2.gz QSMLNDJXLDLBQY-ROUUACIJSA-N 2 0 303.494 3.736 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281324683 1016469211 /nfs/dbraw/zinc/46/92/11/1016469211.db2.gz SSYKREQSUTUNHA-DNVCBOLYSA-N 2 0 319.468 3.774 20 0 DHADRP Cc1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000346635054 1016489992 /nfs/dbraw/zinc/48/99/92/1016489992.db2.gz RZZKVPSKVNDTIJ-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346632681 1016491162 /nfs/dbraw/zinc/49/11/62/1016491162.db2.gz DMQSMSMIDIXKPF-STQMWFEESA-N 2 0 304.434 3.723 20 0 DHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346695206 1016508452 /nfs/dbraw/zinc/50/84/52/1016508452.db2.gz YWLYETHGFKMFIH-INIZCTEOSA-N 2 0 320.868 3.535 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000657375226 1016526658 /nfs/dbraw/zinc/52/66/58/1016526658.db2.gz FLSSCCSBIUNUHV-GUYCJALGSA-N 2 0 315.486 3.691 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccs3)cc2)CC[N@@H+]1C ZINC000657375236 1016527496 /nfs/dbraw/zinc/52/74/96/1016527496.db2.gz FMVCDYCZJUFVCH-YOEHRIQHSA-N 2 0 300.471 3.987 20 0 DHADRP COCCCC1(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCC1 ZINC000892234339 1016539562 /nfs/dbraw/zinc/53/95/62/1016539562.db2.gz DFSVTCHHZQDNCI-MJGOQNOKSA-N 2 0 320.521 3.532 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000044535299 1016615597 /nfs/dbraw/zinc/61/55/97/1016615597.db2.gz NSWSLSCKIBXSQZ-CYBMUJFWSA-N 2 0 318.408 3.730 20 0 DHADRP C[C@H]([NH3+])c1ccc(-c2ccc(C[NH3+])c(C(F)(F)F)c2)cc1F ZINC000629737866 1016633564 /nfs/dbraw/zinc/63/35/64/1016633564.db2.gz NPEZPLCBAPKWPN-VIFPVBQESA-N 2 0 312.310 3.990 20 0 DHADRP CSc1ccccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000629749853 1016679705 /nfs/dbraw/zinc/67/97/05/1016679705.db2.gz HGADPXZMUJREQH-UHFFFAOYSA-N 2 0 312.482 3.999 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152435166 1016685677 /nfs/dbraw/zinc/68/56/77/1016685677.db2.gz ROOAIMBYSBAMQT-VQIMIIECSA-N 2 0 314.473 3.591 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc(C(F)F)c1 ZINC000336725257 1016706764 /nfs/dbraw/zinc/70/67/64/1016706764.db2.gz YASJGSRCVZXEPD-UHFFFAOYSA-N 2 0 304.384 3.975 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347046505 1016715201 /nfs/dbraw/zinc/71/52/01/1016715201.db2.gz OJQJOFPOAHGOTJ-DNVCBOLYSA-N 2 0 312.457 3.796 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000347084212 1016733278 /nfs/dbraw/zinc/73/32/78/1016733278.db2.gz ZZDABWGIBODVHC-HOCLYGCPSA-N 2 0 315.486 3.678 20 0 DHADRP Fc1c(C[NH2+]CCCCC[NH+]2CCCC2)cccc1OC1CC1 ZINC000657474294 1016952669 /nfs/dbraw/zinc/95/26/69/1016952669.db2.gz FWXVPLNWQWWKEF-UHFFFAOYSA-N 2 0 320.452 3.723 20 0 DHADRP C[N@@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623344308 1016973718 /nfs/dbraw/zinc/97/37/18/1016973718.db2.gz GEYLLJCWXZJBFK-AWEZNQCLSA-N 2 0 300.368 3.668 20 0 DHADRP C[N@@H+]1CC[C@@H](N[C@@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374677 1017007284 /nfs/dbraw/zinc/00/72/84/1017007284.db2.gz KXUAJXYRSUZBHW-IUODEOHRSA-N 2 0 308.853 3.626 20 0 DHADRP Fc1cccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000380075416 1017016599 /nfs/dbraw/zinc/01/65/99/1017016599.db2.gz CWEXMVOZTWICJE-WOJBJXKFSA-N 2 0 324.443 3.780 20 0 DHADRP CCCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000657492378 1017025663 /nfs/dbraw/zinc/02/56/63/1017025663.db2.gz VBGCSKXSWNENJQ-KRWDZBQOSA-N 2 0 304.478 3.605 20 0 DHADRP CCc1cccc2c(CC[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)c[nH]c21 ZINC000623413864 1017032330 /nfs/dbraw/zinc/03/23/30/1017032330.db2.gz KVWCOQRIIPWZOZ-KRWDZBQOSA-N 2 0 313.489 3.735 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623437800 1017055416 /nfs/dbraw/zinc/05/54/16/1017055416.db2.gz ZQVGNHMXGKUIMJ-QRVBRYPASA-N 2 0 316.489 3.678 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CCC2 ZINC000361965499 1032175097 /nfs/dbraw/zinc/17/50/97/1032175097.db2.gz DHSFJFBZMPAIRM-GPMSIDNRSA-N 2 0 302.462 3.535 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000361965500 1032175448 /nfs/dbraw/zinc/17/54/48/1032175448.db2.gz DHSFJFBZMPAIRM-JTDSTZFVSA-N 2 0 302.462 3.535 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000294880468 1032191437 /nfs/dbraw/zinc/19/14/37/1032191437.db2.gz XNSQEMLOJGBNQH-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001246782201 1032202190 /nfs/dbraw/zinc/20/21/90/1032202190.db2.gz PZKZDAJHMDHLSM-NWDGAFQWSA-N 2 0 301.261 3.595 20 0 DHADRP Cc1ccccc1OC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168314859 1032223829 /nfs/dbraw/zinc/22/38/29/1032223829.db2.gz GNUIBQWHHYUAKF-UHFFFAOYSA-N 2 0 316.489 3.711 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001168314939 1032224141 /nfs/dbraw/zinc/22/41/41/1032224141.db2.gz ILNAFMLOKNQORF-GRERDSQWSA-N 2 0 323.484 3.766 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471803 1032250262 /nfs/dbraw/zinc/25/02/62/1032250262.db2.gz UDHGFRPYJXFCCD-YTQUADARSA-N 2 0 316.489 3.617 20 0 DHADRP COc1ccc([C@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168323035 1032263373 /nfs/dbraw/zinc/26/33/73/1032263373.db2.gz NYDNYNGVDSENQW-FAFZWHIHSA-N 2 0 302.462 3.705 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccccc2OC)C[C@H]1C ZINC000537616247 1032284210 /nfs/dbraw/zinc/28/42/10/1032284210.db2.gz KSHXWRQIKQDAED-JLLINPMKSA-N 2 0 302.462 3.513 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000119954878 1032333126 /nfs/dbraw/zinc/33/31/26/1032333126.db2.gz XTNWNSUPXIAOLP-CABCVRRESA-N 2 0 306.450 3.576 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000342791993 1017270633 /nfs/dbraw/zinc/27/06/33/1017270633.db2.gz GBGNYWSDBYMHEJ-HKUYNNGSSA-N 2 0 322.493 3.766 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179635176 1017275871 /nfs/dbraw/zinc/27/58/71/1017275871.db2.gz MWNCDKMTKMIANL-SFHVURJKSA-N 2 0 324.468 3.746 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171335961 1032435383 /nfs/dbraw/zinc/43/53/83/1032435383.db2.gz CHNGFEXNYOZGAI-MRXNPFEDSA-N 2 0 310.432 3.534 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200466 1033294741 /nfs/dbraw/zinc/29/47/41/1033294741.db2.gz LJTHLOUDBDQLAI-DNVCBOLYSA-N 2 0 304.453 3.988 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171336165 1032438735 /nfs/dbraw/zinc/43/87/35/1032438735.db2.gz AKGALPUAYKVZKC-YOEHRIQHSA-N 2 0 324.459 3.922 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1CCC(F)(F)CC1 ZINC000475205953 1017083071 /nfs/dbraw/zinc/08/30/71/1017083071.db2.gz AXYBFACIYGOEDM-AWEZNQCLSA-N 2 0 302.453 3.912 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC000623502989 1017083258 /nfs/dbraw/zinc/08/32/58/1017083258.db2.gz GVXFRBOIMNQQNQ-OTWHNJEPSA-N 2 0 300.490 3.860 20 0 DHADRP c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000684953423 1017087673 /nfs/dbraw/zinc/08/76/73/1017087673.db2.gz IBRRMQDSLCOQFP-HXUWFJFHSA-N 2 0 321.468 3.845 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000475214605 1017087686 /nfs/dbraw/zinc/08/76/86/1017087686.db2.gz JKLMFFTVDRKWOZ-HIFRSBDPSA-N 2 0 300.437 3.664 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623540400 1017097724 /nfs/dbraw/zinc/09/77/24/1017097724.db2.gz XZSSXXZFAKKVSK-UHFFFAOYSA-N 2 0 308.413 3.977 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1Cl ZINC000177263796 1017097929 /nfs/dbraw/zinc/09/79/29/1017097929.db2.gz PCKHUEYODRUWPF-OAGGEKHMSA-N 2 0 324.896 3.880 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000121986467 1032498012 /nfs/dbraw/zinc/49/80/12/1032498012.db2.gz TZQZFAYIXQYOFQ-SOLBZPMBSA-N 2 0 310.526 3.823 20 0 DHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000092821626 1032513063 /nfs/dbraw/zinc/51/30/63/1032513063.db2.gz NASTUBDPWFFCKV-UHFFFAOYSA-N 2 0 309.457 3.820 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)[C@H](C)C1 ZINC001171360326 1032515306 /nfs/dbraw/zinc/51/53/06/1032515306.db2.gz JVCFOLOQYVMWNU-AZOIQLNYSA-N 2 0 322.443 3.531 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@H](C)C1 ZINC000122319016 1032534772 /nfs/dbraw/zinc/53/47/72/1032534772.db2.gz PJCQWISJRPTSQR-MDNKFWRPSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCO3)C1 ZINC000773076417 1032547863 /nfs/dbraw/zinc/54/78/63/1032547863.db2.gz OBNQJWJJNZBFET-IAGOWNOFSA-N 2 0 316.489 3.640 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000093638683 1032548239 /nfs/dbraw/zinc/54/82/39/1032548239.db2.gz PPNACUZIWYHIET-DYVFJYSZSA-N 2 0 304.409 3.734 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)c1 ZINC000122544137 1032555757 /nfs/dbraw/zinc/55/57/57/1032555757.db2.gz LPBLWFXWGQNKLK-JXFKEZNVSA-N 2 0 324.468 3.935 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000537646452 1032574980 /nfs/dbraw/zinc/57/49/80/1032574980.db2.gz CDZKCCKKRHYBHV-POLXVDLBSA-N 2 0 316.489 3.523 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000541555114 1032581392 /nfs/dbraw/zinc/58/13/92/1032581392.db2.gz MKNAEXVBOBLZQM-NXHRZFHOSA-N 2 0 310.551 3.905 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000396473812 1011935747 /nfs/dbraw/zinc/93/57/47/1011935747.db2.gz ZRRZNMGHAIMZRL-JKSUJKDBSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424292880 1011959828 /nfs/dbraw/zinc/95/98/28/1011959828.db2.gz ONWKMQCNNTZIHV-CYBMUJFWSA-N 2 0 312.379 3.669 20 0 DHADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000579711786 1011961677 /nfs/dbraw/zinc/96/16/77/1011961677.db2.gz HCURBVHKMQLRDY-KUHUBIRLSA-N 2 0 316.514 3.860 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000424301577 1011964028 /nfs/dbraw/zinc/96/40/28/1011964028.db2.gz XRZHIPHSZUCELD-QGZVFWFLSA-N 2 0 324.468 3.683 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(-c3cccnc3)c1)CC[NH2+]CC2 ZINC000424379768 1012014138 /nfs/dbraw/zinc/01/41/38/1012014138.db2.gz PBCXIMFYEPFPGU-QGZVFWFLSA-N 2 0 321.468 3.713 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc2c(s1)CCCC2 ZINC000643546307 1012095677 /nfs/dbraw/zinc/09/56/77/1012095677.db2.gz MDXDSPHNJDPOOX-HIFRSBDPSA-N 2 0 304.503 3.952 20 0 DHADRP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000683141846 1012105929 /nfs/dbraw/zinc/10/59/29/1012105929.db2.gz WYIGGUGAKUKADD-VQTJNVASSA-N 2 0 318.505 3.818 20 0 DHADRP Cc1cc([C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C2CC2)ccc1F ZINC000643548730 1012120911 /nfs/dbraw/zinc/12/09/11/1012120911.db2.gz UHIVXNGNYOBNGN-WMZOPIPTSA-N 2 0 302.437 3.850 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000514232982 1012302453 /nfs/dbraw/zinc/30/24/53/1012302453.db2.gz SZULTAGISXQRKG-QFBILLFUSA-N 2 0 304.478 3.810 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cncn2C(C)C)CC1 ZINC000425353301 1012475304 /nfs/dbraw/zinc/47/53/04/1012475304.db2.gz NHXHLEXIELGQAB-UHFFFAOYSA-N 2 0 320.525 3.798 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC001171425497 1032644520 /nfs/dbraw/zinc/64/45/20/1032644520.db2.gz DBCDCNGMNKVFDS-LJQANCHMSA-N 2 0 306.469 3.955 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)ccc2c1 ZINC000324218113 1012633558 /nfs/dbraw/zinc/63/35/58/1012633558.db2.gz RAFHAGICTGCTLI-CTNGQTDRSA-N 2 0 324.468 3.812 20 0 DHADRP CCOc1ccccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123193326 1032645614 /nfs/dbraw/zinc/64/56/14/1032645614.db2.gz BQZGSXYYFIBHJS-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)s2)cs1 ZINC000515497942 1012639343 /nfs/dbraw/zinc/63/93/43/1012639343.db2.gz CRUIECBZDDIKPG-QWHCGFSZSA-N 2 0 321.515 3.582 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000579866057 1012764293 /nfs/dbraw/zinc/76/42/93/1012764293.db2.gz GGHXXHZMRWCZTJ-IXDOHACOSA-N 2 0 308.416 3.761 20 0 DHADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]CC1CCSCC1 ZINC000638307400 1012776747 /nfs/dbraw/zinc/77/67/47/1012776747.db2.gz DKXZCSRLKIJFDY-UHFFFAOYSA-N 2 0 304.503 3.515 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000123720282 1032656567 /nfs/dbraw/zinc/65/65/67/1032656567.db2.gz WOCZTDSVUYLPSO-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1cnn(C2CCCC2)c1 ZINC000516964536 1012878851 /nfs/dbraw/zinc/87/88/51/1012878851.db2.gz PFVPRENAZUCLNU-KBXCAEBGSA-N 2 0 304.482 3.556 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)[C@@H]2CCC[C@@H]21 ZINC000425924443 1012956813 /nfs/dbraw/zinc/95/68/13/1012956813.db2.gz MQUKTYJPDVRHKI-WDSOQIARSA-N 2 0 302.437 3.666 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1)C[NH+](C)C ZINC000425941989 1012980799 /nfs/dbraw/zinc/98/07/99/1012980799.db2.gz DEWKXILVCNVLTM-OLZOCXBDSA-N 2 0 316.461 3.892 20 0 DHADRP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000366682684 1012983600 /nfs/dbraw/zinc/98/36/00/1012983600.db2.gz TZIIDPAQIVKHIP-ZWKOTPCHSA-N 2 0 322.537 3.826 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@H](C)C1 ZINC000366687100 1013005179 /nfs/dbraw/zinc/00/51/79/1013005179.db2.gz WALFIOHHXDIVNO-AXYPVASZSA-N 2 0 308.416 3.531 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)C[NH+](C)C)cc1F ZINC000425954682 1013008814 /nfs/dbraw/zinc/00/88/14/1013008814.db2.gz WOSYGIVPTCOKQH-ZVZYQTTQSA-N 2 0 322.468 3.648 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000342743419 1017143524 /nfs/dbraw/zinc/14/35/24/1017143524.db2.gz UNANFQQVOZTSAT-LJQANCHMSA-N 2 0 313.420 3.523 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178040836 1017152402 /nfs/dbraw/zinc/15/24/02/1017152402.db2.gz XVYOKSSALSEFCH-KSZLIROESA-N 2 0 304.478 3.535 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000623657140 1017155359 /nfs/dbraw/zinc/15/53/59/1017155359.db2.gz KKKBCLMXFQCNKY-SFHVURJKSA-N 2 0 309.457 3.570 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000623656568 1017156732 /nfs/dbraw/zinc/15/67/32/1017156732.db2.gz XNDQGYGIQPBQCS-CQSZACIVSA-N 2 0 317.864 3.710 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC001167601747 1017199923 /nfs/dbraw/zinc/19/99/23/1017199923.db2.gz GDUKWDFTLXNZHO-QZTJIDSGSA-N 2 0 310.526 3.636 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000685000498 1017219957 /nfs/dbraw/zinc/21/99/57/1017219957.db2.gz QUTCYWSOJHSKDC-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171446012 1032689769 /nfs/dbraw/zinc/68/97/69/1032689769.db2.gz NVBUISPBJYSLNJ-GOSISDBHSA-N 2 0 318.480 3.879 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000716295999 1032692627 /nfs/dbraw/zinc/69/26/27/1032692627.db2.gz UGRFTWSUQFQPHB-WCQYABFASA-N 2 0 301.261 3.608 20 0 DHADRP FC1(F)CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716619399 1032698092 /nfs/dbraw/zinc/69/80/92/1032698092.db2.gz CVLPWZCHOXSVIQ-XSLAGTTESA-N 2 0 320.427 3.817 20 0 DHADRP Cc1ccoc1CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716642270 1032699178 /nfs/dbraw/zinc/69/91/78/1032699178.db2.gz AIIZSPNMUMXRCY-FHWLQOOXSA-N 2 0 310.441 3.731 20 0 DHADRP C[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1(F)F ZINC000716731673 1032705734 /nfs/dbraw/zinc/70/57/34/1032705734.db2.gz MFLAZAWFWCLGOY-XSLAGTTESA-N 2 0 320.427 3.674 20 0 DHADRP CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1OC(F)F ZINC000339070315 1017534415 /nfs/dbraw/zinc/53/44/15/1017534415.db2.gz MANCFRGGELONTJ-DZKIICNBSA-N 2 0 324.415 3.956 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CC(F)F ZINC000716727108 1032706124 /nfs/dbraw/zinc/70/61/24/1032706124.db2.gz IDLCXPVKRNFXTC-OWLYRPNTSA-N 2 0 322.443 3.920 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623863887 1017540719 /nfs/dbraw/zinc/54/07/19/1017540719.db2.gz BDHKNPUCSGAGPM-LSDHHAIUSA-N 2 0 307.507 3.765 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCCO2)cc1 ZINC000623853998 1017546558 /nfs/dbraw/zinc/54/65/58/1017546558.db2.gz OCTPMNRLDVMREQ-VQIMIIECSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1C(F)(F)F ZINC000623878164 1017550202 /nfs/dbraw/zinc/55/02/02/1017550202.db2.gz ABVAPMJAIUQQJG-LLVKDONJSA-N 2 0 306.347 3.837 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1C(F)(F)F ZINC000624009164 1017633007 /nfs/dbraw/zinc/63/30/07/1017633007.db2.gz PUACWKRAMJCZBO-GMXVVIOVSA-N 2 0 318.358 3.835 20 0 DHADRP C[N@H+](C[C@@]1(C)CCCS1)C1CCN(Cc2ccccc2)CC1 ZINC000628163921 1017661773 /nfs/dbraw/zinc/66/17/73/1017661773.db2.gz XJJQXVLJRUEZBL-LJQANCHMSA-N 2 0 318.530 3.869 20 0 DHADRP C[C@H](C1CC[NH+](C)CC1)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000624072064 1017667879 /nfs/dbraw/zinc/66/78/79/1017667879.db2.gz SUUFTKDBNUFDKM-RDTXWAMCSA-N 2 0 322.880 3.523 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119837 1017691889 /nfs/dbraw/zinc/69/18/89/1017691889.db2.gz KSBCMGNVRQPEKQ-IRXDYDNUSA-N 2 0 304.478 3.856 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000624122980 1017696454 /nfs/dbraw/zinc/69/64/54/1017696454.db2.gz CCZWSDQILLHHKQ-LRYGQEGESA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000624123485 1017696771 /nfs/dbraw/zinc/69/67/71/1017696771.db2.gz MZFDEAQLUNZVBT-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124215 1017697924 /nfs/dbraw/zinc/69/79/24/1017697924.db2.gz ZXNAPRGNLLIMCJ-KXBFYZLASA-N 2 0 311.473 3.867 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000523778462 1017786351 /nfs/dbraw/zinc/78/63/51/1017786351.db2.gz VPYXBVFLTKAKKE-UHFFFAOYSA-N 2 0 300.490 3.729 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccccc1 ZINC000666977303 1032724215 /nfs/dbraw/zinc/72/42/15/1032724215.db2.gz BHHGPWSQSRRNGT-HNNXBMFYSA-N 2 0 323.362 3.670 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445398342 1017846790 /nfs/dbraw/zinc/84/67/90/1017846790.db2.gz STPXYYMXFNZDBU-IAGOWNOFSA-N 2 0 300.490 3.900 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624223892 1017889731 /nfs/dbraw/zinc/88/97/31/1017889731.db2.gz HAPISXGQWLAGOV-MSOLQXFVSA-N 2 0 322.537 3.823 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC001167647000 1017939724 /nfs/dbraw/zinc/93/97/24/1017939724.db2.gz JLBSEVNVAKHHTP-VQTJNVASSA-N 2 0 300.490 3.801 20 0 DHADRP c1cn(CCC[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC000182669970 1017942220 /nfs/dbraw/zinc/94/22/20/1017942220.db2.gz CXSPVXTYWDFANE-UHFFFAOYSA-N 2 0 305.425 3.976 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000624261484 1017976100 /nfs/dbraw/zinc/97/61/00/1017976100.db2.gz UETIRUMPNXZPNM-AGIUHOORSA-N 2 0 318.408 3.729 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658093280 1018067551 /nfs/dbraw/zinc/06/75/51/1018067551.db2.gz UEMUIEADAOWOMN-VYDXJSESSA-N 2 0 304.478 3.650 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000367308124 1018101799 /nfs/dbraw/zinc/10/17/99/1018101799.db2.gz NGGPQBNRUOSLED-MJJDPTRDSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185690748 1018124991 /nfs/dbraw/zinc/12/49/91/1018124991.db2.gz CULLDHBCOPNQDO-QZTJIDSGSA-N 2 0 316.489 3.698 20 0 DHADRP CC1(C)[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(F)F ZINC000657736956 1018136270 /nfs/dbraw/zinc/13/62/70/1018136270.db2.gz AAOKNQBBBGKCLU-OAHLLOKOSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245386852 1018149065 /nfs/dbraw/zinc/14/90/65/1018149065.db2.gz RAJDYECEYIHHTQ-KZNAEPCWSA-N 2 0 316.489 3.569 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCOC(C)(C)C)C2)CC1 ZINC000674909090 1018190722 /nfs/dbraw/zinc/19/07/22/1018190722.db2.gz XLGBASUOPFZNFT-GOSISDBHSA-N 2 0 310.526 3.636 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000446883878 1018286338 /nfs/dbraw/zinc/28/63/38/1018286338.db2.gz KQHVBQPQFUCVGX-UHFFFAOYSA-N 2 0 318.408 3.731 20 0 DHADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446889341 1018289341 /nfs/dbraw/zinc/28/93/41/1018289341.db2.gz VRARVXXQZLRECD-WOJBJXKFSA-N 2 0 312.501 3.862 20 0 DHADRP CC(C)SCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000382040892 1018297421 /nfs/dbraw/zinc/29/74/21/1018297421.db2.gz ILQVPGGAIJXXCV-OALUTQOASA-N 2 0 318.530 3.582 20 0 DHADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000764601630 1018329695 /nfs/dbraw/zinc/32/96/95/1018329695.db2.gz XAMYNKVAPLUECU-ROUUACIJSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)[NH+](CC(O)C[N@@H+](C(C)C)C1CCCC1)C1CCCC1 ZINC000447307939 1018365462 /nfs/dbraw/zinc/36/54/62/1018365462.db2.gz YPXLOTDNLCVOLG-UHFFFAOYSA-N 2 0 310.526 3.653 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccnc(Cl)c1 ZINC000764966011 1018444151 /nfs/dbraw/zinc/44/41/51/1018444151.db2.gz XLDXKOVEKFXUDS-LSDHHAIUSA-N 2 0 309.885 3.898 20 0 DHADRP COCCN(C)CC[C@H]([NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000448055430 1018448150 /nfs/dbraw/zinc/44/81/50/1018448150.db2.gz HLVSMGIYSOQDNB-IBGZPJMESA-N 2 0 316.489 3.618 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000447822968 1018478334 /nfs/dbraw/zinc/47/83/34/1018478334.db2.gz SDSBTAOMRPKXLV-KRWDZBQOSA-N 2 0 312.457 3.520 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000635003473 1018508007 /nfs/dbraw/zinc/50/80/07/1018508007.db2.gz KBSDKNOKDNPPFF-FXAWDEMLSA-N 2 0 311.473 3.863 20 0 DHADRP Cc1ccc([C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000635013264 1018516483 /nfs/dbraw/zinc/51/64/83/1018516483.db2.gz ZQWLLSBGWXJJPB-OAQYLSRUSA-N 2 0 306.453 3.882 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+]CCCC(C)C)CC2)cc1 ZINC000527111893 1018517761 /nfs/dbraw/zinc/51/77/61/1018517761.db2.gz SUVVTQFVXKXGPM-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708123 1018523700 /nfs/dbraw/zinc/52/37/00/1018523700.db2.gz UCRRHPONNCAGFC-BTHPGYMESA-N 2 0 322.537 3.811 20 0 DHADRP CC[C@H](OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710527 1018532786 /nfs/dbraw/zinc/53/27/86/1018532786.db2.gz QSNIHGKPJAGYNA-WTGUMLROSA-N 2 0 316.489 3.665 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@@H]1CC[NH3+] ZINC000650711250 1018538427 /nfs/dbraw/zinc/53/84/27/1018538427.db2.gz NCZFNXWEUBDJQX-WMLDXEAASA-N 2 0 315.486 3.759 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@H]1CC[NH3+] ZINC000650711251 1018539027 /nfs/dbraw/zinc/53/90/27/1018539027.db2.gz NCZFNXWEUBDJQX-YOEHRIQHSA-N 2 0 315.486 3.759 20 0 DHADRP CCC1(C[NH2+]C[C@H](C)COC)CC[NH+](Cc2ccccc2)CC1 ZINC000527354602 1018559772 /nfs/dbraw/zinc/55/97/72/1018559772.db2.gz JZPWZAOYKCKHCX-SFHVURJKSA-N 2 0 318.505 3.551 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718055 1018561539 /nfs/dbraw/zinc/56/15/39/1018561539.db2.gz WDMQCINATVKLTE-GFCCVEGCSA-N 2 0 306.812 3.659 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000675733558 1018565887 /nfs/dbraw/zinc/56/58/87/1018565887.db2.gz AZXGNOGIUMPUGG-LIRRHRJNSA-N 2 0 304.453 3.913 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000675733555 1018566221 /nfs/dbraw/zinc/56/62/21/1018566221.db2.gz AZXGNOGIUMPUGG-AUUYWEPGSA-N 2 0 304.453 3.913 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000675733761 1018567067 /nfs/dbraw/zinc/56/70/67/1018567067.db2.gz LIOJLWPPJJLOFB-ICSRJNTNSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647299431 1018567767 /nfs/dbraw/zinc/56/77/67/1018567767.db2.gz GUFVAIXUVMGQIF-KBPBESRZSA-N 2 0 300.437 3.807 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC2CCCCCC2)C1 ZINC000650725313 1018584978 /nfs/dbraw/zinc/58/49/78/1018584978.db2.gz XYMFEDSARLBKIV-QRVBRYPASA-N 2 0 308.510 3.708 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)COc2c(C)cccc2C)CC1 ZINC000675769615 1018584904 /nfs/dbraw/zinc/58/49/04/1018584904.db2.gz CAAKJQFUVITBNE-QGZVFWFLSA-N 2 0 304.478 3.535 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)[C@@H](C)C1 ZINC000675787602 1018592416 /nfs/dbraw/zinc/59/24/16/1018592416.db2.gz AEQBCFWIQLEDRS-GUYCJALGSA-N 2 0 319.880 3.684 20 0 DHADRP C[C@@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC001171554682 1032775182 /nfs/dbraw/zinc/77/51/82/1032775182.db2.gz NFAQYCJMKXWATQ-KRWDZBQOSA-N 2 0 301.478 3.810 20 0 DHADRP CC[C@@H](Cc1cccs1)[NH2+]CC(C)(C)N1CCC(OC)CC1 ZINC000675833412 1018605246 /nfs/dbraw/zinc/60/52/46/1018605246.db2.gz QBKUWSNUGUDDJG-HNNXBMFYSA-N 2 0 324.534 3.548 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C2 ZINC001171552563 1032775990 /nfs/dbraw/zinc/77/59/90/1032775990.db2.gz ZLWBOVVPNPIVJA-FQEVSTJZSA-N 2 0 308.469 3.704 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000675884062 1018624559 /nfs/dbraw/zinc/62/45/59/1018624559.db2.gz NNAGUWQTKNZFHT-UHFFFAOYSA-N 2 0 304.478 3.554 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccncc1 ZINC000675927521 1018628028 /nfs/dbraw/zinc/62/80/28/1018628028.db2.gz HOJTWMULWZBJHL-MBOZVWFJSA-N 2 0 315.505 3.818 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2C)[C@@H](C)C1 ZINC000675905743 1018630372 /nfs/dbraw/zinc/63/03/72/1018630372.db2.gz AFMVIBBOXQPGHG-HCXYKTFWSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000675930574 1018636403 /nfs/dbraw/zinc/63/64/03/1018636403.db2.gz WFQHALTVZNXSMB-GZBFAFLISA-N 2 0 306.416 3.675 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(C)o1 ZINC000278383186 1018639242 /nfs/dbraw/zinc/63/92/42/1018639242.db2.gz DFGRSOGUPGFMJD-HNNXBMFYSA-N 2 0 316.445 3.688 20 0 DHADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650745812 1018640961 /nfs/dbraw/zinc/64/09/61/1018640961.db2.gz OGFUKLFDKMJAPW-GOSISDBHSA-N 2 0 304.478 3.891 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc2c1 ZINC000315401200 1032777336 /nfs/dbraw/zinc/77/73/36/1032777336.db2.gz UYBFYPLACAZCFI-LSDHHAIUSA-N 2 0 300.446 3.839 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c(F)c1 ZINC000650754574 1018679526 /nfs/dbraw/zinc/67/95/26/1018679526.db2.gz LWYDESUBXNNWHJ-QGZVFWFLSA-N 2 0 304.796 3.715 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000650756995 1018685477 /nfs/dbraw/zinc/68/54/77/1018685477.db2.gz LXKUMVLGHKGTFO-DYESRHJHSA-N 2 0 324.468 3.664 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650762841 1018709215 /nfs/dbraw/zinc/70/92/15/1018709215.db2.gz LODFLQIQQJKBMW-ROUUACIJSA-N 2 0 306.881 3.955 20 0 DHADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650762839 1018710398 /nfs/dbraw/zinc/71/03/98/1018710398.db2.gz LODFLQIQQJKBMW-MSOLQXFVSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1cccc2c1CC[C@@H]([N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171558928 1032780825 /nfs/dbraw/zinc/78/08/25/1032780825.db2.gz QQJAFARPLUUTBI-VAMGGRTRSA-N 2 0 312.501 3.834 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000765238241 1018726783 /nfs/dbraw/zinc/72/67/83/1018726783.db2.gz NOPHRQYWORUMBV-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000057844281 1018740613 /nfs/dbraw/zinc/74/06/13/1018740613.db2.gz DBUXOTSSUDMAIB-UHFFFAOYSA-N 2 0 318.505 3.646 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C2 ZINC001171563261 1032784705 /nfs/dbraw/zinc/78/47/05/1032784705.db2.gz GVNZNMLGBLVTTP-KVZIAJEVSA-N 2 0 300.490 3.562 20 0 DHADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC[C@H]2CC2(Cl)Cl)CCC1 ZINC000903811194 1018762202 /nfs/dbraw/zinc/76/22/02/1018762202.db2.gz JNQIKUZVRYQACW-STQMWFEESA-N 2 0 305.293 3.554 20 0 DHADRP c1ccc2c(c1)ccnc2CNC1CC[NH+](C2CCCC2)CC1 ZINC000765404742 1018777854 /nfs/dbraw/zinc/77/78/54/1018777854.db2.gz MNEZJJXIPAOTCG-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP CCOc1cccc([C@@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000765430482 1018783330 /nfs/dbraw/zinc/78/33/30/1018783330.db2.gz YHOWMISJSHDUIM-OAHLLOKOSA-N 2 0 302.462 3.753 20 0 DHADRP CCCOc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812168 1018796524 /nfs/dbraw/zinc/79/65/24/1018796524.db2.gz NLOVRDSKEBNYMA-UHFFFAOYSA-N 2 0 316.489 3.687 20 0 DHADRP FC(F)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657813622 1018799998 /nfs/dbraw/zinc/79/99/98/1018799998.db2.gz UVMKBRFSOJBIKF-UHFFFAOYSA-N 2 0 308.416 3.836 20 0 DHADRP CC(C)(C)c1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657812907 1018812845 /nfs/dbraw/zinc/81/28/45/1018812845.db2.gz WEOPBQAAXGPETF-UHFFFAOYSA-N 2 0 321.534 3.652 20 0 DHADRP C[C@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000624267461 1018824931 /nfs/dbraw/zinc/82/49/31/1018824931.db2.gz NUSYCLFCPIPWFI-INIZCTEOSA-N 2 0 309.457 3.569 20 0 DHADRP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571454 1032788644 /nfs/dbraw/zinc/78/86/44/1032788644.db2.gz YIZMTTKFJMSNHZ-IBGZPJMESA-N 2 0 300.490 3.659 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)CC(F)F ZINC000647318499 1018834279 /nfs/dbraw/zinc/83/42/79/1018834279.db2.gz QJWAFQYOGQLMDA-OFQRWUPVSA-N 2 0 302.453 3.910 20 0 DHADRP C1CC[NH+](C2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)CC1 ZINC000921823225 1018912504 /nfs/dbraw/zinc/91/25/04/1018912504.db2.gz SZQSCOWLTCFECD-SNBPALBFSA-N 2 0 320.521 3.578 20 0 DHADRP COc1ccc2c(c1)C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171632133 1032794886 /nfs/dbraw/zinc/79/48/86/1032794886.db2.gz VSJNXVUISWUROC-UHFFFAOYSA-N 2 0 316.489 3.705 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000656193173 1018942771 /nfs/dbraw/zinc/94/27/71/1018942771.db2.gz WULPGBZGMDTTEP-LEWJYISDSA-N 2 0 324.468 3.763 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCSCC1 ZINC000657828476 1018949313 /nfs/dbraw/zinc/94/93/13/1018949313.db2.gz UACSLOUOENAUPG-SFHVURJKSA-N 2 0 306.519 3.904 20 0 DHADRP CCOc1c(Cl)cccc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993989 1032797789 /nfs/dbraw/zinc/79/77/89/1032797789.db2.gz ZVJYXAUGIKJLCY-CQSZACIVSA-N 2 0 308.853 3.503 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684220 1018968137 /nfs/dbraw/zinc/96/81/37/1018968137.db2.gz HHVKQAAIPGUKOJ-MRXNPFEDSA-N 2 0 306.881 3.519 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000584140024 1018974837 /nfs/dbraw/zinc/97/48/37/1018974837.db2.gz NOFHRSLHYSKWGY-UHFFFAOYSA-N 2 0 300.446 3.987 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686521 1018980354 /nfs/dbraw/zinc/98/03/54/1018980354.db2.gz YUXOXOICAYTZCN-BFYDXBDKSA-N 2 0 320.908 3.765 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000252699955 1019012768 /nfs/dbraw/zinc/01/27/68/1019012768.db2.gz XDIDHASIYPNGAU-TYNCELHUSA-N 2 0 311.267 3.569 20 0 DHADRP Cc1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)c(C[NH+](C)C)c1 ZINC001168550323 1019037194 /nfs/dbraw/zinc/03/71/94/1019037194.db2.gz YTHGLDZROOKWGA-MRXNPFEDSA-N 2 0 309.457 3.641 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(Br)c1 ZINC000387269477 1019069168 /nfs/dbraw/zinc/06/91/68/1019069168.db2.gz DDPICCVOLXLTRK-UHFFFAOYSA-N 2 0 313.283 3.659 20 0 DHADRP C[C@@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc(O)cc1 ZINC001171623431 1032807239 /nfs/dbraw/zinc/80/72/39/1032807239.db2.gz YJLXQFAQTFGSCL-AWEZNQCLSA-N 2 0 304.478 3.737 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc3ncoc32)CC1(C)C ZINC001171625087 1032806313 /nfs/dbraw/zinc/80/63/13/1032806313.db2.gz BHNOAEJXAMOKGW-UHFFFAOYSA-N 2 0 301.434 3.569 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCC(=O)c2ccccc2)CC1(C)C ZINC001171623766 1032806935 /nfs/dbraw/zinc/80/69/35/1032806935.db2.gz FRBVBJYLGTUZLT-UHFFFAOYSA-N 2 0 302.462 3.500 20 0 DHADRP C[N@@H+]1CC[C@@H](c2ccc(N3C[C@@H](CC[NH3+])c4ccccc43)cc2)C1 ZINC001168554905 1019122521 /nfs/dbraw/zinc/12/25/21/1019122521.db2.gz GMWRARSLOYOODS-QZTJIDSGSA-N 2 0 321.468 3.690 20 0 DHADRP Cc1nc(C)c([C@@H](C)[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000923322477 1019131719 /nfs/dbraw/zinc/13/17/19/1019131719.db2.gz LUEQDRDUBPFVJE-OHRKKDJYSA-N 2 0 307.507 3.673 20 0 DHADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635006647 1019131881 /nfs/dbraw/zinc/13/18/81/1019131881.db2.gz MHFCPVHJNSZMRT-ZFWWWQNUSA-N 2 0 302.384 3.657 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CCCCCC3)C2)cc1 ZINC000076443462 1019138947 /nfs/dbraw/zinc/13/89/47/1019138947.db2.gz QCJAPSDDDGVNLL-IBGZPJMESA-N 2 0 300.490 3.863 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC001171627133 1032809978 /nfs/dbraw/zinc/80/99/78/1032809978.db2.gz LIYBQBBJWPRYBC-UHFFFAOYSA-N 2 0 317.521 3.909 20 0 DHADRP CC[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC)cc1 ZINC000923377962 1019158406 /nfs/dbraw/zinc/15/84/06/1019158406.db2.gz YKYMYFGPXOYOKV-SOXMVSPVSA-N 2 0 302.462 3.657 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC[N@@H+]1C ZINC000624291261 1019163843 /nfs/dbraw/zinc/16/38/43/1019163843.db2.gz OPXQAEVHEYQAPM-WCQYABFASA-N 2 0 323.843 3.575 20 0 DHADRP CS[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000921962267 1019223031 /nfs/dbraw/zinc/22/30/31/1019223031.db2.gz XDRGUXGAYFLHBF-AEFFLSMTSA-N 2 0 319.518 3.562 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC000081635638 1019223268 /nfs/dbraw/zinc/22/32/68/1019223268.db2.gz XNRSOJNEKXUKCK-IBGZPJMESA-N 2 0 316.489 3.509 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000671742936 1019282727 /nfs/dbraw/zinc/28/27/27/1019282727.db2.gz ROLKUUKVYGMQOT-CEXWTWQISA-N 2 0 300.490 3.817 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000347927147 1019325515 /nfs/dbraw/zinc/32/55/15/1019325515.db2.gz CBBDQHGQYAEXCI-MBOZVWFJSA-N 2 0 315.505 3.891 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1scnc1C1CC1 ZINC000486950757 1019354863 /nfs/dbraw/zinc/35/48/63/1019354863.db2.gz MRXFSCRVGKSMOX-AWEZNQCLSA-N 2 0 307.507 3.765 20 0 DHADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522848 1019408612 /nfs/dbraw/zinc/40/86/12/1019408612.db2.gz SATDSZLBSHZHFW-HAGHYFMRSA-N 2 0 322.537 3.559 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000926566441 1019446109 /nfs/dbraw/zinc/44/61/09/1019446109.db2.gz ZVYPVNQHOSGHIW-SFHVURJKSA-N 2 0 317.521 3.893 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000161568781 1019454382 /nfs/dbraw/zinc/45/43/82/1019454382.db2.gz OXOOSIDZTIQSMO-UHFFFAOYSA-N 2 0 306.881 3.836 20 0 DHADRP C[NH+]1C(C)(C)CC(N2CCCC[C@H]2C[NH+]2CCCC2)CC1(C)C ZINC001171636904 1032833851 /nfs/dbraw/zinc/83/38/51/1032833851.db2.gz JZTMRXNMHHETIT-KRWDZBQOSA-N 2 0 321.553 3.588 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cn2)cc1 ZINC000092195447 1019483832 /nfs/dbraw/zinc/48/38/32/1019483832.db2.gz QSVYFGGNQJYCGR-HNNXBMFYSA-N 2 0 315.436 3.913 20 0 DHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171682444 1032835614 /nfs/dbraw/zinc/83/56/14/1032835614.db2.gz VPTCSQYTOCWIAX-YSIASYRMSA-N 2 0 300.490 3.590 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000163070780 1019563083 /nfs/dbraw/zinc/56/30/83/1019563083.db2.gz JPYFUCBIJCRSDD-HNAYVOBHSA-N 2 0 304.478 3.712 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666086373 1019580571 /nfs/dbraw/zinc/58/05/71/1019580571.db2.gz GCLSTZGQWNGMJT-ZBFHGGJFSA-N 2 0 306.881 3.519 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCOC3(CCCCC3)C2)CC1(C)C ZINC001171643999 1032837808 /nfs/dbraw/zinc/83/78/08/1032837808.db2.gz ZGEGYPGGGCNJFJ-UHFFFAOYSA-N 2 0 308.510 3.673 20 0 DHADRP C[C@H]1C[C@@H](n2c(C[NH3+])cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171725874 1032847628 /nfs/dbraw/zinc/84/76/28/1032847628.db2.gz OSMSXRYHRJOSSJ-OXJNMPFZSA-N 2 0 319.452 3.936 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc3ccccc3c2)c1 ZINC000727465640 1019717221 /nfs/dbraw/zinc/71/72/21/1019717221.db2.gz NIYIUTZCPWYZKV-UHFFFAOYSA-N 2 0 305.425 3.586 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000060816739 1019723235 /nfs/dbraw/zinc/72/32/35/1019723235.db2.gz KXARFZCWCFKAAV-UHFFFAOYSA-N 2 0 306.494 3.789 20 0 DHADRP C([C@@H]1CCCO1)N1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657360331 1019739258 /nfs/dbraw/zinc/73/92/58/1019739258.db2.gz CKJKIPXTYWKZTK-QLOJAFMTSA-N 2 0 320.521 3.578 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166022060 1019768662 /nfs/dbraw/zinc/76/86/62/1019768662.db2.gz UXEZPXYHDCWWOV-FXAWDEMLSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@@H](CC[NH2+][C@@H]1CCCSCC1)[N@H+](C)Cc1ccccc1 ZINC000657900151 1019900812 /nfs/dbraw/zinc/90/08/12/1019900812.db2.gz MRXOZPVCPXCFFF-FUHWJXTLSA-N 2 0 306.519 3.772 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000858357980 1032860902 /nfs/dbraw/zinc/86/09/02/1032860902.db2.gz LLJGZTXJUTZFRQ-LPHOPBHVSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000671749902 1019928259 /nfs/dbraw/zinc/92/82/59/1019928259.db2.gz IQFGOLILNUOQCR-UVPYHEFZSA-N 2 0 318.427 3.818 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168717809 1019941385 /nfs/dbraw/zinc/94/13/85/1019941385.db2.gz KAGQRTRBSILCID-ZBFHGGJFSA-N 2 0 306.881 3.648 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c1 ZINC000922302646 1019984703 /nfs/dbraw/zinc/98/47/03/1019984703.db2.gz CQLSGBPHRDKIQT-UHFFFAOYSA-N 2 0 309.885 3.644 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000158265429 1020017616 /nfs/dbraw/zinc/01/76/16/1020017616.db2.gz NWXCGAIVJBZWOG-XHDPSFHLSA-N 2 0 313.272 3.912 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C(F)F)nc1 ZINC000658022754 1020093550 /nfs/dbraw/zinc/09/35/50/1020093550.db2.gz DOCFSGPDWOKHTK-AWEZNQCLSA-N 2 0 311.420 3.936 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000922504926 1020104900 /nfs/dbraw/zinc/10/49/00/1020104900.db2.gz OYLQAWDAZDUWCZ-UHFFFAOYSA-N 2 0 319.518 3.907 20 0 DHADRP CC[C@H]1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000922505988 1020106696 /nfs/dbraw/zinc/10/66/96/1020106696.db2.gz WKQLNDWIBFEBLN-BMHOQUIDSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(C(F)F)nc1 ZINC000658036073 1020107609 /nfs/dbraw/zinc/10/76/09/1020107609.db2.gz TZJSVBTXDCHGLS-LLVKDONJSA-N 2 0 302.328 3.518 20 0 DHADRP Cc1ccsc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069960 1020129169 /nfs/dbraw/zinc/12/91/69/1020129169.db2.gz SDEKEYMTRNOQMP-OAHLLOKOSA-N 2 0 322.518 3.598 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658090251 1020135897 /nfs/dbraw/zinc/13/58/97/1020135897.db2.gz HGFJTKNRCMANDP-ILZDJORESA-N 2 0 322.537 3.824 20 0 DHADRP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c2ccccc2n1 ZINC000074353321 1020137984 /nfs/dbraw/zinc/13/79/84/1020137984.db2.gz OBRXEJGPIFMVBY-UHFFFAOYSA-N 2 0 311.473 3.848 20 0 DHADRP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658134839 1020168052 /nfs/dbraw/zinc/16/80/52/1020168052.db2.gz CASPJNMTLSPKHB-QFBILLFUSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165283 1020200102 /nfs/dbraw/zinc/20/01/02/1020200102.db2.gz HYRYCDOKRZFVDT-YRWFTTLQSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658217679 1020246837 /nfs/dbraw/zinc/24/68/37/1020246837.db2.gz HIUMXUKFZYZPGW-BHYGNILZSA-N 2 0 308.416 3.532 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658250068 1020256620 /nfs/dbraw/zinc/25/66/20/1020256620.db2.gz AFRRUJKMPAUFJC-IAGOWNOFSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658250130 1020257221 /nfs/dbraw/zinc/25/72/21/1020257221.db2.gz AXBXARYINCEGKN-IAGOWNOFSA-N 2 0 308.510 3.575 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000922845810 1020304250 /nfs/dbraw/zinc/30/42/50/1020304250.db2.gz UCKAFXIOAILREW-RQOWECAXSA-N 2 0 320.427 3.975 20 0 DHADRP CC[N@H+](CCC1CCN(c2cc[nH+]c(C)c2)CC1)CC(C)C ZINC000477726801 1032890873 /nfs/dbraw/zinc/89/08/73/1032890873.db2.gz VJMICALIFBFCGS-UHFFFAOYSA-N 2 0 303.494 3.974 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cn1 ZINC000658352942 1020320825 /nfs/dbraw/zinc/32/08/25/1020320825.db2.gz AMPVGKHSSAKAMI-CYBMUJFWSA-N 2 0 307.869 3.508 20 0 DHADRP Fc1ccccc1C1CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000658354433 1020321034 /nfs/dbraw/zinc/32/10/34/1020321034.db2.gz CTSKMAKTCPOXLA-UHFFFAOYSA-N 2 0 316.464 3.783 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421821514 1020322233 /nfs/dbraw/zinc/32/22/33/1020322233.db2.gz RVFKUMKDWNYKFQ-MJGOQNOKSA-N 2 0 315.505 3.573 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(F)c1F ZINC000658356470 1020322356 /nfs/dbraw/zinc/32/23/56/1020322356.db2.gz OHYNAEOTBPOFCG-CYBMUJFWSA-N 2 0 308.416 3.737 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000623655192 1020337616 /nfs/dbraw/zinc/33/76/16/1020337616.db2.gz QSWMUIFNHQDOHU-AWEZNQCLSA-N 2 0 300.368 3.527 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000623657807 1020341966 /nfs/dbraw/zinc/34/19/66/1020341966.db2.gz ZMEAFSYIROQURT-GOEBONIOSA-N 2 0 306.881 3.519 20 0 DHADRP Clc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000166388115 1020346874 /nfs/dbraw/zinc/34/68/74/1020346874.db2.gz ISYCDCDEBDEUER-HZPDHXFCSA-N 2 0 317.864 3.580 20 0 DHADRP CN1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CC1 ZINC000922887367 1020372159 /nfs/dbraw/zinc/37/21/59/1020372159.db2.gz MMPUDTYDSALSSU-CTNGQTDRSA-N 2 0 322.452 3.935 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000892453564 1020373533 /nfs/dbraw/zinc/37/35/33/1020373533.db2.gz FLIWBOFWRNAIOL-GOSISDBHSA-N 2 0 318.461 3.908 20 0 DHADRP CCC[C@@H](C)CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000625117028 1020379170 /nfs/dbraw/zinc/37/91/70/1020379170.db2.gz DFLIZPVNVHTGOG-AQNXPRMDSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1ccccc1OCc1ccccc1 ZINC000390772177 1020395037 /nfs/dbraw/zinc/39/50/37/1020395037.db2.gz KGPDTCXXXGYVCW-QFBILLFUSA-N 2 0 310.441 3.577 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000655825621 1020404744 /nfs/dbraw/zinc/40/47/44/1020404744.db2.gz KODWSGYZXJMXMK-BGYRXZFFSA-N 2 0 324.468 3.695 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628236021 1020430438 /nfs/dbraw/zinc/43/04/38/1020430438.db2.gz MOJSVLPUIYWAQO-UHFFFAOYSA-N 2 0 314.395 3.569 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628252282 1020455058 /nfs/dbraw/zinc/45/50/58/1020455058.db2.gz OOAUAQAKKSWBDV-MRXNPFEDSA-N 2 0 314.395 3.664 20 0 DHADRP C[C@H](C[NH2+][C@H](CCC1CCCC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000565970429 1032906341 /nfs/dbraw/zinc/90/63/41/1032906341.db2.gz BKJAMEZGYKGJHR-IEBWSBKVSA-N 2 0 323.569 3.597 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCCCC2 ZINC000378878428 1020522978 /nfs/dbraw/zinc/52/29/78/1020522978.db2.gz CSGVNANLXQYQKK-ROUUACIJSA-N 2 0 322.537 3.967 20 0 DHADRP CSc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000642621113 1020548407 /nfs/dbraw/zinc/54/84/07/1020548407.db2.gz VBJFQYPJYOSYMD-HOTGVXAUSA-N 2 0 306.519 3.866 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCc2c(Cl)cccc2Cl)CC1 ZINC000422729800 1020586460 /nfs/dbraw/zinc/58/64/60/1020586460.db2.gz CLBOICCISCHFGF-UHFFFAOYSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000766045676 1020597222 /nfs/dbraw/zinc/59/72/22/1020597222.db2.gz TUVJEONBLBQSSA-KSSFIOAISA-N 2 0 304.478 3.639 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926685125 1020649143 /nfs/dbraw/zinc/64/91/43/1020649143.db2.gz XQMOAUSEHMKKRJ-DNVCBOLYSA-N 2 0 304.478 3.604 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000668783738 1020698861 /nfs/dbraw/zinc/69/88/61/1020698861.db2.gz UPICGDPTKMYRQF-IRXDYDNUSA-N 2 0 310.551 3.618 20 0 DHADRP CCN(CC)CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957860 1032924150 /nfs/dbraw/zinc/92/41/50/1032924150.db2.gz FWNBPGFNDJJJIT-ZDUSSCGKSA-N 2 0 302.384 3.568 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281032665 1020747315 /nfs/dbraw/zinc/74/73/15/1020747315.db2.gz GCYSZPASMRLMLG-BPQIPLTHSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310106073 1020766033 /nfs/dbraw/zinc/76/60/33/1020766033.db2.gz CWPXYUNZDXSMLZ-IOMROCGXSA-N 2 0 320.480 3.827 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCCC[NH+](C)C ZINC001171958918 1032926827 /nfs/dbraw/zinc/92/68/27/1032926827.db2.gz LGCXHCCCWFARFE-AWEZNQCLSA-N 2 0 316.411 3.958 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC001171962081 1032933569 /nfs/dbraw/zinc/93/35/69/1032933569.db2.gz BHOLWMQRKRKIBL-GOSISDBHSA-N 2 0 312.457 3.855 20 0 DHADRP CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000766227437 1020852720 /nfs/dbraw/zinc/85/27/20/1020852720.db2.gz VORCBAQWNVLAQL-YXJHDRRASA-N 2 0 322.518 3.562 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414079967 1020859712 /nfs/dbraw/zinc/85/97/12/1020859712.db2.gz SIIUDYBITYCWJF-MRXNPFEDSA-N 2 0 304.478 3.776 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000613256910 1020877715 /nfs/dbraw/zinc/87/77/15/1020877715.db2.gz JKMSXPGUWBUARG-UHFFFAOYSA-N 2 0 302.462 3.607 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171966578 1032937954 /nfs/dbraw/zinc/93/79/54/1032937954.db2.gz LSBYGLYDPPAWDS-OALUTQOASA-N 2 0 316.489 3.588 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000414132733 1020922733 /nfs/dbraw/zinc/92/27/33/1020922733.db2.gz ZVLLWZHDLBXJSD-SJORKVTESA-N 2 0 304.478 3.775 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1 ZINC000414132732 1020923617 /nfs/dbraw/zinc/92/36/17/1020923617.db2.gz ZVLLWZHDLBXJSD-IRXDYDNUSA-N 2 0 304.478 3.775 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000414162855 1020951303 /nfs/dbraw/zinc/95/13/03/1020951303.db2.gz HUZKTGTYHUMBLJ-WMLDXEAASA-N 2 0 306.881 3.593 20 0 DHADRP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000414170064 1020958554 /nfs/dbraw/zinc/95/85/54/1020958554.db2.gz BOJXYOWIXNDBLX-LPHOPBHVSA-N 2 0 304.478 3.858 20 0 DHADRP COCCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000414175976 1020964394 /nfs/dbraw/zinc/96/43/94/1020964394.db2.gz HTOWSXXRZYEBKL-LPHOPBHVSA-N 2 0 322.468 3.615 20 0 DHADRP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C2CC2)cc1 ZINC000171127984 1020979538 /nfs/dbraw/zinc/97/95/38/1020979538.db2.gz FPHDFGLCNQCCPY-OAQYLSRUSA-N 2 0 324.468 3.998 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000414190738 1020980707 /nfs/dbraw/zinc/98/07/07/1020980707.db2.gz SBGSWAWQAKKIQE-CZUORRHYSA-N 2 0 308.466 3.684 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)[C@H](C)C1 ZINC000414192743 1020981074 /nfs/dbraw/zinc/98/10/74/1020981074.db2.gz MJDJLRNBRFKFFT-MDNKFWRPSA-N 2 0 322.537 3.539 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000414194383 1020982158 /nfs/dbraw/zinc/98/21/58/1020982158.db2.gz URLICLIAGZLGBA-PBHICJAKSA-N 2 0 322.880 3.875 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCC[C@@H]4C[C@@H]42)C3)cc1 ZINC000414206084 1020993510 /nfs/dbraw/zinc/99/35/10/1020993510.db2.gz JECZYLHNVJFYBS-SQDPYLFBSA-N 2 0 310.485 3.960 20 0 DHADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000180024446 1021034397 /nfs/dbraw/zinc/03/43/97/1021034397.db2.gz OYFNNXUOXBNGEJ-OAHLLOKOSA-N 2 0 312.461 3.555 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)OCC3CC3)CC2)C1 ZINC000414269504 1021047537 /nfs/dbraw/zinc/04/75/37/1021047537.db2.gz OPBXFGHWLNPWNI-VQIMIIECSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000414343632 1021112908 /nfs/dbraw/zinc/11/29/08/1021112908.db2.gz QXIBUTUSGYCEHT-WMZOPIPTSA-N 2 0 324.553 3.806 20 0 DHADRP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889763 1021155918 /nfs/dbraw/zinc/15/59/18/1021155918.db2.gz VVGUQAOMSWMFAB-UHFFFAOYSA-N 2 0 304.453 3.914 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCC2)cc1 ZINC000647549090 1021157403 /nfs/dbraw/zinc/15/74/03/1021157403.db2.gz HXKNUDAEXRTWPE-HDMKZQKVSA-N 2 0 318.892 3.739 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000647552692 1021159923 /nfs/dbraw/zinc/15/99/23/1021159923.db2.gz QZEOWJVAIYJTGJ-CABCVRRESA-N 2 0 316.420 3.620 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423323185 1021175209 /nfs/dbraw/zinc/17/52/09/1021175209.db2.gz ACPGPZZFQYNBKD-PPWQZUPISA-N 2 0 306.416 3.723 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000423407356 1021197144 /nfs/dbraw/zinc/19/71/44/1021197144.db2.gz ZYUWSPDFPDQWRR-TXPKVOOTSA-N 2 0 302.462 3.786 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCSCc2ccccc2)C1 ZINC000090551761 1021234036 /nfs/dbraw/zinc/23/40/36/1021234036.db2.gz GBCMBMWRBFKNSS-GOSISDBHSA-N 2 0 306.519 3.584 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000537971865 1032968604 /nfs/dbraw/zinc/96/86/04/1032968604.db2.gz KGRUCHWEDOFWMD-ZIFCJYIRSA-N 2 0 318.505 3.843 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892668585 1021249279 /nfs/dbraw/zinc/24/92/79/1021249279.db2.gz OEFQBMTYWKDKIP-VQCLRJIVSA-N 2 0 308.416 3.532 20 0 DHADRP C[N@H+](CCCC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001202433576 1021267732 /nfs/dbraw/zinc/26/77/32/1021267732.db2.gz SWTDHSVPDHFHAP-INIZCTEOSA-N 2 0 314.395 3.783 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000091348410 1021279994 /nfs/dbraw/zinc/27/99/94/1021279994.db2.gz UPGXWADTAVIDFV-FQEVSTJZSA-N 2 0 316.489 3.858 20 0 DHADRP CC1(C)C[C@@H](n2cccc2CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171977248 1032964854 /nfs/dbraw/zinc/96/48/54/1032964854.db2.gz ZMZLFWQYDQOLOT-IBGZPJMESA-N 2 0 311.473 3.605 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCCO2 ZINC000624120845 1021405874 /nfs/dbraw/zinc/40/58/74/1021405874.db2.gz ICZFTIWCZRCRHN-WMZOPIPTSA-N 2 0 302.462 3.530 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCCO2 ZINC000624120843 1021408205 /nfs/dbraw/zinc/40/82/05/1021408205.db2.gz ICZFTIWCZRCRHN-FUHWJXTLSA-N 2 0 302.462 3.530 20 0 DHADRP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077018 1032980109 /nfs/dbraw/zinc/98/01/09/1032980109.db2.gz OFOMAPXTYKOQQM-HAGHYFMRSA-N 2 0 316.489 3.587 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1SC ZINC000624121444 1021466279 /nfs/dbraw/zinc/46/62/79/1021466279.db2.gz WMWQJMVONAQILC-CABCVRRESA-N 2 0 322.518 3.800 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069377598 1021476533 /nfs/dbraw/zinc/47/65/33/1021476533.db2.gz XVWAOORPVISIPO-GJZGRUSLSA-N 2 0 306.416 3.819 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000624122252 1021509092 /nfs/dbraw/zinc/50/90/92/1021509092.db2.gz NDUCIGVNJSUJLI-AEFFLSMTSA-N 2 0 304.478 3.776 20 0 DHADRP COc1c(C)cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1C ZINC000850420005 1021522458 /nfs/dbraw/zinc/52/24/58/1021522458.db2.gz JSEXBRYKZCPXHH-UHFFFAOYSA-N 2 0 316.489 3.524 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000850420417 1021522952 /nfs/dbraw/zinc/52/29/52/1021522952.db2.gz OLSUEBCCSYUUNJ-HOTGVXAUSA-N 2 0 318.427 3.819 20 0 DHADRP Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098463 1032987914 /nfs/dbraw/zinc/98/79/14/1032987914.db2.gz FFFPKDHMUBGTFL-PIIMJCKOSA-N 2 0 311.473 3.639 20 0 DHADRP c1coc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172062287 1032988008 /nfs/dbraw/zinc/98/80/08/1032988008.db2.gz LYHYECNKMWVDKA-ACDBMABISA-N 2 0 324.468 3.997 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2C=CCC2)ccc1OC ZINC000850510939 1021568634 /nfs/dbraw/zinc/56/86/34/1021568634.db2.gz YBZFSUBJPUDDNG-CRAIPNDOSA-N 2 0 302.462 3.906 20 0 DHADRP c1coc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172062288 1032990445 /nfs/dbraw/zinc/99/04/45/1032990445.db2.gz LYHYECNKMWVDKA-OWZKRDHZSA-N 2 0 324.468 3.997 20 0 DHADRP ClC1(Cl)C[C@@H]1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686948 1021607398 /nfs/dbraw/zinc/60/73/98/1021607398.db2.gz ZAHVDWGTRHCHEI-LSDHHAIUSA-N 2 0 319.320 3.768 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714856 1021631537 /nfs/dbraw/zinc/63/15/37/1021631537.db2.gz LIKFEEUNFDAIJX-ZIFCJYIRSA-N 2 0 312.457 3.711 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000093688713 1021651072 /nfs/dbraw/zinc/65/10/72/1021651072.db2.gz GRIMBCOFPOVFPK-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000093770091 1021675824 /nfs/dbraw/zinc/67/58/24/1021675824.db2.gz UTAHCCCTCQATDA-SFHVURJKSA-N 2 0 316.489 3.782 20 0 DHADRP CN(Cc1ccccc1)CC(C)(C)[NH2+]CCc1cccs1 ZINC000379664779 1021729851 /nfs/dbraw/zinc/72/98/51/1021729851.db2.gz QIIUQNZZJKHFJL-UHFFFAOYSA-N 2 0 302.487 3.791 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCc3ccccc32)[C@H](C)C1 ZINC000538195933 1033007040 /nfs/dbraw/zinc/00/70/40/1033007040.db2.gz YMWJYJJMKODECO-LSTHTHJFSA-N 2 0 300.490 3.601 20 0 DHADRP CCCC[NH+](CCCC)CCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105035 1033002635 /nfs/dbraw/zinc/00/26/35/1033002635.db2.gz HUTYAVASYOMOGU-ACDBMABISA-N 2 0 323.569 3.884 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893000937 1021786565 /nfs/dbraw/zinc/78/65/65/1021786565.db2.gz XVQMEEPGEBMCQH-LRCWTTKQSA-N 2 0 322.880 3.631 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000538196748 1033007579 /nfs/dbraw/zinc/00/75/79/1033007579.db2.gz YNUGPHWFWLORHG-QGZVFWFLSA-N 2 0 318.505 3.728 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000926889975 1021792899 /nfs/dbraw/zinc/79/28/99/1021792899.db2.gz SOCVOGWOAINTHT-IQNGYNMSSA-N 2 0 322.537 3.704 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3c3c1CC[C@H]([NH3+])C3)C2 ZINC001172106237 1033004901 /nfs/dbraw/zinc/00/49/01/1033004901.db2.gz NZLUBWOTEULJIS-MWDXBVQZSA-N 2 0 323.484 3.645 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(-n2ccnc2)c1 ZINC000763439858 1021831100 /nfs/dbraw/zinc/83/11/00/1021831100.db2.gz GMYKSGJYXPQDEA-OAHLLOKOSA-N 2 0 319.408 3.753 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cccc(Cl)c1F)C2 ZINC001172111337 1033010421 /nfs/dbraw/zinc/01/04/21/1033010421.db2.gz QMGMKIAXTVFGMY-QKDCVEJESA-N 2 0 310.844 3.627 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000556865375 1021899772 /nfs/dbraw/zinc/89/97/72/1021899772.db2.gz LKKQKVDYJRLSGA-IXDOHACOSA-N 2 0 324.921 3.895 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000556872490 1021914138 /nfs/dbraw/zinc/91/41/38/1021914138.db2.gz YAQLOPYABSRJIM-BEFRKJEDSA-N 2 0 304.453 3.912 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000556872851 1021915751 /nfs/dbraw/zinc/91/57/51/1021915751.db2.gz RWYLFCXKGFEPBO-HZPDHXFCSA-N 2 0 324.459 3.996 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ccccn3)cc1)C2 ZINC001172112462 1033015251 /nfs/dbraw/zinc/01/52/51/1033015251.db2.gz XEDKPYSVZKNCKI-ACDBMABISA-N 2 0 321.468 3.854 20 0 DHADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000556887276 1021921377 /nfs/dbraw/zinc/92/13/77/1021921377.db2.gz SOHWCDZIABJMJA-BBWFWOEESA-N 2 0 322.880 3.701 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@H]2CCC[C@H]21 ZINC000556880938 1021927604 /nfs/dbraw/zinc/92/76/04/1021927604.db2.gz ZGLLUDQMWRMXII-QSGLGXSPSA-N 2 0 320.427 3.673 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000556880931 1021929099 /nfs/dbraw/zinc/92/90/99/1021929099.db2.gz ZGLLUDQMWRMXII-CTXVOCDESA-N 2 0 320.427 3.673 20 0 DHADRP C1CC1[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655788373 1021937283 /nfs/dbraw/zinc/93/72/83/1021937283.db2.gz IBEIZIQCGIDKOS-UXHICEINSA-N 2 0 320.521 3.721 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccncc1Cl)C1CC1)C2 ZINC001172112383 1033017541 /nfs/dbraw/zinc/01/75/41/1033017541.db2.gz WHMONMHBAYHWLS-AFIMGQEJSA-N 2 0 319.880 3.791 20 0 DHADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000556924111 1021948432 /nfs/dbraw/zinc/94/84/32/1021948432.db2.gz FZJMJRWSWKFIOC-HOJAQTOUSA-N 2 0 316.489 3.618 20 0 DHADRP Oc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000379814625 1021970393 /nfs/dbraw/zinc/97/03/93/1021970393.db2.gz QISVFBQXLQLUOE-HXUWFJFHSA-N 2 0 324.468 3.784 20 0 DHADRP CCC[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000538281397 1033023005 /nfs/dbraw/zinc/02/30/05/1033023005.db2.gz AXWSOYMGAWAOOW-QUCCMNQESA-N 2 0 300.490 3.988 20 0 DHADRP CSc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000852006761 1022057237 /nfs/dbraw/zinc/05/72/37/1022057237.db2.gz DAQUSTYSSWIALM-UHFFFAOYSA-N 2 0 304.503 3.716 20 0 DHADRP C[C@]1(C[NH2+]Cc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000379764523 1022064195 /nfs/dbraw/zinc/06/41/95/1022064195.db2.gz GYSNUMLDQFSZHC-OAQYLSRUSA-N 2 0 319.452 3.560 20 0 DHADRP COc1c(C)cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000920175404 1022074721 /nfs/dbraw/zinc/07/47/21/1022074721.db2.gz DYNPFHZKHTVFEI-QGZVFWFLSA-N 2 0 304.478 3.666 20 0 DHADRP CCCCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000766451929 1022119482 /nfs/dbraw/zinc/11/94/82/1022119482.db2.gz PJCUILOEBRDPQM-SJORKVTESA-N 2 0 310.526 3.823 20 0 DHADRP COc1cccc([C@@]2(C)CC[N@H+](CCCCCCC[NH3+])C2)c1 ZINC000852758471 1022172367 /nfs/dbraw/zinc/17/23/67/1022172367.db2.gz ADDWNYVUNZNAEW-IBGZPJMESA-N 2 0 304.478 3.568 20 0 DHADRP CCc1cc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])cc[nH+]1 ZINC001168999188 1022210728 /nfs/dbraw/zinc/21/07/28/1022210728.db2.gz HARDTVTVVIVEOC-UHFFFAOYSA-N 2 0 314.820 3.528 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001169062782 1022237504 /nfs/dbraw/zinc/23/75/04/1022237504.db2.gz VNBLZDRCSSUPAT-IBGZPJMESA-N 2 0 300.490 3.719 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101311 1022247578 /nfs/dbraw/zinc/24/75/78/1022247578.db2.gz RBOXVOIROXSBKY-OKYOBFRVSA-N 2 0 302.437 3.882 20 0 DHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169085915 1022253046 /nfs/dbraw/zinc/25/30/46/1022253046.db2.gz PTRACXHFMDAWHY-QHAWAJNXSA-N 2 0 314.517 3.917 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001169108811 1022268595 /nfs/dbraw/zinc/26/85/95/1022268595.db2.gz CJROPVGGTWSCOQ-OSYLJGHBSA-N 2 0 310.441 3.563 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCCCCCCC[NH3+])C2 ZINC001169114936 1022269696 /nfs/dbraw/zinc/26/96/96/1022269696.db2.gz ZYGFRDXGVRJTSX-REPLKXPHSA-N 3 0 309.542 3.671 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3F)CCC1)C2 ZINC001169115736 1022270571 /nfs/dbraw/zinc/27/05/71/1022270571.db2.gz NQUVIWVOCRFFPQ-BCDXTJNWSA-N 2 0 316.464 3.753 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(CCc3ccccc3)CC1)C2 ZINC001169140962 1022271358 /nfs/dbraw/zinc/27/13/58/1022271358.db2.gz NHWGOUJJFSXGMG-AERCQKQUSA-N 2 0 312.501 3.956 20 0 DHADRP C(CC1CC[NH+](CC[C@@H]2CCCCO2)CC1)C[NH+]1CCCC1 ZINC000347481659 1022281217 /nfs/dbraw/zinc/28/12/17/1022281217.db2.gz JOYLVCPJKBSAKT-IBGZPJMESA-N 2 0 308.510 3.534 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3ccc(F)cc3F)CC1)C2 ZINC001169161970 1022288985 /nfs/dbraw/zinc/28/89/85/1022288985.db2.gz QXOHCHTYEROKMS-FVQHAEBGSA-N 2 0 320.427 3.769 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000266866069 1022296614 /nfs/dbraw/zinc/29/66/14/1022296614.db2.gz MCLVHJZWLBSXNQ-HOTGVXAUSA-N 2 0 322.493 3.865 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172202305 1033039466 /nfs/dbraw/zinc/03/94/66/1033039466.db2.gz MYESDNQWKNOFTA-SFHVURJKSA-N 2 0 318.530 3.756 20 0 DHADRP CC[NH+]1CCC([NH2+]CCc2cc(Cl)ccc2Cl)CC1 ZINC001169220911 1022309540 /nfs/dbraw/zinc/30/95/40/1022309540.db2.gz ZXQZJWCSCBKWEH-UHFFFAOYSA-N 2 0 301.261 3.610 20 0 DHADRP CC[NH+]1CCC(N[C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CC1 ZINC001169221763 1022310141 /nfs/dbraw/zinc/31/01/41/1022310141.db2.gz KISPDQJWEZWFRB-NHCUHLMSSA-N 2 0 323.484 3.502 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)[C@H](c2ccccc2)C1 ZINC000655788793 1022318598 /nfs/dbraw/zinc/31/85/98/1022318598.db2.gz OSNXFHCTRVZDGR-UXHICEINSA-N 2 0 319.452 3.603 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000268761585 1022375597 /nfs/dbraw/zinc/37/55/97/1022375597.db2.gz HOUXNGOGSYAVQJ-CGTJXYLNSA-N 2 0 302.462 3.753 20 0 DHADRP Cc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000363885967 1022383028 /nfs/dbraw/zinc/38/30/28/1022383028.db2.gz HEAZBAQHESKNEI-UHFFFAOYSA-N 2 0 315.486 3.800 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000268899304 1022387627 /nfs/dbraw/zinc/38/76/27/1022387627.db2.gz OHPFPJLEMUGJGZ-LNLFQRSKSA-N 2 0 318.505 3.833 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000854229951 1022435347 /nfs/dbraw/zinc/43/53/47/1022435347.db2.gz BHMGXOBRPVIMDZ-TVQRCGJNSA-N 2 0 304.265 3.600 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000671099125 1022455827 /nfs/dbraw/zinc/45/58/27/1022455827.db2.gz ZKVHVGKUVQOXIW-DLBZAZTESA-N 2 0 318.505 3.822 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000671099117 1022455981 /nfs/dbraw/zinc/45/59/81/1022455981.db2.gz VOPTZCIITZBUEA-SJORKVTESA-N 2 0 318.505 3.964 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000272264899 1022497411 /nfs/dbraw/zinc/49/74/11/1022497411.db2.gz XPKJODRPGWZRBU-ABSDTBQOSA-N 2 0 309.457 3.643 20 0 DHADRP C[C@H]([NH2+]CCc1ccsc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374722 1022501577 /nfs/dbraw/zinc/50/15/77/1022501577.db2.gz BBRVIIQUXXLNFY-LPHOPBHVSA-N 2 0 314.498 3.791 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cn2cc[nH+]c2cc1C ZINC001169699601 1022510583 /nfs/dbraw/zinc/51/05/83/1022510583.db2.gz ZVCIIVRGYJZBOV-MRXNPFEDSA-N 2 0 306.413 3.883 20 0 DHADRP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001169717560 1022516706 /nfs/dbraw/zinc/51/67/06/1022516706.db2.gz CETFJNONEOEDKN-UHFFFAOYSA-N 2 0 315.383 3.818 20 0 DHADRP C[C@@H]1CCCCN1c1cccc(NC(C)(C)CC[NH+](C)C)[nH+]1 ZINC001169715779 1022517404 /nfs/dbraw/zinc/51/74/04/1022517404.db2.gz HYDRVIYLFNCDLT-OAHLLOKOSA-N 2 0 304.482 3.603 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CC[C@H]3CCc4ccccc43)C2)CC1 ZINC001169780646 1022544678 /nfs/dbraw/zinc/54/46/78/1022544678.db2.gz ORYMPTDCGNWBOB-LJQANCHMSA-N 2 0 312.501 3.914 20 0 DHADRP C[N@H+](CCNC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000157403832 1022546016 /nfs/dbraw/zinc/54/60/16/1022546016.db2.gz FCCNHLOOFPFWMT-UHFFFAOYSA-N 2 0 321.553 3.638 20 0 DHADRP CCCCc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC001172242420 1033066932 /nfs/dbraw/zinc/06/69/32/1033066932.db2.gz BLEBNPQLASWHIN-UHFFFAOYSA-N 2 0 318.505 3.620 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)C(C)C)CC1 ZINC001172246706 1033067222 /nfs/dbraw/zinc/06/72/22/1033067222.db2.gz QJUMLXVXKCPVRR-IBGZPJMESA-N 2 0 322.468 3.613 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000276683439 1022639177 /nfs/dbraw/zinc/63/91/77/1022639177.db2.gz QXIBAZLNUDYPTO-VBNZEHGJSA-N 2 0 312.379 3.983 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417303908 1022669015 /nfs/dbraw/zinc/66/90/15/1022669015.db2.gz DTHIZHDZJRTGOJ-CWRNSKLLSA-N 2 0 303.475 3.815 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCc3cccc(Cl)c3)C2)C1 ZINC000621297183 1022700705 /nfs/dbraw/zinc/70/07/05/1022700705.db2.gz DWUZXOYVCLYDCE-SFHVURJKSA-N 2 0 306.881 3.690 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172318173 1033084144 /nfs/dbraw/zinc/08/41/44/1033084144.db2.gz ZRCGHSDGUGFYEW-QZTJIDSGSA-N 2 0 318.505 3.966 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000631158604 1022873573 /nfs/dbraw/zinc/87/35/73/1022873573.db2.gz YCVPSISSLRVDHK-MRXNPFEDSA-N 2 0 314.395 3.613 20 0 DHADRP CSc1cccc(Cl)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222147867 1022899102 /nfs/dbraw/zinc/89/91/02/1022899102.db2.gz CPRQCRGUMDTGBC-INIZCTEOSA-N 2 0 310.894 3.637 20 0 DHADRP CC1(C)CC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)N1O ZINC001169984693 1022903267 /nfs/dbraw/zinc/90/32/67/1022903267.db2.gz PZSMRACWDAEMSU-KOMQPUFPSA-N 2 0 323.525 3.522 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414911119 1022910797 /nfs/dbraw/zinc/91/07/97/1022910797.db2.gz DLKZFBSOZWPARW-ROUUACIJSA-N 2 0 310.441 3.722 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000768300748 1022942416 /nfs/dbraw/zinc/94/24/16/1022942416.db2.gz CRZPEYPUPRWYHG-UHFFFAOYSA-N 2 0 318.433 3.509 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000768302676 1022943351 /nfs/dbraw/zinc/94/33/51/1022943351.db2.gz JTVRTQWHQZBDSM-UHFFFAOYSA-N 2 0 316.489 3.661 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859166272 1033089493 /nfs/dbraw/zinc/08/94/93/1033089493.db2.gz WXHMPNMMZZSFAE-MRXNPFEDSA-N 2 0 319.468 3.697 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001172326164 1033089641 /nfs/dbraw/zinc/08/96/41/1033089641.db2.gz CDNPJXVQAKSURX-SJORKVTESA-N 2 0 310.526 3.824 20 0 DHADRP CC[C@H]1CCCC[N@@H+]1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000164857238 1022965396 /nfs/dbraw/zinc/96/53/96/1022965396.db2.gz CPALXDCQCVCCEL-IBGZPJMESA-N 2 0 321.553 3.638 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000165315796 1022978197 /nfs/dbraw/zinc/97/81/97/1022978197.db2.gz QRKBBQMJJLUEDA-BRWVUGGUSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000295971188 1023002900 /nfs/dbraw/zinc/00/29/00/1023002900.db2.gz NWVLTGDUXIVYCD-GVZPALNKSA-N 2 0 312.379 3.981 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000249976253 1023067282 /nfs/dbraw/zinc/06/72/82/1023067282.db2.gz YEBUHHQDCSPDPX-PBASOCQRSA-N 2 0 312.501 3.913 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000769875815 1023238396 /nfs/dbraw/zinc/23/83/96/1023238396.db2.gz XGIXVLZGJIEKEE-AWEZNQCLSA-N 2 0 315.461 3.848 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000769876530 1023239992 /nfs/dbraw/zinc/23/99/92/1023239992.db2.gz SVEVHYZAJHCCJR-JYJNAYRXSA-N 2 0 321.509 3.954 20 0 DHADRP CCC[N@H+](CCCn1ccnc1)Cc1ccccc1OCC ZINC000109804121 1023250077 /nfs/dbraw/zinc/25/00/77/1023250077.db2.gz VGRPLAYITMQTDM-UHFFFAOYSA-N 2 0 301.434 3.584 20 0 DHADRP Cc1ccccc1SC[C@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000859314460 1033121675 /nfs/dbraw/zinc/12/16/75/1033121675.db2.gz MHYJFNHQTOUONU-VQIMIIECSA-N 2 0 318.530 3.751 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925720466 1023425105 /nfs/dbraw/zinc/42/51/05/1023425105.db2.gz SWNITZPEJIEHSV-XSLAGTTESA-N 2 0 310.526 3.856 20 0 DHADRP CCC1(CC)CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000651733288 1023506611 /nfs/dbraw/zinc/50/66/11/1023506611.db2.gz CAXJDIVFEMUYAA-RTBURBONSA-N 2 0 322.537 3.703 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001172361460 1033142573 /nfs/dbraw/zinc/14/25/73/1033142573.db2.gz WZROAQDFQVBQMH-RYRKJORJSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001172361458 1033142599 /nfs/dbraw/zinc/14/25/99/1033142599.db2.gz WZROAQDFQVBQMH-JFIYKMOQSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C[C@@H]1C ZINC001172367282 1033147165 /nfs/dbraw/zinc/14/71/65/1033147165.db2.gz LKOSGEPMQAGYBW-SOLBZPMBSA-N 2 0 304.478 3.541 20 0 DHADRP CSCC1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000595105803 1023627002 /nfs/dbraw/zinc/62/70/02/1023627002.db2.gz YUDKEXWJXSREFE-UHFFFAOYSA-N 2 0 310.551 3.620 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCO[C@H](CC)c2ccccc2)CC1 ZINC000651908997 1023630220 /nfs/dbraw/zinc/63/02/20/1023630220.db2.gz UJCJGHQVCZEEDN-LJQANCHMSA-N 2 0 304.478 3.618 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)C[C@@H]1C ZINC001172371893 1033150880 /nfs/dbraw/zinc/15/08/80/1033150880.db2.gz VQSOMLUNUHSVRX-UWVAXJGDSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C[C@H]1C ZINC001172371625 1033151749 /nfs/dbraw/zinc/15/17/49/1033151749.db2.gz VNVAUNLCICZAAG-GPMSIDNRSA-N 2 0 318.480 3.986 20 0 DHADRP C[C@H](CC[N@@H+]1CCC[C@@H](CCF)C1)[NH+]1CCC[C@@H](CCF)C1 ZINC000661690255 1023687954 /nfs/dbraw/zinc/68/79/54/1023687954.db2.gz KTKWRGRNJNWMNB-SQNIBIBYSA-N 2 0 316.480 3.908 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000164623421 1023815190 /nfs/dbraw/zinc/81/51/90/1023815190.db2.gz RPAHEGBFYHCDPD-MRXNPFEDSA-N 2 0 301.434 3.868 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)n1 ZINC001206035159 1023846669 /nfs/dbraw/zinc/84/66/69/1023846669.db2.gz BWPLNCLZHMBJHH-KBPBESRZSA-N 2 0 309.885 3.665 20 0 DHADRP CCOCC[C@H](C)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172434056 1033167038 /nfs/dbraw/zinc/16/70/38/1033167038.db2.gz UBMDWIYGHQFPMN-SFHVURJKSA-N 2 0 318.505 3.646 20 0 DHADRP Cc1cc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000538750138 1033167111 /nfs/dbraw/zinc/16/71/11/1033167111.db2.gz DVUCHDHYDUGPDL-IBGZPJMESA-N 2 0 300.490 3.776 20 0 DHADRP C=Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cn1 ZINC000194191275 1023992370 /nfs/dbraw/zinc/99/23/70/1023992370.db2.gz YAGIOEMWEPJDEG-UHFFFAOYSA-N 2 0 324.472 3.505 20 0 DHADRP ClC1(Cl)C[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000876900094 1033178879 /nfs/dbraw/zinc/17/88/79/1033178879.db2.gz CVSXGTJZGBUTPU-HNNXBMFYSA-N 2 0 313.272 3.566 20 0 DHADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000876896699 1033179589 /nfs/dbraw/zinc/17/95/89/1033179589.db2.gz LBABJRKZKRGXSM-ZOCZFRKYSA-N 2 0 318.442 3.564 20 0 DHADRP COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248956 1024029913 /nfs/dbraw/zinc/02/99/13/1024029913.db2.gz MKWFOTKJBGSSRU-NRFANRHFSA-N 2 0 322.452 3.678 20 0 DHADRP COc1ccc([C@H](C)[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662249290 1024030965 /nfs/dbraw/zinc/03/09/65/1024030965.db2.gz SLCUAZOEGGMPEW-HNNXBMFYSA-N 2 0 310.441 3.534 20 0 DHADRP CCC[N@H+](CCSc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000662262984 1024037441 /nfs/dbraw/zinc/03/74/41/1024037441.db2.gz JPBNXFPDBIGHJJ-UHFFFAOYSA-N 2 0 314.445 3.521 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662281047 1024059596 /nfs/dbraw/zinc/05/95/96/1024059596.db2.gz HYEULJZMPGHBGW-OAHLLOKOSA-N 2 0 310.441 3.582 20 0 DHADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662285038 1024065606 /nfs/dbraw/zinc/06/56/06/1024065606.db2.gz VCOBPJRWCVLNSK-TVFCKZIOSA-N 2 0 308.510 3.564 20 0 DHADRP C[C@@H](c1c(F)cccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290971 1024070740 /nfs/dbraw/zinc/07/07/40/1024070740.db2.gz ARKJVAFMZIBCNO-DZGCQCFKSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294570 1024076154 /nfs/dbraw/zinc/07/61/54/1024076154.db2.gz CMBUFTSXSKFCHD-CJNGLKHVSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@H](c1ncc(C(C)(C)C)o1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295356 1024078511 /nfs/dbraw/zinc/07/85/11/1024078511.db2.gz ZHNUGQCNUDBMMN-GDBMZVCRSA-N 2 0 319.493 3.745 20 0 DHADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cc1F ZINC000662306822 1024093356 /nfs/dbraw/zinc/09/33/56/1024093356.db2.gz TYGCUWQSGMIRHB-SFHVURJKSA-N 2 0 320.452 3.751 20 0 DHADRP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1Cl ZINC000662312635 1024094845 /nfs/dbraw/zinc/09/48/45/1024094845.db2.gz ITHZLUMENUISLA-UKRRQHHQSA-N 2 0 310.869 3.688 20 0 DHADRP Cc1cccc(NC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000268586030 1024130803 /nfs/dbraw/zinc/13/08/03/1024130803.db2.gz UUIXFEDYBHJXEL-HXUWFJFHSA-N 2 0 315.505 3.746 20 0 DHADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876947752 1033189610 /nfs/dbraw/zinc/18/96/10/1033189610.db2.gz GDVHMLILGJGXET-QKKBWIMNSA-N 2 0 318.442 3.562 20 0 DHADRP Fc1ccc(Cl)cc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345949 1024176101 /nfs/dbraw/zinc/17/61/01/1024176101.db2.gz PJNPWKNBGBQJPU-CQSZACIVSA-N 2 0 310.844 3.691 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc2cccnc12 ZINC000663346923 1024178900 /nfs/dbraw/zinc/17/89/00/1024178900.db2.gz XRLBPSZZMOQHNG-SFHVURJKSA-N 2 0 323.484 3.755 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000162547990 1024183536 /nfs/dbraw/zinc/18/35/36/1024183536.db2.gz VIDMCAGMNPCORK-FQEVSTJZSA-N 2 0 312.457 3.868 20 0 DHADRP C[C@@]1(F)CC[NH+](Cc2ccc(C[N@H+]3CC[C@@](C)(F)C3)cc2)C1 ZINC000347360628 1024192118 /nfs/dbraw/zinc/19/21/18/1024192118.db2.gz VLTPDWLWVXKTQI-QZTJIDSGSA-N 2 0 308.416 3.554 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790052532 1024213354 /nfs/dbraw/zinc/21/33/54/1024213354.db2.gz GMZJJXFAUAVFGY-MJGOQNOKSA-N 2 0 300.490 3.674 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790047902 1024214062 /nfs/dbraw/zinc/21/40/62/1024214062.db2.gz DREYYAUUUXUQIQ-MJGOQNOKSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000269005056 1024219606 /nfs/dbraw/zinc/21/96/06/1024219606.db2.gz MLJQALQDGQRLKL-ZDUSSCGKSA-N 2 0 318.383 3.620 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883169596 1024266062 /nfs/dbraw/zinc/26/60/62/1024266062.db2.gz ZIDKZQOBXAILQE-IBGZPJMESA-N 2 0 322.468 3.613 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714617 1024278759 /nfs/dbraw/zinc/27/87/59/1024278759.db2.gz BQEDPQUAOIQMLM-IAGOWNOFSA-N 2 0 309.457 3.741 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453088614 1024322169 /nfs/dbraw/zinc/32/21/69/1024322169.db2.gz RJSWJCKVSNIPDM-HLLBOEOZSA-N 2 0 310.507 3.678 20 0 DHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC000663415198 1024322859 /nfs/dbraw/zinc/32/28/59/1024322859.db2.gz AXPSZUSKHXYYMC-GDBMZVCRSA-N 2 0 306.413 3.810 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453127651 1024356572 /nfs/dbraw/zinc/35/65/72/1024356572.db2.gz LMMHDDVKAFSEFL-FMKPAKJESA-N 2 0 310.507 3.633 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000453173079 1024383594 /nfs/dbraw/zinc/38/35/94/1024383594.db2.gz YNBAGMCLFNIPSW-KSZLIROESA-N 2 0 322.518 3.557 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877019642 1033207083 /nfs/dbraw/zinc/20/70/83/1033207083.db2.gz ORHKXSBXMLLVLW-UHFFFAOYSA-N 2 0 323.893 3.771 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@@H]1CCCOC1 ZINC000883351645 1024396517 /nfs/dbraw/zinc/39/65/17/1024396517.db2.gz JVBNESNCIZRZNI-IZBJGVDFSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000663466229 1024401658 /nfs/dbraw/zinc/40/16/58/1024401658.db2.gz PSASQULZODCZOI-GOEBONIOSA-N 2 0 314.464 3.912 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000663467998 1024406267 /nfs/dbraw/zinc/40/62/67/1024406267.db2.gz JNVHNSOYENFWCY-PXNSSMCTSA-N 2 0 316.489 3.858 20 0 DHADRP Cc1ccccc1C1CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663466653 1024407931 /nfs/dbraw/zinc/40/79/31/1024407931.db2.gz XAIXSUPNIXYASI-XEVCZEQESA-N 2 0 312.501 3.953 20 0 DHADRP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466964 1024408150 /nfs/dbraw/zinc/40/81/50/1024408150.db2.gz CESVIKNITISCLE-XLIONFOSSA-N 2 0 300.490 3.719 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663466875 1024410075 /nfs/dbraw/zinc/41/00/75/1024410075.db2.gz AVQBYZRRVBNCSY-BEFAXECRSA-N 2 0 302.437 3.525 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC4(COC4)CC3)CC2)C1 ZINC000883379284 1024411745 /nfs/dbraw/zinc/41/17/45/1024411745.db2.gz VOHUANTVTAMQMO-APWZRJJASA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883378987 1024411834 /nfs/dbraw/zinc/41/18/34/1024411834.db2.gz HYSCNTJDSBJXMR-QFBILLFUSA-N 2 0 320.521 3.578 20 0 DHADRP c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468879 1024412664 /nfs/dbraw/zinc/41/26/64/1024412664.db2.gz NEWBFSJVWIDHFY-SJLPKXTDSA-N 2 0 316.514 3.935 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469520 1024420645 /nfs/dbraw/zinc/42/06/45/1024420645.db2.gz PZYLNUJIHVUSAK-KXBFYZLASA-N 2 0 302.437 3.525 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)c(C)c1 ZINC000453240509 1024420832 /nfs/dbraw/zinc/42/08/32/1024420832.db2.gz CLPKALLOLJLIAH-ZHALLVOQSA-N 2 0 300.490 3.653 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663470527 1024424552 /nfs/dbraw/zinc/42/45/52/1024424552.db2.gz UUIZHLWOKHNYQK-VQIMIIECSA-N 2 0 304.453 3.988 20 0 DHADRP CCC[N@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883423978 1024434388 /nfs/dbraw/zinc/43/43/88/1024434388.db2.gz AQYKSHJIFPDKJE-PMACEKPBSA-N 2 0 316.489 3.761 20 0 DHADRP C[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)[C@@H]1CCC[NH3+] ZINC000883435768 1024436346 /nfs/dbraw/zinc/43/63/46/1024436346.db2.gz BRHLMVRUPJSLBL-VBSBHUPXSA-N 2 0 316.489 3.746 20 0 DHADRP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000663476610 1024438656 /nfs/dbraw/zinc/43/86/56/1024438656.db2.gz HDCOGNFDEDACEY-QAPCUYQASA-N 2 0 306.469 3.956 20 0 DHADRP Cc1csc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000453326746 1024465874 /nfs/dbraw/zinc/46/58/74/1024465874.db2.gz VKOCMWCJGFBSBE-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458555 1024475321 /nfs/dbraw/zinc/47/53/21/1024475321.db2.gz DFYZNPJBWXFOFT-LADJIXMOSA-N 2 0 320.321 3.611 20 0 DHADRP c1cc2cccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2[nH]1 ZINC000271247984 1024478559 /nfs/dbraw/zinc/47/85/59/1024478559.db2.gz CYNVMFBFOUDHPJ-LPHOPBHVSA-N 2 0 309.457 3.617 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000663500396 1024488273 /nfs/dbraw/zinc/48/82/73/1024488273.db2.gz REZIOTMQPGCVAM-SWLSCSKDSA-N 2 0 313.283 3.516 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000663502708 1024491604 /nfs/dbraw/zinc/49/16/04/1024491604.db2.gz KNNFTZNITAOAOF-GXOAENINSA-N 2 0 304.478 3.684 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001167825559 1024492547 /nfs/dbraw/zinc/49/25/47/1024492547.db2.gz KAAOGNLKFQVCOJ-VQTJNVASSA-N 2 0 323.569 3.837 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001172462367 1033215096 /nfs/dbraw/zinc/21/50/96/1033215096.db2.gz FMTHZJOZVIVLMF-KRWDZBQOSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC001167826569 1024501115 /nfs/dbraw/zinc/50/11/15/1024501115.db2.gz QIKCDENWBXCXOK-KRWDZBQOSA-N 2 0 303.494 3.772 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001167827210 1024508237 /nfs/dbraw/zinc/50/82/37/1024508237.db2.gz USCVHESIFGTZLM-VQIMIIECSA-N 2 0 322.468 3.789 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC001167827222 1024508274 /nfs/dbraw/zinc/50/82/74/1024508274.db2.gz UVTUBDZIXWNDAM-MJGOQNOKSA-N 2 0 304.478 3.570 20 0 DHADRP C(COCC1CCCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000453397399 1024515021 /nfs/dbraw/zinc/51/50/21/1024515021.db2.gz LPDGPIXGNFAQJK-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP C[NH+](C)CCCOc1ccc(CNc2[nH+]ccc3[nH]ccc32)cc1 ZINC000663539462 1024530049 /nfs/dbraw/zinc/53/00/49/1024530049.db2.gz OTZKHUOOCJUKRU-UHFFFAOYSA-N 2 0 324.428 3.506 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534693 1024540879 /nfs/dbraw/zinc/54/08/79/1024540879.db2.gz AGMFVINXOXGFRG-KBPBESRZSA-N 2 0 308.878 3.609 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cnc(-c2cccs2)s1)C1CC1 ZINC000453591647 1024545639 /nfs/dbraw/zinc/54/56/39/1024545639.db2.gz DDEWDOMSZIPBOF-UHFFFAOYSA-N 2 0 321.515 3.836 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000453607951 1024550338 /nfs/dbraw/zinc/55/03/38/1024550338.db2.gz XYFPXOHGQMIFFB-UHFFFAOYSA-N 2 0 315.486 3.774 20 0 DHADRP C[C@@H](CC[NH+]1CCC(C(F)F)CC1)[NH+]1CCC(C(F)F)CC1 ZINC000432017356 1024569246 /nfs/dbraw/zinc/56/92/46/1024569246.db2.gz BYEZRTYMEHQXTJ-LBPRGKRZSA-N 2 0 324.406 3.719 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000532196172 1024571919 /nfs/dbraw/zinc/57/19/19/1024571919.db2.gz HJKUBIYNOZFTKZ-KXBFYZLASA-N 2 0 304.478 3.763 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000532214132 1024577117 /nfs/dbraw/zinc/57/71/17/1024577117.db2.gz VIVHQKMMIUKEKC-LIRRHRJNSA-N 2 0 304.453 3.771 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000648438902 1024645698 /nfs/dbraw/zinc/64/56/98/1024645698.db2.gz OKPUUOMZZZJVON-DLBZAZTESA-N 2 0 322.518 3.507 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2ccc(C(C)=O)cc2C1 ZINC001167840644 1024649001 /nfs/dbraw/zinc/64/90/01/1024649001.db2.gz GVDUIIADRUUKOD-MRXNPFEDSA-N 2 0 316.489 3.758 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CC/C=C/c1cccnc1 ZINC001167841416 1024658456 /nfs/dbraw/zinc/65/84/56/1024658456.db2.gz MRQAEBRUKRBOKZ-VWGXWWAPSA-N 2 0 303.494 3.927 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666084869 1024677244 /nfs/dbraw/zinc/67/72/44/1024677244.db2.gz OLTOTSNHBZEPMM-GDBMZVCRSA-N 2 0 306.881 3.519 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000349181836 1024685282 /nfs/dbraw/zinc/68/52/82/1024685282.db2.gz FNSSIALZZGWTPE-UHFFFAOYSA-N 2 0 320.506 3.938 20 0 DHADRP CC[C@H]1C[C@H]([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001170247731 1024723160 /nfs/dbraw/zinc/72/31/60/1024723160.db2.gz YACBFVAUWAOGLD-MOPGFXCFSA-N 2 0 308.510 3.673 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(Cl)s1 ZINC000349601905 1024730706 /nfs/dbraw/zinc/73/07/06/1024730706.db2.gz TZDULCSZWWCGSG-GFCCVEGCSA-N 2 0 301.887 3.541 20 0 DHADRP C[C@H]([NH2+]CC1(Cc2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000666154639 1024736464 /nfs/dbraw/zinc/73/64/64/1024736464.db2.gz AQVMLEGHLYGPEF-HNNXBMFYSA-N 2 0 320.908 3.983 20 0 DHADRP Cc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(C)[nH+]1 ZINC001170333830 1024745598 /nfs/dbraw/zinc/74/55/98/1024745598.db2.gz VGZNILZCZDKXRV-MZADTFQBSA-N 2 0 321.468 3.728 20 0 DHADRP CCc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001170336805 1024749161 /nfs/dbraw/zinc/74/91/61/1024749161.db2.gz FPPDLWPZVAHHET-MZADTFQBSA-N 2 0 321.468 3.673 20 0 DHADRP Cc1[nH+]ccc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1Cl ZINC000350344211 1024803493 /nfs/dbraw/zinc/80/34/93/1024803493.db2.gz YLLWGASFAGPIOP-GUTXKFCHSA-N 2 0 307.869 3.885 20 0 DHADRP CCSc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001168175439 1024804477 /nfs/dbraw/zinc/80/44/77/1024804477.db2.gz NSOSDIHZALXFDU-UHFFFAOYSA-N 2 0 313.470 3.516 20 0 DHADRP c1ccc([C@@H]2C[C@@H]([NH2+]CCc3ccncc3)CCN2C2CC2)cc1 ZINC000877089027 1033236035 /nfs/dbraw/zinc/23/60/35/1033236035.db2.gz FGFANJBRHWSWBC-FPOVZHCZSA-N 2 0 321.468 3.582 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350511438 1024822118 /nfs/dbraw/zinc/82/21/18/1024822118.db2.gz KNASLUVWJGJERO-RTWAWAEBSA-N 2 0 323.484 3.562 20 0 DHADRP CCCCCC[C@H](CCCC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001172517113 1033241058 /nfs/dbraw/zinc/24/10/58/1033241058.db2.gz OCHUIJXNIJVULK-IBGZPJMESA-N 2 0 312.542 3.810 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000793241774 1024957182 /nfs/dbraw/zinc/95/71/82/1024957182.db2.gz XPUMUWAIZVFYTM-OALUTQOASA-N 2 0 318.505 3.741 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(Cl)ccc1OC ZINC000163232010 1024979290 /nfs/dbraw/zinc/97/92/90/1024979290.db2.gz PREHBWLQPFDEIN-CZUORRHYSA-N 2 0 310.869 3.731 20 0 DHADRP c1ccc2c(c1)CC[C@@H](C[NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC000666341806 1024983861 /nfs/dbraw/zinc/98/38/61/1024983861.db2.gz QZJXEORIZBJUGT-QGZVFWFLSA-N 2 0 312.501 3.788 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000648482662 1025002371 /nfs/dbraw/zinc/00/23/71/1025002371.db2.gz FHLCAQWPKLWQCQ-YJBOKZPZSA-N 2 0 322.443 3.859 20 0 DHADRP CO[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000663759297 1025042112 /nfs/dbraw/zinc/04/21/12/1025042112.db2.gz XYHHUJRBQFAIKI-HXUWFJFHSA-N 2 0 316.489 3.673 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000063158836 1025051598 /nfs/dbraw/zinc/05/15/98/1025051598.db2.gz RWINXFLPHOCJIQ-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000353386838 1025051929 /nfs/dbraw/zinc/05/19/29/1025051929.db2.gz NFPHDOUYLDKXET-UHFFFAOYSA-N 2 0 300.368 3.668 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353512006 1025098514 /nfs/dbraw/zinc/09/85/14/1025098514.db2.gz CGKGIOMFVWAGEH-OAGGEKHMSA-N 2 0 308.466 3.510 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353546848 1025118016 /nfs/dbraw/zinc/11/80/16/1025118016.db2.gz WWUQLHSTLVHVRC-RCCFBDPRSA-N 2 0 322.493 3.651 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000391357116 1025119712 /nfs/dbraw/zinc/11/97/12/1025119712.db2.gz AXVKMUDLIMMFSC-MOPGFXCFSA-N 2 0 316.489 3.828 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C3CC3)ccn2)[C@@H](C)C1 ZINC000353552259 1025126111 /nfs/dbraw/zinc/12/61/11/1025126111.db2.gz YFNHZHCKQVQOBA-MAUKXSAKSA-N 2 0 317.477 3.508 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000126378712 1033262562 /nfs/dbraw/zinc/26/25/62/1033262562.db2.gz SBHQLFKEBYWUHA-LBPRGKRZSA-N 2 0 314.445 3.994 20 0 DHADRP CC[NH+](CC)C1CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173049949 1033514093 /nfs/dbraw/zinc/51/40/93/1033514093.db2.gz LAURQGYEVZWUOA-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(C)c1 ZINC000353631340 1025165769 /nfs/dbraw/zinc/16/57/69/1025165769.db2.gz PMSOQGSURKDPSK-QGZVFWFLSA-N 2 0 306.519 3.863 20 0 DHADRP CCSCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000353642831 1025171815 /nfs/dbraw/zinc/17/18/15/1025171815.db2.gz IXKKSEJWMPWAAP-UHFFFAOYSA-N 2 0 318.530 3.728 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000400938496 1025176895 /nfs/dbraw/zinc/17/68/95/1025176895.db2.gz LBQAJBYVLXJCMY-KCQAQPDRSA-N 2 0 313.272 3.514 20 0 DHADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1ccon1 ZINC000353673114 1025190671 /nfs/dbraw/zinc/19/06/71/1025190671.db2.gz REPJKUNZRAUAGR-FAEJEUNOSA-N 2 0 313.445 3.768 20 0 DHADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1ccon1 ZINC000353673115 1025191631 /nfs/dbraw/zinc/19/16/31/1025191631.db2.gz REPJKUNZRAUAGR-ZLPCBKJTSA-N 2 0 313.445 3.768 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000279741885 1025205126 /nfs/dbraw/zinc/20/51/26/1025205126.db2.gz PADUPXHRCXQKPJ-OXJNMPFZSA-N 2 0 312.457 3.614 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000539069359 1033266544 /nfs/dbraw/zinc/26/65/44/1033266544.db2.gz YXYLUZLIOXHGFV-GOEBONIOSA-N 2 0 310.869 3.571 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424827 1025216917 /nfs/dbraw/zinc/21/69/17/1025216917.db2.gz GLWCNEMBRDDDTC-COXVUDFISA-N 2 0 324.896 3.878 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000044517399 1025255734 /nfs/dbraw/zinc/25/57/34/1025255734.db2.gz KFJVHQQDTSTHLK-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000044517722 1025257725 /nfs/dbraw/zinc/25/77/25/1025257725.db2.gz VJRDKOBIENCSFF-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP Cc1ccc(CCC[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000353926959 1025294019 /nfs/dbraw/zinc/29/40/19/1025294019.db2.gz IARARUJRLPEQNP-GOSISDBHSA-N 2 0 303.494 3.567 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000124143489 1025322746 /nfs/dbraw/zinc/32/27/46/1025322746.db2.gz MHRMYQZDIIUXGL-QWHCGFSZSA-N 2 0 316.367 3.578 20 0 DHADRP CCC[NH+]1CCC(Nc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000236782325 1025323351 /nfs/dbraw/zinc/32/33/51/1025323351.db2.gz YNMCGSMDGFWLLR-UHFFFAOYSA-N 2 0 303.494 3.815 20 0 DHADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CCS2 ZINC000925857668 1025331937 /nfs/dbraw/zinc/33/19/37/1025331937.db2.gz HUYDCGVHKXBTKW-IXDOHACOSA-N 2 0 308.535 3.563 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCCCO2)CC1)CC(C)C ZINC000539096583 1033274858 /nfs/dbraw/zinc/27/48/58/1033274858.db2.gz JTWKGWKXELOTQO-LJQANCHMSA-N 2 0 310.526 3.636 20 0 DHADRP CC(C)Cc1ncc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354106027 1025353627 /nfs/dbraw/zinc/35/36/27/1025353627.db2.gz GQZRMHYMSCZYTN-MRXNPFEDSA-N 2 0 321.534 3.505 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(Cl)c1 ZINC000859995749 1033281150 /nfs/dbraw/zinc/28/11/50/1033281150.db2.gz WTMLXTOIVCFGDI-UHFFFAOYSA-N 2 0 317.864 3.819 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000123677512 1025394451 /nfs/dbraw/zinc/39/44/51/1025394451.db2.gz DYMQWEUBZUNQGW-LJQANCHMSA-N 2 0 310.441 3.752 20 0 DHADRP C[C@@H](C[NH2+]C(C)(C)CN(C)Cc1ccccc1)C(F)(F)F ZINC000539117916 1033281325 /nfs/dbraw/zinc/28/13/25/1033281325.db2.gz VVNZCTCDQMSRRM-ZDUSSCGKSA-N 2 0 302.384 3.685 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000885953928 1025417990 /nfs/dbraw/zinc/41/79/90/1025417990.db2.gz JRHBGKSXDCWWOB-MJGOQNOKSA-N 2 0 308.510 3.578 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000124214485 1025419931 /nfs/dbraw/zinc/41/99/31/1025419931.db2.gz BRUOYYRSOIDVSS-DLBZAZTESA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000925879747 1025423556 /nfs/dbraw/zinc/42/35/56/1025423556.db2.gz JRYZQORJBWPSAE-GUTXKFCHSA-N 2 0 310.869 3.905 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCOC2(CCCCC2)C1)C[NH+]1CCCC1 ZINC000886089389 1025467294 /nfs/dbraw/zinc/46/72/94/1025467294.db2.gz AKWVBUJXQKVBGU-QGZVFWFLSA-N 2 0 308.510 3.580 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000125856896 1025494077 /nfs/dbraw/zinc/49/40/77/1025494077.db2.gz OGUKPAWWAZXWEF-GJZGRUSLSA-N 2 0 321.534 3.793 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(OC)cc1 ZINC000125827353 1025494432 /nfs/dbraw/zinc/49/44/32/1025494432.db2.gz VTPCHBFBEFTRGS-QFBILLFUSA-N 2 0 304.478 3.856 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(OC)cc1 ZINC000125827189 1025495078 /nfs/dbraw/zinc/49/50/78/1025495078.db2.gz VTPCHBFBEFTRGS-LPHOPBHVSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CCC2 ZINC000125967908 1025497495 /nfs/dbraw/zinc/49/74/95/1025497495.db2.gz PSYIZCQQEGTUAS-CABCVRRESA-N 2 0 309.523 3.785 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000125922117 1025497604 /nfs/dbraw/zinc/49/76/04/1025497604.db2.gz NVCBHOGCSAUNLR-HUUCEWRRSA-N 2 0 307.507 3.539 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000125921943 1025499202 /nfs/dbraw/zinc/49/92/02/1025499202.db2.gz NVCBHOGCSAUNLR-GJZGRUSLSA-N 2 0 307.507 3.539 20 0 DHADRP [NH3+]C1CC[NH+](CCc2cn([C@@H]3C[C@H]4C[C@H]4C3)c3ccccc23)CC1 ZINC001167908426 1025593552 /nfs/dbraw/zinc/59/35/52/1025593552.db2.gz DHMPZPLPZSWZLV-IZZQQSIFSA-N 2 0 323.484 3.578 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000539204056 1033294234 /nfs/dbraw/zinc/29/42/34/1033294234.db2.gz YOWLCGAKMQIOSO-KXBFYZLASA-N 2 0 304.453 3.988 20 0 DHADRP C[N@H+](Cc1ccncc1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000130378675 1025654156 /nfs/dbraw/zinc/65/41/56/1025654156.db2.gz CPVYRYMPRKISAC-UHFFFAOYSA-N 2 0 323.484 3.816 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506548 1025660659 /nfs/dbraw/zinc/66/06/59/1025660659.db2.gz YMGUDQHLKHXBCJ-ACJLOTCBSA-N 2 0 315.436 3.616 20 0 DHADRP Cc1nc(C)c(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886524186 1025672873 /nfs/dbraw/zinc/67/28/73/1025672873.db2.gz FRFFYMDJCVOTTE-UHFFFAOYSA-N 2 0 321.534 3.689 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cccc(O)c1 ZINC000886524050 1025673620 /nfs/dbraw/zinc/67/36/20/1025673620.db2.gz BPWKYNTZZQNUCB-DMKPSLHHSA-N 2 0 302.462 3.840 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000886535307 1025684990 /nfs/dbraw/zinc/68/49/90/1025684990.db2.gz XXPVNMFITMGLFP-XBMUEBEBSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc[nH]1 ZINC000886558973 1025705614 /nfs/dbraw/zinc/70/56/14/1025705614.db2.gz WXQDMEQMTASBDM-KANFNMMFSA-N 2 0 309.457 3.718 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000886558355 1025705924 /nfs/dbraw/zinc/70/59/24/1025705924.db2.gz IBUFBYHERGZXGR-GPJFCIFZSA-N 2 0 313.489 3.919 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000049554191 1025713517 /nfs/dbraw/zinc/71/35/17/1025713517.db2.gz WBLKIUHYGOSWPT-IUODEOHRSA-N 2 0 313.283 3.830 20 0 DHADRP CC(C)C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886580834 1025717905 /nfs/dbraw/zinc/71/79/05/1025717905.db2.gz ZUHAJLZYYPIDDU-WBFXSEPVSA-N 2 0 322.537 3.967 20 0 DHADRP Cc1csc([C@H](C)C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886587695 1025724317 /nfs/dbraw/zinc/72/43/17/1025724317.db2.gz CZRORPGBBJQAPX-MXWWQKGMSA-N 2 0 321.534 3.942 20 0 DHADRP C[C@@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000886618650 1025744510 /nfs/dbraw/zinc/74/45/10/1025744510.db2.gz GYPYNAWQENAVSQ-SLTAFYQDSA-N 2 0 319.320 3.957 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000886632969 1025750611 /nfs/dbraw/zinc/75/06/11/1025750611.db2.gz KUEJRBOBQTXWHA-NUVZVAJJSA-N 2 0 320.521 3.721 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000886646654 1025756885 /nfs/dbraw/zinc/75/68/85/1025756885.db2.gz OYVDZYDMYFDWDF-IQNGYNMSSA-N 2 0 320.521 3.578 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3(O)CCCCCC3)C2)CC1 ZINC001307440483 1025801604 /nfs/dbraw/zinc/80/16/04/1025801604.db2.gz NREDCGAGHFUPMS-LJQANCHMSA-N 2 0 322.537 3.516 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cc(C)ccc1OC ZINC000093403331 1025895304 /nfs/dbraw/zinc/89/53/04/1025895304.db2.gz KXLUTFNJNDHGLY-AEFFLSMTSA-N 2 0 304.478 3.776 20 0 DHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917018 1025920894 /nfs/dbraw/zinc/92/08/94/1025920894.db2.gz JMBCJCVISJVEEP-PIIMJCKOSA-N 2 0 318.892 3.940 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc(C)s1 ZINC000037505480 1025940202 /nfs/dbraw/zinc/94/02/02/1025940202.db2.gz GWCISIHUAWHCKA-UHFFFAOYSA-N 2 0 303.475 3.583 20 0 DHADRP CC(C)c1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647785496 1025980587 /nfs/dbraw/zinc/98/05/87/1025980587.db2.gz AHWXPGLXTNCSQP-XUVXKRRUSA-N 2 0 300.490 3.720 20 0 DHADRP C[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1cccc(O)c1 ZINC000194873722 1025981291 /nfs/dbraw/zinc/98/12/91/1025981291.db2.gz HOIQNUJDROPALV-HNNXBMFYSA-N 2 0 302.462 3.697 20 0 DHADRP c1nc2c(n1Cc1cccc(C[NH+]3CCCCC3)c1)CCCC2 ZINC000411771275 1026099500 /nfs/dbraw/zinc/09/95/00/1026099500.db2.gz FNHMUYZQJFLOBK-UHFFFAOYSA-N 2 0 309.457 3.796 20 0 DHADRP c1cncc(-c2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000093597431 1026118473 /nfs/dbraw/zinc/11/84/73/1026118473.db2.gz OIOQATOQDVWCBJ-IBGZPJMESA-N 2 0 321.468 3.666 20 0 DHADRP CCN1CCC([N@H+](C)CCSc2ccc(C)c(C)c2)CC1 ZINC000532987813 1026164230 /nfs/dbraw/zinc/16/42/30/1026164230.db2.gz LSKOTGUIPUEMLH-UHFFFAOYSA-N 2 0 306.519 3.812 20 0 DHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCC[NH+](C)C ZINC000289775568 1026168848 /nfs/dbraw/zinc/16/88/48/1026168848.db2.gz GTQHJQVFHYTLNB-WYMLVPIESA-N 2 0 312.404 3.623 20 0 DHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000576399672 1026279786 /nfs/dbraw/zinc/27/97/86/1026279786.db2.gz OBYCNXUXAZXBRN-STQMWFEESA-N 2 0 304.821 3.769 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571431460 1026280982 /nfs/dbraw/zinc/28/09/82/1026280982.db2.gz HJQVIVLJRWZRLZ-HZPDHXFCSA-N 2 0 321.534 3.840 20 0 DHADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCCCCCC1 ZINC000808442332 1026285771 /nfs/dbraw/zinc/28/57/71/1026285771.db2.gz ADMMHVUICWALJA-UHFFFAOYSA-N 2 0 319.493 3.615 20 0 DHADRP CCCCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808694486 1026349898 /nfs/dbraw/zinc/34/98/98/1026349898.db2.gz DIJPGPIQFVCRJD-IEBWSBKVSA-N 2 0 323.569 3.740 20 0 DHADRP CCCCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808694476 1026350121 /nfs/dbraw/zinc/35/01/21/1026350121.db2.gz DIJPGPIQFVCRJD-HKUYNNGSSA-N 2 0 323.569 3.740 20 0 DHADRP Clc1ccc(CC2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCC2)cc1 ZINC000647798457 1026428520 /nfs/dbraw/zinc/42/85/20/1026428520.db2.gz QXHYJHPRGQRHRM-XYJFISCASA-N 2 0 318.892 3.783 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000513334603 1026480526 /nfs/dbraw/zinc/48/05/26/1026480526.db2.gz ICJWNAILIKJKGG-UXPWSPDFSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000513334821 1026481183 /nfs/dbraw/zinc/48/11/83/1026481183.db2.gz KVNYSQFTRRVTKX-LJQANCHMSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000894230352 1026533576 /nfs/dbraw/zinc/53/35/76/1026533576.db2.gz DUELGRIFLMGORD-UHFFFAOYSA-N 2 0 315.505 3.588 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000513545988 1026538603 /nfs/dbraw/zinc/53/86/03/1026538603.db2.gz URKYNWBSBBTMEY-YLJYHZDGSA-N 2 0 324.468 3.783 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436284345 1026546845 /nfs/dbraw/zinc/54/68/45/1026546845.db2.gz NHAPQDDAPKLYHV-YTQUADARSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000513656947 1026552740 /nfs/dbraw/zinc/55/27/40/1026552740.db2.gz ZLRAVIXZNLMYGE-HRCADAONSA-N 2 0 312.379 3.668 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000513665369 1026559722 /nfs/dbraw/zinc/55/97/22/1026559722.db2.gz DWKDDXYYCQXCMO-GBESFXJTSA-N 2 0 316.464 3.611 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCSC2)C3)cc1 ZINC000280068173 1026581944 /nfs/dbraw/zinc/58/19/44/1026581944.db2.gz LYPKFKWEFNCGIB-AKHDSKFASA-N 2 0 316.514 3.525 20 0 DHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647880962 1026603076 /nfs/dbraw/zinc/60/30/76/1026603076.db2.gz JEVAEVWYVOMUQB-STQMWFEESA-N 2 0 312.379 3.840 20 0 DHADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000513691154 1026618399 /nfs/dbraw/zinc/61/83/99/1026618399.db2.gz RQYNMDBWTPDMHG-XUVXKRRUSA-N 2 0 316.489 3.651 20 0 DHADRP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280381947 1026641811 /nfs/dbraw/zinc/64/18/11/1026641811.db2.gz WFFWXKBTQRCFGP-XGXHKWSGSA-N 2 0 302.437 3.678 20 0 DHADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000513698277 1026670850 /nfs/dbraw/zinc/67/08/50/1026670850.db2.gz YOWGZZJHJKKNJH-ZACQAIPSSA-N 2 0 304.503 3.679 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)OC)ccc1OC ZINC000810257215 1026731653 /nfs/dbraw/zinc/73/16/53/1026731653.db2.gz NHJAWQJXLKSFFJ-PMPSAXMXSA-N 2 0 322.493 3.611 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000810253545 1026732043 /nfs/dbraw/zinc/73/20/43/1026732043.db2.gz WPSZZBNWGKROSH-BRWVUGGUSA-N 2 0 310.551 3.762 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2csc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000513717187 1026785812 /nfs/dbraw/zinc/78/58/12/1026785812.db2.gz MHWXSAPVMRHZPV-OKZBNKHCSA-N 2 0 314.498 3.906 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000420292719 1026796587 /nfs/dbraw/zinc/79/65/87/1026796587.db2.gz MACXUKKPZHABSS-UHFFFAOYSA-N 2 0 310.869 3.559 20 0 DHADRP C[C@@H]1SCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000420306605 1026801029 /nfs/dbraw/zinc/80/10/29/1026801029.db2.gz QMMKWAJSJZABST-XYJFISCASA-N 2 0 304.503 3.555 20 0 DHADRP CC(C)c1csc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420310214 1026801135 /nfs/dbraw/zinc/80/11/35/1026801135.db2.gz FPVTZNISPYFSRE-CVEARBPZSA-N 2 0 321.534 3.836 20 0 DHADRP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340526 1026804830 /nfs/dbraw/zinc/80/48/30/1026804830.db2.gz SHDMPXRUEPFQEL-ROUUACIJSA-N 2 0 308.416 3.880 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420328304 1026805821 /nfs/dbraw/zinc/80/58/21/1026805821.db2.gz ZCNPVXVQABZEEM-VQIMIIECSA-N 2 0 302.462 3.612 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOc1cccc2ccccc21 ZINC000420371501 1026809681 /nfs/dbraw/zinc/80/96/81/1026809681.db2.gz WVRGXDAQARNFSC-IBGZPJMESA-N 2 0 312.457 3.586 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420386939 1026811475 /nfs/dbraw/zinc/81/14/75/1026811475.db2.gz VJKKOVIFYXQFQX-BVGQSLNGSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@H](c1ccccc1Cl)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420382069 1026813017 /nfs/dbraw/zinc/81/30/17/1026813017.db2.gz DILDKIQFNXDEED-XUWXXGDYSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccc([C@@H](C)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000628352563 1026816513 /nfs/dbraw/zinc/81/65/13/1026816513.db2.gz MVRIDLMUEGVUAE-KRWDZBQOSA-N 2 0 300.490 3.810 20 0 DHADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924931584 1026944891 /nfs/dbraw/zinc/94/48/91/1026944891.db2.gz VGHBJYKUVJUCEO-YGPBLSMFSA-N 2 0 308.510 3.577 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421379891 1026972327 /nfs/dbraw/zinc/97/23/27/1026972327.db2.gz XSAUIOKKUUTMEC-UHFFFAOYSA-N 2 0 310.869 3.701 20 0 DHADRP C[N@@H+](Cc1c(Cl)oc2ccccc21)CC1CC[NH+](C)CC1 ZINC000513750182 1027005779 /nfs/dbraw/zinc/00/57/79/1027005779.db2.gz CHMKQFLDMYPTLX-UHFFFAOYSA-N 2 0 306.837 3.860 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2Cc3ccccc3C2)cc1 ZINC000811506639 1027024036 /nfs/dbraw/zinc/02/40/36/1027024036.db2.gz CBAQQXHFCOWTTE-UHFFFAOYSA-N 2 0 308.469 3.595 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C(C)C)c(F)c1 ZINC000421851696 1027065901 /nfs/dbraw/zinc/06/59/01/1027065901.db2.gz GCFOHYRNPVKNSO-DNVCBOLYSA-N 2 0 322.468 3.853 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000421850403 1027066894 /nfs/dbraw/zinc/06/68/94/1027066894.db2.gz DLLVOUYGGSCLSI-CYBMUJFWSA-N 2 0 324.871 3.874 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000421850404 1027067030 /nfs/dbraw/zinc/06/70/30/1027067030.db2.gz DLLVOUYGGSCLSI-ZDUSSCGKSA-N 2 0 324.871 3.874 20 0 DHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000421864341 1027069421 /nfs/dbraw/zinc/06/94/21/1027069421.db2.gz YIULWTFLPNEQJK-ZDUSSCGKSA-N 2 0 310.869 3.874 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421874121 1027076311 /nfs/dbraw/zinc/07/63/11/1027076311.db2.gz IJBHVNLZJAZVFM-ZOJXTTQQSA-N 2 0 322.468 3.994 20 0 DHADRP CCSCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000571288870 1027115007 /nfs/dbraw/zinc/11/50/07/1027115007.db2.gz JECHLAKJETZMIS-OAHLLOKOSA-N 2 0 312.548 3.563 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000271765039 1027139582 /nfs/dbraw/zinc/13/95/82/1027139582.db2.gz ACDGWKVVDQFCCM-UHFFFAOYSA-N 2 0 318.367 3.576 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000561956508 1027141415 /nfs/dbraw/zinc/14/14/15/1027141415.db2.gz HRGURFJVPFUQJU-OALUTQOASA-N 2 0 323.569 3.549 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000561975431 1027153405 /nfs/dbraw/zinc/15/34/05/1027153405.db2.gz MDDNDGDNKOKRTB-YJBOKZPZSA-N 2 0 304.453 3.593 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170657898 1027156409 /nfs/dbraw/zinc/15/64/09/1027156409.db2.gz HMUNVXCCFWKVMV-KRWDZBQOSA-N 2 0 322.443 3.534 20 0 DHADRP CC[C@@H]1CC[C@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000562017128 1027181952 /nfs/dbraw/zinc/18/19/52/1027181952.db2.gz VGMHUAGSYZFNNX-LHDHZVESSA-N 2 0 300.490 3.921 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000562055607 1027201670 /nfs/dbraw/zinc/20/16/70/1027201670.db2.gz GLHDMSNCOYHDEW-WOCWXWTJSA-N 2 0 318.505 3.896 20 0 DHADRP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001170672172 1027230074 /nfs/dbraw/zinc/23/00/74/1027230074.db2.gz GRPHCYLXTUYUNS-QGZVFWFLSA-N 2 0 322.443 3.678 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ncsc2c1 ZINC000362515284 1027259133 /nfs/dbraw/zinc/25/91/33/1027259133.db2.gz FTFJHBINXPJMNR-NWANDNLSSA-N 2 0 301.459 3.574 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000924953527 1027278321 /nfs/dbraw/zinc/27/83/21/1027278321.db2.gz CSYXIAPPUQWSIH-OAQYLSRUSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000573335035 1027282973 /nfs/dbraw/zinc/28/29/73/1027282973.db2.gz DPWMJFJGRLXORN-PBHICJAKSA-N 2 0 314.404 3.930 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000422563344 1027285017 /nfs/dbraw/zinc/28/50/17/1027285017.db2.gz SQTCCHNLKZEUMG-GPMSIDNRSA-N 2 0 309.457 3.554 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924955580 1027289062 /nfs/dbraw/zinc/28/90/62/1027289062.db2.gz PDGRUWNORSZHNC-AZUAARDMSA-N 2 0 315.505 3.504 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422700043 1027296918 /nfs/dbraw/zinc/29/69/18/1027296918.db2.gz FXVBWONWWZSOSX-UPSZCFJUSA-N 2 0 314.473 3.657 20 0 DHADRP CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732064 1027299942 /nfs/dbraw/zinc/29/99/42/1027299942.db2.gz NFOBFLQBKMENAW-WDYCEAGBSA-N 2 0 302.462 3.657 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000573512145 1027301551 /nfs/dbraw/zinc/30/15/51/1027301551.db2.gz SGZVZUMJQVAESL-VAMGGRTRSA-N 2 0 316.489 3.746 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422735779 1027301804 /nfs/dbraw/zinc/30/18/04/1027301804.db2.gz VJYOKIMHDITXLW-LRDDRELGSA-N 2 0 312.860 3.734 20 0 DHADRP CCC1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422716271 1027303281 /nfs/dbraw/zinc/30/32/81/1027303281.db2.gz JXBDQAFRSGBGPF-AURQOUSISA-N 2 0 314.473 3.801 20 0 DHADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422723241 1027306620 /nfs/dbraw/zinc/30/66/20/1027306620.db2.gz QOLSCBLYTUAPFS-BXWFABGCSA-N 2 0 304.478 3.525 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422739951 1027310609 /nfs/dbraw/zinc/31/06/09/1027310609.db2.gz AWEZKFFLFTYVMU-CVAIRZPRSA-N 2 0 308.425 3.593 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCSc1ccccc1 ZINC000422768222 1027313401 /nfs/dbraw/zinc/31/34/01/1027313401.db2.gz ZHVQXKDSJKKSIC-APWZRJJASA-N 2 0 314.498 3.717 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCSc1ccccc1 ZINC000422766333 1027313823 /nfs/dbraw/zinc/31/38/23/1027313823.db2.gz WYQWYOQBXKEQCH-AWEZNQCLSA-N 2 0 315.486 3.682 20 0 DHADRP Cc1ccc(SCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422754895 1027314680 /nfs/dbraw/zinc/31/46/80/1027314680.db2.gz BBOARGYTGIPBDA-QFBILLFUSA-N 2 0 314.498 3.635 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422754773 1027315344 /nfs/dbraw/zinc/31/53/44/1027315344.db2.gz GDRRSVIUWBEYCK-OKZBNKHCSA-N 2 0 304.453 3.614 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000422787552 1027322716 /nfs/dbraw/zinc/32/27/16/1027322716.db2.gz RNYDKMOPANCOOB-KXBFYZLASA-N 2 0 300.421 3.827 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422785282 1027322779 /nfs/dbraw/zinc/32/27/79/1027322779.db2.gz NIWMKRDBTUOZPN-HIFRSBDPSA-N 2 0 313.445 3.578 20 0 DHADRP C[C@H](OCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422794649 1027323610 /nfs/dbraw/zinc/32/36/10/1027323610.db2.gz ZHHUUHYACAJXSO-BEVDRBHNSA-N 2 0 310.441 3.889 20 0 DHADRP Cc1cccc(Oc2cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccn2)c1C ZINC000422803439 1027325190 /nfs/dbraw/zinc/32/51/90/1027325190.db2.gz FYNQKAGPUROKND-GJZGRUSLSA-N 2 0 313.445 3.706 20 0 DHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2)cs1 ZINC000422800533 1027325659 /nfs/dbraw/zinc/32/56/59/1027325659.db2.gz CCPDXXKIVGSQEP-AFAVFJNCSA-N 2 0 315.486 3.897 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000422803962 1027327312 /nfs/dbraw/zinc/32/73/12/1027327312.db2.gz DSDSJUMGVHLSMT-AVGNSLFASA-N 2 0 302.384 3.914 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000422804192 1027327584 /nfs/dbraw/zinc/32/75/84/1027327584.db2.gz DUYMJJXREMVBQY-FTRWYGJKSA-N 2 0 309.457 3.787 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000422798700 1027327943 /nfs/dbraw/zinc/32/79/43/1027327943.db2.gz SLEJNHBPYUONJQ-RYUDHWBXSA-N 2 0 319.399 3.581 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422807026 1027331953 /nfs/dbraw/zinc/33/19/53/1027331953.db2.gz LPIVXPUHOIPZMY-NEPJUHHUSA-N 2 0 304.356 3.753 20 0 DHADRP FC(F)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422826669 1027335133 /nfs/dbraw/zinc/33/51/33/1027335133.db2.gz LRUPGLOURVSWOD-DVJFUJMWSA-N 2 0 322.399 3.538 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000422853106 1027338958 /nfs/dbraw/zinc/33/89/58/1027338958.db2.gz BKFGNNLWYLUKFG-CXAGYDPISA-N 2 0 313.470 3.736 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422835636 1027340253 /nfs/dbraw/zinc/34/02/53/1027340253.db2.gz YYTTWVVITMVQJD-BLLLJJGKSA-N 2 0 312.404 3.773 20 0 DHADRP CCOCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000573956370 1027345872 /nfs/dbraw/zinc/34/58/72/1027345872.db2.gz YHFCVASIQICEBV-FUHWJXTLSA-N 2 0 310.526 3.682 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1OC1CCCC1 ZINC000422877680 1027345805 /nfs/dbraw/zinc/34/58/05/1027345805.db2.gz INKQWJAAFAZEEC-HUUCEWRRSA-N 2 0 320.477 3.795 20 0 DHADRP COc1ccc(C2(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCCCC2)cc1 ZINC000422896586 1027355625 /nfs/dbraw/zinc/35/56/25/1027355625.db2.gz AMWKCPXMJWPIHS-JKSUJKDBSA-N 2 0 304.478 3.613 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422906426 1027356888 /nfs/dbraw/zinc/35/68/88/1027356888.db2.gz VDOGYAWXPRDQRA-STQMWFEESA-N 2 0 318.383 3.796 20 0 DHADRP COc1ccccc1Oc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422911055 1027358083 /nfs/dbraw/zinc/35/80/83/1027358083.db2.gz SBDYLFFBPIXBRV-HNNXBMFYSA-N 2 0 314.429 3.705 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422913935 1027358257 /nfs/dbraw/zinc/35/82/57/1027358257.db2.gz ZNPWPETXLNCMBQ-NWDGAFQWSA-N 2 0 302.384 3.698 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422915733 1027359076 /nfs/dbraw/zinc/35/90/76/1027359076.db2.gz BRMVZGHESXOZOE-AZCLRUCKSA-N 2 0 313.489 3.756 20 0 DHADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(Cl)c1 ZINC000422892579 1027361937 /nfs/dbraw/zinc/36/19/37/1027361937.db2.gz YTEABMDAJXKDJW-QZTJIDSGSA-N 2 0 316.832 3.626 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422927776 1027365226 /nfs/dbraw/zinc/36/52/26/1027365226.db2.gz HBYXTJJGVQSHFZ-INIZCTEOSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1C[NH2+]C1 ZINC000422936168 1027366446 /nfs/dbraw/zinc/36/64/46/1027366446.db2.gz FAXBFDZSNKRJPJ-LIRRHRJNSA-N 2 0 314.860 3.821 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422943141 1027368016 /nfs/dbraw/zinc/36/80/16/1027368016.db2.gz KFDSVMQXAUDSBZ-BZUAXINKSA-N 2 0 322.518 3.544 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422940752 1027369274 /nfs/dbraw/zinc/36/92/74/1027369274.db2.gz UIPXHVOEGSHJLF-ICSRJNTNSA-N 2 0 324.468 3.840 20 0 DHADRP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917672 1027370297 /nfs/dbraw/zinc/37/02/97/1027370297.db2.gz FLWXJSKNTIUJND-CHWSQXEVSA-N 2 0 318.383 3.580 20 0 DHADRP Clc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422944273 1027374745 /nfs/dbraw/zinc/37/47/45/1027374745.db2.gz LGJGBALVMGTBRK-KSZLIROESA-N 2 0 306.881 3.783 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccccc2)cc1 ZINC000422945761 1027375704 /nfs/dbraw/zinc/37/57/04/1027375704.db2.gz NUENUHGCKLPWRC-GQIGUUNPSA-N 2 0 312.457 3.890 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422995222 1027384080 /nfs/dbraw/zinc/38/40/80/1027384080.db2.gz JQALWAOMIGFFLW-HNNXBMFYSA-N 2 0 309.457 3.522 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)Nc1ccccc1 ZINC000422981578 1027386890 /nfs/dbraw/zinc/38/68/90/1027386890.db2.gz SYYBBNXDOMNECA-ZCNNSNEGSA-N 2 0 309.457 3.858 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006590 1027390199 /nfs/dbraw/zinc/39/01/99/1027390199.db2.gz VZAITAHFTWIFRE-RBUKOAKNSA-N 2 0 314.404 3.630 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423012109 1027391250 /nfs/dbraw/zinc/39/12/50/1027391250.db2.gz CJXNFIZPBBAREY-IAQYHMDHSA-N 2 0 300.368 3.874 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423019964 1027394516 /nfs/dbraw/zinc/39/45/16/1027394516.db2.gz YBLYGFFNFBYSIX-LSDHHAIUSA-N 2 0 313.272 3.885 20 0 DHADRP CC(C)(C)c1nc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cs1 ZINC000423021135 1027395280 /nfs/dbraw/zinc/39/52/80/1027395280.db2.gz DMNWULJEJDHPBY-HOTGVXAUSA-N 2 0 315.486 3.718 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423045537 1027400912 /nfs/dbraw/zinc/40/09/12/1027400912.db2.gz SOKJIQHJFGSAOF-NIKGAXFTSA-N 2 0 302.437 3.739 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423057929 1027404423 /nfs/dbraw/zinc/40/44/23/1027404423.db2.gz INRLYRSEHLENLT-MNOVXSKESA-N 2 0 318.358 3.592 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423052133 1027406884 /nfs/dbraw/zinc/40/68/84/1027406884.db2.gz PUSGZPDABUUPID-MSOLQXFVSA-N 2 0 310.485 3.803 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079534 1027410326 /nfs/dbraw/zinc/41/03/26/1027410326.db2.gz QVBZXKPZJPNWLZ-UWVGGRQHSA-N 2 0 314.260 3.733 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423087538 1027410336 /nfs/dbraw/zinc/41/03/36/1027410336.db2.gz PRIAEHVCQITWNO-QXCFHYIPSA-N 2 0 302.437 3.713 20 0 DHADRP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423102975 1027410867 /nfs/dbraw/zinc/41/08/67/1027410867.db2.gz FRULLQZWILWVQV-WFFDWFOESA-N 2 0 306.881 3.952 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000423085070 1027411263 /nfs/dbraw/zinc/41/12/63/1027411263.db2.gz JFRBTRYHCNTUGK-QRVBRYPASA-N 2 0 316.489 3.583 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)c2ccccc21 ZINC000423088012 1027411351 /nfs/dbraw/zinc/41/13/51/1027411351.db2.gz QVENMKOBZVAJFE-MAODMQOUSA-N 2 0 321.468 3.637 20 0 DHADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423095202 1027414011 /nfs/dbraw/zinc/41/40/11/1027414011.db2.gz LPJAHDAOENMBJO-QSGLGXSPSA-N 2 0 320.427 3.721 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095118 1027414380 /nfs/dbraw/zinc/41/43/80/1027414380.db2.gz DHQPTUTVDUIUQJ-WNZJFKNXSA-N 2 0 310.844 3.832 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423092052 1027415117 /nfs/dbraw/zinc/41/51/17/1027415117.db2.gz AHCIVSBRTQWEDK-WJNVRWDZSA-N 2 0 300.368 3.667 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423102697 1027418155 /nfs/dbraw/zinc/41/81/55/1027418155.db2.gz ONFQYQURDCGISS-RAIGVLPGSA-N 2 0 301.261 3.956 20 0 DHADRP CC[C@@H]([NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423118176 1027418274 /nfs/dbraw/zinc/41/82/74/1027418274.db2.gz ZDSBOSBINOIGPC-JOCBIADPSA-N 2 0 320.452 3.591 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Oc2cccnc2)cc1 ZINC000423124483 1027421266 /nfs/dbraw/zinc/42/12/66/1027421266.db2.gz MNPNJCFQYXDBJS-QTXGHNMQSA-N 2 0 323.440 3.808 20 0 DHADRP CC(C)(C)C(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423120965 1027421430 /nfs/dbraw/zinc/42/14/30/1027421430.db2.gz ADAUBDUSAOJQLJ-UZLBHIALSA-N 2 0 316.489 3.904 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423105964 1027425339 /nfs/dbraw/zinc/42/53/39/1027425339.db2.gz NXNOWHOMTIWXKE-NSHDSACASA-N 2 0 309.866 3.681 20 0 DHADRP CC(C)(CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423130244 1027425367 /nfs/dbraw/zinc/42/53/67/1027425367.db2.gz GIAQRGGJNDVSAW-PXNSSMCTSA-N 2 0 314.473 3.658 20 0 DHADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000423103711 1027425942 /nfs/dbraw/zinc/42/59/42/1027425942.db2.gz XXEANTRTKGBDSC-NSISKUIASA-N 2 0 313.489 3.518 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423113675 1027427873 /nfs/dbraw/zinc/42/78/73/1027427873.db2.gz KTQVOXXLOONZCS-YHUYYLMFSA-N 2 0 300.437 3.712 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000423145772 1027429026 /nfs/dbraw/zinc/42/90/26/1027429026.db2.gz MJXSNRDCTSUDQM-GFCCVEGCSA-N 2 0 316.367 3.681 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423150626 1027430964 /nfs/dbraw/zinc/43/09/64/1027430964.db2.gz BMUSHRMEJLFITA-KSLSASGISA-N 2 0 323.278 3.712 20 0 DHADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423134182 1027431973 /nfs/dbraw/zinc/43/19/73/1027431973.db2.gz DLYRZKOGSIKKLG-CGTJXYLNSA-N 2 0 306.881 3.701 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000423151533 1027432605 /nfs/dbraw/zinc/43/26/05/1027432605.db2.gz COCFHDCDTNROSI-IAGOWNOFSA-N 2 0 320.795 3.592 20 0 DHADRP C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423135902 1027433860 /nfs/dbraw/zinc/43/38/60/1027433860.db2.gz ONSBMJQXBJIBIF-NUEKZKHPSA-N 2 0 314.395 3.843 20 0 DHADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423137060 1027435357 /nfs/dbraw/zinc/43/53/57/1027435357.db2.gz WAOKMVJWVNAPDC-YHUYYLMFSA-N 2 0 300.437 3.712 20 0 DHADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924960955 1027435698 /nfs/dbraw/zinc/43/56/98/1027435698.db2.gz UURWQNMGEIAUPV-RBUKOAKNSA-N 2 0 310.526 3.683 20 0 DHADRP Cc1ccc(Oc2ccccc2CC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423168984 1027438410 /nfs/dbraw/zinc/43/84/10/1027438410.db2.gz IIODPFOPEAVINL-MRXNPFEDSA-N 2 0 310.441 3.527 20 0 DHADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000423164227 1027439117 /nfs/dbraw/zinc/43/91/17/1027439117.db2.gz SLEVICPLXUDPTO-NSHGMRRFSA-N 2 0 314.473 3.801 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000574945853 1027442167 /nfs/dbraw/zinc/44/21/67/1027442167.db2.gz DLLXDGACDBFJQI-KAMYIIQDSA-N 2 0 322.399 3.543 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423175516 1027443185 /nfs/dbraw/zinc/44/31/85/1027443185.db2.gz DUFDDORHTIZZQE-JKSUJKDBSA-N 2 0 308.416 3.636 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423207014 1027444618 /nfs/dbraw/zinc/44/46/18/1027444618.db2.gz GKCINUFDYNZEPC-XYJFISCASA-N 2 0 306.881 3.640 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423206994 1027445365 /nfs/dbraw/zinc/44/53/65/1027445365.db2.gz XNFKDSVFCJBNCD-ATZDWAIDSA-N 2 0 316.489 3.829 20 0 DHADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423188173 1027447978 /nfs/dbraw/zinc/44/79/78/1027447978.db2.gz PSTXDNJZFCLVTH-LBPRGKRZSA-N 2 0 304.434 3.957 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423213354 1027449726 /nfs/dbraw/zinc/44/97/26/1027449726.db2.gz JVINKRYORGFARJ-MBNYWOFBSA-N 2 0 309.523 3.788 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000575101403 1027454998 /nfs/dbraw/zinc/45/49/98/1027454998.db2.gz JXTJFAMSCFFHDO-AWEZNQCLSA-N 2 0 312.860 3.732 20 0 DHADRP COc1cccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423217135 1027458080 /nfs/dbraw/zinc/45/80/80/1027458080.db2.gz SZANBRQKYKGOOY-RXVVDRJESA-N 2 0 324.468 3.568 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000423214591 1027458585 /nfs/dbraw/zinc/45/85/85/1027458585.db2.gz LHZJGMLHFQFPAL-UNGSAITNSA-N 2 0 320.452 3.720 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423221895 1027462347 /nfs/dbraw/zinc/46/23/47/1027462347.db2.gz YPOBDRQGKZGATE-BQFCYCMXSA-N 2 0 304.478 3.904 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220364 1027463067 /nfs/dbraw/zinc/46/30/67/1027463067.db2.gz YGTWAFWRONSLAT-ZFWWWQNUSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000423220825 1027462775 /nfs/dbraw/zinc/46/27/75/1027462775.db2.gz VYIQITNQCHNPHD-GCVQQVDUSA-N 2 0 318.795 3.862 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CCCO2 ZINC000423218045 1027462828 /nfs/dbraw/zinc/46/28/28/1027462828.db2.gz REAVCPNWPOPUJV-ZUEPYMLJSA-N 2 0 308.853 3.722 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423225871 1027465833 /nfs/dbraw/zinc/46/58/33/1027465833.db2.gz OOEDPPZXAMFGOA-IRXDYDNUSA-N 2 0 304.478 3.680 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(SCC(F)F)cc1 ZINC000423221767 1027466403 /nfs/dbraw/zinc/46/64/03/1027466403.db2.gz XZZODBXCOWSXJX-LMWSTFAQSA-N 2 0 314.445 3.964 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423262089 1027467542 /nfs/dbraw/zinc/46/75/42/1027467542.db2.gz UGTNTPMBEFFQBF-UONOGXRCSA-N 2 0 312.404 3.637 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423244132 1027472819 /nfs/dbraw/zinc/47/28/19/1027472819.db2.gz HGVMMIAWLNDDCZ-MAUKXSAKSA-N 2 0 302.462 3.613 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250434 1027474844 /nfs/dbraw/zinc/47/48/44/1027474844.db2.gz QEPGHNRUSIAHQS-HZPDHXFCSA-N 2 0 313.489 3.813 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423257247 1027480258 /nfs/dbraw/zinc/48/02/58/1027480258.db2.gz IIFMBTPDRXVFBA-STQMWFEESA-N 2 0 300.368 3.746 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423285764 1027483093 /nfs/dbraw/zinc/48/30/93/1027483093.db2.gz ZZGQZTYKENREJI-UONOGXRCSA-N 2 0 314.395 3.616 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423292686 1027486397 /nfs/dbraw/zinc/48/63/97/1027486397.db2.gz NYQVMMPZQMGULL-KGLIPLIRSA-N 2 0 314.429 3.574 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C12CCCC2 ZINC000423291145 1027486419 /nfs/dbraw/zinc/48/64/19/1027486419.db2.gz HABBCHHLBGQHAZ-FHLIZLRMSA-N 2 0 302.462 3.534 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423273030 1027488834 /nfs/dbraw/zinc/48/88/34/1027488834.db2.gz KFBFNXQOZRWXIV-COPLHBTASA-N 2 0 319.276 3.722 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(OC)c1 ZINC000423293223 1027489874 /nfs/dbraw/zinc/48/98/74/1027489874.db2.gz QIGOZQKVPIIDND-ZIAGYGMSSA-N 2 0 314.429 3.574 20 0 DHADRP CCC([NH3+])(CC)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423294720 1027499141 /nfs/dbraw/zinc/49/91/41/1027499141.db2.gz VAEHRODJVMCILI-UHFFFAOYSA-N 3 0 317.521 3.537 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCC1 ZINC000423322378 1027499200 /nfs/dbraw/zinc/49/92/00/1027499200.db2.gz IIJIWEJCQWGCNN-LSDHHAIUSA-N 2 0 312.379 3.813 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000423294534 1027499693 /nfs/dbraw/zinc/49/96/93/1027499693.db2.gz UQXOVDLFKXLJEQ-HZPDHXFCSA-N 2 0 320.440 3.743 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956311 1027500035 /nfs/dbraw/zinc/50/00/35/1027500035.db2.gz MQSYMPXZYZMROT-DKDZKRTASA-N 2 0 302.437 3.664 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423294584 1027500029 /nfs/dbraw/zinc/50/00/29/1027500029.db2.gz UXEYCPMGOQPPFY-VBKZILBWSA-N 2 0 310.441 3.882 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423317531 1027500364 /nfs/dbraw/zinc/50/03/64/1027500364.db2.gz BRZYVERFLOQRMB-WFASDCNBSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000423296822 1027503898 /nfs/dbraw/zinc/50/38/98/1027503898.db2.gz ZXOWBJWAEHQFHQ-MDKPJZGXSA-N 2 0 324.468 3.964 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423297822 1027503926 /nfs/dbraw/zinc/50/39/26/1027503926.db2.gz LZXMSDWGGDGBGP-LSDHHAIUSA-N 2 0 316.420 3.650 20 0 DHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cnn1C(C)C ZINC000423296169 1027504267 /nfs/dbraw/zinc/50/42/67/1027504267.db2.gz YMPJCFBKNWNWAU-UONOGXRCSA-N 2 0 300.450 3.643 20 0 DHADRP CC1(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000423321965 1027506746 /nfs/dbraw/zinc/50/67/46/1027506746.db2.gz GRGRINLRSKXLOF-CQSZACIVSA-N 2 0 313.272 3.960 20 0 DHADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000423347593 1027507017 /nfs/dbraw/zinc/50/70/17/1027507017.db2.gz QRQWUZHDBDSOKM-HXUWFJFHSA-N 2 0 310.441 3.809 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423322974 1027507547 /nfs/dbraw/zinc/50/75/47/1027507547.db2.gz HTWQFROHSIHHKQ-GOSISDBHSA-N 2 0 311.473 3.833 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423345948 1027508530 /nfs/dbraw/zinc/50/85/30/1027508530.db2.gz OQPKRPRNKGHHSF-VQTJNVASSA-N 2 0 314.473 3.619 20 0 DHADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000423326199 1027511049 /nfs/dbraw/zinc/51/10/49/1027511049.db2.gz QTJHVGARVWHFND-NUEKZKHPSA-N 2 0 312.379 3.668 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(F)ccc1F ZINC000423370299 1027523650 /nfs/dbraw/zinc/52/36/50/1027523650.db2.gz FOYWKKDLGREJTH-GOSISDBHSA-N 2 0 302.368 3.809 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296052579 1027529195 /nfs/dbraw/zinc/52/91/95/1027529195.db2.gz VFJLPVFJGLAACR-FFHGMXDLSA-N 2 0 324.415 3.872 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc2cc(OC)ccc2c1 ZINC000423391343 1027531496 /nfs/dbraw/zinc/53/14/96/1027531496.db2.gz KWUILEVVYZOHNS-UAOJZALGSA-N 2 0 312.457 3.887 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296061220 1027531545 /nfs/dbraw/zinc/53/15/45/1027531545.db2.gz VUSMTUSNVGQJRX-NXEWRWPSSA-N 2 0 300.490 3.859 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CC[NH2+]1 ZINC000423385378 1027531622 /nfs/dbraw/zinc/53/16/22/1027531622.db2.gz QWGLVAAZBVBRQP-XHBSWPGZSA-N 2 0 323.278 3.557 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)CC[NH2+]1 ZINC000423393976 1027532980 /nfs/dbraw/zinc/53/29/80/1027532980.db2.gz ZCDAUXSTJNYFFN-XFJVYGCCSA-N 2 0 323.278 3.557 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423400358 1027534031 /nfs/dbraw/zinc/53/40/31/1027534031.db2.gz QGNYGMMPQPVOLX-ZFZLTOMUSA-N 2 0 316.489 3.550 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000423422145 1027536680 /nfs/dbraw/zinc/53/66/80/1027536680.db2.gz CYDVAEQTGDRDBK-MNOVXSKESA-N 2 0 317.246 3.756 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423422562 1027537648 /nfs/dbraw/zinc/53/76/48/1027537648.db2.gz BKCIJTPTFHSIIX-DSIZOQBWSA-N 2 0 306.881 3.810 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423422567 1027538338 /nfs/dbraw/zinc/53/83/38/1027538338.db2.gz BKCIJTPTFHSIIX-XLQHLMKVSA-N 2 0 306.881 3.810 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(C)ccc1OC ZINC000423403705 1027538983 /nfs/dbraw/zinc/53/89/83/1027538983.db2.gz XCZDHRAPPYRKMY-LJQANCHMSA-N 2 0 310.441 3.848 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423409716 1027541294 /nfs/dbraw/zinc/54/12/94/1027541294.db2.gz ZBAIEBHTCYALDY-XNRPHZJLSA-N 2 0 312.910 3.798 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)C1CCCC1 ZINC000423408274 1027541867 /nfs/dbraw/zinc/54/18/67/1027541867.db2.gz XDYJVRKNCIJCQF-POZUXBRTSA-N 2 0 302.462 3.514 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423443791 1027544658 /nfs/dbraw/zinc/54/46/58/1027544658.db2.gz AQGZXMMQOCWIGP-KSSFIOAISA-N 2 0 317.864 3.736 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423434021 1027550357 /nfs/dbraw/zinc/55/03/57/1027550357.db2.gz CWBMCAUNTJCXFZ-GVDBMIGSSA-N 2 0 304.478 3.678 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)C1 ZINC000423461270 1027554948 /nfs/dbraw/zinc/55/49/48/1027554948.db2.gz BWZIUTFJUIXZHF-KLIQENQMSA-N 2 0 320.452 3.543 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)oc21 ZINC000423463930 1027555981 /nfs/dbraw/zinc/55/59/81/1027555981.db2.gz GBPFZGJVMHVBFW-KCQAQPDRSA-N 2 0 302.418 3.610 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1-c1cccc(Cl)c1 ZINC000423464992 1027555999 /nfs/dbraw/zinc/55/59/99/1027555999.db2.gz WHZGXUDFCNKASX-CHWSQXEVSA-N 2 0 320.868 3.612 20 0 DHADRP Clc1ccccc1C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423475881 1027560329 /nfs/dbraw/zinc/56/03/29/1027560329.db2.gz IEVWHNOKYUYEAI-AEFFLSMTSA-N 2 0 306.881 3.783 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423478744 1027560915 /nfs/dbraw/zinc/56/09/15/1027560915.db2.gz LGEZALWKVGFHGP-DZGCQCFKSA-N 2 0 310.869 3.922 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cc(Br)cs1 ZINC000423478016 1027561673 /nfs/dbraw/zinc/56/16/73/1027561673.db2.gz SYCUVTSLRXFJNE-UMNHJUIQSA-N 2 0 317.296 3.679 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000423500834 1027563676 /nfs/dbraw/zinc/56/36/76/1027563676.db2.gz JBWKDOVJMJMOBT-HRCADAONSA-N 2 0 324.896 3.913 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000423504249 1027568309 /nfs/dbraw/zinc/56/83/09/1027568309.db2.gz KUXKBELYJOHOPS-ACJLOTCBSA-N 2 0 316.395 3.771 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000423485638 1027569928 /nfs/dbraw/zinc/56/99/28/1027569928.db2.gz VKEQPKKPTSSMRM-LAUBAEHRSA-N 2 0 323.484 3.577 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423487816 1027569979 /nfs/dbraw/zinc/56/99/79/1027569979.db2.gz CYLHMQNYMLEEFR-KCQAQPDRSA-N 2 0 301.459 3.588 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)ccc1OC(F)F ZINC000423484825 1027571328 /nfs/dbraw/zinc/57/13/28/1027571328.db2.gz AISVMZUFVLHFQX-JBLDHEPKSA-N 2 0 318.795 3.719 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)c2ccccc2)c1 ZINC000423493410 1027573146 /nfs/dbraw/zinc/57/31/46/1027573146.db2.gz PZFJWQBHFGVHQU-CUWPLCDZSA-N 2 0 324.468 3.696 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000423493728 1027574200 /nfs/dbraw/zinc/57/42/00/1027574200.db2.gz QXNNKNLZDWJRMZ-JMSVASOKSA-N 2 0 311.267 3.617 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000423493472 1027574767 /nfs/dbraw/zinc/57/47/67/1027574767.db2.gz QCVZDPUQPSAEAZ-GLQYFDAESA-N 2 0 311.267 3.617 20 0 DHADRP CCC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCCC1 ZINC000423525954 1027579825 /nfs/dbraw/zinc/57/98/25/1027579825.db2.gz YWFKMWUBUYTNGO-MHJFOBGBSA-N 2 0 321.553 3.541 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423540275 1027584258 /nfs/dbraw/zinc/58/42/58/1027584258.db2.gz JNJCPFAZWXMDJJ-DONWEKBKSA-N 2 0 318.892 3.954 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1OC(F)F ZINC000423543115 1027584288 /nfs/dbraw/zinc/58/42/88/1027584288.db2.gz MYSJFDHVFRWSKL-AYDFFVQHSA-N 2 0 324.415 3.717 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CCCC2)o1 ZINC000423539666 1027584496 /nfs/dbraw/zinc/58/44/96/1027584496.db2.gz IQHNVCPPAMILMY-YWTNHNAXSA-N 2 0 302.462 3.797 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546071 1027587596 /nfs/dbraw/zinc/58/75/96/1027587596.db2.gz YLWBRLOLBAPMCV-OAHLLOKOSA-N 2 0 311.256 3.880 20 0 DHADRP CSC1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000576573271 1027634086 /nfs/dbraw/zinc/63/40/86/1027634086.db2.gz ILGOHISSVBCZNZ-INIZCTEOSA-N 2 0 310.551 3.859 20 0 DHADRP CC(C)C[NH+]1CCC([N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC001258016301 1027690200 /nfs/dbraw/zinc/69/02/00/1027690200.db2.gz GBFCXJUCLRKRQJ-UHFFFAOYSA-N 2 0 308.897 3.935 20 0 DHADRP CCCCCOc1cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000577383837 1027761610 /nfs/dbraw/zinc/76/16/10/1027761610.db2.gz KIHUWITUKQIDDK-DOTOQJQBSA-N 2 0 320.477 3.576 20 0 DHADRP C[C@H](c1cccc2ccccc21)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577492919 1027785371 /nfs/dbraw/zinc/78/53/71/1027785371.db2.gz RMBQYMDODVDIPX-LPTQZCDUSA-N 2 0 324.468 3.729 20 0 DHADRP COCc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000364296384 1027806922 /nfs/dbraw/zinc/80/69/22/1027806922.db2.gz BRIQBKJUGQVBDI-LEWJYISDSA-N 2 0 324.468 3.616 20 0 DHADRP CN1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 ZINC000364674732 1027869382 /nfs/dbraw/zinc/86/93/82/1027869382.db2.gz QMIDMMJGUWEOHT-OALUTQOASA-N 2 0 315.505 3.880 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+]CC3CC[NH+](CC4CCCC4)CC3)C[C@@H]21 ZINC001170732379 1027936103 /nfs/dbraw/zinc/93/61/03/1027936103.db2.gz ZBVIBVGTYOKVMH-LDLYASANSA-N 2 0 304.522 3.913 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH2+]CC3CC[NH+](CC4CCCC4)CC3)C[C@@H]21 ZINC001170732381 1027936461 /nfs/dbraw/zinc/93/64/61/1027936461.db2.gz ZBVIBVGTYOKVMH-REPLKXPHSA-N 2 0 304.522 3.913 20 0 DHADRP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)c1cccc(OC)c1 ZINC000563270782 1027963554 /nfs/dbraw/zinc/96/35/54/1027963554.db2.gz AKNBCYODKYQOOR-MRXNPFEDSA-N 2 0 324.468 3.924 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)CC1 ZINC000527948722 1027982181 /nfs/dbraw/zinc/98/21/81/1027982181.db2.gz WZCVPQNQCUGJBJ-RCCFBDPRSA-N 2 0 318.892 3.831 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH+]3CCC([NH3+])(c4ccc(F)cc4)CC3)C[C@@H]21 ZINC001170738197 1027999599 /nfs/dbraw/zinc/99/95/99/1027999599.db2.gz LCRHZNLENQSJCY-BJWYYQGGSA-N 2 0 302.437 3.510 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC([NH3+])(Cc4cccc(F)c4)CC3)C[C@@H]21 ZINC001170738465 1028002581 /nfs/dbraw/zinc/00/25/81/1028002581.db2.gz MMCKWSLSMAFZPR-NNZMDNLPSA-N 2 0 316.464 3.596 20 0 DHADRP Cc1cnc([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC000366179589 1028058591 /nfs/dbraw/zinc/05/85/91/1028058591.db2.gz QLYSRUBXZCOTCA-HOTGVXAUSA-N 2 0 307.507 3.505 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000578222521 1028095758 /nfs/dbraw/zinc/09/57/58/1028095758.db2.gz RGSVMGUBVPRRPO-RHSMWYFYSA-N 2 0 322.855 3.799 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000366955109 1028115742 /nfs/dbraw/zinc/11/57/42/1028115742.db2.gz QFAMWOMSNONCDI-GHTZIAJQSA-N 2 0 323.484 3.953 20 0 DHADRP CSC1(C[NH2+]C[C@H](c2ccccc2)C(C)C)CC[NH+](C)CC1 ZINC000578311564 1028115960 /nfs/dbraw/zinc/11/59/60/1028115960.db2.gz MUXZJQIVTLZPEN-SFHVURJKSA-N 2 0 320.546 3.843 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367044764 1028126794 /nfs/dbraw/zinc/12/67/94/1028126794.db2.gz XTRQJWRAPGLIIE-APWZRJJASA-N 2 0 301.478 3.570 20 0 DHADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200138 1028148858 /nfs/dbraw/zinc/14/88/58/1028148858.db2.gz NKOQEYPCECUZEA-HNNXBMFYSA-N 2 0 319.493 3.841 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)s3)C2)CC1 ZINC000367681928 1028225018 /nfs/dbraw/zinc/22/50/18/1028225018.db2.gz DYQPNAQKLGWENH-HNNXBMFYSA-N 2 0 321.534 3.604 20 0 DHADRP COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc2ccccc21 ZINC000449027521 1028267287 /nfs/dbraw/zinc/26/72/87/1028267287.db2.gz IWWYSQUWDLZLBB-KRWDZBQOSA-N 2 0 324.468 3.766 20 0 DHADRP CC[NH+]1CCC(NCc2cnc(-c3ccccc3F)s2)CC1 ZINC000449060344 1028297894 /nfs/dbraw/zinc/29/78/94/1028297894.db2.gz CZKWXVSJQSMZRC-UHFFFAOYSA-N 2 0 319.449 3.523 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449071520 1028334312 /nfs/dbraw/zinc/33/43/12/1028334312.db2.gz HOMDQJGPMGTMAR-AWEZNQCLSA-N 2 0 310.432 3.778 20 0 DHADRP CC(C)[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000579220719 1028353506 /nfs/dbraw/zinc/35/35/06/1028353506.db2.gz VVVBKTBRBVFTCH-INIZCTEOSA-N 2 0 314.395 3.992 20 0 DHADRP CC[N@@H+]1CCC[C@H](CNCc2cc(Cl)sc2Cl)C1 ZINC000449107319 1028357364 /nfs/dbraw/zinc/35/73/64/1028357364.db2.gz PFBLZAOWHSMTTK-SNVBAGLBSA-N 2 0 307.290 3.876 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2[C@@H]2CSCCc3ccccc32)CC1 ZINC000368566996 1028372114 /nfs/dbraw/zinc/37/21/14/1028372114.db2.gz KTXUPIIEPLADKO-GOSISDBHSA-N 2 0 316.514 3.577 20 0 DHADRP Cc1ccc2cc(C[N@H+]3CCCC34CC[NH+](C)CC4)ccc2n1 ZINC000368950898 1028428173 /nfs/dbraw/zinc/42/81/73/1028428173.db2.gz OAERVARCZLOMIJ-UHFFFAOYSA-N 2 0 309.457 3.603 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC000369186381 1028457514 /nfs/dbraw/zinc/45/75/14/1028457514.db2.gz CMSYDEUYWKQJJK-MOPGFXCFSA-N 2 0 315.505 3.882 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)CCc2ccc(F)cc2Cl)CC1 ZINC000564528643 1028470396 /nfs/dbraw/zinc/47/03/96/1028470396.db2.gz ITFIRNGLAIBVCE-UHFFFAOYSA-N 2 0 312.860 3.826 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000564823888 1028508268 /nfs/dbraw/zinc/50/82/68/1028508268.db2.gz NGWWFECOYHIUOC-DLBZAZTESA-N 2 0 318.367 3.565 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000449265238 1028516207 /nfs/dbraw/zinc/51/62/07/1028516207.db2.gz REYGOUUGDIFSDV-SJLPKXTDSA-N 2 0 324.553 3.806 20 0 DHADRP CC(C)OCCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000564959267 1028517942 /nfs/dbraw/zinc/51/79/42/1028517942.db2.gz QXIQWWUEMJGZJW-IBGZPJMESA-N 2 0 316.489 3.588 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000564973795 1028521665 /nfs/dbraw/zinc/52/16/65/1028521665.db2.gz ZOLFGUZJXAXNCE-CQSZACIVSA-N 2 0 307.507 3.752 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987120 1028525953 /nfs/dbraw/zinc/52/59/53/1028525953.db2.gz PDBONBSXVDBMGA-XJKSGUPXSA-N 2 0 312.379 3.842 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)(C)O ZINC000449345887 1028558206 /nfs/dbraw/zinc/55/82/06/1028558206.db2.gz XOXNZZDSLGEVMU-INIZCTEOSA-N 2 0 312.542 3.805 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000565225794 1028561785 /nfs/dbraw/zinc/56/17/85/1028561785.db2.gz GYWVWQGLDLBKTM-INMHGKMJSA-N 2 0 304.434 3.836 20 0 DHADRP C[C@H]([NH2+]CCCC(C)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449352846 1028587798 /nfs/dbraw/zinc/58/77/98/1028587798.db2.gz YLJCEYDIZMKHQT-DOTOQJQBSA-N 2 0 310.432 3.922 20 0 DHADRP C[C@@H]([NH2+]CCCC(C)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449352847 1028588264 /nfs/dbraw/zinc/58/82/64/1028588264.db2.gz YLJCEYDIZMKHQT-NVXWUHKLSA-N 2 0 310.432 3.922 20 0 DHADRP COc1cccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)CC2(C)C)c1 ZINC000528618183 1028609793 /nfs/dbraw/zinc/60/97/93/1028609793.db2.gz DLRSQESCPYJMKK-MJGOQNOKSA-N 2 0 316.489 3.605 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000370620750 1028625556 /nfs/dbraw/zinc/62/55/56/1028625556.db2.gz WXPKBFTYCBGAIO-JXXFODFXSA-N 2 0 309.457 3.567 20 0 DHADRP c1ccc2c(c1)CC(C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000565807413 1028634709 /nfs/dbraw/zinc/63/47/09/1028634709.db2.gz SLLUAQHJDARJJE-UHFFFAOYSA-N 2 0 320.480 3.787 20 0 DHADRP C[C@@H](CC(C)(C)O)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449449958 1028655255 /nfs/dbraw/zinc/65/52/55/1028655255.db2.gz NBFFEMXLVVZKEX-HNNXBMFYSA-N 2 0 312.542 3.805 20 0 DHADRP Cc1ncsc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449468792 1028669367 /nfs/dbraw/zinc/66/93/67/1028669367.db2.gz QNLWTSACQIXCPP-PBHICJAKSA-N 2 0 321.534 3.627 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000371109052 1028669733 /nfs/dbraw/zinc/66/97/33/1028669733.db2.gz UKRFJDALTKKVIF-PMACEKPBSA-N 2 0 316.489 3.542 20 0 DHADRP CC1CC[NH+](CCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000320778622 1028688226 /nfs/dbraw/zinc/68/82/26/1028688226.db2.gz VBMITIZWFMOSBJ-UHFFFAOYSA-N 2 0 316.489 3.612 20 0 DHADRP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566242468 1028692161 /nfs/dbraw/zinc/69/21/61/1028692161.db2.gz SAHFDUUGLLAUOS-IUODEOHRSA-N 2 0 310.844 3.862 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000371397116 1028703005 /nfs/dbraw/zinc/70/30/05/1028703005.db2.gz MRVANSMVHBSLQT-NBYUQASBSA-N 2 0 322.537 3.823 20 0 DHADRP C[C@@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CCn1ccnc1 ZINC000371651827 1028741129 /nfs/dbraw/zinc/74/11/29/1028741129.db2.gz SWIJFQCDKVOBHS-INIZCTEOSA-N 2 0 306.413 3.638 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449526156 1028755683 /nfs/dbraw/zinc/75/56/83/1028755683.db2.gz CVRDBJQYLFLMOE-VKAVYKQESA-N 2 0 318.505 3.946 20 0 DHADRP CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CCCn1ccnc1 ZINC000528775720 1028798733 /nfs/dbraw/zinc/79/87/33/1028798733.db2.gz QOFNVZATZOHKCH-QGZVFWFLSA-N 2 0 301.409 3.680 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000567052537 1028828227 /nfs/dbraw/zinc/82/82/27/1028828227.db2.gz BOHXFXWCRUPZBG-UHFFFAOYSA-N 2 0 307.507 3.752 20 0 DHADRP c1ccc2c(c1)CCC([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC000449582775 1028828330 /nfs/dbraw/zinc/82/83/30/1028828330.db2.gz AOTDHMGMLYTXCH-UHFFFAOYSA-N 2 0 312.501 3.931 20 0 DHADRP C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000372688771 1028886586 /nfs/dbraw/zinc/88/65/86/1028886586.db2.gz ICKBJTXVUUOTCG-LBVWLFBPSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H](CC[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000373203537 1028973850 /nfs/dbraw/zinc/97/38/50/1028973850.db2.gz GEOUJCXLWMNEQT-QMMLZNLJSA-N 2 0 323.484 3.858 20 0 DHADRP Fc1ccc([C@@H]2CCC[N@H+](CCCn3ccnc3)CC2)cc1 ZINC000373202132 1028974217 /nfs/dbraw/zinc/97/42/17/1028974217.db2.gz LCQYLGSZQDRLOK-MRXNPFEDSA-N 2 0 301.409 3.682 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449756588 1028977514 /nfs/dbraw/zinc/97/75/14/1028977514.db2.gz BMFGVTVYEYFVDG-OJAHFUOMSA-N 2 0 322.537 3.967 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925496780 1029009463 /nfs/dbraw/zinc/00/94/63/1029009463.db2.gz CIJLUQKFFBTKNQ-CEXWTWQISA-N 2 0 316.489 3.650 20 0 DHADRP COCC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411263338 1029082998 /nfs/dbraw/zinc/08/29/98/1029082998.db2.gz JIVREWXFMTZIAU-UHFFFAOYSA-N 2 0 316.489 3.531 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000373642057 1029106022 /nfs/dbraw/zinc/10/60/22/1029106022.db2.gz CSIRTYXIZHGTHX-RDJZCZTQSA-N 2 0 304.453 3.924 20 0 DHADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170861692 1029125117 /nfs/dbraw/zinc/12/51/17/1029125117.db2.gz OKZMZWIGHSSOCO-QRQLOZEOSA-N 2 0 316.489 3.649 20 0 DHADRP CSc1ccc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000373903427 1029164451 /nfs/dbraw/zinc/16/44/51/1029164451.db2.gz KXDCRDXYJHXOAT-UHFFFAOYSA-N 2 0 318.530 3.948 20 0 DHADRP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)C1 ZINC000373911815 1029168705 /nfs/dbraw/zinc/16/87/05/1029168705.db2.gz LNUSTSFMZFLUOK-FYQPLNBISA-N 2 0 322.537 3.514 20 0 DHADRP CO[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000411810123 1029217490 /nfs/dbraw/zinc/21/74/90/1029217490.db2.gz VHNGMYKTWACIQA-PXNSSMCTSA-N 2 0 316.489 3.529 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000569659454 1029242799 /nfs/dbraw/zinc/24/27/99/1029242799.db2.gz BURFENFPMXVMTO-GOSISDBHSA-N 2 0 302.462 3.538 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000817894263 1029269645 /nfs/dbraw/zinc/26/96/45/1029269645.db2.gz LFFNEKSAKNXEJG-CVEARBPZSA-N 2 0 317.521 3.668 20 0 DHADRP CCCCC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817891750 1029269888 /nfs/dbraw/zinc/26/98/88/1029269888.db2.gz GIHJTWSWNNHMFG-VDZJLULYSA-N 2 0 302.462 3.801 20 0 DHADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817894705 1029270140 /nfs/dbraw/zinc/27/01/40/1029270140.db2.gz QAJXOJMYFNFZTL-XUVXKRRUSA-N 2 0 324.468 3.752 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000817894289 1029270787 /nfs/dbraw/zinc/27/07/87/1029270787.db2.gz LFFNEKSAKNXEJG-JKSUJKDBSA-N 2 0 317.521 3.668 20 0 DHADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817905761 1029272573 /nfs/dbraw/zinc/27/25/73/1029272573.db2.gz SUAQWYKSUSKYMN-LTDCPUDJSA-N 2 0 322.468 3.538 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817911613 1029274682 /nfs/dbraw/zinc/27/46/82/1029274682.db2.gz PZRBFGPHNCTSAS-QYWGDWMGSA-N 2 0 324.468 3.816 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCCF ZINC000569874253 1029278156 /nfs/dbraw/zinc/27/81/56/1029278156.db2.gz YEOHBZLKQKYFNV-DZFIZOCASA-N 2 0 306.469 3.872 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1(Cl)Cl ZINC000817936202 1029279432 /nfs/dbraw/zinc/27/94/32/1029279432.db2.gz IHTJVAFURCTNCF-XQLPTFJDSA-N 2 0 319.320 3.861 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000817947654 1029285764 /nfs/dbraw/zinc/28/57/64/1029285764.db2.gz DWYAAJOCFIWCRK-KRWDZBQOSA-N 2 0 316.445 3.654 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000817946767 1029287872 /nfs/dbraw/zinc/28/78/72/1029287872.db2.gz DPUOVOJIJMHMOM-MELADBBJSA-N 2 0 310.869 3.696 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000817943756 1029288322 /nfs/dbraw/zinc/28/83/22/1029288322.db2.gz RWLDIPJSMORFBN-NSHDSACASA-N 2 0 318.433 3.660 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000817946763 1029288790 /nfs/dbraw/zinc/28/87/90/1029288790.db2.gz DPUOVOJIJMHMOM-HZSPNIEDSA-N 2 0 310.869 3.696 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817960646 1029301867 /nfs/dbraw/zinc/30/18/67/1029301867.db2.gz OVZAAFHFNPLQOW-PKFCDNJMSA-N 2 0 316.276 3.744 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000817965386 1029305074 /nfs/dbraw/zinc/30/50/74/1029305074.db2.gz TUGUTKPQHJSSPS-CYBMUJFWSA-N 2 0 310.869 3.697 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(SC(F)F)cc1 ZINC000817967759 1029308377 /nfs/dbraw/zinc/30/83/77/1029308377.db2.gz BNRRZQPHOFGDJF-AAEUAGOBSA-N 2 0 300.418 3.794 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817981722 1029319668 /nfs/dbraw/zinc/31/96/68/1029319668.db2.gz NEEYTFJULQQNLL-GVXVVHGQSA-N 2 0 300.418 3.779 20 0 DHADRP C[C@@H]([NH2+]CC/C=C/c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000629514131 1029352365 /nfs/dbraw/zinc/35/23/65/1029352365.db2.gz KYIDREBZYFTDAV-DMOAUXRXSA-N 2 0 323.278 3.583 20 0 DHADRP C[C@H]([NH2+]CC/C=C\c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000629514137 1029353218 /nfs/dbraw/zinc/35/32/18/1029353218.db2.gz KYIDREBZYFTDAV-UXWJIJGHSA-N 2 0 323.278 3.583 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2c1 ZINC000629546007 1029364336 /nfs/dbraw/zinc/36/43/36/1029364336.db2.gz NWTGNKHRUXBKBQ-IBGZPJMESA-N 2 0 323.484 3.755 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629543787 1029365113 /nfs/dbraw/zinc/36/51/13/1029365113.db2.gz BLONBQVULBRGAC-LLVKDONJSA-N 2 0 311.832 3.610 20 0 DHADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2ccccc2)c2ccccc12 ZINC001170899938 1029367851 /nfs/dbraw/zinc/36/78/51/1029367851.db2.gz NNVHLZUQZANWDY-FQEVSTJZSA-N 2 0 305.425 3.942 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000629551602 1029367962 /nfs/dbraw/zinc/36/79/62/1029367962.db2.gz WERNXZJYPSTNFJ-MGPQQGTHSA-N 2 0 304.400 3.619 20 0 DHADRP CC1=Nc2ccc3cc(N[C@@H]([NH3+])CCC[NH3+])ccc3c2C1(C)C ZINC001170898554 1029368348 /nfs/dbraw/zinc/36/83/48/1029368348.db2.gz DOUUWQIWTKPWBU-QGZVFWFLSA-N 2 0 310.445 3.659 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@H]1C(F)(F)F ZINC000629563053 1029370802 /nfs/dbraw/zinc/37/08/02/1029370802.db2.gz PRBIHXCXOLZOPH-IAGOWNOFSA-N 2 0 322.374 3.799 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000629565335 1029372856 /nfs/dbraw/zinc/37/28/56/1029372856.db2.gz VYXTUTCSNOONOR-HOCLYGCPSA-N 2 0 314.395 3.571 20 0 DHADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCOc1cccc3ccccc31)C2 ZINC000629585335 1029375047 /nfs/dbraw/zinc/37/50/47/1029375047.db2.gz RRKHBHFZESQRFS-OYRHEFFESA-N 2 0 324.468 3.540 20 0 DHADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCOc1ccc3ccccc3c1)C2 ZINC000629585547 1029375771 /nfs/dbraw/zinc/37/57/71/1029375771.db2.gz WGWKNXZUCQGRFO-OYRHEFFESA-N 2 0 324.468 3.540 20 0 DHADRP CC[C@@H]1CCC[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1 ZINC000570536725 1029380652 /nfs/dbraw/zinc/38/06/52/1029380652.db2.gz ULNRLDKRWPSNPC-SFDMMAKQSA-N 2 0 322.537 3.776 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1C[NH+]1CCCCC1 ZINC000818355917 1029383099 /nfs/dbraw/zinc/38/30/99/1029383099.db2.gz LBKGHDOSNVFEKI-BEFAXECRSA-N 2 0 314.473 3.884 20 0 DHADRP Cc1nccn1CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374569853 1029387976 /nfs/dbraw/zinc/38/79/76/1029387976.db2.gz KHVIUIGORSFHPO-AWEZNQCLSA-N 2 0 315.383 3.636 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000629648601 1029403985 /nfs/dbraw/zinc/40/39/85/1029403985.db2.gz RTZFMDRNYNXURA-LJQANCHMSA-N 2 0 308.425 3.532 20 0 DHADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629653349 1029406018 /nfs/dbraw/zinc/40/60/18/1029406018.db2.gz FFERJZYXFOCISD-BFHYXJOUSA-N 2 0 306.416 3.662 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170909658 1029408124 /nfs/dbraw/zinc/40/81/24/1029408124.db2.gz VTENTFWPLQJYPH-KRWDZBQOSA-N 2 0 320.908 3.907 20 0 DHADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629656209 1029409939 /nfs/dbraw/zinc/40/99/39/1029409939.db2.gz NAJXDKPRUJYGHO-HZPDHXFCSA-N 2 0 314.395 3.571 20 0 DHADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910436 1029412579 /nfs/dbraw/zinc/41/25/79/1029412579.db2.gz IQKGZJIKVAPNIS-BZUAXINKSA-N 2 0 306.881 3.660 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529557743 1029413525 /nfs/dbraw/zinc/41/35/25/1029413525.db2.gz OJERHTATTNISDK-GDBMZVCRSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000529555617 1029414772 /nfs/dbraw/zinc/41/47/72/1029414772.db2.gz IBYKWALDPIWOHS-CZUORRHYSA-N 2 0 300.437 3.807 20 0 DHADRP C[NH+](C)CCOc1cccc(-c2cccc([C@H]3CCC[NH2+]3)c2)c1 ZINC000629700777 1029429238 /nfs/dbraw/zinc/42/92/38/1029429238.db2.gz NLNFRIASQOFYGJ-HXUWFJFHSA-N 2 0 310.441 3.719 20 0 DHADRP C[NH2+][C@@H](CO)c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)c1 ZINC000629703124 1029430203 /nfs/dbraw/zinc/43/02/03/1029430203.db2.gz ZZQVAESSGVFTMN-IERDGZPVSA-N 2 0 324.468 3.591 20 0 DHADRP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000629702936 1029430585 /nfs/dbraw/zinc/43/05/85/1029430585.db2.gz XGPDKGOPOCYTGH-INIZCTEOSA-N 2 0 318.424 3.919 20 0 DHADRP C[NH2+][C@H](CO)c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)c1 ZINC000629703125 1029430852 /nfs/dbraw/zinc/43/08/52/1029430852.db2.gz ZZQVAESSGVFTMN-IIBYNOLFSA-N 2 0 324.468 3.591 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000818960352 1029438413 /nfs/dbraw/zinc/43/84/13/1029438413.db2.gz YKNVIZROCQHWOD-MAUKXSAKSA-N 2 0 324.896 3.618 20 0 DHADRP CCCC[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000570980600 1029439868 /nfs/dbraw/zinc/43/98/68/1029439868.db2.gz ZUXMHUMNHJNYGJ-UHFFFAOYSA-N 2 0 312.860 3.876 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000450494515 1029515346 /nfs/dbraw/zinc/51/53/46/1029515346.db2.gz MKIYTGOJYOSHCN-QGZVFWFLSA-N 2 0 320.521 3.722 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450659653 1029600988 /nfs/dbraw/zinc/60/09/88/1029600988.db2.gz QXRXMWVSDNZCBB-INIZCTEOSA-N 2 0 302.453 3.866 20 0 DHADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C2)CC1 ZINC001170941428 1029637380 /nfs/dbraw/zinc/63/73/80/1029637380.db2.gz DSLAADZTCLQASA-INIZCTEOSA-N 2 0 318.892 3.615 20 0 DHADRP C[C@H]([NH2+]CCN(C)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820806395 1029767534 /nfs/dbraw/zinc/76/75/34/1029767534.db2.gz HHRBBNPYQQHMPF-KRWDZBQOSA-N 2 0 311.473 3.535 20 0 DHADRP Cc1nc(C)c(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000820809801 1029769764 /nfs/dbraw/zinc/76/97/64/1029769764.db2.gz ILVVBVNRHSFCHO-CYBMUJFWSA-N 2 0 317.502 3.715 20 0 DHADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820816253 1029770605 /nfs/dbraw/zinc/77/06/05/1029770605.db2.gz ZBEUBBSSIPPZMR-VKJFTORMSA-N 2 0 316.445 3.504 20 0 DHADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820830213 1029777502 /nfs/dbraw/zinc/77/75/02/1029777502.db2.gz PUVOGFGLWNYOLL-KBPBESRZSA-N 2 0 315.461 3.807 20 0 DHADRP Cc1cc(C[NH+](C)C)cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820835440 1029778723 /nfs/dbraw/zinc/77/87/23/1029778723.db2.gz AEKNLVMWDGKTMN-CTXDPNEZSA-N 2 0 313.489 3.626 20 0 DHADRP CC(C)(C)c1csc(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000865579926 1029924685 /nfs/dbraw/zinc/92/46/85/1029924685.db2.gz LCTYJGFWHABZTM-UHFFFAOYSA-N 2 0 309.523 3.796 20 0 DHADRP CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000865599699 1029934018 /nfs/dbraw/zinc/93/40/18/1029934018.db2.gz PXKMXHCYHGZWQN-UHFFFAOYSA-N 2 0 309.413 3.801 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCSC2)CCN1Cc1ccccc1 ZINC000865651760 1029960511 /nfs/dbraw/zinc/96/05/11/1029960511.db2.gz DLPRVSFFSXAHNG-NZSAHSFTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCCC[NH3+] ZINC001246164202 1029963420 /nfs/dbraw/zinc/96/34/20/1029963420.db2.gz MQQDJBSYGJDHFQ-LLVKDONJSA-N 2 0 304.812 3.658 20 0 DHADRP c1ncc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000865718039 1029987540 /nfs/dbraw/zinc/98/75/40/1029987540.db2.gz SHGUVHNSVHBDEN-UHFFFAOYSA-N 2 0 315.486 3.535 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000865764747 1030013903 /nfs/dbraw/zinc/01/39/03/1030013903.db2.gz OEHCHEYVGXJFJM-UHFFFAOYSA-N 2 0 303.475 3.649 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(C)c1O ZINC000290395337 1030031832 /nfs/dbraw/zinc/03/18/32/1030031832.db2.gz OWPSKVVXGNHFSR-AEFFLSMTSA-N 2 0 316.489 3.752 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000530953218 1030100127 /nfs/dbraw/zinc/10/01/27/1030100127.db2.gz VHJDNPSVWYOOSY-QZTJIDSGSA-N 2 0 314.477 3.553 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924524501 1030113450 /nfs/dbraw/zinc/11/34/50/1030113450.db2.gz BOJIAOHGCJEADC-CZUORRHYSA-N 2 0 309.885 3.822 20 0 DHADRP COCc1ccccc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924604672 1030136173 /nfs/dbraw/zinc/13/61/73/1030136173.db2.gz XFBWGNBUIZSJBF-MRXNPFEDSA-N 2 0 312.457 3.745 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687965 1030159929 /nfs/dbraw/zinc/15/99/29/1030159929.db2.gz YBAYZWLQVIXYSO-UXLLHSPISA-N 2 0 319.493 3.708 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1(Br)CC1 ZINC000924686564 1030160271 /nfs/dbraw/zinc/16/02/71/1030160271.db2.gz LWVLVMFHUSWHAH-ZIAGYGMSSA-N 2 0 317.315 3.547 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000924687963 1030160963 /nfs/dbraw/zinc/16/09/63/1030160963.db2.gz YBAYZWLQVIXYSO-INMHGKMJSA-N 2 0 319.493 3.708 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000924704670 1030165926 /nfs/dbraw/zinc/16/59/26/1030165926.db2.gz GTHYCOWOISGLGZ-HZPDHXFCSA-N 2 0 306.519 3.661 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)[C@@H](C)C1 ZINC000245917644 1030195954 /nfs/dbraw/zinc/19/59/54/1030195954.db2.gz FUHOWGYASSIPMY-QFBILLFUSA-N 2 0 309.457 3.569 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866282378 1030203987 /nfs/dbraw/zinc/20/39/87/1030203987.db2.gz NVKPIUKOSHXMSG-GOSISDBHSA-N 2 0 317.521 3.750 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924845934 1030205002 /nfs/dbraw/zinc/20/50/02/1030205002.db2.gz JLYQCMKWIOPVMA-INIZCTEOSA-N 2 0 318.505 3.829 20 0 DHADRP CC1(C)CC2(CC([NH2+]C3CC[NH+](CC4CCCC4)CC3)C2)CO1 ZINC000924856924 1030208738 /nfs/dbraw/zinc/20/87/38/1030208738.db2.gz RHWKNCHWDUJUSG-UHFFFAOYSA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866351724 1030248749 /nfs/dbraw/zinc/24/87/49/1030248749.db2.gz MGLAGOPMBHOBQC-FPOVZHCZSA-N 2 0 323.484 3.890 20 0 DHADRP Clc1cccc2c1CC[C@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001171012564 1030250139 /nfs/dbraw/zinc/25/01/39/1030250139.db2.gz GUTUEFUUBMKYOY-INIZCTEOSA-N 2 0 306.881 3.663 20 0 DHADRP CSCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925095572 1030273123 /nfs/dbraw/zinc/27/31/23/1030273123.db2.gz UZXGJXPBASXRRK-YQQQUEKLSA-N 2 0 318.530 3.915 20 0 DHADRP CC1CCC(O)(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000357997447 1030274001 /nfs/dbraw/zinc/27/40/01/1030274001.db2.gz CZPRYALOZOYNBU-WBFXSEPVSA-N 2 0 322.537 3.514 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000866402289 1030280902 /nfs/dbraw/zinc/28/09/02/1030280902.db2.gz JDSHIMCCVZRAEA-JFIYKMOQSA-N 2 0 310.551 3.762 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000866467553 1030309068 /nfs/dbraw/zinc/30/90/68/1030309068.db2.gz KBAHERXXFZHDSG-INIZCTEOSA-N 2 0 316.489 3.878 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCS1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866480137 1030316608 /nfs/dbraw/zinc/31/66/08/1030316608.db2.gz FNYAPGANZHWKAS-UHOSZYNNSA-N 2 0 318.530 3.772 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000925296408 1030337560 /nfs/dbraw/zinc/33/75/60/1030337560.db2.gz XPYYBVOBAPFMDT-IPELMVKDSA-N 2 0 304.478 3.602 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000866516529 1030341221 /nfs/dbraw/zinc/34/12/21/1030341221.db2.gz BKAWGMHQUCAXTQ-OBONGRFPSA-N 2 0 302.462 3.622 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000925477634 1030372023 /nfs/dbraw/zinc/37/20/23/1030372023.db2.gz FQNNPZQZQWIDQL-RBUKOAKNSA-N 2 0 318.505 3.522 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC001246277123 1030379686 /nfs/dbraw/zinc/37/96/86/1030379686.db2.gz HXIHMUSDRSRROO-VXGBXAGGSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)Oc1ccccc1F ZINC000925523991 1030383451 /nfs/dbraw/zinc/38/34/51/1030383451.db2.gz PQURRPXKKCMRJJ-QAPCUYQASA-N 2 0 316.420 3.663 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000823747566 1030384091 /nfs/dbraw/zinc/38/40/91/1030384091.db2.gz FLWQSTOOKXKKRJ-HGKCTWBKSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cncs1 ZINC000358228404 1030390679 /nfs/dbraw/zinc/39/06/79/1030390679.db2.gz PAKPDIWHOWEGHD-QQFBHYJXSA-N 2 0 307.507 3.837 20 0 DHADRP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925546651 1030396142 /nfs/dbraw/zinc/39/61/42/1030396142.db2.gz LYRCGZGILDDVDB-MOPGFXCFSA-N 2 0 310.441 3.888 20 0 DHADRP C[C@@H]([NH2+][C@@H](Cc1cccnc1)C1CCCC1)C1CC[NH+](C)CC1 ZINC000866607108 1030396232 /nfs/dbraw/zinc/39/62/32/1030396232.db2.gz AEAHAFOHRHHKKI-UZLBHIALSA-N 2 0 315.505 3.503 20 0 DHADRP CCN(C)c1ccccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925557323 1030401192 /nfs/dbraw/zinc/40/11/92/1030401192.db2.gz OGEBLOAKVXHIFF-IBGZPJMESA-N 2 0 311.473 3.713 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cs1 ZINC000925564368 1030403842 /nfs/dbraw/zinc/40/38/42/1030403842.db2.gz HXBFATOVGALVTA-IAGOWNOFSA-N 2 0 321.534 3.567 20 0 DHADRP CCOCCC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000925598813 1030416927 /nfs/dbraw/zinc/41/69/27/1030416927.db2.gz MOTQLJUXXLTCQS-INIZCTEOSA-N 2 0 304.478 3.606 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000866702360 1030428450 /nfs/dbraw/zinc/42/84/50/1030428450.db2.gz BBRIICZEWGSDIE-IBGZPJMESA-N 2 0 313.445 3.539 20 0 DHADRP Cc1csc([C@@H](C)C[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925647739 1030432284 /nfs/dbraw/zinc/43/22/84/1030432284.db2.gz GKFKKDGOIKTDQR-BBRMVZONSA-N 2 0 303.475 3.625 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000925653893 1030440389 /nfs/dbraw/zinc/44/03/89/1030440389.db2.gz BWYVXMJCTQSZDZ-QZTJIDSGSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[C@H](c3cccc(F)c3)C1)[NH2+]2 ZINC000925661778 1030445593 /nfs/dbraw/zinc/44/55/93/1030445593.db2.gz DOPONHMGXWWKFZ-RGRHTKLBSA-N 2 0 302.437 3.580 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000925664362 1030446458 /nfs/dbraw/zinc/44/64/58/1030446458.db2.gz YEOCWKIHPAHSJL-PGOLTUBRSA-N 2 0 302.437 3.567 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925681623 1030450135 /nfs/dbraw/zinc/45/01/35/1030450135.db2.gz WGZXUBYSSIGEMX-PMPSAXMXSA-N 2 0 300.437 3.570 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccccc1 ZINC000925679266 1030450863 /nfs/dbraw/zinc/45/08/63/1030450863.db2.gz IUTHZYQJRJIKLV-FUHWJXTLSA-N 2 0 312.482 3.946 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925711861 1030460863 /nfs/dbraw/zinc/46/08/63/1030460863.db2.gz SXLQJMPPYSBKET-OAHLLOKOSA-N 2 0 304.503 3.581 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1 ZINC000925709845 1030461147 /nfs/dbraw/zinc/46/11/47/1030461147.db2.gz OTWQKPVTAWBPNT-ACRUOGEOSA-N 2 0 324.468 3.629 20 0 DHADRP CCc1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccnc2)cc1 ZINC000925708592 1030461287 /nfs/dbraw/zinc/46/12/87/1030461287.db2.gz MMTWCUXVSSLHKT-OAQYLSRUSA-N 2 0 321.468 3.585 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925716670 1030462998 /nfs/dbraw/zinc/46/29/98/1030462998.db2.gz BPIMBGKRSBJFJK-HUUCEWRRSA-N 2 0 318.427 3.867 20 0 DHADRP COc1ccc(C2CC2)cc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925738156 1030472172 /nfs/dbraw/zinc/47/21/72/1030472172.db2.gz WAXTZPNNWYZJCY-RBUKOAKNSA-N 2 0 308.425 3.807 20 0 DHADRP CCCC[C@H](c1ccccc1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925749669 1030477455 /nfs/dbraw/zinc/47/74/55/1030477455.db2.gz YMLCMEDYCDAOQZ-MRXNPFEDSA-N 2 0 315.486 3.891 20 0 DHADRP CC[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925758631 1030484471 /nfs/dbraw/zinc/48/44/71/1030484471.db2.gz FWZIGDUCZUUOLU-HNNXBMFYSA-N 2 0 312.404 3.942 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786830 1030498292 /nfs/dbraw/zinc/49/82/92/1030498292.db2.gz VOKZGAUDDPNPDM-OAGGEKHMSA-N 2 0 313.489 3.669 20 0 DHADRP CC[C@H]([NH3+])CC[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246309585 1030498369 /nfs/dbraw/zinc/49/83/69/1030498369.db2.gz VLYBOFVAVOMRNI-PWSUYJOCSA-N 2 0 304.812 3.656 20 0 DHADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000558256193 1030500061 /nfs/dbraw/zinc/50/00/61/1030500061.db2.gz IJVTXSVAONYUCZ-AVEIZBFRSA-N 2 0 320.427 3.530 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000558255169 1030500120 /nfs/dbraw/zinc/50/01/20/1030500120.db2.gz NAZLGCUAVJOGCS-UWVAXJGDSA-N 2 0 318.505 3.897 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517142 1030523777 /nfs/dbraw/zinc/52/37/77/1030523777.db2.gz PBVPHQLFIFHKNU-CYBMUJFWSA-N 2 0 312.379 3.842 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000925876901 1030529333 /nfs/dbraw/zinc/52/93/33/1030529333.db2.gz IOOGROCHIFDSMD-INMHGKMJSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000925879318 1030531311 /nfs/dbraw/zinc/53/13/11/1030531311.db2.gz BKFDEUPBRPUNBC-XQQFMLRXSA-N 2 0 319.449 3.727 20 0 DHADRP C[NH+]1CCC2(CC[N@H+](Cc3cc4c(cccc4Cl)[nH]3)C2)CC1 ZINC001136862609 1030531634 /nfs/dbraw/zinc/53/16/34/1030531634.db2.gz SBBYVXBBJSJSPX-UHFFFAOYSA-N 2 0 317.864 3.739 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccsc1 ZINC000925880764 1030532804 /nfs/dbraw/zinc/53/28/04/1030532804.db2.gz BFIVQFLDWHXEML-OKZBNKHCSA-N 2 0 300.471 3.848 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136860960 1030533462 /nfs/dbraw/zinc/53/34/62/1030533462.db2.gz JPXJIHPAXYVKPV-UHFFFAOYSA-N 2 0 305.853 3.595 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000925887711 1030536126 /nfs/dbraw/zinc/53/61/26/1030536126.db2.gz KSRXCOCYILQYKF-XKGZKEIXSA-N 2 0 324.493 3.872 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925888953 1030536867 /nfs/dbraw/zinc/53/68/67/1030536867.db2.gz XEIHVAQVDIIMGQ-BSIFCXSSSA-N 2 0 324.468 3.795 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(OC)cc1 ZINC000925887787 1030537691 /nfs/dbraw/zinc/53/76/91/1030537691.db2.gz MFDKYGCIOFXWQK-SESVDKBCSA-N 2 0 324.468 3.795 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000558404696 1030562416 /nfs/dbraw/zinc/56/24/16/1030562416.db2.gz JCFALGWNHASRIR-LJQANCHMSA-N 2 0 318.530 3.729 20 0 DHADRP C[C@@H](N[C@@H](C)c1cc(O)cc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118680 1030624085 /nfs/dbraw/zinc/62/40/85/1030624085.db2.gz BCFHFTQUQPHOCN-ILXRZTDVSA-N 2 0 320.452 3.835 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000926203632 1030653910 /nfs/dbraw/zinc/65/39/10/1030653910.db2.gz NSSYZKBMBWHOIA-UHFFFAOYSA-N 2 0 318.505 3.514 20 0 DHADRP COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000339084663 1030673322 /nfs/dbraw/zinc/67/33/22/1030673322.db2.gz LNFQYKSSCKYCDZ-QFBILLFUSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000247169527 1030679516 /nfs/dbraw/zinc/67/95/16/1030679516.db2.gz YMEWQOSZNPPPBE-RDJZCZTQSA-N 2 0 304.503 3.934 20 0 DHADRP COc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1SC ZINC000075860084 1030693422 /nfs/dbraw/zinc/69/34/22/1030693422.db2.gz MPOGCSPICNIHSZ-INIZCTEOSA-N 2 0 322.518 3.723 20 0 DHADRP Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926362482 1030713855 /nfs/dbraw/zinc/71/38/55/1030713855.db2.gz XHNANNXWUBDNOU-AWEZNQCLSA-N 2 0 317.864 3.956 20 0 DHADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074149 1030727161 /nfs/dbraw/zinc/72/71/61/1030727161.db2.gz ZUNHIYXDWMTCGV-LBPRGKRZSA-N 2 0 315.288 3.956 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccco1 ZINC000926449341 1030744939 /nfs/dbraw/zinc/74/49/39/1030744939.db2.gz FDLRXZWIQVZDNC-LPHOPBHVSA-N 2 0 321.424 3.742 20 0 DHADRP CC[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000926461130 1030751832 /nfs/dbraw/zinc/75/18/32/1030751832.db2.gz KVSHCXSMWDMOLA-NXEWRWPSSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000248742883 1030763668 /nfs/dbraw/zinc/76/36/68/1030763668.db2.gz AKWRFQIGZPVRGE-LRGNLBRXSA-N 2 0 321.468 3.928 20 0 DHADRP C[C@@H]1CC[C@H](C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)O1 ZINC000249053099 1030786997 /nfs/dbraw/zinc/78/69/97/1030786997.db2.gz IKGQDWYPAVHAIG-KVPLUYHFSA-N 2 0 316.489 3.539 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926571797 1030800786 /nfs/dbraw/zinc/80/07/86/1030800786.db2.gz CMQSFEUPJWISKB-GHTZIAJQSA-N 2 0 323.484 3.801 20 0 DHADRP c1ccc2sc([C@@H]3CCC[N@H+]3CCC3CC[NH2+]CC3)nc2c1 ZINC000359215125 1030841284 /nfs/dbraw/zinc/84/12/84/1030841284.db2.gz QILDLQYNUXXYGX-INIZCTEOSA-N 2 0 315.486 3.823 20 0 DHADRP Cc1ccc(C(F)(F)F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC001143676078 1030899788 /nfs/dbraw/zinc/89/97/88/1030899788.db2.gz GFBZWJLQGZUCAK-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000926792029 1030929373 /nfs/dbraw/zinc/92/93/73/1030929373.db2.gz VROCOPJBWXBJNX-QGZVFWFLSA-N 2 0 321.896 3.822 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)F)cc1 ZINC000161641284 1030929559 /nfs/dbraw/zinc/92/95/59/1030929559.db2.gz ZKCIMVNITLSZST-AEGPPILISA-N 2 0 310.388 3.565 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000926797720 1030934304 /nfs/dbraw/zinc/93/43/04/1030934304.db2.gz PWMDHEKCNYRCOM-AILXTGBUSA-N 2 0 315.505 3.645 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000359410587 1030952709 /nfs/dbraw/zinc/95/27/09/1030952709.db2.gz RFFFFXAXRPKTIC-QAPCUYQASA-N 2 0 302.462 3.537 20 0 DHADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926891014 1030970375 /nfs/dbraw/zinc/97/03/75/1030970375.db2.gz XOFRBHBIUSGRHB-MKCYZYCBSA-N 2 0 310.526 3.703 20 0 DHADRP C[N@H+](CCCCCCC[NH3+])Cc1ccccc1N1CCCC1 ZINC000844220492 1030997343 /nfs/dbraw/zinc/99/73/43/1030997343.db2.gz FONNDKDCMXTUGE-UHFFFAOYSA-N 2 0 303.494 3.628 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccnn1C1CCC1 ZINC000927035991 1031042934 /nfs/dbraw/zinc/04/29/34/1031042934.db2.gz DYWLMEQGAQGSCK-MDCZIUGASA-N 2 0 316.493 3.666 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000927036163 1031044137 /nfs/dbraw/zinc/04/41/37/1031044137.db2.gz FKMXXSHHYVHOAD-CSLYMUCUSA-N 2 0 319.880 3.719 20 0 DHADRP CC(C)C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CCOCC1 ZINC000927036879 1031046175 /nfs/dbraw/zinc/04/61/75/1031046175.db2.gz KETPQBIJJNRKPK-IOJLRTSASA-N 2 0 322.537 3.824 20 0 DHADRP COc1ccccc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038183 1031046727 /nfs/dbraw/zinc/04/67/27/1031046727.db2.gz NKVFGWOMZGMXTG-MDCZIUGASA-N 2 0 302.462 3.753 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038877 1031046770 /nfs/dbraw/zinc/04/67/70/1031046770.db2.gz RMZZMQQKTPQBRQ-VHBXLISGSA-N 2 0 316.489 3.759 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000927036797 1031046810 /nfs/dbraw/zinc/04/68/10/1031046810.db2.gz GDDAFCRBNDDCTA-IPCDKGFNSA-N 2 0 314.473 3.897 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000927036988 1031047155 /nfs/dbraw/zinc/04/71/55/1031047155.db2.gz LEWPEHBBYVGXCR-ZGOJQLDESA-N 2 0 323.484 3.632 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001171116751 1031053968 /nfs/dbraw/zinc/05/39/68/1031053968.db2.gz SBQXGLRYRMHIDC-LJQANCHMSA-N 2 0 318.892 3.758 20 0 DHADRP CC1(C)C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000927099773 1031088370 /nfs/dbraw/zinc/08/83/70/1031088370.db2.gz OZUAPGFQFBNSDT-VXESANQCSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@H](CCc1ccccc1F)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355089 1031192042 /nfs/dbraw/zinc/19/20/42/1031192042.db2.gz HFILKPJUDNHYQK-MRXNPFEDSA-N 2 0 318.480 3.858 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1 ZINC000359925050 1031198467 /nfs/dbraw/zinc/19/84/67/1031198467.db2.gz KKBRRFFBBRLAJZ-OAGGEKHMSA-N 2 0 318.509 3.502 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000360021975 1031243897 /nfs/dbraw/zinc/24/38/97/1031243897.db2.gz GRTVGJGSVMHHQE-YQQAZPJKSA-N 2 0 320.477 3.617 20 0 DHADRP CC[C@@H](C[NH2+][C@H]1CCCOc2cc(C)ccc21)N1CCCC1 ZINC000360079914 1031265942 /nfs/dbraw/zinc/26/59/42/1031265942.db2.gz VAJDGEVCYXYWHU-WMZOPIPTSA-N 2 0 302.462 3.673 20 0 DHADRP CC(C)(C)[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000925299387 1031297849 /nfs/dbraw/zinc/29/78/49/1031297849.db2.gz CDTGBLNPAGDRIE-SFHVURJKSA-N 2 0 301.478 3.712 20 0 DHADRP CC(C)(CNCc1cnc(C2CCC2)s1)C[NH+]1CCCC1 ZINC000360179429 1031309222 /nfs/dbraw/zinc/30/92/22/1031309222.db2.gz AGKGYYOWWLCBNO-UHFFFAOYSA-N 2 0 307.507 3.622 20 0 DHADRP CC[C@@H]1CC[C@H](C)[NH+]1CC1(C[N@H+]2[C@@H](C)CC[C@@H]2CC)COC1 ZINC000360213619 1031326532 /nfs/dbraw/zinc/32/65/32/1031326532.db2.gz QCLGMSLXYVKBMO-XLAORIBOSA-N 2 0 308.510 3.529 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)[C@H](C)C1 ZINC000536660310 1031369383 /nfs/dbraw/zinc/36/93/83/1031369383.db2.gz DVIXDZVFJILFCS-QAPCUYQASA-N 2 0 316.489 3.562 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000844905383 1031388124 /nfs/dbraw/zinc/38/81/24/1031388124.db2.gz YSJJVVNMGLDYCY-UHFFFAOYSA-N 2 0 300.368 3.617 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)[C@H]1CCCOC1 ZINC000872017524 1031398140 /nfs/dbraw/zinc/39/81/40/1031398140.db2.gz BCPHYUQPEGDFDN-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@@]1(F)Cl ZINC000844924147 1031403052 /nfs/dbraw/zinc/40/30/52/1031403052.db2.gz PFLVVQGFCMUWBG-LEOABGAYSA-N 2 0 302.865 3.592 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@@]1(F)Cl ZINC000844924148 1031404437 /nfs/dbraw/zinc/40/44/37/1031404437.db2.gz PFLVVQGFCMUWBG-SUJAAXHWSA-N 2 0 302.865 3.592 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872024247 1031408420 /nfs/dbraw/zinc/40/84/20/1031408420.db2.gz ZQGHCRKWUZSSEQ-MSOLQXFVSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC000872027645 1031412523 /nfs/dbraw/zinc/41/25/23/1031412523.db2.gz FRWBHFAWFJPDES-OALUTQOASA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000360416236 1031418013 /nfs/dbraw/zinc/41/80/13/1031418013.db2.gz FDBPVOFPANQELD-SJORKVTESA-N 2 0 309.457 3.741 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000872035906 1031419201 /nfs/dbraw/zinc/41/92/01/1031419201.db2.gz ZHRVTYWWNYJKRZ-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(F)cc1C ZINC000191486418 1031419283 /nfs/dbraw/zinc/41/92/83/1031419283.db2.gz IONBDGAIQWDAMP-UHFFFAOYSA-N 2 0 303.425 3.805 20 0 DHADRP Fc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1-c1cccs1 ZINC000666855192 1031419632 /nfs/dbraw/zinc/41/96/32/1031419632.db2.gz DKYOKDFRFGXQPY-AWEZNQCLSA-N 2 0 304.434 3.786 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000872041062 1031426057 /nfs/dbraw/zinc/42/60/57/1031426057.db2.gz FYIJTVCIZMNRLB-JEVOJNTISA-N 2 0 322.537 3.967 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000536848012 1031454169 /nfs/dbraw/zinc/45/41/69/1031454169.db2.gz WTSMNXBHUYFXQS-CXHZTBPHSA-N 2 0 324.896 3.816 20 0 DHADRP CC[C@H](CCC(F)(F)F)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000872073643 1031469306 /nfs/dbraw/zinc/46/93/06/1031469306.db2.gz UDCHSCISVBWMCB-GFCCVEGCSA-N 2 0 312.445 3.525 20 0 DHADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cn4cc[nH+]c4cc3C)c2c1 ZINC001171166983 1031493597 /nfs/dbraw/zinc/49/35/97/1031493597.db2.gz FWRMTOMVRNLEEL-OAHLLOKOSA-N 2 0 318.424 3.785 20 0 DHADRP COCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000872105258 1031495755 /nfs/dbraw/zinc/49/57/55/1031495755.db2.gz FEPMFCGICXGAJZ-IEBWSBKVSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc4c3CC[C@H]4[NH3+])c2c1 ZINC001171168025 1031499480 /nfs/dbraw/zinc/49/94/80/1031499480.db2.gz IOURSQJHCUPZLI-AUUYWEPGSA-N 2 0 319.452 3.775 20 0 DHADRP Fc1cccc(Oc2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2)c1 ZINC000666858129 1031523276 /nfs/dbraw/zinc/52/32/76/1031523276.db2.gz YXSIALHLBHQPNJ-KRWDZBQOSA-N 2 0 314.404 3.850 20 0 DHADRP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+](C)CCCCCC[NH3+] ZINC000872155540 1031535697 /nfs/dbraw/zinc/53/56/97/1031535697.db2.gz PGKHYFOAPPLNJX-CYBMUJFWSA-N 2 0 324.419 3.943 20 0 DHADRP Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCCCCC[NH3+] ZINC000872155099 1031535800 /nfs/dbraw/zinc/53/58/00/1031535800.db2.gz LGWOXCODWJIHKV-UHFFFAOYSA-N 2 0 301.434 3.601 20 0 DHADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156012 1031537374 /nfs/dbraw/zinc/53/73/74/1031537374.db2.gz CMRAUTFDYOLULN-WBVHZDCISA-N 2 0 319.493 3.918 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccc3c(c2)CCO3)CC1 ZINC000124126940 1031624975 /nfs/dbraw/zinc/62/49/75/1031624975.db2.gz HUMUYMAUKRRADN-GOSISDBHSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc2ncccc12 ZINC000873014794 1031694192 /nfs/dbraw/zinc/69/41/92/1031694192.db2.gz VULMJWNZLOYGLU-KRWDZBQOSA-N 2 0 311.473 3.979 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000399752380 1031706281 /nfs/dbraw/zinc/70/62/81/1031706281.db2.gz NTILDUYQCOWORG-GHTZIAJQSA-N 2 0 323.484 3.575 20 0 DHADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232902 1031766350 /nfs/dbraw/zinc/76/63/50/1031766350.db2.gz QRMLCXJCQIIGEP-MRXNPFEDSA-N 2 0 321.534 3.744 20 0 DHADRP CC(C)n1nccc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232190 1031767919 /nfs/dbraw/zinc/76/79/19/1031767919.db2.gz MPXWKWHXLQUYOV-VQIMIIECSA-N 2 0 318.509 3.584 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1C ZINC000873235967 1031768149 /nfs/dbraw/zinc/76/81/49/1031768149.db2.gz SAKVFJCJTJWRBZ-INIZCTEOSA-N 2 0 324.468 3.809 20 0 DHADRP COCc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000873231691 1031768252 /nfs/dbraw/zinc/76/82/52/1031768252.db2.gz AENDFPMEFJYNLL-DNVCBOLYSA-N 2 0 320.477 3.546 20 0 DHADRP c1cnc2ccc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)cc2c1 ZINC000873232913 1031768503 /nfs/dbraw/zinc/76/85/03/1031768503.db2.gz RDHBNIHALBBUKF-IBGZPJMESA-N 2 0 309.457 3.637 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000873250076 1031772187 /nfs/dbraw/zinc/77/21/87/1031772187.db2.gz DHYOAHOBILXKLA-CWSCBRNRSA-N 2 0 315.244 3.534 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCSCCC(F)(F)F ZINC000873252963 1031773826 /nfs/dbraw/zinc/77/38/26/1031773826.db2.gz SYPGRPHZAPOWMQ-STQMWFEESA-N 2 0 312.445 3.572 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000873252994 1031774124 /nfs/dbraw/zinc/77/41/24/1031774124.db2.gz XCJNSBOWYUTKHI-JEBQAFNWSA-N 2 0 300.833 3.756 20 0 DHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254225 1031774242 /nfs/dbraw/zinc/77/42/42/1031774242.db2.gz NXKCGZWSWJYAFA-RKVPGOIHSA-N 2 0 310.441 3.750 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000873252474 1031775580 /nfs/dbraw/zinc/77/55/80/1031775580.db2.gz SNHSHLZPDFFRAN-PNPHSEOMSA-N 2 0 318.823 3.895 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257627 1031776898 /nfs/dbraw/zinc/77/68/98/1031776898.db2.gz UNBCPUMUCLPVPN-ULQDDVLXSA-N 2 0 300.471 3.667 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259284 1031777942 /nfs/dbraw/zinc/77/79/42/1031777942.db2.gz BIOGYIXHLQCLLT-VIRABCJISA-N 2 0 308.853 3.530 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000873264573 1031778667 /nfs/dbraw/zinc/77/86/67/1031778667.db2.gz GMLZPDCVKMJEKW-NEPJUHHUSA-N 2 0 316.367 3.624 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000873261510 1031779240 /nfs/dbraw/zinc/77/92/40/1031779240.db2.gz PEUBVSCGCZJRLE-UGQVUOCMSA-N 2 0 322.880 3.838 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000873268643 1031781873 /nfs/dbraw/zinc/78/18/73/1031781873.db2.gz YFGUGAPNYWYCLA-HZSPNIEDSA-N 2 0 317.502 3.766 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)C1CC[NH2+]CC1 ZINC000873269438 1031782337 /nfs/dbraw/zinc/78/23/37/1031782337.db2.gz PYFYCNXAANQUBR-WBMJQRKESA-N 2 0 308.853 3.531 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000873270691 1031783783 /nfs/dbraw/zinc/78/37/83/1031783783.db2.gz ABZSOYLOFIHMMF-AUZPSNTRSA-N 2 0 312.910 3.871 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873273222 1031784165 /nfs/dbraw/zinc/78/41/65/1031784165.db2.gz ZIXANSDTUQRKOA-QWHCGFSZSA-N 2 0 310.869 3.696 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C3CC[NH2+]CC3)oc21 ZINC000873272290 1031784253 /nfs/dbraw/zinc/78/42/53/1031784253.db2.gz QIRXTBFJUVJEOI-KBPBESRZSA-N 2 0 316.445 3.870 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CCCS2 ZINC000873273253 1031785215 /nfs/dbraw/zinc/78/52/15/1031785215.db2.gz ZPFAPKZHNRFVLA-GUYCJALGSA-N 2 0 320.502 3.600 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873290182 1031788911 /nfs/dbraw/zinc/78/89/11/1031788911.db2.gz OQICNKTXNFBFMT-VQIMIIECSA-N 2 0 316.489 3.619 20 0 DHADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1(C)C ZINC000361237179 1031805624 /nfs/dbraw/zinc/80/56/24/1031805624.db2.gz IUHIHEQMANUMHX-QZTJIDSGSA-N 2 0 322.468 3.569 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000561314215 1031817318 /nfs/dbraw/zinc/81/73/18/1031817318.db2.gz FTDAFWMGKKSTSP-HUYLIWGRSA-N 2 0 316.489 3.651 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000294138252 1031827723 /nfs/dbraw/zinc/82/77/23/1031827723.db2.gz HGWZPZQUGFDPOB-INIZCTEOSA-N 2 0 316.489 3.567 20 0 DHADRP C[C@@H]1CC2(CC([NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4C)CC3)C2)CO1 ZINC000897778068 1031829045 /nfs/dbraw/zinc/82/90/45/1031829045.db2.gz DJZBWLIWQXXDSC-LUMCNRMDSA-N 2 0 320.521 3.577 20 0 DHADRP CCCC[N@H+](C[C@H]1C[C@@]12CCOC2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033930 1032017012 /nfs/dbraw/zinc/01/70/12/1032017012.db2.gz MVRASKCYHTYOAV-OXQOHEQNSA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@H+](CC(C)C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533073185 1032043713 /nfs/dbraw/zinc/04/37/13/1032043713.db2.gz HBJJXLDAILSSOE-UHFFFAOYSA-N 2 0 318.509 3.855 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000539204053 1033296401 /nfs/dbraw/zinc/29/64/01/1033296401.db2.gz YOWLCGAKMQIOSO-HNAYVOBHSA-N 2 0 304.453 3.988 20 0 DHADRP C[NH+]1CCC(C2CC[NH+](C3CC(C)(C)OC(C)(C)C3)CC2)CC1 ZINC001172658614 1033309032 /nfs/dbraw/zinc/30/90/32/1033309032.db2.gz WJIPEXDDHQNSSM-UHFFFAOYSA-N 2 0 322.537 3.776 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3nc(C(C)(C)C)cs3)C2)CC1 ZINC000877528482 1033335864 /nfs/dbraw/zinc/33/58/64/1033335864.db2.gz BGRLJAVTLJYYRX-HNNXBMFYSA-N 2 0 321.534 3.604 20 0 DHADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@H]1CCC[NH2+]CC1)CCCC2 ZINC000643522031 1033336938 /nfs/dbraw/zinc/33/69/38/1033336938.db2.gz GQMNIXNAGOLCLC-HKUYNNGSSA-N 2 0 314.473 3.511 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000539382822 1033341210 /nfs/dbraw/zinc/34/12/10/1033341210.db2.gz QSTUZIZGCFRMFX-QUCCMNQESA-N 2 0 300.490 3.673 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c(F)c1 ZINC000643523763 1033360969 /nfs/dbraw/zinc/36/09/69/1033360969.db2.gz PLAVQUMBKBWBEE-NSHDSACASA-N 2 0 304.796 3.933 20 0 DHADRP Cc1ccccc1C1CC([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000477935824 1033374148 /nfs/dbraw/zinc/37/41/48/1033374148.db2.gz WNMIAYWGTAODTP-UHFFFAOYSA-N 2 0 300.490 3.953 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001172846628 1033418628 /nfs/dbraw/zinc/41/86/28/1033418628.db2.gz WJCUBMKCMTYVGY-UONOGXRCSA-N 2 0 312.860 3.732 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CCCSCC2)(c2ccccc2)CC1 ZINC000877718957 1033419969 /nfs/dbraw/zinc/41/99/69/1033419969.db2.gz ZLCPAYJJXGAUPJ-SFHVURJKSA-N 2 0 318.530 3.525 20 0 DHADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711436 1033421189 /nfs/dbraw/zinc/42/11/89/1033421189.db2.gz JBQPYSKNCMDNGP-VPBYIHTHSA-N 2 0 318.442 3.562 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000877711357 1033421721 /nfs/dbraw/zinc/42/17/21/1033421721.db2.gz FMWVEMMPOCZUNM-UHFFFAOYSA-N 2 0 304.478 3.698 20 0 DHADRP CC(C)C[N@@H+](Cc1nc(Cl)cs1)CC1CC[NH+](C)CC1 ZINC000877767488 1033439920 /nfs/dbraw/zinc/43/99/20/1033439920.db2.gz KSQYZYYEBWQQEA-UHFFFAOYSA-N 2 0 315.914 3.596 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001172875857 1033448227 /nfs/dbraw/zinc/44/82/27/1033448227.db2.gz RYXNEYLIUZBKMK-KBPBESRZSA-N 2 0 312.910 3.752 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001172884265 1033458469 /nfs/dbraw/zinc/45/84/69/1033458469.db2.gz ZZNNJZUTQBVCKF-AWEZNQCLSA-N 2 0 324.921 3.848 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)C2CCC2)cc1 ZINC000927065316 1033480878 /nfs/dbraw/zinc/48/08/78/1033480878.db2.gz CROWIRQBXOLUSX-POZUXBRTSA-N 2 0 302.462 3.609 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C2CCC2)cc1 ZINC000927065315 1033481464 /nfs/dbraw/zinc/48/14/64/1033481464.db2.gz CROWIRQBXOLUSX-LSBZLQRGSA-N 2 0 302.462 3.609 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)C2CCC2)cc1 ZINC000927065317 1033481883 /nfs/dbraw/zinc/48/18/83/1033481883.db2.gz CROWIRQBXOLUSX-UCLAIMLFSA-N 2 0 302.462 3.609 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C[C@@](C)(C[NH3+])C1 ZINC001173041964 1033508673 /nfs/dbraw/zinc/50/86/73/1033508673.db2.gz PXQAYZCWDCPRBC-IEBWSBKVSA-N 2 0 322.537 3.859 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C(C)=O)c2ccccc2)CC1 ZINC001173102450 1033540423 /nfs/dbraw/zinc/54/04/23/1033540423.db2.gz YFFCNZIFFGSFBW-ACBHZAAOSA-N 2 0 302.462 3.559 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC001173103335 1033540418 /nfs/dbraw/zinc/54/04/18/1033540418.db2.gz IEXZRUMDGAIEQO-LADRWXRNSA-N 2 0 302.462 3.622 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2)CC1 ZINC001173103356 1033540830 /nfs/dbraw/zinc/54/08/30/1033540830.db2.gz IKVRWGMNRINIRG-ABHNRTSZSA-N 2 0 324.896 3.616 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173103711 1033540838 /nfs/dbraw/zinc/54/08/38/1033540838.db2.gz PTKQXMJBLMHDEB-LMDPOFIKSA-N 3 0 311.558 3.740 20 0 DHADRP CC[NH+](CC)C1CCC(N2C[C@@H](CC[NH3+])c3ccccc32)CC1 ZINC001173102984 1033540959 /nfs/dbraw/zinc/54/09/59/1033540959.db2.gz FMCRMMQYEWHZKD-WWDZGPRUSA-N 2 0 315.505 3.592 20 0 DHADRP CC[NH+](CC)C1CCC(n2cc(CC[NH3+])c3ccccc32)CC1 ZINC001173106578 1033542637 /nfs/dbraw/zinc/54/26/37/1033542637.db2.gz YRMSVUDWFUMBPX-UHFFFAOYSA-N 2 0 313.489 3.968 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](c2ccnc(F)c2)C2CC2)CC1 ZINC001173105759 1033542953 /nfs/dbraw/zinc/54/29/53/1033542953.db2.gz DKGPNDSIWXCIGX-TVPLGVNVSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173106693 1033543399 /nfs/dbraw/zinc/54/33/99/1033543399.db2.gz QDJWJLCGJFZVSR-BIZGZAPZSA-N 3 0 309.542 3.620 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCOc2ccccc2Cl)CC1 ZINC001173105320 1033543683 /nfs/dbraw/zinc/54/36/83/1033543683.db2.gz QHSNDITXHLDDSV-UHFFFAOYSA-N 2 0 324.896 3.961 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCOc2cccc(F)c2)CC1 ZINC001173107870 1033545231 /nfs/dbraw/zinc/54/52/31/1033545231.db2.gz QCPWPSVPQUOKHO-UHFFFAOYSA-N 2 0 322.468 3.837 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC001173107958 1033545461 /nfs/dbraw/zinc/54/54/61/1033545461.db2.gz UOLKJSYIEQBDCF-ACBHZAAOSA-N 2 0 301.478 3.775 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC001173107959 1033546258 /nfs/dbraw/zinc/54/62/58/1033546258.db2.gz UOLKJSYIEQBDCF-CTWPCTMYSA-N 2 0 301.478 3.775 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc(OC)c2F)CC1 ZINC001173107479 1033546282 /nfs/dbraw/zinc/54/62/82/1033546282.db2.gz SZXMEWKJFCWXBB-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cc(OC)ccc2F)CC1 ZINC001173107473 1033546294 /nfs/dbraw/zinc/54/62/94/1033546294.db2.gz STBYEUAJBVLEKJ-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001173113900 1033547228 /nfs/dbraw/zinc/54/72/28/1033547228.db2.gz OEUWDLLPZULJHW-SOAGJPPSSA-N 2 0 322.537 3.921 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)Cc2cccc(OC)c2)CC1 ZINC001173111393 1033547666 /nfs/dbraw/zinc/54/76/66/1033547666.db2.gz DDDQQFJBRMURQC-UHFFFAOYSA-N 2 0 304.478 3.780 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001173111625 1033548549 /nfs/dbraw/zinc/54/85/49/1033548549.db2.gz IPGRGZJTYTVQCU-QLOJAFMTSA-N 2 0 316.489 3.793 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC001173112965 1033549179 /nfs/dbraw/zinc/54/91/79/1033549179.db2.gz FQOACRFGYYFRHN-UHFFFAOYSA-N 2 0 309.885 3.820 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)CC1 ZINC001173115486 1033550429 /nfs/dbraw/zinc/55/04/29/1033550429.db2.gz DCODBVRGAKPEQG-WWDZGPRUSA-N 2 0 320.521 3.863 20 0 DHADRP CCC(CC)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2ncsc2C1 ZINC001173125671 1033558518 /nfs/dbraw/zinc/55/85/18/1033558518.db2.gz HOPATAYTJXGAEC-BPUTZDHNSA-N 2 0 321.534 3.761 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878108220 1033584239 /nfs/dbraw/zinc/58/42/39/1033584239.db2.gz SPDAQJPCGBFXLT-LTFPLMDUSA-N 2 0 320.521 3.530 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173196480 1033587131 /nfs/dbraw/zinc/58/71/31/1033587131.db2.gz PQXVIEBTNPRXLG-UHFFFAOYSA-N 2 0 304.478 3.554 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1C ZINC000878164021 1033602794 /nfs/dbraw/zinc/60/27/94/1033602794.db2.gz ZCFBTKYFTKCCSH-GTAWCEEGSA-N 2 0 316.489 3.711 20 0 DHADRP CCc1ccc(C[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001173244402 1033616512 /nfs/dbraw/zinc/61/65/12/1033616512.db2.gz VLVIXJMARAAKOB-KRWDZBQOSA-N 2 0 300.490 3.598 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC001173253223 1033624959 /nfs/dbraw/zinc/62/49/59/1033624959.db2.gz REPAZASBCPHLHI-UWVAXJGDSA-N 2 0 302.506 3.888 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC000878258901 1033639018 /nfs/dbraw/zinc/63/90/18/1033639018.db2.gz WYBMLRBTBJIBIX-GTAWCEEGSA-N 2 0 316.489 3.569 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(CC3CC3)CC2)cc1 ZINC001173237344 1033645581 /nfs/dbraw/zinc/64/55/81/1033645581.db2.gz BBSDSVLWAAIUEO-MRXNPFEDSA-N 2 0 300.490 3.773 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(CC3CCC3)C2)cc1 ZINC001173240894 1033647727 /nfs/dbraw/zinc/64/77/27/1033647727.db2.gz KIQSRSRZFSZCEX-UZLBHIALSA-N 2 0 300.490 3.644 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+]CCCC2CC[NH+](C)CC2)cc1 ZINC001173242555 1033650962 /nfs/dbraw/zinc/65/09/62/1033650962.db2.gz WABVUVYJAYXASD-KRWDZBQOSA-N 2 0 302.506 3.892 20 0 DHADRP C[NH+]1CCC2(CCCN(c3nccc4cc(F)ccc43)C2)CC1 ZINC000826040513 1033708774 /nfs/dbraw/zinc/70/87/74/1033708774.db2.gz ZGEBDALHIYIRME-UHFFFAOYSA-N 2 0 313.420 3.686 20 0 DHADRP CCSC[C@H](C)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001173315658 1033711165 /nfs/dbraw/zinc/71/11/65/1033711165.db2.gz RWVOUOMSZDFWAX-YTQUADARSA-N 2 0 318.530 3.582 20 0 DHADRP C[C@@H](CCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])SCC[NH3+] ZINC001173539080 1033758344 /nfs/dbraw/zinc/75/83/44/1033758344.db2.gz KWYOYINCCODWQM-VIFPVBQESA-N 2 0 320.289 3.531 20 0 DHADRP FC(F)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000479455132 1033762888 /nfs/dbraw/zinc/76/28/88/1033762888.db2.gz RDHRXHBIMGXABM-BJWYYQGGSA-N 2 0 320.427 3.817 20 0 DHADRP Fc1cccc(CN(Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000667498906 1033770109 /nfs/dbraw/zinc/77/01/09/1033770109.db2.gz WWLXLDWBNIPNPN-UHFFFAOYSA-N 2 0 322.387 3.571 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCC[NH+](C)C ZINC001173552986 1033770709 /nfs/dbraw/zinc/77/07/09/1033770709.db2.gz ZMAKCIWYOJIOHH-GFCCVEGCSA-N 2 0 303.277 3.856 20 0 DHADRP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1C ZINC000667503666 1033798173 /nfs/dbraw/zinc/79/81/73/1033798173.db2.gz STYKVWLQKXESSF-UHFFFAOYSA-N 2 0 306.413 3.598 20 0 DHADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000479554659 1033813254 /nfs/dbraw/zinc/81/32/54/1033813254.db2.gz MKGUKJDKTAOOMQ-UMGGQSCQSA-N 2 0 300.490 3.923 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)CCO1 ZINC000479595504 1033835392 /nfs/dbraw/zinc/83/53/92/1033835392.db2.gz VDONHDNDTYUDJV-ZWKOTPCHSA-N 2 0 310.526 3.826 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667534903 1033854991 /nfs/dbraw/zinc/85/49/91/1033854991.db2.gz OXCCFYOMWPQTNA-UHFFFAOYSA-N 2 0 317.502 3.849 20 0 DHADRP COC[C@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000173870536 1033887751 /nfs/dbraw/zinc/88/77/51/1033887751.db2.gz MRUODZIJZSXSAH-INIZCTEOSA-N 2 0 312.457 3.540 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCCCC2 ZINC000119052933 1033918391 /nfs/dbraw/zinc/91/83/91/1033918391.db2.gz VXPWAAIJZMNUBT-RTBURBONSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)C1 ZINC000554140046 1033984529 /nfs/dbraw/zinc/98/45/29/1033984529.db2.gz QONXJQXXCLKLIR-QTISTPMNSA-N 2 0 318.427 3.960 20 0 DHADRP CC(C)C[N@@H+](Cc1csc(Cl)n1)CC1CC[NH+](C)CC1 ZINC000879703294 1034091782 /nfs/dbraw/zinc/09/17/82/1034091782.db2.gz HMINLXKJPHLDDI-UHFFFAOYSA-N 2 0 315.914 3.596 20 0 DHADRP CC(C)C[N@H+](CCCCOC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879703812 1034093109 /nfs/dbraw/zinc/09/31/09/1034093109.db2.gz YDUMQUDMGXUPIT-UHFFFAOYSA-N 2 0 312.542 3.882 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000480158017 1034102795 /nfs/dbraw/zinc/10/27/95/1034102795.db2.gz HQOWHXJFJKRXLE-HXUWFJFHSA-N 2 0 324.468 3.794 20 0 DHADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000554347056 1034104899 /nfs/dbraw/zinc/10/48/99/1034104899.db2.gz GCFCJDDIHHAXTK-ZWKOTPCHSA-N 2 0 301.478 3.712 20 0 DHADRP C[C@H](CCCC(F)(F)F)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000480174733 1034114226 /nfs/dbraw/zinc/11/42/26/1034114226.db2.gz BBFBMFWPGZZBEY-RBSFLKMASA-N 2 0 324.431 3.587 20 0 DHADRP FC(F)n1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000863547542 1034126912 /nfs/dbraw/zinc/12/69/12/1034126912.db2.gz PSXFOPAJBXVEFX-UMVBOHGHSA-N 2 0 319.399 3.514 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000554406126 1034130508 /nfs/dbraw/zinc/13/05/08/1034130508.db2.gz NDLDPFNBNWGPFI-ADNDVJRGSA-N 2 0 318.427 3.960 20 0 DHADRP C[NH2+]C[C@H](O)c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)c1 ZINC000863689452 1034176985 /nfs/dbraw/zinc/17/69/85/1034176985.db2.gz AINJXSZCXBZVRK-KKSFZXQISA-N 2 0 324.468 3.591 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000177733327 1034179494 /nfs/dbraw/zinc/17/94/94/1034179494.db2.gz IXSHGJMDFUBCLC-LBPRGKRZSA-N 2 0 303.475 3.672 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000178172571 1034215690 /nfs/dbraw/zinc/21/56/90/1034215690.db2.gz XIWBKQVWSBDFRD-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000178300131 1034226019 /nfs/dbraw/zinc/22/60/19/1034226019.db2.gz RSFWWARMMUTGKA-LLVKDONJSA-N 2 0 321.465 3.811 20 0 DHADRP COCCC[C@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000178488975 1034241992 /nfs/dbraw/zinc/24/19/92/1034241992.db2.gz NXDIIFIBAKGCCO-KURKYZTESA-N 2 0 318.505 3.548 20 0 DHADRP CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924741752 1034253274 /nfs/dbraw/zinc/25/32/74/1034253274.db2.gz OQFDHXOJSUAJLL-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP Cc1ccc(-c2ncc(CN3CC[C@@H](C[NH+](C)C)C3)s2)cc1 ZINC000179639157 1034321898 /nfs/dbraw/zinc/32/18/98/1034321898.db2.gz ULOQYAFZGOJTPP-HNNXBMFYSA-N 2 0 315.486 3.502 20 0 DHADRP COc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000480618780 1034352893 /nfs/dbraw/zinc/35/28/93/1034352893.db2.gz WRVMKXIZNSFUQI-KRWDZBQOSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3([C@H]4CCCCO4)CC3)CC2)C1 ZINC000927161709 1034399421 /nfs/dbraw/zinc/39/94/21/1034399421.db2.gz QZNRSZTYOPXLLW-BHIYHBOVSA-N 2 0 320.521 3.721 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccnc1 ZINC000186142402 1034605227 /nfs/dbraw/zinc/60/52/27/1034605227.db2.gz DAGLARQGTHEEMD-IEBWSBKVSA-N 2 0 303.494 3.880 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCS2 ZINC000186993892 1034677399 /nfs/dbraw/zinc/67/73/99/1034677399.db2.gz YPJWVYPERHYOBY-CRAIPNDOSA-N 2 0 316.514 3.914 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCc3occc32)ccc1F ZINC000192868498 1034820870 /nfs/dbraw/zinc/82/08/70/1034820870.db2.gz PTMAFCHWJSHHLR-KRWDZBQOSA-N 2 0 302.393 3.648 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000481541191 1034872858 /nfs/dbraw/zinc/87/28/58/1034872858.db2.gz AAVWOYRUEGCRMM-LPHOPBHVSA-N 2 0 318.480 3.957 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802091 1034909941 /nfs/dbraw/zinc/90/99/41/1034909941.db2.gz KWFOAPJWUAERGL-CJNGLKHVSA-N 2 0 313.272 3.910 20 0 DHADRP CCCc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000555962930 1034984087 /nfs/dbraw/zinc/98/40/87/1034984087.db2.gz KHHAFUIFIIVACI-OAHLLOKOSA-N 2 0 309.457 3.505 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000481907592 1035034461 /nfs/dbraw/zinc/03/44/61/1035034461.db2.gz JBZNJCYYHLBHGP-WMLDXEAASA-N 2 0 306.881 3.692 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)C[NH+](C)C ZINC000481932961 1035037017 /nfs/dbraw/zinc/03/70/17/1035037017.db2.gz PNZQSAKJTPNSEE-ZDUSSCGKSA-N 2 0 316.411 3.814 20 0 DHADRP C[NH+](C)CCCC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000482237428 1035070767 /nfs/dbraw/zinc/07/07/67/1035070767.db2.gz CIEIUXLXNYBBMN-UHFFFAOYSA-N 2 0 303.277 3.857 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000482250622 1035073423 /nfs/dbraw/zinc/07/34/23/1035073423.db2.gz SLPGTFSUZNURFW-OLZOCXBDSA-N 2 0 315.288 3.998 20 0 DHADRP [NH3+]CCCOCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000629534465 1035124955 /nfs/dbraw/zinc/12/49/55/1035124955.db2.gz ACNZVQJXEVNEAN-QGZVFWFLSA-N 2 0 310.869 3.526 20 0 DHADRP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)C(C)C ZINC000482549929 1035132209 /nfs/dbraw/zinc/13/22/09/1035132209.db2.gz BEGJWDOXLMVXDV-FQEVSTJZSA-N 2 0 318.505 3.679 20 0 DHADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482634752 1035154081 /nfs/dbraw/zinc/15/40/81/1035154081.db2.gz VEDGMHKRPHEVBJ-CABCVRRESA-N 2 0 324.896 3.565 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830172 1035184683 /nfs/dbraw/zinc/18/46/83/1035184683.db2.gz VEWLKZILOCLWHA-CJNGLKHVSA-N 2 0 310.869 3.511 20 0 DHADRP CCN(Cc1nccn1C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161234 1035200102 /nfs/dbraw/zinc/20/01/02/1035200102.db2.gz VWYLEZSJHLGVMG-UHFFFAOYSA-N 2 0 314.477 3.548 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)CC1 ZINC001204169796 1035213285 /nfs/dbraw/zinc/21/32/85/1035213285.db2.gz BOCBBYHPWVUDIK-NRFANRHFSA-N 2 0 314.517 3.981 20 0 DHADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000483188238 1035240064 /nfs/dbraw/zinc/24/00/64/1035240064.db2.gz ARWZAZXLDXPLKR-RDTXWAMCSA-N 2 0 304.478 3.734 20 0 DHADRP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379738000 1035288320 /nfs/dbraw/zinc/28/83/20/1035288320.db2.gz DAJYODSBPDSOPS-DYESRHJHSA-N 2 0 324.443 3.925 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000484500633 1035347481 /nfs/dbraw/zinc/34/74/81/1035347481.db2.gz NZKJLTUWSFVRNP-FCEWJHQRSA-N 2 0 304.478 3.856 20 0 DHADRP CNc1ccc(C)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001177299039 1035361152 /nfs/dbraw/zinc/36/11/52/1035361152.db2.gz JJEAZWLZOZKAJJ-QGZVFWFLSA-N 2 0 303.494 3.638 20 0 DHADRP CCCC[NH+]1CCC([NH2+]Cc2cc(C)c3ncccc3c2)CC1 ZINC001177506211 1035374616 /nfs/dbraw/zinc/37/46/16/1035374616.db2.gz HTSIURZPNZPXQO-UHFFFAOYSA-N 2 0 311.473 3.897 20 0 DHADRP Cc1cc(C[NH2+]CCCCCCC[NH+](C)C)c2c(n1)CCCC2 ZINC001177537756 1035378883 /nfs/dbraw/zinc/37/88/83/1035378883.db2.gz ZARVUEHSQXLYLD-UHFFFAOYSA-N 2 0 317.521 3.871 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC001206305443 1035378988 /nfs/dbraw/zinc/37/89/88/1035378988.db2.gz ZMAWOYCZLBLPRJ-HNNXBMFYSA-N 2 0 301.261 3.944 20 0 DHADRP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001177581216 1035382033 /nfs/dbraw/zinc/38/20/33/1035382033.db2.gz KLJVLMPCLIAVAV-WOJBJXKFSA-N 2 0 322.537 3.968 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC001177586300 1035382735 /nfs/dbraw/zinc/38/27/35/1035382735.db2.gz BAHMNLNVGIKWQU-LJQANCHMSA-N 2 0 318.505 3.661 20 0 DHADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001177646882 1035386562 /nfs/dbraw/zinc/38/65/62/1035386562.db2.gz SSWMTBRWXVHJDF-OAQYLSRUSA-N 2 0 324.468 3.713 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2ccccc2C1)C(C)(C)C ZINC001177822202 1035392041 /nfs/dbraw/zinc/39/20/41/1035392041.db2.gz IFPQUZKMBXGALE-OALUTQOASA-N 2 0 302.506 3.890 20 0 DHADRP CC[C@@H](C)[C@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001177840637 1035395685 /nfs/dbraw/zinc/39/56/85/1035395685.db2.gz VCSDUJIPWUQAPP-YLJYHZDGSA-N 2 0 320.521 3.531 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322702 1035400093 /nfs/dbraw/zinc/40/00/93/1035400093.db2.gz HTADGAZNWNFESA-FMKPAKJESA-N 2 0 315.486 3.849 20 0 DHADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000904341474 1035401361 /nfs/dbraw/zinc/40/13/61/1035401361.db2.gz RTHJVFSHCZSEPT-JMSVASOKSA-N 2 0 300.368 3.826 20 0 DHADRP C[C@H](CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000904359008 1035404925 /nfs/dbraw/zinc/40/49/25/1035404925.db2.gz COAPUHYVMMDYGL-JMSVASOKSA-N 2 0 300.368 3.526 20 0 DHADRP CCOc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2)cc1 ZINC000904368549 1035406628 /nfs/dbraw/zinc/40/66/28/1035406628.db2.gz STUDTFCSVASFRY-CVAIRZPRSA-N 2 0 310.441 3.502 20 0 DHADRP [NH3+]CC1CC([NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000904364249 1035407440 /nfs/dbraw/zinc/40/74/40/1035407440.db2.gz JUCNIJIMPXVBQG-QJLPXFQTSA-N 2 0 323.278 3.617 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)c(F)c1 ZINC000904375581 1035408697 /nfs/dbraw/zinc/40/86/97/1035408697.db2.gz CDALBQQPRFAVOO-UHFFFAOYSA-N 2 0 312.310 3.651 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904384315 1035409994 /nfs/dbraw/zinc/40/99/94/1035409994.db2.gz INWGHZWNHUPVHJ-PXNSSMCTSA-N 2 0 316.489 3.654 20 0 DHADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000904411948 1035411401 /nfs/dbraw/zinc/41/14/01/1035411401.db2.gz YFACHBFBSNZMIX-CYBMUJFWSA-N 2 0 320.383 3.612 20 0 DHADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195133301 1035415496 /nfs/dbraw/zinc/41/54/96/1035415496.db2.gz KARVXEXJAQGFDI-HKUYNNGSSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000467347194 1035421789 /nfs/dbraw/zinc/42/17/89/1035421789.db2.gz ZMWDMEYBOOFABU-XJKCOSOUSA-N 2 0 314.395 3.709 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(SC)cc2)C[C@@H]1C ZINC000484925126 1035423927 /nfs/dbraw/zinc/42/39/27/1035423927.db2.gz YQGFHWNOTJGDSK-JKSUJKDBSA-N 2 0 322.518 3.592 20 0 DHADRP CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178746966 1035445183 /nfs/dbraw/zinc/44/51/83/1035445183.db2.gz IRKYFOVVNLBIJG-MSOLQXFVSA-N 2 0 304.478 3.543 20 0 DHADRP Cc1c(C)c(C)c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(C)c1C ZINC001206361088 1035460673 /nfs/dbraw/zinc/46/06/73/1035460673.db2.gz FZDRIQANBPVQLO-IBGZPJMESA-N 2 0 306.469 3.882 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC001179390278 1035476700 /nfs/dbraw/zinc/47/67/00/1035476700.db2.gz GDVLTCAIAKEKOT-UHFFFAOYSA-N 2 0 316.823 3.971 20 0 DHADRP C[N@H+](CCCc1c(F)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC001179997644 1035559061 /nfs/dbraw/zinc/55/90/61/1035559061.db2.gz RFNHXZICEXHFPW-CQSZACIVSA-N 2 0 312.860 3.685 20 0 DHADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180097426 1035584349 /nfs/dbraw/zinc/58/43/49/1035584349.db2.gz DVVCNKFNLAVAAT-VAMGGRTRSA-N 2 0 300.490 3.986 20 0 DHADRP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC1CC[NH+](CC)CC1)CCC2 ZINC001180076894 1035587581 /nfs/dbraw/zinc/58/75/81/1035587581.db2.gz JZZAJSMAOQJBGB-INIZCTEOSA-N 2 0 321.534 3.747 20 0 DHADRP Cc1ncsc1CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193252700 1035596593 /nfs/dbraw/zinc/59/65/93/1035596593.db2.gz ZSBZWDLZSRSEOA-ZBFHGGJFSA-N 2 0 321.534 3.627 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190956573 1035647313 /nfs/dbraw/zinc/64/73/13/1035647313.db2.gz LEYWTOWFFDHSGE-IBGZPJMESA-N 2 0 316.489 3.685 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191266670 1035673880 /nfs/dbraw/zinc/67/38/80/1035673880.db2.gz ASMJXWNBHJHEEA-OAHLLOKOSA-N 2 0 306.498 3.545 20 0 DHADRP COc1ccc([C@H](C)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000539406779 1035719505 /nfs/dbraw/zinc/71/95/05/1035719505.db2.gz DLDAEPASCPLYNS-SJLPKXTDSA-N 2 0 304.478 3.605 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC001180635431 1035736834 /nfs/dbraw/zinc/73/68/34/1035736834.db2.gz ZVNHKWJCLNVXFE-YZGWKJHDSA-N 2 0 322.537 3.968 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C12CCCCC2 ZINC000539497469 1035754567 /nfs/dbraw/zinc/75/45/67/1035754567.db2.gz XLCYPFDXRHFICT-IPMKNSEASA-N 2 0 322.537 3.824 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)CC1 ZINC001180839797 1035766738 /nfs/dbraw/zinc/76/67/38/1035766738.db2.gz ZTZSTYJRWVRESE-OXQOHEQNSA-N 2 0 316.489 3.810 20 0 DHADRP C[C@@H](C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)[NH+](C)C ZINC001180863131 1035774480 /nfs/dbraw/zinc/77/44/80/1035774480.db2.gz FXAWDQUDAHWZTL-ZDUSSCGKSA-N 2 0 302.443 3.522 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000539547270 1035775002 /nfs/dbraw/zinc/77/50/02/1035775002.db2.gz PVQUPODIVYAKJZ-UHFFFAOYSA-N 2 0 316.445 3.906 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](C/C=C/c3cccc(F)c3)C2)CC1 ZINC001181244453 1035868573 /nfs/dbraw/zinc/86/85/73/1035868573.db2.gz SZXUPHBIJNPWGG-ZZXKWVIFSA-N 2 0 302.437 3.647 20 0 DHADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC001181458273 1035916978 /nfs/dbraw/zinc/91/69/78/1035916978.db2.gz UPZLWSYMXJVUPB-OALUTQOASA-N 2 0 318.530 3.902 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(C)(C)C)[C@H](C)C1 ZINC000540175877 1035995005 /nfs/dbraw/zinc/99/50/05/1035995005.db2.gz ZNHROEHVFIDITE-AEFFLSMTSA-N 2 0 318.505 3.683 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC[NH+]2CCCC2)CC1)CC(C)C ZINC000540197451 1036013370 /nfs/dbraw/zinc/01/33/70/1036013370.db2.gz QCCFHYMVMVMUAA-UHFFFAOYSA-N 3 0 323.569 3.552 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000668586559 1036129512 /nfs/dbraw/zinc/12/95/12/1036129512.db2.gz DYZSVLSDZJEOKC-WMZOPIPTSA-N 2 0 316.489 3.710 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001168474714 1036153810 /nfs/dbraw/zinc/15/38/10/1036153810.db2.gz ULHWDSQKJVBINR-MRXNPFEDSA-N 2 0 312.432 3.707 20 0 DHADRP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)C2 ZINC000541059059 1036226445 /nfs/dbraw/zinc/22/64/45/1036226445.db2.gz BTZYSPIOPHYCHW-MOPGFXCFSA-N 2 0 312.501 3.599 20 0 DHADRP CCOc1c(Cl)cccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000495166990 1036309293 /nfs/dbraw/zinc/30/92/93/1036309293.db2.gz YFEGUEQOUFYQDQ-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP CCCC[N@H+](CCC[NH+](CC)CC)[C@H]1CCc2ncsc2C1 ZINC001195778290 1036345181 /nfs/dbraw/zinc/34/51/81/1036345181.db2.gz RJGSFDBNFJOIFG-INIZCTEOSA-N 2 0 323.550 3.834 20 0 DHADRP CO[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000659847626 1036351367 /nfs/dbraw/zinc/35/13/67/1036351367.db2.gz YTFPVBWYGGVBAK-LJQANCHMSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000541568641 1036367768 /nfs/dbraw/zinc/36/77/68/1036367768.db2.gz ZQQJQRDFOFVDBZ-QAPCUYQASA-N 2 0 322.518 3.563 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000541590071 1036378917 /nfs/dbraw/zinc/37/89/17/1036378917.db2.gz YHZUMZXRSYNTGB-UYAOXDASSA-N 2 0 300.490 3.816 20 0 DHADRP C[C@@]1(C[NH3+])CCCC[N@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001206540601 1036448943 /nfs/dbraw/zinc/44/89/43/1036448943.db2.gz CKUUYDNKXFVVHY-INIZCTEOSA-N 2 0 314.395 3.699 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000541882371 1036450402 /nfs/dbraw/zinc/45/04/02/1036450402.db2.gz GVXRYHGVIDSZQM-SESVDKBCSA-N 2 0 324.468 3.631 20 0 DHADRP CCC1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000541908958 1036455906 /nfs/dbraw/zinc/45/59/06/1036455906.db2.gz YCOSPXZXGMVZPS-SJLPKXTDSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)C1 ZINC000486952104 1036474668 /nfs/dbraw/zinc/47/46/68/1036474668.db2.gz XFSQTVKSWMSMQW-APWZRJJASA-N 2 0 318.530 3.761 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)C1 ZINC000486935491 1036476950 /nfs/dbraw/zinc/47/69/50/1036476950.db2.gz JHZPNCODPMQCGA-IRXDYDNUSA-N 2 0 318.530 3.761 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC001182902236 1036479261 /nfs/dbraw/zinc/47/92/61/1036479261.db2.gz LACLIZCEBYRNRD-AWEZNQCLSA-N 2 0 312.860 3.733 20 0 DHADRP C(=C/c1ccncc1)\C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000486956468 1036486592 /nfs/dbraw/zinc/48/65/92/1036486592.db2.gz OBHYSKIQTUJZBJ-VOTSOKGWSA-N 2 0 321.468 3.871 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206549619 1036490646 /nfs/dbraw/zinc/49/06/46/1036490646.db2.gz PGBXIWREGBPZRT-IBGZPJMESA-N 2 0 304.478 3.672 20 0 DHADRP C[C@]1([NH3+])CCC[N@H+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001205255728 1036521869 /nfs/dbraw/zinc/52/18/69/1036521869.db2.gz KLXVOFHDCZJIAU-INIZCTEOSA-N 2 0 314.395 3.841 20 0 DHADRP C[C@]1([NH3+])CCC[N@H+](CCCCCOCc2ccccc2)CC1 ZINC001205257867 1036547058 /nfs/dbraw/zinc/54/70/58/1036547058.db2.gz XZUVUEMLMRNZNF-IBGZPJMESA-N 2 0 304.478 3.577 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccccc2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC001183354851 1036570673 /nfs/dbraw/zinc/57/06/73/1036570673.db2.gz HYORDDFHZFGPSQ-VDGAXYAQSA-N 2 0 312.501 3.674 20 0 DHADRP C[NH+]1C[C@]2(C)CN(CCSc3cccc(Cl)c3)C[C@@]2(C)C1 ZINC001196631704 1036581617 /nfs/dbraw/zinc/58/16/17/1036581617.db2.gz HJYYSLXQGAUUTD-IAGOWNOFSA-N 2 0 324.921 3.706 20 0 DHADRP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000495391009 1036601876 /nfs/dbraw/zinc/60/18/76/1036601876.db2.gz KLNHZTVOOOJZAS-XUVXKRRUSA-N 2 0 314.448 3.978 20 0 DHADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001196888785 1036633543 /nfs/dbraw/zinc/63/35/43/1036633543.db2.gz OVOXNGLQRXXSLG-LJCCNALRSA-N 2 0 316.489 3.574 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2OCC)CC1 ZINC000487297476 1036650811 /nfs/dbraw/zinc/65/08/11/1036650811.db2.gz IHQLVYYQQDAYCG-UHFFFAOYSA-N 2 0 324.896 3.950 20 0 DHADRP CC(C)C[N@H+](C[C@H]1CCC2(CCCC2)O1)CC1CC[NH+](C)CC1 ZINC001197194929 1036708021 /nfs/dbraw/zinc/70/80/21/1036708021.db2.gz YHNVMXCAHDUDIG-LJQANCHMSA-N 2 0 322.537 3.778 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629553928 1036947177 /nfs/dbraw/zinc/94/71/77/1036947177.db2.gz DTBINKJOQRQWSJ-HUUCEWRRSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205314554 1036959218 /nfs/dbraw/zinc/95/92/18/1036959218.db2.gz BTLYKHIJTDTDMH-DGCLKSJQSA-N 2 0 318.408 3.715 20 0 DHADRP C[C@@H](C[NH2+]C1CC(c2ccccc2F)C1)C[NH+]1CCCCC1 ZINC000237334865 1037004502 /nfs/dbraw/zinc/00/45/02/1037004502.db2.gz KEQCUPNZVCWRQP-GTPINHCMSA-N 2 0 304.453 3.783 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000237487428 1037011662 /nfs/dbraw/zinc/01/16/62/1037011662.db2.gz VGRKEXBXJUPAJX-OAHLLOKOSA-N 2 0 304.478 3.566 20 0 DHADRP CC[N@H+](C)C[C@H]1CCN(CCc2cc(Cl)ccc2Cl)C1 ZINC000488457997 1037025332 /nfs/dbraw/zinc/02/53/32/1037025332.db2.gz JNJPMPNTBJRYHL-CYBMUJFWSA-N 2 0 315.288 3.810 20 0 DHADRP CC[N@H+](C)C[C@@H]1CCN(CCc2cc(Cl)ccc2Cl)C1 ZINC000488457998 1037027762 /nfs/dbraw/zinc/02/77/62/1037027762.db2.gz JNJPMPNTBJRYHL-ZDUSSCGKSA-N 2 0 315.288 3.810 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000570249167 1037135939 /nfs/dbraw/zinc/13/59/39/1037135939.db2.gz VNPPPAAJNQLRLM-RLLQIKCJSA-N 2 0 300.490 3.817 20 0 DHADRP CC(C)C1CC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309795949 1037183210 /nfs/dbraw/zinc/18/32/10/1037183210.db2.gz QDRCIFRXFBWHKM-YUKKFIBKSA-N 2 0 300.490 3.921 20 0 DHADRP CC[C@H]1C[C@H](C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001199045516 1037188409 /nfs/dbraw/zinc/18/84/09/1037188409.db2.gz IGQDXNMLNVKTHU-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP FCCCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309983925 1037200283 /nfs/dbraw/zinc/20/02/83/1037200283.db2.gz WLDDBIOBTUKLHL-MOPGFXCFSA-N 2 0 304.453 3.580 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc3c2CCC3)C1 ZINC001199344495 1037240668 /nfs/dbraw/zinc/24/06/68/1037240668.db2.gz JWKKBPKOODYZSM-KRWDZBQOSA-N 2 0 300.490 3.777 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3scnc3c2)C1 ZINC001199344818 1037241469 /nfs/dbraw/zinc/24/14/69/1037241469.db2.gz KPNUVZRGDPHRCD-OAHLLOKOSA-N 2 0 317.502 3.898 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000322854243 1037253128 /nfs/dbraw/zinc/25/31/28/1037253128.db2.gz QXMLWHCEYAMXQO-SPYBWZPUSA-N 2 0 309.457 3.762 20 0 DHADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001199385004 1037254001 /nfs/dbraw/zinc/25/40/01/1037254001.db2.gz YMTPEECMWHIHLD-XLIONFOSSA-N 2 0 316.489 3.709 20 0 DHADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001199699859 1037322869 /nfs/dbraw/zinc/32/28/69/1037322869.db2.gz ABRCLXLQONUPAN-BBRMVZONSA-N 2 0 301.409 3.926 20 0 DHADRP COCC1CCC([NH2+]CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001199761344 1037330239 /nfs/dbraw/zinc/33/02/39/1037330239.db2.gz XYOILANBMCMURU-VYMRPNJYSA-N 2 0 310.526 3.538 20 0 DHADRP COCC1CCC([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001199761340 1037330509 /nfs/dbraw/zinc/33/05/09/1037330509.db2.gz XYOILANBMCMURU-MRLCAUJQSA-N 2 0 310.526 3.538 20 0 DHADRP Cn1c(C[NH2+]CCCCCCC[NH+](C)C)cc2ccccc21 ZINC001199830061 1037345799 /nfs/dbraw/zinc/34/57/99/1037345799.db2.gz BKTMZOTYFFMOKD-UHFFFAOYSA-N 2 0 301.478 3.780 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000105454936 1037408345 /nfs/dbraw/zinc/40/83/45/1037408345.db2.gz CGYGDWJNJWRVCR-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CCCc1csc(CNCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000494045898 1037629051 /nfs/dbraw/zinc/62/90/51/1037629051.db2.gz CSDYXJSWHWXCEP-UHFFFAOYSA-N 2 0 321.465 3.586 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000924851080 1037634548 /nfs/dbraw/zinc/63/45/48/1037634548.db2.gz BNRNDMCYOOGGJQ-QUCCMNQESA-N 2 0 323.484 3.514 20 0 DHADRP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C[C@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201428634 1037669176 /nfs/dbraw/zinc/66/91/76/1037669176.db2.gz RGZHNXXHQVSZNT-TYPHKJRUSA-N 2 0 310.485 3.797 20 0 DHADRP CCCCO[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000776167345 1037669326 /nfs/dbraw/zinc/66/93/26/1037669326.db2.gz BMCQQEXGNLFNQH-FOIPXRHGSA-N 2 0 310.526 3.680 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000183058647 1037684129 /nfs/dbraw/zinc/68/41/29/1037684129.db2.gz RRRVSUUGQGGRFF-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201572572 1037785602 /nfs/dbraw/zinc/78/56/02/1037785602.db2.gz PGCWOOBSBYBIAP-QGZVFWFLSA-N 2 0 310.526 3.778 20 0 DHADRP CC(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201631727 1037799046 /nfs/dbraw/zinc/79/90/46/1037799046.db2.gz ZHYCCFFFYAAROY-UXHICEINSA-N 2 0 300.490 3.877 20 0 DHADRP CC(C)n1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC001201607515 1037809994 /nfs/dbraw/zinc/80/99/94/1037809994.db2.gz FJNXXXWRVHGKNC-UHFFFAOYSA-N 2 0 318.509 3.597 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3csc4ccccc34)cc[nH+]2)CC1 ZINC001201651602 1037835969 /nfs/dbraw/zinc/83/59/69/1037835969.db2.gz XEYKGCYHUSPJIF-UHFFFAOYSA-N 2 0 324.453 3.792 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3ccc4ccccc4c3)cc[nH+]2)CC1 ZINC001201665419 1037840721 /nfs/dbraw/zinc/84/07/21/1037840721.db2.gz FWOSNZDLRIFPCY-UHFFFAOYSA-N 2 0 318.424 3.730 20 0 DHADRP CCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001201706172 1037849702 /nfs/dbraw/zinc/84/97/02/1037849702.db2.gz LCZHJAWULRSKGQ-INIZCTEOSA-N 2 0 322.518 3.604 20 0 DHADRP CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201751010 1037874500 /nfs/dbraw/zinc/87/45/00/1037874500.db2.gz RKJNSQDNMVEBGC-HOTGVXAUSA-N 2 0 307.507 3.620 20 0 DHADRP C[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)C ZINC001202017626 1037968632 /nfs/dbraw/zinc/96/86/32/1037968632.db2.gz GFRBKBSJHVELON-OAHLLOKOSA-N 2 0 300.450 3.819 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125954516 1037991991 /nfs/dbraw/zinc/99/19/91/1037991991.db2.gz QMKLBTVAWSDDAK-OXQOHEQNSA-N 2 0 316.489 3.783 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125984114 1038009453 /nfs/dbraw/zinc/00/94/53/1038009453.db2.gz OYYQJCIPPATWIS-IAGOWNOFSA-N 2 0 304.478 3.856 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125984353 1038011197 /nfs/dbraw/zinc/01/11/97/1038011197.db2.gz OYYQJCIPPATWIS-DLBZAZTESA-N 2 0 304.478 3.856 20 0 DHADRP Cc1ccc(-c2noc([C@@H](N)CCCC[NH2+]C(C)C)n2)c(C)c1 ZINC001212144839 1038035844 /nfs/dbraw/zinc/03/58/44/1038035844.db2.gz FSHTVSQJKPHKIH-INIZCTEOSA-N 2 0 316.449 3.522 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494456735 1038105907 /nfs/dbraw/zinc/10/59/07/1038105907.db2.gz YBONHWOZUKALCD-FGTMMUONSA-N 2 0 322.880 3.634 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494456737 1038107994 /nfs/dbraw/zinc/10/79/94/1038107994.db2.gz YBONHWOZUKALCD-KZNAEPCWSA-N 2 0 322.880 3.634 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000917069204 1038166511 /nfs/dbraw/zinc/16/65/11/1038166511.db2.gz MCLHXOMVTFVQMY-UHFFFAOYSA-N 2 0 318.505 3.818 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000572111554 1038336405 /nfs/dbraw/zinc/33/64/05/1038336405.db2.gz CVBBDTCIRFSHRR-QKYXUNIQSA-N 2 0 309.457 3.917 20 0 DHADRP C[N@@H+](Cc1cc2ccccc2nc1Cl)CC1CC[NH+](C)CC1 ZINC000077563592 1038349136 /nfs/dbraw/zinc/34/91/36/1038349136.db2.gz GNWOMQGCHWSXDX-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP CC[C@H](C)[N@@H+](CCc1ccccc1F)CC[C@H]1CCC[NH+]1C ZINC001190626747 1038359240 /nfs/dbraw/zinc/35/92/40/1038359240.db2.gz CEUJTKGXKNUERE-FUHWJXTLSA-N 2 0 306.469 3.953 20 0 DHADRP CSC1(C[NH2+][C@@H](C)C[C@@H](C)CC(C)C)CC[NH+](C)CC1 ZINC000589349456 1038467529 /nfs/dbraw/zinc/46/75/29/1038467529.db2.gz BGRGOJMJEPOQOA-HOTGVXAUSA-N 2 0 300.556 3.864 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205604012 1038683167 /nfs/dbraw/zinc/68/31/67/1038683167.db2.gz UDOUZTQHVCPAEO-YPMHNXCESA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205604677 1038693577 /nfs/dbraw/zinc/69/35/77/1038693577.db2.gz VZEXHDTXZHHKRF-TZMCWYRMSA-N 2 0 315.288 3.843 20 0 DHADRP Cc1ncsc1CCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001192917561 1038713369 /nfs/dbraw/zinc/71/33/69/1038713369.db2.gz DKKODADFVQVXKK-UHFFFAOYSA-N 2 0 317.502 3.578 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000573036777 1038737428 /nfs/dbraw/zinc/73/74/28/1038737428.db2.gz XOZPLFYGXIOENM-IFXJQAMLSA-N 2 0 304.453 3.771 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000574182047 1039416151 /nfs/dbraw/zinc/41/61/51/1039416151.db2.gz VGMMHQVOXNFEDT-SJLPKXTDSA-N 2 0 324.534 3.926 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168419374 1039554244 /nfs/dbraw/zinc/55/42/44/1039554244.db2.gz BFRRDOMKIYPESG-SLFFLAALSA-N 2 0 318.480 3.926 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168421152 1039777803 /nfs/dbraw/zinc/77/78/03/1039777803.db2.gz ORFWNLQJGZKTPI-HNAYVOBHSA-N 2 0 304.453 3.524 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168404681 1039800670 /nfs/dbraw/zinc/80/06/70/1039800670.db2.gz NBNYXHNJMJAOEN-QGZVFWFLSA-N 2 0 304.453 3.663 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000574772048 1039936938 /nfs/dbraw/zinc/93/69/38/1039936938.db2.gz XFWIRZAYQDRYCG-ZIAGYGMSSA-N 2 0 301.261 3.786 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc2c(s1)CCCC2 ZINC000575060339 1040120406 /nfs/dbraw/zinc/12/04/06/1040120406.db2.gz JXYXOAUEMHEMRE-ZDUSSCGKSA-N 2 0 300.471 3.936 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCSCc1ccccc1)C2 ZINC000595504576 1040154352 /nfs/dbraw/zinc/15/43/52/1040154352.db2.gz JYKRAXAXMKAWAN-LJQANCHMSA-N 2 0 318.530 3.728 20 0 DHADRP Cc1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000607732776 1040237916 /nfs/dbraw/zinc/23/79/16/1040237916.db2.gz GTSAOGQFVTXPEV-OAQYLSRUSA-N 2 0 314.517 3.981 20 0 DHADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356327 1040624943 /nfs/dbraw/zinc/62/49/43/1040624943.db2.gz NKKKTZVBQHOLJG-ZDUSSCGKSA-N 2 0 306.416 3.819 20 0 DHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)C2 ZINC000658356355 1040627095 /nfs/dbraw/zinc/62/70/95/1040627095.db2.gz NMFLUBKAXOZZSE-IBGZPJMESA-N 2 0 318.892 3.519 20 0 DHADRP CCSCC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000597227672 1040692759 /nfs/dbraw/zinc/69/27/59/1040692759.db2.gz AHJLGLXKFQEJNG-GOSISDBHSA-N 2 0 318.530 3.631 20 0 DHADRP CCCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000534332270 1040808990 /nfs/dbraw/zinc/80/89/90/1040808990.db2.gz HWKYVBWOZYKVEM-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152378587 335035597 /nfs/dbraw/zinc/03/55/97/335035597.db2.gz PSPYQIAITBIXAY-TYILLQQXSA-N 2 0 302.437 3.523 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000272309272 130018801 /nfs/dbraw/zinc/01/88/01/130018801.db2.gz FQTLEYBTVKICBB-DNVCBOLYSA-N 2 0 302.437 3.693 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272547763 130041221 /nfs/dbraw/zinc/04/12/21/130041221.db2.gz QYKRXSKBXZCSCH-IBGZPJMESA-N 2 0 300.421 3.613 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273348132 130109964 /nfs/dbraw/zinc/10/99/64/130109964.db2.gz AKRVSXGSUMTYBP-OALUTQOASA-N 2 0 320.452 3.508 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274419163 130234244 /nfs/dbraw/zinc/23/42/44/130234244.db2.gz TWMXLHHSTSIGGM-WSTZPKSXSA-N 2 0 323.484 3.951 20 0 DHADRP CCC[NH+](CCC)CCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000275843474 130397002 /nfs/dbraw/zinc/39/70/02/130397002.db2.gz JOYFLCKNQQHRPR-SFHVURJKSA-N 2 0 314.477 3.601 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278491997 130696409 /nfs/dbraw/zinc/69/64/09/130696409.db2.gz PSRULDRNCVETRR-HOTGVXAUSA-N 2 0 316.489 3.651 20 0 DHADRP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000278542677 130700055 /nfs/dbraw/zinc/70/00/55/130700055.db2.gz VBCAPYBVRWONCK-IBGZPJMESA-N 2 0 302.437 3.741 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)c1 ZINC000340195282 131133193 /nfs/dbraw/zinc/13/31/93/131133193.db2.gz DFTZUEXMXUGHBQ-QFBILLFUSA-N 2 0 304.478 3.574 20 0 DHADRP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000285853111 131206421 /nfs/dbraw/zinc/20/64/21/131206421.db2.gz XYJRYRZEUJZFNA-KSZLIROESA-N 2 0 303.494 3.799 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000286136319 131221532 /nfs/dbraw/zinc/22/15/32/131221532.db2.gz OSEANBCUFIPFBD-SOAGJPPSSA-N 2 0 316.489 3.588 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000287473841 131282288 /nfs/dbraw/zinc/28/22/88/131282288.db2.gz WOVGOESUKFFSRP-QKLQHJQFSA-N 2 0 309.457 3.704 20 0 DHADRP CCSc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289565187 131396409 /nfs/dbraw/zinc/39/64/09/131396409.db2.gz JEYMFJDEQLNURV-SJPCQFCGSA-N 2 0 304.503 3.856 20 0 DHADRP C[C@@H](c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1)C(F)(F)F ZINC000297523476 132020440 /nfs/dbraw/zinc/02/04/40/132020440.db2.gz OQYCDCKCOPJNKA-ZFWWWQNUSA-N 2 0 314.395 3.736 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cs1 ZINC000297823526 132035430 /nfs/dbraw/zinc/03/54/30/132035430.db2.gz RMKXWUIQWNGAJA-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1F ZINC000340594004 132047185 /nfs/dbraw/zinc/04/71/85/132047185.db2.gz HKLJZYQBBNDGFJ-UHFFFAOYSA-N 2 0 300.421 3.909 20 0 DHADRP CCOc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)ccc1O ZINC000298318058 132055717 /nfs/dbraw/zinc/05/57/17/132055717.db2.gz IFTSVUUIYFUSAD-INIZCTEOSA-N 2 0 320.477 3.535 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1ccnc(N)c1 ZINC000299604520 132113458 /nfs/dbraw/zinc/11/34/58/132113458.db2.gz ISMMYGPJZLQYOO-LBPRGKRZSA-N 2 0 304.463 3.745 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000468549717 335071755 /nfs/dbraw/zinc/07/17/55/335071755.db2.gz WRGDBCBJAZLEFI-JENIJYKNSA-N 2 0 318.505 3.690 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000070188791 331658238 /nfs/dbraw/zinc/65/82/38/331658238.db2.gz QBFKNVHMOCQBQP-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000070188823 331658335 /nfs/dbraw/zinc/65/83/35/331658335.db2.gz BUKUXAZFDOPRRB-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)ccc1F ZINC000317361446 331734875 /nfs/dbraw/zinc/73/48/75/331734875.db2.gz ZPUWKVZGQSWHMO-LSDHHAIUSA-N 2 0 308.441 3.607 20 0 DHADRP Clc1ccc(Cl)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000087761810 331791661 /nfs/dbraw/zinc/79/16/61/331791661.db2.gz HKMQJCCFBDEHIF-MRXNPFEDSA-N 2 0 313.272 3.957 20 0 DHADRP CC(C)COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000518272833 332004261 /nfs/dbraw/zinc/00/42/61/332004261.db2.gz XFMDLTSWWMFHFL-QGZVFWFLSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000584251249 332014041 /nfs/dbraw/zinc/01/40/41/332014041.db2.gz FYNPDZIJZZQLNT-MSOLQXFVSA-N 2 0 321.553 3.636 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000559312524 332023551 /nfs/dbraw/zinc/02/35/51/332023551.db2.gz VTTFDKKVXHSLRZ-GOSISDBHSA-N 2 0 322.880 3.527 20 0 DHADRP CC(C)SCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000409444791 332028947 /nfs/dbraw/zinc/02/89/47/332028947.db2.gz HFWNHWUDZUBYCW-SFHVURJKSA-N 2 0 306.519 3.582 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000409447916 332033210 /nfs/dbraw/zinc/03/32/10/332033210.db2.gz NGQMXYVUUYQMRO-RBUKOAKNSA-N 2 0 320.521 3.532 20 0 DHADRP CN1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000448021963 332187563 /nfs/dbraw/zinc/18/75/63/332187563.db2.gz LTPVIFYMEHYGAH-JXQTWKCFSA-N 2 0 306.416 3.818 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)CC[N@@H+]1C ZINC000426054767 335096742 /nfs/dbraw/zinc/09/67/42/335096742.db2.gz LOYGSHULKWYFBL-HUUCEWRRSA-N 2 0 322.443 3.849 20 0 DHADRP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000559896019 332290784 /nfs/dbraw/zinc/29/07/84/332290784.db2.gz VRGQVPAMHXTRHD-UWVAXJGDSA-N 2 0 316.489 3.759 20 0 DHADRP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000560521318 332349978 /nfs/dbraw/zinc/34/99/78/332349978.db2.gz CUIMHFCVDKJSMB-AQNXPRMDSA-N 2 0 300.490 3.815 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCNc1ccccn1 ZINC000560524702 332351215 /nfs/dbraw/zinc/35/12/15/332351215.db2.gz LHDFXXXSBXELLO-CQSZACIVSA-N 2 0 319.399 3.773 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)[C@H]2CCC[C@@H]21 ZINC000560529502 332352735 /nfs/dbraw/zinc/35/27/35/332352735.db2.gz NOMYMWOUUHYQKN-QYZOEREBSA-N 2 0 316.464 3.710 20 0 DHADRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc1SC ZINC000449526499 332358540 /nfs/dbraw/zinc/35/85/40/332358540.db2.gz DZNKBOLAHGWWBO-UHFFFAOYSA-N 2 0 310.507 3.627 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(F)ccc1F ZINC000564988933 332384568 /nfs/dbraw/zinc/38/45/68/332384568.db2.gz GGASOCXVXODNST-SFHVURJKSA-N 2 0 304.384 3.910 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000560972017 332398101 /nfs/dbraw/zinc/39/81/01/332398101.db2.gz CJWOJHJMWKUQST-FVGKDHOHSA-N 2 0 304.821 3.692 20 0 DHADRP COc1ccc([C@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc2)cc1 ZINC000261810380 332405413 /nfs/dbraw/zinc/40/54/13/332405413.db2.gz VPFJBYABTMIOLY-AFMYVXGZSA-N 2 0 310.441 3.644 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000562017127 332531982 /nfs/dbraw/zinc/53/19/82/332531982.db2.gz VGMHUAGSYZFNNX-DKKFBQAASA-N 2 0 300.490 3.921 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261858162 332568053 /nfs/dbraw/zinc/56/80/53/332568053.db2.gz FMYDCXMFHWCBBX-NEPJUHHUSA-N 2 0 316.367 3.705 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000179464488 333025215 /nfs/dbraw/zinc/02/52/15/333025215.db2.gz ALPBOILWPVNYHM-KRWDZBQOSA-N 2 0 309.457 3.644 20 0 DHADRP CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147388 333027382 /nfs/dbraw/zinc/02/73/82/333027382.db2.gz WLCQRMMQPHMDRE-AYHJJNSGSA-N 2 0 304.503 3.525 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000188124865 333037719 /nfs/dbraw/zinc/03/77/19/333037719.db2.gz YMXASEKHQUIXEX-GDBMZVCRSA-N 2 0 320.502 3.909 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000110644332 333039739 /nfs/dbraw/zinc/03/97/39/333039739.db2.gz HKSWAGSINYNVMG-RYUDHWBXSA-N 2 0 300.368 3.826 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000110644708 333039819 /nfs/dbraw/zinc/03/98/19/333039819.db2.gz WREKELNMOBRGPB-LLVKDONJSA-N 2 0 318.408 3.858 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000462797433 333114054 /nfs/dbraw/zinc/11/40/54/333114054.db2.gz DGUIUALDJVOHFO-YSTOQKLRSA-N 2 0 322.537 3.826 20 0 DHADRP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000366822714 335122260 /nfs/dbraw/zinc/12/22/60/335122260.db2.gz JJCWAUDAYUPLQP-VAMGGRTRSA-N 2 0 315.505 3.852 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183186766 333183630 /nfs/dbraw/zinc/18/36/30/333183630.db2.gz IFDGSNBLKCYBFO-JFIYKMOQSA-N 2 0 316.489 3.999 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000309827027 333201200 /nfs/dbraw/zinc/20/12/00/333201200.db2.gz FDASZIPOSLXFOZ-OALUTQOASA-N 2 0 318.530 3.631 20 0 DHADRP CC[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000319046675 333249500 /nfs/dbraw/zinc/24/95/00/333249500.db2.gz MBSRXKMIMWDIQU-NXEWRWPSSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000319155623 333266798 /nfs/dbraw/zinc/26/67/98/333266798.db2.gz AHRREFBZDOFFHK-CUDHKJQZSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000019993105 333272879 /nfs/dbraw/zinc/27/28/79/333272879.db2.gz DHFRSUWRMNZNCK-ZDUSSCGKSA-N 2 0 300.368 3.842 20 0 DHADRP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000390545952 333296590 /nfs/dbraw/zinc/29/65/90/333296590.db2.gz IMVSWEKEJZXWDL-QGZVFWFLSA-N 2 0 322.443 3.719 20 0 DHADRP CC1(C)CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000319486474 333308296 /nfs/dbraw/zinc/30/82/96/333308296.db2.gz VGUKLHILGDGXTQ-UHFFFAOYSA-N 2 0 301.478 3.856 20 0 DHADRP CCC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000390708854 333317071 /nfs/dbraw/zinc/31/70/71/333317071.db2.gz WBIKTHMBVOWCGU-NXEWRWPSSA-N 2 0 316.489 3.587 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc3ccccc23)C[C@@H]1C ZINC000531378888 333347549 /nfs/dbraw/zinc/34/75/49/333347549.db2.gz LTZVLLHCHRFQBM-WMZOPIPTSA-N 2 0 311.473 3.848 20 0 DHADRP CCOC[C@H](C)[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000537941490 333354123 /nfs/dbraw/zinc/35/41/23/333354123.db2.gz SDEIFIYPUMYDJB-SFHVURJKSA-N 2 0 318.505 3.693 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000193035049 333357307 /nfs/dbraw/zinc/35/73/07/333357307.db2.gz RUBXLORHNTXXOT-YLJYHZDGSA-N 2 0 315.505 3.891 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnc(C3CCCCC3)s2)C1 ZINC000521406077 333370397 /nfs/dbraw/zinc/37/03/97/333370397.db2.gz FSPIZUVETMUTMA-DZGCQCFKSA-N 2 0 307.507 3.798 20 0 DHADRP C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390810407 333394789 /nfs/dbraw/zinc/39/47/89/333394789.db2.gz SPQQBOAPAGHYGM-GHTZIAJQSA-N 2 0 308.469 3.729 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@H]21 ZINC000563139045 333396275 /nfs/dbraw/zinc/39/62/75/333396275.db2.gz XUXHRWWWOJICMA-USXIJHARSA-N 2 0 319.518 3.750 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CC1(OC)CCCC1 ZINC000319944704 333419077 /nfs/dbraw/zinc/41/90/77/333419077.db2.gz UPBREPCLOWDMTJ-UHFFFAOYSA-N 2 0 304.478 3.577 20 0 DHADRP CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411493179 333684279 /nfs/dbraw/zinc/68/42/79/333684279.db2.gz RYZIZNNIPOYVED-IBGZPJMESA-N 2 0 318.505 3.559 20 0 DHADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC1(C)C ZINC000414105371 333897324 /nfs/dbraw/zinc/89/73/24/333897324.db2.gz WCMOMDYULIKSHW-MSOLQXFVSA-N 2 0 301.478 3.712 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)ccc12 ZINC000414186167 333910770 /nfs/dbraw/zinc/91/07/70/333910770.db2.gz PBHWOOMVVWWIIC-SFHVURJKSA-N 2 0 319.408 3.870 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCCO2 ZINC000414163846 333915754 /nfs/dbraw/zinc/91/57/54/333915754.db2.gz GVMMPJGMCIEJTI-LJQANCHMSA-N 2 0 321.424 3.955 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414659578 334059088 /nfs/dbraw/zinc/05/90/88/334059088.db2.gz LERSAIJBESAYAX-CRAIPNDOSA-N 2 0 310.441 3.531 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000414659582 334059599 /nfs/dbraw/zinc/05/95/99/334059599.db2.gz LERSAIJBESAYAX-QAPCUYQASA-N 2 0 310.441 3.531 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+](C)C3CC[NH2+]CC3)cc2)cc1 ZINC000414660674 334060351 /nfs/dbraw/zinc/06/03/51/334060351.db2.gz VZUAQAQORYOQLI-UHFFFAOYSA-N 2 0 324.468 3.758 20 0 DHADRP COc1ccc2cc(C[N@H+](C)C[C@H]3CC[NH2+][C@H](C)C3)ccc2c1 ZINC000414674696 334065373 /nfs/dbraw/zinc/06/53/73/334065373.db2.gz FANMXKPYHNHCBF-WBVHZDCISA-N 2 0 312.457 3.668 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414706071 334071900 /nfs/dbraw/zinc/07/19/00/334071900.db2.gz OITOMMHQESNROF-KYHPRHEASA-N 2 0 304.503 3.553 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414710318 334072896 /nfs/dbraw/zinc/07/28/96/334072896.db2.gz RUXVHNKCJYULNI-KEYYUXOJSA-N 2 0 324.921 3.818 20 0 DHADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCc2cccnc21 ZINC000414756419 334085962 /nfs/dbraw/zinc/08/59/62/334085962.db2.gz QSTFYMCIKUEMLB-JZXOWHBKSA-N 2 0 301.478 3.559 20 0 DHADRP c1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774029 334091203 /nfs/dbraw/zinc/09/12/03/334091203.db2.gz FCVCZCYMSMYOFI-PMACEKPBSA-N 2 0 321.468 3.570 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414778538 334092897 /nfs/dbraw/zinc/09/28/97/334092897.db2.gz IZIXSLIINZNWNA-NHCUHLMSSA-N 2 0 321.468 3.570 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783797 334094406 /nfs/dbraw/zinc/09/44/06/334094406.db2.gz REPJLCKRFJAEJB-JKSUJKDBSA-N 2 0 312.379 3.683 20 0 DHADRP CCn1c2ccccc2c2cc(C[NH2+]C3CC[NH2+]CC3)ccc21 ZINC000414788426 334096578 /nfs/dbraw/zinc/09/65/78/334096578.db2.gz MMNGCBCZSLVSJT-UHFFFAOYSA-N 2 0 307.441 3.656 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000414805008 334104063 /nfs/dbraw/zinc/10/40/63/334104063.db2.gz GBJZYAJBPCJQSP-NSHDSACASA-N 2 0 324.346 3.737 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000414809995 334104796 /nfs/dbraw/zinc/10/47/96/334104796.db2.gz NEPSVPALXBXWLD-LBPRGKRZSA-N 2 0 306.356 3.598 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])s2)cc1 ZINC000414811401 334105882 /nfs/dbraw/zinc/10/58/82/334105882.db2.gz WCJQNIROBOBGMI-NVXWUHKLSA-N 2 0 315.486 3.726 20 0 DHADRP Cc1ccc2cc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)ccc2n1 ZINC000414811125 334105916 /nfs/dbraw/zinc/10/59/16/334105916.db2.gz IZGFKJWOFQJEES-OAHLLOKOSA-N 2 0 305.425 3.853 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414835297 334111333 /nfs/dbraw/zinc/11/13/33/334111333.db2.gz IINCLLHSWIZELJ-KFKAGJAMSA-N 2 0 304.478 3.555 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414835295 334111393 /nfs/dbraw/zinc/11/13/93/334111393.db2.gz IINCLLHSWIZELJ-IPELMVKDSA-N 2 0 304.478 3.555 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414841393 334112869 /nfs/dbraw/zinc/11/28/69/334112869.db2.gz NWTXDSBZKPBTCY-QGZVFWFLSA-N 2 0 324.468 3.842 20 0 DHADRP c1ccc(COc2ccccc2C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414845771 334116170 /nfs/dbraw/zinc/11/61/70/334116170.db2.gz GCGARJSQWKTBSL-GOSISDBHSA-N 2 0 324.468 3.745 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000280346874 334116801 /nfs/dbraw/zinc/11/68/01/334116801.db2.gz SNBXHDDYFSSSOM-VQIMIIECSA-N 2 0 304.453 3.924 20 0 DHADRP c1sc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1-c1ccccc1 ZINC000414847842 334119480 /nfs/dbraw/zinc/11/94/80/334119480.db2.gz JZGKOYSYSQCKTE-OAHLLOKOSA-N 2 0 300.471 3.894 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848888 334121470 /nfs/dbraw/zinc/12/14/70/334121470.db2.gz XOZKTSLQOJWRBO-APHBMKBZSA-N 2 0 314.395 3.787 20 0 DHADRP [NH3+][C@@H](C[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000414895265 334159733 /nfs/dbraw/zinc/15/97/33/334159733.db2.gz WNSYGHCEBJOMDN-SFTDATJTSA-N 2 0 308.469 3.557 20 0 DHADRP CC1(C[NH2+]Cc2ccccc2OCc2ccccc2)CC[NH2+]CC1 ZINC000414899858 334163329 /nfs/dbraw/zinc/16/33/29/334163329.db2.gz GNUPQJFJLTWMQP-UHFFFAOYSA-N 2 0 324.468 3.745 20 0 DHADRP CC1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[NH2+]CC1 ZINC000414900249 334164022 /nfs/dbraw/zinc/16/40/22/334164022.db2.gz ICZROBOIGFADEB-UHFFFAOYSA-N 2 0 305.224 3.612 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414905453 334168565 /nfs/dbraw/zinc/16/85/65/334168565.db2.gz NUZHZZJFVAMQJH-GOSISDBHSA-N 2 0 310.441 3.594 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414905621 334168867 /nfs/dbraw/zinc/16/88/67/334168867.db2.gz LOXNIKUEHDGSEI-CZUORRHYSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H](C[NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414909632 334172026 /nfs/dbraw/zinc/17/20/26/334172026.db2.gz TXLDMKSSQHMHNN-SWLSCSKDSA-N 2 0 300.368 3.541 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)cc2)cc1 ZINC000414939763 334201047 /nfs/dbraw/zinc/20/10/47/334201047.db2.gz JNIICPAFHFAYNH-UWJYYQICSA-N 2 0 324.468 3.662 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944463 334204138 /nfs/dbraw/zinc/20/41/38/334204138.db2.gz GURXLRHHMYJTQN-XJKCOSOUSA-N 2 0 314.395 3.757 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946005 334205182 /nfs/dbraw/zinc/20/51/82/334205182.db2.gz JDOCXQVVKUDOHT-UTUOFQBUSA-N 2 0 301.261 3.655 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946003 334205227 /nfs/dbraw/zinc/20/52/27/334205227.db2.gz JDOCXQVVKUDOHT-GRYCIOLGSA-N 2 0 301.261 3.655 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415083988 334272487 /nfs/dbraw/zinc/27/24/87/334272487.db2.gz ONHJQMFJHDTJRT-RYUDHWBXSA-N 2 0 301.261 3.829 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414951325 334207373 /nfs/dbraw/zinc/20/73/73/334207373.db2.gz PSEVIKLEKHMVCM-NWDGAFQWSA-N 2 0 301.261 3.656 20 0 DHADRP Cc1cc(N)cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000414956548 334209561 /nfs/dbraw/zinc/20/95/61/334209561.db2.gz APLISWAFTUSLNJ-QRWLVFNGSA-N 2 0 315.505 3.710 20 0 DHADRP FC(F)(F)c1ccc(Cl)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414969852 334215858 /nfs/dbraw/zinc/21/58/58/334215858.db2.gz JSMYAWGAAMXTLQ-ZDUSSCGKSA-N 2 0 320.786 3.981 20 0 DHADRP c1ccc2cc(OCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000415082453 334273272 /nfs/dbraw/zinc/27/32/72/334273272.db2.gz LSOFFGAKWSQOMV-PWRODBHTSA-N 2 0 324.468 3.729 20 0 DHADRP c1ccc(OC2CCCC2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414980860 334225565 /nfs/dbraw/zinc/22/55/65/334225565.db2.gz WYTLUKGIWFZGEB-QGZVFWFLSA-N 2 0 302.462 3.630 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+]C[C@H]([NH3+])CC(C)C)s2)cs1 ZINC000415085026 334273895 /nfs/dbraw/zinc/27/38/95/334273895.db2.gz HQKLRLOJHKEBDP-CYBMUJFWSA-N 2 0 323.531 3.686 20 0 DHADRP c1ccc(COc2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000414983437 334227438 /nfs/dbraw/zinc/22/74/38/334227438.db2.gz ZQPFIFMGJBIBRN-FQEVSTJZSA-N 2 0 324.468 3.887 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414999580 334238075 /nfs/dbraw/zinc/23/80/75/334238075.db2.gz JJBVHNCAEQVHIW-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000415003794 334241804 /nfs/dbraw/zinc/24/18/04/334241804.db2.gz XLAIMYWFGFIUPL-LBIIFYCCSA-N 2 0 302.437 3.567 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415006728 334248186 /nfs/dbraw/zinc/24/81/86/334248186.db2.gz QTMMQBGRKOAFKE-XJKCOSOUSA-N 2 0 314.395 3.916 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000415007950 334250476 /nfs/dbraw/zinc/25/04/76/334250476.db2.gz RZNKVCXLNDLMPU-IWKCEXAMSA-N 2 0 304.453 3.687 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000415008315 334250830 /nfs/dbraw/zinc/25/08/30/334250830.db2.gz SIMUUPGTYAUCLT-YQBZFSLMSA-N 2 0 316.489 3.829 20 0 DHADRP CC1(C)CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000415012860 334258362 /nfs/dbraw/zinc/25/83/62/334258362.db2.gz XVIJRAFRWOQMGX-CGTJXYLNSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415014572 334258789 /nfs/dbraw/zinc/25/87/89/334258789.db2.gz MTCMYRRMWROVFB-QWHCGFSZSA-N 2 0 302.384 3.744 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415014544 334258874 /nfs/dbraw/zinc/25/88/74/334258874.db2.gz ZYENVDYCFFSDMT-UZLBHIALSA-N 2 0 324.468 3.969 20 0 DHADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415014868 334258884 /nfs/dbraw/zinc/25/88/84/334258884.db2.gz NHVPUKWELAMCSL-CVEARBPZSA-N 2 0 319.493 3.634 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000415049749 334259037 /nfs/dbraw/zinc/25/90/37/334259037.db2.gz YBIRGVPOAHOYNC-HOCLYGCPSA-N 2 0 314.395 3.745 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)s2)o1 ZINC000415023345 334259683 /nfs/dbraw/zinc/25/96/83/334259683.db2.gz KQMZSGMIUSIAGI-HDJSIYSDSA-N 2 0 319.474 3.566 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415028585 334260064 /nfs/dbraw/zinc/26/00/64/334260064.db2.gz ZAEMXYYCMNLOJH-QWHCGFSZSA-N 2 0 302.384 3.744 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036159 334260447 /nfs/dbraw/zinc/26/04/47/334260447.db2.gz FJYVPLIIOFOSNH-HOCLYGCPSA-N 2 0 312.379 3.669 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)s2)cc1 ZINC000415041497 334261002 /nfs/dbraw/zinc/26/10/02/334261002.db2.gz PYGFEGQWDQXSQY-ZBFHGGJFSA-N 2 0 300.471 3.941 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000415048249 334261496 /nfs/dbraw/zinc/26/14/96/334261496.db2.gz WRKBASRMYAFDTO-XJKSGUPXSA-N 2 0 322.880 3.878 20 0 DHADRP COc1ccccc1C[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415055373 334261618 /nfs/dbraw/zinc/26/16/18/334261618.db2.gz OOZDSDATWACZRO-VQIMIIECSA-N 2 0 312.457 3.696 20 0 DHADRP CSc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415059201 334262030 /nfs/dbraw/zinc/26/20/30/334262030.db2.gz URVPASQOQHVDHK-SFHVURJKSA-N 2 0 300.471 3.978 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000415079056 334270383 /nfs/dbraw/zinc/27/03/83/334270383.db2.gz HKYBOIIPSWWJIS-MSOLQXFVSA-N 2 0 308.469 3.796 20 0 DHADRP c1sc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415089873 334279890 /nfs/dbraw/zinc/27/98/90/334279890.db2.gz YIIFKFVYIKWVDZ-RCCFBDPRSA-N 2 0 314.498 3.954 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415095285 334280947 /nfs/dbraw/zinc/28/09/47/334280947.db2.gz ZISCGSGJUZEBGR-QXAKKESOSA-N 2 0 300.490 3.783 20 0 DHADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000415095057 334280996 /nfs/dbraw/zinc/28/09/96/334280996.db2.gz YSZBBKGNYYKRKX-USXIJHARSA-N 2 0 310.844 3.532 20 0 DHADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000415095054 334281019 /nfs/dbraw/zinc/28/10/19/334281019.db2.gz YSZBBKGNYYKRKX-DJIMGWMZSA-N 2 0 310.844 3.532 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000415098042 334281437 /nfs/dbraw/zinc/28/14/37/334281437.db2.gz DUOLRFBHXNOLMO-CQSZACIVSA-N 2 0 316.470 3.513 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000415102127 334282669 /nfs/dbraw/zinc/28/26/69/334282669.db2.gz JJHLIQXYGZCLKU-ZYRRHWMLSA-N 2 0 308.416 3.579 20 0 DHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000415104513 334282775 /nfs/dbraw/zinc/28/27/75/334282775.db2.gz HAUNGPXLQJSCMJ-RTBURBONSA-N 2 0 308.510 3.565 20 0 DHADRP [NH3+]C1CCC([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000415114851 334283737 /nfs/dbraw/zinc/28/37/37/334283737.db2.gz GHTUULSYPMWVNV-QNGMFEMESA-N 2 0 308.469 3.872 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000531960638 334316657 /nfs/dbraw/zinc/31/66/57/334316657.db2.gz OPRBLQOVUQDSRZ-IEBWSBKVSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1ccc(SCCN2CCC([NH2+]CC3CC3)CC2)cc1C ZINC000430581852 334394966 /nfs/dbraw/zinc/39/49/66/334394966.db2.gz PPRPZSSDIGNOPI-UHFFFAOYSA-N 2 0 318.530 3.860 20 0 DHADRP C[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000341280517 334428439 /nfs/dbraw/zinc/42/84/39/334428439.db2.gz VKKBALIDOXMMJX-WMZOPIPTSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343728556 335187138 /nfs/dbraw/zinc/18/71/38/335187138.db2.gz NIVYOGGULCFFKN-SNVBAGLBSA-N 2 0 321.412 3.544 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000344116842 335218637 /nfs/dbraw/zinc/21/86/37/335218637.db2.gz AXBNHBBNYLIQAH-UHFFFAOYSA-N 2 0 300.450 3.880 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344300306 335238511 /nfs/dbraw/zinc/23/85/11/335238511.db2.gz ULNGQKRXUBACFT-KRWDZBQOSA-N 2 0 320.864 3.714 20 0 DHADRP C([C@@H]1CCC2(CCCCC2)O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000190937554 335295072 /nfs/dbraw/zinc/29/50/72/335295072.db2.gz OSVDUABBXPQYBO-IBGZPJMESA-N 2 0 320.521 3.676 20 0 DHADRP CC[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345195085 335306655 /nfs/dbraw/zinc/30/66/55/335306655.db2.gz YWTBVNRAHSQKCX-OAHLLOKOSA-N 2 0 300.368 3.669 20 0 DHADRP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000346106741 335375083 /nfs/dbraw/zinc/37/50/83/335375083.db2.gz UCPBSFOBVJMBCY-UHFFFAOYSA-N 2 0 315.848 3.756 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000346130523 335379288 /nfs/dbraw/zinc/37/92/88/335379288.db2.gz IVENOOZZNGTOLF-LJQANCHMSA-N 2 0 310.445 3.730 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(Cc1cccs1)C1CC1 ZINC000346135076 335379790 /nfs/dbraw/zinc/37/97/90/335379790.db2.gz GSTXNVRWMIKAKD-UHFFFAOYSA-N 2 0 324.453 3.802 20 0 DHADRP CC[C@H](C)[C@@H](C)[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000346145460 335381294 /nfs/dbraw/zinc/38/12/94/335381294.db2.gz SFJQGNDTMUNEJA-GOEBONIOSA-N 2 0 312.461 3.975 20 0 DHADRP CC[C@H](C)[C@H](C)[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000346145461 335381388 /nfs/dbraw/zinc/38/13/88/335381388.db2.gz SFJQGNDTMUNEJA-HOCLYGCPSA-N 2 0 312.461 3.975 20 0 DHADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc1 ZINC000347232436 335476750 /nfs/dbraw/zinc/47/67/50/335476750.db2.gz MOCTYGRJLYZJNP-OAHLLOKOSA-N 2 0 319.493 3.634 20 0 DHADRP C[C@H]([NH2+]CCC1(F)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000348395678 335583610 /nfs/dbraw/zinc/58/36/10/335583610.db2.gz JLJKAYHGYWAUBD-HNNXBMFYSA-N 2 0 308.441 3.560 20 0 DHADRP C(C[NH+]1CCCC1)OC1CC[NH+](CC2CCCCCC2)CC1 ZINC000353986008 335772981 /nfs/dbraw/zinc/77/29/81/335772981.db2.gz GAMGDLOPNIIQGD-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)C1CCOCC1 ZINC000532201943 335915572 /nfs/dbraw/zinc/91/55/72/335915572.db2.gz UVAHTOSIXTXYDH-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540311 336223353 /nfs/dbraw/zinc/22/33/53/336223353.db2.gz JNVVXRKDDBGELD-INIZCTEOSA-N 2 0 312.379 3.589 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532448514 336247970 /nfs/dbraw/zinc/24/79/70/336247970.db2.gz YYYPRWXMUPHEBL-CKEIUWERSA-N 2 0 308.897 3.936 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000532459426 336248469 /nfs/dbraw/zinc/24/84/69/336248469.db2.gz QRQFVTZRHLTDBQ-LMMKCTJWSA-N 2 0 310.526 3.539 20 0 DHADRP c1ccc(CCN2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)cc1 ZINC000324708261 336249816 /nfs/dbraw/zinc/24/98/16/336249816.db2.gz WBAZRLQIIPJLEX-NRFANRHFSA-N 2 0 312.501 3.862 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352837832 336273171 /nfs/dbraw/zinc/27/31/71/336273171.db2.gz CEABCNRAKTVYEZ-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000514099804 336303769 /nfs/dbraw/zinc/30/37/69/336303769.db2.gz QZBFFSIEOQLVSU-FFGOWVMKSA-N 2 0 316.489 3.617 20 0 DHADRP Cc1nc(C)c(C)c(N2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000301453519 336307747 /nfs/dbraw/zinc/30/77/47/336307747.db2.gz VGWWTVLCEOAGRL-UHFFFAOYSA-N 2 0 321.428 3.662 20 0 DHADRP CCC[NH+]1CCC(Nc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000301697350 336324151 /nfs/dbraw/zinc/32/41/51/336324151.db2.gz ZOGCLQHMBVWMDQ-UHFFFAOYSA-N 2 0 301.409 3.969 20 0 DHADRP CCc1cc(N2CCN(c3cc[nH+]cc3)CC2)c2ccccc2[nH+]1 ZINC000301810249 336331598 /nfs/dbraw/zinc/33/15/98/336331598.db2.gz XQEBUSMOYDCDLT-UHFFFAOYSA-N 2 0 318.424 3.519 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000302107348 336348892 /nfs/dbraw/zinc/34/88/92/336348892.db2.gz AGFJGFPGMCGNOZ-UHFFFAOYSA-N 2 0 309.457 3.855 20 0 DHADRP Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2cc(F)ccc2[nH+]1 ZINC000302703433 336365667 /nfs/dbraw/zinc/36/56/67/336365667.db2.gz BTWDAQMRMBASJW-KBXCAEBGSA-N 2 0 313.420 3.603 20 0 DHADRP Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2cc(F)ccc2[nH+]1 ZINC000302703439 336365682 /nfs/dbraw/zinc/36/56/82/336365682.db2.gz BTWDAQMRMBASJW-RDTXWAMCSA-N 2 0 313.420 3.603 20 0 DHADRP CC[NH+](CC)CCCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000514115546 336367256 /nfs/dbraw/zinc/36/72/56/336367256.db2.gz TYTAQCBPIFUUEH-UHFFFAOYSA-N 2 0 323.569 3.551 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352964488 336379801 /nfs/dbraw/zinc/37/98/01/336379801.db2.gz BODXMDJPCJYMJX-CMKODMSKSA-N 2 0 323.484 3.951 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000563910021 336382915 /nfs/dbraw/zinc/38/29/15/336382915.db2.gz AIWJOFBQBYOXJT-MJGOQNOKSA-N 2 0 310.526 3.636 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000514593197 336385320 /nfs/dbraw/zinc/38/53/20/336385320.db2.gz SRKGBTCWKBGWCO-XVAXZDLZSA-N 2 0 312.501 3.923 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000353596085 336427541 /nfs/dbraw/zinc/42/75/41/336427541.db2.gz PONPZJSWXZCVOO-KPPDAEKUSA-N 2 0 321.412 3.685 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1nc2c(s1)CCCC2 ZINC000353618579 336429191 /nfs/dbraw/zinc/42/91/91/336429191.db2.gz GTFWIDHDEPBKDF-IYXRBSQSSA-N 2 0 307.507 3.545 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC[NH+](C)CC1 ZINC000353623599 336429521 /nfs/dbraw/zinc/42/95/21/336429521.db2.gz BOJBZXLUEVPHSR-WMLDXEAASA-N 2 0 304.503 3.652 20 0 DHADRP CSC1(C[NH2+][C@H]2CCSc3ccccc32)CC[NH+](C)CC1 ZINC000353631208 336430276 /nfs/dbraw/zinc/43/02/76/336430276.db2.gz PIXKBSZFIYKJKX-HNNXBMFYSA-N 2 0 322.543 3.641 20 0 DHADRP Cc1cnc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000357011906 336569927 /nfs/dbraw/zinc/56/99/27/336569927.db2.gz VBMAFOUNVXHCPO-INIZCTEOSA-N 2 0 305.466 3.632 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CC2(COC)CCC2)CC1 ZINC000361355093 336753201 /nfs/dbraw/zinc/75/32/01/336753201.db2.gz MFFGVVSDYNJDME-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000361925213 336778407 /nfs/dbraw/zinc/77/84/07/336778407.db2.gz HXQZOYZXRKKIRQ-ZBFHGGJFSA-N 2 0 324.534 3.634 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000361931629 336778815 /nfs/dbraw/zinc/77/88/15/336778815.db2.gz XJHNONCVIXIWHP-IRXDYDNUSA-N 2 0 312.885 3.738 20 0 DHADRP CSC1(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000368214061 336840363 /nfs/dbraw/zinc/84/03/63/336840363.db2.gz DMIBXQUKWPAIKR-UHFFFAOYSA-N 2 0 324.559 3.835 20 0 DHADRP c1cncc([C@H]2CCC[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000369117868 336858929 /nfs/dbraw/zinc/85/89/29/336858929.db2.gz SFERJHIEGOVHGV-HKUYNNGSSA-N 2 0 313.489 3.572 20 0 DHADRP C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)CC1CCOCC1 ZINC000375598667 337014251 /nfs/dbraw/zinc/01/42/51/337014251.db2.gz QLQYCQHMCQHKGP-AZUAARDMSA-N 2 0 320.521 3.532 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000375783179 337019427 /nfs/dbraw/zinc/01/94/27/337019427.db2.gz QJEJZTYWXCLUPH-SOAGJPPSSA-N 2 0 316.489 3.588 20 0 DHADRP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000377391065 337051731 /nfs/dbraw/zinc/05/17/31/337051731.db2.gz LJPRMYQEZZNQMI-IBGZPJMESA-N 2 0 308.510 3.578 20 0 DHADRP C[N@H+](Cc1ccc(Cl)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377706266 337059249 /nfs/dbraw/zinc/05/92/49/337059249.db2.gz UYQFEVYRTVGDOO-UHFFFAOYSA-N 2 0 321.877 3.897 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000377797141 337061470 /nfs/dbraw/zinc/06/14/70/337061470.db2.gz YRSZEUJYLPMOBH-MOPGFXCFSA-N 2 0 316.489 3.759 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834086 337062042 /nfs/dbraw/zinc/06/20/42/337062042.db2.gz IYJDYHXVXBAHOO-SFTDATJTSA-N 2 0 321.468 3.665 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000377890459 337063565 /nfs/dbraw/zinc/06/35/65/337063565.db2.gz VJSWISJVXNWFRM-OAHLLOKOSA-N 2 0 321.534 3.604 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000378517693 337075007 /nfs/dbraw/zinc/07/50/07/337075007.db2.gz KMUZETPVOMOQNW-POAQFYNOSA-N 2 0 312.457 3.883 20 0 DHADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582472034 337095360 /nfs/dbraw/zinc/09/53/60/337095360.db2.gz XUXITXSXNFJOAP-KSSFIOAISA-N 2 0 311.429 3.557 20 0 DHADRP CC(C)c1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000582526970 337104978 /nfs/dbraw/zinc/10/49/78/337104978.db2.gz YCIIWGPOGGBPFL-UHFFFAOYSA-N 2 0 316.489 3.653 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccoc1 ZINC000178222504 337161511 /nfs/dbraw/zinc/16/15/11/337161511.db2.gz QPNBIWGQAFPSJS-CQSZACIVSA-N 2 0 304.459 3.904 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000180404616 337174147 /nfs/dbraw/zinc/17/41/47/337174147.db2.gz QYWRSWIVKDZKBD-IBGZPJMESA-N 2 0 304.478 3.999 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000180935056 337178667 /nfs/dbraw/zinc/17/86/67/337178667.db2.gz OJZVFAUZVPLRGG-OXJNMPFZSA-N 2 0 309.457 3.884 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CO)cc2)cc1 ZINC000183687645 337192959 /nfs/dbraw/zinc/19/29/59/337192959.db2.gz FNEQQIDSRRZLQX-HNNXBMFYSA-N 2 0 321.424 3.524 20 0 DHADRP ClC(Cl)(Cl)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000184448330 337197374 /nfs/dbraw/zinc/19/73/74/337197374.db2.gz JNEUXPIROLBGJW-UHFFFAOYSA-N 2 0 313.700 3.555 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2[C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000582932602 337215792 /nfs/dbraw/zinc/21/57/92/337215792.db2.gz KODCJMLLUGYMEY-CWJKEVGVSA-N 2 0 312.501 3.913 20 0 DHADRP C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)O1 ZINC000190654774 337289371 /nfs/dbraw/zinc/28/93/71/337289371.db2.gz IKGQDWYPAVHAIG-HNBVOPMISA-N 2 0 316.489 3.539 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398144233 337307166 /nfs/dbraw/zinc/30/71/66/337307166.db2.gz NIWLZNYMUCHYSW-RXVVDRJESA-N 2 0 308.469 3.995 20 0 DHADRP Cc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc(C)c1O ZINC000583328981 337316770 /nfs/dbraw/zinc/31/67/70/337316770.db2.gz QWIKKPWYUFYJGM-UHFFFAOYSA-N 2 0 304.478 3.563 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125116541 337409574 /nfs/dbraw/zinc/40/95/74/337409574.db2.gz NXHFPKDDSUBNLP-QGZVFWFLSA-N 2 0 304.478 3.577 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000125317820 337410955 /nfs/dbraw/zinc/41/09/55/337410955.db2.gz FAHMLBQAEVLYFY-KRWDZBQOSA-N 2 0 322.880 3.875 20 0 DHADRP Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420218162 337497899 /nfs/dbraw/zinc/49/78/99/337497899.db2.gz OZJIRLXKMOXFLY-CHWSQXEVSA-N 2 0 303.837 3.679 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000580475394 337680833 /nfs/dbraw/zinc/68/08/33/337680833.db2.gz SXHUYWZMDCOONU-RBUKOAKNSA-N 2 0 304.478 3.541 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000422729267 337684290 /nfs/dbraw/zinc/68/42/90/337684290.db2.gz KGMWGCNQGABICU-FDZBUTDGSA-N 2 0 303.494 3.960 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422737462 337684598 /nfs/dbraw/zinc/68/45/98/337684598.db2.gz IHPJMTSJSBFFDD-SFHVURJKSA-N 3 0 317.521 3.526 20 0 DHADRP Cc1cccnc1[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000422749140 337684986 /nfs/dbraw/zinc/68/49/86/337684986.db2.gz XTOWGISNMSYILG-OKZBNKHCSA-N 2 0 303.494 3.988 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000422766837 337685609 /nfs/dbraw/zinc/68/56/09/337685609.db2.gz MJNSSKHZBLYALD-RBUKOAKNSA-N 2 0 306.494 3.851 20 0 DHADRP CC[C@H](C)[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1ccc(Cl)cc1 ZINC000422775624 337685917 /nfs/dbraw/zinc/68/59/17/337685917.db2.gz ATMRBBAFVCJFRI-IAOVAPTHSA-N 2 0 312.885 3.771 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc2)c1 ZINC000422786217 337686634 /nfs/dbraw/zinc/68/66/34/337686634.db2.gz KJWYILPYRNMUSQ-INIZCTEOSA-N 2 0 312.457 3.969 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)C)cc1OCC ZINC000422799689 337687114 /nfs/dbraw/zinc/68/71/14/337687114.db2.gz YAPWIJVIHNGSRV-SPYBWZPUSA-N 2 0 322.493 3.897 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422804343 337687285 /nfs/dbraw/zinc/68/72/85/337687285.db2.gz HLHIPCCETNBSMD-UHOSZYNNSA-N 2 0 304.478 3.570 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000422856409 337689028 /nfs/dbraw/zinc/68/90/28/337689028.db2.gz FFXOAYHUSQQAPM-ILXRZTDVSA-N 2 0 316.445 3.789 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422875391 337689538 /nfs/dbraw/zinc/68/95/38/337689538.db2.gz CGRBFLBCECVFQC-QAPCUYQASA-N 2 0 304.453 3.615 20 0 DHADRP Fc1cccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCCC2)c1 ZINC000422874110 337689577 /nfs/dbraw/zinc/68/95/77/337689577.db2.gz MXVYBUMDLABGAN-SWDXFRIISA-N 2 0 302.437 3.930 20 0 DHADRP Fc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)cc1 ZINC000422885675 337689999 /nfs/dbraw/zinc/68/99/99/337689999.db2.gz ZCUVTIUFSWLWBR-JWTNVVGKSA-N 2 0 302.437 3.510 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422889376 337690287 /nfs/dbraw/zinc/69/02/87/337690287.db2.gz GDYQFGCBIZPMML-DYESRHJHSA-N 2 0 324.468 3.743 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422898910 337690486 /nfs/dbraw/zinc/69/04/86/337690486.db2.gz NGJJUEKJGUTBCE-HSALFYBXSA-N 2 0 316.489 3.732 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422898913 337690591 /nfs/dbraw/zinc/69/05/91/337690591.db2.gz NGJJUEKJGUTBCE-XUVXKRRUSA-N 2 0 316.489 3.732 20 0 DHADRP Cc1csc(CCCC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000422911879 337691103 /nfs/dbraw/zinc/69/11/03/337691103.db2.gz UQFXTYBMAXCURQ-HOCLYGCPSA-N 2 0 309.523 3.675 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000422924957 337691731 /nfs/dbraw/zinc/69/17/31/337691731.db2.gz ZLTOFRNXJJEYPN-ZPPKWKGLSA-N 2 0 315.244 3.534 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422934808 337692210 /nfs/dbraw/zinc/69/22/10/337692210.db2.gz KAKUHOCYNMQHBT-CZUORRHYSA-N 2 0 315.486 3.911 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000422940473 337692688 /nfs/dbraw/zinc/69/26/88/337692688.db2.gz SULGPWXKYVHKEL-MPGHIAIKSA-N 2 0 316.420 3.661 20 0 DHADRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccc1OC1CCCC1 ZINC000422944528 337692980 /nfs/dbraw/zinc/69/29/80/337692980.db2.gz SGXDBVGQBVUQKZ-OAHLLOKOSA-N 2 0 320.477 3.624 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422988352 337693784 /nfs/dbraw/zinc/69/37/84/337693784.db2.gz IUNJSKPLKUKOBV-BJJXKVORSA-N 2 0 312.404 3.717 20 0 DHADRP Clc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422997413 337694147 /nfs/dbraw/zinc/69/41/47/337694147.db2.gz AXYYEHSPBLVOIJ-DJIMGWMZSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949566 337694497 /nfs/dbraw/zinc/69/44/97/337694497.db2.gz UICNOZPGSDDEMI-POHMFUSSSA-N 2 0 320.480 3.999 20 0 DHADRP CC1CCC(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422974436 337695347 /nfs/dbraw/zinc/69/53/47/337695347.db2.gz QYLDLYLTNICOKC-AURQOUSISA-N 2 0 314.473 3.658 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423011742 337695514 /nfs/dbraw/zinc/69/55/14/337695514.db2.gz BMFXCTQCYAMHSW-CVEARBPZSA-N 2 0 312.379 3.888 20 0 DHADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423026067 337696215 /nfs/dbraw/zinc/69/62/15/337696215.db2.gz MXXJGFYMWDQKPL-VAMGGRTRSA-N 2 0 315.505 3.779 20 0 DHADRP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423033739 337696490 /nfs/dbraw/zinc/69/64/90/337696490.db2.gz ZVZHUANYAZULRC-BMGDILEWSA-N 2 0 318.892 3.882 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]1C ZINC000423040920 337696908 /nfs/dbraw/zinc/69/69/08/337696908.db2.gz VIBFFMKNKWQGIX-ZKHYITAMSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423057052 337697453 /nfs/dbraw/zinc/69/74/53/337697453.db2.gz GRRNYCHQAHPORM-XUJVJEKNSA-N 2 0 300.368 3.539 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423057624 337697545 /nfs/dbraw/zinc/69/75/45/337697545.db2.gz HNVSNTQXVGIHJJ-IOASZLSFSA-N 2 0 314.395 3.787 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000423060428 337697638 /nfs/dbraw/zinc/69/76/38/337697638.db2.gz IEYNILVUHBWKII-PZJWPPBQSA-N 2 0 324.468 3.684 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423071093 337698341 /nfs/dbraw/zinc/69/83/41/337698341.db2.gz HCPDBGCQYWTIDH-CQSZACIVSA-N 2 0 310.432 3.884 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423122260 337700408 /nfs/dbraw/zinc/70/04/08/337700408.db2.gz BZFXNFAZEOEAGK-RXABAKJHSA-N 2 0 302.437 3.582 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000423120974 337700495 /nfs/dbraw/zinc/70/04/95/337700495.db2.gz AEKPYNATMSXKQU-ONSCTEFMSA-N 2 0 316.464 3.972 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000423128677 337700765 /nfs/dbraw/zinc/70/07/65/337700765.db2.gz WENPWUARWOXWDO-PZJWPPBQSA-N 2 0 324.468 3.711 20 0 DHADRP CC(C)(C)C1CC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423130539 337700887 /nfs/dbraw/zinc/70/08/87/337700887.db2.gz GSGHQOKDMBMGHQ-VQIVBJKUSA-N 2 0 314.473 3.657 20 0 DHADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423137061 337701164 /nfs/dbraw/zinc/70/11/64/337701164.db2.gz WAOKMVJWVNAPDC-ZJIFWQFVSA-N 2 0 300.437 3.712 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423137209 337701248 /nfs/dbraw/zinc/70/12/48/337701248.db2.gz ZXKYWRHDOPTRCU-VIFPVBQESA-N 2 0 310.310 3.591 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423138395 337701304 /nfs/dbraw/zinc/70/13/04/337701304.db2.gz JEZOFXVFIHRATH-OKZBNKHCSA-N 2 0 315.505 3.568 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc2O1 ZINC000423166441 337702231 /nfs/dbraw/zinc/70/22/31/337702231.db2.gz ZFQSTJPHCWITRK-CSFFLVESSA-N 2 0 314.473 3.799 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423200959 337703776 /nfs/dbraw/zinc/70/37/76/337703776.db2.gz NRKUZNGPXLSUNA-HNNXBMFYSA-N 2 0 316.420 3.665 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423204398 337703914 /nfs/dbraw/zinc/70/39/14/337703914.db2.gz AMXFHEIFAKFIEO-PDWCTOEPSA-N 2 0 312.910 3.871 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423212377 337704431 /nfs/dbraw/zinc/70/44/31/337704431.db2.gz IJAMLWVLNBUNRT-YZVOILCLSA-N 2 0 312.457 3.887 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423218785 337705170 /nfs/dbraw/zinc/70/51/70/337705170.db2.gz WBJJCFWECJQWSC-BEFAXECRSA-N 2 0 302.462 3.516 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423224154 337705623 /nfs/dbraw/zinc/70/56/23/337705623.db2.gz IJPMNCSKMFWKRT-WDEREUQCSA-N 2 0 307.438 3.646 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423256043 337707677 /nfs/dbraw/zinc/70/76/77/337707677.db2.gz DGFUTHZCHKHOPH-HUUCEWRRSA-N 2 0 315.486 3.850 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256275 337707744 /nfs/dbraw/zinc/70/77/44/337707744.db2.gz DUHNJRWZAVGOLP-BBRMVZONSA-N 2 0 308.853 3.533 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261358 337707944 /nfs/dbraw/zinc/70/79/44/337707944.db2.gz RYSWSSGQJQCKJC-IAQYHMDHSA-N 2 0 313.272 3.960 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000423292007 337710097 /nfs/dbraw/zinc/71/00/97/337710097.db2.gz KXZLGDRHVIBVJU-ACJLOTCBSA-N 2 0 314.404 3.849 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000423291831 337710161 /nfs/dbraw/zinc/71/01/61/337710161.db2.gz KAFXKJLBMKFAKR-UGSOOPFHSA-N 2 0 318.848 3.837 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000423295863 337710725 /nfs/dbraw/zinc/71/07/25/337710725.db2.gz XOWXPKSIOIICQI-IFXJQAMLSA-N 2 0 312.482 3.827 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423297819 337710848 /nfs/dbraw/zinc/71/08/48/337710848.db2.gz LZXMSDWGGDGBGP-CABCVRRESA-N 2 0 316.420 3.650 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423300674 337711077 /nfs/dbraw/zinc/71/10/77/337711077.db2.gz DUTIHDKDCVDCDD-SUMWQHHRSA-N 2 0 320.383 3.562 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423318260 337711704 /nfs/dbraw/zinc/71/17/04/337711704.db2.gz DIUODNGSBPPEFW-HUUCEWRRSA-N 2 0 300.368 3.670 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423327717 337712153 /nfs/dbraw/zinc/71/21/53/337712153.db2.gz LSDNMFPXCAGLCS-AWEZNQCLSA-N 2 0 315.486 3.850 20 0 DHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423328291 337712193 /nfs/dbraw/zinc/71/21/93/337712193.db2.gz APLRVDDZLNUPOZ-KRWDZBQOSA-N 2 0 322.452 3.836 20 0 DHADRP Clc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1Cl ZINC000423330225 337712301 /nfs/dbraw/zinc/71/23/01/337712301.db2.gz BPLSHZUODIMRJC-INIZCTEOSA-N 2 0 311.256 3.954 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c2ccccc12 ZINC000423335357 337712516 /nfs/dbraw/zinc/71/25/16/337712516.db2.gz RRLBUVWWXIONOM-OAHLLOKOSA-N 2 0 312.457 3.889 20 0 DHADRP c1ccc(CC[C@H](Cc2ccccc2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423342970 337713033 /nfs/dbraw/zinc/71/30/33/337713033.db2.gz LFELONMQPYSRHO-JOCHJYFZSA-N 2 0 320.480 3.740 20 0 DHADRP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423347566 337713410 /nfs/dbraw/zinc/71/34/10/337713410.db2.gz QPRIQBCYNQLNOH-NSHDSACASA-N 2 0 317.285 3.942 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423362422 337714549 /nfs/dbraw/zinc/71/45/49/337714549.db2.gz HSOOMJZCGBUMGO-KCXAZCMYSA-N 2 0 314.395 3.886 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423365197 337714690 /nfs/dbraw/zinc/71/46/90/337714690.db2.gz WGHRAHCYVNIAKC-HNNXBMFYSA-N 2 0 310.441 3.929 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nccc2ccccc21 ZINC000423366026 337714855 /nfs/dbraw/zinc/71/48/55/337714855.db2.gz BLCOEAABPBKPIN-CQSZACIVSA-N 2 0 303.409 3.689 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)cc1 ZINC000423372263 337715163 /nfs/dbraw/zinc/71/51/63/337715163.db2.gz HAXWUUNJTLZOGS-QWFCFKBJSA-N 2 0 310.441 3.644 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cccc(Br)c21 ZINC000423407302 337716086 /nfs/dbraw/zinc/71/60/86/337716086.db2.gz ZTNMGWTURHDFSB-FJJYHAOUSA-N 2 0 323.278 3.857 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386667 337717998 /nfs/dbraw/zinc/71/79/98/337717998.db2.gz MHRUPGDNYNDIEQ-PMACEKPBSA-N 2 0 310.416 3.855 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423446615 337719583 /nfs/dbraw/zinc/71/95/83/337719583.db2.gz SUXWTJJWECSZJG-FFZOFVMBSA-N 2 0 323.484 3.831 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423450065 337719898 /nfs/dbraw/zinc/71/98/98/337719898.db2.gz HCUVMSCVKRZHKK-ABAIWWIYSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000423451143 337720081 /nfs/dbraw/zinc/72/00/81/337720081.db2.gz XXQPRSSPLLTVNL-ONGXBYRLSA-N 2 0 321.468 3.787 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423468483 337721041 /nfs/dbraw/zinc/72/10/41/337721041.db2.gz CAKWQORZIJPMHI-GOEBONIOSA-N 2 0 308.853 3.676 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C(c1ccccc1)c1ccccc1 ZINC000423472654 337721303 /nfs/dbraw/zinc/72/13/03/337721303.db2.gz XQMFCRCOXIRSNQ-FUUYNRHESA-N 2 0 306.453 3.882 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473352 337721418 /nfs/dbraw/zinc/72/14/18/337721418.db2.gz YEIMJWVGCLJBBH-VIJBBTGJSA-N 2 0 304.865 3.897 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423490934 337722552 /nfs/dbraw/zinc/72/25/52/337722552.db2.gz YEGHRMATEBFFHU-FUHWJXTLSA-N 2 0 302.462 3.639 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423491101 337722619 /nfs/dbraw/zinc/72/26/19/337722619.db2.gz JEASGGHEWBKWTB-OUCADQQQSA-N 2 0 314.445 3.822 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)c2ccccc2)c1 ZINC000423493411 337722726 /nfs/dbraw/zinc/72/27/26/337722726.db2.gz PZFJWQBHFGVHQU-DSKINZAPSA-N 2 0 324.468 3.696 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000423495175 337722796 /nfs/dbraw/zinc/72/27/96/337722796.db2.gz FAGPRWBIHFSZMZ-LYRGGWFBSA-N 2 0 312.379 3.874 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423499839 337723294 /nfs/dbraw/zinc/72/32/94/337723294.db2.gz BFLQFFZAQKYHGI-PXNSSMCTSA-N 2 0 311.473 3.863 20 0 DHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)C2)c1 ZINC000423536078 337724887 /nfs/dbraw/zinc/72/48/87/337724887.db2.gz GKOYKHWOCQBQLP-SJLPKXTDSA-N 2 0 304.865 3.876 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CCC3=CC[NH2+]CC3)c(C)c2c1 ZINC000423540901 337725199 /nfs/dbraw/zinc/72/51/99/337725199.db2.gz RBJGPXMMEVCUST-AWEZNQCLSA-N 2 0 314.429 3.710 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC(C(F)(F)F)CC1 ZINC000423545133 337725277 /nfs/dbraw/zinc/72/52/77/337725277.db2.gz OULPMFMUZVKFSJ-CJTRTSLKSA-N 2 0 318.427 3.721 20 0 DHADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)C2)cc1 ZINC000423546056 337725284 /nfs/dbraw/zinc/72/52/84/337725284.db2.gz YJWUGNFYJVFNNR-SJLPKXTDSA-N 2 0 304.865 3.876 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423543589 337725323 /nfs/dbraw/zinc/72/53/23/337725323.db2.gz NIIMDZHXKADBCG-PTXMEEOASA-N 2 0 312.501 3.937 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1C(F)(F)F ZINC000423550213 337725389 /nfs/dbraw/zinc/72/53/89/337725389.db2.gz SPJCNVJIMYQJLC-RFQIPJPRSA-N 2 0 312.379 3.744 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423555054 337725479 /nfs/dbraw/zinc/72/54/79/337725479.db2.gz XRFKQHLEUSRJSX-WTGUMLROSA-N 2 0 300.490 3.622 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[NH+]1CCCC1 ZINC000537295938 337928946 /nfs/dbraw/zinc/92/89/46/337928946.db2.gz OENSEHFYIABTFM-INDMIFKZSA-N 2 0 322.537 3.680 20 0 DHADRP Fc1cc(F)cc(C2CC([NH2+]C3CC[NH+](C4CCC4)CC3)C2)c1 ZINC000515557345 337992836 /nfs/dbraw/zinc/99/28/36/337992836.db2.gz XNNPQLGYUHGYSS-UHFFFAOYSA-N 2 0 320.427 3.817 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000515593904 337993697 /nfs/dbraw/zinc/99/36/97/337993697.db2.gz FPWRPSKEJGAZFF-XEMDLRDOSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000425923945 338019018 /nfs/dbraw/zinc/01/90/18/338019018.db2.gz MFFWCFVYWMQJIU-CJNGLKHVSA-N 2 0 300.437 3.664 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000428247278 338043981 /nfs/dbraw/zinc/04/39/81/338043981.db2.gz TZLORWCPEOIWMD-ICSRJNTNSA-N 2 0 318.505 3.816 20 0 DHADRP Cc1cc(N(C)Cc2cn3c(n2)CCCC3)c2cc(F)ccc2[nH+]1 ZINC000428696777 338058730 /nfs/dbraw/zinc/05/87/30/338058730.db2.gz ZWVJHGYJFYPYQT-UHFFFAOYSA-N 2 0 324.403 3.852 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCSc3ccccc3Cl)C2)C1 ZINC000428994440 338068222 /nfs/dbraw/zinc/06/82/22/338068222.db2.gz FSIHQPWESNWMMR-KRWDZBQOSA-N 2 0 324.921 3.850 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccsc4)cc3)C2)C1 ZINC000429039450 338069590 /nfs/dbraw/zinc/06/95/90/338069590.db2.gz ZKYJMDDLHXKDST-IBGZPJMESA-N 2 0 312.482 3.943 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429143683 338071844 /nfs/dbraw/zinc/07/18/44/338071844.db2.gz RMWQERNZVXDCTI-WBVHZDCISA-N 2 0 324.921 3.991 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)CC2(OC)CCC2)c1 ZINC000429517226 338082779 /nfs/dbraw/zinc/08/27/79/338082779.db2.gz GFTYNWWANVRRHH-QGZVFWFLSA-N 2 0 318.505 3.966 20 0 DHADRP CC[C@@H]1CCCC[N@@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429708203 338088056 /nfs/dbraw/zinc/08/80/56/338088056.db2.gz LMKXZSBBRSRASL-WOJBJXKFSA-N 2 0 316.489 3.542 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000430022694 338093709 /nfs/dbraw/zinc/09/37/09/338093709.db2.gz MDEOOCHNBVNZFH-AWEZNQCLSA-N 2 0 306.881 3.735 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000430143703 338098927 /nfs/dbraw/zinc/09/89/27/338098927.db2.gz XTVAMOXAYWGCDZ-FUHWJXTLSA-N 2 0 310.526 3.824 20 0 DHADRP CCC(CC)(C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000430151489 338099371 /nfs/dbraw/zinc/09/93/71/338099371.db2.gz UUJBQRKVYPAKQD-PKOBYXMFSA-N 2 0 318.505 3.692 20 0 DHADRP CSC[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000430195442 338100668 /nfs/dbraw/zinc/10/06/68/338100668.db2.gz INAFPKBAVLJBJX-CYBMUJFWSA-N 2 0 307.488 3.509 20 0 DHADRP CC(C)(C[NH2+]CCSCc1ccccc1)C[NH+]1CCCC1 ZINC000430753089 338113737 /nfs/dbraw/zinc/11/37/37/338113737.db2.gz GPQQVNGTQOWZTK-UHFFFAOYSA-N 2 0 306.519 3.631 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430922665 338118862 /nfs/dbraw/zinc/11/88/62/338118862.db2.gz BUYQYMGDKNQJDX-GFCCVEGCSA-N 2 0 319.836 3.554 20 0 DHADRP c1ccc2cc(OCCC[NH+]3CCC4(CC[NH2+]C4)CC3)ccc2c1 ZINC000431032506 338120859 /nfs/dbraw/zinc/12/08/59/338120859.db2.gz JUMMPUCJHBGHQX-UHFFFAOYSA-N 2 0 324.468 3.684 20 0 DHADRP C[C@@H]1CN(CCC[NH2+]C2CCC(C(C)(C)C)CC2)CCCO1 ZINC000432364488 338154194 /nfs/dbraw/zinc/15/41/94/338154194.db2.gz JQYTXAJDYWMBLY-WWDZGPRUSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432413443 338155563 /nfs/dbraw/zinc/15/55/63/338155563.db2.gz MOEYIJGXGUIWCC-ZIFCJYIRSA-N 2 0 316.489 3.634 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753573 338166563 /nfs/dbraw/zinc/16/65/63/338166563.db2.gz VGYCATMMDSQIEV-IUODEOHRSA-N 2 0 321.465 3.598 20 0 DHADRP COc1cc(C[NH+](C)C2CCC2)cc(C[N@H+](C)C2CCC2)c1 ZINC000432823720 338169326 /nfs/dbraw/zinc/16/93/26/338169326.db2.gz LSXMDFTVLWVSCN-UHFFFAOYSA-N 2 0 302.462 3.664 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1C ZINC000433078402 338180668 /nfs/dbraw/zinc/18/06/68/338180668.db2.gz RTPZUEQMAUNTSF-PMACEKPBSA-N 2 0 312.501 3.942 20 0 DHADRP Cc1ccc(CC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435618945 338243827 /nfs/dbraw/zinc/24/38/27/338243827.db2.gz RZNHGJICQSZSLN-NRFANRHFSA-N 2 0 323.484 3.577 20 0 DHADRP FC(F)(F)CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690289 338245408 /nfs/dbraw/zinc/24/54/08/338245408.db2.gz AGMPSFXFGAKVOP-CYBMUJFWSA-N 2 0 318.408 3.645 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCSCC1 ZINC000436304832 338267843 /nfs/dbraw/zinc/26/78/43/338267843.db2.gz DZHAFTRKSBKJNN-MAUKXSAKSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000438090837 338330980 /nfs/dbraw/zinc/33/09/80/338330980.db2.gz WGFXCZULJZIOFP-QZTJIDSGSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1ccc2cc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)ccc2n1 ZINC000438097847 338331473 /nfs/dbraw/zinc/33/14/73/338331473.db2.gz UQJPRDXDXXHYME-LJQANCHMSA-N 2 0 323.484 3.707 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000438117889 338333120 /nfs/dbraw/zinc/33/31/20/338333120.db2.gz MLDJSXHVJTWEJK-NRSPTQNISA-N 2 0 312.501 3.915 20 0 DHADRP Cc1ccccc1CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000440323800 338385628 /nfs/dbraw/zinc/38/56/28/338385628.db2.gz IBPVDOKWASLBJW-IBGZPJMESA-N 2 0 300.490 3.591 20 0 DHADRP COC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CCCC1 ZINC000446934568 338541194 /nfs/dbraw/zinc/54/11/94/338541194.db2.gz BDPJRIMWGOTABW-MHJFOBGBSA-N 2 0 322.537 3.824 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000447045291 338543501 /nfs/dbraw/zinc/54/35/01/338543501.db2.gz AJWGUGJVUCJETH-SFHVURJKSA-N 2 0 304.865 3.791 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000447572868 338557938 /nfs/dbraw/zinc/55/79/38/338557938.db2.gz PSZHQPRYXVGTMH-LJQANCHMSA-N 2 0 302.462 3.610 20 0 DHADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449250806 338606783 /nfs/dbraw/zinc/60/67/83/338606783.db2.gz PZDSEIKDBDKGCU-ZPUOCTKUSA-N 2 0 310.526 3.582 20 0 DHADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000449286079 338609660 /nfs/dbraw/zinc/60/96/60/338609660.db2.gz GSDAWNKLNWIMDG-HNNXBMFYSA-N 2 0 324.390 3.555 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000449403691 338621360 /nfs/dbraw/zinc/62/13/60/338621360.db2.gz RBLIEONQHRDNGO-CAMMJAKZSA-N 2 0 310.526 3.680 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccncc1 ZINC000453067885 338789761 /nfs/dbraw/zinc/78/97/61/338789761.db2.gz JQIMHBRCDZVPAG-FQEVSTJZSA-N 2 0 309.457 3.918 20 0 DHADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000194987571 338815605 /nfs/dbraw/zinc/81/56/05/338815605.db2.gz NEGVLKJPSQKMCY-AWEZNQCLSA-N 2 0 300.446 3.988 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000455642232 338901741 /nfs/dbraw/zinc/90/17/41/338901741.db2.gz RGHMTIQXGSUNCH-SECBINFHSA-N 2 0 305.224 3.783 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459408016 339027567 /nfs/dbraw/zinc/02/75/67/339027567.db2.gz PRXHLJHATKIFMA-UHFFFAOYSA-N 2 0 323.484 3.926 20 0 DHADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459466993 339030919 /nfs/dbraw/zinc/03/09/19/339030919.db2.gz QCSNKFDMIDJOHV-IIBYNOLFSA-N 2 0 321.468 3.964 20 0 DHADRP C[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459466995 339030935 /nfs/dbraw/zinc/03/09/35/339030935.db2.gz QCSNKFDMIDJOHV-KKSFZXQISA-N 2 0 321.468 3.964 20 0 DHADRP C[C@]1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCc2ccccc21 ZINC000459488945 339032340 /nfs/dbraw/zinc/03/23/40/339032340.db2.gz WQIWOUQWDOUQJY-NRFANRHFSA-N 2 0 321.468 3.892 20 0 DHADRP C[C@H](CC1CCCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459502425 339032901 /nfs/dbraw/zinc/03/29/01/339032901.db2.gz CVEBYKVYZRLBAM-MRXNPFEDSA-N 2 0 301.478 3.999 20 0 DHADRP CCCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000459550101 339035182 /nfs/dbraw/zinc/03/51/82/339035182.db2.gz HCOLAFLAIXQBLU-LJQANCHMSA-N 2 0 301.478 3.999 20 0 DHADRP CCCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000459550100 339035213 /nfs/dbraw/zinc/03/52/13/339035213.db2.gz HCOLAFLAIXQBLU-IBGZPJMESA-N 2 0 301.478 3.999 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000459561111 339035938 /nfs/dbraw/zinc/03/59/38/339035938.db2.gz MHEOVFFWQRZMLM-IKGGRYGDSA-N 2 0 301.478 3.855 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C)C1 ZINC000459670588 339042066 /nfs/dbraw/zinc/04/20/66/339042066.db2.gz UEVKDHJNDRKVHQ-AVRGHOLYSA-N 2 0 310.844 3.655 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459791020 339048815 /nfs/dbraw/zinc/04/88/15/339048815.db2.gz RODYSNWEWMJPCO-HOTGVXAUSA-N 2 0 306.519 3.661 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)C1(C)C ZINC000462804657 339090169 /nfs/dbraw/zinc/09/01/69/339090169.db2.gz MEHKWHIMRIYEDM-ZWKOTPCHSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)O[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)C1(C)C ZINC000462804656 339090195 /nfs/dbraw/zinc/09/01/95/339090195.db2.gz MEHKWHIMRIYEDM-ROUUACIJSA-N 2 0 310.526 3.680 20 0 DHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc[nH+]c2cc(F)ccc21 ZINC000463083364 339105106 /nfs/dbraw/zinc/10/51/06/339105106.db2.gz RLIBMKPPSNQCFW-HNNXBMFYSA-N 2 0 301.409 3.685 20 0 DHADRP Cc1cc(Cl)ccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000463738504 339125200 /nfs/dbraw/zinc/12/52/00/339125200.db2.gz WVZQACICMMNAKJ-HZPDHXFCSA-N 2 0 324.896 3.627 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000467359605 339233933 /nfs/dbraw/zinc/23/39/33/339233933.db2.gz OPJSOHRFGYDENN-GOSISDBHSA-N 2 0 320.452 3.533 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000467363697 339234147 /nfs/dbraw/zinc/23/41/47/339234147.db2.gz DLIFMDLVKKFQSW-FCGDIQPGSA-N 2 0 315.505 3.879 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000467363699 339234198 /nfs/dbraw/zinc/23/41/98/339234198.db2.gz DLIFMDLVKKFQSW-XWSJACJDSA-N 2 0 315.505 3.879 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C(C)(C)C ZINC000467371799 339234880 /nfs/dbraw/zinc/23/48/80/339234880.db2.gz WUTPYQOWYNOUAL-TVFCKZIOSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000468028023 339251611 /nfs/dbraw/zinc/25/16/11/339251611.db2.gz UZTGINNHIBEEGN-CHWSQXEVSA-N 2 0 318.383 3.619 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000468995948 339277153 /nfs/dbraw/zinc/27/71/53/339277153.db2.gz ODXOPDQIZVFUAE-WMLDXEAASA-N 2 0 308.897 3.938 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000469047414 339278568 /nfs/dbraw/zinc/27/85/68/339278568.db2.gz ONZCVBIFHVLZTF-CJNGLKHVSA-N 2 0 314.395 3.568 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000469047278 339278620 /nfs/dbraw/zinc/27/86/20/339278620.db2.gz ONZCVBIFHVLZTF-BBRMVZONSA-N 2 0 314.395 3.568 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000469303686 339285612 /nfs/dbraw/zinc/28/56/12/339285612.db2.gz VPUKKUANRISQPR-JENIJYKNSA-N 2 0 318.505 3.992 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000469806766 339301400 /nfs/dbraw/zinc/30/14/00/339301400.db2.gz LEWNRQOBUJFWKU-JKSUJKDBSA-N 2 0 304.478 3.856 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000469849438 339302618 /nfs/dbraw/zinc/30/26/18/339302618.db2.gz ROPUCOJFKPDVPF-UHFFFAOYSA-N 2 0 316.420 3.907 20 0 DHADRP CCn1c2ccccc2c2cc(C[N@H+](C)C3CC[NH2+]CC3)ccc21 ZINC000470020067 339308769 /nfs/dbraw/zinc/30/87/69/339308769.db2.gz XCQAKDVSQBMOMZ-UHFFFAOYSA-N 2 0 321.468 3.998 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000470258828 339315346 /nfs/dbraw/zinc/31/53/46/339315346.db2.gz MHBRTPIPKAPCAT-XGUBFFRZSA-N 2 0 306.416 3.675 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000470258826 339315434 /nfs/dbraw/zinc/31/54/34/339315434.db2.gz MHBRTPIPKAPCAT-TUVASFSCSA-N 2 0 306.416 3.675 20 0 DHADRP C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470978337 339333647 /nfs/dbraw/zinc/33/36/47/339333647.db2.gz RWPMXYAJKSFTCW-HIFRSBDPSA-N 2 0 308.416 3.690 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc(Cl)c2)C1 ZINC000471043624 339335463 /nfs/dbraw/zinc/33/54/63/339335463.db2.gz MHCPRXJUBHQOSE-INIZCTEOSA-N 2 0 324.896 3.773 20 0 DHADRP Cc1cccnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472339305 339370099 /nfs/dbraw/zinc/37/00/99/339370099.db2.gz LNXCQGFDPJMCKF-TZIWHRDSSA-N 2 0 323.484 3.562 20 0 DHADRP Cc1cccc(N2CCC([NH2+]CCC3CCCCC3)CC2)n1 ZINC000472587077 339374469 /nfs/dbraw/zinc/37/44/69/339374469.db2.gz SGCMDAZYCVASFV-UHFFFAOYSA-N 2 0 301.478 3.919 20 0 DHADRP COc1ccc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000472590467 339374573 /nfs/dbraw/zinc/37/45/73/339374573.db2.gz STUFYXBHHOGEFE-LJQANCHMSA-N 2 0 316.489 3.749 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C(C)C ZINC000474041435 339398570 /nfs/dbraw/zinc/39/85/70/339398570.db2.gz ZBNVVLAGRFVEIM-GBESFXJTSA-N 2 0 310.526 3.680 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)ccc1F ZINC000488471303 339784541 /nfs/dbraw/zinc/78/45/41/339784541.db2.gz VXTHJJHOZIVQBJ-WBVHZDCISA-N 2 0 324.509 3.897 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499910358 340047016 /nfs/dbraw/zinc/04/70/16/340047016.db2.gz WKBBOGZJKSVCCD-CQSZACIVSA-N 2 0 312.404 3.767 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000500387686 340056370 /nfs/dbraw/zinc/05/63/70/340056370.db2.gz WVRYVFDIXDVMMT-RMJJICAUSA-N 2 0 318.505 3.546 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000501379152 340079520 /nfs/dbraw/zinc/07/95/20/340079520.db2.gz UYDKORMGRUGEJV-GOSISDBHSA-N 2 0 318.505 3.966 20 0 DHADRP CCc1cc(OC)ccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000502265444 340098071 /nfs/dbraw/zinc/09/80/71/340098071.db2.gz BETYTVNJMRQMHH-QAPCUYQASA-N 2 0 304.478 3.562 20 0 DHADRP CCOc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C(C)C)cc1 ZINC000502683099 340110335 /nfs/dbraw/zinc/11/03/35/340110335.db2.gz LYYZUTSTRDBBQX-SFHVURJKSA-N 2 0 304.478 3.780 20 0 DHADRP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](C)C2CC2)cc1 ZINC000502719485 340112148 /nfs/dbraw/zinc/11/21/48/340112148.db2.gz BWTSYUNOFSPCGF-APWZRJJASA-N 2 0 316.489 3.780 20 0 DHADRP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000503561425 340130732 /nfs/dbraw/zinc/13/07/32/340130732.db2.gz CHFNNBBDQMNUDG-IYBDPMFKSA-N 2 0 324.896 3.627 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000506851197 340202747 /nfs/dbraw/zinc/20/27/47/340202747.db2.gz MGOQAICDHLVNGF-UHFFFAOYSA-N 2 0 318.505 3.866 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000506861216 340202926 /nfs/dbraw/zinc/20/29/26/340202926.db2.gz KKZSXXZWHXTLPY-WOJBJXKFSA-N 2 0 300.490 3.844 20 0 DHADRP CCc1oc2ccccc2c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506907572 340203326 /nfs/dbraw/zinc/20/33/26/340203326.db2.gz GXQFZIZQNOMJJZ-UHFFFAOYSA-N 2 0 300.446 3.769 20 0 DHADRP CC(C)CCn1cccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000506911822 340203563 /nfs/dbraw/zinc/20/35/63/340203563.db2.gz RUPMGCSZLRUWIB-UHFFFAOYSA-N 2 0 317.521 3.842 20 0 DHADRP C1=C(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000507462618 340220657 /nfs/dbraw/zinc/22/06/57/340220657.db2.gz PIPZRXQEMMBWFT-PWRODBHTSA-N 2 0 310.485 3.987 20 0 DHADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507476141 340221703 /nfs/dbraw/zinc/22/17/03/340221703.db2.gz ISTYQPAYNVRTMJ-LJQANCHMSA-N 2 0 302.506 3.965 20 0 DHADRP CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507520026 340224021 /nfs/dbraw/zinc/22/40/21/340224021.db2.gz MMBRNOUGMNTIDD-NCXUSEDFSA-N 2 0 318.530 3.628 20 0 DHADRP C[C@H](F)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000509369024 340267474 /nfs/dbraw/zinc/26/74/74/340267474.db2.gz ACSACNSRNMYJGB-WDSOQIARSA-N 2 0 304.453 3.721 20 0 DHADRP Cc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc(C)c1O ZINC000302795867 340282216 /nfs/dbraw/zinc/28/22/16/340282216.db2.gz GBWDBYSSLXMDIW-UHFFFAOYSA-N 2 0 312.457 3.621 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000302832530 340283395 /nfs/dbraw/zinc/28/33/95/340283395.db2.gz IOLZBPAPYOQBAX-QGZVFWFLSA-N 2 0 312.457 3.868 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000510116326 340289227 /nfs/dbraw/zinc/28/92/27/340289227.db2.gz ACDMQAATMLOCID-QQFBHYJXSA-N 2 0 306.881 3.908 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000510122343 340289500 /nfs/dbraw/zinc/28/95/00/340289500.db2.gz VQIUBGWCRBXHEI-WQJNHMDYSA-N 2 0 316.489 3.558 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510672807 340305965 /nfs/dbraw/zinc/30/59/65/340305965.db2.gz WTJRWGGHDLGQHN-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000510668408 340305848 /nfs/dbraw/zinc/30/58/48/340305848.db2.gz IWEKTFSGPQDGGW-GIVPXCGWSA-N 2 0 312.501 3.719 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000511012178 340318128 /nfs/dbraw/zinc/31/81/28/340318128.db2.gz MJYOJIOOJZNYAN-CQSZACIVSA-N 2 0 322.443 3.750 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)CC3CCCC3)CC2)C1 ZINC000511036039 340318959 /nfs/dbraw/zinc/31/89/59/340318959.db2.gz ZOYLUUZXNXQFIV-AHRSYUTCSA-N 2 0 322.537 3.560 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000512963145 340385722 /nfs/dbraw/zinc/38/57/22/340385722.db2.gz AFZWKIPYFKUOTN-IEBWSBKVSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCC(F)(F)F)CC2)C1 ZINC000513030738 340389543 /nfs/dbraw/zinc/38/95/43/340389543.db2.gz VCXBZHKZYXNXGX-UKRRQHHQSA-N 2 0 306.416 3.962 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(O)CCCCCC3)CC2)C1 ZINC000513207683 340397181 /nfs/dbraw/zinc/39/71/81/340397181.db2.gz DIOOSQYPZIONTO-MJGOQNOKSA-N 2 0 322.537 3.704 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000513544653 340413006 /nfs/dbraw/zinc/41/30/06/340413006.db2.gz KUKLODFHEIUWMK-NKAIQICCSA-N 2 0 324.896 3.690 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC000178258338 340448150 /nfs/dbraw/zinc/44/81/50/340448150.db2.gz BSOPOUKOXIELJN-OAQYLSRUSA-N 2 0 312.501 3.780 20 0 DHADRP Cc1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000178484199 340449963 /nfs/dbraw/zinc/44/99/63/340449963.db2.gz ULCHZHJJOZOEJE-UHFFFAOYSA-N 2 0 313.489 3.871 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC34CC4)CC2)c1 ZINC000517247067 340466632 /nfs/dbraw/zinc/46/66/32/340466632.db2.gz NXHJOSTYMLECQP-QGZVFWFLSA-N 2 0 304.503 3.882 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCSCC1 ZINC000187274596 340518823 /nfs/dbraw/zinc/51/88/23/340518823.db2.gz SUJWMIWFNKCYNV-OAHLLOKOSA-N 2 0 310.551 3.905 20 0 DHADRP C(CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)CC[NH+]1CCCCC1 ZINC000194040029 340588378 /nfs/dbraw/zinc/58/83/78/340588378.db2.gz LGFYLZZUDVXKJM-CEXWTWQISA-N 2 0 320.521 3.580 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccsc2S1 ZINC000227495433 340599504 /nfs/dbraw/zinc/59/95/04/340599504.db2.gz FIDAFABYDAMPFQ-GXTWGEPZSA-N 2 0 310.532 3.995 20 0 DHADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COC1CCCCC1 ZINC000316351963 340680999 /nfs/dbraw/zinc/68/09/99/340680999.db2.gz JFUGUCQCXQWCSB-IPMKNSEASA-N 2 0 308.510 3.626 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1F ZINC000125342460 340803742 /nfs/dbraw/zinc/80/37/42/340803742.db2.gz PNPDOKFFVBDCED-CYBMUJFWSA-N 2 0 310.482 3.930 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000126394841 340826671 /nfs/dbraw/zinc/82/66/71/340826671.db2.gz MKOCFURPVOYMRC-HNNXBMFYSA-N 2 0 313.272 3.912 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130258591 341010174 /nfs/dbraw/zinc/01/01/74/341010174.db2.gz MKZQDVMTZNZGBD-SHWKFHJASA-N 2 0 306.416 3.818 20 0 DHADRP C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529039 341012273 /nfs/dbraw/zinc/01/22/73/341012273.db2.gz KUDHFVVVKKGTLT-XSYGEPLQSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+]CCCCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533366 341012491 /nfs/dbraw/zinc/01/24/91/341012491.db2.gz UXTWCWIUBUJKSI-KBPBESRZSA-N 2 0 306.416 3.962 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC000542915917 341026332 /nfs/dbraw/zinc/02/63/32/341026332.db2.gz SXTPXPMFVHMCEF-HLIPFELVSA-N 2 0 300.490 3.596 20 0 DHADRP C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cc(F)ccc1F ZINC000130565141 341028285 /nfs/dbraw/zinc/02/82/85/341028285.db2.gz HBPTYTXYUFGYMH-GFCCVEGCSA-N 2 0 301.340 3.506 20 0 DHADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)CCc1cccc(F)c1 ZINC000543095483 341031652 /nfs/dbraw/zinc/03/16/52/341031652.db2.gz OXIYHHKQBDVOPC-IPELMVKDSA-N 2 0 304.453 3.705 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000543139505 341033906 /nfs/dbraw/zinc/03/39/06/341033906.db2.gz FSTTUIBIXPYHBM-UHFFFAOYSA-N 2 0 324.459 3.951 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543711092 341054770 /nfs/dbraw/zinc/05/47/70/341054770.db2.gz UBIKZFKQQXRAOT-BEFAXECRSA-N 2 0 302.437 3.693 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000131243646 341068205 /nfs/dbraw/zinc/06/82/05/341068205.db2.gz FKIOOANWSZEVOR-UHFFFAOYSA-N 2 0 306.416 3.818 20 0 DHADRP CCSCC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000544080726 341069605 /nfs/dbraw/zinc/06/96/05/341069605.db2.gz APLTVJVNKCRLGX-UHFFFAOYSA-N 2 0 306.519 3.905 20 0 DHADRP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000544115935 341070814 /nfs/dbraw/zinc/07/08/14/341070814.db2.gz COHCSDSDRGUNII-IEZWGBDMSA-N 2 0 302.462 3.562 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000544347491 341077138 /nfs/dbraw/zinc/07/71/38/341077138.db2.gz XVXDIAGRYUGVCN-BEVDRBHNSA-N 2 0 324.472 3.976 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000546166897 341155611 /nfs/dbraw/zinc/15/56/11/341155611.db2.gz SVJWCFOLJGNZIG-KSSFIOAISA-N 2 0 324.896 3.880 20 0 DHADRP c1ccc(CC2CC[NH+](CCCC[NH2+]CC3CC3)CC2)cc1 ZINC000236697473 341195377 /nfs/dbraw/zinc/19/53/77/341195377.db2.gz MADDEOAYVYOQKA-UHFFFAOYSA-N 2 0 300.490 3.721 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000564324448 341222049 /nfs/dbraw/zinc/22/20/49/341222049.db2.gz GODUKSAASBEUMQ-WMZOPIPTSA-N 2 0 304.503 3.715 20 0 DHADRP CC[C@H](COC)[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000548194437 341252514 /nfs/dbraw/zinc/25/25/14/341252514.db2.gz YUSASALKKBSQNL-LJQANCHMSA-N 2 0 318.505 3.693 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000549229155 341289182 /nfs/dbraw/zinc/28/91/82/341289182.db2.gz ROCLGJQNGAZNKS-UXPWSPDFSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1cccc(Cl)c1 ZINC000549840581 341304675 /nfs/dbraw/zinc/30/46/75/341304675.db2.gz KTJIDNADHIRDGY-MAUKXSAKSA-N 2 0 306.881 3.861 20 0 DHADRP Cc1cccn2c(CN3CCS[C@@H]4CCCC[C@H]43)cnc12 ZINC000245692339 341309889 /nfs/dbraw/zinc/30/98/89/341309889.db2.gz BRMMBNGXAXTPBI-HZPDHXFCSA-N 2 0 301.459 3.503 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000550238326 341313124 /nfs/dbraw/zinc/31/31/24/341313124.db2.gz AIMVVBLNHMDCBD-GOSISDBHSA-N 2 0 306.881 3.690 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000550238327 341313244 /nfs/dbraw/zinc/31/32/44/341313244.db2.gz AIMVVBLNHMDCBD-SFHVURJKSA-N 2 0 306.881 3.690 20 0 DHADRP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275045 341314133 /nfs/dbraw/zinc/31/41/33/341314133.db2.gz OKTNYHNWNZSYTQ-FNNPODNZSA-N 2 0 313.272 3.637 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(C(F)(F)F)c2)C1 ZINC000550574259 341318760 /nfs/dbraw/zinc/31/87/60/341318760.db2.gz XTMIKBXBNRZARP-GDBMZVCRSA-N 2 0 312.379 3.622 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CCO1 ZINC000550789212 341323022 /nfs/dbraw/zinc/32/30/22/341323022.db2.gz VUUFLTSSQVUEPH-IZBJGVDFSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000551029456 341329569 /nfs/dbraw/zinc/32/95/69/341329569.db2.gz FBMCEYZEGHRCLN-AWEZNQCLSA-N 2 0 300.421 3.971 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246162432 341330514 /nfs/dbraw/zinc/33/05/14/341330514.db2.gz LXCCQYDKTJXFBA-SWLSCSKDSA-N 2 0 300.368 3.525 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000551537940 341344802 /nfs/dbraw/zinc/34/48/02/341344802.db2.gz WFTWIACSZKFBLE-KFKAGJAMSA-N 2 0 304.478 3.507 20 0 DHADRP CCOc1cc(Cl)ccc1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246366562 341345113 /nfs/dbraw/zinc/34/51/13/341345113.db2.gz IYULUPQUYCUGAF-BBRMVZONSA-N 2 0 310.869 3.559 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000551790715 341351895 /nfs/dbraw/zinc/35/18/95/341351895.db2.gz FUJRMSHJBBVPMA-NXHRZFHOSA-N 2 0 310.526 3.559 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000246871430 341358153 /nfs/dbraw/zinc/35/81/53/341358153.db2.gz DLIKDMXUKJKEJP-SJORKVTESA-N 2 0 304.478 3.856 20 0 DHADRP CCCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246932136 341358732 /nfs/dbraw/zinc/35/87/32/341358732.db2.gz HEMLZIASNSLDCI-GPMSIDNRSA-N 2 0 304.478 3.684 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247092102 341360997 /nfs/dbraw/zinc/36/09/97/341360997.db2.gz NYNVLYUZAIWILZ-GOEBONIOSA-N 2 0 308.416 3.976 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H](C)c1ccccc1 ZINC000247162660 341361690 /nfs/dbraw/zinc/36/16/90/341361690.db2.gz XYUJTMLIMOCCFX-AKHDSKFASA-N 2 0 318.505 3.658 20 0 DHADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552063655 341366523 /nfs/dbraw/zinc/36/65/23/341366523.db2.gz HIJHRDDQSYFQNM-UXHICEINSA-N 2 0 316.489 3.684 20 0 DHADRP COc1cccc([C@@H](C[NH2+][C@@H]2CC=C(C)CC2)N2CCCC2)c1 ZINC000552095737 341369427 /nfs/dbraw/zinc/36/94/27/341369427.db2.gz OHADKNOXAZQHRR-UYAOXDASSA-N 2 0 314.473 3.921 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)[C@H](C)C1 ZINC000247881023 341370943 /nfs/dbraw/zinc/37/09/43/341370943.db2.gz BQOPWQRWQUTKCO-GGPKGHCWSA-N 2 0 318.505 3.783 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)ccc2c1 ZINC000247946281 341371452 /nfs/dbraw/zinc/37/14/52/341371452.db2.gz HNORRZPQBJNONJ-BXTJHSDWSA-N 2 0 312.457 3.667 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000552250171 341381288 /nfs/dbraw/zinc/38/12/88/341381288.db2.gz XATXLHZPDBGWIR-HNNXBMFYSA-N 2 0 324.459 3.998 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000552262382 341382220 /nfs/dbraw/zinc/38/22/20/341382220.db2.gz TYTCKRUDSSORKR-CQSZACIVSA-N 2 0 322.443 3.750 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552283408 341384036 /nfs/dbraw/zinc/38/40/36/341384036.db2.gz BUEYQFRFGIRWEQ-RNQOJCNYSA-N 2 0 300.490 3.921 20 0 DHADRP C[C@H](Nc1cc2c(cn1)CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552408091 341391900 /nfs/dbraw/zinc/39/19/00/341391900.db2.gz WBTMEMBSVUIIBK-JXFKEZNVSA-N 2 0 321.468 3.893 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000554050299 341441782 /nfs/dbraw/zinc/44/17/82/341441782.db2.gz IGMVAXDVNNRVNA-MSOLQXFVSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000564440455 341501941 /nfs/dbraw/zinc/50/19/41/341501941.db2.gz HUSOOTVKPOAMHX-KSSFIOAISA-N 2 0 312.461 3.841 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000564740771 341508109 /nfs/dbraw/zinc/50/81/09/341508109.db2.gz GMKYFOBIDCJNDE-IBGZPJMESA-N 2 0 320.908 3.983 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000572564879 341516221 /nfs/dbraw/zinc/51/62/21/341516221.db2.gz BEPCWAQOFWFFGA-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP CSC1(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC[NH+](C)CC1 ZINC000566039540 341546191 /nfs/dbraw/zinc/54/61/91/341546191.db2.gz VTJGLNPGXRLUGB-KRWDZBQOSA-N 2 0 318.530 3.826 20 0 DHADRP CC(C)(C)c1cnc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000567183451 341585007 /nfs/dbraw/zinc/58/50/07/341585007.db2.gz UWNUPNDVTJSBIA-UHFFFAOYSA-N 2 0 309.523 3.796 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000574443233 341758704 /nfs/dbraw/zinc/75/87/04/341758704.db2.gz PKVJITRYYFAURH-GFCCVEGCSA-N 2 0 315.486 3.640 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc2c(s1)CCCC2 ZINC000575060338 341774381 /nfs/dbraw/zinc/77/43/81/341774381.db2.gz JXYXOAUEMHEMRE-CYBMUJFWSA-N 2 0 300.471 3.936 20 0 DHADRP CCc1noc(C)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121669453 517873134 /nfs/dbraw/zinc/87/31/34/517873134.db2.gz KFRAPSLVZALPRD-UHFFFAOYSA-N 2 0 319.493 3.633 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000270407100 519654035 /nfs/dbraw/zinc/65/40/35/519654035.db2.gz BBHPQLXGMBLBRG-KRWDZBQOSA-N 2 0 318.505 3.588 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000365074369 519722509 /nfs/dbraw/zinc/72/25/09/519722509.db2.gz VYKBLOGTQSKZTO-UAFMIMERSA-N 2 0 322.537 3.539 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCC[C@H]2CCCF)ccc1F ZINC000338000608 521888095 /nfs/dbraw/zinc/88/80/95/521888095.db2.gz YQRXPHYVENNYHX-YJBOKZPZSA-N 2 0 310.432 3.895 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccccc1OC(F)F ZINC000163283701 522631884 /nfs/dbraw/zinc/63/18/84/522631884.db2.gz MLPUSLKQSBSIAD-HIFRSBDPSA-N 2 0 312.404 3.671 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293491 522633040 /nfs/dbraw/zinc/63/30/40/522633040.db2.gz ZDAHZBGNAUKGEW-CJNGLKHVSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[NH+]1CCCCC1 ZINC000337270812 524198385 /nfs/dbraw/zinc/19/83/85/524198385.db2.gz ZZAYZURQXVBZRN-HBFSDRIKSA-N 2 0 315.505 3.962 20 0 DHADRP COc1ccc(F)c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000339185176 524275730 /nfs/dbraw/zinc/27/57/30/524275730.db2.gz VVCVRGSOLCRRRW-OAHLLOKOSA-N 2 0 308.441 3.579 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C[NH+]1CCCCC1 ZINC000337330097 524502210 /nfs/dbraw/zinc/50/22/10/524502210.db2.gz GEPWHLPBAKLLNU-HBFSDRIKSA-N 2 0 315.505 3.819 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367708121 525178161 /nfs/dbraw/zinc/17/81/61/525178161.db2.gz NVGIYHIRHCXNPL-JYPHPWERSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000156035282 525266082 /nfs/dbraw/zinc/26/60/82/525266082.db2.gz YQSODXDOWDEFAO-XLIONFOSSA-N 2 0 308.469 3.891 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774819 525415782 /nfs/dbraw/zinc/41/57/82/525415782.db2.gz FEEQLFLHQVAZBJ-JKSUJKDBSA-N 2 0 316.489 3.999 20 0 DHADRP C[C@@H]([NH2+]CC1(C[NH2+][C@H](C)c2ccccc2)COC1)c1ccccc1 ZINC000182417511 525422683 /nfs/dbraw/zinc/42/26/83/525422683.db2.gz ZQXSMRUPZZBTSO-QZTJIDSGSA-N 2 0 324.468 3.705 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cncc(F)c1 ZINC000162930905 525440004 /nfs/dbraw/zinc/44/00/04/525440004.db2.gz LIHYSCURRRDGHA-HNNXBMFYSA-N 2 0 313.420 3.667 20 0 DHADRP C[C@H]([NH2+]Cc1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000156500472 525468434 /nfs/dbraw/zinc/46/84/34/525468434.db2.gz JHTHLIOCLZIWEB-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325381 526038045 /nfs/dbraw/zinc/03/80/45/526038045.db2.gz SRYJGDFPHYYEIJ-STQMWFEESA-N 2 0 300.368 3.827 20 0 DHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325308 526072199 /nfs/dbraw/zinc/07/21/99/526072199.db2.gz YTJFZQUQWXIAOQ-OLZOCXBDSA-N 2 0 311.267 3.571 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366283600 526163648 /nfs/dbraw/zinc/16/36/48/526163648.db2.gz NJDHYDXMTONTGH-FAEJEUNOSA-N 2 0 318.530 3.946 20 0 DHADRP Cc1cncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000189950370 526205331 /nfs/dbraw/zinc/20/53/31/526205331.db2.gz HBRJHMGRWHVKPR-QZTJIDSGSA-N 2 0 323.484 3.636 20 0 DHADRP c1cncc([C@H]2CCC[C@H]([NH2+]CCCCC[NH+]3CCCC3)C2)c1 ZINC000339504971 526549885 /nfs/dbraw/zinc/54/98/85/526549885.db2.gz NAYXUWRVHPJUCM-ICSRJNTNSA-N 2 0 315.505 3.964 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000157940931 527107571 /nfs/dbraw/zinc/10/75/71/527107571.db2.gz WHYDMYOCBLMRMK-HOCLYGCPSA-N 2 0 321.534 3.931 20 0 DHADRP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164421335 718893487 /nfs/dbraw/zinc/89/34/87/718893487.db2.gz PPJDFFWZODALLY-MRXNPFEDSA-N 2 0 321.896 3.824 20 0 DHADRP Cc1cc2[nH]ccc2c(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165046065 721971952 /nfs/dbraw/zinc/97/19/52/721971952.db2.gz AEJTXFIYPJYKOV-MRXNPFEDSA-N 2 0 312.461 3.716 20 0 DHADRP c1csc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000037408441 1013087047 /nfs/dbraw/zinc/08/70/47/1013087047.db2.gz PIPHEXKJQALOAB-UHFFFAOYSA-N 2 0 300.471 3.545 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000044517414 1013093314 /nfs/dbraw/zinc/09/33/14/1013093314.db2.gz HVAZPULVMFMQKW-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000044517863 1013095329 /nfs/dbraw/zinc/09/53/29/1013095329.db2.gz KWAGQMCQTPDOIC-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP c1cncc([C@@H]([NH2+]CCCCC[NH+]2CCCC2)C2CCC2)c1 ZINC000293856009 1013113651 /nfs/dbraw/zinc/11/36/51/1013113651.db2.gz YSGHHKGZEBJGBD-IBGZPJMESA-N 2 0 301.478 3.779 20 0 DHADRP Cc1cc(C)cc(OC[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168290199 1032062283 /nfs/dbraw/zinc/06/22/83/1032062283.db2.gz CZHXIVICLSGIJG-AOCRQIFASA-N 2 0 304.478 3.533 20 0 DHADRP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nc2ccccc12 ZINC000261975888 1013191633 /nfs/dbraw/zinc/19/16/33/1013191633.db2.gz QTEDOWSUVHKORM-AWEZNQCLSA-N 2 0 317.864 3.757 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000537525670 1032070817 /nfs/dbraw/zinc/07/08/17/1032070817.db2.gz WIVQZDHDOPVLCF-HIFRSBDPSA-N 2 0 314.477 3.623 20 0 DHADRP CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000561778986 1032071660 /nfs/dbraw/zinc/07/16/60/1032071660.db2.gz LOIUVDOMWHFRPB-SQGPQFPESA-N 2 0 318.505 3.558 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000120718066 1013340578 /nfs/dbraw/zinc/34/05/78/1013340578.db2.gz OGCORQHDQMFWCG-UHFFFAOYSA-N 2 0 319.880 3.826 20 0 DHADRP C[C@H]([NH2+]CCc1c[nH]c2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC000120721740 1013341743 /nfs/dbraw/zinc/34/17/43/1013341743.db2.gz MLNLYMIVDWBXAJ-ZDUSSCGKSA-N 2 0 319.880 3.684 20 0 DHADRP C[C@H](NCc1nccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894434945 1013361070 /nfs/dbraw/zinc/36/10/70/1013361070.db2.gz XGMBUTRRIDXJPE-FUHWJXTLSA-N 2 0 323.484 3.977 20 0 DHADRP C[N@H+](CCCn1ccnc1)Cc1cccc(Oc2ccccn2)c1 ZINC000894477045 1013382864 /nfs/dbraw/zinc/38/28/64/1013382864.db2.gz XLCDSFFXWILBOW-UHFFFAOYSA-N 2 0 322.412 3.593 20 0 DHADRP [NH3+]CCc1cc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970791 1013385747 /nfs/dbraw/zinc/38/57/47/1013385747.db2.gz NCCKCWDEHGBBIN-UFRUDQCGSA-N 2 0 323.484 3.720 20 0 DHADRP CC1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000236827849 1013441142 /nfs/dbraw/zinc/44/11/42/1013441142.db2.gz TYBGBUNXCKKMLR-SKINQDTJSA-N 2 0 300.490 3.719 20 0 DHADRP CC1(C)C[N@H+](CCCF)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837759 1013449029 /nfs/dbraw/zinc/44/90/29/1013449029.db2.gz YNWFTHBCFJGRPF-IBGZPJMESA-N 2 0 318.480 3.969 20 0 DHADRP Cn1c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc2ccccc21 ZINC000638734330 1013453261 /nfs/dbraw/zinc/45/32/61/1013453261.db2.gz KSFGQSQBOZPVRG-UHFFFAOYSA-N 2 0 311.473 3.675 20 0 DHADRP c1sc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1-c1ccccc1 ZINC000262059380 1013500801 /nfs/dbraw/zinc/50/08/01/1013500801.db2.gz RAQQFQUUVQPWSK-UHFFFAOYSA-N 2 0 312.482 3.991 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000121304374 1013522373 /nfs/dbraw/zinc/52/23/73/1013522373.db2.gz LOMAWJGRIFFCMQ-HZPDHXFCSA-N 2 0 304.478 3.855 20 0 DHADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000519867355 1013616727 /nfs/dbraw/zinc/61/67/27/1013616727.db2.gz RYJDHJHSEQQCHI-HXUWFJFHSA-N 2 0 318.424 3.913 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccnc1Cl ZINC000247228424 1013626003 /nfs/dbraw/zinc/62/60/03/1013626003.db2.gz YCYHUUVNJLQDST-HUUCEWRRSA-N 2 0 309.885 3.898 20 0 DHADRP CCCc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000655703588 1013654794 /nfs/dbraw/zinc/65/47/94/1013654794.db2.gz IRAQDGVYPGUOFE-OXQOHEQNSA-N 2 0 316.489 3.543 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000579941919 1013681862 /nfs/dbraw/zinc/68/18/62/1013681862.db2.gz NILGZKXWEMWZQT-SFHVURJKSA-N 2 0 302.462 3.613 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)C[NH+]1CCCC1 ZINC000068692011 1013691872 /nfs/dbraw/zinc/69/18/72/1013691872.db2.gz LEMLEQSMYOUQCE-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc2ncccc12 ZINC000634688146 1013704641 /nfs/dbraw/zinc/70/46/41/1013704641.db2.gz JEAKBDGURKXUPU-UHFFFAOYSA-N 2 0 305.425 3.586 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCO2 ZINC000655804872 1013723321 /nfs/dbraw/zinc/72/33/21/1013723321.db2.gz DVEOUQBNMSKAED-HHXXYDBFSA-N 2 0 316.489 3.954 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000121592491 1013723481 /nfs/dbraw/zinc/72/34/81/1013723481.db2.gz COLHLSLVUFHQCH-VQIMIIECSA-N 2 0 324.468 3.618 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805235 1013723781 /nfs/dbraw/zinc/72/37/81/1013723781.db2.gz LIDOHNRPYQCWSR-SOLBZPMBSA-N 2 0 306.519 3.733 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000655804884 1013724248 /nfs/dbraw/zinc/72/42/48/1013724248.db2.gz DYMHUIUZEHHIHE-MDASCCDHSA-N 2 0 304.453 3.987 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Br)cs1 ZINC000655804417 1013727612 /nfs/dbraw/zinc/72/76/12/1013727612.db2.gz YKKNVJXXCQGGGB-FOGDFJRCSA-N 2 0 317.296 3.501 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824677 1013744500 /nfs/dbraw/zinc/74/45/00/1013744500.db2.gz NNMPYOGRVPUEGG-WBHAHGPOSA-N 2 0 324.415 3.621 20 0 DHADRP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000315601662 1013762953 /nfs/dbraw/zinc/76/29/53/1013762953.db2.gz UBMQGCNSSJHZIK-HZPDHXFCSA-N 2 0 304.478 3.855 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655847824 1013773408 /nfs/dbraw/zinc/77/34/08/1013773408.db2.gz DESIXWQGWMMVKS-RTBURBONSA-N 2 0 308.510 3.721 20 0 DHADRP CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000340439783 1013793491 /nfs/dbraw/zinc/79/34/91/1013793491.db2.gz DICUWMYKHSQPAN-ZDUSSCGKSA-N 2 0 310.401 3.582 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000121797196 1013813880 /nfs/dbraw/zinc/81/38/80/1013813880.db2.gz MSIVADYPKYIFOK-AWEZNQCLSA-N 2 0 308.897 3.938 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)cc1 ZINC000340459713 1013817484 /nfs/dbraw/zinc/81/74/84/1013817484.db2.gz CMBHZMITHCIMSS-APWZRJJASA-N 2 0 304.478 3.576 20 0 DHADRP Oc1ccc2c(c1)[C@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340473407 1013845089 /nfs/dbraw/zinc/84/50/89/1013845089.db2.gz CAGKCYWYSZYUOU-LJQANCHMSA-N 2 0 302.462 3.625 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]CCCCC[NH+]1CCCC1)CCCO2 ZINC000340475492 1013855870 /nfs/dbraw/zinc/85/58/70/1013855870.db2.gz CNAYBWSCLUEAMC-GOSISDBHSA-N 2 0 320.452 3.895 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@]1(C)CCCO1 ZINC000340475488 1013856027 /nfs/dbraw/zinc/85/60/27/1013856027.db2.gz RWSBTZQKBAQRPR-FXAWDEMLSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@]1(C)CCCO1 ZINC000340475491 1013856089 /nfs/dbraw/zinc/85/60/89/1013856089.db2.gz RWSBTZQKBAQRPR-XLIONFOSSA-N 2 0 316.489 3.720 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000425381447 1013881288 /nfs/dbraw/zinc/88/12/88/1013881288.db2.gz MSBUCSFRBPFISS-KURKYZTESA-N 2 0 318.530 3.771 20 0 DHADRP COCCC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000656199186 1014106148 /nfs/dbraw/zinc/10/61/48/1014106148.db2.gz WUBVHQRCLDXLCK-BPQIPLTHSA-N 2 0 324.896 3.710 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000656200421 1014106167 /nfs/dbraw/zinc/10/61/67/1014106167.db2.gz PGOWCLMOPHHPOS-OLZOCXBDSA-N 2 0 323.278 3.688 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000656201570 1014106170 /nfs/dbraw/zinc/10/61/70/1014106170.db2.gz RUNKERVPWHBBAJ-GFCCVEGCSA-N 2 0 316.367 3.681 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000125452477 1014115754 /nfs/dbraw/zinc/11/57/54/1014115754.db2.gz DMVWXYMWPAJVQZ-CQSZACIVSA-N 2 0 318.461 3.938 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000153782116 1014115853 /nfs/dbraw/zinc/11/58/53/1014115853.db2.gz YOHQRYCQNQBBTN-UYAOXDASSA-N 2 0 316.489 3.618 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001168298154 1032082592 /nfs/dbraw/zinc/08/25/92/1032082592.db2.gz BFYGBWWFDIZWNO-UHFFFAOYSA-N 2 0 318.358 3.807 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189363234 1014178293 /nfs/dbraw/zinc/17/82/93/1014178293.db2.gz SLBSLQYDQYZSQR-UHFFFAOYSA-N 2 0 311.473 3.755 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000262004925 1014227094 /nfs/dbraw/zinc/22/70/94/1014227094.db2.gz VPNJBBNYPWPLDG-UHFFFAOYSA-N 2 0 315.486 3.550 20 0 DHADRP CCc1onc(C)c1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001167424152 1014254933 /nfs/dbraw/zinc/25/49/33/1014254933.db2.gz CHIWBTFZMWTQFS-NVXWUHKLSA-N 2 0 319.493 3.632 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000580694980 1014294083 /nfs/dbraw/zinc/29/40/83/1014294083.db2.gz CACYRGFMLPTEDR-KYJSFNMBSA-N 2 0 306.881 3.908 20 0 DHADRP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2cc(F)ccc2[nH+]1 ZINC000133533759 1014298149 /nfs/dbraw/zinc/29/81/49/1014298149.db2.gz AZUXAGBCRYCIGG-KDOFPFPSSA-N 2 0 313.420 3.603 20 0 DHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000520632432 1014390998 /nfs/dbraw/zinc/39/09/98/1014390998.db2.gz VLWSRIRBODVYOT-OALUTQOASA-N 2 0 318.505 3.584 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006214 1014416697 /nfs/dbraw/zinc/41/66/97/1014416697.db2.gz MOMLZRWNLJKAQL-MIFYACCESA-N 2 0 314.395 3.970 20 0 DHADRP C[C@@H]1CC([NH2+]CCc2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006353 1014418233 /nfs/dbraw/zinc/41/82/33/1014418233.db2.gz NNCQSVYORHSMOB-QZTJIDSGSA-N 2 0 323.484 3.655 20 0 DHADRP COc1ccccc1/C=C\CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000255903046 1014462260 /nfs/dbraw/zinc/46/22/60/1014462260.db2.gz YZDUEUJQAMYRRV-QBUQCISBSA-N 2 0 314.473 3.659 20 0 DHADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665235740 1014507013 /nfs/dbraw/zinc/50/70/13/1014507013.db2.gz ZEJFJATUAIXEGC-KBPBESRZSA-N 2 0 315.436 3.578 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236450 1014507350 /nfs/dbraw/zinc/50/73/50/1014507350.db2.gz NGQTZBJFOUTRHJ-QOKNQOGYSA-N 2 0 302.462 3.657 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236452 1014508226 /nfs/dbraw/zinc/50/82/26/1014508226.db2.gz NGQTZBJFOUTRHJ-ZSZQSSIHSA-N 2 0 302.462 3.657 20 0 DHADRP c1csc(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000665238033 1014509531 /nfs/dbraw/zinc/50/95/31/1014509531.db2.gz ORNUGFBQSUWJQM-FGTMMUONSA-N 2 0 312.482 3.893 20 0 DHADRP c1csc(-c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000665238036 1014509832 /nfs/dbraw/zinc/50/98/32/1014509832.db2.gz ORNUGFBQSUWJQM-RCCFBDPRSA-N 2 0 312.482 3.893 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCCCCO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012124 1014606351 /nfs/dbraw/zinc/60/63/51/1014606351.db2.gz WPPZALSTQDJBIF-OPVJXMOQSA-N 2 0 318.505 3.570 20 0 DHADRP C[C@H]1CC([NH2+]CCn2cccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012353 1014609228 /nfs/dbraw/zinc/60/92/28/1014609228.db2.gz YVWUUTUSZKXMCX-ROUUACIJSA-N 2 0 311.473 3.519 20 0 DHADRP Cc1cc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(C)C ZINC000261730473 1014617315 /nfs/dbraw/zinc/61/73/15/1014617315.db2.gz MQLGCOCLSRHUHJ-JWTNVVGKSA-N 2 0 316.489 3.712 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665274717 1014637906 /nfs/dbraw/zinc/63/79/06/1014637906.db2.gz WYYSHDBMTNQJSF-YHNBSYBMSA-N 2 0 300.437 3.855 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273623 1014635872 /nfs/dbraw/zinc/63/58/72/1014635872.db2.gz AHLHPCGEBHSVPS-PXZKZTPFSA-N 2 0 308.416 3.503 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OCC ZINC000665279373 1014662191 /nfs/dbraw/zinc/66/21/91/1014662191.db2.gz BBVWVTSYWCBUPB-GDBMZVCRSA-N 2 0 308.466 3.508 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000665281187 1014665527 /nfs/dbraw/zinc/66/55/27/1014665527.db2.gz WRQCPBHDDGYXEB-KBAYOESNSA-N 2 0 322.468 3.824 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665280512 1014671895 /nfs/dbraw/zinc/67/18/95/1014671895.db2.gz DXFRYTYCNDSNQS-TZMCWYRMSA-N 2 0 300.393 3.620 20 0 DHADRP Cc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665282921 1014678936 /nfs/dbraw/zinc/67/89/36/1014678936.db2.gz DXKPBTPRKSMAMP-MGPUTAFESA-N 2 0 309.457 3.885 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000442644659 1014710623 /nfs/dbraw/zinc/71/06/23/1014710623.db2.gz HNXMYHVFQWBJFL-LJQANCHMSA-N 2 0 322.468 3.757 20 0 DHADRP COC(C)(C)C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000521573032 1014734757 /nfs/dbraw/zinc/73/47/57/1014734757.db2.gz AWPVZIFSZPPSNT-UHFFFAOYSA-N 2 0 304.478 3.529 20 0 DHADRP CC=C(NC=[NH2+])N1c2sc(C)cc2C(=N)Nc2ccccc21 ZINC001167457280 1014760984 /nfs/dbraw/zinc/76/09/84/1014760984.db2.gz WASBVLALYHHKLV-LZWSPWQCSA-N 2 0 311.414 3.603 20 0 DHADRP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442921669 1014774562 /nfs/dbraw/zinc/77/45/62/1014774562.db2.gz JCQYRFONUZIJQD-LLVKDONJSA-N 2 0 317.260 3.563 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000442996022 1014784620 /nfs/dbraw/zinc/78/46/20/1014784620.db2.gz GFVFDZKPUGOZPE-UHFFFAOYSA-N 2 0 314.395 3.835 20 0 DHADRP CS[C@H](C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001279485101 1014790026 /nfs/dbraw/zinc/79/00/26/1014790026.db2.gz AIBCHLSCXUSHGG-BPQIPLTHSA-N 2 0 321.534 3.681 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000443071521 1014798672 /nfs/dbraw/zinc/79/86/72/1014798672.db2.gz MRHMOFXBRXBMKM-CQSZACIVSA-N 2 0 307.507 3.752 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000581411941 1014795559 /nfs/dbraw/zinc/79/55/59/1014795559.db2.gz RGQYRFXWGLSUKA-OALUTQOASA-N 2 0 300.490 3.890 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000443062356 1014797413 /nfs/dbraw/zinc/79/74/13/1014797413.db2.gz UMZWUBJVNXVYHM-QGZVFWFLSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000443318894 1014870580 /nfs/dbraw/zinc/87/05/80/1014870580.db2.gz KKCCPHYMOQXRKW-GHMZBOCLSA-N 2 0 317.296 3.646 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000443443187 1014914539 /nfs/dbraw/zinc/91/45/39/1014914539.db2.gz YAHKMXAQIXCLBH-HOTGVXAUSA-N 2 0 309.457 3.566 20 0 DHADRP CCO[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001167467577 1014961055 /nfs/dbraw/zinc/96/10/55/1014961055.db2.gz LQZRCXVIQIUTJZ-FQEVSTJZSA-N 2 0 316.489 3.673 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000656683702 1015071834 /nfs/dbraw/zinc/07/18/34/1015071834.db2.gz OUUKXWQTXZXLOZ-QGZVFWFLSA-N 2 0 309.457 3.644 20 0 DHADRP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785592 1015156750 /nfs/dbraw/zinc/15/67/50/1015156750.db2.gz MLCLBLLZPUPNQO-HNNXBMFYSA-N 2 0 321.534 3.652 20 0 DHADRP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784212 1015157360 /nfs/dbraw/zinc/15/73/60/1015157360.db2.gz ZZGVJBQJXYWWTI-OAHLLOKOSA-N 2 0 321.534 3.652 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000684367086 1015157611 /nfs/dbraw/zinc/15/76/11/1015157611.db2.gz HKDRVTCICXVXPQ-UXHICEINSA-N 2 0 316.489 3.720 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC1 ZINC000895458854 1015164434 /nfs/dbraw/zinc/16/44/34/1015164434.db2.gz IKJGCRVCKBZZBK-HSALFYBXSA-N 2 0 316.464 3.564 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc(C2CC2)s1 ZINC000895683125 1015260963 /nfs/dbraw/zinc/26/09/63/1015260963.db2.gz IEEUOFNPIOPXSH-UHFFFAOYSA-N 2 0 307.507 3.718 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1OC(F)F ZINC000581824878 1015347386 /nfs/dbraw/zinc/34/73/86/1015347386.db2.gz IEGFEJBLFXHIAK-NSHDSACASA-N 2 0 324.346 3.737 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000474469030 1015376348 /nfs/dbraw/zinc/37/63/48/1015376348.db2.gz GGNVLVNZYBQMHK-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[NH+](C)C)cc1 ZINC000581853488 1015381574 /nfs/dbraw/zinc/38/15/74/1015381574.db2.gz GRTPHGNWHGZMAS-FQEVSTJZSA-N 2 0 312.457 3.520 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000474604595 1015486576 /nfs/dbraw/zinc/48/65/76/1015486576.db2.gz RBTBCFYQEJANIH-KURKYZTESA-N 2 0 318.505 3.899 20 0 DHADRP C[C@@H]1CC([N@@H+]2CCCO[C@H](C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168040984 1015543733 /nfs/dbraw/zinc/54/37/33/1015543733.db2.gz PQJVQZBNHANEQB-KZNAEPCWSA-N 2 0 316.489 3.539 20 0 DHADRP Cc1ccncc1CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000896391090 1015568680 /nfs/dbraw/zinc/56/86/80/1015568680.db2.gz KECFEWOKNTUQFN-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000453409034 1015583906 /nfs/dbraw/zinc/58/39/06/1015583906.db2.gz GZRWSBOZIAJZAC-NZSAHSFTSA-N 2 0 316.489 3.617 20 0 DHADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000474801752 1015606944 /nfs/dbraw/zinc/60/69/44/1015606944.db2.gz ZEIWGPLTKRURPF-FFGOWVMKSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000474816441 1015618663 /nfs/dbraw/zinc/61/86/63/1015618663.db2.gz KNILHDZGTYHPDT-ZACQAIPSSA-N 2 0 300.490 3.921 20 0 DHADRP CC(C)[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000479083039 1033644401 /nfs/dbraw/zinc/64/44/01/1033644401.db2.gz UJIPQXIWZLTFJB-GOSISDBHSA-N 2 0 310.432 3.983 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000474892826 1015691085 /nfs/dbraw/zinc/69/10/85/1015691085.db2.gz AMFPGZFXEMQHRO-PMACEKPBSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000684558333 1015738863 /nfs/dbraw/zinc/73/88/63/1015738863.db2.gz GIJONUUGGGZYAE-FNHZYXHNSA-N 2 0 304.453 3.782 20 0 DHADRP C[N@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]c3c(O)cccc23)C1 ZINC000684579256 1015782348 /nfs/dbraw/zinc/78/23/48/1015782348.db2.gz IEFBISXIPXYHLZ-QGZVFWFLSA-N 2 0 305.381 3.539 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000280914678 1015808907 /nfs/dbraw/zinc/80/89/07/1015808907.db2.gz QPMKDQPITRYFGZ-FXAWDEMLSA-N 2 0 315.505 3.880 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccccn2)CC1 ZINC000281005404 1015819264 /nfs/dbraw/zinc/81/92/64/1015819264.db2.gz NBFYMGSRDOGYHY-UHFFFAOYSA-N 2 0 323.484 3.657 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000281040364 1015823851 /nfs/dbraw/zinc/82/38/51/1015823851.db2.gz ZHXWVWWSKSXYAW-FQEVSTJZSA-N 2 0 318.505 3.517 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc(C4CCCCC4)n3)C[C@H]21 ZINC000342092731 1015952656 /nfs/dbraw/zinc/95/26/56/1015952656.db2.gz VWODUAWKRPXMLG-USXIJHARSA-N 2 0 319.518 3.750 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000151104534 1016018618 /nfs/dbraw/zinc/01/86/18/1016018618.db2.gz FDZITZVDIXKDNE-SJLPKXTDSA-N 2 0 302.462 3.530 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657284564 1016187281 /nfs/dbraw/zinc/18/72/81/1016187281.db2.gz QFKGFZZIFLLCDS-GFCCVEGCSA-N 2 0 302.384 3.704 20 0 DHADRP CCSC[C@H](C)[NH+]1CCC(N(C)Cc2cccc(F)c2)CC1 ZINC001173314410 1033705220 /nfs/dbraw/zinc/70/52/20/1033705220.db2.gz IJMGFHAUNZANDJ-HNNXBMFYSA-N 2 0 324.509 3.864 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(F)F)c(F)c2)[C@H](C)C1 ZINC000892104376 1016229961 /nfs/dbraw/zinc/22/99/61/1016229961.db2.gz BZVABHSIOQFEIQ-MLGOLLRUSA-N 2 0 314.395 3.925 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(F)F)c(F)c2)[C@@H](C)C1 ZINC000892104365 1016230087 /nfs/dbraw/zinc/23/00/87/1016230087.db2.gz BZVABHSIOQFEIQ-BLLLJJGKSA-N 2 0 314.395 3.925 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657311206 1016281283 /nfs/dbraw/zinc/28/12/83/1016281283.db2.gz IDZWGDGGYCVKHP-CYBMUJFWSA-N 2 0 314.395 3.848 20 0 DHADRP COCc1csc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000657311622 1016289895 /nfs/dbraw/zinc/28/98/95/1016289895.db2.gz PPNUOGVTWDIPGT-HNNXBMFYSA-N 2 0 310.507 3.639 20 0 DHADRP COCc1csc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000657311623 1016290693 /nfs/dbraw/zinc/29/06/93/1016290693.db2.gz PPNUOGVTWDIPGT-OAHLLOKOSA-N 2 0 310.507 3.639 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657311831 1016293808 /nfs/dbraw/zinc/29/38/08/1016293808.db2.gz WMNCIGDSRBDDBF-ZDUSSCGKSA-N 2 0 314.395 3.706 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)c2cccc(Br)c21 ZINC000151945060 1016297733 /nfs/dbraw/zinc/29/77/33/1016297733.db2.gz WAKUTWHNKRFEFD-BXUZGUMPSA-N 2 0 311.267 3.539 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000056524745 1016349983 /nfs/dbraw/zinc/34/99/83/1016349983.db2.gz ZOLGKBVLWAWCHG-UHFFFAOYSA-N 2 0 313.445 3.505 20 0 DHADRP C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926372675 1016380098 /nfs/dbraw/zinc/38/00/98/1016380098.db2.gz QGKXYCWPTBSJLU-ZACQAIPSSA-N 2 0 318.505 3.993 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(F)cn2)CC1)CC1CC1 ZINC000346488133 1016416799 /nfs/dbraw/zinc/41/67/99/1016416799.db2.gz HEMVKUZWOLGWIP-UHFFFAOYSA-N 2 0 319.468 3.555 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCCO1 ZINC000346555760 1016453827 /nfs/dbraw/zinc/45/38/27/1016453827.db2.gz PJMOUAVXUMXABP-FXAWDEMLSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000346651107 1016484775 /nfs/dbraw/zinc/48/47/75/1016484775.db2.gz GYMVCUPVTQZATA-GXTWGEPZSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccs3)cc2)CC[N@@H+]1C ZINC000657375232 1016526359 /nfs/dbraw/zinc/52/63/59/1016526359.db2.gz FMVCDYCZJUFVCH-PBHICJAKSA-N 2 0 300.471 3.987 20 0 DHADRP CO[C@@H](c1ccc(-c2ccc(C[NH+](C)C)c(F)c2)cc1)[C@H](C)[NH3+] ZINC000629708475 1016583246 /nfs/dbraw/zinc/58/32/46/1016583246.db2.gz HSFCTORSIVGSSN-ORAYPTAESA-N 2 0 316.420 3.589 20 0 DHADRP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([C@H]([NH3+])CO)c2)cc1 ZINC000629707416 1016584265 /nfs/dbraw/zinc/58/42/65/1016584265.db2.gz KVHAKERADAELHB-LEWJYISDSA-N 2 0 324.468 3.720 20 0 DHADRP COc1cc(C)ccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629753991 1016683184 /nfs/dbraw/zinc/68/31/84/1016683184.db2.gz JFESYTOBWBLBHS-UHFFFAOYSA-N 2 0 310.441 3.594 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347032552 1016701641 /nfs/dbraw/zinc/70/16/41/1016701641.db2.gz ACCBHUVASIEPTG-INIZCTEOSA-N 2 0 312.457 3.798 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CC[C@@H]1[NH3+] ZINC000347053098 1016706665 /nfs/dbraw/zinc/70/66/65/1016706665.db2.gz RYQMODYYROTSQE-WBMJQRKESA-N 2 0 304.434 3.723 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000045662714 1016711088 /nfs/dbraw/zinc/71/10/88/1016711088.db2.gz QBMFCBNPIZHNJK-LBPRGKRZSA-N 2 0 304.356 3.578 20 0 DHADRP Fc1ccc2oc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2c1 ZINC000347114224 1016739371 /nfs/dbraw/zinc/73/93/71/1016739371.db2.gz SUGCPAMBNPMBSS-KRWDZBQOSA-N 2 0 302.393 3.536 20 0 DHADRP Cc1nccn1CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000342584241 1016807814 /nfs/dbraw/zinc/80/78/14/1016807814.db2.gz QQFYKROBUVOUGN-OAQYLSRUSA-N 2 0 317.436 3.839 20 0 DHADRP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000342597888 1016830682 /nfs/dbraw/zinc/83/06/82/1016830682.db2.gz QEBFGFXHXYZMOV-LPHOPBHVSA-N 2 0 318.505 3.558 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671309158 1016941125 /nfs/dbraw/zinc/94/11/25/1016941125.db2.gz FBFHEZCNRGDHTA-UHFFFAOYSA-N 2 0 320.440 3.943 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000896952514 1016958353 /nfs/dbraw/zinc/95/83/53/1016958353.db2.gz YHXRFGBXFPKKQW-UHFFFAOYSA-N 2 0 308.853 3.542 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343266 1016972498 /nfs/dbraw/zinc/97/24/98/1016972498.db2.gz JKWWAYMXXUWMKV-FUHWJXTLSA-N 2 0 304.478 3.855 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2csc3ccccc23)CC1 ZINC000475122957 1016984076 /nfs/dbraw/zinc/98/40/76/1016984076.db2.gz VPUVZIBARBWPMK-UHFFFAOYSA-N 2 0 300.471 3.962 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccncc2Cl)C1 ZINC000623358759 1016986643 /nfs/dbraw/zinc/98/66/43/1016986643.db2.gz QTYVRLMAPQGFGL-GJZGRUSLSA-N 2 0 309.885 3.583 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccc3n[nH]cc32)c1 ZINC000623362462 1016988514 /nfs/dbraw/zinc/98/85/14/1016988514.db2.gz VJLFLBWRTXTKLK-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP C[N@@H+]1CC[C@@H](NCc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623376916 1017000990 /nfs/dbraw/zinc/00/09/90/1017000990.db2.gz HOGHWGBKZCRGKR-GFCCVEGCSA-N 2 0 323.893 3.912 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)c2ccccc21 ZINC000152798724 1017015608 /nfs/dbraw/zinc/01/56/08/1017015608.db2.gz ANIQDUWIMPLKRJ-HNAYVOBHSA-N 2 0 309.457 3.990 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623402843 1017024368 /nfs/dbraw/zinc/02/43/68/1017024368.db2.gz BXFOQNCDSKJNTR-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623430095 1017041655 /nfs/dbraw/zinc/04/16/55/1017041655.db2.gz ARHNYRPKXYTIJL-WBVHZDCISA-N 2 0 304.478 3.651 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623432477 1017045246 /nfs/dbraw/zinc/04/52/46/1017045246.db2.gz UIEZLFJBSVGWAZ-KBPBESRZSA-N 2 0 310.869 3.570 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623437799 1017057210 /nfs/dbraw/zinc/05/72/10/1017057210.db2.gz ZQVGNHMXGKUIMJ-OTWHNJEPSA-N 2 0 316.489 3.678 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000361921338 1032155555 /nfs/dbraw/zinc/15/55/55/1032155555.db2.gz BCNQJMKUQZTWHK-FRQCXROJSA-N 2 0 304.478 3.571 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CCCO2 ZINC000361967862 1032175505 /nfs/dbraw/zinc/17/55/05/1032175505.db2.gz NKQAGQYBYPHVRO-YQVWRLOYSA-N 2 0 316.489 3.980 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001168312225 1032204483 /nfs/dbraw/zinc/20/44/83/1032204483.db2.gz LZXRXCNKRYKQFE-WTNGLUPJSA-N 2 0 308.416 3.805 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000294950124 1032223904 /nfs/dbraw/zinc/22/39/04/1032223904.db2.gz HNBNMVSREHQVFC-JZIBPQBNSA-N 2 0 308.466 3.823 20 0 DHADRP C(CC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1)C[NH+]1CCCC1 ZINC001168318068 1032235115 /nfs/dbraw/zinc/23/51/15/1032235115.db2.gz XOQDBDYGECGYOC-LJQANCHMSA-N 2 0 320.521 3.534 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493426 1017071759 /nfs/dbraw/zinc/07/17/59/1017071759.db2.gz DWEZAGDMDIZUAB-IRXDYDNUSA-N 2 0 316.489 3.578 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC1(C)C ZINC000623478722 1017074801 /nfs/dbraw/zinc/07/48/01/1017074801.db2.gz WPWNWECAEOMUKJ-AWEZNQCLSA-N 2 0 324.871 3.973 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000623509579 1017075175 /nfs/dbraw/zinc/07/51/75/1017075175.db2.gz JHQHHLBXRKJBPY-QGZVFWFLSA-N 2 0 304.478 3.535 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000248125823 1017080034 /nfs/dbraw/zinc/08/00/34/1017080034.db2.gz NWXCGAIVJBZWOG-NHYWBVRUSA-N 2 0 313.272 3.912 20 0 DHADRP Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168322906 1032267840 /nfs/dbraw/zinc/26/78/40/1032267840.db2.gz IRBDEJDDGQLGRY-CTWPCTMYSA-N 2 0 316.489 3.711 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324436 1032271185 /nfs/dbraw/zinc/27/11/85/1032271185.db2.gz OOLLFOXBGLJJCY-LEOMRAHMSA-N 2 0 302.462 3.705 20 0 DHADRP COc1ccc(Cl)c2c1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CC2 ZINC001171297371 1032283940 /nfs/dbraw/zinc/28/39/40/1032283940.db2.gz FWMTWBATUQHPRV-CYBMUJFWSA-N 2 0 324.896 3.526 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(Sc3ccncc3)CC2)CC1 ZINC001168327889 1032297167 /nfs/dbraw/zinc/29/71/67/1032297167.db2.gz SCZSXTPVBGAKLC-UHFFFAOYSA-N 2 0 319.518 3.511 20 0 DHADRP COc1cccc([C@@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)c1 ZINC001168328128 1032299853 /nfs/dbraw/zinc/29/98/53/1032299853.db2.gz WNNAVEUREIQBJV-TVPLGVNVSA-N 2 0 302.462 3.705 20 0 DHADRP [NH3+]CCSCC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168335985 1032355728 /nfs/dbraw/zinc/35/57/28/1032355728.db2.gz UTNZJYMTGNJSOS-UHFFFAOYSA-N 2 0 312.910 3.648 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000120688000 1032392521 /nfs/dbraw/zinc/39/25/21/1032392521.db2.gz GQYAKYBMRXGUJB-FQEVSTJZSA-N 2 0 316.489 3.685 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccn2CCC(C)C)[C@@H](C)C1 ZINC000537635199 1032424028 /nfs/dbraw/zinc/42/40/28/1032424028.db2.gz VZEFPESKIBOPLY-PKOBYXMFSA-N 2 0 305.510 3.696 20 0 DHADRP C[N@@H+]1CCC[C@H](CN[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000121221117 1032429472 /nfs/dbraw/zinc/42/94/72/1032429472.db2.gz WZKKEBXUPZBDPG-UZLBHIALSA-N 2 0 312.432 3.847 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC000623502988 1017082655 /nfs/dbraw/zinc/08/26/55/1017082655.db2.gz GVXFRBOIMNQQNQ-FHWLQOOXSA-N 2 0 300.490 3.860 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000121657044 1032461661 /nfs/dbraw/zinc/46/16/61/1032461661.db2.gz MMIWFQPZZHBHSU-LJQANCHMSA-N 2 0 303.494 3.880 20 0 DHADRP c1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066341 1032472836 /nfs/dbraw/zinc/47/28/36/1032472836.db2.gz JNFLFHYSTDLSGK-DNVCBOLYSA-N 2 0 310.441 3.882 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1OC ZINC000623525604 1017090494 /nfs/dbraw/zinc/09/04/94/1017090494.db2.gz UCVKJJRVNKYELV-GJZGRUSLSA-N 2 0 320.477 3.536 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171348879 1032508791 /nfs/dbraw/zinc/50/87/91/1032508791.db2.gz FMBYVWHAFZLKBS-KRWDZBQOSA-N 2 0 322.443 3.532 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)CC(C)(C)CC[NH3+] ZINC001171356264 1032514000 /nfs/dbraw/zinc/51/40/00/1032514000.db2.gz ZJJMKKARHBXCMB-XJKSGUPXSA-N 2 0 324.459 3.813 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccn2C)CC1 ZINC000093844602 1032560821 /nfs/dbraw/zinc/56/08/21/1032560821.db2.gz FMWJOJSGQDNTMJ-QGZVFWFLSA-N 2 0 303.494 3.502 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000122654287 1032567601 /nfs/dbraw/zinc/56/76/01/1032567601.db2.gz NSQRNKKVEPZMGR-LJQANCHMSA-N 2 0 303.494 3.880 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000537647477 1032575574 /nfs/dbraw/zinc/57/55/74/1032575574.db2.gz LMKSPOCHPWPFHO-LHRDXKRPSA-N 2 0 302.437 3.503 20 0 DHADRP CC[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000537647427 1032576779 /nfs/dbraw/zinc/57/67/79/1032576779.db2.gz GVPBWULXTDTWBH-MOPGFXCFSA-N 2 0 300.490 3.844 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171401273 1032588782 /nfs/dbraw/zinc/58/87/82/1032588782.db2.gz LFODZCVUHOIJMV-WBVHZDCISA-N 2 0 306.469 3.783 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171400053 1032585929 /nfs/dbraw/zinc/58/59/29/1032585929.db2.gz CBRTXEZZPPJSHX-RDJZCZTQSA-N 2 0 304.453 3.537 20 0 DHADRP C[C@H]([NH3+])c1ccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000424079671 1011896156 /nfs/dbraw/zinc/89/61/56/1011896156.db2.gz RMPSPWDKHWGAHE-WMLDXEAASA-N 2 0 317.477 3.723 20 0 DHADRP CC[N@H+](Cc1sc(C)nc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000349016533 1011948921 /nfs/dbraw/zinc/94/89/21/1011948921.db2.gz ZUASLHAYURPWME-UHFFFAOYSA-N 2 0 317.502 3.844 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)C[C@H]2C1 ZINC000424272499 1011965743 /nfs/dbraw/zinc/96/57/43/1011965743.db2.gz UKXGFIHLHUHZLG-NQSUBMFWSA-N 2 0 322.537 3.536 20 0 DHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424313195 1011972307 /nfs/dbraw/zinc/97/23/07/1011972307.db2.gz NHMCTMXTBXAQEU-PMACEKPBSA-N 2 0 322.537 3.562 20 0 DHADRP CC[C@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000647936776 1012033171 /nfs/dbraw/zinc/03/31/71/1012033171.db2.gz LAOLYQLKVFISLJ-JXFKEZNVSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761337 1012075478 /nfs/dbraw/zinc/07/54/78/1012075478.db2.gz WYWZTEURHZGIJN-JSGCOSHPSA-N 2 0 315.288 3.985 20 0 DHADRP FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647992468 1012099581 /nfs/dbraw/zinc/09/95/81/1012099581.db2.gz COMTVGLMNDFWHF-INWMFGNUSA-N 2 0 312.379 3.541 20 0 DHADRP CC[NH+](CC)CCC[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000683141845 1012105226 /nfs/dbraw/zinc/10/52/26/1012105226.db2.gz WYIGGUGAKUKADD-UXHICEINSA-N 2 0 318.505 3.818 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643547170 1012113471 /nfs/dbraw/zinc/11/34/71/1012113471.db2.gz ANSWJPZPVGFTCY-AEFFLSMTSA-N 2 0 314.473 3.781 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548393 1012116494 /nfs/dbraw/zinc/11/64/94/1012116494.db2.gz OQTKCCYUTNRKIG-RDTXWAMCSA-N 2 0 314.473 3.682 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643549057 1012120800 /nfs/dbraw/zinc/12/08/00/1012120800.db2.gz ZQHCJAABCXAPLX-CZUORRHYSA-N 2 0 308.416 3.550 20 0 DHADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000643547902 1012121973 /nfs/dbraw/zinc/12/19/73/1012121973.db2.gz KNDSDBUCHRCYAK-YOEHRIQHSA-N 2 0 308.416 3.926 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954503 1032605336 /nfs/dbraw/zinc/60/53/36/1032605336.db2.gz WLEBEMLIIMJTSV-XHDPSFHLSA-N 2 0 313.272 3.656 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955398 1032611729 /nfs/dbraw/zinc/61/17/29/1032611729.db2.gz GJZJTGBIQSWTSH-OAHLLOKOSA-N 2 0 313.272 3.658 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411901 1032615033 /nfs/dbraw/zinc/61/50/33/1032615033.db2.gz PHMCZKZOHODIHI-QGZVFWFLSA-N 2 0 316.464 3.667 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411899 1032615811 /nfs/dbraw/zinc/61/58/11/1032615811.db2.gz PHMCZKZOHODIHI-KRWDZBQOSA-N 2 0 316.464 3.667 20 0 DHADRP CSC1(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCC1 ZINC000877718113 1033421426 /nfs/dbraw/zinc/42/14/26/1033421426.db2.gz FDAHJCZLIDBNJO-UHFFFAOYSA-N 2 0 318.530 3.525 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171412898 1032619286 /nfs/dbraw/zinc/61/92/86/1032619286.db2.gz AHAKZMQJMLFYSZ-KBAYOESNSA-N 2 0 316.464 3.807 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000075007707 1012364879 /nfs/dbraw/zinc/36/48/79/1012364879.db2.gz SVXVQBOOBFDDPC-MRXNPFEDSA-N 2 0 322.468 3.710 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](C)CCCOc2cccc(Cl)c2)CCN1C ZINC000123140489 1032625264 /nfs/dbraw/zinc/62/52/64/1032625264.db2.gz LXSPUIIFJGXZOW-ZBFHGGJFSA-N 2 0 310.869 3.523 20 0 DHADRP Fc1ccc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000514734861 1012425577 /nfs/dbraw/zinc/42/55/77/1012425577.db2.gz VPYLAZWXCYDGDS-UHFFFAOYSA-N 2 0 324.871 3.829 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(Sc3ccccc3)CC2)C1 ZINC001208618136 1012483739 /nfs/dbraw/zinc/48/37/39/1012483739.db2.gz RZMJJWJICRWYBT-INIZCTEOSA-N 2 0 304.503 3.585 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000514930471 1012511559 /nfs/dbraw/zinc/51/15/59/1012511559.db2.gz HZVBADWMORNPOP-GFCCVEGCSA-N 2 0 320.424 3.991 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2CC(F)(F)F)CCN1C ZINC000638115173 1012546202 /nfs/dbraw/zinc/54/62/02/1012546202.db2.gz AZEHUGRVUVWLGB-CJNGLKHVSA-N 2 0 314.395 3.706 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000515251211 1012585347 /nfs/dbraw/zinc/58/53/47/1012585347.db2.gz CVYQFWLIXGYLHC-MJGOQNOKSA-N 2 0 310.526 3.636 20 0 DHADRP Fc1ccc(Cl)cc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960767 1012737585 /nfs/dbraw/zinc/73/75/85/1012737585.db2.gz BVHRRAJAJHCQDV-ALOPSCKCSA-N 2 0 322.855 3.974 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(F)ccc1F ZINC000123602148 1032654406 /nfs/dbraw/zinc/65/44/06/1032654406.db2.gz CCMGEUVGBFRGIS-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123644292 1032656687 /nfs/dbraw/zinc/65/66/87/1032656687.db2.gz JIWSZEJLYDHFFM-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP FCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000516883293 1012855618 /nfs/dbraw/zinc/85/56/18/1012855618.db2.gz UZFUFKQWDMKEBL-GUDVDZBRSA-N 2 0 304.453 3.626 20 0 DHADRP C[C@H](C[NH2+][C@H](C)Cc1c(Cl)cccc1Cl)C[NH+](C)C ZINC000425918657 1012957159 /nfs/dbraw/zinc/95/71/59/1012957159.db2.gz ICNGOSKPRYRFBG-VXGBXAGGSA-N 2 0 303.277 3.712 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000517228198 1012938076 /nfs/dbraw/zinc/93/80/76/1012938076.db2.gz KCZVGMFXJUVXSP-CABCVRRESA-N 2 0 310.432 3.606 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c2ccccc12 ZINC000425939858 1012982193 /nfs/dbraw/zinc/98/21/93/1012982193.db2.gz FALVZNGQNMMKBZ-CABCVRRESA-N 2 0 300.446 3.697 20 0 DHADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475283048 1017115400 /nfs/dbraw/zinc/11/54/00/1017115400.db2.gz SSRMNIQKGXYFKA-GDBMZVCRSA-N 2 0 314.395 3.829 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000475287843 1017117693 /nfs/dbraw/zinc/11/76/93/1017117693.db2.gz PPSIGVFDAONVNL-DENIHFKCSA-N 2 0 322.496 3.977 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)cc1 ZINC000153013436 1017152794 /nfs/dbraw/zinc/15/27/94/1017152794.db2.gz OPRFFLYCUDBUOJ-KGLIPLIRSA-N 2 0 323.444 3.634 20 0 DHADRP CCC1([NH+](C)C)CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000631477776 1017162494 /nfs/dbraw/zinc/16/24/94/1017162494.db2.gz RQCHUSJRNBLKIZ-UHFFFAOYSA-N 2 0 301.409 3.685 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716649019 1032700496 /nfs/dbraw/zinc/70/04/96/1032700496.db2.gz HMOMHMDBSITWOK-MDNKFWRPSA-N 2 0 324.468 3.853 20 0 DHADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685983 1032703301 /nfs/dbraw/zinc/70/33/01/1032703301.db2.gz YSIQMEAUYNBDOL-UJCHZGTJSA-N 2 0 316.514 3.523 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)CN1C1CC1 ZINC000623834420 1017531551 /nfs/dbraw/zinc/53/15/51/1017531551.db2.gz XQBDVXMXLWLNND-OCCSQVGLSA-N 2 0 317.864 3.579 20 0 DHADRP C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CC(F)F ZINC000716727111 1032705928 /nfs/dbraw/zinc/70/59/28/1032705928.db2.gz IDLCXPVKRNFXTC-UBDQQSCGSA-N 2 0 322.443 3.920 20 0 DHADRP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000623866498 1017539907 /nfs/dbraw/zinc/53/99/07/1017539907.db2.gz YGUFETCAPWTJBP-OGHNNQOOSA-N 2 0 308.828 3.683 20 0 DHADRP Cc1csc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000623863863 1017540747 /nfs/dbraw/zinc/54/07/47/1017540747.db2.gz AQKYAKVKOYSLDE-DZKIICNBSA-N 2 0 309.523 3.860 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1C(F)(F)F ZINC000623878165 1017551871 /nfs/dbraw/zinc/55/18/71/1017551871.db2.gz ABVAPMJAIUQQJG-NSHDSACASA-N 2 0 306.347 3.837 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613180 1017574371 /nfs/dbraw/zinc/57/43/71/1017574371.db2.gz HOBDPGMNNCZWMA-XLIONFOSSA-N 2 0 315.505 3.710 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857902871 1032710402 /nfs/dbraw/zinc/71/04/02/1032710402.db2.gz WOXQMZIAYDLASL-GDBMZVCRSA-N 2 0 321.896 3.967 20 0 DHADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444625218 1017597999 /nfs/dbraw/zinc/59/79/99/1017597999.db2.gz NZEBAFGOFBEHJZ-HXUWFJFHSA-N 2 0 300.490 3.878 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623960484 1017606675 /nfs/dbraw/zinc/60/66/75/1017606675.db2.gz YWGKAAXAOKYYCW-VBQJREDUSA-N 2 0 324.896 3.878 20 0 DHADRP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000624049827 1017657905 /nfs/dbraw/zinc/65/79/05/1017657905.db2.gz QTNVTWPOOBPBAW-YSIASYRMSA-N 2 0 318.505 3.692 20 0 DHADRP Cc1nc(C)c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000120048775 1017686984 /nfs/dbraw/zinc/68/69/84/1017686984.db2.gz JJPICFVNJBQAFZ-YOEHRIQHSA-N 2 0 321.534 3.846 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120734 1017693096 /nfs/dbraw/zinc/69/30/96/1017693096.db2.gz FTQJGLOAAIROID-ZFWWWQNUSA-N 2 0 309.523 3.957 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122624 1017696206 /nfs/dbraw/zinc/69/62/06/1017696206.db2.gz XACLEWUHLNZWSJ-CVEARBPZSA-N 2 0 306.519 3.661 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123135 1017696979 /nfs/dbraw/zinc/69/69/79/1017696979.db2.gz GLYWCADBPJDPKF-HZPDHXFCSA-N 2 0 300.446 3.685 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(C)CC1(F)F ZINC000657665352 1017706535 /nfs/dbraw/zinc/70/65/35/1017706535.db2.gz OBXOIEJSBYHJPQ-KRWDZBQOSA-N 2 0 310.432 3.780 20 0 DHADRP Fc1cc2c(cc1F)C[C@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC001171463402 1032722917 /nfs/dbraw/zinc/72/29/17/1032722917.db2.gz RUJHAWIWKARDPC-QGZVFWFLSA-N 2 0 322.443 3.678 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000643344985 1017791579 /nfs/dbraw/zinc/79/15/79/1017791579.db2.gz DISWOUCTLNTFDN-UONOGXRCSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2OCC3)CC1 ZINC000926914976 1032724405 /nfs/dbraw/zinc/72/44/05/1032724405.db2.gz CPODKVPSNYJZKL-VBSBHUPXSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)C1CC[NH+](C)CC1 ZINC000125934781 1017846993 /nfs/dbraw/zinc/84/69/93/1017846993.db2.gz OBTBMVAOIUIFCC-QGZVFWFLSA-N 2 0 300.490 3.818 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182061200 1017856721 /nfs/dbraw/zinc/85/67/21/1017856721.db2.gz ZZOQLAXSCUEFIX-UHFFFAOYSA-N 2 0 316.489 3.703 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358795056 1017887244 /nfs/dbraw/zinc/88/72/44/1017887244.db2.gz ZSSLHPYNXCSYQF-ZFWWWQNUSA-N 2 0 300.368 3.582 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1Br ZINC000235495194 1017891757 /nfs/dbraw/zinc/89/17/57/1017891757.db2.gz KRWWDGVZOQXZSH-GCVQQVDUSA-N 2 0 315.230 3.509 20 0 DHADRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC001204599203 1017907659 /nfs/dbraw/zinc/90/76/59/1017907659.db2.gz UCBQSKDXPIEJOW-BETUJISGSA-N 2 0 307.507 3.681 20 0 DHADRP Fc1ccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000161483778 1017934638 /nfs/dbraw/zinc/93/46/38/1017934638.db2.gz QEWPLKGZUCKDAT-UHFFFAOYSA-N 2 0 304.453 3.881 20 0 DHADRP CCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445757154 1017966825 /nfs/dbraw/zinc/96/68/25/1017966825.db2.gz GKSGITGDWNQDRH-LPHOPBHVSA-N 2 0 300.490 3.992 20 0 DHADRP C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000624259999 1017969005 /nfs/dbraw/zinc/96/90/05/1017969005.db2.gz AMEZOFYJIJQTQR-SNVBAGLBSA-N 2 0 306.397 3.587 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000183606714 1018033129 /nfs/dbraw/zinc/03/31/29/1018033129.db2.gz BLGKXPLVEFDSEN-HSALFYBXSA-N 2 0 323.569 3.693 20 0 DHADRP CC(C)(C)N1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658095241 1018065013 /nfs/dbraw/zinc/06/50/13/1018065013.db2.gz FOOFLHFCEFRTSL-PQUAAJSLSA-N 2 0 308.510 3.719 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658134816 1018123568 /nfs/dbraw/zinc/12/35/68/1018123568.db2.gz CASPJNMTLSPKHB-APWZRJJASA-N 2 0 318.505 3.558 20 0 DHADRP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673801 1018124841 /nfs/dbraw/zinc/12/48/41/1018124841.db2.gz WRCNZGWKBCARQY-DOTOQJQBSA-N 2 0 304.453 3.877 20 0 DHADRP C[C@H](N[C@@H]1CCCc2occc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193276788 1018272333 /nfs/dbraw/zinc/27/23/33/1018272333.db2.gz JPXORLDKZXKWAU-HDMKZQKVSA-N 2 0 302.462 3.900 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC2CCC1CC2 ZINC000381891868 1018285114 /nfs/dbraw/zinc/28/51/14/1018285114.db2.gz LLSAKMDDZDTAPQ-QVUWHDNHSA-N 2 0 313.489 3.855 20 0 DHADRP CC(C)C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccncc1 ZINC000647283863 1018291971 /nfs/dbraw/zinc/29/19/71/1018291971.db2.gz QBVHCBHHUBLWAX-IBGZPJMESA-N 2 0 301.478 3.633 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000658236424 1018318723 /nfs/dbraw/zinc/31/87/23/1018318723.db2.gz VUJXHUVAWDIYGA-UZLBHIALSA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658247901 1018349797 /nfs/dbraw/zinc/34/97/97/1018349797.db2.gz AEPZHFMFBIDTFV-DLBZAZTESA-N 2 0 322.537 3.559 20 0 DHADRP Fc1cc(F)cc(C2CC([NH2+]CC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000367373765 1018353804 /nfs/dbraw/zinc/35/38/04/1018353804.db2.gz XXXZWDTVXOUDKC-UHFFFAOYSA-N 2 0 320.427 3.675 20 0 DHADRP C[C@@H](CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000447726538 1018461219 /nfs/dbraw/zinc/46/12/19/1018461219.db2.gz HDBRFHBRJLYTND-OALUTQOASA-N 2 0 300.490 3.988 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261837848 1018463997 /nfs/dbraw/zinc/46/39/97/1018463997.db2.gz YFGRPEUEKBIQPI-CXAGYDPISA-N 2 0 324.415 3.813 20 0 DHADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583491636 1018504267 /nfs/dbraw/zinc/50/42/67/1018504267.db2.gz JYBXRHJECKNIBC-OTWHNJEPSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000635004146 1018510200 /nfs/dbraw/zinc/51/02/00/1018510200.db2.gz CLTDWROSKVPROI-DZKIICNBSA-N 2 0 315.486 3.978 20 0 DHADRP CCCC1CCC(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650708355 1018524235 /nfs/dbraw/zinc/52/42/35/1018524235.db2.gz YFVNYTGYRBPLIL-VWAQSERHSA-N 2 0 322.537 3.811 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000657766892 1018526315 /nfs/dbraw/zinc/52/63/15/1018526315.db2.gz FPHXSEXDTMVNFZ-LJQANCHMSA-N 2 0 308.510 3.578 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717941 1018561110 /nfs/dbraw/zinc/56/11/10/1018561110.db2.gz REXMVGMEYBRQQO-ZDUSSCGKSA-N 2 0 318.461 3.727 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000650718404 1018563337 /nfs/dbraw/zinc/56/33/37/1018563337.db2.gz KTLUKKPRCMOTBS-UHFFFAOYSA-N 2 0 312.310 3.593 20 0 DHADRP CC(C)[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000675771134 1018586110 /nfs/dbraw/zinc/58/61/10/1018586110.db2.gz LLSPSJVVGAMEQV-FQEVSTJZSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000675774993 1018586821 /nfs/dbraw/zinc/58/68/21/1018586821.db2.gz SVZABYDNPOHRBY-INIZCTEOSA-N 2 0 318.505 3.683 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000675786957 1018591376 /nfs/dbraw/zinc/59/13/76/1018591376.db2.gz NAWMAHDJLXQBAC-PMACEKPBSA-N 2 0 318.505 3.549 20 0 DHADRP CC(C)CCOc1ccccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675801117 1018596335 /nfs/dbraw/zinc/59/63/35/1018596335.db2.gz WNBVBDOAMFJQHE-KRWDZBQOSA-N 2 0 318.505 3.931 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000675818749 1018601551 /nfs/dbraw/zinc/60/15/51/1018601551.db2.gz KRCJIMACSQLZLH-JKSUJKDBSA-N 2 0 304.478 3.509 20 0 DHADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(Br)c1 ZINC000650743471 1018633819 /nfs/dbraw/zinc/63/38/19/1018633819.db2.gz UCNCDFRPQNQLPB-CQSZACIVSA-N 2 0 311.267 3.619 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650745617 1018642490 /nfs/dbraw/zinc/64/24/90/1018642490.db2.gz KPVVFQJGBZUSNK-OAHLLOKOSA-N 2 0 308.853 3.581 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCOC1(C)C ZINC000657786097 1018644737 /nfs/dbraw/zinc/64/47/37/1018644737.db2.gz QTGLMFYEXVHBCD-GOSISDBHSA-N 2 0 318.505 3.549 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171559718 1032780900 /nfs/dbraw/zinc/78/09/00/1032780900.db2.gz KZVMNWUXZTWPHC-FQEVSTJZSA-N 2 0 314.517 3.954 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000650755395 1018684180 /nfs/dbraw/zinc/68/41/80/1018684180.db2.gz DGJHQGOBVFOGQG-SFHVURJKSA-N 2 0 318.848 3.537 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000650756554 1018686177 /nfs/dbraw/zinc/68/61/77/1018686177.db2.gz DNLSNNLUIIENOZ-LJQANCHMSA-N 2 0 310.441 3.718 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(F)cc1F ZINC000650758548 1018691313 /nfs/dbraw/zinc/69/13/13/1018691313.db2.gz RZJRFEYQJITMML-GOSISDBHSA-N 2 0 304.384 3.925 20 0 DHADRP CCOc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000278439229 1018693619 /nfs/dbraw/zinc/69/36/19/1018693619.db2.gz LHULDSWBFGUYBF-UHFFFAOYSA-N 2 0 308.441 3.529 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C)C2 ZINC001171564148 1032783065 /nfs/dbraw/zinc/78/30/65/1032783065.db2.gz UIYLLZZLPOBBAF-XKGZKEIXSA-N 2 0 300.490 3.561 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001171561114 1032783369 /nfs/dbraw/zinc/78/33/69/1032783369.db2.gz WTSIGKDEWYNBPO-IBGZPJMESA-N 2 0 312.501 3.706 20 0 DHADRP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCSC1 ZINC000278523502 1018780201 /nfs/dbraw/zinc/78/02/01/1018780201.db2.gz YMGHDTAXHOXQTG-MOPGFXCFSA-N 2 0 318.530 3.584 20 0 DHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261858165 1018794511 /nfs/dbraw/zinc/79/45/11/1018794511.db2.gz FMYDCXMFHWCBBX-NWDGAFQWSA-N 2 0 316.367 3.705 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C(C)(C)O1 ZINC000765451657 1018794631 /nfs/dbraw/zinc/79/46/31/1018794631.db2.gz COCOMZKYXPDHQS-GOSISDBHSA-N 2 0 322.537 3.967 20 0 DHADRP COCCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000282152441 1018827352 /nfs/dbraw/zinc/82/73/52/1018827352.db2.gz CTOIKTZSLXZHDJ-LJQANCHMSA-N 2 0 322.468 3.756 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1cc(Br)ccc1F ZINC000710804133 1018853202 /nfs/dbraw/zinc/85/32/02/1018853202.db2.gz LEEIJINDGSZLHL-UHFFFAOYSA-N 2 0 317.246 3.539 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)CC(F)F ZINC000647319583 1018860286 /nfs/dbraw/zinc/86/02/86/1018860286.db2.gz DXKDRVIVDBAVAB-HOTGVXAUSA-N 2 0 324.459 3.963 20 0 DHADRP COc1ccc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)s2)cc1 ZINC001205041184 1018862230 /nfs/dbraw/zinc/86/22/30/1018862230.db2.gz OLUHUXVPEFHWDS-UHFFFAOYSA-N 2 0 316.470 3.594 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2(Cc3ccccn3)CCC2)CC1(C)C ZINC001171631274 1032796375 /nfs/dbraw/zinc/79/63/75/1032796375.db2.gz WXADJWYNPAGJOI-UHFFFAOYSA-N 2 0 315.505 3.788 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@]2(C)CCCS2)C1 ZINC000628156282 1018886723 /nfs/dbraw/zinc/88/67/23/1018886723.db2.gz KDMATFAJHSQQTL-SQNIBIBYSA-N 2 0 310.551 3.859 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000151543236 1018899554 /nfs/dbraw/zinc/89/95/54/1018899554.db2.gz OCEVEMLAOGGFRG-HFAKWTLXSA-N 2 0 301.261 3.812 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205058500 1018917980 /nfs/dbraw/zinc/91/79/80/1018917980.db2.gz OGXQORYHABLYRH-UHFFFAOYSA-N 2 0 315.848 3.573 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2cncc3ccccc32)CC1(C)C ZINC001171629715 1032794996 /nfs/dbraw/zinc/79/49/96/1032794996.db2.gz DMSHNNSCWVAELK-UHFFFAOYSA-N 2 0 311.473 3.976 20 0 DHADRP CCOC1CCC([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000657827200 1018939429 /nfs/dbraw/zinc/93/94/29/1018939429.db2.gz MKQMJAPCXVZMBB-UHFFFAOYSA-N 2 0 318.505 3.966 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261861846 1018945521 /nfs/dbraw/zinc/94/55/21/1018945521.db2.gz FYMIVXLSGWQHPD-ZDUSSCGKSA-N 2 0 319.836 3.556 20 0 DHADRP Cn1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c2ccccc21 ZINC001171612957 1032799460 /nfs/dbraw/zinc/79/94/60/1032799460.db2.gz BJZHDRSKWFHGEL-UHFFFAOYSA-N 2 0 313.489 3.919 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000159064348 1018993836 /nfs/dbraw/zinc/99/38/36/1018993836.db2.gz PFYAELSBWJZUCM-AWEZNQCLSA-N 2 0 310.507 3.516 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc3ncccc23)CC1(C)C ZINC001171622121 1032801669 /nfs/dbraw/zinc/80/16/69/1032801669.db2.gz UJQCXTFZBDVCOR-UHFFFAOYSA-N 2 0 311.473 3.976 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)C1 ZINC000127368544 1019023814 /nfs/dbraw/zinc/02/38/14/1019023814.db2.gz SIYGXLHSDBMIGL-SFHVURJKSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619369 1032802412 /nfs/dbraw/zinc/80/24/12/1032802412.db2.gz LQYOQBRFBXTNHI-CQSZACIVSA-N 2 0 306.469 3.998 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1(C)C ZINC001171622921 1032802507 /nfs/dbraw/zinc/80/25/07/1032802507.db2.gz CVAMDGQCSWYJKF-MGPUTAFESA-N 3 0 323.569 3.771 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000386977703 1019036384 /nfs/dbraw/zinc/03/63/84/1019036384.db2.gz YTNSJPIQPBKKFB-QGZVFWFLSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc2cnccc2o1 ZINC000657837976 1019085635 /nfs/dbraw/zinc/08/56/35/1019085635.db2.gz LLKFEJPAZKWBME-INIZCTEOSA-N 2 0 315.461 3.991 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3ccccc3C2)CC1(C)C ZINC001171623118 1032807812 /nfs/dbraw/zinc/80/78/12/1032807812.db2.gz LAFWBYUFHHPUOL-QGZVFWFLSA-N 2 0 300.490 3.785 20 0 DHADRP c1ccc(-c2cccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c2)nc1 ZINC000666996884 1032809213 /nfs/dbraw/zinc/80/92/13/1032809213.db2.gz KHQZHLBLAURYAI-SFHVURJKSA-N 2 0 307.441 3.513 20 0 DHADRP C[NH+]1C(C)(C)CC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1(C)C ZINC001171627327 1032809325 /nfs/dbraw/zinc/80/93/25/1032809325.db2.gz PNXNUGYYNQEBEY-QAQDUYKDSA-N 3 0 321.553 3.620 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666996693 1032810040 /nfs/dbraw/zinc/81/00/40/1032810040.db2.gz AGQIUMUIBZZADV-CQSZACIVSA-N 2 0 323.278 3.522 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc3cnccc32)CC1(C)C ZINC001171627114 1032811413 /nfs/dbraw/zinc/81/14/13/1032811413.db2.gz KOKNUXZDWLITPF-UHFFFAOYSA-N 2 0 311.473 3.976 20 0 DHADRP Cc1csc([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923415328 1019183073 /nfs/dbraw/zinc/18/30/73/1019183073.db2.gz FMSGXGTZLZFITQ-UYTSQGDYSA-N 2 0 305.491 3.509 20 0 DHADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000923527162 1019263665 /nfs/dbraw/zinc/26/36/65/1019263665.db2.gz ZDYJVJGOAQNCEU-DODVFSASSA-N 2 0 320.427 3.731 20 0 DHADRP c1ccc2c(c1)C=C(C[NH2+]CCCCC[NH+]1CCCCC1)CO2 ZINC000113343992 1019269041 /nfs/dbraw/zinc/26/90/41/1019269041.db2.gz UTIQMFZTBMZBRA-UHFFFAOYSA-N 2 0 314.473 3.708 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001171666168 1032822000 /nfs/dbraw/zinc/82/20/00/1032822000.db2.gz VEAICTWXNALNIC-GOSISDBHSA-N 2 0 300.490 3.876 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001168699773 1019339539 /nfs/dbraw/zinc/33/95/39/1019339539.db2.gz NXNJFOQNWFSJFH-INIZCTEOSA-N 2 0 306.881 3.663 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486967506 1019355153 /nfs/dbraw/zinc/35/51/53/1019355153.db2.gz NJDMDVQNCUZXLH-GJZGRUSLSA-N 2 0 321.534 3.868 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090034982 1019376551 /nfs/dbraw/zinc/37/65/51/1019376551.db2.gz WZQQNGBYPLXQER-LIRZEXBASA-N 2 0 322.880 3.632 20 0 DHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H](C)CCc3ccc(C)cc3)C[C@H]2C1 ZINC001171682442 1032833364 /nfs/dbraw/zinc/83/33/64/1032833364.db2.gz VPTCSQYTOCWIAX-MISYRCLQSA-N 2 0 300.490 3.590 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092195328 1019484018 /nfs/dbraw/zinc/48/40/18/1019484018.db2.gz QTPCBZDMAOQZJF-HNNXBMFYSA-N 2 0 315.436 3.913 20 0 DHADRP c1cncc(CCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000929265158 1019486443 /nfs/dbraw/zinc/48/64/43/1019486443.db2.gz ZCUCWUCZEPUSLE-UHFFFAOYSA-N 2 0 315.505 3.602 20 0 DHADRP C[NH+]1C(C)(C)CC([NH+]2CCc3ccccc3CC2)CC1(C)C ZINC001171637452 1032835548 /nfs/dbraw/zinc/83/55/48/1032835548.db2.gz NWHZOCYSDBADSQ-UHFFFAOYSA-N 2 0 300.490 3.739 20 0 DHADRP C[NH+]1C(C)(C)CC([NH+]2CCC(c3ccccn3)CC2)CC1(C)C ZINC001171637840 1032835930 /nfs/dbraw/zinc/83/59/30/1032835930.db2.gz PNFJGGGRLFCGPJ-UHFFFAOYSA-N 2 0 315.505 3.912 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1(C)C ZINC001171638232 1032836460 /nfs/dbraw/zinc/83/64/60/1032836460.db2.gz XTBOWGFVZNDHIO-SFHVURJKSA-N 2 0 316.489 3.791 20 0 DHADRP C[C@@H]1C[C@H](n2ccc3ccc(C[NH3+])cc32)C[N@@H+]1Cc1ccccc1 ZINC001171725590 1032842384 /nfs/dbraw/zinc/84/23/84/1032842384.db2.gz MWMHSTAGZPLFPG-UZLBHIALSA-N 2 0 319.452 3.936 20 0 DHADRP C[NH+](C)CCCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000151914038 1019700638 /nfs/dbraw/zinc/70/06/38/1019700638.db2.gz ZDVKRUSUHCLHTP-OAHLLOKOSA-N 2 0 315.486 3.729 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000727465841 1019716354 /nfs/dbraw/zinc/71/63/54/1019716354.db2.gz LZBUDYYAVNYWFA-KRWDZBQOSA-N 2 0 311.473 3.837 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000166182719 1019779655 /nfs/dbraw/zinc/77/96/55/1019779655.db2.gz RMZPLNPZGFNYMT-RBUKOAKNSA-N 2 0 316.464 3.854 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2ccc3c(c2)CCO3)CC1 ZINC000765770115 1019842270 /nfs/dbraw/zinc/84/22/70/1019842270.db2.gz WKULTTCGGBFOSQ-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCCCCOc2ccccc2)C1 ZINC000685470738 1019857368 /nfs/dbraw/zinc/85/73/68/1019857368.db2.gz NOGXEVKXRDNRGT-ICSRJNTNSA-N 2 0 316.489 3.652 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000671739657 1019870523 /nfs/dbraw/zinc/87/05/23/1019870523.db2.gz NOTVAWOSGYFUSU-VAMGGRTRSA-N 2 0 300.490 3.698 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)C(C)(C)O1 ZINC000765774375 1019896883 /nfs/dbraw/zinc/89/68/83/1019896883.db2.gz CWPFXSXHLWPEIG-QGZVFWFLSA-N 2 0 310.526 3.968 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000926602062 1019936061 /nfs/dbraw/zinc/93/60/61/1019936061.db2.gz REJYOPOFNLTHHX-MRXNPFEDSA-N 2 0 310.551 3.620 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc(C[NH+](C)C)c1 ZINC000926602114 1019937745 /nfs/dbraw/zinc/93/77/45/1019937745.db2.gz RWZIFDCBROGIMI-QAPCUYQASA-N 2 0 318.530 3.932 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CCCCCCC[NH+]2CCCC2)c(C)n1 ZINC000765775100 1019952294 /nfs/dbraw/zinc/95/22/94/1019952294.db2.gz KUGKKTGHLBXRFW-INIZCTEOSA-N 2 0 318.509 3.790 20 0 DHADRP Cc1csc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1 ZINC000858369341 1032864839 /nfs/dbraw/zinc/86/48/39/1032864839.db2.gz HNYZKXSIFULJES-QQFBHYJXSA-N 2 0 307.507 3.899 20 0 DHADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000685629505 1019987507 /nfs/dbraw/zinc/98/75/07/1019987507.db2.gz ULOMUNCJKAEALY-LDCOFTPGSA-N 2 0 301.821 3.614 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C(F)F)nc1 ZINC000657994757 1020078004 /nfs/dbraw/zinc/07/80/04/1020078004.db2.gz WLYAVRXNSUBBPT-LBPRGKRZSA-N 2 0 309.404 3.544 20 0 DHADRP C[C@H]1C[C@@H](n2ccc3cccc(C[NH3+])c32)C[N@@H+]1Cc1ccccc1 ZINC001171735283 1032873417 /nfs/dbraw/zinc/87/34/17/1032873417.db2.gz UWJZTPDALJNESL-OXJNMPFZSA-N 2 0 319.452 3.936 20 0 DHADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc(C(F)(F)F)c1 ZINC001143459539 1020080931 /nfs/dbraw/zinc/08/09/31/1020080931.db2.gz XHRGOLAPIKXWTQ-UHFFFAOYSA-N 2 0 312.379 3.541 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428865135 1020095002 /nfs/dbraw/zinc/09/50/02/1020095002.db2.gz VFLKZSLQAITQCG-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067681 1020127317 /nfs/dbraw/zinc/12/73/17/1020127317.db2.gz PBEDPWCWZUCSCP-QUCCMNQESA-N 2 0 322.537 3.826 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658069641 1020128872 /nfs/dbraw/zinc/12/88/72/1020128872.db2.gz PWDSHVRGTDPQPO-OAHLLOKOSA-N 2 0 322.518 3.598 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658069631 1020128942 /nfs/dbraw/zinc/12/89/42/1020128942.db2.gz PWDSHVRGTDPQPO-HNNXBMFYSA-N 2 0 322.518 3.598 20 0 DHADRP C[C@H](C[NH2+][C@H](CCN(C)C)c1cccnc1)c1ccc(F)cc1 ZINC000922627826 1020174846 /nfs/dbraw/zinc/17/48/46/1020174846.db2.gz NMAZZKXWWONOIR-DNVCBOLYSA-N 2 0 315.436 3.607 20 0 DHADRP Cc1ccncc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658126240 1020175689 /nfs/dbraw/zinc/17/56/89/1020175689.db2.gz LMMYHOFQQTUFMQ-JXFKEZNVSA-N 2 0 315.505 3.565 20 0 DHADRP Cc1ccncc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658127797 1020176136 /nfs/dbraw/zinc/17/61/36/1020176136.db2.gz WVXIXEBCOPVBOX-YLJYHZDGSA-N 2 0 315.505 3.565 20 0 DHADRP CC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165429 1020199820 /nfs/dbraw/zinc/19/98/20/1020199820.db2.gz JPBNZMHOBVJION-VQTJNVASSA-N 2 0 315.505 3.852 20 0 DHADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166374 1020200154 /nfs/dbraw/zinc/20/01/54/1020200154.db2.gz UQXGSCURZPBZAF-RBUKOAKNSA-N 2 0 315.505 3.708 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](CNCc2cc(Cl)ccc2Cl)C1 ZINC000087759221 1020201672 /nfs/dbraw/zinc/20/16/72/1020201672.db2.gz IRCCNWYGKFZGAT-GFCCVEGCSA-N 2 0 301.261 3.813 20 0 DHADRP CCCCCC[C@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000765796429 1020209887 /nfs/dbraw/zinc/20/98/87/1020209887.db2.gz KKMAFQXZUXCNEE-VQTJNVASSA-N 2 0 323.569 3.743 20 0 DHADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922732286 1020243364 /nfs/dbraw/zinc/24/33/64/1020243364.db2.gz TYGZQBNSLFEXEG-SWLSCSKDSA-N 2 0 304.400 3.572 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000658251742 1020268278 /nfs/dbraw/zinc/26/82/78/1020268278.db2.gz JXGZGWZXPJACSX-QGZVFWFLSA-N 2 0 324.553 3.664 20 0 DHADRP C[C@H]([NH2+]CCCc1ccco1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658328711 1020291862 /nfs/dbraw/zinc/29/18/62/1020291862.db2.gz YRTLQLVBGYRBSG-INIZCTEOSA-N 2 0 316.445 3.503 20 0 DHADRP CC(C)(C)c1nc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cs1 ZINC000922848284 1020306858 /nfs/dbraw/zinc/30/68/58/1020306858.db2.gz QANUXFRUJMEXRB-UHFFFAOYSA-N 2 0 321.534 3.937 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000922848082 1020307492 /nfs/dbraw/zinc/30/74/92/1020307492.db2.gz MMEBTSMAERUJCO-UHFFFAOYSA-N 2 0 324.415 3.785 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000922847928 1020308083 /nfs/dbraw/zinc/30/80/83/1020308083.db2.gz YTNVPHHAZFIGKD-UHFFFAOYSA-N 2 0 319.518 3.907 20 0 DHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922845068 1020308745 /nfs/dbraw/zinc/30/87/45/1020308745.db2.gz BARYMVWRQBFSPS-DHADLLTHSA-N 2 0 308.510 3.577 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000922845077 1020309491 /nfs/dbraw/zinc/30/94/91/1020309491.db2.gz BATHSFUDSAVWLU-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000922845136 1020309885 /nfs/dbraw/zinc/30/98/85/1020309885.db2.gz MBRDLIQUPONBMY-UHFFFAOYSA-N 2 0 319.518 3.519 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000658355027 1020319743 /nfs/dbraw/zinc/31/97/43/1020319743.db2.gz GVRWSBRATJGFSH-IBGZPJMESA-N 2 0 301.478 3.634 20 0 DHADRP CC[C@@H](Cc1cccs1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357902 1020321929 /nfs/dbraw/zinc/32/19/29/1020321929.db2.gz WFBHUHLTNOWITE-KRWDZBQOSA-N 2 0 306.519 3.781 20 0 DHADRP Fc1ccc(C2CC([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658358035 1020322135 /nfs/dbraw/zinc/32/21/35/1020322135.db2.gz XVOQXIGKGUCJDQ-UHFFFAOYSA-N 2 0 316.464 3.783 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC000658357707 1020322178 /nfs/dbraw/zinc/32/21/78/1020322178.db2.gz VUCGBRSPXSNRHI-CYBMUJFWSA-N 2 0 308.416 3.737 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(OC)cc1 ZINC000658357524 1020322806 /nfs/dbraw/zinc/32/28/06/1020322806.db2.gz UCJBFXGDDUXTNP-FQEVSTJZSA-N 2 0 316.489 3.858 20 0 DHADRP C[N@@H+]1CCCC[C@H](CNCc2csc(-c3ccsc3)n2)C1 ZINC000623656461 1020340345 /nfs/dbraw/zinc/34/03/45/1020340345.db2.gz UURQBVHABKZYDT-CYBMUJFWSA-N 2 0 321.515 3.693 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000166391957 1020348852 /nfs/dbraw/zinc/34/88/52/1020348852.db2.gz PXICUGSGMQDIEC-IAGOWNOFSA-N 2 0 306.881 3.834 20 0 DHADRP C[C@@H](CC[NH2+]C1CC(CF)(CF)C1)[N@H+](C)Cc1ccccc1 ZINC000657899877 1020368030 /nfs/dbraw/zinc/36/80/30/1020368030.db2.gz MKUBFDWIHZIQIQ-HNNXBMFYSA-N 2 0 310.432 3.574 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCC2)cc1 ZINC000922887966 1020374630 /nfs/dbraw/zinc/37/46/30/1020374630.db2.gz HVNWVWRTBVXZAB-WSTZPKSXSA-N 2 0 314.473 3.753 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000655827620 1020406654 /nfs/dbraw/zinc/40/66/54/1020406654.db2.gz VGMCBEMIJADWTA-BETUJISGSA-N 2 0 320.383 3.655 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000766014329 1020406967 /nfs/dbraw/zinc/40/69/67/1020406967.db2.gz QDEJFVGADXSNHG-HXUWFJFHSA-N 2 0 316.489 3.618 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@@H]2CCCSC2)C[C@@H]1c1ccccc1 ZINC000340390002 1020408271 /nfs/dbraw/zinc/40/82/71/1020408271.db2.gz HQWDLZSPBYKBCN-RYQLBKOJSA-N 2 0 304.503 3.555 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C[C@]3(C)CCCS3)CC2)CC1 ZINC000628229986 1020421084 /nfs/dbraw/zinc/42/10/84/1020421084.db2.gz ORCUGZVXFSLYDR-ABHNRTSZSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@H]1C[C@H]([N@H+](C)CCc2cccnc2)CCN1Cc1ccccc1 ZINC000172574326 1020530443 /nfs/dbraw/zinc/53/04/43/1020530443.db2.gz VWXXEDZIFKGDRJ-GHTZIAJQSA-N 2 0 323.484 3.609 20 0 DHADRP C[NH+](C)C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177722418 1020540581 /nfs/dbraw/zinc/54/05/81/1020540581.db2.gz GEBJPHSQKBAOTH-OAHLLOKOSA-N 2 0 314.395 3.522 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000628280099 1020562302 /nfs/dbraw/zinc/56/23/02/1020562302.db2.gz QAIXHGAZVMHFEA-MRXNPFEDSA-N 2 0 322.880 3.512 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490710 1032916962 /nfs/dbraw/zinc/91/69/62/1032916962.db2.gz MKBXZBJBFXQALF-LPHOPBHVSA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422740281 1020592969 /nfs/dbraw/zinc/59/29/69/1020592969.db2.gz NEQKXJBCVKLTJL-XHDPSFHLSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205985635 1020701319 /nfs/dbraw/zinc/70/13/19/1020701319.db2.gz ZCHZEQUQDMPVPJ-QWHCGFSZSA-N 2 0 300.368 3.512 20 0 DHADRP COCc1csc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926701574 1020714032 /nfs/dbraw/zinc/71/40/32/1020714032.db2.gz AQCKDECVQOIEDY-AWEZNQCLSA-N 2 0 318.486 3.807 20 0 DHADRP CC(C)C1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309698243 1020727301 /nfs/dbraw/zinc/72/73/01/1020727301.db2.gz FOAMXQLGEAOVMT-HDYDNRTBSA-N 2 0 300.490 3.923 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000545274370 1020744103 /nfs/dbraw/zinc/74/41/03/1020744103.db2.gz YCTNQZITVVXPJM-CQSZACIVSA-N 2 0 304.503 3.934 20 0 DHADRP CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2C)CC[C@H]1[NH3+] ZINC000647497552 1020770689 /nfs/dbraw/zinc/77/06/89/1020770689.db2.gz MAUWFWKVTLLGPD-SWLSCSKDSA-N 2 0 300.368 3.573 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001171958555 1032927592 /nfs/dbraw/zinc/92/75/92/1032927592.db2.gz BJNXGLHBQFCFGY-XJKSGUPXSA-N 2 0 314.395 3.710 20 0 DHADRP CC(C)C1CCC([NH2+]CC2CN(Cc3ccccc3)C2)CC1 ZINC000716276305 1020843685 /nfs/dbraw/zinc/84/36/85/1020843685.db2.gz CAYMLSXWJFVVSH-UHFFFAOYSA-N 2 0 300.490 3.923 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[C@@H]1C ZINC000414085781 1020867690 /nfs/dbraw/zinc/86/76/90/1020867690.db2.gz YUTCNCIWIZCUIP-WBAXXEDZSA-N 2 0 306.519 3.984 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000348444498 1032939948 /nfs/dbraw/zinc/93/99/48/1032939948.db2.gz ZERDYWBNUVKQHK-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000644166301 1020933318 /nfs/dbraw/zinc/93/33/18/1020933318.db2.gz PQFUXFYFOPOZSU-BJZITVGISA-N 2 0 319.493 3.692 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182397 1020969815 /nfs/dbraw/zinc/96/98/15/1020969815.db2.gz MYZKVJKCCJDRAS-UPBMQRFZSA-N 2 0 310.844 3.653 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000537936357 1032947307 /nfs/dbraw/zinc/94/73/07/1032947307.db2.gz OGZPBUQSZGJBLE-GTAWCEEGSA-N 2 0 322.537 3.823 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414189878 1020979567 /nfs/dbraw/zinc/97/95/67/1020979567.db2.gz RMURTKQWFYCVBE-HIFRSBDPSA-N 2 0 309.523 3.957 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)OCC2CC2)CC1 ZINC000414250439 1021032199 /nfs/dbraw/zinc/03/21/99/1021032199.db2.gz BDEJNIHHIPGXEK-APWZRJJASA-N 2 0 322.537 3.824 20 0 DHADRP c1cn(-c2ccc(C[NH2+]Cc3nccc4ccccc43)cc2)cn1 ZINC000236573189 1021055862 /nfs/dbraw/zinc/05/58/62/1021055862.db2.gz MASPYZVYKXJOBJ-UHFFFAOYSA-N 2 0 314.392 3.710 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000414308498 1021079907 /nfs/dbraw/zinc/07/99/07/1021079907.db2.gz QLZGCADGRSZERL-BQFCYCMXSA-N 2 0 308.510 3.577 20 0 DHADRP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414347871 1021118149 /nfs/dbraw/zinc/11/81/49/1021118149.db2.gz NWUPPKJAJYYVBO-MFKWGIFDSA-N 2 0 322.452 3.636 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647550203 1021156633 /nfs/dbraw/zinc/15/66/33/1021156633.db2.gz FOBCIMYQKAKUBM-JENIJYKNSA-N 2 0 300.490 3.504 20 0 DHADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647549008 1021156806 /nfs/dbraw/zinc/15/68/06/1021156806.db2.gz FBSWPQXWEFAPSX-QSUVIHHLSA-N 2 0 312.501 3.766 20 0 DHADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647549007 1021157130 /nfs/dbraw/zinc/15/71/30/1021157130.db2.gz FBSWPQXWEFAPSX-LUYSREMJSA-N 2 0 312.501 3.766 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423362424 1021189281 /nfs/dbraw/zinc/18/92/81/1021189281.db2.gz HSOOMJZCGBUMGO-UHOFOFEASA-N 2 0 314.395 3.886 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC001171976500 1032960644 /nfs/dbraw/zinc/96/06/44/1032960644.db2.gz SDAHJYIMUYEKOV-QZTJIDSGSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000250913283 1021197195 /nfs/dbraw/zinc/19/71/95/1021197195.db2.gz WBJJZAHUGYODCK-RCBQFDQVSA-N 2 0 323.278 3.727 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091305943 1021276877 /nfs/dbraw/zinc/27/68/77/1021276877.db2.gz BLPUYHIDPFNRSB-QFBILLFUSA-N 2 0 304.478 3.714 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000537991619 1032965208 /nfs/dbraw/zinc/96/52/08/1032965208.db2.gz VUUWGNDZEUWJMQ-APWZRJJASA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H]([NH3+])c1ccn([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982718 1032965479 /nfs/dbraw/zinc/96/54/79/1032965479.db2.gz KGZUSGYBEAFFMO-NVXWUHKLSA-N 2 0 312.461 3.519 20 0 DHADRP C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc(C(F)(F)F)c1 ZINC000924650011 1032969514 /nfs/dbraw/zinc/96/95/14/1032969514.db2.gz PMGPOLLTPAHPQR-GHMZBOCLSA-N 2 0 318.408 3.902 20 0 DHADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000780747345 1021338934 /nfs/dbraw/zinc/33/89/34/1021338934.db2.gz XIBSPNCNVPPCNI-GOSISDBHSA-N 2 0 316.489 3.784 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000129026925 1021407358 /nfs/dbraw/zinc/40/73/58/1021407358.db2.gz QCLDAMHGTLZYNX-QFBILLFUSA-N 2 0 304.478 3.638 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC001172101600 1032980004 /nfs/dbraw/zinc/98/00/04/1032980004.db2.gz FUJRQQXILVKYEJ-PHZGNYQRSA-N 2 0 323.278 3.554 20 0 DHADRP COCc1csc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000850178520 1021432064 /nfs/dbraw/zinc/43/20/64/1021432064.db2.gz BJINUOJFUDANTI-UHFFFAOYSA-N 2 0 322.518 3.781 20 0 DHADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262709600 1021441290 /nfs/dbraw/zinc/44/12/90/1021441290.db2.gz OYJRTBHMQGJGRR-HNAYVOBHSA-N 2 0 317.477 3.517 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1SC ZINC000624121445 1021465345 /nfs/dbraw/zinc/46/53/45/1021465345.db2.gz WMWQJMVONAQILC-GJZGRUSLSA-N 2 0 322.518 3.800 20 0 DHADRP C[C@@H]([NH3+])c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172074430 1032982030 /nfs/dbraw/zinc/98/20/30/1032982030.db2.gz VHMMSUZGIQDIIK-OQIJWPOYSA-N 2 0 324.472 3.661 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000181381600 1021476210 /nfs/dbraw/zinc/47/62/10/1021476210.db2.gz LDCYQAJGWSJMAR-UWJYYQICSA-N 2 0 308.469 3.968 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069377612 1021476765 /nfs/dbraw/zinc/47/67/65/1021476765.db2.gz XVWAOORPVISIPO-CABCVRRESA-N 2 0 306.416 3.819 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000572546967 1021500148 /nfs/dbraw/zinc/50/01/48/1021500148.db2.gz UFNUVJYXYNNAAF-KDOFPFPSSA-N 2 0 306.881 3.593 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121821 1021504014 /nfs/dbraw/zinc/50/40/14/1021504014.db2.gz DMVCFXJECYQMRS-PMACEKPBSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121954 1021507621 /nfs/dbraw/zinc/50/76/21/1021507621.db2.gz GNNUUMOBAXMXAX-AEFFLSMTSA-N 2 0 302.462 3.530 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC001172100052 1032987471 /nfs/dbraw/zinc/98/74/71/1032987471.db2.gz MBYAXACHEQZMCZ-MUJYYYPQSA-N 2 0 312.379 3.810 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415013865 1021616769 /nfs/dbraw/zinc/61/67/69/1021616769.db2.gz LJXNLHUDBGQXIJ-QWHCGFSZSA-N 2 0 302.384 3.916 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000926862199 1021679070 /nfs/dbraw/zinc/67/90/70/1021679070.db2.gz WJODKSSMJQXPSE-CRAIPNDOSA-N 2 0 302.462 3.501 20 0 DHADRP CC(C)Oc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172103569 1033006141 /nfs/dbraw/zinc/00/61/41/1033006141.db2.gz VYEUESVZLNCKLV-BCDXTJNWSA-N 2 0 302.462 3.579 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccc(Cl)cc3)CC1)C2 ZINC001172106220 1033007065 /nfs/dbraw/zinc/00/70/65/1033007065.db2.gz NOMRCTPGYQEZNP-NNZMDNLPSA-N 2 0 318.892 3.977 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3c3c1CC[C@H]([NH3+])C3)C2 ZINC001172106239 1033007470 /nfs/dbraw/zinc/00/74/70/1033007470.db2.gz NZLUBWOTEULJIS-NXOAAHMSSA-N 2 0 323.484 3.645 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000926889977 1021791292 /nfs/dbraw/zinc/79/12/92/1021791292.db2.gz SOCVOGWOAINTHT-SOAISFHBSA-N 2 0 322.537 3.704 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccc(Cl)cc3)CC1)C2 ZINC001172106219 1033003870 /nfs/dbraw/zinc/00/38/70/1033003870.db2.gz NOMRCTPGYQEZNP-BCDXTJNWSA-N 2 0 318.892 3.977 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1cc(F)cc3F)C2 ZINC001172104924 1033004966 /nfs/dbraw/zinc/00/49/66/1033004966.db2.gz FAZGUUWBUHKIRK-AHXJXLJNSA-N 2 0 306.400 3.557 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000394417952 1021892960 /nfs/dbraw/zinc/89/29/60/1021892960.db2.gz DWRPFPSYIQUEAR-CTNGQTDRSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000556872494 1021914778 /nfs/dbraw/zinc/91/47/78/1021914778.db2.gz YAQLOPYABSRJIM-WYXOVGLDSA-N 2 0 304.453 3.912 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1C ZINC000556879430 1021921190 /nfs/dbraw/zinc/92/11/90/1021921190.db2.gz UCTVDQBGXILRIE-IPMKNSEASA-N 2 0 316.489 3.535 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)CSC)ccc1OC ZINC000182995855 1021921821 /nfs/dbraw/zinc/92/18/21/1021921821.db2.gz BAAKSGHDKHDESE-LSDHHAIUSA-N 2 0 324.534 3.939 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000556879409 1021923488 /nfs/dbraw/zinc/92/34/88/1021923488.db2.gz SQDSIDYEIQXEFY-ZDNSCYFHSA-N 2 0 316.464 3.924 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1Cl ZINC000556879020 1021923682 /nfs/dbraw/zinc/92/36/82/1021923682.db2.gz CXEVKPGOHXVEDE-UAGQMJEPSA-N 2 0 322.880 3.701 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000924658661 1033016178 /nfs/dbraw/zinc/01/61/78/1033016178.db2.gz RHJHXSHBJGSNLM-AWEZNQCLSA-N 2 0 315.461 3.982 20 0 DHADRP Cc1ccc2cccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2n1 ZINC001172115013 1033016137 /nfs/dbraw/zinc/01/61/37/1033016137.db2.gz TWURHKGXQOAKRY-REPLKXPHSA-N 2 0 309.457 3.648 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccncc1Cl)C1CC1)C2 ZINC001172112384 1033016801 /nfs/dbraw/zinc/01/68/01/1033016801.db2.gz WHMONMHBAYHWLS-BASYENTBSA-N 2 0 319.880 3.791 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934498 1021956338 /nfs/dbraw/zinc/95/63/38/1021956338.db2.gz WFFVOPVIRJMDQK-IMFGXOCKSA-N 2 0 322.537 3.560 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1F)C1CC1)C2 ZINC001172115862 1033020528 /nfs/dbraw/zinc/02/05/28/1033020528.db2.gz FSLZSQWIZYCGDT-OAFZBRQQSA-N 2 0 302.437 3.882 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccncc1Cl)C1CC1)C2 ZINC001172112385 1033020950 /nfs/dbraw/zinc/02/09/50/1033020950.db2.gz WHMONMHBAYHWLS-KRXQYRFLSA-N 2 0 319.880 3.791 20 0 DHADRP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000620119787 1022040961 /nfs/dbraw/zinc/04/09/61/1022040961.db2.gz OJANSAXCBYCWLK-AEFFLSMTSA-N 2 0 304.478 3.543 20 0 DHADRP COc1c(C)cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1C ZINC000920179721 1022068779 /nfs/dbraw/zinc/06/87/79/1022068779.db2.gz ODVUIVRDYSAJSH-UHFFFAOYSA-N 2 0 318.505 3.914 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CSc2ccccc2C1 ZINC001172186646 1033028435 /nfs/dbraw/zinc/02/84/35/1033028435.db2.gz BAWNUOSDFWUOCI-QGZVFWFLSA-N 2 0 304.503 3.687 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CCc2ccccc2)C1 ZINC000538305408 1033030275 /nfs/dbraw/zinc/03/02/75/1033030275.db2.gz QMYABZDPZAEHIC-QUCCMNQESA-N 2 0 302.506 3.919 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(CC)CC ZINC000766488843 1022124523 /nfs/dbraw/zinc/12/45/23/1022124523.db2.gz OWTPCVCNGCZPCL-OALUTQOASA-N 2 0 322.537 3.967 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CSc3ccccc3C2)C[C@](C)(C[NH3+])C1 ZINC001172188046 1033031190 /nfs/dbraw/zinc/03/11/90/1033031190.db2.gz PSWFEIJGYHKMPM-GJYPPUQNSA-N 2 0 318.530 3.837 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2F)CCC[C@H]1C[NH3+] ZINC001205995841 1022182997 /nfs/dbraw/zinc/18/29/97/1022182997.db2.gz RBCVSVHSPPTRQI-RYUDHWBXSA-N 2 0 318.358 3.651 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893186796 1022189278 /nfs/dbraw/zinc/18/92/78/1022189278.db2.gz FNQQDKIVDYADDV-UHFFFAOYSA-N 2 0 314.395 3.973 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(O)c(F)c3)CC2)CC1 ZINC000893187490 1022192488 /nfs/dbraw/zinc/19/24/88/1022192488.db2.gz RETJPGFGJZFYLB-UHFFFAOYSA-N 2 0 320.452 3.664 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCc2c(F)cc(F)cc21)C1CC[NH+](C)CC1 ZINC000651357681 1022238154 /nfs/dbraw/zinc/23/81/54/1022238154.db2.gz SAAKCRFICILPTM-KPZWWZAWSA-N 2 0 308.416 3.662 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C(F)(F)F ZINC001169098091 1022244784 /nfs/dbraw/zinc/24/47/84/1022244784.db2.gz FSGCPFLLMBMODK-QKDCVEJESA-N 2 0 312.379 3.729 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3Cl)CC1)C2 ZINC001169117146 1022259571 /nfs/dbraw/zinc/25/95/71/1022259571.db2.gz WPGVILYBIJREPR-OSYLJGHBSA-N 2 0 318.892 3.878 20 0 DHADRP CC[C@H]([NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153959657 1022265592 /nfs/dbraw/zinc/26/55/92/1022265592.db2.gz RDMRDRHYCSXQLY-MJGOQNOKSA-N 2 0 318.505 3.911 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000154012127 1022268955 /nfs/dbraw/zinc/26/89/55/1022268955.db2.gz ZPMBQXQHBJQEFY-CQSZACIVSA-N 2 0 308.441 3.607 20 0 DHADRP Cc1cc2cc[nH]c2c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001169141924 1022272220 /nfs/dbraw/zinc/27/22/20/1022272220.db2.gz LEKHZFLODSEXSO-KSSFIOAISA-N 2 0 300.450 3.827 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CCc3ccccc32)C1 ZINC000659974483 1022273986 /nfs/dbraw/zinc/27/39/86/1022273986.db2.gz MWBIYSVPCZBBPM-AZUAARDMSA-N 2 0 312.501 3.770 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccc(F)cc3)CC1)C2 ZINC001169142585 1022274533 /nfs/dbraw/zinc/27/45/33/1022274533.db2.gz DGYHQEWOEFACSM-PMOLBWCYSA-N 2 0 316.464 3.705 20 0 DHADRP CC1(C)C[C@@H](Nc2ccc(C3([NH3+])CCC3)cc2)C[C@](C)(C[NH3+])C1 ZINC001169142985 1022275726 /nfs/dbraw/zinc/27/57/26/1022275726.db2.gz IRLMUEKLKRTWQA-MJGOQNOKSA-N 2 0 315.505 3.980 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccccc3F)CC1)C2 ZINC001169148429 1022279925 /nfs/dbraw/zinc/27/99/25/1022279925.db2.gz YVRXLGKORRDKQZ-BWTSREIZSA-N 2 0 316.464 3.705 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1[C@H]1CCCC[NH2+]1)C2 ZINC001169148464 1022280363 /nfs/dbraw/zinc/28/03/63/1022280363.db2.gz ZLPMFQMFNWCCOB-KYHPRHEASA-N 2 0 324.472 3.649 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2C)CC1 ZINC001169230383 1022312198 /nfs/dbraw/zinc/31/21/98/1022312198.db2.gz AFISIFLWGWOTAE-UHFFFAOYSA-N 2 0 300.368 3.588 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000538406854 1033045508 /nfs/dbraw/zinc/04/55/08/1033045508.db2.gz WPZCGELKMAHQOG-ROUUACIJSA-N 2 0 304.865 3.828 20 0 DHADRP Fc1ccc(SCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000195601379 1022331968 /nfs/dbraw/zinc/33/19/68/1022331968.db2.gz HMXFHHWMWQDCHB-UHFFFAOYSA-N 2 0 322.493 3.726 20 0 DHADRP CC(C)COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000154860378 1022340313 /nfs/dbraw/zinc/34/03/13/1022340313.db2.gz DUJJDLHCHOLDEK-FUHIMQAGSA-N 2 0 318.505 3.582 20 0 DHADRP CC(C)C1CC([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309653352 1022352454 /nfs/dbraw/zinc/35/24/54/1022352454.db2.gz ASTAGYRCTZZIFV-MHJFOBGBSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925551139 1022382889 /nfs/dbraw/zinc/38/28/89/1022382889.db2.gz AESBOXPCEITHSV-ICSRJNTNSA-N 3 0 317.521 3.568 20 0 DHADRP CCSCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272399703 1022502788 /nfs/dbraw/zinc/50/27/88/1022502788.db2.gz DNWHARYCTZWLQR-FUHWJXTLSA-N 2 0 306.519 3.630 20 0 DHADRP CCSCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272399713 1022503411 /nfs/dbraw/zinc/50/34/11/1022503411.db2.gz DNWHARYCTZWLQR-WMZOPIPTSA-N 2 0 306.519 3.630 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000156883195 1022505760 /nfs/dbraw/zinc/50/57/60/1022505760.db2.gz INTJDMDJZWHGIS-LRDDRELGSA-N 2 0 315.288 3.856 20 0 DHADRP c1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)onc1C1CC1 ZINC000660122668 1022533390 /nfs/dbraw/zinc/53/33/90/1022533390.db2.gz YHOVHUQZBCGKCH-UHFFFAOYSA-N 2 0 317.477 3.640 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000132795036 1033065444 /nfs/dbraw/zinc/06/54/44/1033065444.db2.gz WOAVHIZULMGZPI-PXNSSMCTSA-N 2 0 316.489 3.537 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2nc(C)oc2C)CC1)CC(C)C ZINC000660169754 1022594732 /nfs/dbraw/zinc/59/47/32/1022594732.db2.gz ASSKFPUAURZAGX-UHFFFAOYSA-N 2 0 321.509 3.871 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000671122088 1022615833 /nfs/dbraw/zinc/61/58/33/1022615833.db2.gz XVBMGHGFEJMFTK-KRWDZBQOSA-N 2 0 318.505 3.822 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230752 1022616932 /nfs/dbraw/zinc/61/69/32/1022616932.db2.gz LNQRUQIRYPXMGD-CZUORRHYSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000158270986 1022621722 /nfs/dbraw/zinc/62/17/22/1022621722.db2.gz YRYKDYDKDWITPD-SJORKVTESA-N 2 0 309.457 3.741 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000158925012 1022676449 /nfs/dbraw/zinc/67/64/49/1022676449.db2.gz FJCUZRPAKNKGKA-MJGOQNOKSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000316049545 1022676840 /nfs/dbraw/zinc/67/68/40/1022676840.db2.gz NNBFSFJZNLEIEJ-LBPRGKRZSA-N 2 0 319.836 3.554 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000159045807 1022683492 /nfs/dbraw/zinc/68/34/92/1022683492.db2.gz RALKNUIIDMFGRE-QGZVFWFLSA-N 2 0 318.505 3.962 20 0 DHADRP CC(C)Sc1ccc([C@H](C)NC[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194147 1022686013 /nfs/dbraw/zinc/68/60/13/1022686013.db2.gz FIHSUGIZIDKWFT-RDJZCZTQSA-N 2 0 324.534 3.539 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)NCc2cc(C3CC3)no2)cc1 ZINC000660202200 1022711843 /nfs/dbraw/zinc/71/18/43/1022711843.db2.gz ADLPEPHTACFSQH-CYBMUJFWSA-N 2 0 322.412 3.897 20 0 DHADRP CC(C)C[N@H+](CCc1cncn1C)Cc1cccc(Cl)c1 ZINC000621386894 1022732551 /nfs/dbraw/zinc/73/25/51/1022732551.db2.gz MOIRWVHTKFXXOB-UHFFFAOYSA-N 2 0 305.853 3.774 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H]3CC3(F)F)CC2)C1 ZINC000621734928 1022847883 /nfs/dbraw/zinc/84/78/83/1022847883.db2.gz ZVSXXIFNTFTJBT-FMKPAKJESA-N 2 0 300.437 3.664 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000621775523 1022869844 /nfs/dbraw/zinc/86/98/44/1022869844.db2.gz QVHXCGGCWKATSL-NHCUHLMSSA-N 2 0 323.484 3.562 20 0 DHADRP CC(C)OC1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925624476 1022875751 /nfs/dbraw/zinc/87/57/51/1022875751.db2.gz YJPRJPJQQRLVSV-ACBHZAAOSA-N 2 0 304.478 3.792 20 0 DHADRP COc1ccccc1C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207486267 1022878724 /nfs/dbraw/zinc/87/87/24/1022878724.db2.gz FPGWDUMZVYXHLC-UHFFFAOYSA-N 2 0 316.489 3.607 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768095063 1022882161 /nfs/dbraw/zinc/88/21/61/1022882161.db2.gz ZPTJTDXCRGHFEB-VQIMIIECSA-N 2 0 316.489 3.784 20 0 DHADRP CCCCn1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(C)n1 ZINC000925628657 1022891424 /nfs/dbraw/zinc/89/14/24/1022891424.db2.gz FVKISESHEAAWHX-IBGZPJMESA-N 2 0 314.477 3.561 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)NC1CC[NH+](CC)CC1 ZINC000159285463 1022894386 /nfs/dbraw/zinc/89/43/86/1022894386.db2.gz GJELTEJKRTXWHO-ZDUSSCGKSA-N 2 0 310.869 3.874 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925631361 1022899814 /nfs/dbraw/zinc/89/98/14/1022899814.db2.gz XPIQCKBGOZGNAR-WTGUMLROSA-N 2 0 322.537 3.728 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000163597706 1022920593 /nfs/dbraw/zinc/92/05/93/1022920593.db2.gz AELDDCVIQBQFCJ-KRWDZBQOSA-N 2 0 320.525 3.873 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000414925395 1022921485 /nfs/dbraw/zinc/92/14/85/1022921485.db2.gz LTFGJPAATIAOTG-DLBZAZTESA-N 2 0 311.429 3.542 20 0 DHADRP C[N@H+](C(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000390390302 1022936883 /nfs/dbraw/zinc/93/68/83/1022936883.db2.gz GDFWBZGBVDSWPL-YOFSQIOKSA-N 2 0 306.453 3.991 20 0 DHADRP CC1(C)C[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172280917 1033093202 /nfs/dbraw/zinc/09/32/02/1033093202.db2.gz OGZCQJJQWAXKDG-KZNAEPCWSA-N 2 0 308.510 3.706 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000164831261 1022960606 /nfs/dbraw/zinc/96/06/06/1022960606.db2.gz VRKNWARYJKCFGU-JSGCOSHPSA-N 2 0 312.860 3.829 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000164831148 1022962276 /nfs/dbraw/zinc/96/22/76/1022962276.db2.gz VRKNWARYJKCFGU-OCCSQVGLSA-N 2 0 312.860 3.829 20 0 DHADRP FC1(F)CC(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000293798009 1022970904 /nfs/dbraw/zinc/97/09/04/1022970904.db2.gz UTZBCNSOKGBVEA-KZNAEPCWSA-N 2 0 320.427 3.532 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCOC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000294909904 1022987593 /nfs/dbraw/zinc/98/75/93/1022987593.db2.gz ADWXFLIOQGKALK-MJGOQNOKSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnc2ccsc2c1 ZINC000295959231 1023000863 /nfs/dbraw/zinc/00/08/63/1023000863.db2.gz MVXRZUDFTXYQKD-PRTUASRFSA-N 2 0 301.459 3.572 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(OC(F)F)c1 ZINC000295919225 1023001884 /nfs/dbraw/zinc/00/18/84/1023001884.db2.gz JVJHVDIJNJORHV-PRTUASRFSA-N 2 0 310.388 3.564 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622043800 1023004745 /nfs/dbraw/zinc/00/47/45/1023004745.db2.gz MMSGDFLWJYJWMP-GJZGRUSLSA-N 2 0 312.379 3.944 20 0 DHADRP FC(F)C1CC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000768674305 1023008761 /nfs/dbraw/zinc/00/87/61/1023008761.db2.gz AMISHWFCCADJAS-UHFFFAOYSA-N 2 0 308.416 3.806 20 0 DHADRP FC(F)C1CC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000768686244 1023013342 /nfs/dbraw/zinc/01/33/42/1023013342.db2.gz IZKNLUDGWGTAOF-UHFFFAOYSA-N 2 0 300.437 3.664 20 0 DHADRP FC(F)C1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000768688601 1023014478 /nfs/dbraw/zinc/01/44/78/1023014478.db2.gz UIQZQEVRRGEXQZ-GTPINHCMSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCC(C)(C)O3)CC2)C1 ZINC000249872328 1023064262 /nfs/dbraw/zinc/06/42/62/1023064262.db2.gz GJTWAUUWDRZZRN-KBAYOESNSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215044 1023072969 /nfs/dbraw/zinc/07/29/69/1023072969.db2.gz HUPLSCFXFMUOPB-HZPDHXFCSA-N 2 0 301.478 3.712 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089696904 1023097477 /nfs/dbraw/zinc/09/74/77/1023097477.db2.gz OYQBJJGMCVNCHP-BDJLRTHQSA-N 2 0 313.272 3.912 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000769874876 1023238497 /nfs/dbraw/zinc/23/84/97/1023238497.db2.gz MEEHMHADDLMJAR-HNNXBMFYSA-N 2 0 307.482 3.708 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3C[C@H]4C[C@H]4C3)C2)s1 ZINC000660497998 1023281741 /nfs/dbraw/zinc/28/17/41/1023281741.db2.gz VSQZSOYPAYTGBG-ZJPYXAASSA-N 2 0 318.530 3.856 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652132598 1023340430 /nfs/dbraw/zinc/34/04/30/1023340430.db2.gz POVKUSSTWDPNKZ-GOSISDBHSA-N 2 0 303.494 3.880 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661322 1023366877 /nfs/dbraw/zinc/36/68/77/1023366877.db2.gz ZZWMIUIRKAYQMN-KSSFIOAISA-N 2 0 324.415 3.767 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCCN(C/C=C\c1ccc(Cl)cc1)C2 ZINC000660662421 1023368872 /nfs/dbraw/zinc/36/88/72/1023368872.db2.gz KBTGAXJJDLZOFY-HCABJEFNSA-N 2 0 304.865 3.771 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172353542 1033136745 /nfs/dbraw/zinc/13/67/45/1033136745.db2.gz NOTQGZXEEMDFIQ-XWSJACJDSA-N 2 0 310.526 3.919 20 0 DHADRP CCC1(CC)CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000651733287 1023506367 /nfs/dbraw/zinc/50/63/67/1023506367.db2.gz CAXJDIVFEMUYAA-RBUKOAKNSA-N 2 0 322.537 3.703 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21)C1CC1 ZINC000651827915 1023576609 /nfs/dbraw/zinc/57/66/09/1023576609.db2.gz QVAMPEUPKDQSMT-HNNXBMFYSA-N 2 0 310.844 3.930 20 0 DHADRP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)CC2)cc1 ZINC001172366872 1033147016 /nfs/dbraw/zinc/14/70/16/1033147016.db2.gz IFNIQAIJBNLBFI-LZLYRXPVSA-N 2 0 316.489 3.770 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172368099 1033149405 /nfs/dbraw/zinc/14/94/05/1033149405.db2.gz NHUFHFREZFTWCC-VDCDIQELSA-N 2 0 308.510 3.562 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1C ZINC001172368893 1033149647 /nfs/dbraw/zinc/14/96/47/1033149647.db2.gz KJSLEFJQQKNPEZ-ZHALLVOQSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C[C@@H]1C ZINC001172371626 1033152030 /nfs/dbraw/zinc/15/20/30/1033152030.db2.gz VNVAUNLCICZAAG-JTDSTZFVSA-N 2 0 318.480 3.986 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150855 1023680152 /nfs/dbraw/zinc/68/01/52/1023680152.db2.gz BCVOISUYHSSDAZ-VQIMIIECSA-N 2 0 301.478 3.634 20 0 DHADRP COc1cccc([C@@]2(C)CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000661707877 1023697978 /nfs/dbraw/zinc/69/79/78/1023697978.db2.gz AHAIKEMSDJBZFK-ICSRJNTNSA-N 2 0 316.489 3.533 20 0 DHADRP CCOCC[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172414859 1033158949 /nfs/dbraw/zinc/15/89/49/1033158949.db2.gz TYSMSOFICOCTGP-BHIYHBOVSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)O1 ZINC000661851410 1023778963 /nfs/dbraw/zinc/77/89/63/1023778963.db2.gz UONFBUYCEBRCRE-MSOLQXFVSA-N 2 0 316.489 3.672 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925731507 1023781317 /nfs/dbraw/zinc/78/13/17/1023781317.db2.gz SXHGGXMRUSEILX-WXHSDQCUSA-N 2 0 315.383 3.657 20 0 DHADRP COc1ccccc1C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000652337165 1023796242 /nfs/dbraw/zinc/79/62/42/1023796242.db2.gz OYVLYQBWJZDSQC-UHFFFAOYSA-N 2 0 322.452 3.506 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000164610417 1023809204 /nfs/dbraw/zinc/80/92/04/1023809204.db2.gz PFZSWTKXFZUOER-SFHVURJKSA-N 2 0 313.445 3.784 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000788026603 1023840437 /nfs/dbraw/zinc/84/04/37/1023840437.db2.gz YFFYXDLBHPJXEW-VQTJNVASSA-N 2 0 300.490 3.719 20 0 DHADRP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@H]1c1ccccc1 ZINC000788022452 1023847238 /nfs/dbraw/zinc/84/72/38/1023847238.db2.gz NYYURJKZGRLOHX-UYAOXDASSA-N 2 0 300.490 3.844 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC000788471927 1023889484 /nfs/dbraw/zinc/88/94/84/1023889484.db2.gz XAWUJXWYNJXPRD-LJQANCHMSA-N 2 0 302.462 3.564 20 0 DHADRP CCC1([NH3+])CCN([C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000925755985 1023969712 /nfs/dbraw/zinc/96/97/12/1023969712.db2.gz JUJAODBSSAUFAH-HNNXBMFYSA-N 2 0 308.853 3.757 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc3cccnc32)CC1 ZINC001137176096 1024015795 /nfs/dbraw/zinc/01/57/95/1024015795.db2.gz RMBZRBOWQWJGJY-UHFFFAOYSA-N 2 0 311.473 3.787 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(O)c1 ZINC000194956575 1024018876 /nfs/dbraw/zinc/01/88/76/1024018876.db2.gz XEOYHDNJFSZIPQ-YQQAZPJKSA-N 2 0 302.462 3.696 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662249165 1024028764 /nfs/dbraw/zinc/02/87/64/1024028764.db2.gz RJVLBIKFNLDWPC-CYBMUJFWSA-N 2 0 316.395 3.804 20 0 DHADRP COc1ccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000662249702 1024029581 /nfs/dbraw/zinc/02/95/81/1024029581.db2.gz YGCULNQKDCVVBH-UHFFFAOYSA-N 2 0 322.452 3.506 20 0 DHADRP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662264560 1024041699 /nfs/dbraw/zinc/04/16/99/1024041699.db2.gz SOWXIIUNFHCGEG-ZDUSSCGKSA-N 2 0 315.486 3.599 20 0 DHADRP CC[C@@](C)([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nc(C)cs1 ZINC000662263556 1024042093 /nfs/dbraw/zinc/04/20/93/1024042093.db2.gz NALLQQSLUZXVNU-GOSISDBHSA-N 2 0 315.486 3.512 20 0 DHADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC000662273823 1024055362 /nfs/dbraw/zinc/05/53/62/1024055362.db2.gz PWEDOVHNMCSDFC-CABCVRRESA-N 2 0 322.880 3.560 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1Cl ZINC000662280101 1024057946 /nfs/dbraw/zinc/05/79/46/1024057946.db2.gz CIWOPTLTKYXQLK-LBPRGKRZSA-N 2 0 318.823 3.976 20 0 DHADRP CC(C)c1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000662281267 1024060177 /nfs/dbraw/zinc/06/01/77/1024060177.db2.gz LMHPZXLIAXDVEG-VQTJNVASSA-N 2 0 316.489 3.528 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662281045 1024060320 /nfs/dbraw/zinc/06/03/20/1024060320.db2.gz HYEULJZMPGHBGW-HNNXBMFYSA-N 2 0 310.441 3.582 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)CC2 ZINC000662296195 1024077774 /nfs/dbraw/zinc/07/77/74/1024077774.db2.gz YRZSMIRABOAYEU-QFBILLFUSA-N 2 0 302.437 3.525 20 0 DHADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298409 1024080051 /nfs/dbraw/zinc/08/00/51/1024080051.db2.gz WAMSEBTVXZCNJB-HIFRSBDPSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297406 1024080290 /nfs/dbraw/zinc/08/02/90/1024080290.db2.gz PILWDCNAOSYJFL-HIFRSBDPSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)[C@@H]1CCC[NH3+] ZINC000662311326 1024096932 /nfs/dbraw/zinc/09/69/32/1024096932.db2.gz AXYOAZYCZSSCFX-CZUORRHYSA-N 2 0 312.404 3.627 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)[C@@H]1CCC[NH3+] ZINC000662314831 1024102528 /nfs/dbraw/zinc/10/25/28/1024102528.db2.gz QWFJNFBNIAKMAF-UKRRQHHQSA-N 2 0 319.474 3.743 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CCC2 ZINC000268760365 1024152468 /nfs/dbraw/zinc/15/24/68/1024152468.db2.gz NEPURWZILWZVBF-NRFANRHFSA-N 2 0 324.468 3.924 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000268761536 1024155407 /nfs/dbraw/zinc/15/54/07/1024155407.db2.gz HLSWVMIQEGTRQY-SJORKVTESA-N 2 0 316.489 3.880 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193508018 1024159415 /nfs/dbraw/zinc/15/94/15/1024159415.db2.gz JDVRBYRNJNJCKB-JKSUJKDBSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001170119800 1024165564 /nfs/dbraw/zinc/16/55/64/1024165564.db2.gz CRUUXLFDKXGRFM-YOEHRIQHSA-N 2 0 306.881 3.864 20 0 DHADRP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001170120470 1024169617 /nfs/dbraw/zinc/16/96/17/1024169617.db2.gz HLOZYEUZFVHQED-YOEHRIQHSA-N 2 0 306.881 3.864 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000268825471 1024171113 /nfs/dbraw/zinc/17/11/13/1024171113.db2.gz IYGIBAUEDLDZPL-XJKCOSOUSA-N 2 0 314.395 3.566 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000925766717 1024183595 /nfs/dbraw/zinc/18/35/95/1024183595.db2.gz LLSQEFMFADDSLZ-JXFKEZNVSA-N 2 0 311.473 3.767 20 0 DHADRP C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000268974957 1024206494 /nfs/dbraw/zinc/20/64/94/1024206494.db2.gz NJGZPYIHRSWDMB-ZDUSSCGKSA-N 2 0 318.383 3.620 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790052534 1024211994 /nfs/dbraw/zinc/21/19/94/1024211994.db2.gz GMZJJXFAUAVFGY-PKOBYXMFSA-N 2 0 300.490 3.674 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000269054744 1024231588 /nfs/dbraw/zinc/23/15/88/1024231588.db2.gz WKNYQQYQHVQTLC-ZDUSSCGKSA-N 2 0 324.415 3.956 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC[P@@](C)(=O)OCC)CC1 ZINC000876976066 1033196799 /nfs/dbraw/zinc/19/67/99/1033196799.db2.gz MTBQUCIRXGZOKC-BTYIYWSLSA-N 2 0 318.442 3.564 20 0 DHADRP Cn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453129834 1024360352 /nfs/dbraw/zinc/36/03/52/1024360352.db2.gz KTSKQVZBGIZSPT-HBMCJLEFSA-N 2 0 323.484 3.558 20 0 DHADRP CC1CCC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000663464051 1024397884 /nfs/dbraw/zinc/39/78/84/1024397884.db2.gz IERNLZPMIMGCLC-VXLIZBOYSA-N 2 0 322.537 3.560 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663465818 1024401962 /nfs/dbraw/zinc/40/19/62/1024401962.db2.gz LPQNXOFHZOAXDT-AEFFLSMTSA-N 2 0 316.489 3.776 20 0 DHADRP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468064 1024405859 /nfs/dbraw/zinc/40/58/59/1024405859.db2.gz KCSVLAJBAZVAOP-SJLPKXTDSA-N 2 0 318.480 3.858 20 0 DHADRP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468290 1024415634 /nfs/dbraw/zinc/41/56/34/1024415634.db2.gz LJSCWBAEAFUFLR-BEFAXECRSA-N 2 0 302.437 3.525 20 0 DHADRP CC[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1F ZINC000663468232 1024417993 /nfs/dbraw/zinc/41/79/93/1024417993.db2.gz KRDLSVZJDLONLS-APWZRJJASA-N 2 0 304.453 3.988 20 0 DHADRP Fc1ccc(F)c2c1CC[C@H]2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468208 1024419104 /nfs/dbraw/zinc/41/91/04/1024419104.db2.gz KJFHOVOCPDTEOW-KBXCAEBGSA-N 2 0 320.427 3.664 20 0 DHADRP CC(C)Cc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925777479 1024426545 /nfs/dbraw/zinc/42/65/45/1024426545.db2.gz DYTGQCAIEWWWAC-YOEHRIQHSA-N 2 0 310.432 3.781 20 0 DHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663471787 1024428225 /nfs/dbraw/zinc/42/82/25/1024428225.db2.gz YFPSYIJHAVFCAJ-BEFAXECRSA-N 2 0 318.892 3.519 20 0 DHADRP c1ccc([C@@H]2CCC[C@H](C[N@H+](C3CC3)C3CC[NH2+]CC3)O2)cc1 ZINC000883416538 1024431188 /nfs/dbraw/zinc/43/11/88/1024431188.db2.gz XTXLYZYFXICGMZ-UXHICEINSA-N 2 0 314.473 3.513 20 0 DHADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000303398587 1024461159 /nfs/dbraw/zinc/46/11/59/1024461159.db2.gz FDQIDVXRYMBQKS-LPHOPBHVSA-N 2 0 310.441 3.577 20 0 DHADRP Cc1ccncc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453324864 1024464899 /nfs/dbraw/zinc/46/48/99/1024464899.db2.gz LMEPUOJBJOAOCD-UHFFFAOYSA-N 2 0 323.484 3.923 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(-c2ccncc2)cc1 ZINC000643458840 1024475483 /nfs/dbraw/zinc/47/54/83/1024475483.db2.gz WGRLFEOERQDXCT-LSWWBPAMSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@H]1C[C@@H]([NH+]2CCC(Cc3cccc(F)c3F)CC2)CCN1C ZINC000453351252 1024476724 /nfs/dbraw/zinc/47/67/24/1024476724.db2.gz IEFZVFISAOLAMM-YOEHRIQHSA-N 2 0 322.443 3.702 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001167824283 1024477793 /nfs/dbraw/zinc/47/77/93/1024477793.db2.gz DAOQBOYXDLTNRI-RTBURBONSA-N 2 0 318.505 3.959 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000453358490 1024480401 /nfs/dbraw/zinc/48/04/01/1024480401.db2.gz OETYGNSTJLRXEA-MDNKFWRPSA-N 2 0 300.490 3.890 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000453387271 1024487554 /nfs/dbraw/zinc/48/75/54/1024487554.db2.gz BBOPXTOUCFXSCB-LJQANCHMSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000453375896 1024494940 /nfs/dbraw/zinc/49/49/40/1024494940.db2.gz ULYYHCLQTAOVDF-LAUBAEHRSA-N 2 0 323.484 3.699 20 0 DHADRP Clc1cccc(CC2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453379127 1024498396 /nfs/dbraw/zinc/49/83/96/1024498396.db2.gz QKRUATIPINIGQF-IRXDYDNUSA-N 2 0 304.865 3.632 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001172463711 1033215809 /nfs/dbraw/zinc/21/58/09/1033215809.db2.gz RTUJQKHNRHBHSB-KRWDZBQOSA-N 2 0 310.526 3.539 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000453436893 1024514388 /nfs/dbraw/zinc/51/43/88/1024514388.db2.gz VAAGHCWTRCMLPH-PXNSSMCTSA-N 2 0 315.505 3.565 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCCCC2 ZINC000453420124 1024517637 /nfs/dbraw/zinc/51/76/37/1024517637.db2.gz ZEZSWBNCIVWMOY-MSOLQXFVSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643523167 1024519463 /nfs/dbraw/zinc/51/94/63/1024519463.db2.gz XARUBRODJHXHMC-GDBMZVCRSA-N 2 0 308.853 3.594 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)sc1Br ZINC000643522649 1024521989 /nfs/dbraw/zinc/52/19/89/1024521989.db2.gz QVZBNVXPXUYXBM-QWRGUYRKSA-N 2 0 317.296 3.612 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000282842191 1024533353 /nfs/dbraw/zinc/53/33/53/1024533353.db2.gz STSNGXRXZVVWPX-TYILLQQXSA-N 2 0 317.452 3.558 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc12 ZINC000643534048 1024538353 /nfs/dbraw/zinc/53/83/53/1024538353.db2.gz KFKRMQLJLKUQBQ-AUUYWEPGSA-N 2 0 310.441 3.641 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536331 1024538419 /nfs/dbraw/zinc/53/84/19/1024538419.db2.gz SXHYKOATXAHZBN-SJORKVTESA-N 2 0 304.503 3.535 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535668 1024538484 /nfs/dbraw/zinc/53/84/84/1024538484.db2.gz HNJBYAMKRCZAIU-RYQLBKOJSA-N 2 0 318.892 3.783 20 0 DHADRP c1cc2cccc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)c2[nH]1 ZINC000271573953 1024544109 /nfs/dbraw/zinc/54/41/09/1024544109.db2.gz UMGNWIOZTDHOIH-UHFFFAOYSA-N 2 0 320.440 3.569 20 0 DHADRP Fc1ccc(C2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000643549164 1024548695 /nfs/dbraw/zinc/54/86/95/1024548695.db2.gz KWEUJBQSUXVKHV-NNMQDGNJSA-N 2 0 316.464 3.830 20 0 DHADRP Cc1nc2ccc(C[NH2+]CCCC[N@@H+](C)C3CC3)cc2s1 ZINC000453603286 1024551090 /nfs/dbraw/zinc/55/10/90/1024551090.db2.gz XBLVAVJOXSKFHN-UHFFFAOYSA-N 2 0 303.475 3.569 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001167833496 1024567740 /nfs/dbraw/zinc/56/77/40/1024567740.db2.gz CAGJAHMYECEZTF-PKOBYXMFSA-N 2 0 316.489 3.702 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000532166409 1024567766 /nfs/dbraw/zinc/56/77/66/1024567766.db2.gz XQUGQMLBYLGLMS-KRWDZBQOSA-N 2 0 310.526 3.778 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC001167833734 1024571220 /nfs/dbraw/zinc/57/12/20/1024571220.db2.gz DMAGQWGADNXHLI-MRXNPFEDSA-N 2 0 322.493 3.646 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000532235238 1024587371 /nfs/dbraw/zinc/58/73/71/1024587371.db2.gz SPNMIQTWTYHJMS-PMACEKPBSA-N 2 0 316.489 3.678 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001167834841 1024602922 /nfs/dbraw/zinc/60/29/22/1024602922.db2.gz NEBMKJLSPMLWGO-QFBILLFUSA-N 2 0 322.468 3.789 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000671115564 1024611776 /nfs/dbraw/zinc/61/17/76/1024611776.db2.gz HCZUUBNPNIJQNE-JKSUJKDBSA-N 2 0 304.478 3.615 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001167836163 1024620064 /nfs/dbraw/zinc/62/00/64/1024620064.db2.gz WQDVYXNBOOJURI-MJGOQNOKSA-N 2 0 310.526 3.778 20 0 DHADRP Cc1occc1CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000648431633 1024629749 /nfs/dbraw/zinc/62/97/49/1024629749.db2.gz OVBAKNBOINQROT-MRXNPFEDSA-N 2 0 312.457 3.773 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCN(C)Cc1ccccc1 ZINC001167841773 1024663843 /nfs/dbraw/zinc/66/38/43/1024663843.db2.gz QKVKACOMPOHHKY-LJQANCHMSA-N 2 0 319.537 3.561 20 0 DHADRP CC[C@H]1C[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197539 1024698265 /nfs/dbraw/zinc/69/82/65/1024698265.db2.gz XMCINVRFWYOLTD-MUGJNUQGSA-N 2 0 316.489 3.716 20 0 DHADRP c1sc(C[NH2+]CCC[NH+]2CCCC2)cc1-c1ccccc1 ZINC000038030739 1024715116 /nfs/dbraw/zinc/71/51/16/1024715116.db2.gz PZCAINWFIPBKGH-UHFFFAOYSA-N 2 0 300.471 3.991 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000349600691 1024733446 /nfs/dbraw/zinc/73/34/46/1024733446.db2.gz QUUSTJQEDWHSTP-UHFFFAOYSA-N 2 0 315.914 3.644 20 0 DHADRP CC(C)OC1CC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000349853344 1024760371 /nfs/dbraw/zinc/76/03/71/1024760371.db2.gz SEZPQTASZRGFCA-UHFFFAOYSA-N 2 0 316.489 3.718 20 0 DHADRP COc1cccc(CCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000121813307 1024762736 /nfs/dbraw/zinc/76/27/36/1024762736.db2.gz CLMPHWCAKUIKSI-IBGZPJMESA-N 2 0 316.489 3.578 20 0 DHADRP Cc1nccn1CCCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648457965 1024804947 /nfs/dbraw/zinc/80/49/47/1024804947.db2.gz AOYBBYOBTTUXQU-UHFFFAOYSA-N 2 0 318.808 3.556 20 0 DHADRP C[C@H](c1ccncc1)[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663736821 1024948114 /nfs/dbraw/zinc/94/81/14/1024948114.db2.gz RJKJLLJIUCQOJH-CQSZACIVSA-N 2 0 321.428 3.595 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000021513134 1024953166 /nfs/dbraw/zinc/95/31/66/1024953166.db2.gz ZVKKYZPLKTWNFU-ZDUSSCGKSA-N 2 0 300.368 3.842 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)[C@H]2CCC[C@@H]21 ZINC000353401804 1025055670 /nfs/dbraw/zinc/05/56/70/1025055670.db2.gz IGLBROGYCGCMCV-ZFVVBOAOSA-N 2 0 320.477 3.825 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000353404894 1025059431 /nfs/dbraw/zinc/05/94/31/1025059431.db2.gz NHVZDBVWLBQGDW-LLLHUVSDSA-N 2 0 302.487 3.686 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000353440671 1025069769 /nfs/dbraw/zinc/06/97/69/1025069769.db2.gz ZUAZENLTCARNTR-UHFFFAOYSA-N 2 0 312.457 3.932 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000391357126 1025116707 /nfs/dbraw/zinc/11/67/07/1025116707.db2.gz AXVKMUDLIMMFSC-RTBURBONSA-N 2 0 316.489 3.828 20 0 DHADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C)c1 ZINC000353603652 1025149272 /nfs/dbraw/zinc/14/92/72/1025149272.db2.gz HQOCRMWCWGECGL-MJGOQNOKSA-N 2 0 304.478 3.537 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424829 1025217268 /nfs/dbraw/zinc/21/72/68/1025217268.db2.gz GLWCNEMBRDDDTC-XKQJLSEDSA-N 2 0 324.896 3.878 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000353746083 1025227922 /nfs/dbraw/zinc/22/79/22/1025227922.db2.gz KTIZPJQOGGXOQD-RDTXWAMCSA-N 2 0 300.446 3.903 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000040622776 1025241080 /nfs/dbraw/zinc/24/10/80/1025241080.db2.gz XXSQFUPOZCSSEM-QQFBHYJXSA-N 2 0 306.881 3.906 20 0 DHADRP CC[N@H+](CCC1CCN(c2cc(C)nc(C)n2)CC1)CC(C)C ZINC000539107163 1033271411 /nfs/dbraw/zinc/27/14/11/1033271411.db2.gz NRMFRLSFPRJGMG-UHFFFAOYSA-N 2 0 318.509 3.678 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000151555778 1025284908 /nfs/dbraw/zinc/28/49/08/1025284908.db2.gz YSGUTELFOKRPBE-CQSZACIVSA-N 2 0 310.869 3.571 20 0 DHADRP c1ccc(CCN2CCC([NH2+]C[C@H]3Cc4ccccc43)CC2)cc1 ZINC000236736738 1025293989 /nfs/dbraw/zinc/29/39/89/1025293989.db2.gz NGTXASOFHAJGCQ-HXUWFJFHSA-N 2 0 320.480 3.623 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000353936008 1025299090 /nfs/dbraw/zinc/29/90/90/1025299090.db2.gz YYCZMFLZIJLVSI-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP CC1CCC([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168206014 1025320851 /nfs/dbraw/zinc/32/08/51/1025320851.db2.gz PDIBDOHPEJNOED-CTPABKKDSA-N 2 0 301.478 3.732 20 0 DHADRP CC1CCC([N@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001168211918 1025325493 /nfs/dbraw/zinc/32/54/93/1025325493.db2.gz JYVIPMYSTFJXSP-OFLPRAFFSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000354166761 1025373453 /nfs/dbraw/zinc/37/34/53/1025373453.db2.gz MJPCVAWIRPXUDY-OAQYLSRUSA-N 2 0 321.468 3.666 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000925875281 1025395727 /nfs/dbraw/zinc/39/57/27/1025395727.db2.gz FFLYIEBBSHPJNR-NJZAAPMLSA-N 2 0 310.894 3.984 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000885915597 1025403168 /nfs/dbraw/zinc/40/31/68/1025403168.db2.gz ASEIELCMKNXFTF-VQTJNVASSA-N 2 0 316.489 3.720 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1C(F)(F)F)C2 ZINC000660653968 1025403694 /nfs/dbraw/zinc/40/36/94/1025403694.db2.gz WPIJYNWYSIQERU-MRXNPFEDSA-N 2 0 312.379 3.623 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000885923911 1025405248 /nfs/dbraw/zinc/40/52/48/1025405248.db2.gz DSNPXOAEJNHWDR-ZSYWTGECSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000925876120 1025405892 /nfs/dbraw/zinc/40/58/92/1025405892.db2.gz RHVBLIRMAWCTEG-NFAWXSAZSA-N 2 0 301.459 3.588 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000885923904 1025405893 /nfs/dbraw/zinc/40/58/93/1025405893.db2.gz DSNPXOAEJNHWDR-AKHDSKFASA-N 2 0 310.526 3.682 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000123985852 1025407269 /nfs/dbraw/zinc/40/72/69/1025407269.db2.gz KEHBUXVJOGLIFO-KRWDZBQOSA-N 2 0 304.478 3.574 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000718759721 1025407566 /nfs/dbraw/zinc/40/75/66/1025407566.db2.gz GVPSSEJULSWKAI-YZGWKJHDSA-N 2 0 318.505 3.834 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000124212100 1025419421 /nfs/dbraw/zinc/41/94/21/1025419421.db2.gz FHZAYHXVUORKRP-IRXDYDNUSA-N 2 0 304.478 3.576 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1cccc2cnccc21)Cc1ccccc1 ZINC000237084575 1025435827 /nfs/dbraw/zinc/43/58/27/1025435827.db2.gz PXNILTZYBAPMQB-UHFFFAOYSA-N 2 0 319.452 3.847 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886041739 1025447587 /nfs/dbraw/zinc/44/75/87/1025447587.db2.gz QFBWUTXSWCAOQR-RBUKOAKNSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1cc(Nc2cccc(OCC[NH+](C)C)c2)c2ccccc2[nH+]1 ZINC001212802531 1025450543 /nfs/dbraw/zinc/45/05/43/1025450543.db2.gz ACBIRLYCKSZEFO-UHFFFAOYSA-N 2 0 321.424 3.649 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1OC ZINC000293838441 1025461027 /nfs/dbraw/zinc/46/10/27/1025461027.db2.gz XPBZZSORYXUSNF-MRXNPFEDSA-N 2 0 320.477 3.621 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)ccc1OC(C)C ZINC000125279455 1025461161 /nfs/dbraw/zinc/46/11/61/1025461161.db2.gz MFQQVSOBNBDFKC-VYDXJSESSA-N 2 0 320.477 3.616 20 0 DHADRP CC[NH+]1CCC(N(C)Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000125281464 1025463517 /nfs/dbraw/zinc/46/35/17/1025463517.db2.gz DVFSWLJQKFRBTH-UHFFFAOYSA-N 2 0 319.474 3.628 20 0 DHADRP C[C@@H](CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)OCc1ccccc1 ZINC000354699183 1025481550 /nfs/dbraw/zinc/48/15/50/1025481550.db2.gz FMZLXCZMDKKVPM-FUHWJXTLSA-N 2 0 313.445 3.585 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924685123 1033285923 /nfs/dbraw/zinc/28/59/23/1033285923.db2.gz NPSDZSYQDIIISD-VUCRHFMTSA-N 2 0 310.551 3.761 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000126206692 1025506285 /nfs/dbraw/zinc/50/62/85/1025506285.db2.gz BVQYBDMPUUMAIT-INIZCTEOSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127045 1025519149 /nfs/dbraw/zinc/51/91/49/1025519149.db2.gz ACRYYAQMRREJQL-LNLFQRSKSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]([NH2+]CC1(C(F)F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348366002 1025522800 /nfs/dbraw/zinc/52/28/00/1025522800.db2.gz DVPBKLRCKOQDJH-ZBFHGGJFSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cn2c(n1)CCCC2 ZINC000924685971 1033288195 /nfs/dbraw/zinc/28/81/95/1033288195.db2.gz JKWQBCXMHXBKIB-SJORKVTESA-N 2 0 318.509 3.525 20 0 DHADRP Cc1cccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000354874156 1025535175 /nfs/dbraw/zinc/53/51/75/1025535175.db2.gz HYTJBZAHLQJANF-UHFFFAOYSA-N 2 0 309.457 3.738 20 0 DHADRP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC000886166308 1025541474 /nfs/dbraw/zinc/54/14/74/1025541474.db2.gz FHZLDHFEAPSSAX-LJQANCHMSA-N 2 0 320.521 3.580 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354963582 1025558777 /nfs/dbraw/zinc/55/87/77/1025558777.db2.gz GVXIXNSKGWYQLK-XSWJXKHESA-N 2 0 322.880 3.632 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354963581 1025559130 /nfs/dbraw/zinc/55/91/30/1025559130.db2.gz GVXIXNSKGWYQLK-KRXQYRFLSA-N 2 0 322.880 3.632 20 0 DHADRP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1CCC2 ZINC000355217289 1025641566 /nfs/dbraw/zinc/64/15/66/1025641566.db2.gz GGEZVLYDFLCPBQ-TZIWHRDSSA-N 2 0 310.485 3.624 20 0 DHADRP Cc1nc(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)sc1C ZINC000925281216 1025667179 /nfs/dbraw/zinc/66/71/79/1025667179.db2.gz DOFNENRQVJZSEF-CQSZACIVSA-N 2 0 317.502 3.715 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1 ZINC000886533122 1025679607 /nfs/dbraw/zinc/67/96/07/1025679607.db2.gz VIQMCIXHLSUKJM-XBMUEBEBSA-N 2 0 301.478 3.919 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(OC)c1 ZINC000131171588 1025685484 /nfs/dbraw/zinc/68/54/84/1025685484.db2.gz IUJANOYMUNJLEL-LJQANCHMSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886544002 1025689624 /nfs/dbraw/zinc/68/96/24/1025689624.db2.gz ZPBYBXVKCLMWBH-MUYFXNHWSA-N 2 0 301.478 3.838 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000886553312 1025698574 /nfs/dbraw/zinc/69/85/74/1025698574.db2.gz JRNNQGZHAZDUBE-UHFFFAOYSA-N 2 0 314.473 3.604 20 0 DHADRP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886554945 1025700697 /nfs/dbraw/zinc/70/06/97/1025700697.db2.gz HIDNVRDYRMKINV-STJZUHDESA-N 2 0 319.493 3.782 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000049553284 1025715374 /nfs/dbraw/zinc/71/53/74/1025715374.db2.gz HVQAQYHBXZHBNT-SWLSCSKDSA-N 2 0 313.283 3.830 20 0 DHADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000049554190 1025715933 /nfs/dbraw/zinc/71/59/33/1025715933.db2.gz WBLKIUHYGOSWPT-DOMZBBRYSA-N 2 0 313.283 3.830 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000359872575 1025725614 /nfs/dbraw/zinc/72/56/14/1025725614.db2.gz PFYFFRYPWZODLW-DOTOQJQBSA-N 2 0 321.534 3.708 20 0 DHADRP C[C@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO[C@@H]1C1CC1 ZINC000886592400 1025728015 /nfs/dbraw/zinc/72/80/15/1025728015.db2.gz RUPFICJEZPOUBI-WBFXSEPVSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cncc(F)c1 ZINC000886588537 1025728179 /nfs/dbraw/zinc/72/81/79/1025728179.db2.gz UIDSGAKGKCGYRU-NNGSBXSVSA-N 2 0 305.441 3.668 20 0 DHADRP COc1cc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)ccn1 ZINC000886611183 1025737752 /nfs/dbraw/zinc/73/77/52/1025737752.db2.gz VQNONHFLMQUIDB-DMKPSLHHSA-N 2 0 317.477 3.538 20 0 DHADRP Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)nc1C ZINC000886623286 1025747894 /nfs/dbraw/zinc/74/78/94/1025747894.db2.gz ABNAWTQBKYKVFJ-UHFFFAOYSA-N 2 0 301.478 3.585 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000886632970 1025750438 /nfs/dbraw/zinc/75/04/38/1025750438.db2.gz KUEJRBOBQTXWHA-WBFXSEPVSA-N 2 0 320.521 3.721 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886632642 1025751320 /nfs/dbraw/zinc/75/13/20/1025751320.db2.gz AFNKBLPMMCDUTK-UVBSCNOISA-N 2 0 315.436 3.614 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000886646888 1025758038 /nfs/dbraw/zinc/75/80/38/1025758038.db2.gz WTAVZQLKKDSSCQ-FUFFSDJGSA-N 2 0 320.521 3.721 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000262331209 1025759962 /nfs/dbraw/zinc/75/99/62/1025759962.db2.gz SKYKFRHDDXPGJF-LPHOPBHVSA-N 2 0 304.478 3.624 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000886646890 1025761055 /nfs/dbraw/zinc/76/10/55/1025761055.db2.gz WTAVZQLKKDSSCQ-NUVZVAJJSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806131758 1025776516 /nfs/dbraw/zinc/77/65/16/1025776516.db2.gz MRYKEZUGHRHOPX-GDBMZVCRSA-N 2 0 321.896 3.824 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000355653248 1025801246 /nfs/dbraw/zinc/80/12/46/1025801246.db2.gz KKFHETMOAKARCJ-KRWDZBQOSA-N 2 0 312.461 3.834 20 0 DHADRP CCSCC[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000355738251 1025822042 /nfs/dbraw/zinc/82/20/42/1025822042.db2.gz QPGISFNBFQWSRN-MRXNPFEDSA-N 2 0 306.519 3.904 20 0 DHADRP CSc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134928857 1025824802 /nfs/dbraw/zinc/82/48/02/1025824802.db2.gz PQMAZRKPHLNBOG-VQIMIIECSA-N 2 0 316.514 3.857 20 0 DHADRP CC1(C)CO[C@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886720217 1025831159 /nfs/dbraw/zinc/83/11/59/1025831159.db2.gz WXYVTHYRNJZWAS-TVRKMHQQSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1cccc2[nH]ccc21)Cc1ccccc1 ZINC000237084175 1026004853 /nfs/dbraw/zinc/00/48/53/1026004853.db2.gz ASONLDIBIFYFCC-UHFFFAOYSA-N 2 0 307.441 3.780 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000411470069 1026019319 /nfs/dbraw/zinc/01/93/19/1026019319.db2.gz HZHULFMMNAQKAP-KRWDZBQOSA-N 2 0 316.489 3.577 20 0 DHADRP COC1(C[C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000760000259 1026115785 /nfs/dbraw/zinc/11/57/85/1026115785.db2.gz PXKGDFOZKQDZBK-WWDZGPRUSA-N 2 0 308.510 3.721 20 0 DHADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290158821 1026121878 /nfs/dbraw/zinc/12/18/78/1026121878.db2.gz LUCCKZRXQPQIGT-ICSRJNTNSA-N 2 0 318.505 3.693 20 0 DHADRP Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122332450 1026181978 /nfs/dbraw/zinc/18/19/78/1026181978.db2.gz WTKBEKYRGLFEKN-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000356842633 1026189884 /nfs/dbraw/zinc/18/98/84/1026189884.db2.gz KYPKCJUCELTYRP-MRXNPFEDSA-N 2 0 322.880 3.875 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000356887495 1026212421 /nfs/dbraw/zinc/21/24/21/1026212421.db2.gz YNWLAYZAUZVDPU-INIZCTEOSA-N 2 0 320.440 3.740 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261747627 1026247543 /nfs/dbraw/zinc/24/75/43/1026247543.db2.gz BYNOWFUWOMPNJM-TZMCWYRMSA-N 2 0 300.368 3.573 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261760803 1026296188 /nfs/dbraw/zinc/29/61/88/1026296188.db2.gz CZHCEJAMMNLYSD-BPUTZDHNSA-N 2 0 312.379 3.573 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894195588 1026338892 /nfs/dbraw/zinc/33/88/92/1026338892.db2.gz KFHYEJYVMKADGB-UHFFFAOYSA-N 2 0 318.486 3.959 20 0 DHADRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4C[C@H]4C2)CC3)c1 ZINC001167940269 1026424504 /nfs/dbraw/zinc/42/45/04/1026424504.db2.gz XANHSUDAMPKKLG-FVQHAEBGSA-N 2 0 316.514 3.835 20 0 DHADRP c1ccc(C[NH+]2CCC3(CC[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C3)CC2)cc1 ZINC001167941058 1026435626 /nfs/dbraw/zinc/43/56/26/1026435626.db2.gz UWEBWOHKZWWHAK-PMOLBWCYSA-N 2 0 310.485 3.773 20 0 DHADRP c1ccc(C[NH+]2CCC3(CC[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C3)CC2)cc1 ZINC001167941057 1026436667 /nfs/dbraw/zinc/43/66/67/1026436667.db2.gz UWEBWOHKZWWHAK-ACDBMABISA-N 2 0 310.485 3.773 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000513334096 1026480696 /nfs/dbraw/zinc/48/06/96/1026480696.db2.gz DWPWOXDPUAKRDS-CLPROHDKSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+](C)[C@H](CNc1[nH+]ccc2[nH]ccc21)c1ccccc1Cl ZINC000647848318 1026525931 /nfs/dbraw/zinc/52/59/31/1026525931.db2.gz DQRBOVAFDIGGTI-MRXNPFEDSA-N 2 0 314.820 3.931 20 0 DHADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000414183954 1026545477 /nfs/dbraw/zinc/54/54/77/1026545477.db2.gz NNKIBJFWPNBPFB-AEFFLSMTSA-N 2 0 304.478 3.776 20 0 DHADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000513691153 1026618352 /nfs/dbraw/zinc/61/83/52/1026618352.db2.gz RQYNMDBWTPDMHG-VAMGGRTRSA-N 2 0 316.489 3.651 20 0 DHADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647886115 1026680002 /nfs/dbraw/zinc/68/00/02/1026680002.db2.gz UJZVTUCPPVPYNP-QWHCGFSZSA-N 2 0 300.368 3.698 20 0 DHADRP Cc1ccccc1[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000647886620 1026681042 /nfs/dbraw/zinc/68/10/42/1026681042.db2.gz CFPOWSKUUBMACO-XLIONFOSSA-N 2 0 316.489 3.537 20 0 DHADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414400698 1026685366 /nfs/dbraw/zinc/68/53/66/1026685366.db2.gz VFSKPKWUBHXXBM-ZFWWWQNUSA-N 2 0 314.395 3.928 20 0 DHADRP C[NH2+]C[C@@H]1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)C1 ZINC000420182010 1026785766 /nfs/dbraw/zinc/78/57/66/1026785766.db2.gz DXTMNHTUSQOBNG-ZDUSSCGKSA-N 2 0 303.837 3.551 20 0 DHADRP Brc1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420298317 1026797106 /nfs/dbraw/zinc/79/71/06/1026797106.db2.gz DXRQVHCCBCXDBH-CZUORRHYSA-N 2 0 323.278 3.586 20 0 DHADRP COc1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000420298268 1026797764 /nfs/dbraw/zinc/79/77/64/1026797764.db2.gz DVNONCTVDCXVOS-GOSISDBHSA-N 2 0 324.468 3.697 20 0 DHADRP COc1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000420298271 1026797829 /nfs/dbraw/zinc/79/78/29/1026797829.db2.gz DVNONCTVDCXVOS-SFHVURJKSA-N 2 0 324.468 3.697 20 0 DHADRP Cc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420308024 1026800519 /nfs/dbraw/zinc/80/05/19/1026800519.db2.gz CHKLIVSCERIUBK-QFBILLFUSA-N 2 0 324.472 3.522 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([C@H]3CC[NH2+]C3)CC1)CCC2 ZINC000420319002 1026804188 /nfs/dbraw/zinc/80/41/88/1026804188.db2.gz RAGUYNOOBIDCGY-LPHOPBHVSA-N 2 0 302.437 3.525 20 0 DHADRP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328200 1026806535 /nfs/dbraw/zinc/80/65/35/1026806535.db2.gz DZLUMXRGRKPQTA-KDURUIRLSA-N 2 0 324.468 3.540 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCSc1ccccc1Cl ZINC000420355466 1026806751 /nfs/dbraw/zinc/80/67/51/1026806751.db2.gz FGOXNCFLLHZGHR-OAHLLOKOSA-N 2 0 312.910 3.800 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325146 1026807807 /nfs/dbraw/zinc/80/78/07/1026807807.db2.gz IHJSCTKEFAACOB-LBTNJELSSA-N 2 0 304.865 3.649 20 0 DHADRP C[NH2+]CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000420377547 1026809647 /nfs/dbraw/zinc/80/96/47/1026809647.db2.gz SLKIWIRFZMYGOY-LEWJYISDSA-N 2 0 324.468 3.835 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420387464 1026811697 /nfs/dbraw/zinc/81/16/97/1026811697.db2.gz VWGZZNYMRKJCNG-XWIAVFTESA-N 2 0 322.880 3.619 20 0 DHADRP C[N@@H+](Cc1ccc(-c2ccccc2F)o1)CC1CC[NH+](C)CC1 ZINC000513729940 1026860503 /nfs/dbraw/zinc/86/05/03/1026860503.db2.gz TUZGSWCYBFYQII-UHFFFAOYSA-N 2 0 316.420 3.859 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000421371145 1026968202 /nfs/dbraw/zinc/96/82/02/1026968202.db2.gz KDDMKHUGGKUJNR-ZUPWUQBJSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000421857754 1027068313 /nfs/dbraw/zinc/06/83/13/1027068313.db2.gz PSKWFYBRSTXQJA-UONOGXRCSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000271854324 1027164394 /nfs/dbraw/zinc/16/43/94/1027164394.db2.gz IZZSIODGKBTNFF-UONOGXRCSA-N 2 0 315.486 3.640 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000572200939 1027183351 /nfs/dbraw/zinc/18/33/51/1027183351.db2.gz MLLSAHISMCLWSZ-DNVCBOLYSA-N 2 0 311.473 3.867 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000562023509 1027187443 /nfs/dbraw/zinc/18/74/43/1027187443.db2.gz IYINABVKAKYIRK-DLBZAZTESA-N 2 0 304.478 3.541 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000572511879 1027207142 /nfs/dbraw/zinc/20/71/42/1027207142.db2.gz XGGBIEHPAFVDLS-HXUWFJFHSA-N 2 0 318.505 3.558 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000573077871 1027259225 /nfs/dbraw/zinc/25/92/25/1027259225.db2.gz SGSOSYBATKMGNU-QWFCFKBJSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCC1 ZINC000573139979 1027264976 /nfs/dbraw/zinc/26/49/76/1027264976.db2.gz VEADFQUVHZQYQH-UQHVZDHRSA-N 2 0 308.416 3.532 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924953821 1027278558 /nfs/dbraw/zinc/27/85/58/1027278558.db2.gz CALJIBSESGVWEV-KRWDZBQOSA-N 2 0 319.493 3.996 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cccn2CCC(C)C)C1 ZINC000573347035 1027282759 /nfs/dbraw/zinc/28/27/59/1027282759.db2.gz MCKCRVZJVUVFHG-SFHVURJKSA-N 2 0 305.510 3.698 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170677242 1027285660 /nfs/dbraw/zinc/28/56/60/1027285660.db2.gz NQIFHPXQFAMVPG-KRWDZBQOSA-N 2 0 322.443 3.534 20 0 DHADRP C[C@@H]1C[C@H](C)N(Cc2nc(-c3ccccc3)cs2)C[C@@H]1C[NH3+] ZINC000422565174 1027287418 /nfs/dbraw/zinc/28/74/18/1027287418.db2.gz XWYRCMYMPVJURH-YCPHGPKFSA-N 2 0 315.486 3.615 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000422728790 1027300972 /nfs/dbraw/zinc/30/09/72/1027300972.db2.gz ARXLEFLPAMUAGM-HKUYNNGSSA-N 2 0 315.505 3.556 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422735778 1027303455 /nfs/dbraw/zinc/30/34/55/1027303455.db2.gz VJYOKIMHDITXLW-BLLLJJGKSA-N 2 0 312.860 3.734 20 0 DHADRP CCc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)[NH+](C)C)cc1 ZINC000422734973 1027303978 /nfs/dbraw/zinc/30/39/78/1027303978.db2.gz VFRAYZZBQWXURU-HKBOAZHASA-N 2 0 323.484 3.586 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)cc1F ZINC000422759891 1027305704 /nfs/dbraw/zinc/30/57/04/1027305704.db2.gz KJVCIQCFHZTMMK-KZULUSFZSA-N 2 0 319.399 3.929 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCSCc1cccc2ccccc21 ZINC000422758577 1027306661 /nfs/dbraw/zinc/30/66/61/1027306661.db2.gz KKSTUQBHCOREEJ-LSDHHAIUSA-N 2 0 302.487 3.788 20 0 DHADRP Cc1cccnc1[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000422749141 1027309986 /nfs/dbraw/zinc/30/99/86/1027309986.db2.gz XTOWGISNMSYILG-RCCFBDPRSA-N 2 0 303.494 3.988 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CCSCc1cccc2ccccc21 ZINC000422770849 1027313867 /nfs/dbraw/zinc/31/38/67/1027313867.db2.gz WVUDBESLCPLYBI-OAHLLOKOSA-N 2 0 302.487 3.790 20 0 DHADRP Fc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422756827 1027315360 /nfs/dbraw/zinc/31/53/60/1027315360.db2.gz CLYLRFSQRWSHGW-KBAYOESNSA-N 2 0 322.493 3.569 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422776938 1027317302 /nfs/dbraw/zinc/31/73/02/1027317302.db2.gz BHHORYLWPXJEPK-HUUCEWRRSA-N 2 0 312.379 3.597 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)C1 ZINC000422774727 1027318429 /nfs/dbraw/zinc/31/84/29/1027318429.db2.gz YGLREJQTRGWSLA-NWUOFUOCSA-N 2 0 314.473 3.657 20 0 DHADRP CCC(CC)(CN[C@@H]1CCC[C@H]1C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422773773 1027319882 /nfs/dbraw/zinc/31/98/82/1027319882.db2.gz ZECWQZOSKPRMJV-YTQUADARSA-N 2 0 317.521 3.613 20 0 DHADRP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422763428 1027321194 /nfs/dbraw/zinc/32/11/94/1027321194.db2.gz OPNKBILBKMHJKB-GVDBMIGSSA-N 2 0 300.471 3.912 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422761597 1027321670 /nfs/dbraw/zinc/32/16/70/1027321670.db2.gz MZITZWXTCNCDOS-QZTJIDSGSA-N 2 0 300.471 3.542 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]C3CCC(C[NH3+])CC3)oc21 ZINC000422786503 1027322355 /nfs/dbraw/zinc/32/23/55/1027322355.db2.gz PCZKYARNZWZOPT-HLIUYOAVSA-N 2 0 316.445 4.000 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422806297 1027325988 /nfs/dbraw/zinc/32/59/88/1027325988.db2.gz HWMDZUHADKSWCR-DFBGVHRSSA-N 2 0 300.368 3.668 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000422801702 1027326207 /nfs/dbraw/zinc/32/62/07/1027326207.db2.gz AEVZKHDIEGHWTE-QRWLVFNGSA-N 2 0 311.473 3.939 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422806299 1027326606 /nfs/dbraw/zinc/32/66/06/1027326606.db2.gz HWMDZUHADKSWCR-UGFHNGPFSA-N 2 0 300.368 3.668 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422791346 1027330560 /nfs/dbraw/zinc/33/05/60/1027330560.db2.gz UWCDQLPHEWGPPS-BRSBDYLESA-N 2 0 322.880 3.538 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422806357 1027330874 /nfs/dbraw/zinc/33/08/74/1027330874.db2.gz KMMIXODREDRKFB-HRCADAONSA-N 2 0 308.466 3.558 20 0 DHADRP Cc1cccc(Oc2cc(C[NH2+][C@H](C)CCC[NH3+])ccn2)c1C ZINC000422807594 1027331012 /nfs/dbraw/zinc/33/10/12/1027331012.db2.gz MUYZBIOEJCUKND-OAHLLOKOSA-N 2 0 313.445 3.708 20 0 DHADRP CCOCc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000422832930 1027335572 /nfs/dbraw/zinc/33/55/72/1027335572.db2.gz LUSUUYNPTCQQLO-LPHOPBHVSA-N 2 0 304.478 3.624 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422847319 1027338137 /nfs/dbraw/zinc/33/81/37/1027338137.db2.gz RDWZGBJXLCZYLQ-IPMKNSEASA-N 2 0 316.464 3.758 20 0 DHADRP CCO[C@H](CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000422816616 1027340306 /nfs/dbraw/zinc/34/03/06/1027340306.db2.gz BAORHEBBGBUKLJ-IPMKNSEASA-N 2 0 302.462 3.706 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c2c1 ZINC000422852551 1027341244 /nfs/dbraw/zinc/34/12/44/1027341244.db2.gz XYWPCHZTNQQPKS-AZUAARDMSA-N 2 0 305.425 3.753 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c2c1 ZINC000422852553 1027344611 /nfs/dbraw/zinc/34/46/11/1027344611.db2.gz XYWPCHZTNQQPKS-QUCCMNQESA-N 2 0 305.425 3.753 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422875549 1027355168 /nfs/dbraw/zinc/35/51/68/1027355168.db2.gz PCROGNYIAAXZGG-KBPBESRZSA-N 2 0 308.441 3.783 20 0 DHADRP c1ccc2ncc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000422915878 1027356910 /nfs/dbraw/zinc/35/69/10/1027356910.db2.gz ZHUMLRUGTHDCEE-MISYRCLQSA-N 2 0 309.457 3.635 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422912784 1027357302 /nfs/dbraw/zinc/35/73/02/1027357302.db2.gz OASTUACGIBLRKV-HOCLYGCPSA-N 2 0 321.534 3.711 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000422896251 1027360640 /nfs/dbraw/zinc/36/06/40/1027360640.db2.gz HXFNDKWMOVBVFW-IAGOWNOFSA-N 2 0 310.457 3.647 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422930743 1027365386 /nfs/dbraw/zinc/36/53/86/1027365386.db2.gz VSUZJNJUCLKWMD-VXGBXAGGSA-N 2 0 304.356 3.753 20 0 DHADRP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])c2)cc1 ZINC000422929006 1027365716 /nfs/dbraw/zinc/36/57/16/1027365716.db2.gz NWMFYWSFGNOAGT-ZLGUVYLKSA-N 2 0 324.468 3.504 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422940753 1027367998 /nfs/dbraw/zinc/36/79/98/1027367998.db2.gz UIPXHVOEGSHJLF-QUCCMNQESA-N 2 0 324.468 3.840 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422939236 1027369761 /nfs/dbraw/zinc/36/97/61/1027369761.db2.gz IAJOFHUUFBTPDI-OCCSQVGLSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)Oc1ccccc1Cl ZINC000422918448 1027373815 /nfs/dbraw/zinc/37/38/15/1027373815.db2.gz IDHIUSVJLNBUGR-CSMYWGQOSA-N 2 0 316.832 3.842 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422952565 1027379681 /nfs/dbraw/zinc/37/96/81/1027379681.db2.gz BHQBJMGWRALVPX-HNAYVOBHSA-N 2 0 310.441 3.894 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000422950173 1027379966 /nfs/dbraw/zinc/37/99/66/1027379966.db2.gz XGLSDJFTDYGVBO-GFCCVEGCSA-N 2 0 311.267 3.545 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000295661187 1027381173 /nfs/dbraw/zinc/38/11/73/1027381173.db2.gz FBHUZICAASQZBD-HWWDLCQESA-N 2 0 322.443 3.778 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000422957630 1027381009 /nfs/dbraw/zinc/38/10/09/1027381009.db2.gz NTJWPUHRLBDSDU-XLIONFOSSA-N 2 0 312.457 3.914 20 0 DHADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000422991909 1027383518 /nfs/dbraw/zinc/38/35/18/1027383518.db2.gz QLFANPLPTPCCBN-DOMZBBRYSA-N 2 0 300.393 3.846 20 0 DHADRP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000423000027 1027385687 /nfs/dbraw/zinc/38/56/87/1027385687.db2.gz UKDDTLAGRIYUIN-VAMGGRTRSA-N 2 0 312.501 3.910 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423018241 1027389107 /nfs/dbraw/zinc/38/91/07/1027389107.db2.gz QMAVOIABMMFODS-VFNWGFHPSA-N 2 0 323.484 3.794 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423015687 1027389574 /nfs/dbraw/zinc/38/95/74/1027389574.db2.gz AMTKLYWOWKZAOE-KDOFPFPSSA-N 2 0 317.864 3.736 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423024134 1027392666 /nfs/dbraw/zinc/39/26/66/1027392666.db2.gz LBMRARBNAYUHHI-HZPDHXFCSA-N 2 0 310.844 3.760 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423022238 1027394478 /nfs/dbraw/zinc/39/44/78/1027394478.db2.gz HEZDOZPRUFEIQY-MLGOLLRUSA-N 2 0 310.844 3.618 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000423021331 1027395244 /nfs/dbraw/zinc/39/52/44/1027395244.db2.gz DYUVMFHERRRBAS-PJODQICGSA-N 2 0 312.379 3.539 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423024558 1027396474 /nfs/dbraw/zinc/39/64/74/1027396474.db2.gz MATLWGTYUSJAPU-HZSPNIEDSA-N 2 0 314.395 3.929 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccccc2Cl)CCCCC1)C1C[NH2+]C1 ZINC000423028303 1027396773 /nfs/dbraw/zinc/39/67/73/1027396773.db2.gz SRHHMEVBDQKAGU-AWEZNQCLSA-N 2 0 306.881 3.739 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000423041696 1027401004 /nfs/dbraw/zinc/40/10/04/1027401004.db2.gz XSNJFZUHVOURIC-OALUTQOASA-N 2 0 322.452 3.851 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423057931 1027402540 /nfs/dbraw/zinc/40/25/40/1027402540.db2.gz INRLYRSEHLENLT-WDEREUQCSA-N 2 0 318.358 3.592 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423095071 1027414101 /nfs/dbraw/zinc/41/41/01/1027414101.db2.gz LHFQPQAHLZLGNM-XOUADPBQSA-N 2 0 312.379 3.668 20 0 DHADRP COCCC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423099234 1027415430 /nfs/dbraw/zinc/41/54/30/1027415430.db2.gz FFSZIEOLXHWVFK-IIAWOOMASA-N 2 0 312.885 3.566 20 0 DHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423103088 1027418148 /nfs/dbraw/zinc/41/81/48/1027418148.db2.gz XNFHGXMKLRBDCR-WSIUPNEHSA-N 2 0 302.437 3.582 20 0 DHADRP CSc1cccc(F)c1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423107350 1027424069 /nfs/dbraw/zinc/42/40/69/1027424069.db2.gz PSCHJNVKTCTREC-XOKHGSTOSA-N 2 0 322.493 3.948 20 0 DHADRP FC1(F)CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423109068 1027427400 /nfs/dbraw/zinc/42/74/00/1027427400.db2.gz GRJKYASACIUUQY-OWCLPIDISA-N 2 0 300.437 3.712 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1CCCCCC1 ZINC000423150524 1027432202 /nfs/dbraw/zinc/43/22/02/1027432202.db2.gz IVOHZADCBQPXPU-ICSRJNTNSA-N 2 0 314.473 3.802 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000423151952 1027432371 /nfs/dbraw/zinc/43/23/71/1027432371.db2.gz KXVZHXNODWEWOE-IAGOWNOFSA-N 2 0 320.795 3.592 20 0 DHADRP [NH3+]CCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423184753 1027437846 /nfs/dbraw/zinc/43/78/46/1027437846.db2.gz IOKDKLJSPSPXPG-LSDHHAIUSA-N 2 0 300.368 3.670 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000423179566 1027441692 /nfs/dbraw/zinc/44/16/92/1027441692.db2.gz HLEHUXXZAXAOHF-OAHLLOKOSA-N 2 0 323.278 3.513 20 0 DHADRP [NH3+]C1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000423179947 1027442880 /nfs/dbraw/zinc/44/28/80/1027442880.db2.gz NAKFIQYIJBERTD-CRAIPNDOSA-N 2 0 320.452 3.545 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH3+])CCCCC1 ZINC000423178149 1027443010 /nfs/dbraw/zinc/44/30/10/1027443010.db2.gz KITLLJPKDYVNGB-CYBMUJFWSA-N 2 0 314.395 3.888 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](c2ccccn2)C2CCC2)C1 ZINC000924961543 1027445583 /nfs/dbraw/zinc/44/55/83/1027445583.db2.gz WNJWXKOCTRMZPN-QFBILLFUSA-N 2 0 301.478 3.633 20 0 DHADRP Fc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423207090 1027445806 /nfs/dbraw/zinc/44/58/06/1027445806.db2.gz GOWJQIWPTOLWNO-UZLBHIALSA-N 2 0 312.432 3.699 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000575030682 1027445778 /nfs/dbraw/zinc/44/57/78/1027445778.db2.gz QKOHMKWVHZTXNL-CYBMUJFWSA-N 2 0 312.910 3.818 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423208753 1027446602 /nfs/dbraw/zinc/44/66/02/1027446602.db2.gz DQENLLOHPVMXIG-TWOQFEAHSA-N 2 0 309.457 3.787 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423206934 1027446852 /nfs/dbraw/zinc/44/68/52/1027446852.db2.gz XHJLZEQAFJBPKP-HNNXBMFYSA-N 2 0 308.878 3.884 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000423214555 1027450378 /nfs/dbraw/zinc/45/03/78/1027450378.db2.gz PCMWCEZMRFXIQC-CVEARBPZSA-N 2 0 324.896 3.785 20 0 DHADRP COCCC[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(F)cc1 ZINC000423201444 1027451531 /nfs/dbraw/zinc/45/15/31/1027451531.db2.gz ORPLSKWMWSYNPZ-SFHVURJKSA-N 2 0 322.468 3.935 20 0 DHADRP C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423240599 1027458796 /nfs/dbraw/zinc/45/87/96/1027458796.db2.gz KSPXCLIHZDCONF-BLLLJJGKSA-N 2 0 306.356 3.639 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423220870 1027463032 /nfs/dbraw/zinc/46/30/32/1027463032.db2.gz WCGLSAYETUQUGW-JYJNAYRXSA-N 2 0 312.457 3.887 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCS2 ZINC000423220919 1027463209 /nfs/dbraw/zinc/46/32/09/1027463209.db2.gz YWHGGBMYELMSKA-SWLSCSKDSA-N 2 0 310.894 3.856 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCS2 ZINC000423251681 1027475384 /nfs/dbraw/zinc/47/53/84/1027475384.db2.gz SIVBHTTXORHZAN-SWLSCSKDSA-N 2 0 310.894 3.856 20 0 DHADRP Cc1cccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000423251228 1027475392 /nfs/dbraw/zinc/47/53/92/1027475392.db2.gz RQDLBUZGOAJOJG-JXFKEZNVSA-N 2 0 312.432 3.813 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423255513 1027479682 /nfs/dbraw/zinc/47/96/82/1027479682.db2.gz AHCKLZHUWYPQQN-LESCRADOSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423284513 1027481726 /nfs/dbraw/zinc/48/17/26/1027481726.db2.gz YENLTQBZGOYPKF-KCQAQPDRSA-N 2 0 312.404 3.765 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423282806 1027483011 /nfs/dbraw/zinc/48/30/11/1027483011.db2.gz WHZJGBSEXXDQIJ-XHSDSOJGSA-N 2 0 314.395 3.914 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000423290704 1027486614 /nfs/dbraw/zinc/48/66/14/1027486614.db2.gz FCFZJGOAUPBDDK-ZIAGYGMSSA-N 2 0 315.436 3.762 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423291308 1027487308 /nfs/dbraw/zinc/48/73/08/1027487308.db2.gz HUJHVERJNMDHOH-DLBZAZTESA-N 2 0 324.896 3.537 20 0 DHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423292027 1027487353 /nfs/dbraw/zinc/48/73/53/1027487353.db2.gz KZTLMGXWALATFQ-KGLIPLIRSA-N 2 0 311.429 3.516 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423273324 1027489888 /nfs/dbraw/zinc/48/98/88/1027489888.db2.gz KXTAOGADPASEHL-YIYPIFLZSA-N 2 0 312.910 3.873 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423267887 1027489991 /nfs/dbraw/zinc/48/99/91/1027489991.db2.gz FMGAKHZPAGQLFY-ZIAGYGMSSA-N 2 0 317.502 3.548 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423275819 1027492337 /nfs/dbraw/zinc/49/23/37/1027492337.db2.gz NOYKVTLWMAUXKZ-DUVNUKRYSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCC[NH3+] ZINC000423318347 1027499103 /nfs/dbraw/zinc/49/91/03/1027499103.db2.gz BNTCBJGYPICPRW-ZDUSSCGKSA-N 2 0 303.475 3.816 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423319022 1027500936 /nfs/dbraw/zinc/50/09/36/1027500936.db2.gz LJMCVUGTEZWBMQ-UZLBHIALSA-N 2 0 316.489 3.680 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423295769 1027502156 /nfs/dbraw/zinc/50/21/56/1027502156.db2.gz FOYBVMAZJAUWGJ-MNOVXSKESA-N 2 0 307.438 3.503 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423344555 1027505910 /nfs/dbraw/zinc/50/59/10/1027505910.db2.gz NBRRVGIRNOUUKX-QGZVFWFLSA-N 2 0 322.880 3.945 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423323239 1027506643 /nfs/dbraw/zinc/50/66/43/1027506643.db2.gz AEPUASQJOFRAEX-CZUORRHYSA-N 2 0 314.395 3.616 20 0 DHADRP CC(C)[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423347393 1027508450 /nfs/dbraw/zinc/50/84/50/1027508450.db2.gz QHYPXHVHFWABCW-INIZCTEOSA-N 2 0 312.379 3.912 20 0 DHADRP [NH3+]CCCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423327814 1027511608 /nfs/dbraw/zinc/51/16/08/1027511608.db2.gz KEEZIRYUIRTECD-GOSISDBHSA-N 2 0 302.849 3.952 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423335326 1027515286 /nfs/dbraw/zinc/51/52/86/1027515286.db2.gz RPYRSEZYZRRUAJ-LBPRGKRZSA-N 2 0 300.368 3.746 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OC(F)F)cc1 ZINC000423353395 1027518672 /nfs/dbraw/zinc/51/86/72/1027518672.db2.gz DADOKURXYUBQQW-LBPRGKRZSA-N 2 0 318.367 3.742 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OCc2ccccc2)cc1 ZINC000423362532 1027521859 /nfs/dbraw/zinc/52/18/59/1027521859.db2.gz BDSXHPRTOQLNJN-XGHQBKJUSA-N 2 0 324.468 3.914 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC[NH2+]1 ZINC000423365951 1027523726 /nfs/dbraw/zinc/52/37/26/1027523726.db2.gz CHXBIOXGRQEPFX-XFBWCDHKSA-N 2 0 323.278 3.630 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000423365129 1027524787 /nfs/dbraw/zinc/52/47/87/1027524787.db2.gz CWJVJLBTJHAIDA-PVAVHDDUSA-N 2 0 320.477 3.523 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423383914 1027526666 /nfs/dbraw/zinc/52/66/66/1027526666.db2.gz FQLWUKVEYUPXFE-JLSDUUJJSA-N 2 0 302.462 3.611 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC[NH2+]1 ZINC000423375880 1027526749 /nfs/dbraw/zinc/52/67/49/1027526749.db2.gz IYTDSTXXJYETBS-XPGWFJOJSA-N 2 0 312.432 3.840 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296052574 1027528962 /nfs/dbraw/zinc/52/89/62/1027528962.db2.gz VFJLPVFJGLAACR-AVOUXACISA-N 2 0 324.415 3.872 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000423392528 1027531942 /nfs/dbraw/zinc/53/19/42/1027531942.db2.gz XRUSCUWGIKDGEO-LNSITVRQSA-N 2 0 316.367 3.766 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423385664 1027531973 /nfs/dbraw/zinc/53/19/73/1027531973.db2.gz GVGVLJRFMZPOGW-BXWFABGCSA-N 2 0 304.478 3.760 20 0 DHADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423394316 1027533234 /nfs/dbraw/zinc/53/32/34/1027533234.db2.gz REKAETARZCWNPF-LEWJYISDSA-N 2 0 306.453 3.890 20 0 DHADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423395649 1027534935 /nfs/dbraw/zinc/53/49/35/1027534935.db2.gz NIWWASLIZQIFSK-KCXAZCMYSA-N 2 0 314.395 3.990 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423394782 1027535465 /nfs/dbraw/zinc/53/54/65/1027535465.db2.gz SIRIPJNGZXZAQF-SUMDDJOVSA-N 2 0 304.478 3.903 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423394319 1027535596 /nfs/dbraw/zinc/53/55/96/1027535596.db2.gz REKAETARZCWNPF-SFTDATJTSA-N 2 0 306.453 3.890 20 0 DHADRP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423425949 1027538183 /nfs/dbraw/zinc/53/81/83/1027538183.db2.gz DSSHVURARUSWHX-RYQLBKOJSA-N 2 0 304.865 3.695 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423404193 1027538802 /nfs/dbraw/zinc/53/88/02/1027538802.db2.gz ZAISQAQYLRULDF-CFVMTHIKSA-N 2 0 312.910 3.941 20 0 DHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)c1 ZINC000423442610 1027543171 /nfs/dbraw/zinc/54/31/71/1027543171.db2.gz VCVGNYOBDHSNMV-OQIJWPOYSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423442122 1027544510 /nfs/dbraw/zinc/54/45/10/1027544510.db2.gz UXJPOQDVMOCRRR-KGLIPLIRSA-N 2 0 303.475 3.978 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423442274 1027545088 /nfs/dbraw/zinc/54/50/88/1027545088.db2.gz PRFZJDYRBRKMNX-PWRODBHTSA-N 2 0 324.443 3.893 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436131 1027549471 /nfs/dbraw/zinc/54/94/71/1027549471.db2.gz ZLJCHEBXEVTGHX-IHRRRGAJSA-N 2 0 310.869 3.764 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000423435543 1027549656 /nfs/dbraw/zinc/54/96/56/1027549656.db2.gz OVOYEHDATLDRBG-GHMZBOCLSA-N 2 0 317.246 3.756 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423432512 1027549878 /nfs/dbraw/zinc/54/98/78/1027549878.db2.gz WGPYXSONSFUYPO-KKUMJFAQSA-N 2 0 310.432 3.641 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000423436939 1027553876 /nfs/dbraw/zinc/55/38/76/1027553876.db2.gz QCSNYTHOUKJUFF-CZUORRHYSA-N 2 0 310.869 3.969 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423461232 1027555079 /nfs/dbraw/zinc/55/50/79/1027555079.db2.gz SPPVHIAKPVYSSU-TVQRCGJNSA-N 2 0 317.296 3.679 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000423460910 1027555215 /nfs/dbraw/zinc/55/52/15/1027555215.db2.gz BTCQEKQZVKFPLT-DMDPSCGWSA-N 2 0 316.367 3.595 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000423461873 1027555254 /nfs/dbraw/zinc/55/52/54/1027555254.db2.gz OMQGIHQZGVKONK-SLEUVZQESA-N 2 0 311.267 3.617 20 0 DHADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423460397 1027555509 /nfs/dbraw/zinc/55/55/09/1027555509.db2.gz BAWCJIMQLVIMRM-QILLFSRXSA-N 2 0 306.469 3.933 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)ccc1OC ZINC000423476208 1027561207 /nfs/dbraw/zinc/56/12/07/1027561207.db2.gz QVMWNOYPTYOLLM-INWMFGNUSA-N 2 0 310.869 3.907 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423478646 1027561489 /nfs/dbraw/zinc/56/14/89/1027561489.db2.gz UIEABHDSVXKUTM-LXZKKBNFSA-N 2 0 322.880 3.969 20 0 DHADRP COc1ccc([C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423480826 1027564972 /nfs/dbraw/zinc/56/49/72/1027564972.db2.gz NNWWVZPSVFSNFC-TZIWHRDSSA-N 2 0 324.468 3.906 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1(C)C ZINC000423504350 1027568034 /nfs/dbraw/zinc/56/80/34/1027568034.db2.gz GWFSEPZKPULUHJ-OKZBNKHCSA-N 2 0 304.478 3.648 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000423507484 1027568826 /nfs/dbraw/zinc/56/88/26/1027568826.db2.gz MXFZJYNEZPMGII-BPAFIMBUSA-N 2 0 312.432 3.827 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000423487573 1027570156 /nfs/dbraw/zinc/57/01/56/1027570156.db2.gz CSRKWTZQIIOWBB-ZWOKBUDYSA-N 2 0 308.469 3.924 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423484914 1027572234 /nfs/dbraw/zinc/57/22/34/1027572234.db2.gz RHRIZZKAMSFIST-DNVCBOLYSA-N 2 0 311.473 3.976 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423493916 1027573576 /nfs/dbraw/zinc/57/35/76/1027573576.db2.gz RIYDWAAHZITDIV-NOLJZWGESA-N 2 0 308.853 3.579 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCCO2 ZINC000423495816 1027573984 /nfs/dbraw/zinc/57/39/84/1027573984.db2.gz VOWREYAMLBQPSJ-QGPMSJSTSA-N 2 0 302.462 3.741 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423531654 1027574245 /nfs/dbraw/zinc/57/42/45/1027574245.db2.gz SZZOZOXRQJNPRV-CYBMUJFWSA-N 2 0 315.486 3.911 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423495813 1027574749 /nfs/dbraw/zinc/57/47/49/1027574749.db2.gz CRNJCUHHLZBMFN-PMACEKPBSA-N 2 0 310.441 3.752 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000423496200 1027574950 /nfs/dbraw/zinc/57/49/50/1027574950.db2.gz FZJQJTMGUHSKAB-RWMBFGLXSA-N 2 0 319.449 3.727 20 0 DHADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]1c1ccccc1 ZINC000423531354 1027577449 /nfs/dbraw/zinc/57/74/49/1027577449.db2.gz SNNHPWABSSWIIS-MUULFIBGSA-N 2 0 324.512 3.922 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cn1 ZINC000423523592 1027581184 /nfs/dbraw/zinc/58/11/84/1027581184.db2.gz WGJZQRKHAQEVSC-DYVFJYSZSA-N 2 0 303.837 3.866 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000423523955 1027581746 /nfs/dbraw/zinc/58/17/46/1027581746.db2.gz JAJNCNOQSJKBEW-ABAIWWIYSA-N 2 0 323.278 3.729 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1F ZINC000423537438 1027584044 /nfs/dbraw/zinc/58/40/44/1027584044.db2.gz DADXJQXMIFARJD-JFILPPLUSA-N 2 0 310.844 3.908 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423537154 1027584354 /nfs/dbraw/zinc/58/43/54/1027584354.db2.gz BVVZBQBEBJCCKR-DZJNRPSUSA-N 2 0 302.462 3.514 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccsc2S1 ZINC000423542188 1027584662 /nfs/dbraw/zinc/58/46/62/1027584662.db2.gz LXKKDWSJKNDNQE-BGPZULBFSA-N 2 0 308.516 3.651 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000423548886 1027585890 /nfs/dbraw/zinc/58/58/90/1027585890.db2.gz NATSCAQPZJAAGW-NLPXPOPTSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423564884 1027587480 /nfs/dbraw/zinc/58/74/80/1027587480.db2.gz SIJCMVBBHVJFKO-GFCCVEGCSA-N 2 0 314.351 3.546 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000363546419 1027669268 /nfs/dbraw/zinc/66/92/68/1027669268.db2.gz RMYGSFCLQPQIHA-JENIJYKNSA-N 2 0 314.473 3.734 20 0 DHADRP C[NH+]1CCC(C[NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000577152985 1027719085 /nfs/dbraw/zinc/71/90/85/1027719085.db2.gz UTTZSTSEXXQATP-UHFFFAOYSA-N 2 0 300.490 3.892 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CCC(C(F)(F)F)CC1 ZINC000577221534 1027726998 /nfs/dbraw/zinc/72/69/98/1027726998.db2.gz UCRPHLSCZYWDKZ-JQRITLKVSA-N 2 0 314.395 3.992 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000577288179 1027739295 /nfs/dbraw/zinc/73/92/95/1027739295.db2.gz VLYGRKRTBKKKER-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP CCCCCOc1cc(CN2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC ZINC000577383838 1027760949 /nfs/dbraw/zinc/76/09/49/1027760949.db2.gz KIHUWITUKQIDDK-NVXWUHKLSA-N 2 0 320.477 3.576 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)c1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000562959555 1027826918 /nfs/dbraw/zinc/82/69/18/1027826918.db2.gz IACYNSJJVWBWDB-STQMWFEESA-N 2 0 312.860 3.734 20 0 DHADRP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCO[C@@H](C)C2)cc1 ZINC001168099800 1027896590 /nfs/dbraw/zinc/89/65/90/1027896590.db2.gz CIMYXSDAKKBHTL-LEAZDLGRSA-N 2 0 316.489 3.634 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000365227518 1027906687 /nfs/dbraw/zinc/90/66/87/1027906687.db2.gz RXVXJFCQJBEHDS-UHOSZYNNSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC12CC2 ZINC000527856517 1027921609 /nfs/dbraw/zinc/92/16/09/1027921609.db2.gz SPSFFMXWOJGLTC-PBHICJAKSA-N 2 0 304.503 3.738 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527850819 1027932735 /nfs/dbraw/zinc/93/27/35/1027932735.db2.gz LHUGGBUPBXOUJE-SJKOYZFVSA-N 2 0 310.844 3.788 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000563217370 1027938199 /nfs/dbraw/zinc/93/81/99/1027938199.db2.gz PXZWJQLXBDCKIL-HOJAQTOUSA-N 2 0 322.537 3.514 20 0 DHADRP C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000934230277 1027939829 /nfs/dbraw/zinc/93/98/29/1027939829.db2.gz OTDFOLFUMCFECN-SFHVURJKSA-N 2 0 323.484 3.788 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OCC ZINC000527927614 1027953615 /nfs/dbraw/zinc/95/36/15/1027953615.db2.gz CRZFILIDIHSZFQ-UHOSZYNNSA-N 2 0 310.526 3.824 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([N@H+](Cc3ccccn3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170735965 1027979442 /nfs/dbraw/zinc/97/94/42/1027979442.db2.gz BZBBUFDUINOTIX-GDBXOISBSA-N 2 0 313.489 3.588 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CC=CCC4)CC3)C[C@@H]21 ZINC001170739087 1028005582 /nfs/dbraw/zinc/00/55/82/1028005582.db2.gz NWXBJDXNIJHLIL-KANFNMMFSA-N 2 0 302.506 3.831 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccn2)cc1 ZINC000578083209 1028043582 /nfs/dbraw/zinc/04/35/82/1028043582.db2.gz OXDUWZDZUFCIBL-NSHGMRRFSA-N 2 0 309.457 3.533 20 0 DHADRP CC1(C)CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000563440537 1028044047 /nfs/dbraw/zinc/04/40/47/1028044047.db2.gz MDGXBDZXHXXWPS-QXAKKESOSA-N 2 0 322.537 3.703 20 0 DHADRP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@H](C)C1 ZINC001168102185 1028062092 /nfs/dbraw/zinc/06/20/92/1028062092.db2.gz OFXUGZXZOFGIQG-VBSBHUPXSA-N 2 0 316.489 3.634 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578508091 1028169157 /nfs/dbraw/zinc/16/91/57/1028169157.db2.gz SGLBKMYXJZDNGO-CYBMUJFWSA-N 2 0 304.384 3.534 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH+]3CCC(N4CCc5ccccc5C4)CC3)C[C@@H]21 ZINC001170761311 1028188038 /nfs/dbraw/zinc/18/80/38/1028188038.db2.gz KSRJBKWIKSUACH-WKCHPHFGSA-N 2 0 324.512 3.944 20 0 DHADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCF)[C@H]1c1cccs1 ZINC000367615132 1028215229 /nfs/dbraw/zinc/21/52/29/1028215229.db2.gz JYYBRIYRKGYZJN-HWMZRRJGSA-N 2 0 310.482 3.859 20 0 DHADRP Cc1ccnc([C@H](C)[NH2+]C2CCN(Cc3cccs3)CC2)c1 ZINC000367626953 1028218789 /nfs/dbraw/zinc/21/87/89/1028218789.db2.gz QPVRJEUIJOQQMT-HNNXBMFYSA-N 2 0 315.486 3.767 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCF)[C@H]1c1ccccc1 ZINC000367760526 1028235585 /nfs/dbraw/zinc/23/55/85/1028235585.db2.gz ZMKDODXOTQUJJK-JCHJZTRSSA-N 2 0 304.453 3.797 20 0 DHADRP C[N@H+](C[C@@H]1Cc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367856689 1028251645 /nfs/dbraw/zinc/25/16/45/1028251645.db2.gz MMLIBARASMZUQG-IBGZPJMESA-N 2 0 321.468 3.570 20 0 DHADRP CSC1(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000367943642 1028262914 /nfs/dbraw/zinc/26/29/14/1028262914.db2.gz PAXAJZZNVLCGKE-UHFFFAOYSA-N 2 0 319.518 3.516 20 0 DHADRP COc1cccc2c(C[N@H+](C)CC3CC[NH+](C)CC3)cccc12 ZINC000449024074 1028292598 /nfs/dbraw/zinc/29/25/98/1028292598.db2.gz XTZIKYVWYNJFCP-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCn2ccnc2)CC1 ZINC000449064479 1028301126 /nfs/dbraw/zinc/30/11/26/1028301126.db2.gz QADUFWKZMPCRIG-UHFFFAOYSA-N 2 0 320.525 3.542 20 0 DHADRP c1cc2cccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2o1 ZINC000449047666 1028310032 /nfs/dbraw/zinc/31/00/32/1028310032.db2.gz OCEWCIKLWGHZFY-APWZRJJASA-N 2 0 310.441 3.882 20 0 DHADRP CSC1(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000368229400 1028321131 /nfs/dbraw/zinc/32/11/31/1028321131.db2.gz UYWOTGWFMTYLCN-IAGOWNOFSA-N 2 0 304.503 3.555 20 0 DHADRP CN1CC[C@@H](C[N@H+](C)[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cccnc1 ZINC000368262615 1028325818 /nfs/dbraw/zinc/32/58/18/1028325818.db2.gz ZLJCVMQNGKGVKJ-BQJUDKOJSA-N 2 0 321.468 3.562 20 0 DHADRP C(C[NH2+]C1CCC(OC2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000449066792 1028327532 /nfs/dbraw/zinc/32/75/32/1028327532.db2.gz FUBVFKGVUMCMDM-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP C[C@@H](CC1CC1)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368401980 1028348478 /nfs/dbraw/zinc/34/84/78/1028348478.db2.gz IAHMJVKKOYXQAC-MAUKXSAKSA-N 2 0 314.473 3.753 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449105233 1028355357 /nfs/dbraw/zinc/35/53/57/1028355357.db2.gz HWERHXYSNIRENW-HOTGVXAUSA-N 2 0 300.446 3.685 20 0 DHADRP CC[N@@H+]1CC[C@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449088569 1028362260 /nfs/dbraw/zinc/36/22/60/1028362260.db2.gz IALCWAHQTFCJOZ-QGZVFWFLSA-N 2 0 323.569 3.597 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)C[NH+]1CCCC1 ZINC000449092161 1028365584 /nfs/dbraw/zinc/36/55/84/1028365584.db2.gz RXHTWOYIEUEQJT-MUYFXNHWSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2[C@H]2CSCCc3ccccc32)CC1 ZINC000368566997 1028374224 /nfs/dbraw/zinc/37/42/24/1028374224.db2.gz KTXUPIIEPLADKO-SFHVURJKSA-N 2 0 316.514 3.577 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCC1 ZINC000449125229 1028377967 /nfs/dbraw/zinc/37/79/67/1028377967.db2.gz RBMZEZARKBVVDF-UYAOXDASSA-N 2 0 300.490 3.719 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCC1 ZINC000449125228 1028380777 /nfs/dbraw/zinc/38/07/77/1028380777.db2.gz RBMZEZARKBVVDF-QUCCMNQESA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCOC1 ZINC000449173147 1028414850 /nfs/dbraw/zinc/41/48/50/1028414850.db2.gz WQSSTIDDDOYYQO-HOTGVXAUSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000369111782 1028445051 /nfs/dbraw/zinc/44/50/51/1028445051.db2.gz ITPHYPLYWCPEPR-PXNSSMCTSA-N 2 0 315.505 3.818 20 0 DHADRP C[C@@H](CO)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449209259 1028446295 /nfs/dbraw/zinc/44/62/95/1028446295.db2.gz UNGBFAJQTGUXQL-MRXNPFEDSA-N 2 0 312.542 3.664 20 0 DHADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc2ccccc21 ZINC000449229350 1028468964 /nfs/dbraw/zinc/46/89/64/1028468964.db2.gz AFHNPIYARPERFL-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@H]1[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC[N@@H+]1C ZINC000449232846 1028472195 /nfs/dbraw/zinc/47/21/95/1028472195.db2.gz JGPHDIVYDHBMAO-WMZOPIPTSA-N 2 0 323.569 3.738 20 0 DHADRP c1coc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](c4ccco4)C3)C2)c1 ZINC000369592537 1028505393 /nfs/dbraw/zinc/50/53/93/1028505393.db2.gz RPLJLGUBXKKJNL-IAGOWNOFSA-N 2 0 314.429 3.542 20 0 DHADRP COc1cccc2c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cccc12 ZINC000449283264 1028506404 /nfs/dbraw/zinc/50/64/04/1028506404.db2.gz KXJWUNGMJNEONN-QGZVFWFLSA-N 2 0 312.457 3.765 20 0 DHADRP C[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449288729 1028511311 /nfs/dbraw/zinc/51/13/11/1028511311.db2.gz ZTTSWHHWHWWNTL-RDJZCZTQSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987117 1028524366 /nfs/dbraw/zinc/52/43/66/1028524366.db2.gz PDBONBSXVDBMGA-CZUORRHYSA-N 2 0 312.379 3.842 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000565157376 1028548039 /nfs/dbraw/zinc/54/80/39/1028548039.db2.gz RBLPWCCHSMZDSN-SWLSCSKDSA-N 2 0 304.434 3.866 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000565225792 1028560836 /nfs/dbraw/zinc/56/08/36/1028560836.db2.gz GYWVWQGLDLBKTM-HLLBOEOZSA-N 2 0 304.434 3.836 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000370252053 1028580604 /nfs/dbraw/zinc/58/06/04/1028580604.db2.gz MLERFEHIEQGOGD-QSFXBCCZSA-N 2 0 310.441 3.736 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC(C)(F)C2)CC1 ZINC000449375372 1028585243 /nfs/dbraw/zinc/58/52/43/1028585243.db2.gz GUOXZURIUPYILD-VNCLNFNDSA-N 2 0 304.453 3.562 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC[C@@H](C)F)ccc1OC ZINC000815645491 1028590417 /nfs/dbraw/zinc/59/04/17/1028590417.db2.gz HNHMWDWZKARDRS-CABCVRRESA-N 2 0 310.457 3.936 20 0 DHADRP COC[C@@]1(C)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000449397226 1028599950 /nfs/dbraw/zinc/59/99/50/1028599950.db2.gz UQQYYMRXCFVZGK-FQEVSTJZSA-N 2 0 318.505 3.503 20 0 DHADRP C(C[NH+]1CCCCC1)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000565578143 1028606799 /nfs/dbraw/zinc/60/67/99/1028606799.db2.gz LHAVYCKVIWRLOY-UHFFFAOYSA-N 2 0 322.537 3.924 20 0 DHADRP CC(C)c1nccn1[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000370494812 1028609477 /nfs/dbraw/zinc/60/94/77/1028609477.db2.gz KSPZZNRJZHJLIF-ROUUACIJSA-N 2 0 318.509 3.518 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000565673985 1028616960 /nfs/dbraw/zinc/61/69/60/1028616960.db2.gz FOKFYGNBMMNLEH-MAUKXSAKSA-N 2 0 324.896 3.567 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@]2(C)c2cccs2)CC1 ZINC000370623851 1028626242 /nfs/dbraw/zinc/62/62/42/1028626242.db2.gz CQURXZDHFRYXKH-KBXCAEBGSA-N 2 0 306.519 3.878 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC3 ZINC000565833401 1028642511 /nfs/dbraw/zinc/64/25/11/1028642511.db2.gz BIINFOOKTLYQMS-KRWDZBQOSA-N 2 0 319.452 3.582 20 0 DHADRP Cc1ccncc1CN1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371110530 1028672203 /nfs/dbraw/zinc/67/22/03/1028672203.db2.gz ZIGMSUGXUXOUSF-OAQYLSRUSA-N 2 0 323.484 3.877 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000566062520 1028674002 /nfs/dbraw/zinc/67/40/02/1028674002.db2.gz ZRNFXNZLFIIEHA-CYBMUJFWSA-N 2 0 317.296 3.551 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000566536819 1028740581 /nfs/dbraw/zinc/74/05/81/1028740581.db2.gz XJHIPPVQVKZITB-UHFFFAOYSA-N 2 0 312.457 3.748 20 0 DHADRP COc1ccc(C[C@H](C)C[NH2+]C(C)(C)CCC[NH+](C)C)cc1F ZINC000449527792 1028759270 /nfs/dbraw/zinc/75/92/70/1028759270.db2.gz LABWJASVBMGMAL-HNNXBMFYSA-N 2 0 324.484 3.723 20 0 DHADRP COc1cccc2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cccc12 ZINC000449561639 1028802397 /nfs/dbraw/zinc/80/23/97/1028802397.db2.gz WNFMZBKLXNNKDQ-ALOPSCKCSA-N 2 0 310.441 3.563 20 0 DHADRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170828237 1028905748 /nfs/dbraw/zinc/90/57/48/1028905748.db2.gz XDCMPJNGUNHWSO-IBGZPJMESA-N 2 0 316.489 3.542 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000373162734 1028964081 /nfs/dbraw/zinc/96/40/81/1028964081.db2.gz DKIZDIBZKWAGPT-PKOBYXMFSA-N 2 0 316.489 3.617 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449760904 1028965742 /nfs/dbraw/zinc/96/57/42/1028965742.db2.gz SIVRWAMQEHOXCD-GSEOLPGOSA-N 2 0 322.537 3.967 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449751736 1028973596 /nfs/dbraw/zinc/97/35/96/1028973596.db2.gz AKMIITPDBYKNEL-GDAAHCPNSA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449751739 1028975785 /nfs/dbraw/zinc/97/57/85/1028975785.db2.gz AKMIITPDBYKNEL-QXCFHYIPSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cc(F)ccc1-c1ccc(CN(C)CCC[NH+](C)C)o1 ZINC000567965868 1028986278 /nfs/dbraw/zinc/98/62/78/1028986278.db2.gz FJHQRAXPGCSBQV-UHFFFAOYSA-N 2 0 304.409 3.778 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000925496782 1029012820 /nfs/dbraw/zinc/01/28/20/1029012820.db2.gz CIJLUQKFFBTKNQ-GUDVDZBRSA-N 2 0 316.489 3.650 20 0 DHADRP CC1(C)CCC(O)(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000568274777 1029038217 /nfs/dbraw/zinc/03/82/17/1029038217.db2.gz HDXYRQYYXKMSJW-UHFFFAOYSA-N 2 0 322.537 3.704 20 0 DHADRP Cc1cc(CN(C)Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000411164311 1029049993 /nfs/dbraw/zinc/04/99/93/1029049993.db2.gz LXCGMTQCBAAGKH-UHFFFAOYSA-N 2 0 313.445 3.601 20 0 DHADRP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000411288847 1029094829 /nfs/dbraw/zinc/09/48/29/1029094829.db2.gz FQRQXCCTRANCKN-JLSDUUJJSA-N 2 0 311.404 3.511 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000568933615 1029147169 /nfs/dbraw/zinc/14/71/69/1029147169.db2.gz YFVISPBXRMZKIO-ICXUMSERSA-N 2 0 322.443 3.921 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000568943676 1029149428 /nfs/dbraw/zinc/14/94/28/1029149428.db2.gz FPWWVGDAZCCIMV-KBPBESRZSA-N 2 0 314.395 3.568 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000569022684 1029163724 /nfs/dbraw/zinc/16/37/24/1029163724.db2.gz NXOOEUXIGOUJRN-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411698259 1029188920 /nfs/dbraw/zinc/18/89/20/1029188920.db2.gz UMANEPGDWDVUJK-FXAWDEMLSA-N 2 0 316.489 3.672 20 0 DHADRP CN(CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C1CCCC1 ZINC000374203948 1029237619 /nfs/dbraw/zinc/23/76/19/1029237619.db2.gz GQGASIRPLBAXKA-SJLPKXTDSA-N 2 0 301.478 3.572 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccs1)c1cccc(O)c1 ZINC000374208785 1029239918 /nfs/dbraw/zinc/23/99/18/1029239918.db2.gz DZPOXEMMRBRBGA-DHSIGJKJSA-N 2 0 316.470 3.797 20 0 DHADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817887958 1029264290 /nfs/dbraw/zinc/26/42/90/1029264290.db2.gz HPQBQMFWCXLLAF-SLFFLAALSA-N 2 0 316.489 3.874 20 0 DHADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817894703 1029268415 /nfs/dbraw/zinc/26/84/15/1029268415.db2.gz QAJXOJMYFNFZTL-SLFFLAALSA-N 2 0 324.468 3.752 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCCCCCC1 ZINC000817894003 1029269932 /nfs/dbraw/zinc/26/99/32/1029269932.db2.gz WGKDAQORDNXDPJ-QUCCMNQESA-N 2 0 314.473 3.945 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)c2ccccc21 ZINC000817895615 1029270381 /nfs/dbraw/zinc/27/03/81/1029270381.db2.gz ZJSBZRYVJXCZIR-QHAWAJNXSA-N 2 0 322.452 3.889 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000817907283 1029271462 /nfs/dbraw/zinc/27/14/62/1029271462.db2.gz AYMCTXZCAIOHJP-MOPGFXCFSA-N 2 0 304.478 3.652 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900117 1029271856 /nfs/dbraw/zinc/27/18/56/1029271856.db2.gz LPYLKIDLXDFSMU-IQNGYNMSSA-N 3 0 321.553 3.684 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000817905766 1029272128 /nfs/dbraw/zinc/27/21/28/1029272128.db2.gz SUAQWYKSUSKYMN-LVFSCSRESA-N 2 0 322.468 3.538 20 0 DHADRP C[C@H](c1cccc2ccccc21)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569847399 1029272937 /nfs/dbraw/zinc/27/29/37/1029272937.db2.gz TXBDKEKDWGAJRY-AEFFLSMTSA-N 2 0 324.468 3.588 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCCCOc1ccc(Cl)cc1 ZINC000817923864 1029274825 /nfs/dbraw/zinc/27/48/25/1029274825.db2.gz BJIRLNHNFDSBFS-IAGOWNOFSA-N 2 0 310.869 3.749 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000817921834 1029276096 /nfs/dbraw/zinc/27/60/96/1029276096.db2.gz IVVATMRZFGBIRR-VHDGCEQUSA-N 2 0 307.507 3.729 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)[C@H](C)C1 ZINC000569874215 1029279099 /nfs/dbraw/zinc/27/90/99/1029279099.db2.gz VQURVHNHWRFEHI-KURKYZTESA-N 2 0 312.542 3.928 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000569891946 1029282358 /nfs/dbraw/zinc/28/23/58/1029282358.db2.gz HWVISKQKXADFNX-GGPKGHCWSA-N 2 0 323.569 3.740 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)[C@@H]2CCC[C@H]21 ZINC000569892577 1029282583 /nfs/dbraw/zinc/28/25/83/1029282583.db2.gz PXKJIWUZMVGQTR-YESZJQIVSA-N 2 0 300.471 3.864 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2ccccc2n1 ZINC000817948401 1029292350 /nfs/dbraw/zinc/29/23/50/1029292350.db2.gz JAVIPUMAJRLCCD-OAHLLOKOSA-N 2 0 305.425 3.587 20 0 DHADRP Clc1cccc([C@H]2CCC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)c1 ZINC000569957100 1029292510 /nfs/dbraw/zinc/29/25/10/1029292510.db2.gz GZJCDADSWSECMC-FUHWJXTLSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949963 1029294604 /nfs/dbraw/zinc/29/46/04/1029294604.db2.gz VAABPGKWUHKCLS-CYBMUJFWSA-N 2 0 317.502 3.927 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817965486 1029303730 /nfs/dbraw/zinc/30/37/30/1029303730.db2.gz VRVBLCKSRVRGAT-SNVBAGLBSA-N 2 0 316.276 3.616 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)CCCO2 ZINC000817969325 1029306984 /nfs/dbraw/zinc/30/69/84/1029306984.db2.gz URQCVSADCIPNCB-HXUWFJFHSA-N 2 0 322.452 3.856 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817970338 1029311047 /nfs/dbraw/zinc/31/10/47/1029311047.db2.gz ROKRABDXPFEAIK-DRZSPHRISA-N 2 0 300.418 3.922 20 0 DHADRP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC000817979739 1029316353 /nfs/dbraw/zinc/31/63/53/1029316353.db2.gz DRZMBLDEZBPUSG-QZTJIDSGSA-N 2 0 302.462 3.585 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccnc1Cl ZINC000817981895 1029317318 /nfs/dbraw/zinc/31/73/18/1029317318.db2.gz OHTVCIYAYWCRQU-CZUORRHYSA-N 2 0 303.837 3.866 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817982149 1029319681 /nfs/dbraw/zinc/31/96/81/1029319681.db2.gz YJSXQABMTHSCJE-PWSUYJOCSA-N 2 0 316.276 3.758 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(SC(F)F)cc1 ZINC000817986578 1029323210 /nfs/dbraw/zinc/32/32/10/1029323210.db2.gz RTDXECGSJXZIEA-LBPRGKRZSA-N 2 0 312.429 3.962 20 0 DHADRP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000629397820 1029324007 /nfs/dbraw/zinc/32/40/07/1029324007.db2.gz DFNIVSVBSBOGAM-UHFFFAOYSA-N 2 0 324.877 3.524 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629514234 1029353283 /nfs/dbraw/zinc/35/32/83/1029353283.db2.gz LBGNRMHSEDMSDR-GDIGMMSISA-N 2 0 309.457 3.692 20 0 DHADRP CC(C)(C)C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629523524 1029356704 /nfs/dbraw/zinc/35/67/04/1029356704.db2.gz HZCQTJRCNGAWQK-INIZCTEOSA-N 2 0 324.896 3.915 20 0 DHADRP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629524839 1029358184 /nfs/dbraw/zinc/35/81/84/1029358184.db2.gz UXUGVRGKMHYFBO-FRRDWIJNSA-N 2 0 304.821 3.564 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000629533986 1029360369 /nfs/dbraw/zinc/36/03/69/1029360369.db2.gz HBLHXOUPYLGVBX-OXQOHEQNSA-N 2 0 315.505 3.731 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170896393 1029361217 /nfs/dbraw/zinc/36/12/17/1029361217.db2.gz YGOAGTGCKGRRTN-MRXNPFEDSA-N 2 0 308.897 3.909 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2c1 ZINC000629532025 1029361930 /nfs/dbraw/zinc/36/19/30/1029361930.db2.gz IVHPEJCPRQSVIA-RTBURBONSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629546100 1029364424 /nfs/dbraw/zinc/36/44/24/1029364424.db2.gz FRKBSBPJKQKTJZ-XMZIXOGTSA-N 2 0 305.853 3.914 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629547398 1029364985 /nfs/dbraw/zinc/36/49/85/1029364985.db2.gz AFRFLVDYIYBJTM-LLVKDONJSA-N 2 0 315.383 3.622 20 0 DHADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629560630 1029372457 /nfs/dbraw/zinc/37/24/57/1029372457.db2.gz GDILDSXFBGIVPV-FVQBIDKESA-N 2 0 312.379 3.523 20 0 DHADRP FC(F)(F)[C@@H]1CCN(CCC[NH+]2CCCCC2)CC12CCC2 ZINC000374552864 1029384627 /nfs/dbraw/zinc/38/46/27/1029384627.db2.gz SMHPUOMRFOHHEF-OAHLLOKOSA-N 2 0 318.427 3.917 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170909255 1029407015 /nfs/dbraw/zinc/40/70/15/1029407015.db2.gz SMAGGYJINPYZEQ-ARFHVFGLSA-N 2 0 306.881 3.660 20 0 DHADRP [NH3+]CCC1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170908577 1029407889 /nfs/dbraw/zinc/40/78/89/1029407889.db2.gz OZZUFODWAKKVND-AVVWSFFYSA-N 2 0 306.881 3.695 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000570727522 1029411998 /nfs/dbraw/zinc/41/19/98/1029411998.db2.gz XUNXFPUCJASKTN-GBESFXJTSA-N 2 0 300.490 3.718 20 0 DHADRP COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000450425326 1029457080 /nfs/dbraw/zinc/45/70/80/1029457080.db2.gz NBFWYDYZEHIVTQ-MRXNPFEDSA-N 2 0 322.880 3.799 20 0 DHADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC(F)(F)C1 ZINC000450452772 1029486743 /nfs/dbraw/zinc/48/67/43/1029486743.db2.gz IDGGOIXOSIRRRE-ROUUACIJSA-N 2 0 322.443 3.876 20 0 DHADRP CC(C)C[C@@H](C)[NH+]1CCC2(C[C@H]2N(C)Cc2nccs2)CC1 ZINC000450941296 1029742983 /nfs/dbraw/zinc/74/29/83/1029742983.db2.gz SCWFBZGYYRTQPR-HZPDHXFCSA-N 2 0 321.534 3.864 20 0 DHADRP FC1(F)CC(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000450982625 1029758916 /nfs/dbraw/zinc/75/89/16/1029758916.db2.gz MHROYMSBZAYVCK-GOSISDBHSA-N 2 0 320.427 3.630 20 0 DHADRP COc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812191 1029769039 /nfs/dbraw/zinc/76/90/39/1029769039.db2.gz FNXQLEVMHZZTQD-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP CS[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820830049 1029777187 /nfs/dbraw/zinc/77/71/87/1029777187.db2.gz OTLYPGICQVHYCD-UXDRXVOSSA-N 2 0 318.530 3.913 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530215717 1029785353 /nfs/dbraw/zinc/78/53/53/1029785353.db2.gz IEXZZWRACWVYIG-SJORKVTESA-N 2 0 304.865 3.535 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)C[C@](C)(C[NH3+])C1 ZINC001170956344 1029790910 /nfs/dbraw/zinc/79/09/10/1029790910.db2.gz VWFPLQDMDJOUOL-GUXCAODWSA-N 2 0 318.480 3.816 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925233420 1029823312 /nfs/dbraw/zinc/82/33/12/1029823312.db2.gz VPLQFBPRGZAEIW-PMACEKPBSA-N 2 0 322.537 3.539 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc2cccnc21 ZINC000303987147 1029861010 /nfs/dbraw/zinc/86/10/10/1029861010.db2.gz KTDCZCCRZVRURH-UHFFFAOYSA-N 2 0 305.425 3.586 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170973494 1029898649 /nfs/dbraw/zinc/89/86/49/1029898649.db2.gz RVRMMRWYHXELQD-BZSNNMDCSA-N 2 0 316.464 3.665 20 0 DHADRP Cc1ncccc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718100 1029986387 /nfs/dbraw/zinc/98/63/87/1029986387.db2.gz VEZDHIJAQTYGIH-UHFFFAOYSA-N 2 0 323.484 3.782 20 0 DHADRP CC(C)c1ncc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)s1 ZINC000865716817 1029987576 /nfs/dbraw/zinc/98/75/76/1029987576.db2.gz FDNMADGYMIFRAY-UHFFFAOYSA-N 2 0 309.523 3.867 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000475672343 1030005839 /nfs/dbraw/zinc/00/58/39/1030005839.db2.gz SEINYFXRZDKMLX-QXRTWZOPSA-N 2 0 306.881 3.906 20 0 DHADRP COc1ccccc1/C=C/C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765724 1030013428 /nfs/dbraw/zinc/01/34/28/1030013428.db2.gz JLVJRHUTSNRWJM-VQHVLOKHSA-N 2 0 302.462 3.561 20 0 DHADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC12CCOCC2 ZINC000865778093 1030020878 /nfs/dbraw/zinc/02/08/78/1030020878.db2.gz PUTUQURHWLWJPN-QGZVFWFLSA-N 2 0 320.521 3.580 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1(C)C ZINC000865780823 1030023181 /nfs/dbraw/zinc/02/31/81/1030023181.db2.gz BCZNNBVILJDTRH-BFHYXJOUSA-N 2 0 304.400 3.594 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1nccc2ccccc21 ZINC000290610373 1030126793 /nfs/dbraw/zinc/12/67/93/1030126793.db2.gz HWYUWLKDLVNNPT-OAHLLOKOSA-N 2 0 309.457 3.760 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924584019 1030128918 /nfs/dbraw/zinc/12/89/18/1030128918.db2.gz FOIDMIVXNZJSMN-PBPGXSGUSA-N 2 0 316.489 3.576 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924648594 1030150356 /nfs/dbraw/zinc/15/03/56/1030150356.db2.gz MAALOXGNGLGHOX-JKSUJKDBSA-N 2 0 318.530 3.804 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccnnc1 ZINC000924667633 1030155011 /nfs/dbraw/zinc/15/50/11/1030155011.db2.gz LSVDAJDOHDFXLZ-SJORKVTESA-N 2 0 324.472 3.559 20 0 DHADRP Cc1nc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000772864940 1030160064 /nfs/dbraw/zinc/16/00/64/1030160064.db2.gz PFFBMUZNFFIDSQ-JEYLPNPQSA-N 2 0 307.507 3.899 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000866219373 1030167246 /nfs/dbraw/zinc/16/72/46/1030167246.db2.gz MPGRGMYZKDHSQD-GOSISDBHSA-N 2 0 311.473 3.514 20 0 DHADRP CO[C@@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000924740661 1030176124 /nfs/dbraw/zinc/17/61/24/1030176124.db2.gz TVLMTQGXVGWYIJ-UZLBHIALSA-N 2 0 312.457 3.787 20 0 DHADRP CO[C@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000924740659 1030176150 /nfs/dbraw/zinc/17/61/50/1030176150.db2.gz TVLMTQGXVGWYIJ-OXQOHEQNSA-N 2 0 312.457 3.787 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866261938 1030184978 /nfs/dbraw/zinc/18/49/78/1030184978.db2.gz YQWNRWPGNBECJU-NRFANRHFSA-N 2 0 323.484 3.687 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924956973 1030234199 /nfs/dbraw/zinc/23/41/99/1030234199.db2.gz ZWCOLZPRCISACO-HZPDHXFCSA-N 2 0 312.457 3.736 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000925010959 1030245953 /nfs/dbraw/zinc/24/59/53/1030245953.db2.gz PAUXJLYQRCQLOU-CVEARBPZSA-N 2 0 306.519 3.661 20 0 DHADRP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866368314 1030259157 /nfs/dbraw/zinc/25/91/57/1030259157.db2.gz ZXQXOAMJNYDVDV-GZGNUWPSSA-N 2 0 302.437 3.664 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H]3CCSC3)CC2)C1 ZINC000866404248 1030282583 /nfs/dbraw/zinc/28/25/83/1030282583.db2.gz ZDQIDYZNCWRFDF-JFIYKMOQSA-N 2 0 310.551 3.762 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866403025 1030282802 /nfs/dbraw/zinc/28/28/02/1030282802.db2.gz PVKJRVZXCWDFFT-YTQUADARSA-N 2 0 318.530 3.630 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCCCC2 ZINC000557769499 1030284473 /nfs/dbraw/zinc/28/44/73/1030284473.db2.gz PWWNMLRWKTXUDF-OALUTQOASA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1(C)CC1 ZINC000358024559 1030286183 /nfs/dbraw/zinc/28/61/83/1030286183.db2.gz RBVVXFGNGRTAKB-BBWFWOEESA-N 2 0 316.489 3.574 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000358052713 1030300839 /nfs/dbraw/zinc/30/08/39/1030300839.db2.gz YQRVGAFZCNAZMH-FCEWJHQRSA-N 2 0 322.468 3.756 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000866451761 1030303356 /nfs/dbraw/zinc/30/33/56/1030303356.db2.gz XVQCPQYFRIAOPB-CNFALQKSSA-N 2 0 308.510 3.575 20 0 DHADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925204784 1030305846 /nfs/dbraw/zinc/30/58/46/1030305846.db2.gz GQSCXYGXMUKDTN-FXAWDEMLSA-N 2 0 322.537 3.704 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467440 1030309584 /nfs/dbraw/zinc/30/95/84/1030309584.db2.gz IBCKLKCEPVXTLW-CQSZACIVSA-N 2 0 307.482 3.707 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)cnn1C(C)C ZINC000866469580 1030310074 /nfs/dbraw/zinc/31/00/74/1030310074.db2.gz MYDBOMRQSUTJPN-MRXNPFEDSA-N 2 0 320.525 3.934 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)CCC2 ZINC000866467780 1030310633 /nfs/dbraw/zinc/31/06/33/1030310633.db2.gz QARCLRKAEUJNQH-INIZCTEOSA-N 2 0 321.534 3.929 20 0 DHADRP Cc1c([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cnn1C(C)C ZINC000866518054 1030342234 /nfs/dbraw/zinc/34/22/34/1030342234.db2.gz SELNNAYJPRJYHL-NXVRBGIVSA-N 2 0 306.498 3.686 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1N(C)C ZINC000866517403 1030342531 /nfs/dbraw/zinc/34/25/31/1030342531.db2.gz XSDDKPOWRPLPBV-LYGPFTKASA-N 2 0 303.494 3.666 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000925498972 1030377532 /nfs/dbraw/zinc/37/75/32/1030377532.db2.gz UOMLEWCSQHLOJL-PZJWPPBQSA-N 2 0 323.484 3.725 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925508481 1030380669 /nfs/dbraw/zinc/38/06/69/1030380669.db2.gz GOIZQGNDKKWTLC-DLBZAZTESA-N 2 0 324.415 3.546 20 0 DHADRP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)Oc1ccccc1F ZINC000925523989 1030385274 /nfs/dbraw/zinc/38/52/74/1030385274.db2.gz PQURRPXKKCMRJJ-CRAIPNDOSA-N 2 0 316.420 3.663 20 0 DHADRP CCOCCC1(C[NH2+]C2CC[NH+](CCC(C)C)CC2)CCC1 ZINC000925544486 1030395480 /nfs/dbraw/zinc/39/54/80/1030395480.db2.gz SHXXZNYNVWWMSC-UHFFFAOYSA-N 2 0 310.526 3.683 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCCOc1ccccc1F)c1ccccc1 ZINC000925546886 1030396972 /nfs/dbraw/zinc/39/69/72/1030396972.db2.gz QTIWGYJGJPNOSZ-GOSISDBHSA-N 2 0 316.420 3.664 20 0 DHADRP COc1cc(Cl)ccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925556314 1030401644 /nfs/dbraw/zinc/40/16/44/1030401644.db2.gz JWJKVEYXCICHCW-QGZVFWFLSA-N 2 0 318.848 3.918 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000925626947 1030424556 /nfs/dbraw/zinc/42/45/56/1030424556.db2.gz RYYCOEQBRVHZHO-KURKYZTESA-N 2 0 304.478 3.650 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CCC2 ZINC000925631951 1030427533 /nfs/dbraw/zinc/42/75/33/1030427533.db2.gz LUPCSICFVHNQFJ-YQQAZPJKSA-N 2 0 319.518 3.587 20 0 DHADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000866702362 1030428763 /nfs/dbraw/zinc/42/87/63/1030428763.db2.gz BBRIICZEWGSDIE-LJQANCHMSA-N 2 0 313.445 3.539 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC(F)(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925652002 1030439603 /nfs/dbraw/zinc/43/96/03/1030439603.db2.gz ABRSWIYFHGHWPI-RDAAZODKSA-N 2 0 322.855 3.786 20 0 DHADRP CSC(C)(C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000823943839 1030439874 /nfs/dbraw/zinc/43/98/74/1030439874.db2.gz NRHNCUDQWAQBQW-MRXNPFEDSA-N 2 0 320.546 3.813 20 0 DHADRP COc1cccc(Cl)c1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925655357 1030442808 /nfs/dbraw/zinc/44/28/08/1030442808.db2.gz AIJIVSRYVJMAII-KRWDZBQOSA-N 2 0 318.848 3.918 20 0 DHADRP CCO[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925656999 1030444234 /nfs/dbraw/zinc/44/42/34/1030444234.db2.gz AHDXMBPYRFTXON-HSALFYBXSA-N 2 0 316.489 3.522 20 0 DHADRP Cc1cc(C)cc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccnc2)c1 ZINC000925711064 1030459562 /nfs/dbraw/zinc/45/95/62/1030459562.db2.gz RAYZGWKSNGTXLM-NRFANRHFSA-N 2 0 321.468 3.639 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccnc2ccccc12)c1ccccc1 ZINC000925708802 1030459994 /nfs/dbraw/zinc/45/99/94/1030459994.db2.gz SDHJYXNHNUZHDA-HXUWFJFHSA-N 2 0 319.452 3.847 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000925723904 1030464752 /nfs/dbraw/zinc/46/47/52/1030464752.db2.gz DJXIPPDJLJXSJR-VQHPVUNQSA-N 2 0 322.880 3.666 20 0 DHADRP CCSc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000925730343 1030466628 /nfs/dbraw/zinc/46/66/28/1030466628.db2.gz FQDTVDAOTIVJCT-CYBMUJFWSA-N 2 0 315.486 3.812 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCCCCO)CC1 ZINC000824074374 1030468573 /nfs/dbraw/zinc/46/85/73/1030468573.db2.gz UIIOEMSTMFIDMJ-UHFFFAOYSA-N 2 0 312.542 3.808 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]CCC2CC[NH+](CC)CC2)c1 ZINC000121723649 1030468891 /nfs/dbraw/zinc/46/88/91/1030468891.db2.gz HVZXIHJZHVUWIX-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cs2)cs1 ZINC000925742531 1030473836 /nfs/dbraw/zinc/47/38/36/1030473836.db2.gz VTGUIAFEPAFDLN-JTQLQIEISA-N 2 0 309.504 3.958 20 0 DHADRP CSC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000925743049 1030473908 /nfs/dbraw/zinc/47/39/08/1030473908.db2.gz ZQAQZGBZNVVYTR-CYBMUJFWSA-N 2 0 320.424 3.827 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000925757910 1030485078 /nfs/dbraw/zinc/48/50/78/1030485078.db2.gz WGGMQSHIJWLZCK-UONOGXRCSA-N 2 0 317.502 3.992 20 0 DHADRP COc1cccc2c1OCCC[C@@H]2N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925765069 1030486942 /nfs/dbraw/zinc/48/69/42/1030486942.db2.gz DHAWMPIKZLGCNY-OKZBNKHCSA-N 2 0 324.424 3.643 20 0 DHADRP Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)n1 ZINC000925767306 1030487479 /nfs/dbraw/zinc/48/74/79/1030487479.db2.gz VGMUCUKZVRVDFZ-IAGOWNOFSA-N 2 0 315.848 3.626 20 0 DHADRP CC1(C)CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925775884 1030492056 /nfs/dbraw/zinc/49/20/56/1030492056.db2.gz HXLMGMBVOVDSMP-CZUORRHYSA-N 2 0 308.416 3.634 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000558245468 1030494884 /nfs/dbraw/zinc/49/48/84/1030494884.db2.gz IQFGOLILNUOQCR-DGADGQDISA-N 2 0 318.427 3.818 20 0 DHADRP CCc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C(C)C)cc1 ZINC000925785426 1030496198 /nfs/dbraw/zinc/49/61/98/1030496198.db2.gz UKDUBKONMUDFSB-IRXDYDNUSA-N 2 0 310.432 3.781 20 0 DHADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000925787239 1030497544 /nfs/dbraw/zinc/49/75/44/1030497544.db2.gz ZKGCTELREWNFBI-DZGCQCFKSA-N 2 0 314.445 3.814 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925790878 1030497915 /nfs/dbraw/zinc/49/79/15/1030497915.db2.gz MLXDPNDQHSJOGU-WWGRRREGSA-N 2 0 315.486 3.625 20 0 DHADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000558256198 1030501355 /nfs/dbraw/zinc/50/13/55/1030501355.db2.gz IJVTXSVAONYUCZ-ICUGJSFKSA-N 2 0 320.427 3.530 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)cn1 ZINC000925817790 1030507759 /nfs/dbraw/zinc/50/77/59/1030507759.db2.gz QTWWBXKJNXVFLL-INIZCTEOSA-N 2 0 306.498 3.675 20 0 DHADRP c1cnc2ccc(CC[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)cc2c1 ZINC000925815365 1030508417 /nfs/dbraw/zinc/50/84/17/1030508417.db2.gz XBMRQQILWQMGKA-TZIWHRDSSA-N 2 0 323.484 3.535 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c2ccccc21 ZINC000925838701 1030517056 /nfs/dbraw/zinc/51/70/56/1030517056.db2.gz NPPLSQOWZLKKOL-XMTFNYHQSA-N 2 0 314.379 3.770 20 0 DHADRP Cc1nc2c(cccc2CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000925838935 1030517767 /nfs/dbraw/zinc/51/77/67/1030517767.db2.gz OYKVBDORBNHRSU-PBHICJAKSA-N 2 0 315.461 3.579 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccsc2S1 ZINC000925845097 1030519435 /nfs/dbraw/zinc/51/94/35/1030519435.db2.gz WVNOEKATRQEMIK-ADSMDIBLSA-N 2 0 308.516 3.795 20 0 DHADRP CC[C@@H](Cc1cccs1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887379 1030534634 /nfs/dbraw/zinc/53/46/34/1030534634.db2.gz BCISVMNEVAYYHY-JENIJYKNSA-N 2 0 314.498 3.718 20 0 DHADRP CC[N@H+](C)C1CCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055587 1030553587 /nfs/dbraw/zinc/55/35/87/1030553587.db2.gz IDZWGNGILZEWLU-MRXNPFEDSA-N 2 0 306.881 3.613 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccncc2)CC1)CC(C)C ZINC000358734612 1030604360 /nfs/dbraw/zinc/60/43/60/1030604360.db2.gz FIAJRLICDRDCKM-UHFFFAOYSA-N 2 0 303.494 3.662 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000246478524 1030615239 /nfs/dbraw/zinc/61/52/39/1030615239.db2.gz GLLPNFBGYXSBJG-YJBOKZPZSA-N 2 0 304.503 3.814 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063224 1030619685 /nfs/dbraw/zinc/61/96/85/1030619685.db2.gz MIXGAMROQUHQJM-AWEZNQCLSA-N 2 0 315.288 3.910 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119575 1030624683 /nfs/dbraw/zinc/62/46/83/1030624683.db2.gz MOFZAZVHIFUWLH-PETKQJPQSA-N 2 0 308.535 3.656 20 0 DHADRP C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120390 1030625033 /nfs/dbraw/zinc/62/50/33/1030625033.db2.gz ZIVVYAIKMMAMDD-JFBVMJNESA-N 2 0 320.521 3.577 20 0 DHADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119490 1030625874 /nfs/dbraw/zinc/62/58/74/1030625874.db2.gz KOGHXNPRBVAEBQ-IMBTUZDBSA-N 2 0 310.526 3.559 20 0 DHADRP Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926157266 1030635800 /nfs/dbraw/zinc/63/58/00/1030635800.db2.gz BNIUXRCRMCWMIQ-HIFRSBDPSA-N 2 0 317.502 3.967 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000558548818 1030636229 /nfs/dbraw/zinc/63/62/29/1030636229.db2.gz IHPKZAJRYQVUDN-CVEARBPZSA-N 2 0 309.457 3.779 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cccc(C[NH+](C)C)c1 ZINC000926159256 1030637801 /nfs/dbraw/zinc/63/78/01/1030637801.db2.gz BIFBEUHHYIETQL-UONOGXRCSA-N 2 0 303.475 3.659 20 0 DHADRP C[C@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000926159257 1030638305 /nfs/dbraw/zinc/63/83/05/1030638305.db2.gz BIFBEUHHYIETQL-ZIAGYGMSSA-N 2 0 303.475 3.659 20 0 DHADRP CSC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC000558567327 1030649692 /nfs/dbraw/zinc/64/96/92/1030649692.db2.gz TYUCPSYWUUFAHQ-KRWDZBQOSA-N 2 0 310.551 3.716 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000246950544 1030664060 /nfs/dbraw/zinc/66/40/60/1030664060.db2.gz IBEKNIXXODSYTI-QZTJIDSGSA-N 2 0 318.505 3.823 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000247087426 1030675662 /nfs/dbraw/zinc/67/56/62/1030675662.db2.gz PEHGQXPHHNFRBK-WMZOPIPTSA-N 2 0 314.473 3.754 20 0 DHADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(F)cc2cccnc21 ZINC000075860723 1030693885 /nfs/dbraw/zinc/69/38/85/1030693885.db2.gz ZBLVIOACFFRJKH-GOSISDBHSA-N 2 0 315.436 3.680 20 0 DHADRP C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926353615 1030707807 /nfs/dbraw/zinc/70/78/07/1030707807.db2.gz KHMIXCJNINQGGJ-OAGGEKHMSA-N 2 0 304.478 3.602 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013494 1030728499 /nfs/dbraw/zinc/72/84/99/1030728499.db2.gz IQHHIDVERBFUGZ-FPOVZHCZSA-N 2 0 323.484 3.890 20 0 DHADRP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000249084602 1030786434 /nfs/dbraw/zinc/78/64/34/1030786434.db2.gz IHNHDGFMIZXTGN-HLIPFELVSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1cccc([C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccn2)c1 ZINC000926557740 1030796915 /nfs/dbraw/zinc/79/69/15/1030796915.db2.gz DQVXBNKVVZLURG-NRFANRHFSA-N 2 0 323.484 3.943 20 0 DHADRP C[C@@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)CC(F)(F)F ZINC000926585410 1030813621 /nfs/dbraw/zinc/81/36/21/1030813621.db2.gz UYDKSLXOJDWIHT-CHWSQXEVSA-N 2 0 302.384 3.987 20 0 DHADRP Cc1ccc(C)c(OC2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000359218354 1030848776 /nfs/dbraw/zinc/84/87/76/1030848776.db2.gz KXAFZEYGTKKPOA-UHFFFAOYSA-N 2 0 316.489 3.536 20 0 DHADRP Cc1cnc(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000926665605 1030852481 /nfs/dbraw/zinc/85/24/81/1030852481.db2.gz IQJJDCJFDAKKPL-QGZVFWFLSA-N 2 0 311.473 3.653 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926698320 1030870487 /nfs/dbraw/zinc/87/04/87/1030870487.db2.gz ALZJWUFKUVEUCP-PNHOKKKMSA-N 2 0 310.441 3.577 20 0 DHADRP Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925497673 1030924635 /nfs/dbraw/zinc/92/46/35/1030924635.db2.gz YCULDTGTQWLOOF-PBHICJAKSA-N 2 0 318.486 3.502 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161584540 1030929288 /nfs/dbraw/zinc/92/92/88/1030929288.db2.gz AKLYCKXNPHXZBA-JKIFEVAISA-N 2 0 306.881 3.690 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000926796151 1030932241 /nfs/dbraw/zinc/93/22/41/1030932241.db2.gz IYFNHOZLCPOMIA-VXKCQOAXSA-N 2 0 307.869 3.575 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000926799055 1030934897 /nfs/dbraw/zinc/93/48/97/1030934897.db2.gz ZZWMKHOGAYCQFI-CRPOECCBSA-N 2 0 321.896 3.965 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000926798618 1030935370 /nfs/dbraw/zinc/93/53/70/1030935370.db2.gz VYRVTNBMIGBBTM-HQVVEAJESA-N 2 0 322.880 3.764 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000926809411 1030936431 /nfs/dbraw/zinc/93/64/31/1030936431.db2.gz MPTCUHRRAIBEQW-HZPDHXFCSA-N 2 0 318.427 3.984 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000359410588 1030951004 /nfs/dbraw/zinc/95/10/04/1030951004.db2.gz RFFFFXAXRPKTIC-YJBOKZPZSA-N 2 0 302.462 3.537 20 0 DHADRP [NH3+]CCCCCCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000844221565 1030996873 /nfs/dbraw/zinc/99/68/73/1030996873.db2.gz GGMQSVOXLQSLMO-UHFFFAOYSA-N 2 0 314.477 3.652 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)c2cccnc12 ZINC000844221707 1030997988 /nfs/dbraw/zinc/99/79/88/1030997988.db2.gz UIAQHJDOOLQOCT-GOOCMWNKSA-N 2 0 315.848 3.732 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000897536162 1031018802 /nfs/dbraw/zinc/01/88/02/1031018802.db2.gz IXRQZIANHHYSTC-XEYPJELSSA-N 2 0 322.537 3.560 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261538187 1031030388 /nfs/dbraw/zinc/03/03/88/1031030388.db2.gz PYDFCCBGTHGKAS-FXAWDEMLSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927033527 1031043696 /nfs/dbraw/zinc/04/36/96/1031043696.db2.gz SZVDSSCNBBVBDF-UKBAYJJMSA-N 2 0 318.530 3.771 20 0 DHADRP CCn1nc(C)c([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000927040244 1031047766 /nfs/dbraw/zinc/04/77/66/1031047766.db2.gz ZOJIYFZSZCWVNN-STJZUHDESA-N 2 0 318.509 3.577 20 0 DHADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039160 1031048844 /nfs/dbraw/zinc/04/88/44/1031048844.db2.gz SOEXONQQASRNMK-NQKNOSNGSA-N 2 0 314.473 3.679 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc(C[NH+](C)C)c1 ZINC000927064702 1031062773 /nfs/dbraw/zinc/06/27/73/1031062773.db2.gz YKUISPMWTXMBKT-KXBFYZLASA-N 2 0 309.457 3.871 20 0 DHADRP C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000927068218 1031067500 /nfs/dbraw/zinc/06/75/00/1031067500.db2.gz FYEGPNYGCZOJFY-BEVDRBHNSA-N 2 0 316.489 3.604 20 0 DHADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000261878638 1031074410 /nfs/dbraw/zinc/07/44/10/1031074410.db2.gz UJKWYLWMORXLMY-QGZVFWFLSA-N 2 0 304.434 3.725 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)CCC2 ZINC000359639875 1031074891 /nfs/dbraw/zinc/07/48/91/1031074891.db2.gz TYGAPPJWZATQMH-AAEUAGOBSA-N 2 0 303.372 3.780 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000261924184 1031078629 /nfs/dbraw/zinc/07/86/29/1031078629.db2.gz KWWMHWVCVGXMRX-UHFFFAOYSA-N 2 0 322.880 3.560 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000927098283 1031085193 /nfs/dbraw/zinc/08/51/93/1031085193.db2.gz AZZXRTDSTGOUQB-INIZCTEOSA-N 2 0 310.526 3.680 20 0 DHADRP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)c1 ZINC000262067384 1031094787 /nfs/dbraw/zinc/09/47/87/1031094787.db2.gz RTBSXDCCWGLZDI-SFHVURJKSA-N 2 0 316.445 3.740 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286854744 1031105734 /nfs/dbraw/zinc/10/57/34/1031105734.db2.gz AQSMCEKNGWWTLC-UHOSZYNNSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cn1 ZINC000359708991 1031108556 /nfs/dbraw/zinc/10/85/56/1031108556.db2.gz ANYOQWBYEMIBPO-ZDUSSCGKSA-N 2 0 303.837 3.647 20 0 DHADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000359924751 1031198573 /nfs/dbraw/zinc/19/85/73/1031198573.db2.gz JCMOKSWFQBRYMA-APWZRJJASA-N 2 0 304.478 3.576 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000359936306 1031205653 /nfs/dbraw/zinc/20/56/53/1031205653.db2.gz RCNRRXCSGOPPTP-YLJYHZDGSA-N 2 0 318.505 3.679 20 0 DHADRP CC[C@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000359941536 1031206082 /nfs/dbraw/zinc/20/60/82/1031206082.db2.gz KOUMYTHTRSRNRO-QFBILLFUSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347390555 1031216339 /nfs/dbraw/zinc/21/63/39/1031216339.db2.gz KLMKKVGNFZTDMK-ZNDGOPKYSA-N 2 0 324.468 3.996 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171134759 1031220465 /nfs/dbraw/zinc/22/04/65/1031220465.db2.gz ZLCVVGNJBYTOSD-CQSZACIVSA-N 2 0 315.288 3.782 20 0 DHADRP CN1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139239 1031241335 /nfs/dbraw/zinc/24/13/35/1031241335.db2.gz KCONQPOVLIUVKE-KBPBESRZSA-N 2 0 313.272 3.535 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000360248549 1031345524 /nfs/dbraw/zinc/34/55/24/1031345524.db2.gz IMYVHGCBBUPCBV-HKUYNNGSSA-N 2 0 316.489 3.839 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1C ZINC000536682278 1031380578 /nfs/dbraw/zinc/38/05/78/1031380578.db2.gz BZPHDBFTMYTRLY-QAPCUYQASA-N 2 0 316.489 3.705 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000844923293 1031401908 /nfs/dbraw/zinc/40/19/08/1031401908.db2.gz HOXGFGIAMRMMFV-MRXNPFEDSA-N 2 0 320.408 3.750 20 0 DHADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(SC(F)F)cc1 ZINC000844920447 1031402210 /nfs/dbraw/zinc/40/22/10/1031402210.db2.gz BRCSKNVKQFXJBX-NSHDSACASA-N 2 0 300.418 3.781 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844924357 1031403491 /nfs/dbraw/zinc/40/34/91/1031403491.db2.gz KMQCTEUXVHJOEK-NWANDNLSSA-N 2 0 315.288 3.509 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844925515 1031404123 /nfs/dbraw/zinc/40/41/23/1031404123.db2.gz QWOKLSAFSMFYPL-MCIONIFRSA-N 2 0 307.309 3.861 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872021590 1031405705 /nfs/dbraw/zinc/40/57/05/1031405705.db2.gz CQYDQNVZHMFFSZ-FGTMMUONSA-N 2 0 310.526 3.824 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000872023331 1031406178 /nfs/dbraw/zinc/40/61/78/1031406178.db2.gz QZTSZUWLJLAVKM-UXHICEINSA-N 2 0 318.505 3.822 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872023864 1031407397 /nfs/dbraw/zinc/40/73/97/1031407397.db2.gz WJZAYWAPXNFQCX-MSOLQXFVSA-N 2 0 310.526 3.682 20 0 DHADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000844926949 1031407941 /nfs/dbraw/zinc/40/79/41/1031407941.db2.gz XCPSBYSWFSIQOF-BYNSBNAKSA-N 2 0 319.320 3.861 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872023866 1031408657 /nfs/dbraw/zinc/40/86/57/1031408657.db2.gz WJZAYWAPXNFQCX-ROUUACIJSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@@H]1CCCOC1 ZINC000872028097 1031412966 /nfs/dbraw/zinc/41/29/66/1031412966.db2.gz NQOWCPMPRINOCO-WOJBJXKFSA-N 2 0 318.505 3.822 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000379635971 1031415618 /nfs/dbraw/zinc/41/56/18/1031415618.db2.gz WOVMNMDDMTXCGG-GSEOLPGOSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CCO1 ZINC000872033262 1031416080 /nfs/dbraw/zinc/41/60/80/1031416080.db2.gz CERZORWKJFUMKR-QZTJIDSGSA-N 2 0 310.526 3.826 20 0 DHADRP Fc1cccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)s2)c1 ZINC000666855290 1031420502 /nfs/dbraw/zinc/42/05/02/1031420502.db2.gz KTXQLPIIIUBRPT-HNNXBMFYSA-N 2 0 304.434 3.786 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536856031 1031459974 /nfs/dbraw/zinc/45/99/74/1031459974.db2.gz DHHRUEVXCHZXLD-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ncccc2C)CC1)CC(C)C ZINC000536885214 1031468360 /nfs/dbraw/zinc/46/83/60/1031468360.db2.gz HYHIECFGYYYKFT-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP CC[C@@H](CCC(F)(F)F)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000872089484 1031485373 /nfs/dbraw/zinc/48/53/73/1031485373.db2.gz YNHOJRPATLYRLY-HNNXBMFYSA-N 2 0 306.416 3.819 20 0 DHADRP COCC(C)(C)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000872104995 1031496161 /nfs/dbraw/zinc/49/61/61/1031496161.db2.gz XACJGPFLFDDGIT-HKUYNNGSSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc4c3CC[C@@H]4[NH3+])c2c1 ZINC001171168032 1031499254 /nfs/dbraw/zinc/49/92/54/1031499254.db2.gz IOURSQJHCUPZLI-LIRRHRJNSA-N 2 0 319.452 3.775 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)ccc2F)c1 ZINC000293521344 1031499578 /nfs/dbraw/zinc/49/95/78/1031499578.db2.gz IQMUPONXRMWKHS-UHFFFAOYSA-N 2 0 316.420 3.576 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000872108600 1031501640 /nfs/dbraw/zinc/50/16/40/1031501640.db2.gz AODUSAXQSFUKDN-JVJLKXRTSA-N 2 0 320.521 3.577 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423252079 1031508258 /nfs/dbraw/zinc/50/82/58/1031508258.db2.gz TVIODQWQYVYBDH-CRAIPNDOSA-N 2 0 302.462 3.613 20 0 DHADRP FC(F)(F)c1coc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000872143083 1031533646 /nfs/dbraw/zinc/53/36/46/1031533646.db2.gz LHRZBRAEVADJCX-OLZOCXBDSA-N 2 0 316.367 3.510 20 0 DHADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156046 1031536075 /nfs/dbraw/zinc/53/60/75/1031536075.db2.gz DCDPFXQITHSGKS-MDZRGWNJSA-N 2 0 301.478 3.762 20 0 DHADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156010 1031536265 /nfs/dbraw/zinc/53/62/65/1031536265.db2.gz CMRAUTFDYOLULN-NVXWUHKLSA-N 2 0 319.493 3.918 20 0 DHADRP Cc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872156449 1031536525 /nfs/dbraw/zinc/53/65/25/1031536525.db2.gz JXNGGYAVVMNMAO-VQIMIIECSA-N 2 0 301.478 3.510 20 0 DHADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156006 1031536741 /nfs/dbraw/zinc/53/67/41/1031536741.db2.gz CJHGQAUHHVQAPS-NUJGCVRESA-N 2 0 301.478 3.762 20 0 DHADRP C[C@@H]([NH2+]CCCCCCC[NH3+])c1ccc(C(F)(F)F)nc1 ZINC000872155784 1031538621 /nfs/dbraw/zinc/53/86/21/1031538621.db2.gz ZIHSXELJIVNOJP-GFCCVEGCSA-N 2 0 303.372 3.660 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293623293 1031544570 /nfs/dbraw/zinc/54/45/70/1031544570.db2.gz FXMXIOHFPPXQHN-MJGOQNOKSA-N 2 0 304.478 3.618 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CC3=CC[N@H+](C)CC3)c(C)c2c1 ZINC000537309251 1031564804 /nfs/dbraw/zinc/56/48/04/1031564804.db2.gz ZZLGRWOOWFMCPB-AWEZNQCLSA-N 2 0 314.429 3.662 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000537343003 1031578657 /nfs/dbraw/zinc/57/86/57/1031578657.db2.gz JCEQCURTPSUEGV-UHFFFAOYSA-N 2 0 322.452 3.617 20 0 DHADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000360922155 1031624892 /nfs/dbraw/zinc/62/48/92/1031624892.db2.gz ZHOUIAPGGCTCIX-TWMKSMIVSA-N 2 0 302.437 3.678 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000360957375 1031644662 /nfs/dbraw/zinc/64/46/62/1031644662.db2.gz MEGRNLLWMCIFEU-SFHVURJKSA-N 2 0 310.526 3.802 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1OC ZINC000293838435 1031649483 /nfs/dbraw/zinc/64/94/83/1031649483.db2.gz XPBZZSORYXUSNF-INIZCTEOSA-N 2 0 320.477 3.621 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cs1 ZINC000361005110 1031672052 /nfs/dbraw/zinc/67/20/52/1031672052.db2.gz UGSIAWXQEYDJNB-CQSZACIVSA-N 2 0 309.523 3.860 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000361100184 1031728228 /nfs/dbraw/zinc/72/82/28/1031728228.db2.gz XVHXTQLQJPYXPR-QLFBSQMISA-N 2 0 309.523 3.860 20 0 DHADRP CC[C@@](C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873206886 1031760205 /nfs/dbraw/zinc/76/02/05/1031760205.db2.gz MUGPYLUNIJIORI-GOSISDBHSA-N 2 0 300.471 3.809 20 0 DHADRP c1c(C[NH2+][C@@H]2CCSc3ccccc32)sc2c1C[NH2+]CC2 ZINC000873211419 1031760319 /nfs/dbraw/zinc/76/03/19/1031760319.db2.gz NFKMBRAMGQAZJG-OAHLLOKOSA-N 2 0 316.495 3.721 20 0 DHADRP C[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000873214098 1031760550 /nfs/dbraw/zinc/76/05/50/1031760550.db2.gz XWWQNFZAMWDHFR-NSHDSACASA-N 2 0 306.862 3.898 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000873224456 1031762973 /nfs/dbraw/zinc/76/29/73/1031762973.db2.gz BZCQJDLGDKXXTL-OKZBNKHCSA-N 2 0 316.489 3.653 20 0 DHADRP CC[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccc1OC ZINC000873222916 1031763254 /nfs/dbraw/zinc/76/32/54/1031763254.db2.gz HJGPFAQCOBOOFU-INIZCTEOSA-N 2 0 316.470 3.643 20 0 DHADRP CC(C)c1cnc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873233075 1031767021 /nfs/dbraw/zinc/76/70/21/1031767021.db2.gz YSEUNAHJNLCDNK-HNNXBMFYSA-N 2 0 307.507 3.669 20 0 DHADRP Cc1ncsc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232464 1031767068 /nfs/dbraw/zinc/76/70/68/1031767068.db2.gz QGFOZSCEQPTGSO-ZBFHGGJFSA-N 2 0 307.507 3.571 20 0 DHADRP [NH3+][C@@H](CC[NH2+]C1CCC(C(F)(F)F)CC1)Cc1ccccc1 ZINC000873234639 1031767859 /nfs/dbraw/zinc/76/78/59/1031767859.db2.gz HHELFRYAJSLRKD-PCKAHOCUSA-N 2 0 314.395 3.657 20 0 DHADRP CCC(CC)(C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(F)(F)F ZINC000873247327 1031771907 /nfs/dbraw/zinc/77/19/07/1031771907.db2.gz KXRWJWNKAIDYLT-LLVKDONJSA-N 2 0 317.399 3.868 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000873245278 1031772253 /nfs/dbraw/zinc/77/22/53/1031772253.db2.gz MQBUAZDQVJJSSL-SWLSCSKDSA-N 2 0 308.466 3.730 20 0 DHADRP CCC(CC)(C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C(F)(F)F ZINC000873247825 1031773380 /nfs/dbraw/zinc/77/33/80/1031773380.db2.gz UXQSUXMFTKMNNY-DZGCQCFKSA-N 2 0 316.411 3.903 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(SCC(F)(F)F)cc1 ZINC000873253832 1031773924 /nfs/dbraw/zinc/77/39/24/1031773924.db2.gz FUQFSBKVDXOWSR-GMXVVIOVSA-N 2 0 318.408 3.729 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000873252615 1031775016 /nfs/dbraw/zinc/77/50/16/1031775016.db2.gz TYBOKTOFCKJJLT-MSQAHXEGSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC000873251618 1031775077 /nfs/dbraw/zinc/77/50/77/1031775077.db2.gz LJOCTMFNVJVLPX-AEAUEXCSSA-N 2 0 310.363 3.866 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000873255484 1031775392 /nfs/dbraw/zinc/77/53/92/1031775392.db2.gz GDLANLYFKHHAIC-IGNZVWTISA-N 2 0 318.823 3.895 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000873258130 1031776736 /nfs/dbraw/zinc/77/67/36/1031776736.db2.gz XEJUQNSCEONXCR-BPLDGKMQSA-N 2 0 313.470 3.514 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000873259497 1031777403 /nfs/dbraw/zinc/77/74/03/1031777403.db2.gz FZDFQYDENOXZER-RKLWJJNISA-N 2 0 323.278 3.630 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259702 1031777665 /nfs/dbraw/zinc/77/76/65/1031777665.db2.gz JXZBEMCFBBLVCV-ONIAQPFYSA-N 2 0 302.462 3.655 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c(OCCC)c1 ZINC000873258508 1031777819 /nfs/dbraw/zinc/77/78/19/1031777819.db2.gz QQXJABUQBOUFEW-JYJNAYRXSA-N 2 0 320.477 3.652 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000873256382 1031778018 /nfs/dbraw/zinc/77/80/18/1031778018.db2.gz OGAQWNJZXWTGQF-NQMVMOMDSA-N 2 0 305.274 3.759 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC)cc1 ZINC000873259865 1031778387 /nfs/dbraw/zinc/77/83/87/1031778387.db2.gz NOZQTFGOHMGCLB-NOCIGQNYSA-N 2 0 302.462 3.657 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)oc21 ZINC000873263061 1031778804 /nfs/dbraw/zinc/77/88/04/1031778804.db2.gz FBMOXZRSZWRJLF-UGQVUOCMSA-N 2 0 314.429 3.623 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)C)cc1 ZINC000873264054 1031779089 /nfs/dbraw/zinc/77/90/89/1031779089.db2.gz NFLVDMBKBLXMRC-NOCIGQNYSA-N 2 0 302.462 3.513 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000873261509 1031779109 /nfs/dbraw/zinc/77/91/09/1031779109.db2.gz PEUBVSCGCZJRLE-LUYZLQTOSA-N 2 0 322.880 3.838 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)oc21 ZINC000873263060 1031779791 /nfs/dbraw/zinc/77/97/91/1031779791.db2.gz FBMOXZRSZWRJLF-LUYZLQTOSA-N 2 0 314.429 3.623 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873264021 1031780104 /nfs/dbraw/zinc/78/01/04/1031780104.db2.gz MSGADFKLVRLGEB-BIIJJZAFSA-N 2 0 302.437 3.582 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H](C)C3CC[NH2+]CC3)c(C)c2c1 ZINC000873268634 1031781852 /nfs/dbraw/zinc/78/18/52/1031781852.db2.gz YAVZAEATPSHQBB-KGLIPLIRSA-N 2 0 316.445 3.789 20 0 DHADRP CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000873267832 1031782464 /nfs/dbraw/zinc/78/24/64/1031782464.db2.gz KJACYVJSZPODLX-DOMZBBRYSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000873268645 1031783016 /nfs/dbraw/zinc/78/30/16/1031783016.db2.gz YFGUGAPNYWYCLA-MELADBBJSA-N 2 0 317.502 3.766 20 0 DHADRP C1=C[C@H](CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000873281219 1031785804 /nfs/dbraw/zinc/78/58/04/1031785804.db2.gz HCUDCCDMJJVMIC-XKGZKEIXSA-N 2 0 312.457 3.578 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000873290104 1031790514 /nfs/dbraw/zinc/79/05/14/1031790514.db2.gz OBIBBCSPDFNTBX-SJLPKXTDSA-N 2 0 324.468 3.649 20 0 DHADRP C[C@@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296659 1031791655 /nfs/dbraw/zinc/79/16/55/1031791655.db2.gz KTSLWTRJEHUUEZ-WKPIXPDZSA-N 2 0 321.346 3.896 20 0 DHADRP CC(C)CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccoc1 ZINC000873293632 1031793044 /nfs/dbraw/zinc/79/30/44/1031793044.db2.gz OKOVDJHGZFHRSG-ZWKOTPCHSA-N 2 0 320.477 3.505 20 0 DHADRP [NH3+]CCCCCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000846224065 1031933597 /nfs/dbraw/zinc/93/35/97/1031933597.db2.gz RRZRNFFLDFAIMC-SFHVURJKSA-N 2 0 317.864 3.933 20 0 DHADRP [NH3+]CCCCCC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000846224490 1031933920 /nfs/dbraw/zinc/93/39/20/1031933920.db2.gz YKAWYMXRPZYWSR-UHFFFAOYSA-N 2 0 321.534 3.720 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000846219897 1031934365 /nfs/dbraw/zinc/93/43/65/1031934365.db2.gz BKPSHBHBYPMNRG-OAHLLOKOSA-N 2 0 317.502 3.995 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846219187 1031934394 /nfs/dbraw/zinc/93/43/94/1031934394.db2.gz JUHPPDLYBORWPJ-DLBZAZTESA-N 2 0 324.534 3.935 20 0 DHADRP Cc1ccc(C)c([C@@H]2C[N@H+](CCCCCC[NH3+])[C@@H](C)CO2)c1 ZINC000846219332 1031934905 /nfs/dbraw/zinc/93/49/05/1031934905.db2.gz OQMJUSYOBDLJRK-HKUYNNGSSA-N 2 0 304.478 3.584 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000361525579 1031969389 /nfs/dbraw/zinc/96/93/89/1031969389.db2.gz OEAZDAWEBUXVHG-GOSISDBHSA-N 2 0 318.505 3.879 20 0 DHADRP Cc1ncccc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000898255492 1032004625 /nfs/dbraw/zinc/00/46/25/1032004625.db2.gz KEEGNFPFBDRFDR-OXQOHEQNSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000044516949 1032050442 /nfs/dbraw/zinc/05/04/42/1032050442.db2.gz VKTGXFGTDZAEFU-SNVBAGLBSA-N 2 0 317.296 3.503 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C[C@](C)(C[NH3+])C1 ZINC001172647983 1033302628 /nfs/dbraw/zinc/30/26/28/1033302628.db2.gz QFOZQNXTHPZQGK-LIRRHRJNSA-N 2 0 310.526 3.856 20 0 DHADRP CC1(C)CC([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC(C)(C)O1 ZINC001172654275 1033305710 /nfs/dbraw/zinc/30/57/10/1033305710.db2.gz ZPMYAEOQSSVFPK-UHFFFAOYSA-N 2 0 308.510 3.706 20 0 DHADRP CC1(C)CC([NH+]2CCC(C)([NH+]3CCCC3)CC2)CC(C)(C)O1 ZINC001172661613 1033310967 /nfs/dbraw/zinc/31/09/67/1033310967.db2.gz VPRJBWAGDMTPGR-UHFFFAOYSA-N 2 0 308.510 3.673 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716934 1033323137 /nfs/dbraw/zinc/32/31/37/1033323137.db2.gz UNJNIGJBUKRWDE-SYGMWZTRSA-N 2 0 306.881 3.517 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719090 1033323402 /nfs/dbraw/zinc/32/34/02/1033323402.db2.gz ZNCLCSNCPRLANI-GOSISDBHSA-N 2 0 306.881 3.519 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(N2CCCC2)c1 ZINC000539380452 1033339768 /nfs/dbraw/zinc/33/97/68/1033339768.db2.gz SONGWYUYMLTNNV-PKOBYXMFSA-N 2 0 315.505 3.812 20 0 DHADRP CC[NH+](CC)CCn1cc(Nc2cc[nH+]c(C(C)(C)C)c2)cn1 ZINC001203251902 1033368108 /nfs/dbraw/zinc/36/81/08/1033368108.db2.gz NORYGDUFPIGEEY-UHFFFAOYSA-N 2 0 315.465 3.661 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000477933680 1033373254 /nfs/dbraw/zinc/37/32/54/1033373254.db2.gz UFOYRJKYPXAGQJ-IEBWSBKVSA-N 2 0 316.489 3.617 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877596862 1033376895 /nfs/dbraw/zinc/37/68/95/1033376895.db2.gz YWNXZCQXUFLSGL-UHFFFAOYSA-N 2 0 323.893 3.912 20 0 DHADRP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172817857 1033381733 /nfs/dbraw/zinc/38/17/33/1033381733.db2.gz BKWITCZGQWLNQG-GPJFCIFZSA-N 2 0 300.490 3.862 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([N@@H+](C)CC1CC[NH+](C(C)C)CC1)CC2 ZINC001172830792 1033393132 /nfs/dbraw/zinc/39/31/32/1033393132.db2.gz LDOZVGQEOYYSJV-OAQYLSRUSA-N 2 0 314.517 3.905 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCSC3(CCC3)C2)CC1 ZINC000927035158 1033394590 /nfs/dbraw/zinc/39/45/90/1033394590.db2.gz FWTOZMRMYOFVGZ-KRWDZBQOSA-N 2 0 310.551 3.905 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877653589 1033397964 /nfs/dbraw/zinc/39/79/64/1033397964.db2.gz OBMRGBFTFAWNKC-LBPRGKRZSA-N 2 0 323.893 3.771 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001172864888 1033407724 /nfs/dbraw/zinc/40/77/24/1033407724.db2.gz HNFOQQFKJBMRCC-WQVCFCJDSA-N 2 0 312.860 3.873 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000877697665 1033411993 /nfs/dbraw/zinc/41/19/93/1033411993.db2.gz QKLWPJHEFVUWLW-KRWDZBQOSA-N 2 0 318.505 3.813 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000877697929 1033412712 /nfs/dbraw/zinc/41/27/12/1033412712.db2.gz SCTXAKWFCWXLRN-CRAIPNDOSA-N 2 0 322.443 3.922 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000151129741 1033417549 /nfs/dbraw/zinc/41/75/49/1033417549.db2.gz QPHFCBGDKGQEPW-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711435 1033421541 /nfs/dbraw/zinc/42/15/41/1033421541.db2.gz JBQPYSKNCMDNGP-LNMHBTLKSA-N 2 0 318.442 3.562 20 0 DHADRP CCc1nc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000877767562 1033439265 /nfs/dbraw/zinc/43/92/65/1033439265.db2.gz NRRFATDRNZDWGN-UHFFFAOYSA-N 2 0 309.523 3.505 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCC[NH+](C)C ZINC001172869609 1033440335 /nfs/dbraw/zinc/44/03/35/1033440335.db2.gz DCRIPLBTKRIKJY-CYBMUJFWSA-N 2 0 300.899 3.752 20 0 DHADRP CC(C)C[N@@H+](Cc1ccc2c(c1)COC2)CC1CC[NH+](C)CC1 ZINC000877767641 1033442625 /nfs/dbraw/zinc/44/26/25/1033442625.db2.gz QZDKLYRDPIAODA-UHFFFAOYSA-N 2 0 316.489 3.517 20 0 DHADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)CSc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001172885616 1033459526 /nfs/dbraw/zinc/45/95/26/1033459526.db2.gz QYDZFRODNRPXAC-SOUVJXGZSA-N 2 0 324.921 3.704 20 0 DHADRP c1ccc(C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536837 1033474299 /nfs/dbraw/zinc/47/42/99/1033474299.db2.gz WWOGTIJIDZKNPV-WOJBJXKFSA-N 2 0 306.453 3.702 20 0 DHADRP Cc1ccc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536369 1033476377 /nfs/dbraw/zinc/47/63/77/1033476377.db2.gz TYQXZLPXLZSONT-UXHICEINSA-N 2 0 306.453 3.816 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040599 1033507530 /nfs/dbraw/zinc/50/75/30/1033507530.db2.gz IJAANVSITAEINF-KRWDZBQOSA-N 2 0 310.526 3.826 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc12 ZINC000152405706 1033519704 /nfs/dbraw/zinc/51/97/04/1033519704.db2.gz VCAZDSPHQGLLPT-HOTGVXAUSA-N 2 0 324.468 3.983 20 0 DHADRP CCCOC1CCC([NH2+]CC2CC[NH+](CC(C)C)CC2)CC1 ZINC001173093423 1033524382 /nfs/dbraw/zinc/52/43/82/1033524382.db2.gz FWOCBWNWFZHONG-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP CC1(C)C[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C(C)(C)O1 ZINC000877971914 1033536454 /nfs/dbraw/zinc/53/64/54/1033536454.db2.gz SSWAXQBIMBDZJB-INIZCTEOSA-N 2 0 308.510 3.530 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)Cc2cccc(O)c2)CC1 ZINC001173106935 1033544981 /nfs/dbraw/zinc/54/49/81/1033544981.db2.gz HCJOLXSIGPZGCS-FAEJEUNOSA-N 2 0 304.478 3.566 20 0 DHADRP CC[NH+](CC)C1CCC(n2c(CC[NH3+])cc3ccccc32)CC1 ZINC001173106832 1033545016 /nfs/dbraw/zinc/54/50/16/1033545016.db2.gz FAEYJKRCPZJCLR-UHFFFAOYSA-N 2 0 313.489 3.968 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CC1 ZINC001173107087 1033545360 /nfs/dbraw/zinc/54/53/60/1033545360.db2.gz JSOLAINRMMUDKT-WWDZGPRUSA-N 3 0 311.558 3.630 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC(OC3CCC3)CC2)CC1 ZINC001173110771 1033547885 /nfs/dbraw/zinc/54/78/85/1033547885.db2.gz XJFVQWBYXVOVEX-UHFFFAOYSA-N 2 0 308.510 3.673 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001173111461 1033548009 /nfs/dbraw/zinc/54/80/09/1033548009.db2.gz FUPZJGZDBNRLPC-MHJFOBGBSA-N 2 0 316.489 3.713 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC001173111048 1033548202 /nfs/dbraw/zinc/54/82/02/1033548202.db2.gz XNTXBWGDSJSCNK-VNCLNFNDSA-N 2 0 316.489 3.925 20 0 DHADRP CCC[N@H+](CCc1ccccn1)C1CCC([NH+](CC)CC)CC1 ZINC001173113365 1033549007 /nfs/dbraw/zinc/54/90/07/1033549007.db2.gz OHFWHTFZVYXURU-UHFFFAOYSA-N 2 0 317.521 3.989 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001173111607 1033549329 /nfs/dbraw/zinc/54/93/29/1033549329.db2.gz IHXJTMUZTRSXFX-UHFFFAOYSA-N 3 0 323.569 3.692 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CC(OCc3ccccc3)C2)CC1 ZINC001173111982 1033549352 /nfs/dbraw/zinc/54/93/52/1033549352.db2.gz OMNCKOVOZAOVPA-UHFFFAOYSA-N 2 0 316.489 3.540 20 0 DHADRP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878050342 1033566813 /nfs/dbraw/zinc/56/68/13/1033566813.db2.gz UEFQZICBPZQTOV-YRPNKDGESA-N 2 0 320.521 3.532 20 0 DHADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878048460 1033567173 /nfs/dbraw/zinc/56/71/73/1033567173.db2.gz ANESLNNIANSHFM-MOPGFXCFSA-N 2 0 320.521 3.676 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878165031 1033603712 /nfs/dbraw/zinc/60/37/12/1033603712.db2.gz RXBPYZCLUYGAGD-PMACEKPBSA-N 2 0 316.489 3.713 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001173249027 1033621680 /nfs/dbraw/zinc/62/16/80/1033621680.db2.gz XLAPBIDKZUWWDF-GOSISDBHSA-N 2 0 314.517 3.988 20 0 DHADRP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C1 ZINC001173269434 1033637479 /nfs/dbraw/zinc/63/74/79/1033637479.db2.gz IMKQNLXBRFDLHY-WBVHZDCISA-N 2 0 304.453 3.740 20 0 DHADRP CC[C@@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269746 1033640890 /nfs/dbraw/zinc/64/08/90/1033640890.db2.gz KWOSZKCTXHDMLJ-OWYHZJEWSA-N 2 0 301.478 3.732 20 0 DHADRP CC[C@@H]1CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269745 1033641238 /nfs/dbraw/zinc/64/12/38/1033641238.db2.gz KWOSZKCTXHDMLJ-NXWXRZEISA-N 2 0 301.478 3.732 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001173241036 1033647622 /nfs/dbraw/zinc/64/76/22/1033647622.db2.gz FGRDHDKGEPAVTM-GEALJGNFSA-N 2 0 300.490 3.785 20 0 DHADRP CCSC[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294828 1033653548 /nfs/dbraw/zinc/65/35/48/1033653548.db2.gz ICLQQZKGCHVJLO-KBAYOESNSA-N 2 0 306.519 3.900 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173475346 1033735616 /nfs/dbraw/zinc/73/56/16/1033735616.db2.gz CRGQONOUACTRNN-UHFFFAOYSA-N 2 0 322.443 3.532 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001173544165 1033764196 /nfs/dbraw/zinc/76/41/96/1033764196.db2.gz PUTGQNGYDAXDJM-TZMCWYRMSA-N 2 0 315.288 3.856 20 0 DHADRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173687879 1033829283 /nfs/dbraw/zinc/82/92/83/1033829283.db2.gz MTHQKGSYBHOIPI-KQLGTBKOSA-N 2 0 324.512 3.697 20 0 DHADRP C[N@H+](CCCCc1ccccc1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667532384 1033847857 /nfs/dbraw/zinc/84/78/57/1033847857.db2.gz KTJYYBHDHKNOHX-UHFFFAOYSA-N 2 0 320.440 3.722 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCCCC2 ZINC000119052852 1033919267 /nfs/dbraw/zinc/91/92/67/1033919267.db2.gz VXPWAAIJZMNUBT-OALUTQOASA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]1C[N@H+](CCc2ccc(Cl)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205985395 1033994057 /nfs/dbraw/zinc/99/40/57/1033994057.db2.gz XXUFLZOEJGPIEP-TZMCWYRMSA-N 2 0 315.288 3.843 20 0 DHADRP c1coc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000898521639 1034082567 /nfs/dbraw/zinc/08/25/67/1034082567.db2.gz DJYPWQJFULAUIC-QYZOEREBSA-N 2 0 310.441 3.670 20 0 DHADRP CC(=O)c1cccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000879703803 1034092794 /nfs/dbraw/zinc/09/27/94/1034092794.db2.gz XXWSEBYBWYWSIC-UHFFFAOYSA-N 2 0 316.489 3.689 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000480158016 1034103878 /nfs/dbraw/zinc/10/38/78/1034103878.db2.gz HQOWHXJFJKRXLE-FQEVSTJZSA-N 2 0 324.468 3.794 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)c1 ZINC000554350393 1034108213 /nfs/dbraw/zinc/10/82/13/1034108213.db2.gz HHOWTDDTGHHGQP-MSOLQXFVSA-N 2 0 304.503 3.738 20 0 DHADRP COC[C@H](C)[N@H+](CCCCCC[NH3+])[C@H]1CCc2ccccc21 ZINC000863574039 1034131645 /nfs/dbraw/zinc/13/16/45/1034131645.db2.gz ZTSGFXSXLPOSOK-LPHOPBHVSA-N 2 0 304.478 3.530 20 0 DHADRP C[C@H](c1ccccn1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000177106699 1034133688 /nfs/dbraw/zinc/13/36/88/1034133688.db2.gz RCVGSZRZXAABGC-GOSISDBHSA-N 2 0 323.484 3.987 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000863654488 1034162326 /nfs/dbraw/zinc/16/23/26/1034162326.db2.gz YBKCVFIZNYPREE-BZZMCLGOSA-N 2 0 304.865 3.838 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000567385881 1034236488 /nfs/dbraw/zinc/23/64/88/1034236488.db2.gz VGLNZSPVJIFKKN-ZDUSSCGKSA-N 2 0 307.507 3.750 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000880254901 1034267763 /nfs/dbraw/zinc/26/77/63/1034267763.db2.gz RRNIIPKZYCDPTL-SFHVURJKSA-N 2 0 308.510 3.676 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC[N@@H+]1C ZINC000179554335 1034314315 /nfs/dbraw/zinc/31/43/15/1034314315.db2.gz QQSKVVVBCHNRFE-JSGCOSHPSA-N 2 0 310.844 3.583 20 0 DHADRP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000927159690 1034362952 /nfs/dbraw/zinc/36/29/52/1034362952.db2.gz QCUFMLUZVNWAFX-QAPCUYQASA-N 2 0 302.462 3.501 20 0 DHADRP Cc1csc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001137157319 1034379652 /nfs/dbraw/zinc/37/96/52/1034379652.db2.gz TVNYKZPMSXSELM-HDICACEKSA-N 2 0 312.482 3.620 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000554981416 1034452257 /nfs/dbraw/zinc/45/22/57/1034452257.db2.gz COLRLFHWBKGCDM-QUCCMNQESA-N 2 0 318.505 3.692 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000184498563 1034482656 /nfs/dbraw/zinc/48/26/56/1034482656.db2.gz YDHKYAYPTUTJNY-HOTGVXAUSA-N 2 0 317.477 3.560 20 0 DHADRP CC(C)(C[NH2+]Cc1ccc(OCC2CC2)cc1)C[NH+]1CCCC1 ZINC000480904634 1034495869 /nfs/dbraw/zinc/49/58/69/1034495869.db2.gz BOUMGEKFNAWOQC-UHFFFAOYSA-N 2 0 316.489 3.687 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481249609 1034686845 /nfs/dbraw/zinc/68/68/45/1034686845.db2.gz IFEFQNNYRFHWIN-IAGOWNOFSA-N 2 0 302.462 3.634 20 0 DHADRP CC(C)C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCc2cccnc21 ZINC000481344629 1034767541 /nfs/dbraw/zinc/76/75/41/1034767541.db2.gz SRMKWHYMNMNELD-RTBURBONSA-N 2 0 315.505 3.901 20 0 DHADRP CCC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000192785192 1034817590 /nfs/dbraw/zinc/81/75/90/1034817590.db2.gz BROUKDBVQSHHBV-FQEVSTJZSA-N 2 0 317.521 3.534 20 0 DHADRP C[N@@H+]1CCC=C(Nc2ccc3c(c2)C[NH+](Cc2ccccc2)C3)C1 ZINC001175575806 1035048363 /nfs/dbraw/zinc/04/83/63/1035048363.db2.gz BALWWRDCTFDORN-UHFFFAOYSA-N 2 0 319.452 3.834 20 0 DHADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000482067076 1035052315 /nfs/dbraw/zinc/05/23/15/1035052315.db2.gz IIBBCSMGTPFROS-ZLZJIPBDSA-N 2 0 322.855 3.884 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000482113523 1035058414 /nfs/dbraw/zinc/05/84/14/1035058414.db2.gz JOMZMPJJNHLQDS-RHSMWYFYSA-N 2 0 322.443 3.706 20 0 DHADRP C[NH+](C/C=C/C[N@@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1 ZINC000065243243 1035070896 /nfs/dbraw/zinc/07/08/96/1035070896.db2.gz QWGMMBLZHNVTCP-ONEGZZNKSA-N 2 0 302.506 3.783 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCCCC1 ZINC000482346857 1035085225 /nfs/dbraw/zinc/08/52/25/1035085225.db2.gz CKGMWVQQEYCERD-FQEVSTJZSA-N 2 0 323.569 3.599 20 0 DHADRP C[C@H]1C[N@H+](CCSC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001175775724 1035117885 /nfs/dbraw/zinc/11/78/85/1035117885.db2.gz UGNWGYRBSYNAMJ-INIZCTEOSA-N 2 0 319.518 3.658 20 0 DHADRP Cc1cccc2[nH]c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cc21 ZINC000668168942 1035201710 /nfs/dbraw/zinc/20/17/10/1035201710.db2.gz DRTDYXUYCCCERH-QGZVFWFLSA-N 2 0 311.473 3.640 20 0 DHADRP c1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)n(-c2ccncc2)n1 ZINC000668189562 1035213870 /nfs/dbraw/zinc/21/38/70/1035213870.db2.gz HZRVGBFQGPGFJA-SFHVURJKSA-N 2 0 318.424 3.647 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000483057810 1035219507 /nfs/dbraw/zinc/21/95/07/1035219507.db2.gz OROVJDVBOXHRBW-LJQANCHMSA-N 2 0 318.505 3.736 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924784706 1035252090 /nfs/dbraw/zinc/25/20/90/1035252090.db2.gz YQMDEFUJYNNZTI-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000483425720 1035268208 /nfs/dbraw/zinc/26/82/08/1035268208.db2.gz ZECZGEJBTMBXBO-LJQANCHMSA-N 2 0 304.453 3.665 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1(c2ccccc2)CCCC1 ZINC000483833665 1035304510 /nfs/dbraw/zinc/30/45/10/1035304510.db2.gz JNCIAQSNAZRUCR-QZTJIDSGSA-N 2 0 312.501 3.961 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc2ccccc2n1C ZINC001177093991 1035349325 /nfs/dbraw/zinc/34/93/25/1035349325.db2.gz ZOVIBCMADFNSJZ-INIZCTEOSA-N 2 0 301.478 3.778 20 0 DHADRP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001177143502 1035352404 /nfs/dbraw/zinc/35/24/04/1035352404.db2.gz WNXBPLMSKABQKI-VQTJNVASSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001206297353 1035358239 /nfs/dbraw/zinc/35/82/39/1035358239.db2.gz XWKNPZXYDXKHBD-INIZCTEOSA-N 2 0 314.395 3.699 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC001177298849 1035361335 /nfs/dbraw/zinc/36/13/35/1035361335.db2.gz GLEVPIWJELCNJD-CQSZACIVSA-N 2 0 310.869 3.647 20 0 DHADRP CCCCN1CCCC[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001177743853 1035390612 /nfs/dbraw/zinc/39/06/12/1035390612.db2.gz OQIQGTUSAUKEFM-MSOLQXFVSA-N 2 0 316.489 3.797 20 0 DHADRP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311425 1035400468 /nfs/dbraw/zinc/40/04/68/1035400468.db2.gz OGLJNEMEVRKQHT-MRXNPFEDSA-N 2 0 314.395 3.965 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000904342126 1035402237 /nfs/dbraw/zinc/40/22/37/1035402237.db2.gz XYBFWTXDVBMFJK-XBXGTLAGSA-N 2 0 312.379 3.622 20 0 DHADRP CCOc1ccc([C@@H]([NH2+]C2CC(C[NH3+])C2)c2ccccc2)cc1 ZINC000904368396 1035406540 /nfs/dbraw/zinc/40/65/40/1035406540.db2.gz RABGLHUKFMCFDT-UPQHMETBSA-N 2 0 310.441 3.502 20 0 DHADRP CC(C)Cc1ncc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000904443435 1035416008 /nfs/dbraw/zinc/41/60/08/1035416008.db2.gz JRSJLSODGWRIRZ-UHFFFAOYSA-N 2 0 309.523 3.539 20 0 DHADRP CC(C)(C)c1ncc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000904444058 1035416187 /nfs/dbraw/zinc/41/61/87/1035416187.db2.gz NXQBAXGLYTYYBU-UHFFFAOYSA-N 2 0 309.523 3.638 20 0 DHADRP CC(C)C1CCC(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001178474055 1035430801 /nfs/dbraw/zinc/43/08/01/1035430801.db2.gz YSSHDQHOUSCMQY-VIQWUECVSA-N 2 0 310.526 3.539 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCCC2(C)C)cc1 ZINC001178783287 1035447344 /nfs/dbraw/zinc/44/73/44/1035447344.db2.gz NVACTJCGHLUYDP-QGZVFWFLSA-N 2 0 304.478 3.543 20 0 DHADRP CCSc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC001178855670 1035449723 /nfs/dbraw/zinc/44/97/23/1035449723.db2.gz NYKAAJYIIBSHLF-UHFFFAOYSA-N 2 0 324.453 3.669 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1)C[NH+](C)C ZINC000813876951 1035452715 /nfs/dbraw/zinc/45/27/15/1035452715.db2.gz FIOSUHIZRSMNPL-NEPJUHHUSA-N 2 0 302.434 3.850 20 0 DHADRP C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001178867123 1035452413 /nfs/dbraw/zinc/45/24/13/1035452413.db2.gz CMXGCOZXROOQRQ-LPHOPBHVSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)(C)N1CC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000668431853 1035473757 /nfs/dbraw/zinc/47/37/57/1035473757.db2.gz FULNLIZWWOZDEI-QWFMPGPPSA-N 2 0 308.416 3.673 20 0 DHADRP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001179830331 1035510046 /nfs/dbraw/zinc/51/00/46/1035510046.db2.gz OWMCWPXKEWUCJU-AEFFLSMTSA-N 2 0 318.505 3.653 20 0 DHADRP C[C@]1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC001179878401 1035528294 /nfs/dbraw/zinc/52/82/94/1035528294.db2.gz PNPTUWNXANKSEF-HMXCVIKNSA-N 2 0 312.501 3.988 20 0 DHADRP CCCc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001179877570 1035528414 /nfs/dbraw/zinc/52/84/14/1035528414.db2.gz HODZVEWQMVTONO-HXUWFJFHSA-N 2 0 300.490 3.947 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC001179909119 1035546504 /nfs/dbraw/zinc/54/65/04/1035546504.db2.gz DUVREWGCFXFZIS-KBXCAEBGSA-N 2 0 310.432 3.560 20 0 DHADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H](C)Cc1cccc(F)c1 ZINC001168465866 1035576162 /nfs/dbraw/zinc/57/61/62/1035576162.db2.gz ZGCWPNBDMCYCQB-IAGOWNOFSA-N 2 0 314.448 3.854 20 0 DHADRP C[C@H](NCc1cc(F)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193250943 1035592476 /nfs/dbraw/zinc/59/24/76/1035592476.db2.gz SNQAAXLSEVUPRA-KBPBESRZSA-N 2 0 308.416 3.707 20 0 DHADRP Cc1ncsc1CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193252696 1035596504 /nfs/dbraw/zinc/59/65/04/1035596504.db2.gz ZSBZWDLZSRSEOA-GOEBONIOSA-N 2 0 321.534 3.627 20 0 DHADRP Cc1cc(C)c(/C=C/C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC001180123537 1035603655 /nfs/dbraw/zinc/60/36/55/1035603655.db2.gz BPYMARIMSNHIFO-VOTSOKGWSA-N 2 0 300.490 3.899 20 0 DHADRP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cnn1C(C)C ZINC000191130079 1035661464 /nfs/dbraw/zinc/66/14/64/1035661464.db2.gz WKEDKYXVZYTCKP-HNNXBMFYSA-N 2 0 314.477 3.685 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(CC2CCC2)CC1 ZINC001168466823 1035673715 /nfs/dbraw/zinc/67/37/15/1035673715.db2.gz FYNPUSQBVIURIM-HNNXBMFYSA-N 2 0 304.453 3.740 20 0 DHADRP COc1cccc([C@@H](C)[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000535574008 1035707664 /nfs/dbraw/zinc/70/76/64/1035707664.db2.gz RRRVDWPSLYUACU-OAHLLOKOSA-N 2 0 311.429 3.728 20 0 DHADRP CSCCC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001193735283 1035710851 /nfs/dbraw/zinc/71/08/51/1035710851.db2.gz OFZUNITYDBHPSX-UHFFFAOYSA-N 2 0 306.519 3.857 20 0 DHADRP Cc1ccc([C@@H](CC(F)(F)F)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC001180593944 1035727798 /nfs/dbraw/zinc/72/77/98/1035727798.db2.gz QFPJVIUJAJRFKK-MRXNPFEDSA-N 2 0 314.395 3.920 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)[NH+]1CCCCC1 ZINC001180812439 1035771058 /nfs/dbraw/zinc/77/10/58/1035771058.db2.gz ZTVSRQPRKNGLMU-ZACQAIPSSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000192931598 1035825791 /nfs/dbraw/zinc/82/57/91/1035825791.db2.gz GJNICOHQCUYQSQ-SJLPKXTDSA-N 2 0 318.530 3.630 20 0 DHADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C2CCC2)CC1 ZINC000539821293 1035873158 /nfs/dbraw/zinc/87/31/58/1035873158.db2.gz PQIWEKVYZPZZAX-UHFFFAOYSA-N 2 0 315.505 3.593 20 0 DHADRP C(CC1CCCCC1)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001194279603 1035883350 /nfs/dbraw/zinc/88/33/50/1035883350.db2.gz KOJMLLSMFQPRLV-LJQANCHMSA-N 2 0 308.510 3.534 20 0 DHADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCc4ccccc43)C2)cc1 ZINC001181349934 1035902160 /nfs/dbraw/zinc/90/21/60/1035902160.db2.gz OCLWCITWMDOWHQ-FPOVZHCZSA-N 2 0 320.480 3.828 20 0 DHADRP CCCC[C@@H](CC)CC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000539949892 1035938232 /nfs/dbraw/zinc/93/82/32/1035938232.db2.gz FDOJRTIWDLAMSQ-MSOLQXFVSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001168469022 1035944167 /nfs/dbraw/zinc/94/41/67/1035944167.db2.gz RITVBSVKYYNTSS-OAHLLOKOSA-N 2 0 304.453 3.611 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000540086886 1035967784 /nfs/dbraw/zinc/96/77/84/1035967784.db2.gz VJBNVDXHSQRPJM-QGZVFWFLSA-N 2 0 310.507 3.537 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540153902 1035989807 /nfs/dbraw/zinc/98/98/07/1035989807.db2.gz ROTHPZCZUIOGLP-RDJZCZTQSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000540177627 1036002379 /nfs/dbraw/zinc/00/23/79/1036002379.db2.gz PXNXMEGBWBFZTF-RYRKJORJSA-N 2 0 318.505 3.681 20 0 DHADRP Cc1cc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261976 1036026734 /nfs/dbraw/zinc/02/67/34/1036026734.db2.gz UPIQQPCPEPXDJC-AUUYWEPGSA-N 2 0 302.437 3.659 20 0 DHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000494988979 1036167301 /nfs/dbraw/zinc/16/73/01/1036167301.db2.gz QPPSKSVEFOPXTN-GOSISDBHSA-N 2 0 304.503 3.655 20 0 DHADRP CCOc1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1F ZINC000495076973 1036224832 /nfs/dbraw/zinc/22/48/32/1036224832.db2.gz BSZMHXPWSCTXCH-UHFFFAOYSA-N 2 0 322.468 3.778 20 0 DHADRP c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)C2 ZINC000541059061 1036226621 /nfs/dbraw/zinc/22/66/21/1036226621.db2.gz BTZYSPIOPHYCHW-RBUKOAKNSA-N 2 0 312.501 3.599 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCSCC1 ZINC000250127759 1036249345 /nfs/dbraw/zinc/24/93/45/1036249345.db2.gz WNPSXPOWXZUEGF-BRWVUGGUSA-N 2 0 312.567 3.866 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000250127764 1036250158 /nfs/dbraw/zinc/25/01/58/1036250158.db2.gz WNPSXPOWXZUEGF-IXDOHACOSA-N 2 0 312.567 3.866 20 0 DHADRP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000541282655 1036285462 /nfs/dbraw/zinc/28/54/62/1036285462.db2.gz PIJOWYIVBWZEPB-PZJWPPBQSA-N 2 0 312.501 3.876 20 0 DHADRP CCCC[N@H+](CCC[NH+](CC)CC)[C@@H]1CCc2ncsc2C1 ZINC001195778291 1036343378 /nfs/dbraw/zinc/34/33/78/1036343378.db2.gz RJGSFDBNFJOIFG-MRXNPFEDSA-N 2 0 323.550 3.834 20 0 DHADRP C[C@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000541588991 1036380258 /nfs/dbraw/zinc/38/02/58/1036380258.db2.gz SZMGMQHIKKNRKF-GOSISDBHSA-N 2 0 300.490 3.816 20 0 DHADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000541588992 1036381326 /nfs/dbraw/zinc/38/13/26/1036381326.db2.gz SZMGMQHIKKNRKF-SFHVURJKSA-N 2 0 300.490 3.816 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@H](c2ccccc2)C1 ZINC001182544986 1036382147 /nfs/dbraw/zinc/38/21/47/1036382147.db2.gz SXHXRCUIBSJPMT-YSFYHYPLSA-N 2 0 320.480 3.725 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000541772868 1036428775 /nfs/dbraw/zinc/42/87/75/1036428775.db2.gz LGUQYTOHAUTINU-NSCUHMNNSA-N 2 0 306.400 3.585 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001183104631 1036523783 /nfs/dbraw/zinc/52/37/83/1036523783.db2.gz VZZKMQDACCZUKA-KLHKWILBSA-N 2 0 304.478 3.651 20 0 DHADRP Cc1cc(C)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)c1 ZINC000303013996 1036538041 /nfs/dbraw/zinc/53/80/41/1036538041.db2.gz KFYBDYSQUMVRKB-UHFFFAOYSA-N 2 0 300.490 3.920 20 0 DHADRP C[C@H]([NH2+]CCOCC[NH2+][C@@H](C)c1ccsc1)c1ccsc1 ZINC000669937101 1036628217 /nfs/dbraw/zinc/62/82/17/1036628217.db2.gz HRYKJJVATNXURL-KBPBESRZSA-N 2 0 324.515 3.828 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495426143 1036628678 /nfs/dbraw/zinc/62/86/78/1036628678.db2.gz JUAMAWOCHFHKKI-YCPHGPKFSA-N 2 0 314.395 3.828 20 0 DHADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001196888790 1036632617 /nfs/dbraw/zinc/63/26/17/1036632617.db2.gz OVOXNGLQRXXSLG-YZLZLFLDSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000495421060 1036634767 /nfs/dbraw/zinc/63/47/67/1036634767.db2.gz NMEWJWXDJHICAG-NXHRZFHOSA-N 2 0 322.537 3.965 20 0 DHADRP C[C@H]([NH2+]C/C=C\c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487566654 1036685697 /nfs/dbraw/zinc/68/56/97/1036685697.db2.gz WQPCUSJSIDOXCZ-KWBXCNMKSA-N 2 0 321.468 3.595 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134576 1036744896 /nfs/dbraw/zinc/74/48/96/1036744896.db2.gz FLDQPZCMFJRQIM-MAUKXSAKSA-N 2 0 318.530 3.661 20 0 DHADRP C[C@@H](CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000668819663 1036832584 /nfs/dbraw/zinc/83/25/84/1036832584.db2.gz POBKJFITWIXMBQ-PKOBYXMFSA-N 2 0 300.490 3.892 20 0 DHADRP CCC[NH+]1CCC(N(C)Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488317024 1036960648 /nfs/dbraw/zinc/96/06/48/1036960648.db2.gz UMPDVPDCIUVSLV-UHFFFAOYSA-N 2 0 303.425 3.613 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000236761421 1036979035 /nfs/dbraw/zinc/97/90/35/1036979035.db2.gz BQJZZGQWRLLACJ-INIZCTEOSA-N 2 0 304.478 3.567 20 0 DHADRP CC(C)C1CC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000488408315 1036996153 /nfs/dbraw/zinc/99/61/53/1036996153.db2.gz HIPKVKSQYXIJDI-UHFFFAOYSA-N 2 0 306.519 3.984 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)cc1 ZINC000488447876 1037028791 /nfs/dbraw/zinc/02/87/91/1037028791.db2.gz XYEJXINJHMSKQQ-IRXDYDNUSA-N 2 0 306.519 3.758 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001198952795 1037173482 /nfs/dbraw/zinc/17/34/82/1037173482.db2.gz YWLZYGZUFCQSHM-HOTGVXAUSA-N 2 0 304.478 3.610 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000322373400 1037200631 /nfs/dbraw/zinc/20/06/31/1037200631.db2.gz LGKGARLCIIVRPW-CVEARBPZSA-N 2 0 304.437 3.973 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](C)CCc2ccccc2)CC1 ZINC001199144226 1037205167 /nfs/dbraw/zinc/20/51/67/1037205167.db2.gz OOMXIFQRAONRKU-SFHVURJKSA-N 2 0 302.506 3.965 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310292523 1037226419 /nfs/dbraw/zinc/22/64/19/1037226419.db2.gz ZOEKFGVOVCHCGD-YLJYHZDGSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000177316221 1037227191 /nfs/dbraw/zinc/22/71/91/1037227191.db2.gz TTXYRHQZAQACMT-CQSZACIVSA-N 2 0 306.881 3.940 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000310367935 1037228589 /nfs/dbraw/zinc/22/85/89/1037228589.db2.gz WCYOFHISOAFJHY-FXAWDEMLSA-N 2 0 324.468 3.838 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3cccs3)C2)CC1 ZINC000104949760 1037229039 /nfs/dbraw/zinc/22/90/39/1037229039.db2.gz OFPAFAVVGXGSFA-KRWDZBQOSA-N 2 0 306.519 3.735 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC001199329633 1037243597 /nfs/dbraw/zinc/24/35/97/1037243597.db2.gz XNFWBTAMDJVTJD-CEXWTWQISA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc3ccccc3n2C)C1 ZINC001199329736 1037246534 /nfs/dbraw/zinc/24/65/34/1037246534.db2.gz YSSYZIIDBPAIBG-IAGOWNOFSA-N 2 0 313.489 3.636 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]CC2(OC)CCCCC2)c1 ZINC001199376784 1037254886 /nfs/dbraw/zinc/25/48/86/1037254886.db2.gz OZKDICJEQMTTAY-UHFFFAOYSA-N 2 0 318.505 3.967 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC001199942736 1037363326 /nfs/dbraw/zinc/36/33/26/1037363326.db2.gz ZQCXVGRKIUISJU-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC001199923732 1037373376 /nfs/dbraw/zinc/37/33/76/1037373376.db2.gz AGZBSDNZVXNTFM-UXHICEINSA-N 2 0 322.537 3.824 20 0 DHADRP C[N@H+](CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493889120 1037582879 /nfs/dbraw/zinc/58/28/79/1037582879.db2.gz RWCHHAZSSQWRFR-CEXWTWQISA-N 2 0 320.521 3.578 20 0 DHADRP CC1(C)CC([NH2+]C2CC(OCc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000493917363 1037590200 /nfs/dbraw/zinc/59/02/00/1037590200.db2.gz QOFUYZPQDOSKPR-UHFFFAOYSA-N 2 0 316.489 3.633 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)CC3 ZINC000490121123 1037615179 /nfs/dbraw/zinc/61/51/79/1037615179.db2.gz YZVKRAGGMRTLEF-GQWLDOHISA-N 2 0 323.484 3.550 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000490178272 1037629201 /nfs/dbraw/zinc/62/92/01/1037629201.db2.gz KWQWNUOUQVDGOD-RDJZCZTQSA-N 2 0 307.457 3.916 20 0 DHADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000776167353 1037669670 /nfs/dbraw/zinc/66/96/70/1037669670.db2.gz BMCQQEXGNLFNQH-OPQOLIRYSA-N 2 0 310.526 3.680 20 0 DHADRP COc1ccccc1[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183184975 1037687292 /nfs/dbraw/zinc/68/72/92/1037687292.db2.gz ZGWBNZLWQZEKSZ-IXDOHACOSA-N 2 0 316.489 3.999 20 0 DHADRP Cc1cc(O)cnc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201470767 1037732740 /nfs/dbraw/zinc/73/27/40/1037732740.db2.gz WGPKBUUTOSXAMV-MSOLQXFVSA-N 2 0 321.424 3.828 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3cccc4sccc43)cc[nH+]2)CC1 ZINC001201668641 1037823127 /nfs/dbraw/zinc/82/31/27/1037823127.db2.gz YOVPZBZNMKMUSF-UHFFFAOYSA-N 2 0 324.453 3.792 20 0 DHADRP CSCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201700685 1037841660 /nfs/dbraw/zinc/84/16/60/1037841660.db2.gz YPCXUIGSIBZJOE-RTBURBONSA-N 2 0 318.530 3.584 20 0 DHADRP CCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201750896 1037873397 /nfs/dbraw/zinc/87/33/97/1037873397.db2.gz OYURWAYHZVLESD-INIZCTEOSA-N 2 0 306.498 3.680 20 0 DHADRP CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201751014 1037874765 /nfs/dbraw/zinc/87/47/65/1037874765.db2.gz RKJNSQDNMVEBGC-JKSUJKDBSA-N 2 0 307.507 3.620 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168463613 1037882686 /nfs/dbraw/zinc/88/26/86/1037882686.db2.gz AHHBEYYFVQQWQB-VNCLNFNDSA-N 2 0 306.469 3.999 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000124159410 1037883443 /nfs/dbraw/zinc/88/34/43/1037883443.db2.gz RHHLMWHVYRADMP-HOTGVXAUSA-N 2 0 312.457 3.841 20 0 DHADRP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186330655 1037890753 /nfs/dbraw/zinc/89/07/53/1037890753.db2.gz NBAWZKYTDJFAPP-VQIMIIECSA-N 2 0 317.521 3.530 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H](C)C2 ZINC000491057836 1037900039 /nfs/dbraw/zinc/90/00/39/1037900039.db2.gz XCZRZUQKCDJBAR-FUHIMQAGSA-N 2 0 300.490 3.938 20 0 DHADRP Cc1nccn1CCC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000125227368 1037926234 /nfs/dbraw/zinc/92/62/34/1037926234.db2.gz CBFOZTYDTNKJJO-CRAIPNDOSA-N 2 0 315.486 3.760 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000126021488 1038023394 /nfs/dbraw/zinc/02/33/94/1038023394.db2.gz JZFJHTGMMXDKSC-UHFFFAOYSA-N 2 0 316.445 3.653 20 0 DHADRP CN(C)c1ccc(N2CCC([NH2+]CCc3ccccc3)CC2)cc1 ZINC000153041840 1038079598 /nfs/dbraw/zinc/07/95/98/1038079598.db2.gz WTAZUTOFBFTJAI-UHFFFAOYSA-N 2 0 323.484 3.554 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000126667148 1038085463 /nfs/dbraw/zinc/08/54/63/1038085463.db2.gz VRHZQSDILCEYEJ-GOSISDBHSA-N 2 0 306.881 3.661 20 0 DHADRP COc1ccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000126660705 1038086095 /nfs/dbraw/zinc/08/60/95/1038086095.db2.gz SXRJTWVREDJTEK-RBUKOAKNSA-N 2 0 310.441 3.565 20 0 DHADRP C[C@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000127568246 1038196000 /nfs/dbraw/zinc/19/60/00/1038196000.db2.gz PWCZNDVGAZGYNM-OAHLLOKOSA-N 2 0 300.421 3.781 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC(C)C)cc1C[NH+]1CCCCC1 ZINC000775364292 1038277489 /nfs/dbraw/zinc/27/74/89/1038277489.db2.gz RLHLLEWQDCIKNC-INIZCTEOSA-N 2 0 304.478 3.988 20 0 DHADRP C[N@@H+]1CCC[C@H]1CCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000571937024 1038279993 /nfs/dbraw/zinc/27/99/93/1038279993.db2.gz KQGVHEOVKYJHBT-IBGZPJMESA-N 2 0 302.437 3.789 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000572158289 1038336632 /nfs/dbraw/zinc/33/66/32/1038336632.db2.gz JXCFJWKTKHVESP-GOSISDBHSA-N 2 0 302.487 3.637 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC001190492767 1038338502 /nfs/dbraw/zinc/33/85/02/1038338502.db2.gz FKBQYHMVWPISSB-LJQANCHMSA-N 2 0 322.537 3.922 20 0 DHADRP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546796 1038408581 /nfs/dbraw/zinc/40/85/81/1038408581.db2.gz YVTVSFRQFPSHBS-AEFFLSMTSA-N 2 0 316.505 3.761 20 0 DHADRP [NH3+]C[C@@]1(F)CCC[N@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC001205546229 1038414430 /nfs/dbraw/zinc/41/44/30/1038414430.db2.gz SGGLBSYXTCLOTH-OAHLLOKOSA-N 2 0 319.251 3.689 20 0 DHADRP CSC1(C[NH2+][C@H](C)C[C@H](C)CC(C)C)CC[NH+](C)CC1 ZINC000589349457 1038468037 /nfs/dbraw/zinc/46/80/37/1038468037.db2.gz BGRGOJMJEPOQOA-HZPDHXFCSA-N 2 0 300.556 3.864 20 0 DHADRP CCSc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001191521412 1038513256 /nfs/dbraw/zinc/51/32/56/1038513256.db2.gz QKYZKQNCTVSQRH-NVXWUHKLSA-N 2 0 304.503 3.715 20 0 DHADRP C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(Cl)cn1 ZINC000775494304 1038573603 /nfs/dbraw/zinc/57/36/03/1038573603.db2.gz ZJFGSPXSMBTOKF-IUODEOHRSA-N 2 0 306.841 3.697 20 0 DHADRP C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(Cl)cn1 ZINC000775494303 1038573884 /nfs/dbraw/zinc/57/38/84/1038573884.db2.gz ZJFGSPXSMBTOKF-DOMZBBRYSA-N 2 0 306.841 3.697 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000590125961 1038585963 /nfs/dbraw/zinc/58/59/63/1038585963.db2.gz YJFZPAWFXLRCBZ-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603082 1038679530 /nfs/dbraw/zinc/67/95/30/1038679530.db2.gz NPUCHFUUUDKGTI-OKZBNKHCSA-N 2 0 312.542 3.915 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603988 1038683708 /nfs/dbraw/zinc/68/37/08/1038683708.db2.gz SXRJOCAQNBKQDZ-STQMWFEESA-N 2 0 300.368 3.512 20 0 DHADRP COc1ccc(Cl)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786428 1038706949 /nfs/dbraw/zinc/70/69/49/1038706949.db2.gz AJGVJWKKQXNYKO-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205616898 1038720879 /nfs/dbraw/zinc/72/08/79/1038720879.db2.gz HLRQCCAUOLTYCC-RYUDHWBXSA-N 2 0 318.358 3.651 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000598953356 1038962675 /nfs/dbraw/zinc/96/26/75/1038962675.db2.gz URDOJRVHTLVXHS-KRWDZBQOSA-N 2 0 306.519 3.691 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCc2cc(F)ccc2C1)CC(C)(C)CC[NH3+] ZINC001168414582 1038983506 /nfs/dbraw/zinc/98/35/06/1038983506.db2.gz GVLTXNUTVBHKPE-KBXCAEBGSA-N 2 0 306.469 3.674 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001168414616 1038990389 /nfs/dbraw/zinc/99/03/89/1038990389.db2.gz HFXNORNTVOCTBI-FQEVSTJZSA-N 2 0 316.464 3.537 20 0 DHADRP CCN(C/C=C\c1ccccc1OC)CCC[NH+]1CCCC1 ZINC000573725345 1039061962 /nfs/dbraw/zinc/06/19/62/1039061962.db2.gz AJKBZFTYBSWXIG-FLIBITNWSA-N 2 0 302.462 3.516 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415815 1039214927 /nfs/dbraw/zinc/21/49/27/1039214927.db2.gz CYGVEWBUKQCGQY-MISYRCLQSA-N 2 0 316.464 3.807 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168417939 1039476632 /nfs/dbraw/zinc/47/66/32/1039476632.db2.gz UOBCAGRHSOGQTP-FHWLQOOXSA-N 2 0 304.453 3.663 20 0 DHADRP COc1cccc(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000605322217 1039660092 /nfs/dbraw/zinc/66/00/92/1039660092.db2.gz LRALNJQARKXCOU-OAHLLOKOSA-N 2 0 324.896 3.950 20 0 DHADRP CC(C[NH+](C)C(C1CC1)C1CC1)C[N@H+](C)C(C1CC1)C1CC1 ZINC000605573807 1039718671 /nfs/dbraw/zinc/71/86/71/1039718671.db2.gz RKIUUDLVJRJOOR-UHFFFAOYSA-N 2 0 304.522 3.863 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](N[C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000574652314 1039755994 /nfs/dbraw/zinc/75/59/94/1039755994.db2.gz XIDBGUUJXVQOAM-RYRKJORJSA-N 2 0 315.848 3.684 20 0 DHADRP CCc1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447697 1039887084 /nfs/dbraw/zinc/88/70/84/1039887084.db2.gz OHJZHOQNRLHNBW-HXUWFJFHSA-N 2 0 300.490 3.742 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000606914517 1040034595 /nfs/dbraw/zinc/03/45/95/1040034595.db2.gz NBQLVOWTQMWJJX-VQFNDLOPSA-N 2 0 304.478 3.541 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000607192880 1040114846 /nfs/dbraw/zinc/11/48/46/1040114846.db2.gz OWURCOFOAUZFNC-UHFFFAOYSA-N 2 0 308.897 3.936 20 0 DHADRP CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000595625171 1040196485 /nfs/dbraw/zinc/19/64/85/1040196485.db2.gz LSIMWGFRVMSDOV-UHFFFAOYSA-N 2 0 316.489 3.831 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001168408310 1040266755 /nfs/dbraw/zinc/26/67/55/1040266755.db2.gz UQTKMKFOEDTQGS-LJQANCHMSA-N 2 0 304.453 3.539 20 0 DHADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000596639272 1040533195 /nfs/dbraw/zinc/53/31/95/1040533195.db2.gz TYNJVDNVAQSRJD-HZPDHXFCSA-N 2 0 306.469 3.982 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000534134594 1040727766 /nfs/dbraw/zinc/72/77/66/1040727766.db2.gz QLEVNQMCESBYIG-UHFFFAOYSA-N 2 0 320.546 3.974 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000534347791 1040815806 /nfs/dbraw/zinc/81/58/06/1040815806.db2.gz HFIGLTPVQXIXTF-UHFFFAOYSA-N 2 0 300.899 3.954 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251185 185288145 /nfs/dbraw/zinc/28/81/45/185288145.db2.gz AEGQUOZZTDAYHY-UHFFFAOYSA-N 2 0 319.674 3.534 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000091287607 193030853 /nfs/dbraw/zinc/03/08/53/193030853.db2.gz SCIUJIUDOHENQO-NRFANRHFSA-N 2 0 324.468 3.868 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C)ccc1OC ZINC000093397062 193243205 /nfs/dbraw/zinc/24/32/05/193243205.db2.gz ITEXAFWVUJTAAO-QAPCUYQASA-N 2 0 302.462 3.529 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442708626 335034698 /nfs/dbraw/zinc/03/46/98/335034698.db2.gz JXPSPAXCKVYNDY-FHERZECASA-N 2 0 302.453 3.912 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442708627 335034758 /nfs/dbraw/zinc/03/47/58/335034758.db2.gz JXPSPAXCKVYNDY-QQFBHYJXSA-N 2 0 302.453 3.912 20 0 DHADRP C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374717 130024108 /nfs/dbraw/zinc/02/41/08/130024108.db2.gz BBRVIIQUXXLNFY-APWZRJJASA-N 2 0 314.498 3.791 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274419162 130234672 /nfs/dbraw/zinc/23/46/72/130234672.db2.gz TWMXLHHSTSIGGM-HBFSDRIKSA-N 2 0 323.484 3.951 20 0 DHADRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340185574 131020276 /nfs/dbraw/zinc/02/02/76/131020276.db2.gz SFFFDWJGJOUYAH-IBGZPJMESA-N 2 0 316.489 3.576 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccs3)cc2)CC1 ZINC000284013192 131041275 /nfs/dbraw/zinc/04/12/75/131041275.db2.gz NDNQARGPUCDXCT-UHFFFAOYSA-N 2 0 316.470 3.511 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000285099228 131137852 /nfs/dbraw/zinc/13/78/52/131137852.db2.gz KGTANAINWWDXSA-XEVCZEQESA-N 2 0 316.489 3.588 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197778 131146574 /nfs/dbraw/zinc/14/65/74/131146574.db2.gz WKWTVEBHYOMVJD-YJBOKZPZSA-N 2 0 313.445 3.504 20 0 DHADRP C[N@H+](CCCSCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285453475 131169459 /nfs/dbraw/zinc/16/94/59/131169459.db2.gz JFZAVSQLAPUNQX-DFNIBXOVSA-N 2 0 318.530 3.867 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000285530274 131177386 /nfs/dbraw/zinc/17/73/86/131177386.db2.gz SHHUAQMBZNYPGV-NSCUHMNNSA-N 2 0 306.400 3.585 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC000286284371 131228062 /nfs/dbraw/zinc/22/80/62/131228062.db2.gz BUWNTVISBSFBAD-ONEGZZNKSA-N 2 0 320.427 3.975 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)CCN1Cc1ccccc1 ZINC000286999144 131259481 /nfs/dbraw/zinc/25/94/81/131259481.db2.gz JZDYNFJDMNGFKG-NZSAHSFTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)CCN1Cc1ccccc1 ZINC000286999133 131259545 /nfs/dbraw/zinc/25/95/45/131259545.db2.gz JZDYNFJDMNGFKG-BHIYHBOVSA-N 2 0 318.530 3.772 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297603121 132025101 /nfs/dbraw/zinc/02/51/01/132025101.db2.gz UMVUWRROVYYFBA-IBGZPJMESA-N 2 0 307.397 3.510 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cs1 ZINC000297823531 132035238 /nfs/dbraw/zinc/03/52/38/132035238.db2.gz RMKXWUIQWNGAJA-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CCCO2 ZINC000521045601 331607836 /nfs/dbraw/zinc/60/78/36/331607836.db2.gz XZHJMANIHLMETG-LJQANCHMSA-N 2 0 310.441 3.766 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261725552 331833171 /nfs/dbraw/zinc/83/31/71/331833171.db2.gz RCWIFVKUZBFVOR-RTWAWAEBSA-N 2 0 323.484 3.763 20 0 DHADRP CSC1(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC[NH+](C)CC1 ZINC000558505446 331914161 /nfs/dbraw/zinc/91/41/61/331914161.db2.gz HNHBUIQXHOIYOD-SFHVURJKSA-N 2 0 318.530 3.863 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449174738 331921823 /nfs/dbraw/zinc/92/18/23/331921823.db2.gz IKFASXDJGYSXAY-QGZVFWFLSA-N 2 0 300.490 3.862 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000409447897 332033143 /nfs/dbraw/zinc/03/31/43/332033143.db2.gz BRLXQKJXPFJLSM-LJQANCHMSA-N 2 0 322.537 3.922 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000131835488 332039237 /nfs/dbraw/zinc/03/92/37/332039237.db2.gz AZBNTFADICQLAW-AYHJJNSGSA-N 2 0 302.462 3.579 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000531104902 332263899 /nfs/dbraw/zinc/26/38/99/332263899.db2.gz RAJUBJPURLMPNG-YJBOKZPZSA-N 2 0 324.896 3.834 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233797 332267111 /nfs/dbraw/zinc/26/71/11/332267111.db2.gz SUWCHITZJSWSMN-BEFAXECRSA-N 2 0 304.453 3.915 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000262110988 332285318 /nfs/dbraw/zinc/28/53/18/332285318.db2.gz JTKFNTVJBOKNAO-UHFFFAOYSA-N 2 0 317.864 3.710 20 0 DHADRP C[N@@H+](Cc1ccsc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000529527404 335101555 /nfs/dbraw/zinc/10/15/55/335101555.db2.gz BYCFRPDEQJRIIF-UHFFFAOYSA-N 2 0 306.397 3.541 20 0 DHADRP Cc1cc2[nH]c(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2c(C)c1 ZINC000449527900 332362739 /nfs/dbraw/zinc/36/27/39/332362739.db2.gz LUEHOSUUCBWAAG-UHFFFAOYSA-N 2 0 301.478 3.995 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000525633289 332404106 /nfs/dbraw/zinc/40/41/06/332404106.db2.gz BCWDAIOPHMATFU-UHFFFAOYSA-N 2 0 318.505 3.682 20 0 DHADRP CSC1(C[NH2+]Cc2ccc3ccccc3c2)CC[NH+](C)CC1 ZINC000562083536 332544307 /nfs/dbraw/zinc/54/43/07/332544307.db2.gz XXGZGFHIHFXRSD-UHFFFAOYSA-N 2 0 314.498 3.757 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141950 333037841 /nfs/dbraw/zinc/03/78/41/333037841.db2.gz FPFMSMJVEUMSCB-XJKCOSOUSA-N 2 0 314.395 3.881 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cccnc2)CC1 ZINC000177869561 333132788 /nfs/dbraw/zinc/13/27/88/333132788.db2.gz PMIZZUVJNYMUHJ-GOSISDBHSA-N 2 0 315.505 3.601 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000177976706 333133635 /nfs/dbraw/zinc/13/36/35/333133635.db2.gz BKTWCBOPJGRSHO-LJQANCHMSA-N 2 0 314.477 3.501 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ncccc2C)CC1 ZINC000182738610 333179897 /nfs/dbraw/zinc/17/98/97/333179897.db2.gz QDWKXDNEQRQAHX-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000309827025 333201220 /nfs/dbraw/zinc/20/12/20/333201220.db2.gz FDASZIPOSLXFOZ-MOPGFXCFSA-N 2 0 318.530 3.631 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000309827029 333201326 /nfs/dbraw/zinc/20/13/26/333201326.db2.gz FDASZIPOSLXFOZ-RBUKOAKNSA-N 2 0 318.530 3.631 20 0 DHADRP CCCCCOc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000390315186 333264913 /nfs/dbraw/zinc/26/49/13/333264913.db2.gz OXEUYTMBRKPEQK-PMACEKPBSA-N 2 0 316.489 3.972 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000319153358 333266075 /nfs/dbraw/zinc/26/60/75/333266075.db2.gz WWUNQNKYJYHPTR-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCOCc2ccccc2)c2ccccc21 ZINC000390598213 333304567 /nfs/dbraw/zinc/30/45/67/333304567.db2.gz UYVOHSHXCQGMGG-WOJBJXKFSA-N 2 0 310.441 3.718 20 0 DHADRP C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)N(C)Cc1ccccc1 ZINC000111389291 333329254 /nfs/dbraw/zinc/32/92/54/333329254.db2.gz QROYYHRBGGMHDH-KRWDZBQOSA-N 2 0 322.452 3.573 20 0 DHADRP CCSCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000390768841 333391739 /nfs/dbraw/zinc/39/17/39/333391739.db2.gz JWIRHCKXIOOYCO-GUDVDZBRSA-N 2 0 318.530 3.630 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(COC)o1 ZINC000125244376 333508261 /nfs/dbraw/zinc/50/82/61/333508261.db2.gz ZSHHEATVIYWVQB-UHFFFAOYSA-N 2 0 316.445 3.558 20 0 DHADRP CCc1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000563252596 333512169 /nfs/dbraw/zinc/51/21/69/333512169.db2.gz SPWLFKCWVORHSC-UHFFFAOYSA-N 2 0 309.457 3.650 20 0 DHADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1C(F)(F)F ZINC000414372730 333947945 /nfs/dbraw/zinc/94/79/45/333947945.db2.gz QLYGGPZJGAMZKE-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP CCN(Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000414531179 334008614 /nfs/dbraw/zinc/00/86/14/334008614.db2.gz FVGZSGIQNDACNV-UHFFFAOYSA-N 2 0 321.534 3.920 20 0 DHADRP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414539980 334012989 /nfs/dbraw/zinc/01/29/89/334012989.db2.gz SZLKLRLQLOHTJQ-ZWKOTPCHSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414663543 334061936 /nfs/dbraw/zinc/06/19/36/334061936.db2.gz SKGUPDOZVFGRAK-GXTWGEPZSA-N 2 0 300.368 3.573 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000414666282 334062025 /nfs/dbraw/zinc/06/20/25/334062025.db2.gz GDRXAEYYXGPDOF-CHWSQXEVSA-N 2 0 314.395 3.868 20 0 DHADRP COc1ccc2cc(C[N@H+](C)C[C@H]3CC[NH2+][C@@H](C)C3)ccc2c1 ZINC000414674694 334065395 /nfs/dbraw/zinc/06/53/95/334065395.db2.gz FANMXKPYHNHCBF-RDJZCZTQSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000414680696 334067715 /nfs/dbraw/zinc/06/77/15/334067715.db2.gz NRIRVQRYNMAOGQ-CHWSQXEVSA-N 2 0 300.368 3.525 20 0 DHADRP Cc1ccc(OC2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1C ZINC000414683319 334068285 /nfs/dbraw/zinc/06/82/85/334068285.db2.gz BFRKDEJEODLTCX-MSOLQXFVSA-N 2 0 316.489 3.535 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000343531776 335175571 /nfs/dbraw/zinc/17/55/71/335175571.db2.gz OGSYIPSOWXKMGI-PDOICOKGSA-N 2 0 316.489 3.714 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414712422 334072887 /nfs/dbraw/zinc/07/28/87/334072887.db2.gz UFPQHNKQBCJPRC-VHDGCEQUSA-N 2 0 309.523 3.956 20 0 DHADRP Cc1cccc2nc(C3CCN(C[C@@H]([NH3+])CC(C)C)CC3)oc21 ZINC000414740726 334078110 /nfs/dbraw/zinc/07/81/10/334078110.db2.gz JZTHAPIIVAWVFU-INIZCTEOSA-N 2 0 315.461 3.689 20 0 DHADRP c1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774035 334091136 /nfs/dbraw/zinc/09/11/36/334091136.db2.gz FCVCZCYMSMYOFI-VQTJNVASSA-N 2 0 321.468 3.570 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780414 334093187 /nfs/dbraw/zinc/09/31/87/334093187.db2.gz LMOXDGNRWNGKHV-QZTJIDSGSA-N 2 0 324.468 3.670 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1OC(F)F ZINC000278400190 334095905 /nfs/dbraw/zinc/09/59/05/334095905.db2.gz GMRHKRPJVYTZSR-ZDUSSCGKSA-N 2 0 324.415 3.813 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ccccc12 ZINC000414786673 334096409 /nfs/dbraw/zinc/09/64/09/334096409.db2.gz USQFGLCMTVUELD-DLBZAZTESA-N 2 0 324.468 3.670 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000438202711 334096816 /nfs/dbraw/zinc/09/68/16/334096816.db2.gz QEIWSUXIKSBZMO-OCCSQVGLSA-N 2 0 304.400 3.714 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000414801953 334103267 /nfs/dbraw/zinc/10/32/67/334103267.db2.gz AUZSYODLPZGKDY-GFCCVEGCSA-N 2 0 306.356 3.598 20 0 DHADRP Cc1nc2ccc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cc2s1 ZINC000414808193 334104230 /nfs/dbraw/zinc/10/42/30/334104230.db2.gz DQWQOEZVMNYOIA-GFCCVEGCSA-N 2 0 311.454 3.914 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414813561 334106110 /nfs/dbraw/zinc/10/61/10/334106110.db2.gz UADMZVURHUNMHC-HNNXBMFYSA-N 2 0 319.493 3.634 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000414813205 334106240 /nfs/dbraw/zinc/10/62/40/334106240.db2.gz SNLYSBIIRWUDIE-GFCCVEGCSA-N 2 0 303.475 3.750 20 0 DHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414815644 334106755 /nfs/dbraw/zinc/10/67/55/334106755.db2.gz XWUAZSNLJIYKKM-HNNXBMFYSA-N 2 0 320.440 3.695 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000414815860 334106787 /nfs/dbraw/zinc/10/67/87/334106787.db2.gz YOMZRMUZYOGMDG-GFCCVEGCSA-N 2 0 324.346 3.895 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414827961 334109946 /nfs/dbraw/zinc/10/99/46/334109946.db2.gz LHTFXPBACVISNX-UXPWSPDFSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@H](C[NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414831358 334110195 /nfs/dbraw/zinc/11/01/95/334110195.db2.gz DAHGBAGZPLDHKL-KGLIPLIRSA-N 2 0 314.395 3.788 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414829899 334110458 /nfs/dbraw/zinc/11/04/58/334110458.db2.gz LIEACTMJSXQUPO-VXGBXAGGSA-N 2 0 301.261 3.514 20 0 DHADRP Clc1ccc(CCCC[NH2+]CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000414840549 334112068 /nfs/dbraw/zinc/11/20/68/334112068.db2.gz XFLVLKOOIJKSES-AWEZNQCLSA-N 2 0 315.288 3.905 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414844276 334113371 /nfs/dbraw/zinc/11/33/71/334113371.db2.gz KQMWTKRTWFTAJS-HRCADAONSA-N 2 0 312.379 3.683 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000414853570 334127227 /nfs/dbraw/zinc/12/72/27/334127227.db2.gz LBTWPHBOECPVPM-DLRXZHIHSA-N 2 0 300.490 3.937 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414854978 334128063 /nfs/dbraw/zinc/12/80/63/334128063.db2.gz MMBPGYITWCADGQ-NFAWXSAZSA-N 2 0 314.395 3.614 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000414856481 334129648 /nfs/dbraw/zinc/12/96/48/334129648.db2.gz ALGAOFLEANKUHZ-MRXNPFEDSA-N 2 0 304.478 3.658 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000414872426 334143300 /nfs/dbraw/zinc/14/33/00/334143300.db2.gz FZJPMIBTOZPOKE-LSDHHAIUSA-N 2 0 312.379 3.813 20 0 DHADRP C[C@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414897990 334161259 /nfs/dbraw/zinc/16/12/59/334161259.db2.gz AOLAOURULKYNRI-CJNGLKHVSA-N 2 0 314.395 3.788 20 0 DHADRP C[C@H](CC[NH3+])[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414901330 334164610 /nfs/dbraw/zinc/16/46/10/334164610.db2.gz WXMKTJJCJIOBAM-ZGRWHYIRSA-N 2 0 310.441 3.606 20 0 DHADRP C[C@H](CC[NH3+])[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414901177 334164991 /nfs/dbraw/zinc/16/49/91/334164991.db2.gz WXMKTJJCJIOBAM-CTEOGUNLSA-N 2 0 310.441 3.606 20 0 DHADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC000414904194 334167613 /nfs/dbraw/zinc/16/76/13/334167613.db2.gz NCDQWXUBZNTECV-NVXWUHKLSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414927788 334189996 /nfs/dbraw/zinc/18/99/96/334189996.db2.gz MLIJTECDHXPNIY-LJHODMEESA-N 2 0 301.478 3.547 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414931716 334195065 /nfs/dbraw/zinc/19/50/65/334195065.db2.gz BZSRPJHPWBXVHV-IOASZLSFSA-N 2 0 314.395 3.614 20 0 DHADRP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415083019 334272341 /nfs/dbraw/zinc/27/23/41/334272341.db2.gz DUJOEYTWAUZTHM-IPMKNSEASA-N 2 0 314.473 3.628 20 0 DHADRP CC1([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC[NH2+]CC1 ZINC000414948689 334205719 /nfs/dbraw/zinc/20/57/19/334205719.db2.gz YPDPHKDACONVDA-UHFFFAOYSA-N 2 0 304.434 3.786 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414956033 334208436 /nfs/dbraw/zinc/20/84/36/334208436.db2.gz MULWXRNCJSDJLB-LRDDRELGSA-N 2 0 304.434 3.642 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414957179 334208881 /nfs/dbraw/zinc/20/88/81/334208881.db2.gz NWSWUUJOYCSYLA-LRDDRELGSA-N 2 0 304.434 3.642 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC[NH2+]1 ZINC000414960322 334212192 /nfs/dbraw/zinc/21/21/92/334212192.db2.gz YCYHFSWEYWLECA-JSGCOSHPSA-N 2 0 304.434 3.784 20 0 DHADRP c1ccc(COc2cccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000414966152 334214340 /nfs/dbraw/zinc/21/43/40/334214340.db2.gz GDRGCMBKDNAIHJ-HXUWFJFHSA-N 2 0 324.468 3.887 20 0 DHADRP Cc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(OC(F)F)cc1C ZINC000414969874 334216121 /nfs/dbraw/zinc/21/61/21/334216121.db2.gz JTPBQNJJEBLGOC-OAHLLOKOSA-N 2 0 312.404 3.527 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000414970575 334218182 /nfs/dbraw/zinc/21/81/82/334218182.db2.gz VDIFPUCVQYQJJC-UZLBHIALSA-N 2 0 309.457 3.502 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000415082302 334273291 /nfs/dbraw/zinc/27/32/91/334273291.db2.gz DDKPCHDXBQDBEA-QZTJIDSGSA-N 2 0 308.469 3.796 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1c(F)cccc1Cl ZINC000414986978 334228398 /nfs/dbraw/zinc/22/83/98/334228398.db2.gz CZRYOBSNGOQUDI-JPZVUWATSA-N 2 0 310.844 3.517 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414990659 334230461 /nfs/dbraw/zinc/23/04/61/334230461.db2.gz AJENBUHVVABWGS-OXQOHEQNSA-N 2 0 324.468 3.969 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414996220 334235322 /nfs/dbraw/zinc/23/53/22/334235322.db2.gz GHKRTTXBSMXGCD-DOMZBBRYSA-N 2 0 300.368 3.621 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415006727 334248044 /nfs/dbraw/zinc/24/80/44/334248044.db2.gz QTMMQBGRKOAFKE-WWGRRREGSA-N 2 0 314.395 3.916 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000415008316 334250908 /nfs/dbraw/zinc/25/09/08/334250908.db2.gz SIMUUPGTYAUCLT-ZJZKXORJSA-N 2 0 316.489 3.829 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000415012033 334258359 /nfs/dbraw/zinc/25/83/59/334258359.db2.gz WUWSQIIELHWWCO-JSGCOSHPSA-N 2 0 300.368 3.621 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000415020331 334259327 /nfs/dbraw/zinc/25/93/27/334259327.db2.gz XCFQMOYRUWMRAZ-AWEZNQCLSA-N 2 0 309.885 3.547 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000415020332 334259363 /nfs/dbraw/zinc/25/93/63/334259363.db2.gz XCFQMOYRUWMRAZ-CQSZACIVSA-N 2 0 309.885 3.547 20 0 DHADRP COc1ccc(Oc2ccc(C[NH2+][C@H](C)CCC[NH3+])cc2)cc1 ZINC000415023530 334259677 /nfs/dbraw/zinc/25/96/77/334259677.db2.gz NCOVJXITPARLIJ-OAHLLOKOSA-N 2 0 314.429 3.705 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000415022370 334259710 /nfs/dbraw/zinc/25/97/10/334259710.db2.gz LMHVDMMHCHSGMN-WGLAMXGCSA-N 2 0 324.468 3.996 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026049 334259770 /nfs/dbraw/zinc/25/97/70/334259770.db2.gz RRFXBHJQCSHOLD-JYJNAYRXSA-N 2 0 306.519 3.694 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415026067 334259787 /nfs/dbraw/zinc/25/97/87/334259787.db2.gz RUVQWUIUVLMRIF-OHDICMOHSA-N 2 0 304.453 3.817 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000415028413 334260081 /nfs/dbraw/zinc/26/00/81/334260081.db2.gz CSRYRNRXFRPUAX-SWLSCSKDSA-N 2 0 304.434 3.771 20 0 DHADRP CCSc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415038163 334260666 /nfs/dbraw/zinc/26/06/66/334260666.db2.gz HNQDFIGYUIRGNS-SJLPKXTDSA-N 2 0 304.503 3.763 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415048847 334261396 /nfs/dbraw/zinc/26/13/96/334261396.db2.gz GHRPUFHFUBBLIV-DNVCBOLYSA-N 2 0 300.421 3.827 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1 ZINC000415047707 334261437 /nfs/dbraw/zinc/26/14/37/334261437.db2.gz FNHDBADZUKOXLQ-KRWDZBQOSA-N 2 0 315.486 3.980 20 0 DHADRP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000415048101 334261470 /nfs/dbraw/zinc/26/14/70/334261470.db2.gz FOZMQAYRHARZJA-BEFAXECRSA-N 2 0 300.421 3.999 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000415048245 334261472 /nfs/dbraw/zinc/26/14/72/334261472.db2.gz WRKBASRMYAFDTO-CZUORRHYSA-N 2 0 322.880 3.878 20 0 DHADRP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)CC1CCOCC1 ZINC000415054826 334261706 /nfs/dbraw/zinc/26/17/06/334261706.db2.gz NRROKVUAFBQEKU-QFBILLFUSA-N 2 0 304.478 3.509 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415056985 334261768 /nfs/dbraw/zinc/26/17/68/334261768.db2.gz STSQCKGTLXKORJ-RTWAWAEBSA-N 2 0 321.468 3.713 20 0 DHADRP CC(C)c1ncc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415059265 334261969 /nfs/dbraw/zinc/26/19/69/334261969.db2.gz UZQPGOZGRBANCN-MRXNPFEDSA-N 2 0 303.475 3.836 20 0 DHADRP c1c2ccccc2sc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415060184 334262072 /nfs/dbraw/zinc/26/20/72/334262072.db2.gz YJHJRYFRWXLPDQ-WBVHZDCISA-N 2 0 300.471 3.865 20 0 DHADRP CC1(C)Cc2cccc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)c2O1 ZINC000415058172 334262137 /nfs/dbraw/zinc/26/21/37/334262137.db2.gz SXBPXTUHOGUUBQ-IBGZPJMESA-N 2 0 324.468 3.970 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+]C[C@]2(C)CC[NH2+]C2)cc1 ZINC000415077283 334268567 /nfs/dbraw/zinc/26/85/67/334268567.db2.gz HFRNPTVXLVPXCE-HXUWFJFHSA-N 2 0 318.505 3.588 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000187763694 334271290 /nfs/dbraw/zinc/27/12/90/334271290.db2.gz YYXHCZGVBOWSDX-CQSZACIVSA-N 2 0 306.475 3.520 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000415088498 334277284 /nfs/dbraw/zinc/27/72/84/334277284.db2.gz MDACBKAQPIDENP-QGZVFWFLSA-N 2 0 308.469 3.796 20 0 DHADRP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000534496903 334277834 /nfs/dbraw/zinc/27/78/34/334277834.db2.gz KVMGWOTUFHDFEJ-HUUCEWRRSA-N 2 0 304.503 3.934 20 0 DHADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415088905 334279600 /nfs/dbraw/zinc/27/96/00/334279600.db2.gz YESCDCLDNNSMQO-OTWHNJEPSA-N 2 0 316.489 3.583 20 0 DHADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415088902 334279714 /nfs/dbraw/zinc/27/97/14/334279714.db2.gz YESCDCLDNNSMQO-IPMKNSEASA-N 2 0 316.489 3.583 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000415090540 334280065 /nfs/dbraw/zinc/28/00/65/334280065.db2.gz XULLVYPRHSFAKR-WDIPEOLASA-N 2 0 318.358 3.926 20 0 DHADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000415095056 334281012 /nfs/dbraw/zinc/28/10/12/334281012.db2.gz YSZBBKGNYYKRKX-UAGQMJEPSA-N 2 0 310.844 3.532 20 0 DHADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000415104373 334282917 /nfs/dbraw/zinc/28/29/17/334282917.db2.gz KZPUGTDQDSSTEH-VEAWUBTESA-N 2 0 314.395 3.916 20 0 DHADRP CCOc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000415121691 334284515 /nfs/dbraw/zinc/28/45/15/334284515.db2.gz ZEZYLJUEWYMQQS-OAQYLSRUSA-N 2 0 324.468 3.764 20 0 DHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000415121505 334284537 /nfs/dbraw/zinc/28/45/37/334284537.db2.gz IFNXISDCQYUGPD-RBUKOAKNSA-N 2 0 308.510 3.565 20 0 DHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000415133640 334285599 /nfs/dbraw/zinc/28/55/99/334285599.db2.gz VHYODPLHPJIOCT-SFTDATJTSA-N 2 0 324.468 3.558 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000453594423 334286862 /nfs/dbraw/zinc/28/68/62/334286862.db2.gz IODCABSKHXEFKX-UHFFFAOYSA-N 2 0 301.261 3.957 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000531939579 334298877 /nfs/dbraw/zinc/29/88/77/334298877.db2.gz MWHNFZCCYUPBRV-GOSISDBHSA-N 2 0 318.505 3.963 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)C1CCOCC1 ZINC000531939837 334298893 /nfs/dbraw/zinc/29/88/93/334298893.db2.gz JBTYZASRRWJOPL-FQEVSTJZSA-N 2 0 318.505 3.822 20 0 DHADRP COc1cc(C)ccc1[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000531942090 334301922 /nfs/dbraw/zinc/30/19/22/334301922.db2.gz VAXOBPPPHMNQQK-MRXNPFEDSA-N 2 0 304.478 3.775 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534660087 334315785 /nfs/dbraw/zinc/31/57/85/334315785.db2.gz RQNHUXBABIAOIX-WMZOPIPTSA-N 2 0 322.880 3.668 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000531979697 334351168 /nfs/dbraw/zinc/35/11/68/334351168.db2.gz FGNHEQHBERIRIW-FXAWDEMLSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c[nH]nc32)c1 ZINC000343802917 335193923 /nfs/dbraw/zinc/19/39/23/335193923.db2.gz FXFLPRCVSALGEM-UHFFFAOYSA-N 2 0 322.456 3.693 20 0 DHADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000344334626 335241933 /nfs/dbraw/zinc/24/19/33/335241933.db2.gz SOTZSBHQXNGNPT-CSMYWGQOSA-N 2 0 320.864 3.626 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)CCC2 ZINC000344780492 335276850 /nfs/dbraw/zinc/27/68/50/335276850.db2.gz YKLJXUVTVMVBMC-GBESFXJTSA-N 2 0 309.457 3.995 20 0 DHADRP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000345214173 335308130 /nfs/dbraw/zinc/30/81/30/335308130.db2.gz WRISOAVWZTZTMA-ZDUSSCGKSA-N 2 0 301.261 3.957 20 0 DHADRP Cc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc2cccnc12 ZINC000346184842 335379050 /nfs/dbraw/zinc/37/90/50/335379050.db2.gz XTVKGEIITAGAPC-LJQANCHMSA-N 2 0 311.473 3.849 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000346130521 335379322 /nfs/dbraw/zinc/37/93/22/335379322.db2.gz IVENOOZZNGTOLF-IBGZPJMESA-N 2 0 310.445 3.730 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000346141979 335380937 /nfs/dbraw/zinc/38/09/37/335380937.db2.gz ZFVRZRKONZXLNP-MRXNPFEDSA-N 2 0 306.413 3.769 20 0 DHADRP CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346158441 335383132 /nfs/dbraw/zinc/38/31/32/335383132.db2.gz BTLQGYOIQAAKLH-DNVCBOLYSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000346187995 335387896 /nfs/dbraw/zinc/38/78/96/335387896.db2.gz SQRZFIWCRJXJGC-UHFFFAOYSA-N 2 0 312.461 3.834 20 0 DHADRP Cc1cc([C@@H]([NH2+]CCCC[NH+](C)C)c2cccnc2)ccc1F ZINC000346434733 335407421 /nfs/dbraw/zinc/40/74/21/335407421.db2.gz BQYYAFQTXSHGPA-LJQANCHMSA-N 2 0 315.436 3.550 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000348071774 335550743 /nfs/dbraw/zinc/55/07/43/335550743.db2.gz IZRZJLQRDHNMFM-FQEVSTJZSA-N 2 0 316.489 3.784 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC000520462948 335980497 /nfs/dbraw/zinc/98/04/97/335980497.db2.gz IQGCTJDFPIUHAG-QWHCGFSZSA-N 2 0 324.456 3.525 20 0 DHADRP C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000352050951 336192183 /nfs/dbraw/zinc/19/21/83/336192183.db2.gz WYPNUCKMMGDYCZ-MJGOQNOKSA-N 2 0 304.453 3.723 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000333337860 336202075 /nfs/dbraw/zinc/20/20/75/336202075.db2.gz XKSJMXSTFKSCIG-DLBZAZTESA-N 2 0 301.478 3.667 20 0 DHADRP CN(C)Cc1cnc(CNCc2ccc3sccc3c2)s1 ZINC000352452171 336219922 /nfs/dbraw/zinc/21/99/22/336219922.db2.gz BZQGINIGIUEWMI-UHFFFAOYSA-N 2 0 317.483 3.709 20 0 DHADRP CC(C)COc1cccc(C[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000352451273 336219956 /nfs/dbraw/zinc/21/99/56/336219956.db2.gz VOCQTVLGVJUOBS-KRWDZBQOSA-N 2 0 313.445 3.585 20 0 DHADRP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000395649862 336221101 /nfs/dbraw/zinc/22/11/01/336221101.db2.gz JTXKAFLVYOZVHG-CQSZACIVSA-N 2 0 304.384 3.747 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000324496230 336223324 /nfs/dbraw/zinc/22/33/24/336223324.db2.gz JYUFVNBOBKKDCI-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP COc1ccc([C@H](C)NCCC[NH+]2CCCCC2)cc1Cl ZINC000532454653 336248269 /nfs/dbraw/zinc/24/82/69/336248269.db2.gz JDHAFZRSTRNOHN-AWEZNQCLSA-N 2 0 310.869 3.875 20 0 DHADRP CCc1ccc(C[NH2+]C[C@H](CC)N2CCc3ccccc3C2)cn1 ZINC000352834529 336271478 /nfs/dbraw/zinc/27/14/78/336271478.db2.gz XKQRUAXKKVXCPZ-NRFANRHFSA-N 2 0 323.484 3.571 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000192935956 336285203 /nfs/dbraw/zinc/28/52/03/336285203.db2.gz GPSURHHTFHJCJJ-ICSRJNTNSA-N 2 0 308.469 3.902 20 0 DHADRP Cc1cc(NC[C@H](c2cccc(F)c2)[NH+](C)C)nc(C(C)C)n1 ZINC000301062658 336287942 /nfs/dbraw/zinc/28/79/42/336287942.db2.gz NBNNIACUIISDNL-MRXNPFEDSA-N 2 0 316.424 3.762 20 0 DHADRP Clc1ccc2c(c1)nccc2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301244814 336296521 /nfs/dbraw/zinc/29/65/21/336296521.db2.gz KTIXTPYNLXTCRY-OAHLLOKOSA-N 2 0 315.848 3.953 20 0 DHADRP Cc1ccnc(N2CCN([C@H](C)c3ccccc3Cl)CC2)c1 ZINC000301665669 336321931 /nfs/dbraw/zinc/32/19/31/336321931.db2.gz ZVYBSRCASBWTIQ-OAHLLOKOSA-N 2 0 315.848 3.927 20 0 DHADRP Cc1ccc([C@H](CNc2nc(C)nc(C)c2C)[NH+]2CCCC2)o1 ZINC000301676906 336322831 /nfs/dbraw/zinc/32/28/31/336322831.db2.gz HWHYNXRFOVQGDH-INIZCTEOSA-N 2 0 314.433 3.552 20 0 DHADRP CCCc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2ccccc2[nH+]1 ZINC000301795744 336330437 /nfs/dbraw/zinc/33/04/37/336330437.db2.gz PVGNNIFLTDIERK-QGZVFWFLSA-N 2 0 307.441 3.638 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000514104395 336352213 /nfs/dbraw/zinc/35/22/13/336352213.db2.gz JMBSRBWXFOURKY-OTWHNJEPSA-N 2 0 318.530 3.691 20 0 DHADRP COc1cccc(Cl)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000514130554 336375005 /nfs/dbraw/zinc/37/50/05/336375005.db2.gz LYJKWWWISXDXJK-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP Cc1cccc(CCC[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC000352920812 336377085 /nfs/dbraw/zinc/37/70/85/336377085.db2.gz ATYDJSUPYMEJED-RXVVDRJESA-N 2 0 323.484 3.748 20 0 DHADRP Cc1cccc(CCC[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC000352920811 336377154 /nfs/dbraw/zinc/37/71/54/336377154.db2.gz ATYDJSUPYMEJED-NQIIRXRSSA-N 2 0 323.484 3.748 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000353024283 336380465 /nfs/dbraw/zinc/38/04/65/336380465.db2.gz ZQRMRXHCFUZHSE-QAPCUYQASA-N 2 0 304.503 3.514 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000563910018 336382880 /nfs/dbraw/zinc/38/28/80/336382880.db2.gz AIWJOFBQBYOXJT-HKUYNNGSSA-N 2 0 310.526 3.636 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000514603629 336385719 /nfs/dbraw/zinc/38/57/19/336385719.db2.gz SVOIDZDVMDAERV-LJQANCHMSA-N 2 0 300.421 3.641 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000353647422 336431434 /nfs/dbraw/zinc/43/14/34/336431434.db2.gz SARQYKBJWSCNIS-AFMYVXGZSA-N 2 0 309.457 3.633 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000355782971 336522035 /nfs/dbraw/zinc/52/20/35/336522035.db2.gz YCHVIOKKVPPZQW-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358027051 336607197 /nfs/dbraw/zinc/60/71/97/336607197.db2.gz VDOYQGAACPHYQC-WOCWXWTJSA-N 2 0 316.489 3.574 20 0 DHADRP CCc1noc(C)c1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000359881936 336691183 /nfs/dbraw/zinc/69/11/83/336691183.db2.gz XIJNJZXDIIDPGA-UHFFFAOYSA-N 2 0 321.509 3.879 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360838355 336723862 /nfs/dbraw/zinc/72/38/62/336723862.db2.gz UELSNGOVZIXTQE-HLIPFELVSA-N 2 0 315.505 3.880 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)cc1 ZINC000362919436 336814821 /nfs/dbraw/zinc/81/48/21/336814821.db2.gz UNLUODXRPIITAF-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370305450 336882163 /nfs/dbraw/zinc/88/21/63/336882163.db2.gz KQNLETOVYYOZRM-RZMNMVRNSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000371392189 336902199 /nfs/dbraw/zinc/90/21/99/336902199.db2.gz LMWOHZDSACWLFQ-UHFFFAOYSA-N 2 0 309.457 3.522 20 0 DHADRP C[C@H](CCc1ccccc1F)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373468461 336961439 /nfs/dbraw/zinc/96/14/39/336961439.db2.gz VIWVBXXPYHPEAZ-FAEJEUNOSA-N 2 0 304.453 3.753 20 0 DHADRP C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC1CCOCC1 ZINC000375593853 337014134 /nfs/dbraw/zinc/01/41/34/337014134.db2.gz AQIYMBFWKJOOJZ-IBGZPJMESA-N 2 0 308.510 3.534 20 0 DHADRP CC(C)c1nccn1[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000375860133 337021759 /nfs/dbraw/zinc/02/17/59/337021759.db2.gz LRRAFIMMVPNPAX-OAHLLOKOSA-N 2 0 318.852 3.892 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000376099242 337026914 /nfs/dbraw/zinc/02/69/14/337026914.db2.gz SCKAZDOZRIUSJK-YMAMQOFZSA-N 2 0 306.416 3.771 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000376416111 337033022 /nfs/dbraw/zinc/03/30/22/337033022.db2.gz QWBOFXWUNKUYPG-LMDPOFIKSA-N 2 0 308.510 3.722 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376417054 337033026 /nfs/dbraw/zinc/03/30/26/337033026.db2.gz WHADYQDDWVZCLD-VCAKUFKGSA-N 2 0 322.537 3.826 20 0 DHADRP Fc1ccccc1C1CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376470091 337034153 /nfs/dbraw/zinc/03/41/53/337034153.db2.gz YUHACSOMAHNYEQ-UHFFFAOYSA-N 2 0 302.437 3.536 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000376608811 337037915 /nfs/dbraw/zinc/03/79/15/337037915.db2.gz GSYFBKKYWLLVPC-IBGZPJMESA-N 2 0 322.537 3.683 20 0 DHADRP CCC1(C[NH2+]C2CCN(Cc3cccnc3)CC2)CCCC1 ZINC000123463923 337048437 /nfs/dbraw/zinc/04/84/37/337048437.db2.gz VOTJYOHJVJXEPJ-UHFFFAOYSA-N 2 0 301.478 3.606 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccs2)CS1 ZINC000377385949 337051555 /nfs/dbraw/zinc/05/15/55/337051555.db2.gz KMAYTPXNEVHSFI-NXNVCVFFSA-N 2 0 324.559 3.861 20 0 DHADRP FCCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377394899 337051744 /nfs/dbraw/zinc/05/17/44/337051744.db2.gz CJTLDPBYWMISHM-UHFFFAOYSA-N 2 0 304.453 3.724 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CC(c3ccccn3)C2)C1 ZINC000377619078 337056619 /nfs/dbraw/zinc/05/66/19/337056619.db2.gz DLQFAYOSHWJONW-YXWAVELNSA-N 2 0 315.505 3.675 20 0 DHADRP Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000377807925 337061692 /nfs/dbraw/zinc/06/16/92/337061692.db2.gz VENYYRAAIXQFHN-ZQIUZPCESA-N 2 0 319.474 3.778 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378190890 337068088 /nfs/dbraw/zinc/06/80/88/337068088.db2.gz QESRWJPBPBNICV-MYZSUADSSA-N 2 0 324.921 3.967 20 0 DHADRP CCC[C@H](C)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378440488 337072733 /nfs/dbraw/zinc/07/27/33/337072733.db2.gz BIHQWYFPHKQSHH-SFHVURJKSA-N 3 0 323.569 3.551 20 0 DHADRP c1cn(CCC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cn1 ZINC000378441143 337072790 /nfs/dbraw/zinc/07/27/90/337072790.db2.gz GZAJSUXKRYZRED-LJQANCHMSA-N 2 0 323.465 3.982 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000378517692 337074928 /nfs/dbraw/zinc/07/49/28/337074928.db2.gz KMUZETPVOMOQNW-KPFFTGBYSA-N 2 0 312.457 3.883 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515301 337074933 /nfs/dbraw/zinc/07/49/33/337074933.db2.gz GKDJXSXVHWAQNY-NDXORKPFSA-N 2 0 324.468 3.523 20 0 DHADRP c1cc2cc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000393843198 337094101 /nfs/dbraw/zinc/09/41/01/337094101.db2.gz APPARMIYSIZUOL-IBGZPJMESA-N 2 0 319.452 3.780 20 0 DHADRP CCc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c2ccccc2[nH+]1 ZINC000582478531 337096341 /nfs/dbraw/zinc/09/63/41/337096341.db2.gz RAENAYYZWQZYPD-DOTOQJQBSA-N 2 0 309.457 3.860 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000584358890 337102402 /nfs/dbraw/zinc/10/24/02/337102402.db2.gz JXXGSACUONFLHD-WBVHZDCISA-N 2 0 312.457 3.939 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000178034382 337159992 /nfs/dbraw/zinc/15/99/92/337159992.db2.gz PXHBJUBTPCZTIH-IJEWVQPXSA-N 2 0 324.534 3.905 20 0 DHADRP Fc1ccc(F)c(C[N@H+](CC2CC[NH2+]CC2)C2CCCC2)c1 ZINC000178976614 337166578 /nfs/dbraw/zinc/16/65/78/337166578.db2.gz ZOSVGWPYZQVHBK-UHFFFAOYSA-N 2 0 308.416 3.709 20 0 DHADRP c1ccc2c(NCC3CCN(c4cc[nH+]cc4)CC3)cc[nH+]c2c1 ZINC000180043996 337173374 /nfs/dbraw/zinc/17/33/74/337173374.db2.gz OMOFIRUNLBXNFU-UHFFFAOYSA-N 2 0 318.424 3.958 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000180935038 337178642 /nfs/dbraw/zinc/17/86/42/337178642.db2.gz OJZVFAUZVPLRGG-UZLBHIALSA-N 2 0 309.457 3.884 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000181517922 337182652 /nfs/dbraw/zinc/18/26/52/337182652.db2.gz YGWIPRCGXGDBPH-BBRMVZONSA-N 2 0 309.523 3.779 20 0 DHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000469866146 337196104 /nfs/dbraw/zinc/19/61/04/337196104.db2.gz XKYKBGCMMLNZOO-STQMWFEESA-N 2 0 304.434 3.723 20 0 DHADRP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)o1 ZINC000184734736 337199206 /nfs/dbraw/zinc/19/92/06/337199206.db2.gz RGCKBCBBRBSYHF-BFYDXBDKSA-N 2 0 313.445 3.591 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000582820048 337200759 /nfs/dbraw/zinc/20/07/59/337200759.db2.gz VOHOIPBLGHSJIC-IBGZPJMESA-N 2 0 322.537 3.922 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000582938478 337219846 /nfs/dbraw/zinc/21/98/46/337219846.db2.gz VVEJVJKMYZGQMV-MRXNPFEDSA-N 2 0 324.896 3.773 20 0 DHADRP CSC1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000582994095 337223360 /nfs/dbraw/zinc/22/33/60/337223360.db2.gz KGCRTNPWXDGLAU-ROUUACIJSA-N 2 0 318.530 3.740 20 0 DHADRP CC(C)OC1CC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000186550980 337257460 /nfs/dbraw/zinc/25/74/60/337257460.db2.gz AYGITLHOEAGRMJ-OVZGMEQFSA-N 2 0 316.489 3.585 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CCSCC2)c1 ZINC000187164376 337263427 /nfs/dbraw/zinc/26/34/27/337263427.db2.gz ULHFBYLDLJAEQD-HNNXBMFYSA-N 2 0 306.519 3.760 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1nc(-c2ccccc2)cs1 ZINC000583290380 337307374 /nfs/dbraw/zinc/30/73/74/337307374.db2.gz UDZHZPZCPDVQAM-WMLDXEAASA-N 2 0 315.486 3.582 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000583862527 337354133 /nfs/dbraw/zinc/35/41/33/337354133.db2.gz LKCZZZJAMFFOPT-MJGOQNOKSA-N 2 0 312.542 3.641 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000584524169 337355381 /nfs/dbraw/zinc/35/53/81/337355381.db2.gz OBLLEXVACRTELV-MKXGPGLRSA-N 2 0 315.505 3.771 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000584594168 337373690 /nfs/dbraw/zinc/37/36/90/337373690.db2.gz UCNIZPUCIRIBIL-UHFFFAOYSA-N 2 0 304.821 3.771 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000527106858 337470484 /nfs/dbraw/zinc/47/04/84/337470484.db2.gz AZPSFXSMBLUJMC-UHFFFAOYSA-N 2 0 318.505 3.899 20 0 DHADRP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420228211 337496939 /nfs/dbraw/zinc/49/69/39/337496939.db2.gz KRIGRFZKLLKRCG-VBNZEHGJSA-N 2 0 315.848 3.679 20 0 DHADRP Cc1ccc(C)c(OC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420300564 337498923 /nfs/dbraw/zinc/49/89/23/337498923.db2.gz IBIIDTYRZWRNTL-GOSISDBHSA-N 2 0 316.489 3.536 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000420406337 337500745 /nfs/dbraw/zinc/50/07/45/337500745.db2.gz NRIWYCKGEUKTGN-IRXDYDNUSA-N 2 0 300.471 3.539 20 0 DHADRP CCCCOc1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421375552 337528617 /nfs/dbraw/zinc/52/86/17/337528617.db2.gz QIRNVKVIZJSRPS-UHFFFAOYSA-N 2 0 304.478 3.828 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000571703373 337572040 /nfs/dbraw/zinc/57/20/40/337572040.db2.gz GTWCXMCHOOTMCM-QXAKKESOSA-N 2 0 316.489 3.685 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CCCO2 ZINC000421890598 337655426 /nfs/dbraw/zinc/65/54/26/337655426.db2.gz YBECPNPDCKRLME-TVPLGVNVSA-N 2 0 316.489 3.980 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421875051 337657769 /nfs/dbraw/zinc/65/77/69/337657769.db2.gz JMXWZONSNMWHLD-SOAGJPPSSA-N 2 0 318.505 3.690 20 0 DHADRP CCCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422686452 337683306 /nfs/dbraw/zinc/68/33/06/337683306.db2.gz AEEPLBRBTDPJMV-XUVXKRRUSA-N 2 0 316.489 3.624 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422698267 337683468 /nfs/dbraw/zinc/68/34/68/337683468.db2.gz YKLVAMGDICPZLF-TZIWHRDSSA-N 2 0 322.452 3.649 20 0 DHADRP c1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422698936 337683486 /nfs/dbraw/zinc/68/34/86/337683486.db2.gz BVEWFAADFZKMCU-YSIASYRMSA-N 2 0 309.457 3.635 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000422706919 337683564 /nfs/dbraw/zinc/68/35/64/337683564.db2.gz VFCHXTVTZHJMQW-HNAYVOBHSA-N 2 0 300.421 3.827 20 0 DHADRP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC)cc1 ZINC000422718688 337684024 /nfs/dbraw/zinc/68/40/24/337684024.db2.gz XOKCLLJTUYTUPZ-RZRMAFQFSA-N 2 0 302.462 3.799 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422728506 337684377 /nfs/dbraw/zinc/68/43/77/337684377.db2.gz JEJCLDDXAGFJER-LBPRGKRZSA-N 2 0 300.849 3.864 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]1C ZINC000422736966 337684485 /nfs/dbraw/zinc/68/44/85/337684485.db2.gz WSFXLFDCBKITFH-CTALVQFKSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]1C ZINC000422736965 337684528 /nfs/dbraw/zinc/68/45/28/337684528.db2.gz WSFXLFDCBKITFH-BYDUFCQCSA-N 2 0 314.473 3.657 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000422738641 337684663 /nfs/dbraw/zinc/68/46/63/337684663.db2.gz JYRHPINPDNPXHN-LBPRGKRZSA-N 2 0 303.475 3.539 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422739954 337684701 /nfs/dbraw/zinc/68/47/01/337684701.db2.gz AWEZKFFLFTYVMU-ZAAXVRCTSA-N 2 0 308.425 3.593 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccs1 ZINC000422746766 337684781 /nfs/dbraw/zinc/68/47/81/337684781.db2.gz XIEROROMWZRAAF-GOEBONIOSA-N 2 0 302.487 3.574 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000422749011 337684890 /nfs/dbraw/zinc/68/48/90/337684890.db2.gz WZYMYBVNAWMPPK-RYUDHWBXSA-N 2 0 303.837 3.914 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422754596 337685163 /nfs/dbraw/zinc/68/51/63/337685163.db2.gz FBHTZHMSEBHPON-YOEHRIQHSA-N 2 0 300.471 3.538 20 0 DHADRP Clc1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422772188 337685815 /nfs/dbraw/zinc/68/58/15/337685815.db2.gz RVAGQGGMVYECHQ-BRWVUGGUSA-N 2 0 324.921 3.942 20 0 DHADRP COC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422773002 337685912 /nfs/dbraw/zinc/68/59/12/337685912.db2.gz ZZZITFCSZMOYRL-SWLSCSKDSA-N 2 0 318.383 3.500 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)oc21 ZINC000422786017 337686617 /nfs/dbraw/zinc/68/66/17/337686617.db2.gz NYXXGTDPDYVFLT-YCPHGPKFSA-N 2 0 316.445 3.870 20 0 DHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422785320 337686650 /nfs/dbraw/zinc/68/66/50/337686650.db2.gz QVDPVKVGJOVGBX-CABCVRRESA-N 2 0 310.441 3.621 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790992 337686689 /nfs/dbraw/zinc/68/66/89/337686689.db2.gz CSHLVFXQBCSDFQ-ZJOUEHCJSA-N 2 0 320.436 3.519 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790990 337686710 /nfs/dbraw/zinc/68/67/10/337686710.db2.gz CSHLVFXQBCSDFQ-IRFCIJBXSA-N 2 0 320.436 3.519 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000422742477 337686806 /nfs/dbraw/zinc/68/68/06/337686806.db2.gz PWVNYUHTZRWEJK-ZWKOTPCHSA-N 2 0 324.896 3.915 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422801961 337687403 /nfs/dbraw/zinc/68/74/03/337687403.db2.gz CRWQTVCPOGANLT-MUGJNUQGSA-N 2 0 316.489 3.583 20 0 DHADRP [NH3+][C@H]1C[C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000422802251 337687408 /nfs/dbraw/zinc/68/74/08/337687408.db2.gz DDXCDSUPJFGRFK-SFTDATJTSA-N 2 0 321.468 3.517 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422812146 337687761 /nfs/dbraw/zinc/68/77/61/337687761.db2.gz PZUDNTUMOZLXQT-UWVGGRQHSA-N 2 0 309.401 3.720 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422820394 337688042 /nfs/dbraw/zinc/68/80/42/337688042.db2.gz QJEPSIKNIDBCHJ-FLXSYLCISA-N 2 0 310.551 3.951 20 0 DHADRP Cc1cc(Br)cc(C)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422825188 337688209 /nfs/dbraw/zinc/68/82/09/337688209.db2.gz PEIOURSLTHWXFA-CYBMUJFWSA-N 2 0 313.283 3.673 20 0 DHADRP CCOCc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000422832929 337688503 /nfs/dbraw/zinc/68/85/03/337688503.db2.gz LUSUUYNPTCQQLO-APWZRJJASA-N 2 0 304.478 3.624 20 0 DHADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422881150 337689808 /nfs/dbraw/zinc/68/98/08/337689808.db2.gz POYHOJUUPYIDLQ-RCCFBDPRSA-N 2 0 304.503 3.809 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422890594 337690263 /nfs/dbraw/zinc/69/02/63/337690263.db2.gz SMKHZKGGLLRCJF-UYAOXDASSA-N 2 0 312.457 3.716 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000422918876 337691402 /nfs/dbraw/zinc/69/14/02/337691402.db2.gz IPXBJLCWCMEOBG-AEFFLSMTSA-N 2 0 308.510 3.626 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000422948014 337691734 /nfs/dbraw/zinc/69/17/34/337691734.db2.gz RKNSEEMXKIXJFU-ZDUSSCGKSA-N 2 0 315.848 3.842 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000422934768 337692238 /nfs/dbraw/zinc/69/22/38/337692238.db2.gz JWCSJEJAEOGIOE-GFCCVEGCSA-N 2 0 301.459 3.521 20 0 DHADRP COc1cccc(C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c2ccccc2)c1 ZINC000422937310 337692368 /nfs/dbraw/zinc/69/23/68/337692368.db2.gz JKRKNNGFOLVENB-OXJNMPFZSA-N 2 0 312.457 3.696 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)CCC[NH3+])c2ccc(C)cc2)cc1 ZINC000422937584 337692399 /nfs/dbraw/zinc/69/23/99/337692399.db2.gz OIFDCKZAJSRIPA-OXJNMPFZSA-N 2 0 312.457 3.810 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422937764 337692535 /nfs/dbraw/zinc/69/25/35/337692535.db2.gz ORRILXPJZRJLBR-CHWSQXEVSA-N 2 0 303.475 3.897 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422939234 337692540 /nfs/dbraw/zinc/69/25/40/337692540.db2.gz IAJOFHUUFBTPDI-GXTWGEPZSA-N 2 0 301.261 3.643 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OCC(C)C ZINC000422945342 337692984 /nfs/dbraw/zinc/69/29/84/337692984.db2.gz UEFABTVUUGOJDL-ILXRZTDVSA-N 2 0 308.466 3.506 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]C1 ZINC000422958986 337694955 /nfs/dbraw/zinc/69/49/55/337694955.db2.gz ZVKFWGCXEUFONL-ZIBATOQPSA-N 2 0 313.272 3.958 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423015836 337695681 /nfs/dbraw/zinc/69/56/81/337695681.db2.gz LJPLWZRJZYCLLZ-NSHDSACASA-N 2 0 321.317 3.944 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423018239 337695763 /nfs/dbraw/zinc/69/57/63/337695763.db2.gz QMAVOIABMMFODS-BTYIYWSLSA-N 2 0 323.484 3.794 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423028228 337696188 /nfs/dbraw/zinc/69/61/88/337696188.db2.gz SJHGJKVSAHTJNG-DEYYWGMASA-N 2 0 317.864 3.734 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000423045024 337697059 /nfs/dbraw/zinc/69/70/59/337697059.db2.gz RYLBKAUHUNSYPT-LDTOTXGLSA-N 2 0 318.505 3.518 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000423060427 337697697 /nfs/dbraw/zinc/69/76/97/337697697.db2.gz IEYNILVUHBWKII-FPOVZHCZSA-N 2 0 324.468 3.684 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423061728 337697857 /nfs/dbraw/zinc/69/78/57/337697857.db2.gz RMIXZUUQMXCSHB-NDUPCHFUSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423061726 337697901 /nfs/dbraw/zinc/69/79/01/337697901.db2.gz RMIXZUUQMXCSHB-HNAWSFBYSA-N 2 0 314.473 3.801 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1-c1ccccc1 ZINC000423066783 337698159 /nfs/dbraw/zinc/69/81/59/337698159.db2.gz XWGBNBGYKUMDOQ-MAODMQOUSA-N 2 0 324.468 3.504 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423069352 337698186 /nfs/dbraw/zinc/69/81/86/337698186.db2.gz AUQZDYLODLUTRB-GUDVDZBRSA-N 2 0 301.478 3.519 20 0 DHADRP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423079773 337698602 /nfs/dbraw/zinc/69/86/02/337698602.db2.gz AVCIHBMBUOPNEN-VNTMZGSJSA-N 2 0 316.489 3.665 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423108554 337699846 /nfs/dbraw/zinc/69/98/46/337699846.db2.gz TZEJQYLJGDLIOQ-IJNIYJAUSA-N 2 0 309.457 3.620 20 0 DHADRP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423144992 337701547 /nfs/dbraw/zinc/70/15/47/337701547.db2.gz IPFYFMVTIRNYQU-FZDIXFNVSA-N 2 0 320.427 3.853 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423165436 337702140 /nfs/dbraw/zinc/70/21/40/337702140.db2.gz QAEGNYYEQGUNAG-NXHRZFHOSA-N 2 0 324.896 3.710 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423198081 337703604 /nfs/dbraw/zinc/70/36/04/337703604.db2.gz CZADIJWLENUJPM-INIZCTEOSA-N 2 0 308.878 3.884 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423212481 337704433 /nfs/dbraw/zinc/70/44/33/337704433.db2.gz LZPVFCRNLOTAQY-HZPDHXFCSA-N 2 0 313.489 3.813 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220010 337705211 /nfs/dbraw/zinc/70/52/11/337705211.db2.gz XQJRVNYJNKDMDU-UKRRQHHQSA-N 2 0 312.910 3.800 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423248623 337707246 /nfs/dbraw/zinc/70/72/46/337707246.db2.gz NRCPKVPJGHERBJ-LAUBAEHRSA-N 2 0 324.468 3.568 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423249952 337707289 /nfs/dbraw/zinc/70/72/89/337707289.db2.gz PPRPYJAPEFZIJE-FOIQADDNSA-N 2 0 312.457 3.889 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423257244 337707679 /nfs/dbraw/zinc/70/76/79/337707679.db2.gz IIFMBTPDRXVFBA-CHWSQXEVSA-N 2 0 300.368 3.746 20 0 DHADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423255784 337707689 /nfs/dbraw/zinc/70/76/89/337707689.db2.gz ATUBAKHZHBAXCV-LIRRHRJNSA-N 2 0 300.446 3.745 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423255714 337707730 /nfs/dbraw/zinc/70/77/30/337707730.db2.gz ANZGPHIKQNXZKX-HZPDHXFCSA-N 2 0 312.457 3.868 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423259585 337707859 /nfs/dbraw/zinc/70/78/59/337707859.db2.gz OIUMIGFWGFURSQ-HZPDHXFCSA-N 2 0 312.457 3.889 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423262088 337708101 /nfs/dbraw/zinc/70/81/01/337708101.db2.gz UGTNTPMBEFFQBF-KGLIPLIRSA-N 2 0 312.404 3.637 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423264798 337708253 /nfs/dbraw/zinc/70/82/53/337708253.db2.gz ZCGBXBCTKQASHH-CVEARBPZSA-N 2 0 312.457 3.889 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OCC ZINC000423277369 337708940 /nfs/dbraw/zinc/70/89/40/337708940.db2.gz PLJRMEKBHZUJMQ-BHYGNILZSA-N 2 0 320.477 3.652 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OCC ZINC000423277371 337709026 /nfs/dbraw/zinc/70/90/26/337709026.db2.gz PLJRMEKBHZUJMQ-USXIJHARSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(Br)cs1 ZINC000423278378 337709069 /nfs/dbraw/zinc/70/90/69/337709069.db2.gz PSHPWSUCKNYYHN-JBLDHEPKSA-N 2 0 317.296 3.679 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423292054 337710122 /nfs/dbraw/zinc/71/01/22/337710122.db2.gz LBRBMTYLKGEGCW-ABAIWWIYSA-N 2 0 301.459 3.638 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423297905 337710923 /nfs/dbraw/zinc/71/09/23/337710923.db2.gz MKHJTCXYTVNSGV-QWRGUYRKSA-N 2 0 307.438 3.503 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423321505 337711856 /nfs/dbraw/zinc/71/18/56/337711856.db2.gz GFUUOVPLCFQWSM-MRXNPFEDSA-N 2 0 304.478 3.762 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCCS2 ZINC000423331690 337712465 /nfs/dbraw/zinc/71/24/65/337712465.db2.gz CSNOEIHSXKYSBI-HNNXBMFYSA-N 2 0 308.878 3.776 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000423338289 337712749 /nfs/dbraw/zinc/71/27/49/337712749.db2.gz WAGCOCDHVMZAFA-UKRRQHHQSA-N 2 0 312.379 3.813 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423345947 337713172 /nfs/dbraw/zinc/71/31/72/337713172.db2.gz OQPKRPRNKGHHSF-UXHICEINSA-N 2 0 314.473 3.619 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCCS2 ZINC000423351991 337713688 /nfs/dbraw/zinc/71/36/88/337713688.db2.gz ZWYCGCPKESZHIE-SJLPKXTDSA-N 2 0 320.502 3.602 20 0 DHADRP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423358638 337714207 /nfs/dbraw/zinc/71/42/07/337714207.db2.gz CBMWUDHEDZIAII-RRFJBIMHSA-N 2 0 323.278 3.604 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423359663 337714409 /nfs/dbraw/zinc/71/44/09/337714409.db2.gz VDTCEBAYRXRHFD-GFCCVEGCSA-N 2 0 317.433 3.520 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423406835 337716029 /nfs/dbraw/zinc/71/60/29/337716029.db2.gz VDQLERVKZQJULS-HEHGZKQESA-N 2 0 315.486 3.767 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423421485 337716748 /nfs/dbraw/zinc/71/67/48/337716748.db2.gz CFOBSAFBTLRMSL-JLSDUUJJSA-N 2 0 324.896 3.537 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423424781 337716947 /nfs/dbraw/zinc/71/69/47/337716947.db2.gz DAIHMJJNIYUWJM-UHOFOFEASA-N 2 0 324.415 3.635 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423444294 337719487 /nfs/dbraw/zinc/71/94/87/337719487.db2.gz WOPUOOFPKHFZNF-QWHCGFSZSA-N 2 0 300.393 3.765 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423443784 337719547 /nfs/dbraw/zinc/71/95/47/337719547.db2.gz AQGZXMMQOCWIGP-KBXCAEBGSA-N 2 0 317.864 3.736 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423448488 337719728 /nfs/dbraw/zinc/71/97/28/337719728.db2.gz FHMYUQWDBVFSMG-BEFAXECRSA-N 2 0 300.421 3.827 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423456506 337720413 /nfs/dbraw/zinc/72/04/13/337720413.db2.gz NUZKNGFKVXJLAO-RYUDHWBXSA-N 2 0 307.438 3.727 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000423461763 337720650 /nfs/dbraw/zinc/72/06/50/337720650.db2.gz CREPLYLFRMAMIY-SGIREYDYSA-N 2 0 323.278 3.544 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423469732 337720957 /nfs/dbraw/zinc/72/09/57/337720957.db2.gz KKOTZRZXNRKAJX-JJRVBVJISA-N 2 0 322.880 3.969 20 0 DHADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423470001 337721104 /nfs/dbraw/zinc/72/11/04/337721104.db2.gz ZCPCIMPYXQDKQY-ZIAGYGMSSA-N 2 0 317.502 3.820 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423472787 337721254 /nfs/dbraw/zinc/72/12/54/337721254.db2.gz GEECDXDBXGFPBW-WFASDCNBSA-N 2 0 311.267 3.632 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000423472086 337721338 /nfs/dbraw/zinc/72/13/38/337721338.db2.gz XGTXVYLZZHANCD-LNSITVRQSA-N 2 0 310.894 3.984 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423474997 337721561 /nfs/dbraw/zinc/72/15/61/337721561.db2.gz ZOSZJOMYJAGTIB-ZOWXZIJZSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423479675 337721861 /nfs/dbraw/zinc/72/18/61/337721861.db2.gz MJUHMFAJYOYGOE-SWLSCSKDSA-N 2 0 300.368 3.888 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000423512866 337723958 /nfs/dbraw/zinc/72/39/58/337723958.db2.gz RCBMGZKCLNFKEK-GZBFAFLISA-N 2 0 310.869 3.905 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[NH2+]C3CC3)cs2)cs1 ZINC000423517249 337724331 /nfs/dbraw/zinc/72/43/31/337724331.db2.gz BLAINNHDBVLVSB-NSHDSACASA-N 2 0 321.515 3.973 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[C@@H](C[NH3+])C3)oc21 ZINC000423524819 337724535 /nfs/dbraw/zinc/72/45/35/337724535.db2.gz ZZOHYYCSMWTMOG-GUTXKFCHSA-N 2 0 302.418 3.610 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2ccccc2)o1 ZINC000423545296 337725349 /nfs/dbraw/zinc/72/53/49/337725349.db2.gz PDJSENNISZQVDJ-XOYOTBSWSA-N 2 0 310.441 3.985 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1C(F)(F)F ZINC000423550208 337725466 /nfs/dbraw/zinc/72/54/66/337725466.db2.gz SPJCNVJIMYQJLC-IGQOVBAYSA-N 2 0 312.379 3.744 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527858880 337769634 /nfs/dbraw/zinc/76/96/34/337769634.db2.gz MXKJQZXKCBQDSE-FQEVSTJZSA-N 2 0 318.505 3.783 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424207917 337809772 /nfs/dbraw/zinc/80/97/72/337809772.db2.gz QXODRJARTJKVTD-FUHWJXTLSA-N 2 0 310.445 3.634 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120886240 337880117 /nfs/dbraw/zinc/88/01/17/337880117.db2.gz MEKDYDNFSSLEGQ-JLTOFOAXSA-N 2 0 312.432 3.910 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000090775404 337885260 /nfs/dbraw/zinc/88/52/60/337885260.db2.gz QKJPVHOGUBAFAP-ACBHZAAOSA-N 2 0 318.509 3.504 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1 ZINC000122382599 337916271 /nfs/dbraw/zinc/91/62/71/337916271.db2.gz KZGSWBLKKSCTBP-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000123287742 337964122 /nfs/dbraw/zinc/96/41/22/337964122.db2.gz IWFCCFFHAWKECC-UHFFFAOYSA-N 2 0 304.478 3.509 20 0 DHADRP CC(C)SCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000514235563 337968573 /nfs/dbraw/zinc/96/85/73/337968573.db2.gz FGRXQIZARWRQQI-IRXDYDNUSA-N 2 0 320.546 3.874 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000516449744 338012763 /nfs/dbraw/zinc/01/27/63/338012763.db2.gz NNTLRNXFIKRZIO-NXVRBGIVSA-N 2 0 309.457 3.693 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000426314414 338026487 /nfs/dbraw/zinc/02/64/87/338026487.db2.gz XEZHBKDKIFWQQD-ZHALLVOQSA-N 2 0 302.506 3.899 20 0 DHADRP COCC(C)(C)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000426422384 338031827 /nfs/dbraw/zinc/03/18/27/338031827.db2.gz UTQVYNDOAVSZQC-QGZVFWFLSA-N 2 0 310.526 3.636 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)CC2(OC)CCC2)c1 ZINC000429517223 338082873 /nfs/dbraw/zinc/08/28/73/338082873.db2.gz GFTYNWWANVRRHH-KRWDZBQOSA-N 2 0 318.505 3.966 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000429801062 338090209 /nfs/dbraw/zinc/09/02/09/338090209.db2.gz GBLKVUCJCLQEJZ-SUMWQHHRSA-N 2 0 312.860 3.684 20 0 DHADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115040 338097622 /nfs/dbraw/zinc/09/76/22/338097622.db2.gz UMEFTRMKRHFUPO-LJQANCHMSA-N 2 0 312.413 3.600 20 0 DHADRP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000430157970 338099455 /nfs/dbraw/zinc/09/94/55/338099455.db2.gz SJPJSRBDMJYVQP-SJLPKXTDSA-N 2 0 310.526 3.824 20 0 DHADRP CCC[N@H+](Cc1ccc(Cl)c2cccnc12)C1CC[NH2+]CC1 ZINC000431072158 338121702 /nfs/dbraw/zinc/12/17/02/338121702.db2.gz XRDPLOUIPVKNGI-UHFFFAOYSA-N 2 0 317.864 3.852 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422031 338155979 /nfs/dbraw/zinc/15/59/79/338155979.db2.gz CDUVQJHGPIXKSM-QKLQHJQFSA-N 2 0 316.489 3.716 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432426514 338156240 /nfs/dbraw/zinc/15/62/40/338156240.db2.gz RWVOLQSJTYXZCC-QZTJIDSGSA-N 2 0 318.505 3.962 20 0 DHADRP c1cc(C[N@H+](Cc2ccccc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432666755 338161973 /nfs/dbraw/zinc/16/19/73/338161973.db2.gz KJQMWPAVPFFFIS-SFHVURJKSA-N 2 0 312.482 3.892 20 0 DHADRP FC(F)(F)c1ccc(CN2CCC(n3ccnc3)CC2)s1 ZINC000432744259 338165564 /nfs/dbraw/zinc/16/55/64/338165564.db2.gz GMRCBWINFGERPH-UHFFFAOYSA-N 2 0 315.364 3.801 20 0 DHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(C)CCC1 ZINC000432779993 338167458 /nfs/dbraw/zinc/16/74/58/338167458.db2.gz JGXZGEQNOSITJT-UHFFFAOYSA-N 2 0 301.478 3.810 20 0 DHADRP C[NH+](C)[C@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000432790081 338167850 /nfs/dbraw/zinc/16/78/50/338167850.db2.gz VJUWPYCVXVDCSJ-INIZCTEOSA-N 2 0 314.429 3.988 20 0 DHADRP COc1cc(C[NH+]2CCC[C@H]2C)cc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000432832529 338169937 /nfs/dbraw/zinc/16/99/37/338169937.db2.gz OWJYCCPRVIIXEG-IYBDPMFKSA-N 2 0 302.462 3.664 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCC2CCOCC2)CC1 ZINC000432863280 338171279 /nfs/dbraw/zinc/17/12/79/338171279.db2.gz ACVVXYQGMBQCMD-UHFFFAOYSA-N 2 0 310.526 3.637 20 0 DHADRP CCc1ccc([C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000433062666 338179472 /nfs/dbraw/zinc/17/94/72/338179472.db2.gz VAPXICVZGVPWIJ-WOJBJXKFSA-N 2 0 300.490 3.913 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CC(C)(C)C2)C[C@@H](C)O1 ZINC000433165114 338183647 /nfs/dbraw/zinc/18/36/47/338183647.db2.gz TVQILLCFLXYGRV-HZPDHXFCSA-N 2 0 316.489 3.574 20 0 DHADRP CCC(C)(C)CC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435738523 338247138 /nfs/dbraw/zinc/24/71/38/338247138.db2.gz RZAHFSFETFXZBB-HNNXBMFYSA-N 2 0 309.523 3.689 20 0 DHADRP c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161933719 338255512 /nfs/dbraw/zinc/25/55/12/338255512.db2.gz DYEVZTVMLLBZGA-DNVCBOLYSA-N 2 0 307.441 3.688 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436233870 338262617 /nfs/dbraw/zinc/26/26/17/338262617.db2.gz VGJMTTCYKFRHLX-AWEZNQCLSA-N 2 0 303.425 3.517 20 0 DHADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436293826 338266876 /nfs/dbraw/zinc/26/68/76/338266876.db2.gz DUQLZMQZRWOWBB-WJFTUGDTSA-N 2 0 308.510 3.577 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436414117 338271670 /nfs/dbraw/zinc/27/16/70/338271670.db2.gz QIXVLRASMFDTAW-OALUTQOASA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436471092 338273309 /nfs/dbraw/zinc/27/33/09/338273309.db2.gz QWTDBJFDKVMRPM-FOIQADDNSA-N 2 0 307.441 3.574 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450260519 338279443 /nfs/dbraw/zinc/27/94/43/338279443.db2.gz CXKPXXWHKRLRPT-MRXNPFEDSA-N 2 0 302.453 3.866 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437756026 338320171 /nfs/dbraw/zinc/32/01/71/338320171.db2.gz FTFAQVWFIVOUMS-YZGWKJHDSA-N 2 0 300.490 3.818 20 0 DHADRP Cc1ccc2cc(C[NH2+]CC3(C[NH+](C)C)CCCC3)ccc2n1 ZINC000437983171 338327368 /nfs/dbraw/zinc/32/73/68/338327368.db2.gz BIXFKTBTMCACMH-UHFFFAOYSA-N 2 0 311.473 3.755 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000438085337 338330577 /nfs/dbraw/zinc/33/05/77/338330577.db2.gz BLDCFWDLEVUGMZ-DLBZAZTESA-N 2 0 306.469 3.858 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nc(C)ccc3c2)C[C@@H]1C ZINC000438094954 338331271 /nfs/dbraw/zinc/33/12/71/338331271.db2.gz GXTSJIOBDUEGCW-LPHOPBHVSA-N 2 0 311.473 3.848 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000438117891 338333038 /nfs/dbraw/zinc/33/30/38/338333038.db2.gz MLDJSXHVJTWEJK-TYPHKJRUSA-N 2 0 312.501 3.915 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCOc2ccccc2)[C@@H](C)C1 ZINC000438116880 338333089 /nfs/dbraw/zinc/33/30/89/338333089.db2.gz KQIYQYJZIBTUFL-ICSRJNTNSA-N 2 0 318.505 3.898 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000438121379 338333428 /nfs/dbraw/zinc/33/34/28/338333428.db2.gz OUECAFGJHLUFIM-WRWLIDTKSA-N 2 0 316.464 3.878 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130942 338333850 /nfs/dbraw/zinc/33/38/50/338333850.db2.gz VLHMADZCKSJSAP-IAGOWNOFSA-N 2 0 304.453 3.737 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccccc2F)c1 ZINC000438179094 338335032 /nfs/dbraw/zinc/33/50/32/338335032.db2.gz QNHPKZBXTMGMJJ-INIZCTEOSA-N 2 0 314.448 3.998 20 0 DHADRP Cc1ccccc1CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000440323801 338385675 /nfs/dbraw/zinc/38/56/75/338385675.db2.gz IBPVDOKWASLBJW-LJQANCHMSA-N 2 0 300.490 3.591 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSc2ccc(F)cc2)[C@H](C)C1 ZINC000440698808 338395341 /nfs/dbraw/zinc/39/53/41/338395341.db2.gz WWXYNNTWCOWFEY-RHSMWYFYSA-N 2 0 310.482 3.580 20 0 DHADRP CC(C)c1ccc(CC[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446890132 338539727 /nfs/dbraw/zinc/53/97/27/338539727.db2.gz GWSJKOVBMNBJPV-UHFFFAOYSA-N 2 0 300.490 3.817 20 0 DHADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446889314 338539763 /nfs/dbraw/zinc/53/97/63/338539763.db2.gz VIXRKZXDWSNXAL-TZIWHRDSSA-N 2 0 312.501 3.862 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000447570010 338557735 /nfs/dbraw/zinc/55/77/35/338557735.db2.gz FHHQCOIOTHRYRX-GFCCVEGCSA-N 2 0 307.507 3.539 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000449103016 338593651 /nfs/dbraw/zinc/59/36/51/338593651.db2.gz NOUMVBBGGWSCIJ-INIZCTEOSA-N 2 0 312.501 3.860 20 0 DHADRP Cc1cnc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000449205187 338602288 /nfs/dbraw/zinc/60/22/88/338602288.db2.gz NILPDNFHCZPVHH-UHFFFAOYSA-N 2 0 307.507 3.584 20 0 DHADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCOC2(CCC2)C1 ZINC000449473020 338628194 /nfs/dbraw/zinc/62/81/94/338628194.db2.gz BHFSDRIMBGLVNY-QGZVFWFLSA-N 2 0 320.521 3.722 20 0 DHADRP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000455643622 338901918 /nfs/dbraw/zinc/90/19/18/338901918.db2.gz UIWIRHSRJZCAIT-HXUWFJFHSA-N 2 0 312.432 3.699 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459370540 339025122 /nfs/dbraw/zinc/02/51/22/339025122.db2.gz IVYMXSUOUHKUCB-UHFFFAOYSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459418344 339028064 /nfs/dbraw/zinc/02/80/64/339028064.db2.gz VFKNCSYWXAHDJL-IAGOWNOFSA-N 2 0 301.478 3.856 20 0 DHADRP Cc1cc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000459429257 339028714 /nfs/dbraw/zinc/02/87/14/339028714.db2.gz CLKCPSZFTBWPMC-HNNXBMFYSA-N 2 0 313.420 3.849 20 0 DHADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000459537476 339034688 /nfs/dbraw/zinc/03/46/88/339034688.db2.gz YDSFFNRNFRFLED-IKGGRYGDSA-N 2 0 301.478 3.712 20 0 DHADRP CC1(C)CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459563405 339036051 /nfs/dbraw/zinc/03/60/51/339036051.db2.gz QFCMZPKGMDOUCP-INIZCTEOSA-N 2 0 301.478 3.856 20 0 DHADRP Fc1cc(F)cc(C2CC([NH2+]Cc3ccc4c[nH+]cn4c3)C2)c1 ZINC000459656784 339040854 /nfs/dbraw/zinc/04/08/54/339040854.db2.gz GWTRKYPPHPVQCV-UHFFFAOYSA-N 2 0 313.351 3.648 20 0 DHADRP Oc1ccc(C2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000459658559 339041144 /nfs/dbraw/zinc/04/11/44/339041144.db2.gz KXQLGLVWXKSHRV-UHFFFAOYSA-N 2 0 321.424 3.856 20 0 DHADRP Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)ccc1C[NH+](C)C ZINC000459757462 339046642 /nfs/dbraw/zinc/04/66/42/339046642.db2.gz KYFYAOZRTMCGIH-UHFFFAOYSA-N 2 0 303.494 3.731 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCCCCOc2ccccc2)C1 ZINC000459796668 339049085 /nfs/dbraw/zinc/04/90/85/339049085.db2.gz WDSNVOSILFJEAK-SFHVURJKSA-N 2 0 304.478 3.557 20 0 DHADRP Cc1nccn1CC[N@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460966511 339056130 /nfs/dbraw/zinc/05/61/30/339056130.db2.gz IMKZOBQOPPXPMU-LJQANCHMSA-N 2 0 311.473 3.880 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750237 339086682 /nfs/dbraw/zinc/08/66/82/339086682.db2.gz NBQMLBJFKPVJDE-IRXDYDNUSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CCCCC1 ZINC000462791491 339088977 /nfs/dbraw/zinc/08/89/77/339088977.db2.gz LHZPCVBKXIKIQO-GUDVDZBRSA-N 2 0 322.537 3.826 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000464060403 339132393 /nfs/dbraw/zinc/13/23/93/339132393.db2.gz BVOYMBORCBBFEZ-CEXWTWQISA-N 2 0 310.526 3.683 20 0 DHADRP Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)c2ccccc2[nH+]1 ZINC000466442953 339205140 /nfs/dbraw/zinc/20/51/40/339205140.db2.gz YWSGYKLTLJTRCC-UHFFFAOYSA-N 2 0 319.452 3.681 20 0 DHADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000466747342 339215588 /nfs/dbraw/zinc/21/55/88/339215588.db2.gz HXZMBZIRTDARDS-UHFFFAOYSA-N 2 0 322.537 3.704 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000467309557 339231010 /nfs/dbraw/zinc/23/10/10/339231010.db2.gz RBXHXNRHGDQIQM-MJGOQNOKSA-N 2 0 315.505 3.880 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000467389281 339236245 /nfs/dbraw/zinc/23/62/45/339236245.db2.gz PYRKHRSPQFWQLA-SFHVURJKSA-N 2 0 320.452 3.533 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000468041048 339252198 /nfs/dbraw/zinc/25/21/98/339252198.db2.gz SFAVKFLQRONAQQ-GUTXKFCHSA-N 2 0 306.416 3.960 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000468041050 339252328 /nfs/dbraw/zinc/25/23/28/339252328.db2.gz SFAVKFLQRONAQQ-NFAWXSAZSA-N 2 0 306.416 3.960 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000468995720 339277095 /nfs/dbraw/zinc/27/70/95/339277095.db2.gz ODXOPDQIZVFUAE-RHSMWYFYSA-N 2 0 308.897 3.938 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469468122 339290591 /nfs/dbraw/zinc/29/05/91/339290591.db2.gz GCMRJRSUKVALDP-KRWDZBQOSA-N 2 0 322.443 3.704 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCC(C)C)cc2)CC1 ZINC000469855393 339302778 /nfs/dbraw/zinc/30/27/78/339302778.db2.gz PTDVOCIWZJDVFA-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000470016146 339308650 /nfs/dbraw/zinc/30/86/50/339308650.db2.gz SHYGQWFFCQOZMI-UHFFFAOYSA-N 2 0 318.461 3.986 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000470022483 339308991 /nfs/dbraw/zinc/30/89/91/339308991.db2.gz MNKSCQPAJAUJPK-AWEZNQCLSA-N 2 0 300.471 3.974 20 0 DHADRP C[C@H](C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1)CC1CCCCC1 ZINC000472151847 339364546 /nfs/dbraw/zinc/36/45/46/339364546.db2.gz FTCIJPPWLKLLEK-SFHVURJKSA-N 2 0 323.569 3.599 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000472730902 339376741 /nfs/dbraw/zinc/37/67/41/339376741.db2.gz KQQHLHWAEGWYJH-LJQANCHMSA-N 2 0 316.489 3.652 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000473120197 339381299 /nfs/dbraw/zinc/38/12/99/339381299.db2.gz FWKMKVFLKPAYBZ-UHFFFAOYSA-N 2 0 322.468 3.865 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474037283 339398270 /nfs/dbraw/zinc/39/82/70/339398270.db2.gz QAYWTRYTJPTKBB-LJQANCHMSA-N 2 0 316.489 3.882 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000474039300 339398372 /nfs/dbraw/zinc/39/83/72/339398372.db2.gz SSVOAYPGZPRDKF-LSDHHAIUSA-N 2 0 302.453 3.910 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000474039298 339398436 /nfs/dbraw/zinc/39/84/36/339398436.db2.gz SSVOAYPGZPRDKF-HUUCEWRRSA-N 2 0 302.453 3.910 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474044234 339398809 /nfs/dbraw/zinc/39/88/09/339398809.db2.gz LJCSFCMBWDWUQE-CQSZACIVSA-N 2 0 302.453 3.910 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCCCC1 ZINC000474470875 339416012 /nfs/dbraw/zinc/41/60/12/339416012.db2.gz MPKVSTPQYUJFIA-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000474797804 339426612 /nfs/dbraw/zinc/42/66/12/339426612.db2.gz AAUQNVNIAFVJLE-OALUTQOASA-N 2 0 310.526 3.539 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000474811252 339427542 /nfs/dbraw/zinc/42/75/42/339427542.db2.gz NXFKAMLNLDCAHC-YNIZLOQISA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000475197241 339441121 /nfs/dbraw/zinc/44/11/21/339441121.db2.gz XQETYVHOAWSHBY-FQEVSTJZSA-N 2 0 300.490 3.890 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000475208087 339441696 /nfs/dbraw/zinc/44/16/96/339441696.db2.gz IKRIWWKCFZBOGP-IAGOWNOFSA-N 2 0 318.505 3.899 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000479532548 339539701 /nfs/dbraw/zinc/53/97/01/339539701.db2.gz QBZRGRRIHNWRNG-IXDOHACOSA-N 2 0 304.478 3.714 20 0 DHADRP CCC(CC)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000480526483 339575998 /nfs/dbraw/zinc/57/59/98/339575998.db2.gz ICYUNWZHEMIMQF-FQEVSTJZSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC000480671140 339582516 /nfs/dbraw/zinc/58/25/16/339582516.db2.gz QUUQBHAILREPJY-VNHYZAJKSA-N 2 0 306.416 3.818 20 0 DHADRP CCc1cc(NC2CC([NH+]3CCCCC3)C2)c2ccccc2[nH+]1 ZINC000480848814 339588750 /nfs/dbraw/zinc/58/87/50/339588750.db2.gz VFRPOSIOLSIOJI-UHFFFAOYSA-N 2 0 309.457 3.648 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C1CC1 ZINC000481713923 339610681 /nfs/dbraw/zinc/61/06/81/339610681.db2.gz FEZCCLLNMZBCIX-HXUWFJFHSA-N 2 0 316.489 3.577 20 0 DHADRP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000481731232 339611655 /nfs/dbraw/zinc/61/16/55/339611655.db2.gz CEUWCRDXRVSXLB-HXUWFJFHSA-N 2 0 316.489 3.577 20 0 DHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(C)C)CC1 ZINC000482557267 339636032 /nfs/dbraw/zinc/63/60/32/339636032.db2.gz KAJRUPZYLHCEGC-JKSUJKDBSA-N 2 0 321.484 3.663 20 0 DHADRP CCC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CCC1 ZINC000484273816 339683543 /nfs/dbraw/zinc/68/35/43/339683543.db2.gz CMDHTPBCBWVVDE-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000484313106 339684763 /nfs/dbraw/zinc/68/47/63/339684763.db2.gz UBVLKGUJJSCFQR-MSOLQXFVSA-N 2 0 306.494 3.619 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486709882 339732056 /nfs/dbraw/zinc/73/20/56/339732056.db2.gz SHAPLHKTNCADSL-CQSZACIVSA-N 2 0 305.441 3.907 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CS1 ZINC000488408520 339780209 /nfs/dbraw/zinc/78/02/09/339780209.db2.gz PMLYRNFAEMOQFN-OALUTQOASA-N 2 0 318.530 3.902 20 0 DHADRP C[C@H]1C[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000488472656 339784554 /nfs/dbraw/zinc/78/45/54/339784554.db2.gz XFCDGUHBKJFEPA-WMLDXEAASA-N 2 0 306.881 3.798 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000494107183 339941256 /nfs/dbraw/zinc/94/12/56/339941256.db2.gz LRHMEIXIVRLWKT-UHFFFAOYSA-N 2 0 317.502 3.816 20 0 DHADRP Cc1cscc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000494497425 339951558 /nfs/dbraw/zinc/95/15/58/339951558.db2.gz RTOFCOHCENFYPC-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000500428110 340058313 /nfs/dbraw/zinc/05/83/13/340058313.db2.gz JLSGNARJUKEPEU-KRWDZBQOSA-N 2 0 318.505 3.715 20 0 DHADRP C[C@@H](c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501042610 340072988 /nfs/dbraw/zinc/07/29/88/340072988.db2.gz BRMGADKZLONMCT-KRWDZBQOSA-N 2 0 309.457 3.991 20 0 DHADRP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)SC1CCCCC1 ZINC000501155929 340075249 /nfs/dbraw/zinc/07/52/49/340075249.db2.gz XASVREBTAAFVSH-UHFFFAOYSA-N 2 0 310.551 3.860 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000501375483 340079389 /nfs/dbraw/zinc/07/93/89/340079389.db2.gz BNVCCHQAFBZDJI-ZWKOTPCHSA-N 2 0 318.505 3.964 20 0 DHADRP COc1ccc2cc(C[N@H+](C)CC[C@H]3CCC[NH+]3C)ccc2c1 ZINC000502694918 340110985 /nfs/dbraw/zinc/11/09/85/340110985.db2.gz UJBDKYGLVFMFIO-LJQANCHMSA-N 2 0 312.457 3.765 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000503033665 340119246 /nfs/dbraw/zinc/11/92/46/340119246.db2.gz JCOGSDAZJVBMEQ-TZIWHRDSSA-N 2 0 324.468 3.520 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000503953936 340138503 /nfs/dbraw/zinc/13/85/03/340138503.db2.gz WQLDATOJNZOPQC-UHFFFAOYSA-N 2 0 318.358 3.666 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCS2 ZINC000400921707 340157716 /nfs/dbraw/zinc/15/77/16/340157716.db2.gz JXUGZZVQOQEJQB-FAXLKDOZSA-N 2 0 322.905 3.855 20 0 DHADRP c1ccc(C([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000401059365 340161636 /nfs/dbraw/zinc/16/16/36/340161636.db2.gz IYRWOFMSHMQTHY-SLFFLAALSA-N 2 0 306.453 3.754 20 0 DHADRP c1csc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CCCC2)c1 ZINC000401071347 340162050 /nfs/dbraw/zinc/16/20/50/340162050.db2.gz AUSKHGRKMFUBIJ-YFHUEUNASA-N 2 0 304.503 3.957 20 0 DHADRP COc1ccc2cc(C[NH+]3CCC(C[NH+](C)C)CC3)ccc2c1 ZINC000506865085 340203124 /nfs/dbraw/zinc/20/31/24/340203124.db2.gz CXLGQOKHDMJYHX-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000507452723 340220285 /nfs/dbraw/zinc/22/02/85/340220285.db2.gz XZFPWPIDSKWWIH-OALUTQOASA-N 2 0 300.490 3.953 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000507722615 340229657 /nfs/dbraw/zinc/22/96/57/340229657.db2.gz JZGYZCVQPDVMQG-UHFFFAOYSA-N 2 0 316.489 3.740 20 0 DHADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CCO1 ZINC000507808848 340232536 /nfs/dbraw/zinc/23/25/36/340232536.db2.gz WVEZRSLTVCKOPQ-UAFMIMERSA-N 2 0 322.537 3.778 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510652513 340305185 /nfs/dbraw/zinc/30/51/85/340305185.db2.gz PDQPPFTXUVBVOF-HNNXBMFYSA-N 2 0 324.459 3.998 20 0 DHADRP C[C@H](C[NH2+][C@H](C)CCc1c(F)cccc1F)C[NH+]1CCCC1 ZINC000510674534 340306114 /nfs/dbraw/zinc/30/61/14/340306114.db2.gz ISVPXVGXXXHBOL-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510675970 340306245 /nfs/dbraw/zinc/30/62/45/340306245.db2.gz RKRZUBQOTGMFRU-SJLPKXTDSA-N 2 0 322.468 3.635 20 0 DHADRP COCC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC000510960634 340316353 /nfs/dbraw/zinc/31/63/53/340316353.db2.gz RRYAYOROKZCMHZ-MOPGFXCFSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000511510461 340329168 /nfs/dbraw/zinc/32/91/68/340329168.db2.gz VHBCHRQHVJBKHJ-UHFFFAOYSA-N 2 0 318.505 3.885 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512053009 340346826 /nfs/dbraw/zinc/34/68/26/340346826.db2.gz PHLHVFKIEOKYBV-ARJAWSKDSA-N 2 0 308.416 3.688 20 0 DHADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C[C@H]1OC ZINC000512318383 340356832 /nfs/dbraw/zinc/35/68/32/340356832.db2.gz OTVRSSKTEZWGOS-UKBAYJJMSA-N 2 0 322.537 3.823 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000512382299 340359752 /nfs/dbraw/zinc/35/97/52/340359752.db2.gz DLLBRZKCNHFZHT-UHFFFAOYSA-N 2 0 322.452 3.714 20 0 DHADRP CSCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512632171 340370042 /nfs/dbraw/zinc/37/00/42/340370042.db2.gz XSIBSNZBYQHDDP-CEXWTWQISA-N 2 0 318.530 3.630 20 0 DHADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512630517 340370086 /nfs/dbraw/zinc/37/00/86/340370086.db2.gz MZJWCZUYWCDCQK-OQIJWPOYSA-N 2 0 318.530 3.628 20 0 DHADRP CC(C)COc1ccccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513162157 340395415 /nfs/dbraw/zinc/39/54/15/340395415.db2.gz WQMSYSKATIBNIL-DFNIBXOVSA-N 2 0 316.489 3.778 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000513207653 340397275 /nfs/dbraw/zinc/39/72/75/340397275.db2.gz CWLXIYUYQGLDEY-IEBWSBKVSA-N 2 0 322.537 3.704 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513238250 340398911 /nfs/dbraw/zinc/39/89/11/340398911.db2.gz KQQVDVVAXPWOBM-SXLOBPIMSA-N 2 0 324.553 3.806 20 0 DHADRP CCOc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123622348 340792809 /nfs/dbraw/zinc/79/28/09/340792809.db2.gz FMOSFVHQBWPNKE-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000537971955 340794593 /nfs/dbraw/zinc/79/45/93/340794593.db2.gz ODNGHNJMUBWZFZ-FHWLQOOXSA-N 2 0 318.505 3.843 20 0 DHADRP CCC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000125303757 340803425 /nfs/dbraw/zinc/80/34/25/340803425.db2.gz VFWAUBPWOTVCDJ-LJQANCHMSA-N 2 0 304.478 3.858 20 0 DHADRP CC[C@H]([NH2+]CC1(C[NH2+][C@@H](CC)C(C)(C)C)COC1)C(C)(C)C ZINC000542967464 341027455 /nfs/dbraw/zinc/02/74/55/341027455.db2.gz MSCYCBWJTWOYHW-HOTGVXAUSA-N 2 0 312.542 3.832 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000543396999 341042073 /nfs/dbraw/zinc/04/20/73/341042073.db2.gz SGUYUXFBOFGVQH-KRWDZBQOSA-N 2 0 312.461 3.834 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000543597987 341050237 /nfs/dbraw/zinc/05/02/37/341050237.db2.gz NTSQWGYNEHOLHO-QGZVFWFLSA-N 2 0 314.473 3.849 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131210292 341065788 /nfs/dbraw/zinc/06/57/88/341065788.db2.gz NUPSUPCZHVAXMH-IRXDYDNUSA-N 2 0 318.505 3.897 20 0 DHADRP CC(C)c1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000236649214 341192149 /nfs/dbraw/zinc/19/21/49/341192149.db2.gz VFSPUSXODHZQRN-HDICACEKSA-N 2 0 318.505 3.789 20 0 DHADRP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564317717 341207154 /nfs/dbraw/zinc/20/71/54/341207154.db2.gz OBJGOONCUXLAET-UWWQBHOKSA-N 2 0 302.462 3.567 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547831390 341236147 /nfs/dbraw/zinc/23/61/47/341236147.db2.gz WTGJOVIUMFBMBV-WDSOQIARSA-N 2 0 318.530 3.772 20 0 DHADRP Fc1ccc(CCCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000548158189 341250123 /nfs/dbraw/zinc/25/01/23/341250123.db2.gz GYGSNENYFOAMOH-UHFFFAOYSA-N 2 0 322.443 3.752 20 0 DHADRP CC[C@@H](COC)[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000548194436 341252582 /nfs/dbraw/zinc/25/25/82/341252582.db2.gz YUSASALKKBSQNL-IBGZPJMESA-N 2 0 318.505 3.693 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261539897 341282073 /nfs/dbraw/zinc/28/20/73/341282073.db2.gz DHLZCPCPUDBTOZ-OALUTQOASA-N 2 0 310.441 3.625 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCSCc3ccccc3)CC[C@H]21 ZINC000245588633 341303848 /nfs/dbraw/zinc/30/38/48/341303848.db2.gz NWWOHUJTNQOUOR-RBUKOAKNSA-N 2 0 318.530 3.726 20 0 DHADRP F[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000549935838 341307350 /nfs/dbraw/zinc/30/73/50/341307350.db2.gz FJCDOMLPYAAGHC-DLBZAZTESA-N 2 0 310.844 3.785 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000245700141 341310471 /nfs/dbraw/zinc/31/04/71/341310471.db2.gz UPFQUKKYLQBDDG-LMMKCTJWSA-N 2 0 318.530 3.973 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1N(C)C ZINC000550883540 341325494 /nfs/dbraw/zinc/32/54/94/341325494.db2.gz WVMYNTAGINRLSX-MRXNPFEDSA-N 2 0 321.484 3.808 20 0 DHADRP Fc1ccccc1C1CC([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000550886959 341325651 /nfs/dbraw/zinc/32/56/51/341325651.db2.gz UDZABKQTSTWQFW-UHFFFAOYSA-N 2 0 304.453 3.927 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCC23CCCC3)C[C@@H](C)O1 ZINC000551014703 341329340 /nfs/dbraw/zinc/32/93/40/341329340.db2.gz XGGSYJBJHDAWGM-KURKYZTESA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)c1ccncc1F ZINC000551064397 341330609 /nfs/dbraw/zinc/33/06/09/341330609.db2.gz ZRCSHOXHAAPFTC-RVKKMQEKSA-N 2 0 307.457 3.772 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246439824 341348887 /nfs/dbraw/zinc/34/88/87/341348887.db2.gz OMSJOCFEYGPDNJ-DSLXNQLJSA-N 2 0 310.526 3.559 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC(F)F)cc1 ZINC000246981422 341359435 /nfs/dbraw/zinc/35/94/35/341359435.db2.gz IWFPDCOFQGPQTN-AEGPPILISA-N 2 0 312.404 3.811 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000247245637 341362686 /nfs/dbraw/zinc/36/26/86/341362686.db2.gz UBTDJURMYJCJHB-XJKSGUPXSA-N 2 0 314.395 3.868 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1F ZINC000552044665 341364590 /nfs/dbraw/zinc/36/45/90/341364590.db2.gz JUHVJYACBSJVQQ-DGCUDZEOSA-N 2 0 308.416 3.531 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000552046618 341364803 /nfs/dbraw/zinc/36/48/03/341364803.db2.gz MOCKPKQPKKBLRJ-SLFFLAALSA-N 2 0 300.490 3.575 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552063654 341366550 /nfs/dbraw/zinc/36/65/50/341366550.db2.gz HIJHRDDQSYFQNM-PMACEKPBSA-N 2 0 316.489 3.684 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000248386610 341376168 /nfs/dbraw/zinc/37/61/68/341376168.db2.gz NEBGPWNETPNFTB-LPHOPBHVSA-N 2 0 304.453 3.707 20 0 DHADRP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552225208 341379459 /nfs/dbraw/zinc/37/94/59/341379459.db2.gz DLUQLWHBEMPNLF-ZCNNSNEGSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249173727 341394822 /nfs/dbraw/zinc/39/48/22/341394822.db2.gz DBMPGDSBYNQFKZ-AFKBCAQJSA-N 2 0 300.490 3.716 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249269282 341395718 /nfs/dbraw/zinc/39/57/18/341395718.db2.gz JRGRBHRGJYDKEF-ILXRZTDVSA-N 2 0 306.416 3.818 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000249383602 341396851 /nfs/dbraw/zinc/39/68/51/341396851.db2.gz WEGJPOKDVHOVIV-DOMZBBRYSA-N 2 0 310.894 3.808 20 0 DHADRP CC(C)c1nc(C[NH2+]C(C)(C)CCC[NH+](C)C)c2ccccn21 ZINC000565084273 341516708 /nfs/dbraw/zinc/51/67/08/341516708.db2.gz VHOMVEWYDWADTL-UHFFFAOYSA-N 2 0 316.493 3.668 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000272534461 341628874 /nfs/dbraw/zinc/62/88/74/341628874.db2.gz JPGFMWSLMQXGOI-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000568249333 341661052 /nfs/dbraw/zinc/66/10/52/341661052.db2.gz NRMMCZQIHKBGEW-MSOLQXFVSA-N 2 0 314.498 3.933 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000569199921 341693887 /nfs/dbraw/zinc/69/38/87/341693887.db2.gz ARCXAJZKJHPTQT-RISCZKNCSA-N 2 0 321.877 3.681 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1 ZINC000572841965 341706222 /nfs/dbraw/zinc/70/62/22/341706222.db2.gz KZTQUCYCRMWCLT-UHFFFAOYSA-N 2 0 312.310 3.593 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)c2cccc(Br)c21 ZINC000572951346 341710802 /nfs/dbraw/zinc/71/08/02/341710802.db2.gz FYUVKIBJKWCCIS-NHYWBVRUSA-N 2 0 323.278 3.587 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000166048633 341715584 /nfs/dbraw/zinc/71/55/84/341715584.db2.gz IVQSVGLRDRXRSM-STQMWFEESA-N 2 0 318.914 3.799 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000573338601 341725386 /nfs/dbraw/zinc/72/53/86/341725386.db2.gz SMEHOWVPGNZFDI-ROUUACIJSA-N 2 0 310.441 3.592 20 0 DHADRP Cc1ccc(-c2ncc(C[NH+]3CCC(CC[NH3+])CC3)s2)cc1 ZINC000574330241 341755518 /nfs/dbraw/zinc/75/55/18/341755518.db2.gz OHAOCNPMTNAYKS-UHFFFAOYSA-N 2 0 315.486 3.679 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000347005132 341920135 /nfs/dbraw/zinc/92/01/35/341920135.db2.gz BCKWYSDVYHPRAJ-QGZVFWFLSA-N 2 0 324.468 3.825 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1F ZINC000577634595 341926057 /nfs/dbraw/zinc/92/60/57/341926057.db2.gz XFBXJUZNOMWJIZ-GFCCVEGCSA-N 2 0 304.434 3.857 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000178040861 341942049 /nfs/dbraw/zinc/94/20/49/341942049.db2.gz XVYOKSSALSEFCH-KURKYZTESA-N 2 0 304.478 3.535 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000178216315 341949484 /nfs/dbraw/zinc/94/94/84/341949484.db2.gz ZXCCPLGBJQWCAP-UHFFFAOYSA-N 2 0 306.416 3.818 20 0 DHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000157546572 519796348 /nfs/dbraw/zinc/79/63/48/519796348.db2.gz MRLJCYAOALRNIX-INIZCTEOSA-N 2 0 305.853 3.693 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCSc3ccc(OC)cc32)C1 ZINC000191500247 519863979 /nfs/dbraw/zinc/86/39/79/519863979.db2.gz RFISHWVKJOEDRX-RHSMWYFYSA-N 2 0 320.502 3.554 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000337125340 520586854 /nfs/dbraw/zinc/58/68/54/520586854.db2.gz DVVCZHVSGQTKCI-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP COC1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000367635742 522628221 /nfs/dbraw/zinc/62/82/21/522628221.db2.gz LIXAYAYOKPUJFW-UHFFFAOYSA-N 2 0 316.489 3.588 20 0 DHADRP C[N@H+](CCC[NH2+]C1CCC2(CCCO2)CC1)Cc1ccccc1 ZINC000364799639 522770198 /nfs/dbraw/zinc/77/01/98/522770198.db2.gz MJEIGZXRKGXKPB-UHFFFAOYSA-N 2 0 316.489 3.590 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(Cl)cc1 ZINC000159221625 522810953 /nfs/dbraw/zinc/81/09/53/522810953.db2.gz JYWSWAQRRSJELI-GOSISDBHSA-N 2 0 324.896 3.882 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389411 523848297 /nfs/dbraw/zinc/84/82/97/523848297.db2.gz RYMSUCVHGBZHLP-KBPBESRZSA-N 2 0 304.400 3.525 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000265154184 524052943 /nfs/dbraw/zinc/05/29/43/524052943.db2.gz CJVDBRJSBSIANE-UHFFFAOYSA-N 2 0 308.372 3.656 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337340780 524107917 /nfs/dbraw/zinc/10/79/17/524107917.db2.gz PSJSPMZXRNUXAV-WSTZPKSXSA-N 2 0 315.505 3.962 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190842332 524203989 /nfs/dbraw/zinc/20/39/89/524203989.db2.gz NDOYJUFBSRXWCM-HZPDHXFCSA-N 2 0 312.379 3.730 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339503646 524325326 /nfs/dbraw/zinc/32/53/26/524325326.db2.gz FUGGKOPRNXYGGS-LUAWRHEFSA-N 2 0 302.462 3.564 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccnc3)CC2)cc1 ZINC000112545179 524438320 /nfs/dbraw/zinc/43/83/20/524438320.db2.gz KZXWOPLKLZMTNG-SFHVURJKSA-N 2 0 323.484 3.953 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C[NH+]1CCCCC1 ZINC000337330096 524503811 /nfs/dbraw/zinc/50/38/11/524503811.db2.gz GEPWHLPBAKLLNU-GGPKGHCWSA-N 2 0 315.505 3.819 20 0 DHADRP C[C@H](Cc1ccncc1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000337316711 524757888 /nfs/dbraw/zinc/75/78/88/524757888.db2.gz KSGZQGMTYNLAIN-OPYAIIAOSA-N 2 0 323.484 3.513 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1F ZINC000127090276 525434812 /nfs/dbraw/zinc/43/48/12/525434812.db2.gz MCSMVUWIUWVWKU-LLVKDONJSA-N 2 0 317.246 3.581 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccs1 ZINC000162556791 525457973 /nfs/dbraw/zinc/45/79/73/525457973.db2.gz NPLJVGQIEWDDCK-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101882 525535233 /nfs/dbraw/zinc/53/52/33/525535233.db2.gz OVQZWVFQBYZINQ-NVXWUHKLSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000164178425 525538478 /nfs/dbraw/zinc/53/84/78/525538478.db2.gz OGZWTPKOQHOHBW-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH+](C)CC1)CCS2 ZINC000191510676 525586734 /nfs/dbraw/zinc/58/67/34/525586734.db2.gz CFWHHQSKYMPQLZ-QGZVFWFLSA-N 2 0 320.502 3.554 20 0 DHADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162560941 525867965 /nfs/dbraw/zinc/86/79/65/525867965.db2.gz GCMFGLJLJRJDMC-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000162506387 525869068 /nfs/dbraw/zinc/86/90/68/525869068.db2.gz JVHDMPMZKHPFCQ-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP Fc1ccc2nc(C[NH2+]CCCCC[NH+]3CCCC3)sc2c1 ZINC000339508248 526378577 /nfs/dbraw/zinc/37/85/77/526378577.db2.gz SWCXTVXBXNLYSK-UHFFFAOYSA-N 2 0 321.465 3.791 20 0 DHADRP c1cncc([C@H]2CCC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000337272165 526550746 /nfs/dbraw/zinc/55/07/46/526550746.db2.gz CANWFUXHMDXYAU-YUKKFIBKSA-N 2 0 313.489 3.714 20 0 DHADRP COc1ccc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc2c1 ZINC000299366716 537034450 /nfs/dbraw/zinc/03/44/50/537034450.db2.gz XOJXOCAKBVJTHV-UHFFFAOYSA-N 2 0 324.468 3.955 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649363 1013206109 /nfs/dbraw/zinc/20/61/09/1013206109.db2.gz KUQGXZZMFQPLSD-CHWSQXEVSA-N 2 0 323.278 3.584 20 0 DHADRP C[NH+](C)CCOCC[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000518896533 1013241926 /nfs/dbraw/zinc/24/19/26/1013241926.db2.gz OAKIJJGLIFDZRB-SFHVURJKSA-N 2 0 318.461 3.688 20 0 DHADRP c1cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)ccc2o1 ZINC001167965887 1013281698 /nfs/dbraw/zinc/28/16/98/1013281698.db2.gz PHRPVIWJEWWTEB-YQQQUEKLSA-N 2 0 310.441 3.928 20 0 DHADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(Cl)c1 ZINC000519164632 1013285876 /nfs/dbraw/zinc/28/58/76/1013285876.db2.gz PPJXGXYXLLRGKS-UHFFFAOYSA-N 2 0 302.849 4.000 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC000093638904 1013320347 /nfs/dbraw/zinc/32/03/47/1013320347.db2.gz UGYAJYXRHHGMNL-PBHICJAKSA-N 2 0 316.445 3.604 20 0 DHADRP CCSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398109751 1013352665 /nfs/dbraw/zinc/35/26/65/1013352665.db2.gz NMYUEDPPNYGIQK-SJLPKXTDSA-N 2 0 306.519 3.630 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(F)cc1C ZINC000894455593 1013374826 /nfs/dbraw/zinc/37/48/26/1013374826.db2.gz GATUUCRTGOKZFG-UHFFFAOYSA-N 2 0 315.436 3.613 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000579895801 1013385898 /nfs/dbraw/zinc/38/58/98/1013385898.db2.gz OXZVOIREQQJALG-HNNXBMFYSA-N 2 0 319.880 3.568 20 0 DHADRP C[NH+](C)[C@@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894565386 1013419948 /nfs/dbraw/zinc/41/99/48/1013419948.db2.gz FZTKEYGHIPBFOB-CYBMUJFWSA-N 2 0 323.893 3.866 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CS1 ZINC000655697917 1013649883 /nfs/dbraw/zinc/64/98/83/1013649883.db2.gz RYQPJMNEVBUNSY-CRAIPNDOSA-N 2 0 304.503 3.656 20 0 DHADRP Cc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(C)c1F ZINC001143377620 1013682136 /nfs/dbraw/zinc/68/21/36/1013682136.db2.gz BVJXYSIORYXYHY-UHFFFAOYSA-N 2 0 306.469 3.995 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805234 1013722865 /nfs/dbraw/zinc/72/28/65/1013722865.db2.gz LIDOHNRPYQCWSR-JZXOWHBKSA-N 2 0 306.519 3.733 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)cc(Cl)c1 ZINC000655806209 1013728192 /nfs/dbraw/zinc/72/81/92/1013728192.db2.gz RIBRYECSPCQKSV-ZIBATOQPSA-N 2 0 301.261 3.984 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCS2 ZINC000655805946 1013728208 /nfs/dbraw/zinc/72/82/08/1013728208.db2.gz VANPEUUSADCZGB-JKIFEVAISA-N 2 0 320.502 3.552 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000655805024 1013723241 /nfs/dbraw/zinc/72/32/41/1013723241.db2.gz IOSODCBFXRKUSY-VPWXQRGCSA-N 2 0 316.489 3.856 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000655806656 1013725033 /nfs/dbraw/zinc/72/50/33/1013725033.db2.gz YXOYLPPJMQSAHQ-JMSVASOKSA-N 2 0 300.368 3.696 20 0 DHADRP CN(CCOc1ccccc1Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000441374251 1013727670 /nfs/dbraw/zinc/72/76/70/1013727670.db2.gz VAEFEWQIQKSZMO-OAHLLOKOSA-N 2 0 310.869 3.525 20 0 DHADRP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655825239 1013746025 /nfs/dbraw/zinc/74/60/25/1013746025.db2.gz AGTYSQSNYOVEPX-RVWIWJKTSA-N 2 0 323.484 3.884 20 0 DHADRP FC1(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC001210266540 1013746498 /nfs/dbraw/zinc/74/64/98/1013746498.db2.gz HGHRLWWTLUQYFU-UHFFFAOYSA-N 2 0 310.844 3.611 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@@H]1CCCCO1 ZINC000655849060 1013779367 /nfs/dbraw/zinc/77/93/67/1013779367.db2.gz MEEPDWODHKIFHE-MDNKFWRPSA-N 2 0 322.537 3.967 20 0 DHADRP CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000340439782 1013793084 /nfs/dbraw/zinc/79/30/84/1013793084.db2.gz DICUWMYKHSQPAN-CYBMUJFWSA-N 2 0 310.401 3.582 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000340459769 1013817295 /nfs/dbraw/zinc/81/72/95/1013817295.db2.gz DGLDZVWFAVXDTM-LJQANCHMSA-N 2 0 316.489 3.871 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)cc1 ZINC000340459718 1013817933 /nfs/dbraw/zinc/81/79/33/1013817933.db2.gz CMBHZMITHCIMSS-QFBILLFUSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@]1(C)CCCO1 ZINC000340466106 1013828975 /nfs/dbraw/zinc/82/89/75/1013828975.db2.gz YIQAMOCBWFYWDK-QAPCUYQASA-N 2 0 322.518 3.507 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340471210 1013838267 /nfs/dbraw/zinc/83/82/67/1013838267.db2.gz SYIJRHYKDWZXQK-OWCLPIDISA-N 2 0 307.457 3.629 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(C)(C)C ZINC000340477759 1013859999 /nfs/dbraw/zinc/85/99/99/1013859999.db2.gz HQRIUQOEZLRHJX-WMZOPIPTSA-N 2 0 304.478 3.726 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000340478512 1013860581 /nfs/dbraw/zinc/86/05/81/1013860581.db2.gz RFAJKWKGVKULDI-INIZCTEOSA-N 2 0 317.477 3.562 20 0 DHADRP Cc1ccccc1OCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441449780 1013889259 /nfs/dbraw/zinc/88/92/59/1013889259.db2.gz RCWQCYOBFYKIIN-LJQANCHMSA-N 2 0 316.489 3.572 20 0 DHADRP C[C@@H]1C[C@@H](C)CN(CC[NH2+]C(C)(C)CCc2ccccc2)C1 ZINC001167326346 1013885215 /nfs/dbraw/zinc/88/52/15/1013885215.db2.gz KWGOBJWWTGPSMZ-QZTJIDSGSA-N 2 0 302.506 3.965 20 0 DHADRP c1cc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2cn1 ZINC000683831291 1014052782 /nfs/dbraw/zinc/05/27/82/1014052782.db2.gz QLXMMDSJMYZNAR-HXUWFJFHSA-N 2 0 309.457 3.685 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000564583872 1014047659 /nfs/dbraw/zinc/04/76/59/1014047659.db2.gz CMTMGFXLOPBRGA-HONMWMINSA-N 2 0 301.261 3.784 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001168298282 1032080529 /nfs/dbraw/zinc/08/05/29/1032080529.db2.gz KAWIFJJXYQQDPH-UHFFFAOYSA-N 2 0 318.358 3.807 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000656200617 1014106160 /nfs/dbraw/zinc/10/61/60/1014106160.db2.gz BGXAAWZWVCIGRP-RYUDHWBXSA-N 2 0 311.420 3.713 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782184292 1014128130 /nfs/dbraw/zinc/12/81/30/1014128130.db2.gz CGMSBWSSZRVPGC-KDOFPFPSSA-N 2 0 306.881 3.991 20 0 DHADRP Clc1ccccc1CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466129 1014173030 /nfs/dbraw/zinc/17/30/30/1014173030.db2.gz BZXOLEDHLKHNQQ-INIZCTEOSA-N 2 0 306.881 3.690 20 0 DHADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475283054 1014177929 /nfs/dbraw/zinc/17/79/29/1014177929.db2.gz SSRMNIQKGXYFKA-ZBFHGGJFSA-N 2 0 314.395 3.829 20 0 DHADRP CCCC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)C1CCC1 ZINC000656261019 1014248443 /nfs/dbraw/zinc/24/84/43/1014248443.db2.gz BXNITPAUBZCBEY-RTBURBONSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C[C@H](C)O1 ZINC001167424367 1014254337 /nfs/dbraw/zinc/25/43/37/1014254337.db2.gz HSKWCKQQXXLHCD-CENDIDJXSA-N 2 0 322.537 3.776 20 0 DHADRP C[C@H]1Cc2ccccc2C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002924 1014342948 /nfs/dbraw/zinc/34/29/48/1014342948.db2.gz FKBCRFULEHVWDX-ODMLGRRDSA-N 2 0 310.485 3.839 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH+]1CCCC1)CCS2 ZINC000427598991 1014349880 /nfs/dbraw/zinc/34/98/80/1014349880.db2.gz KSGRUVCIQDGFCB-QGZVFWFLSA-N 2 0 304.503 3.916 20 0 DHADRP C[C@H]1CC([NH2+]CCC(F)(F)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006212 1014415719 /nfs/dbraw/zinc/41/57/19/1014415719.db2.gz MOMLZRWNLJKAQL-KBPBESRZSA-N 2 0 314.395 3.970 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236449 1014507264 /nfs/dbraw/zinc/50/72/64/1014507264.db2.gz NGQTZBJFOUTRHJ-GMBSWORKSA-N 2 0 302.462 3.657 20 0 DHADRP C[C@H](NCC1([NH3+])CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000665249607 1014552989 /nfs/dbraw/zinc/55/29/89/1014552989.db2.gz UIBCPNOYRBDASX-NSHDSACASA-N 2 0 302.340 3.507 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000581094217 1014553484 /nfs/dbraw/zinc/55/34/84/1014553484.db2.gz LQDIOTQPCSOHQO-CMKODMSKSA-N 2 0 317.521 3.532 20 0 DHADRP C[C@@H]1CC([NH2+]C[C@@H]2CCCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168010933 1014568083 /nfs/dbraw/zinc/56/80/83/1014568083.db2.gz LLJGBMDGCRBOAJ-HLIPFELVSA-N 2 0 316.489 3.587 20 0 DHADRP CSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011092 1014570984 /nfs/dbraw/zinc/57/09/84/1014570984.db2.gz MNBQDENPZXTMOS-ALXJQNPVSA-N 2 0 306.519 3.771 20 0 DHADRP C[C@@H]1CC([NH2+]CCCCCCO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012125 1014607165 /nfs/dbraw/zinc/60/71/65/1014607165.db2.gz WPPZALSTQDJBIF-QZTJIDSGSA-N 2 0 318.505 3.570 20 0 DHADRP C[C@@H]1CC([NH2+]C2CCSCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012597 1014615772 /nfs/dbraw/zinc/61/57/72/1014615772.db2.gz CODWWQJMAHZSQH-HZPDHXFCSA-N 2 0 318.530 3.913 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000581200855 1014611244 /nfs/dbraw/zinc/61/12/44/1014611244.db2.gz TURINAYMTOCSTB-RCBQFDQVSA-N 2 0 306.425 3.535 20 0 DHADRP FC1(F)CC12CCC([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC2 ZINC000665274728 1014638014 /nfs/dbraw/zinc/63/80/14/1014638014.db2.gz XFULFSMLLUZTLJ-CUQMJCILSA-N 2 0 312.448 3.855 20 0 DHADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cc(Br)ccc1F ZINC000665280960 1014667395 /nfs/dbraw/zinc/66/73/95/1014667395.db2.gz QMHHFFKGHDLGJU-IINYFYTJSA-N 2 0 317.246 3.612 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000665282288 1014675754 /nfs/dbraw/zinc/67/57/54/1014675754.db2.gz VAZJLAJVDRWFEP-XJKSGUPXSA-N 2 0 316.411 3.990 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CCn3ccnc3)C2)cc1 ZINC000442636325 1014706798 /nfs/dbraw/zinc/70/67/98/1014706798.db2.gz SNIJNMJKJOUXGU-HOCLYGCPSA-N 2 0 323.362 3.828 20 0 DHADRP C[C@]1(F)CC[NH+](Cc2ccc(C[N@H+]3CC[C@](C)(F)C3)cc2)C1 ZINC000347360631 1014738799 /nfs/dbraw/zinc/73/87/99/1014738799.db2.gz VLTPDWLWVXKTQI-ROUUACIJSA-N 2 0 308.416 3.554 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000442929049 1014772948 /nfs/dbraw/zinc/77/29/48/1014772948.db2.gz QPUYOWBBVDLHKE-OAHLLOKOSA-N 2 0 300.471 3.976 20 0 DHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)s2)cc1 ZINC000442921679 1014774143 /nfs/dbraw/zinc/77/41/43/1014774143.db2.gz JDGKZGVQYCSEBR-OAHLLOKOSA-N 2 0 315.486 3.679 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000442989686 1014788050 /nfs/dbraw/zinc/78/80/50/1014788050.db2.gz ITOZYPQFYPTCLN-HOTGVXAUSA-N 2 0 314.395 3.976 20 0 DHADRP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060637 1014797077 /nfs/dbraw/zinc/79/70/77/1014797077.db2.gz PKEUJVYRVKRUFH-QWHCGFSZSA-N 2 0 322.403 3.553 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521818290 1014808552 /nfs/dbraw/zinc/80/85/52/1014808552.db2.gz FLFANWLKMORVBX-VTUQDJEPSA-N 2 0 316.489 3.666 20 0 DHADRP C[C@H](c1ccncc1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000656533623 1014815478 /nfs/dbraw/zinc/81/54/78/1014815478.db2.gz KKGRLFMITCRMGA-MRXNPFEDSA-N 2 0 318.424 3.513 20 0 DHADRP CC(C)[NH2+]CCCN[C@H](C)c1sccc1Br ZINC000581423327 1014843636 /nfs/dbraw/zinc/84/36/36/1014843636.db2.gz BICWRICKXIMTGD-SNVBAGLBSA-N 2 0 305.285 3.549 20 0 DHADRP CC(C)c1ccc([C@H]([NH2+]C[C@@H](O)CN(C)C2CC2)C(C)C)cc1 ZINC000522038277 1014870214 /nfs/dbraw/zinc/87/02/14/1014870214.db2.gz WDLSGPDQISMIHA-WOJBJXKFSA-N 2 0 318.505 3.552 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000443410848 1014900231 /nfs/dbraw/zinc/90/02/31/1014900231.db2.gz OXVYBSYQZPCCOJ-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP CC[NH+](Cc1cncc(C[N@H+](CC)CC2CC2)c1)CC1CC1 ZINC000581648338 1015119714 /nfs/dbraw/zinc/11/97/14/1015119714.db2.gz ZJHWMOCGHMVZKD-UHFFFAOYSA-N 2 0 301.478 3.545 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647171579 1015171857 /nfs/dbraw/zinc/17/18/57/1015171857.db2.gz OQUQQHYDIPSHIC-GASCZTMLSA-N 2 0 302.453 3.912 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)c1 ZINC000684370933 1015175812 /nfs/dbraw/zinc/17/58/12/1015175812.db2.gz HTMIQMHSEMPECL-MOPGFXCFSA-N 2 0 304.478 3.576 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000684387389 1015226949 /nfs/dbraw/zinc/22/69/49/1015226949.db2.gz JDSHVOGDPNRFTR-JEVOJNTISA-N 2 0 308.510 3.577 20 0 DHADRP COCCCC1(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000895736325 1015286315 /nfs/dbraw/zinc/28/63/15/1015286315.db2.gz KXTWDCNALZLSEB-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000895868484 1015341116 /nfs/dbraw/zinc/34/11/16/1015341116.db2.gz DWULMZPYBKWUJX-GOSISDBHSA-N 2 0 316.489 3.607 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474462529 1015379898 /nfs/dbraw/zinc/37/98/98/1015379898.db2.gz SURBRTIZZGSHSH-KKUMJFAQSA-N 2 0 306.881 3.906 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000474478096 1015383705 /nfs/dbraw/zinc/38/37/05/1015383705.db2.gz JZBCPQCXFAURFL-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474478750 1015390292 /nfs/dbraw/zinc/39/02/92/1015390292.db2.gz PKEIKFMSOQYOBT-ZSYWTGECSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011089 1015443969 /nfs/dbraw/zinc/44/39/69/1015443969.db2.gz QGKFKTAXJRFFDM-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001168037470 1015469951 /nfs/dbraw/zinc/46/99/51/1015469951.db2.gz YQZXSJKFYDWPIJ-YWTNHNAXSA-N 2 0 316.489 3.585 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000474604596 1015486997 /nfs/dbraw/zinc/48/69/97/1015486997.db2.gz RBTBCFYQEJANIH-KZNAEPCWSA-N 2 0 318.505 3.899 20 0 DHADRP COC[C@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168040457 1015540935 /nfs/dbraw/zinc/54/09/35/1015540935.db2.gz MYCJIBDXQBHNBY-PIKOESSRSA-N 2 0 316.489 3.539 20 0 DHADRP Cc1cccnc1CCC[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000453308008 1015550560 /nfs/dbraw/zinc/55/05/60/1015550560.db2.gz MLPJIGCGQXFQPP-FPOVZHCZSA-N 2 0 323.484 3.748 20 0 DHADRP CCc1cccc(F)c1CNC1CC[NH+](C2CCCC2)CC1 ZINC000474793993 1015605831 /nfs/dbraw/zinc/60/58/31/1015605831.db2.gz HFHSBLRUROTOTI-UHFFFAOYSA-N 2 0 304.453 3.885 20 0 DHADRP C[C@@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000474816438 1015618572 /nfs/dbraw/zinc/61/85/72/1015618572.db2.gz KNILHDZGTYHPDT-BRWVUGGUSA-N 2 0 300.490 3.921 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000158258368 1015679138 /nfs/dbraw/zinc/67/91/38/1015679138.db2.gz MYCPRKOLCAZQFE-CHWSQXEVSA-N 2 0 316.367 3.578 20 0 DHADRP CCc1cccc(F)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000474887763 1015689605 /nfs/dbraw/zinc/68/96/05/1015689605.db2.gz MWNLUBLBGRZRFE-UHFFFAOYSA-N 2 0 300.421 3.740 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000341763719 1015727586 /nfs/dbraw/zinc/72/75/86/1015727586.db2.gz XZZJSEVNEWDSNT-PBHICJAKSA-N 2 0 322.880 3.875 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000475040109 1015792567 /nfs/dbraw/zinc/79/25/67/1015792567.db2.gz USKNZKCJPZBECP-QUCCMNQESA-N 2 0 318.505 3.646 20 0 DHADRP CS[C@@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000280943253 1015810269 /nfs/dbraw/zinc/81/02/69/1015810269.db2.gz IBFTZFHVDXFECR-ZLPCBKJTSA-N 2 0 306.519 3.771 20 0 DHADRP CC[C@@H]1CC[C@@H]([N@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C1 ZINC001173279836 1033672485 /nfs/dbraw/zinc/67/24/85/1033672485.db2.gz ROWAKVOQUBFDOD-ZACQAIPSSA-N 2 0 308.510 3.577 20 0 DHADRP CN(C)c1ccncc1C[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000342287381 1016232427 /nfs/dbraw/zinc/23/24/27/1016232427.db2.gz AADBRBPBSNBXAN-GXTWGEPZSA-N 2 0 315.383 3.606 20 0 DHADRP CC(C)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657304369 1016259194 /nfs/dbraw/zinc/25/91/94/1016259194.db2.gz GJWXCPAUKCLEKJ-FQEVSTJZSA-N 2 0 320.440 3.797 20 0 DHADRP c1csc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2)c1 ZINC000657307064 1016268336 /nfs/dbraw/zinc/26/83/36/1016268336.db2.gz IEINXRYQQHJXLB-INIZCTEOSA-N 2 0 312.482 3.989 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)c2cccc(Br)c21 ZINC000151944983 1016297066 /nfs/dbraw/zinc/29/70/66/1016297066.db2.gz WAKUTWHNKRFEFD-FZMZJTMJSA-N 2 0 311.267 3.539 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000582018875 1016303465 /nfs/dbraw/zinc/30/34/65/1016303465.db2.gz IPSABVYWGSEHHF-WPAPPDIDSA-N 2 0 304.478 3.650 20 0 DHADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000386363072 1016401887 /nfs/dbraw/zinc/40/18/87/1016401887.db2.gz DGMDHXKZYYXHKE-LJQANCHMSA-N 2 0 301.478 3.999 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCCO1 ZINC000346459783 1016408508 /nfs/dbraw/zinc/40/85/08/1016408508.db2.gz MULCFRSZHHUNEF-UWVAXJGDSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCCO1 ZINC000346563768 1016442940 /nfs/dbraw/zinc/44/29/40/1016442940.db2.gz PGJFVDMDTHEMCK-YLJYHZDGSA-N 2 0 316.489 3.720 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CCCCCOc2ccccc2)CC1 ZINC000277500075 1016448358 /nfs/dbraw/zinc/44/83/58/1016448358.db2.gz NWGBTSYIQTUNGG-SFHVURJKSA-N 2 0 304.478 3.652 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000281349112 1016468119 /nfs/dbraw/zinc/46/81/19/1016468119.db2.gz VEJVWRGGOMMLOV-ZFWWWQNUSA-N 2 0 314.395 3.568 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccccc3Cl)c2)CC1 ZINC000629690170 1016536439 /nfs/dbraw/zinc/53/64/39/1016536439.db2.gz GVOXDZNICCDALP-UHFFFAOYSA-N 2 0 300.833 3.930 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]21 ZINC000346819737 1016566278 /nfs/dbraw/zinc/56/62/78/1016566278.db2.gz DYRQAHVAQHWULD-QANKJYHBSA-N 2 0 314.404 3.645 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000277540164 1016569026 /nfs/dbraw/zinc/56/90/26/1016569026.db2.gz QHKMIACEWFPVLD-HXUWFJFHSA-N 2 0 309.457 3.665 20 0 DHADRP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([C@@H]([NH3+])CO)c2)cc1 ZINC000629707419 1016583711 /nfs/dbraw/zinc/58/37/11/1016583711.db2.gz KVHAKERADAELHB-RTWAWAEBSA-N 2 0 324.468 3.720 20 0 DHADRP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ncc(C[NH3+])s2)cc1 ZINC000629707015 1016586333 /nfs/dbraw/zinc/58/63/33/1016586333.db2.gz FVOSGVWJVCPHBW-OAHLLOKOSA-N 2 0 301.459 3.643 20 0 DHADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C[C@H]12 ZINC000346846664 1016593145 /nfs/dbraw/zinc/59/31/45/1016593145.db2.gz BQILXBNRXQYLQX-JLJPHGGASA-N 2 0 316.445 3.723 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000044517218 1016611879 /nfs/dbraw/zinc/61/18/79/1016611879.db2.gz BJZHNFPKJYSLDJ-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[N@H+](CCCCc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000582359978 1016620857 /nfs/dbraw/zinc/62/08/57/1016620857.db2.gz SPZSNULASJFJID-UHFFFAOYSA-N 2 0 314.395 3.712 20 0 DHADRP C[C@H]([NH3+])CCc1ccc(-c2cc(C[NH+](C)C)ccc2F)cc1 ZINC000629737465 1016635417 /nfs/dbraw/zinc/63/54/17/1016635417.db2.gz TYPODOSOVRYOCF-AWEZNQCLSA-N 2 0 300.421 3.834 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000347063745 1016722170 /nfs/dbraw/zinc/72/21/70/1016722170.db2.gz CRFFMOLPMMFENG-HKUYNNGSSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336868618 1016730223 /nfs/dbraw/zinc/73/02/23/1016730223.db2.gz UYBDPWZGDYIYJD-MRXNPFEDSA-N 2 0 312.457 3.731 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C2CCSCC2)C3)cc1 ZINC000111391811 1016759776 /nfs/dbraw/zinc/75/97/76/1016759776.db2.gz GTGJWWOTXDLMSH-YQQQUEKLSA-N 2 0 316.514 3.667 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)F)cc1 ZINC000337612535 1016756027 /nfs/dbraw/zinc/75/60/27/1016756027.db2.gz ZKCIMVNITLSZST-CFVMTHIKSA-N 2 0 310.388 3.565 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)c(Br)c1 ZINC000051694350 1016781072 /nfs/dbraw/zinc/78/10/72/1016781072.db2.gz YFCPTDQNCQSUJH-OIKLOGQESA-N 2 0 315.230 3.509 20 0 DHADRP c1csc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000281948321 1016828530 /nfs/dbraw/zinc/82/85/30/1016828530.db2.gz FKCVNNPAQPKSNJ-CQSZACIVSA-N 2 0 301.459 3.661 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000671297548 1016881781 /nfs/dbraw/zinc/88/17/81/1016881781.db2.gz ZOCBBHHFTWMZBT-TWRRNRRFSA-N 2 0 316.489 3.650 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000671313076 1016945919 /nfs/dbraw/zinc/94/59/19/1016945919.db2.gz QWLYWMWUOXXVKS-INIZCTEOSA-N 2 0 318.505 3.931 20 0 DHADRP c1cc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657472992 1016952489 /nfs/dbraw/zinc/95/24/89/1016952489.db2.gz DEZNYPQVTPRTJU-FQEVSTJZSA-N 2 0 318.424 3.551 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623335321 1016965093 /nfs/dbraw/zinc/96/50/93/1016965093.db2.gz HRENQMWNIHDRJR-AWEZNQCLSA-N 2 0 312.885 3.949 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2C/C=C/c2ccc(F)cc2F)CC1 ZINC000475123024 1016983810 /nfs/dbraw/zinc/98/38/10/1016983810.db2.gz WCXXYVBJDIIVDI-DUXPYHPUSA-N 2 0 306.400 3.538 20 0 DHADRP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623358891 1016985718 /nfs/dbraw/zinc/98/57/18/1016985718.db2.gz XSVNXCZBFIWJRY-NVXWUHKLSA-N 2 0 304.478 3.997 20 0 DHADRP C[N@@H+]1CC[C@@H](N[C@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374676 1017005440 /nfs/dbraw/zinc/00/54/40/1017005440.db2.gz KXUAJXYRSUZBHW-DOMZBBRYSA-N 2 0 308.853 3.626 20 0 DHADRP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440396 1017048861 /nfs/dbraw/zinc/04/88/61/1017048861.db2.gz ULNWOBNCAWUWHB-CABCVRRESA-N 2 0 324.896 3.960 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCC(F)(F)CC1 ZINC000475191027 1017057788 /nfs/dbraw/zinc/05/77/88/1017057788.db2.gz IEIHQXCFTBJJAR-CYBMUJFWSA-N 2 0 300.437 3.664 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474093 1017062186 /nfs/dbraw/zinc/06/21/86/1017062186.db2.gz QYSQTLFIZDQGGO-MRXNPFEDSA-N 2 0 324.896 3.744 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000623491479 1017069026 /nfs/dbraw/zinc/06/90/26/1017069026.db2.gz WDMFSBSTYNZPLV-OKZBNKHCSA-N 2 0 320.452 3.508 20 0 DHADRP CC[C@H]([NH2+]CCCNc1ccccn1)c1cc(F)ccc1F ZINC000361922371 1032154982 /nfs/dbraw/zinc/15/49/82/1032154982.db2.gz IIUQFCDRTXXMJO-INIZCTEOSA-N 2 0 305.372 3.903 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCNc1ccccn1)CCC2 ZINC000361922576 1032155533 /nfs/dbraw/zinc/15/55/33/1032155533.db2.gz AOVBDTQUOHWZHS-SFHVURJKSA-N 2 0 311.429 3.559 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000362012907 1032194725 /nfs/dbraw/zinc/19/47/25/1032194725.db2.gz IDKQXFMOOKCLLP-OGHNNQOOSA-N 2 0 310.482 3.507 20 0 DHADRP C[NH+](C)C1CCC([N@H+](Cc2ccccc2)Cc2ccccn2)CC1 ZINC001168313755 1032217615 /nfs/dbraw/zinc/21/76/15/1032217615.db2.gz GSAAFYWHJTWBAN-UHFFFAOYSA-N 2 0 323.484 3.957 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283856 1032241230 /nfs/dbraw/zinc/24/12/30/1032241230.db2.gz JSOWEZUWTHWIEA-AWEZNQCLSA-N 2 0 324.896 3.527 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494085 1017070788 /nfs/dbraw/zinc/07/07/88/1017070788.db2.gz AODDLMAMHNQBRY-HNNXBMFYSA-N 2 0 300.446 3.746 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2ncsc2c1 ZINC000623496507 1017079742 /nfs/dbraw/zinc/07/97/42/1017079742.db2.gz ZEYYWALHEUDYPV-OCCSQVGLSA-N 2 0 303.475 3.820 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC1(C)C ZINC000623478723 1017073894 /nfs/dbraw/zinc/07/38/94/1017073894.db2.gz WPWNWECAEOMUKJ-CQSZACIVSA-N 2 0 324.871 3.973 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1(C)C ZINC000623511916 1017077332 /nfs/dbraw/zinc/07/73/32/1017077332.db2.gz LWLHRJDTLFSMRT-NJAFHUGGSA-N 2 0 304.453 3.924 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC001168322987 1032268611 /nfs/dbraw/zinc/26/86/11/1032268611.db2.gz LKRYUSYCOPNBQQ-UHFFFAOYSA-N 2 0 320.452 3.542 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2c2c(F)cccc2F)CC1 ZINC001168328520 1032299813 /nfs/dbraw/zinc/29/98/13/1032299813.db2.gz JAIJGHZIWJRVIQ-KVULBXGLSA-N 2 0 308.416 3.975 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708849 1033343644 /nfs/dbraw/zinc/34/36/44/1033343644.db2.gz GHKGMQASEVQVCI-INIZCTEOSA-N 2 0 306.881 3.788 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000089141188 1032327417 /nfs/dbraw/zinc/32/74/17/1032327417.db2.gz XGZLPZAYPDKVJA-NJZAAPMLSA-N 2 0 311.267 3.617 20 0 DHADRP CCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000089215360 1032329633 /nfs/dbraw/zinc/32/96/33/1032329633.db2.gz PTQCXRSURVXWFE-LJQANCHMSA-N 2 0 324.472 3.824 20 0 DHADRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168334872 1032342755 /nfs/dbraw/zinc/34/27/55/1032342755.db2.gz YWUPEXMZVSDCER-NXVRBGIVSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000475214604 1017086285 /nfs/dbraw/zinc/08/62/85/1017086285.db2.gz JKLMFFTVDRKWOZ-DZGCQCFKSA-N 2 0 300.437 3.664 20 0 DHADRP FC(F)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000475216890 1017087272 /nfs/dbraw/zinc/08/72/72/1017087272.db2.gz VABBEHPNMQXDNX-BRWVUGGUSA-N 2 0 320.427 3.532 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2ncsc2c1 ZINC000623496505 1017080145 /nfs/dbraw/zinc/08/01/45/1017080145.db2.gz ZEYYWALHEUDYPV-GXTWGEPZSA-N 2 0 303.475 3.820 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000115628036 1017080269 /nfs/dbraw/zinc/08/02/69/1017080269.db2.gz WBGFSFDSMLMQNT-QUCCMNQESA-N 2 0 318.505 3.530 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000121715430 1032468683 /nfs/dbraw/zinc/46/86/83/1032468683.db2.gz IYPMBDIJBCIPEL-INIZCTEOSA-N 2 0 304.478 3.776 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000075007515 1017285223 /nfs/dbraw/zinc/28/52/23/1017285223.db2.gz FUZIFHXUAMXAEN-QGZVFWFLSA-N 2 0 304.478 3.570 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1OC ZINC000623525605 1017089848 /nfs/dbraw/zinc/08/98/48/1017089848.db2.gz UCVKJJRVNKYELV-HUUCEWRRSA-N 2 0 320.477 3.536 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000773072449 1032548236 /nfs/dbraw/zinc/54/82/36/1032548236.db2.gz ABQMVHLRLSJDAJ-JKSUJKDBSA-N 2 0 300.556 3.864 20 0 DHADRP CC[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000537647437 1032576273 /nfs/dbraw/zinc/57/62/73/1032576273.db2.gz GVPBWULXTDTWBH-RBUKOAKNSA-N 2 0 300.490 3.844 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424290594 1011961155 /nfs/dbraw/zinc/96/11/55/1011961155.db2.gz MXFHEUUBAMYACN-ZDUSSCGKSA-N 2 0 312.379 3.669 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000424277758 1011970404 /nfs/dbraw/zinc/97/04/04/1011970404.db2.gz AUSUIDCWWOFGKP-KBPBESRZSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424329743 1011982739 /nfs/dbraw/zinc/98/27/39/1011982739.db2.gz PXDSKIHTOWABBZ-TYCQWZJGSA-N 2 0 312.501 3.860 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379925 1012015431 /nfs/dbraw/zinc/01/54/31/1012015431.db2.gz WDEIUMFLLWYMCK-DAXOMENPSA-N 2 0 314.395 3.886 20 0 DHADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000219315849 1012021273 /nfs/dbraw/zinc/02/12/73/1012021273.db2.gz UOQRRDBKTGYWJP-OAHLLOKOSA-N 2 0 319.276 3.612 20 0 DHADRP Fc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001171405891 1032595096 /nfs/dbraw/zinc/59/50/96/1032595096.db2.gz BPMNOWGPQBPZAW-QGZVFWFLSA-N 2 0 316.464 3.680 20 0 DHADRP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OC)cc1 ZINC000643546955 1012096474 /nfs/dbraw/zinc/09/64/74/1012096474.db2.gz XKARZRMPXBLDEN-SJLPKXTDSA-N 2 0 302.462 3.801 20 0 DHADRP FC(F)(F)c1ccc(Cl)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952317 1032600586 /nfs/dbraw/zinc/60/05/86/1032600586.db2.gz QQNYAFMFELIPRU-CYBMUJFWSA-N 2 0 318.770 3.591 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643547173 1012114152 /nfs/dbraw/zinc/11/41/52/1012114152.db2.gz ANSWJPZPVGFTCY-WMZOPIPTSA-N 2 0 314.473 3.781 20 0 DHADRP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548100 1012115852 /nfs/dbraw/zinc/11/58/52/1012115852.db2.gz MKBFKWMPYVAJSU-DYVFJYSZSA-N 2 0 304.865 3.982 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C(C)C)cc1 ZINC000643548620 1012122192 /nfs/dbraw/zinc/12/21/92/1012122192.db2.gz RZQCERGFLWXEFD-FUHWJXTLSA-N 2 0 302.462 3.657 20 0 DHADRP FC(F)(F)c1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000666952239 1032602219 /nfs/dbraw/zinc/60/22/19/1032602219.db2.gz LYDDCOSMLZNEFX-ZDUSSCGKSA-N 2 0 318.770 3.591 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953556 1032602247 /nfs/dbraw/zinc/60/22/47/1032602247.db2.gz BBOYVWFMYDAFOQ-XIRDDKMYSA-N 2 0 304.865 3.708 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953842 1032603180 /nfs/dbraw/zinc/60/31/80/1032603180.db2.gz JDFKIIVOIXDVTC-FQEVSTJZSA-N 2 0 322.452 3.594 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000123586873 1012170288 /nfs/dbraw/zinc/17/02/88/1012170288.db2.gz ASYXJLDVJDNVRW-UTKZUKDTSA-N 2 0 308.469 3.968 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954502 1032605895 /nfs/dbraw/zinc/60/58/95/1032605895.db2.gz WLEBEMLIIMJTSV-NHYWBVRUSA-N 2 0 313.272 3.656 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2c(Cl)cccc2OC)CC1 ZINC000513960250 1012230328 /nfs/dbraw/zinc/23/03/28/1012230328.db2.gz DBLNKZHUQYCDGO-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC[C@@H]3C2)cc1 ZINC001167958492 1012434239 /nfs/dbraw/zinc/43/42/39/1012434239.db2.gz FYMBYQUPZWXCBI-XKRYSZRTSA-N 2 0 310.485 3.629 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC[C@H]3C2)cc1 ZINC001167958489 1012435691 /nfs/dbraw/zinc/43/56/91/1012435691.db2.gz FYMBYQUPZWXCBI-LUYSREMJSA-N 2 0 310.485 3.629 20 0 DHADRP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000515232814 1012583554 /nfs/dbraw/zinc/58/35/54/1012583554.db2.gz YYKWJWPXFGUAQT-IXDOHACOSA-N 2 0 304.503 3.637 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[NH+]([C@@H](C)C(C)=O)CC2 ZINC001280159914 1012737834 /nfs/dbraw/zinc/73/78/34/1012737834.db2.gz FWXVVEFIGMBTMB-WMZOPIPTSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894317974 1012754990 /nfs/dbraw/zinc/75/49/90/1012754990.db2.gz XPXJSUBLKUIUDQ-STQMWFEESA-N 2 0 323.893 3.912 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894317969 1012755428 /nfs/dbraw/zinc/75/54/28/1012755428.db2.gz XPXJSUBLKUIUDQ-OLZOCXBDSA-N 2 0 323.893 3.912 20 0 DHADRP FCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000516883292 1012854113 /nfs/dbraw/zinc/85/41/13/1012854113.db2.gz UZFUFKQWDMKEBL-GBESFXJTSA-N 2 0 304.453 3.626 20 0 DHADRP Clc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167962237 1012917986 /nfs/dbraw/zinc/91/79/86/1012917986.db2.gz VRRMAXSOXURDBR-AYHJJNSGSA-N 2 0 318.892 3.878 20 0 DHADRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc21 ZINC001167962337 1012962945 /nfs/dbraw/zinc/96/29/45/1012962945.db2.gz WVCQXBVPWCNUPY-YQQQUEKLSA-N 2 0 323.484 3.673 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(SCC(F)F)cc1 ZINC000425941990 1012980550 /nfs/dbraw/zinc/98/05/50/1012980550.db2.gz DEWKXILVCNVLTM-QWHCGFSZSA-N 2 0 316.461 3.892 20 0 DHADRP Fc1cccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000182916390 1013015525 /nfs/dbraw/zinc/01/55/25/1013015525.db2.gz UWALSURIUPZUBF-YLJYHZDGSA-N 2 0 316.464 3.707 20 0 DHADRP Clc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000076965838 1013036690 /nfs/dbraw/zinc/03/66/90/1013036690.db2.gz UEBQBBXPZYMQSX-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP C[C@H]([NH2+]CCc1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177726619 1017112968 /nfs/dbraw/zinc/11/29/68/1017112968.db2.gz QCAOCAIKSBOTQJ-HNNXBMFYSA-N 2 0 318.486 3.582 20 0 DHADRP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000177749168 1017140392 /nfs/dbraw/zinc/14/03/92/1017140392.db2.gz UPWLYIUDRRBWRV-UHFFFAOYSA-N 2 0 300.446 3.972 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000475335359 1017149921 /nfs/dbraw/zinc/14/99/21/1017149921.db2.gz REBFUJDKQBKYJJ-WQCNXYOZSA-N 2 0 304.453 3.782 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000475335550 1017150924 /nfs/dbraw/zinc/15/09/24/1017150924.db2.gz RLSSHLUQQNQUDC-LULLPPNCSA-N 2 0 302.437 3.678 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623679475 1017167668 /nfs/dbraw/zinc/16/76/68/1017167668.db2.gz ZETXPJSYFWEDGC-BZSNNMDCSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCCOC2)C[C@H](C)N1Cc1ccccc1 ZINC001168063589 1017195846 /nfs/dbraw/zinc/19/58/46/1017195846.db2.gz CTRQEXMTAGDSBY-PIKOESSRSA-N 2 0 316.489 3.539 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC001167601746 1017199397 /nfs/dbraw/zinc/19/93/97/1017199397.db2.gz GDUKWDFTLXNZHO-MSOLQXFVSA-N 2 0 310.526 3.636 20 0 DHADRP CC(C)C1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657535299 1017215377 /nfs/dbraw/zinc/21/53/77/1017215377.db2.gz IUCNQAWKVSXHQJ-UHFFFAOYSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cccnc1 ZINC000716655090 1032699241 /nfs/dbraw/zinc/69/92/41/1032699241.db2.gz LVQUPMVZBGDRGD-PLWAMTLXSA-N 2 0 321.468 3.785 20 0 DHADRP FC1(F)CC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716694767 1032701917 /nfs/dbraw/zinc/70/19/17/1032701917.db2.gz TYRATLWBEGNURV-JQHSSLGASA-N 2 0 320.427 3.674 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CS1 ZINC000716674428 1032702808 /nfs/dbraw/zinc/70/28/08/1032702808.db2.gz XJGFNFKXGJFRNU-WRNCNIFXSA-N 2 0 316.514 3.523 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CS1 ZINC000716674410 1032702879 /nfs/dbraw/zinc/70/28/79/1032702879.db2.gz XJGFNFKXGJFRNU-QTUASDBPSA-N 2 0 316.514 3.523 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)CC[C@@H]21 ZINC000180732195 1017502783 /nfs/dbraw/zinc/50/27/83/1017502783.db2.gz DSPKTRFXUSTXSN-DHSOXLPSSA-N 2 0 304.865 3.769 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2scnc21 ZINC000623863885 1017541255 /nfs/dbraw/zinc/54/12/55/1017541255.db2.gz BDHKNPUCSGAGPM-GJZGRUSLSA-N 2 0 307.507 3.765 20 0 DHADRP CC(C)c1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000623891376 1017571463 /nfs/dbraw/zinc/57/14/63/1017571463.db2.gz KVTWGFPJDBRANU-XLIONFOSSA-N 2 0 318.505 3.698 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(C)ccc1C ZINC000623891363 1017572679 /nfs/dbraw/zinc/57/26/79/1017572679.db2.gz KNNOGKZVCQKLAB-UYAOXDASSA-N 2 0 318.505 3.581 20 0 DHADRP CCc1ccccc1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000444640035 1017613202 /nfs/dbraw/zinc/61/32/02/1017613202.db2.gz MTFNBGBHVXFOBZ-HXUWFJFHSA-N 2 0 300.490 3.742 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1(C)C ZINC000623999522 1017628542 /nfs/dbraw/zinc/62/85/42/1017628542.db2.gz SUYSQNJHJGYLAF-LALPHHSUSA-N 2 0 310.844 3.797 20 0 DHADRP CCSCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342868987 1017635374 /nfs/dbraw/zinc/63/53/74/1017635374.db2.gz SGLAELJJWJZTBT-UHFFFAOYSA-N 2 0 318.530 3.728 20 0 DHADRP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454015 1032715753 /nfs/dbraw/zinc/71/57/53/1032715753.db2.gz QNLLOJCYHGENTC-MRXNPFEDSA-N 2 0 310.432 3.534 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122626 1017695380 /nfs/dbraw/zinc/69/53/80/1017695380.db2.gz XACLEWUHLNZWSJ-HZPDHXFCSA-N 2 0 306.519 3.661 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000624122671 1017697186 /nfs/dbraw/zinc/69/71/86/1017697186.db2.gz YGBROSRVOLXFMR-AYOQOUSVSA-N 2 0 304.453 3.783 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000624146277 1017700074 /nfs/dbraw/zinc/70/00/74/1017700074.db2.gz XRGGVUWOINYAJW-BHIYHBOVSA-N 2 0 310.526 3.680 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1OCC ZINC000181398854 1017746404 /nfs/dbraw/zinc/74/64/04/1017746404.db2.gz YORZABKUFQCKAQ-WBVHZDCISA-N 2 0 320.477 3.619 20 0 DHADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001167633950 1017795028 /nfs/dbraw/zinc/79/50/28/1017795028.db2.gz HAGAOYIYFKLIHS-OWSLCNJRSA-N 2 0 320.427 3.594 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)C1CC[NH+](C)CC1 ZINC000125934569 1017845278 /nfs/dbraw/zinc/84/52/78/1017845278.db2.gz OBTBMVAOIUIFCC-KRWDZBQOSA-N 2 0 300.490 3.818 20 0 DHADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC001167647002 1017940626 /nfs/dbraw/zinc/94/06/26/1017940626.db2.gz JLBSEVNVAKHHTP-WOJBJXKFSA-N 2 0 300.490 3.801 20 0 DHADRP C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000624259998 1017970634 /nfs/dbraw/zinc/97/06/34/1017970634.db2.gz AMEZOFYJIJQTQR-JTQLQIEISA-N 2 0 306.397 3.587 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccn1 ZINC000658063975 1018010966 /nfs/dbraw/zinc/01/09/66/1018010966.db2.gz MCCRVYGSCLJCGO-QKLQHJQFSA-N 2 0 315.505 3.818 20 0 DHADRP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658064516 1018013765 /nfs/dbraw/zinc/01/37/65/1018013765.db2.gz OQHOQZYJMHFMCY-GGPKGHCWSA-N 2 0 323.484 3.685 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183353455 1018016095 /nfs/dbraw/zinc/01/60/95/1018016095.db2.gz ATIHNRGBWSUNHF-SJLPKXTDSA-N 2 0 304.453 3.565 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066797 1018019391 /nfs/dbraw/zinc/01/93/91/1018019391.db2.gz GECDROKWEZKATM-KRWDZBQOSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccsc1 ZINC000658069808 1018026750 /nfs/dbraw/zinc/02/67/50/1018026750.db2.gz IKHIULCGFVBKOQ-SFHVURJKSA-N 2 0 322.518 3.680 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000318699529 1018057289 /nfs/dbraw/zinc/05/72/89/1018057289.db2.gz QGWPOIULVPHLDV-RTBURBONSA-N 2 0 304.478 3.576 20 0 DHADRP Cc1cc(F)ccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673853 1018125040 /nfs/dbraw/zinc/12/50/40/1018125040.db2.gz WRCNZGWKBCARQY-WBVHZDCISA-N 2 0 304.453 3.877 20 0 DHADRP C[C@H]([NH2+]CCCOc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185690766 1018125805 /nfs/dbraw/zinc/12/58/05/1018125805.db2.gz CULLDHBCOPNQDO-ROUUACIJSA-N 2 0 316.489 3.698 20 0 DHADRP C[C@@H]([NH2+]CCc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123922068 1018137233 /nfs/dbraw/zinc/13/72/33/1018137233.db2.gz SGCLLDOPWIHOLS-WBVHZDCISA-N 2 0 304.453 3.611 20 0 DHADRP [NH3+][C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000261819809 1018153669 /nfs/dbraw/zinc/15/36/69/1018153669.db2.gz AOORZTRPYSALOJ-HZPDHXFCSA-N 2 0 306.331 3.940 20 0 DHADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658162438 1018184801 /nfs/dbraw/zinc/18/48/01/1018184801.db2.gz DFFSLCVVCJFILW-UXHICEINSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CC[N@@H+]1C ZINC000525195260 1018199836 /nfs/dbraw/zinc/19/98/36/1018199836.db2.gz AGFPRBQFJOKLEW-DOTOQJQBSA-N 2 0 302.462 3.580 20 0 DHADRP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)C(C)(C)C ZINC000154963806 1018227809 /nfs/dbraw/zinc/22/78/09/1018227809.db2.gz GJPFLSKXYBAYFV-YOEHRIQHSA-N 2 0 301.434 3.584 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)C1CCCC1 ZINC000446757502 1018245215 /nfs/dbraw/zinc/24/52/15/1018245215.db2.gz BFOTWUBIXSDZKE-FQEVSTJZSA-N 2 0 318.505 3.822 20 0 DHADRP Cc1cc2[nH]c(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2c(C)c1 ZINC000446883939 1018285555 /nfs/dbraw/zinc/28/55/55/1018285555.db2.gz MSNMEVJAOLCDKX-UHFFFAOYSA-N 2 0 311.473 3.749 20 0 DHADRP CCC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884220 1018286527 /nfs/dbraw/zinc/28/65/27/1018286527.db2.gz NAIXMZAUCSIKJE-LJQANCHMSA-N 2 0 300.490 3.862 20 0 DHADRP CC(C)SCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382040894 1018298285 /nfs/dbraw/zinc/29/82/85/1018298285.db2.gz ILQVPGGAIJXXCV-RTBURBONSA-N 2 0 318.530 3.582 20 0 DHADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000658253419 1018360107 /nfs/dbraw/zinc/36/01/07/1018360107.db2.gz MIQRYNQJMUGGFV-SJORKVTESA-N 2 0 322.537 3.965 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926486202 1018414540 /nfs/dbraw/zinc/41/45/40/1018414540.db2.gz DPJIJFLSFCUBLL-GOSISDBHSA-N 3 0 317.521 3.665 20 0 DHADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447559861 1018425501 /nfs/dbraw/zinc/42/55/01/1018425501.db2.gz UPSLTLRJJXTKRS-LJQANCHMSA-N 2 0 302.437 3.667 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447566633 1018427334 /nfs/dbraw/zinc/42/73/34/1018427334.db2.gz VDYZZWDAZDDZPN-OAHLLOKOSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261837860 1018464628 /nfs/dbraw/zinc/46/46/28/1018464628.db2.gz YFGRPEUEKBIQPI-SUMWQHHRSA-N 2 0 324.415 3.813 20 0 DHADRP c1ccc2c(c1)CC[NH+](CCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000001735285 1018465602 /nfs/dbraw/zinc/46/56/02/1018465602.db2.gz VRXJIANCIJIWPS-UHFFFAOYSA-N 2 0 320.480 3.883 20 0 DHADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)ccc1C ZINC000447816388 1018476218 /nfs/dbraw/zinc/47/62/18/1018476218.db2.gz KFDHMZYBJQNADK-UHFFFAOYSA-N 2 0 304.478 3.749 20 0 DHADRP Cc1ncccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000675478061 1018496096 /nfs/dbraw/zinc/49/60/96/1018496096.db2.gz GTVAOHFJBOEGIT-LFUKPOHLSA-N 2 0 323.484 3.636 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H](C)c1nc2ccccc2s1 ZINC000635004785 1018510242 /nfs/dbraw/zinc/51/02/42/1018510242.db2.gz FMTCNXXYSBDCHY-XGUBFFRZSA-N 2 0 317.502 3.895 20 0 DHADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000843342992 1018511148 /nfs/dbraw/zinc/51/11/48/1018511148.db2.gz QDCBBRVZYMUUQG-GFCCVEGCSA-N 2 0 304.356 3.755 20 0 DHADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(F)cc1OC(F)F ZINC000843343274 1018511632 /nfs/dbraw/zinc/51/16/32/1018511632.db2.gz YQQLJYUMTGVQKI-NSHDSACASA-N 2 0 304.356 3.597 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000650705235 1018515943 /nfs/dbraw/zinc/51/59/43/1018515943.db2.gz AEQFIOKXOADDFI-HBMCJLEFSA-N 2 0 324.468 3.558 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@@H]1CC[NH3+] ZINC000650710989 1018530448 /nfs/dbraw/zinc/53/04/48/1018530448.db2.gz FGWWPKBRZOXEQT-OXJNMPFZSA-N 2 0 309.457 3.698 20 0 DHADRP C[C@H]1CCCN(Cc2ncc(-c3ccccc3)s2)[C@@H]1CC[NH3+] ZINC000650710882 1018531696 /nfs/dbraw/zinc/53/16/96/1018531696.db2.gz BTLCAXKAYXLMIE-GOEBONIOSA-N 2 0 315.486 3.759 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713441 1018548986 /nfs/dbraw/zinc/54/89/86/1018548986.db2.gz SPOYIKFYKSDIBF-UHFFFAOYSA-N 2 0 310.441 3.581 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000650714274 1018550643 /nfs/dbraw/zinc/55/06/43/1018550643.db2.gz XWNCUAQDVTWWLN-OAQYLSRUSA-N 2 0 322.496 3.949 20 0 DHADRP Cc1ccc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000675732979 1018565203 /nfs/dbraw/zinc/56/52/03/1018565203.db2.gz ROZRODWNARSXOT-UHFFFAOYSA-N 2 0 300.490 3.700 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000650719188 1018565916 /nfs/dbraw/zinc/56/59/16/1018565916.db2.gz GZKSQAVYQRUYAG-UHFFFAOYSA-N 2 0 324.346 3.594 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722664 1018574442 /nfs/dbraw/zinc/57/44/42/1018574442.db2.gz YTPVBCYMDURRSJ-XUVXKRRUSA-N 2 0 316.489 3.671 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1Cl ZINC000650723119 1018576691 /nfs/dbraw/zinc/57/66/91/1018576691.db2.gz HRJAWUGWUKHBGR-JQHSSLGASA-N 2 0 322.880 3.509 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000675784586 1018589244 /nfs/dbraw/zinc/58/92/44/1018589244.db2.gz ZHGJUMQAEFVDJV-BRWVUGGUSA-N 2 0 324.534 3.548 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675784588 1018589859 /nfs/dbraw/zinc/58/98/59/1018589859.db2.gz ZHGJUMQAEFVDJV-IXDOHACOSA-N 2 0 324.534 3.548 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000675819106 1018600890 /nfs/dbraw/zinc/60/08/90/1018600890.db2.gz RUYHNUOUEKFQPX-IBGZPJMESA-N 2 0 316.489 3.839 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000647301628 1018602163 /nfs/dbraw/zinc/60/21/63/1018602163.db2.gz LGPVCOVCLUKBHY-LJQANCHMSA-N 2 0 301.478 3.633 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650740353 1018626430 /nfs/dbraw/zinc/62/64/30/1018626430.db2.gz LCKFOXQRTDSEAB-ZIAGYGMSSA-N 2 0 302.393 3.833 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000675927092 1018628547 /nfs/dbraw/zinc/62/85/47/1018628547.db2.gz KWEFFGSNTZHFOU-LQWHRVPQSA-N 2 0 323.484 3.685 20 0 DHADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1F ZINC000650743508 1018637545 /nfs/dbraw/zinc/63/75/45/1018637545.db2.gz VEXZLCWMDJZXCJ-ACJLOTCBSA-N 2 0 301.409 3.790 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCC2(C[NH3+])CC2)cc1F ZINC000650746195 1018642139 /nfs/dbraw/zinc/64/21/39/1018642139.db2.gz XXGHZOJQTBIFIN-WBVHZDCISA-N 2 0 320.452 3.579 20 0 DHADRP C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138332 1032777073 /nfs/dbraw/zinc/77/70/73/1032777073.db2.gz XCDLOJLSTFYUNA-OLZOCXBDSA-N 2 0 303.475 3.820 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650752122 1018666753 /nfs/dbraw/zinc/66/67/53/1018666753.db2.gz JRHAWZZSUIGZNY-ZDUSSCGKSA-N 2 0 302.393 3.534 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650753209 1018670952 /nfs/dbraw/zinc/67/09/52/1018670952.db2.gz IVDIXTCRKHXIDC-ZIAGYGMSSA-N 2 0 316.420 3.575 20 0 DHADRP CCOc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1F ZINC000278422660 1018678022 /nfs/dbraw/zinc/67/80/22/1018678022.db2.gz QVQMNUTUGRSJJI-UHFFFAOYSA-N 2 0 316.420 3.576 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)c(F)c1 ZINC000650754768 1018680275 /nfs/dbraw/zinc/68/02/75/1018680275.db2.gz QFJNFRHFIOGZFN-GOSISDBHSA-N 2 0 302.368 3.591 20 0 DHADRP Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657798499 1018703541 /nfs/dbraw/zinc/70/35/41/1018703541.db2.gz PPRBOQVTILLQMA-HXUWFJFHSA-N 2 0 318.424 3.743 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000650763869 1018709507 /nfs/dbraw/zinc/70/95/07/1018709507.db2.gz KYXKYNCVWJHAEB-JTQLQIEISA-N 2 0 317.296 3.551 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CCC3CC[NH2+]CC3)oc21 ZINC000650763105 1018711180 /nfs/dbraw/zinc/71/11/80/1018711180.db2.gz RCUYLTIQZDHIIV-AWEZNQCLSA-N 2 0 316.445 3.872 20 0 DHADRP c1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000278462072 1018713077 /nfs/dbraw/zinc/71/30/77/1018713077.db2.gz MTPKIXRSDIOPOS-OAQYLSRUSA-N 2 0 321.468 3.635 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000278482850 1018731655 /nfs/dbraw/zinc/73/16/55/1018731655.db2.gz OVIIIFZZENKSEZ-IBGZPJMESA-N 2 0 302.462 3.610 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278491995 1018746173 /nfs/dbraw/zinc/74/61/73/1018746173.db2.gz PSRULDRNCVETRR-CVEARBPZSA-N 2 0 316.489 3.651 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357523 1018754440 /nfs/dbraw/zinc/75/44/40/1018754440.db2.gz PNDPQMBXARTPOD-INIZCTEOSA-N 2 0 316.489 3.776 20 0 DHADRP CSCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000385789416 1018791440 /nfs/dbraw/zinc/79/14/40/1018791440.db2.gz DQMDOFPGQVQRKD-NUUXYWTLSA-N 2 0 310.551 3.809 20 0 DHADRP Fc1c(Cl)cccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813769 1018811096 /nfs/dbraw/zinc/81/10/96/1018811096.db2.gz ZSNWIVILUCOMOD-UHFFFAOYSA-N 2 0 310.844 3.691 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)C1 ZINC000584021223 1018858189 /nfs/dbraw/zinc/85/81/89/1018858189.db2.gz LLHKXXDTHLPJIO-JUTVBYGBSA-N 2 0 324.512 3.957 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH+]1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC001171578979 1032792565 /nfs/dbraw/zinc/79/25/65/1032792565.db2.gz MPZXIKHBOCVYMF-IBGZPJMESA-N 2 0 312.501 3.803 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2nc(C(C)(C)C)co2)CC1 ZINC000921820240 1018905982 /nfs/dbraw/zinc/90/59/82/1018905982.db2.gz MHRDUEWEZXJRFB-UHFFFAOYSA-N 2 0 321.509 3.820 20 0 DHADRP C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C(F)F)nc1 ZINC000657823711 1018906872 /nfs/dbraw/zinc/90/68/72/1018906872.db2.gz AHYPRSIUGBTGGJ-LLVKDONJSA-N 2 0 311.420 3.979 20 0 DHADRP C[NH+]1C(C)(C)CC(N2CC[NH+](C3CCCCC3)CC2)CC1(C)C ZINC001171628724 1032794145 /nfs/dbraw/zinc/79/41/45/1032794145.db2.gz HVFJHBBEFQHCEQ-UHFFFAOYSA-N 2 0 321.553 3.588 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1(C)C ZINC001171631473 1032795258 /nfs/dbraw/zinc/79/52/58/1032795258.db2.gz IYPOXBBYGRQTOC-HNNXBMFYSA-N 2 0 324.406 3.862 20 0 DHADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000129009664 1018937077 /nfs/dbraw/zinc/93/70/77/1018937077.db2.gz MOFLPOMPHLWXIL-LSDHHAIUSA-N 2 0 311.267 3.632 20 0 DHADRP C[NH2+][C@@]12CC[C@@]([NH2+]CCCCOCc3ccccc3)(C1)CCC2 ZINC001279237038 1018964732 /nfs/dbraw/zinc/96/47/32/1018964732.db2.gz JJOSZTHKWLJQAS-VQTJNVASSA-N 2 0 316.489 3.638 20 0 DHADRP Cn1ccc2cc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)ccc21 ZINC001171612960 1032798906 /nfs/dbraw/zinc/79/89/06/1032798906.db2.gz BMNDZPWDJZYFRU-UHFFFAOYSA-N 2 0 313.489 3.919 20 0 DHADRP Cc1cccnc1CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171612998 1032799388 /nfs/dbraw/zinc/79/93/88/1032799388.db2.gz CQDKWSZZPASZNZ-UHFFFAOYSA-N 2 0 303.494 3.564 20 0 DHADRP C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657832495 1018990767 /nfs/dbraw/zinc/99/07/67/1018990767.db2.gz DTWRCNMOAILXAU-OAHLLOKOSA-N 2 0 324.459 3.963 20 0 DHADRP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252873177 1019023065 /nfs/dbraw/zinc/02/30/65/1019023065.db2.gz UMQKCYUGTHPHPE-TWJWRFFLSA-N 2 0 323.278 3.569 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCSCC1 ZINC000657835934 1019044397 /nfs/dbraw/zinc/04/43/97/1019044397.db2.gz PEWZWEVJBGYRFZ-GOSISDBHSA-N 2 0 306.519 3.902 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc2cnccc2o1 ZINC000657837822 1019061367 /nfs/dbraw/zinc/06/13/67/1019061367.db2.gz JWTLYBZRBOKPGR-HZPDHXFCSA-N 2 0 315.461 3.991 20 0 DHADRP C[C@@H]1CCC[C@@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000387343638 1019085165 /nfs/dbraw/zinc/08/51/65/1019085165.db2.gz WXKYTLAQLFYPOB-SJORKVTESA-N 2 0 301.478 3.856 20 0 DHADRP C[NH+]1C(C)(C)CC(n2c(CC[NH3+])cc3ccccc32)CC1(C)C ZINC001171624478 1032806446 /nfs/dbraw/zinc/80/64/46/1032806446.db2.gz SNCNZEWCAOAZRL-UHFFFAOYSA-N 2 0 313.489 3.966 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccncc2s1 ZINC000657839494 1019091201 /nfs/dbraw/zinc/09/12/01/1019091201.db2.gz AEKKCEGYRUSCIS-CFVMTHIKSA-N 2 0 301.459 3.574 20 0 DHADRP CCOC1CCC([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000657839428 1019093692 /nfs/dbraw/zinc/09/36/92/1019093692.db2.gz VJBWKABYZRQVQE-YXWAVELNSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000708511466 1019098013 /nfs/dbraw/zinc/09/80/13/1019098013.db2.gz OGZRDASMRPATFX-NZSAHSFTSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172876602 1033449166 /nfs/dbraw/zinc/44/91/66/1033449166.db2.gz GUKVDGQRRLIXEI-ZNMIVQPWSA-N 2 0 324.921 3.704 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624528 1032808738 /nfs/dbraw/zinc/80/87/38/1032808738.db2.gz VGFCVKWHXDJUEU-IAGOWNOFSA-N 2 0 304.453 3.923 20 0 DHADRP COc1ccc([C@@H](C)[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923301562 1019121655 /nfs/dbraw/zinc/12/16/55/1019121655.db2.gz WOZNKATUAWJGJZ-DUZACMNTSA-N 2 0 302.462 3.609 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000635006287 1019131753 /nfs/dbraw/zinc/13/17/53/1019131753.db2.gz LWKMUJNKPNSMSE-LALPHHSUSA-N 2 0 310.894 3.984 20 0 DHADRP Clc1cc2cccnc2c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666997005 1032810668 /nfs/dbraw/zinc/81/06/68/1032810668.db2.gz QYRHOUCEFKCKRB-INIZCTEOSA-N 2 0 315.848 3.653 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC2Cc3ccccc3C2)CC1(C)C ZINC001171627145 1032811778 /nfs/dbraw/zinc/81/17/78/1032811778.db2.gz LWZSFNVMLNCLCU-UHFFFAOYSA-N 2 0 300.490 3.642 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]C(C2CCC2)C2CCC2)ccc1F ZINC000338778010 1019189954 /nfs/dbraw/zinc/18/99/54/1019189954.db2.gz ONKVBJJHZCHVAT-UHFFFAOYSA-N 2 0 304.453 3.946 20 0 DHADRP c1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(OC2CCCC2)c1 ZINC000666998293 1032815005 /nfs/dbraw/zinc/81/50/05/1032815005.db2.gz MMPFBWZDRDDAAD-KRWDZBQOSA-N 2 0 314.473 3.772 20 0 DHADRP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000921981803 1019256664 /nfs/dbraw/zinc/25/66/64/1019256664.db2.gz XKSHJTIVEMXXSG-MUQADHOPSA-N 2 0 310.551 3.903 20 0 DHADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657859315 1019347615 /nfs/dbraw/zinc/34/76/15/1019347615.db2.gz SJVHFMRHZKKKGB-RBUKOAKNSA-N 2 0 318.530 3.774 20 0 DHADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090218295 1019385427 /nfs/dbraw/zinc/38/54/27/1019385427.db2.gz NIIOQUMNZYDOSD-XLIONFOSSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1(C)C ZINC001171639320 1032833907 /nfs/dbraw/zinc/83/39/07/1032833907.db2.gz FMJCHYSNZFEFFK-MRXNPFEDSA-N 2 0 315.505 3.912 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2cnc(C)nc2C)CC1 ZINC000681662811 1019585726 /nfs/dbraw/zinc/58/57/26/1019585726.db2.gz JKGOVKKZKNGIPX-MRXNPFEDSA-N 2 0 318.509 3.598 20 0 DHADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(C(F)(F)F)c1 ZINC001143455750 1019615820 /nfs/dbraw/zinc/61/58/20/1019615820.db2.gz XUNNGEBFYHAIJP-UHFFFAOYSA-N 2 0 314.395 3.787 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)C1CC[NH+](C)CC1 ZINC000164826804 1019647288 /nfs/dbraw/zinc/64/72/88/1019647288.db2.gz WHCUNMQDJZTQKS-INIZCTEOSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657872203 1019682711 /nfs/dbraw/zinc/68/27/11/1019682711.db2.gz OUKZQSRXTHERPL-CYBMUJFWSA-N 2 0 303.475 3.679 20 0 DHADRP C[C@H]1C[C@H](n2cc(C[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171727795 1032847887 /nfs/dbraw/zinc/84/78/87/1032847887.db2.gz YJNZPCJDHHCNRS-LPHOPBHVSA-N 2 0 319.452 3.936 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000532225951 1019788891 /nfs/dbraw/zinc/78/88/91/1019788891.db2.gz AINZTAQINFLOTG-DOMZBBRYSA-N 2 0 310.894 3.808 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1Cl ZINC000166777651 1019816886 /nfs/dbraw/zinc/81/68/86/1019816886.db2.gz JIWKFIZZIIXWLT-ARFHVFGLSA-N 2 0 322.880 3.714 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001168710091 1019820987 /nfs/dbraw/zinc/82/09/87/1019820987.db2.gz XCTWDNYREWSOFA-QGZVFWFLSA-N 2 0 318.892 3.661 20 0 DHADRP CCCC[C@H](CC)CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457468 1019835676 /nfs/dbraw/zinc/83/56/76/1019835676.db2.gz COJJUWHOJUKYLA-AZUAARDMSA-N 2 0 323.569 3.693 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000685455678 1019837172 /nfs/dbraw/zinc/83/71/72/1019837172.db2.gz IIXWFQBZERYUGR-UQHVZDHRSA-N 2 0 308.416 3.531 20 0 DHADRP CCCOc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000685463182 1019843290 /nfs/dbraw/zinc/84/32/90/1019843290.db2.gz YMFZDJDEOQXJSR-IBGZPJMESA-N 2 0 316.489 3.639 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC000708563980 1019881599 /nfs/dbraw/zinc/88/15/99/1019881599.db2.gz RBKIUFGFGQXFFC-PXNSSMCTSA-N 2 0 300.490 3.924 20 0 DHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2ccoc2)CC1 ZINC000730108500 1019945606 /nfs/dbraw/zinc/94/56/06/1019945606.db2.gz NUZUMQZLGGYXTF-UHFFFAOYSA-N 2 0 318.848 3.935 20 0 DHADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001168596245 1019979495 /nfs/dbraw/zinc/97/94/95/1019979495.db2.gz HORQPHMWAMSDRC-BZSNNMDCSA-N 2 0 316.493 3.523 20 0 DHADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001168596247 1019979619 /nfs/dbraw/zinc/97/96/19/1019979619.db2.gz HORQPHMWAMSDRC-KSZLIROESA-N 2 0 316.493 3.523 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000657933931 1020007243 /nfs/dbraw/zinc/00/72/43/1020007243.db2.gz YMLXMEUGRZYQJJ-HLIUYOAVSA-N 2 0 301.434 3.599 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1(C)C ZINC001171780348 1032868243 /nfs/dbraw/zinc/86/82/43/1032868243.db2.gz HXNGDVSKWRJEJY-AWEZNQCLSA-N 2 0 304.453 3.534 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000158244657 1020016630 /nfs/dbraw/zinc/01/66/30/1020016630.db2.gz AINZTAQINFLOTG-SWLSCSKDSA-N 2 0 310.894 3.808 20 0 DHADRP CCC[C@H](C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000858381431 1032868706 /nfs/dbraw/zinc/86/87/06/1032868706.db2.gz PZFASINPWJUAGS-RAUXBKROSA-N 2 0 324.553 3.949 20 0 DHADRP COCCC(C)(C)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183934646 1020025956 /nfs/dbraw/zinc/02/59/56/1020025956.db2.gz LQMRUVPQCGSGAJ-OAHLLOKOSA-N 2 0 315.461 3.894 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C(F)(F)F)CC3)CC2)C1 ZINC000671768079 1020027406 /nfs/dbraw/zinc/02/74/06/1020027406.db2.gz NKQKYYONYHIZQM-HIFRSBDPSA-N 2 0 318.427 3.962 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3)CCC2)CC1 ZINC000132080471 1020036193 /nfs/dbraw/zinc/03/61/93/1020036193.db2.gz QXZWUOCEBSVYEV-UHFFFAOYSA-N 2 0 304.453 3.711 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657966750 1020042038 /nfs/dbraw/zinc/04/20/38/1020042038.db2.gz IUSBKTCWHZJKLG-UHOSZYNNSA-N 2 0 318.530 3.772 20 0 DHADRP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658076555 1020120917 /nfs/dbraw/zinc/12/09/17/1020120917.db2.gz KYQQXLKDYZIHKR-GOSISDBHSA-N 2 0 304.453 3.611 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)C[NH+]1CCCC1 ZINC000731677459 1020136796 /nfs/dbraw/zinc/13/67/96/1020136796.db2.gz RBDGCSUKVZJCEV-MRXNPFEDSA-N 2 0 316.489 3.612 20 0 DHADRP COCCCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC001119953947 1020241423 /nfs/dbraw/zinc/24/14/23/1020241423.db2.gz LRALNGTWUGFPTE-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP COc1ccc([C@@H](NCC[C@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000658235017 1020258402 /nfs/dbraw/zinc/25/84/02/1020258402.db2.gz CILDAGRBMVFGMK-CTNGQTDRSA-N 2 0 324.468 3.859 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353587 1020319929 /nfs/dbraw/zinc/31/99/29/1020319929.db2.gz POFPJDQONPNSBJ-QGZVFWFLSA-N 2 0 315.505 3.504 20 0 DHADRP C[NH+]1CCC2(CCCN2Cc2csc(C(F)(F)F)c2)CC1 ZINC000628243866 1020399197 /nfs/dbraw/zinc/39/91/97/1020399197.db2.gz JZMJWIFCESOOJP-UHFFFAOYSA-N 2 0 318.408 3.827 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C[C@@]3(C)CCCS3)CC2)CC1 ZINC000628229987 1020422361 /nfs/dbraw/zinc/42/23/61/1020422361.db2.gz ORCUGZVXFSLYDR-DAWZGUTISA-N 2 0 310.551 3.905 20 0 DHADRP Cl/C=C/C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000903446617 1020439084 /nfs/dbraw/zinc/43/90/84/1020439084.db2.gz ZSGPTXMCDBTBPD-IKZNBADTSA-N 2 0 304.865 3.914 20 0 DHADRP c1nc(C2CCCCC2)sc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569722900 1020445182 /nfs/dbraw/zinc/44/51/82/1020445182.db2.gz DUYBEAIJHJJKJD-GOSISDBHSA-N 2 0 319.518 3.766 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474485920 1020496712 /nfs/dbraw/zinc/49/67/12/1020496712.db2.gz GVBFEKGSBOOFGX-DNDYEEKYSA-N 2 0 306.416 3.675 20 0 DHADRP C[C@@H](C[NH2+][C@@H](CCC1CCCC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000565970425 1032907621 /nfs/dbraw/zinc/90/76/21/1032907621.db2.gz BKJAMEZGYKGJHR-HKUYNNGSSA-N 2 0 323.569 3.597 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)[C@H]2CCC[C@@H]21 ZINC000569892573 1020525090 /nfs/dbraw/zinc/52/50/90/1020525090.db2.gz PXKJIWUZMVGQTR-IKGGRYGDSA-N 2 0 300.471 3.864 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(O)c2)CC1)CC1CC1 ZINC000537755637 1032909415 /nfs/dbraw/zinc/90/94/15/1032909415.db2.gz NSESAYPMDMMYTJ-UHFFFAOYSA-N 2 0 316.489 3.726 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000474888960 1020560793 /nfs/dbraw/zinc/56/07/93/1020560793.db2.gz QIVYZVSXVXRKJV-WLYUNCDWSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000734507984 1020618133 /nfs/dbraw/zinc/61/81/33/1020618133.db2.gz AVSXKBSDKADQSH-QGZVFWFLSA-N 2 0 318.505 3.933 20 0 DHADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCC(C)(C)C[NH+](C)C ZINC001168769578 1020673933 /nfs/dbraw/zinc/67/39/33/1020673933.db2.gz RDUVYRCURURMIZ-UHFFFAOYSA-N 2 0 317.521 3.981 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000414064583 1020835664 /nfs/dbraw/zinc/83/56/64/1020835664.db2.gz NNEJUWPKDHMWJQ-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP Cc1nccn1CC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414067225 1020838714 /nfs/dbraw/zinc/83/87/14/1020838714.db2.gz HUHYTWYZAPIAAX-NVXWUHKLSA-N 2 0 303.837 3.771 20 0 DHADRP CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000766224891 1020843945 /nfs/dbraw/zinc/84/39/45/1020843945.db2.gz NASLHDHJVMHPCM-QGPMSJSTSA-N 2 0 322.518 3.562 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171962166 1032934643 /nfs/dbraw/zinc/93/46/43/1032934643.db2.gz CIEJVNIXQZCWHG-SQNIBIBYSA-N 2 0 304.453 3.910 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000414075720 1020849768 /nfs/dbraw/zinc/84/97/68/1020849768.db2.gz XPENVWZUOMQLQA-CQSZACIVSA-N 2 0 304.478 3.963 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414106427 1020894557 /nfs/dbraw/zinc/89/45/57/1020894557.db2.gz QWMCUGFMLZAAAY-WMZOPIPTSA-N 2 0 304.865 3.828 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000926738936 1020903419 /nfs/dbraw/zinc/90/34/19/1020903419.db2.gz WUHIRNAGHXWYAU-CYBMUJFWSA-N 2 0 307.309 3.670 20 0 DHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261916851 1020905698 /nfs/dbraw/zinc/90/56/98/1020905698.db2.gz HCYMMGBEWBSLMY-SCRDCRAPSA-N 2 0 316.367 3.705 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1C[C@@H]1C ZINC000414150707 1020943095 /nfs/dbraw/zinc/94/30/95/1020943095.db2.gz PJMIOXJCVXMAKM-BEVDRBHNSA-N 2 0 316.489 3.684 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000174076128 1020953652 /nfs/dbraw/zinc/95/36/52/1020953652.db2.gz AKWRFQIGZPVRGE-ZNDGOPKYSA-N 2 0 321.468 3.928 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000668818305 1020959059 /nfs/dbraw/zinc/95/90/59/1020959059.db2.gz GIUKJKXHEZKGKR-FXAWDEMLSA-N 2 0 300.490 3.577 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000414173109 1020960189 /nfs/dbraw/zinc/96/01/89/1020960189.db2.gz GERPCGFRFICDEE-KGLIPLIRSA-N 2 0 312.404 3.671 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000537936359 1032946394 /nfs/dbraw/zinc/94/63/94/1032946394.db2.gz OGZPBUQSZGJBLE-RSPOEFSDSA-N 2 0 322.537 3.823 20 0 DHADRP COCCC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000414175968 1020964522 /nfs/dbraw/zinc/96/45/22/1020964522.db2.gz HTOWSXXRZYEBKL-APWZRJJASA-N 2 0 322.468 3.615 20 0 DHADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000414187390 1020977203 /nfs/dbraw/zinc/97/72/03/1020977203.db2.gz PUEUIAFSCDQUEZ-LLVKDONJSA-N 2 0 300.431 3.512 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000414191476 1020977760 /nfs/dbraw/zinc/97/77/60/1020977760.db2.gz SNSWOWHHOAXZMV-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000171126315 1020978023 /nfs/dbraw/zinc/97/80/23/1020978023.db2.gz GICFHWUKDSVALV-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414190527 1020979362 /nfs/dbraw/zinc/97/93/62/1020979362.db2.gz RUWSVUAEJWDXIC-IAGOWNOFSA-N 2 0 304.478 3.856 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCC[C@@H]4C[C@@H]42)C3)cc1 ZINC000414206078 1020994090 /nfs/dbraw/zinc/99/40/90/1020994090.db2.gz JECZYLHNVJFYBS-COXXTLHVSA-N 2 0 310.485 3.960 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000414228000 1021016285 /nfs/dbraw/zinc/01/62/85/1021016285.db2.gz DCACWHBZYMMCNZ-FVCZOJIISA-N 2 0 322.537 3.823 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000414230009 1021016829 /nfs/dbraw/zinc/01/68/29/1021016829.db2.gz NIWBHROXTDFNBU-MDZRGWNJSA-N 2 0 318.530 3.566 20 0 DHADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000180024458 1021034443 /nfs/dbraw/zinc/03/44/43/1021034443.db2.gz OYFNNXUOXBNGEJ-HNNXBMFYSA-N 2 0 312.461 3.555 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSc2ccccc2F)[C@H](C)C1 ZINC000175721766 1021069413 /nfs/dbraw/zinc/06/94/13/1021069413.db2.gz YDYPEVPPQLJOGE-ZBFHGGJFSA-N 2 0 310.482 3.580 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]3c3ccco3)CC2)C1 ZINC000414338270 1021109660 /nfs/dbraw/zinc/10/96/60/1021109660.db2.gz LRXAEEZEQOAPHM-BZZMCLGOSA-N 2 0 302.462 3.768 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647535646 1021131199 /nfs/dbraw/zinc/13/11/99/1021131199.db2.gz MFFZNAHLWCSCKG-LLVKDONJSA-N 2 0 318.795 3.502 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1C(F)(F)F ZINC000414360516 1021132677 /nfs/dbraw/zinc/13/26/77/1021132677.db2.gz QTZPOXXNAABBFW-TZMCWYRMSA-N 2 0 300.368 3.586 20 0 DHADRP CC[C@@H](C)Oc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC ZINC000647541409 1021142162 /nfs/dbraw/zinc/14/21/62/1021142162.db2.gz XCQBPCHPCZDEGM-NVXWUHKLSA-N 2 0 320.477 3.576 20 0 DHADRP CCCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970577 1032957298 /nfs/dbraw/zinc/95/72/98/1032957298.db2.gz DFMPJOQPWCWGRE-RTBURBONSA-N 2 0 318.505 3.570 20 0 DHADRP Clc1cc(Cl)cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549735 1021156595 /nfs/dbraw/zinc/15/65/95/1021156595.db2.gz OOJWWNYNJTYLLB-XJKCOSOUSA-N 2 0 313.272 3.514 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973064 1032957772 /nfs/dbraw/zinc/95/77/72/1032957772.db2.gz VQRFULIODORVFD-LPHOPBHVSA-N 2 0 324.472 3.570 20 0 DHADRP CCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971377 1032958463 /nfs/dbraw/zinc/95/84/63/1032958463.db2.gz HLJKFLVTKMATFD-LJQANCHMSA-N 2 0 318.505 3.836 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(s1)CCCC2 ZINC000251424908 1021226199 /nfs/dbraw/zinc/22/61/99/1021226199.db2.gz IAAJMFNEVPUGDD-BPUTZDHNSA-N 2 0 304.503 3.904 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251496916 1021228878 /nfs/dbraw/zinc/22/88/78/1021228878.db2.gz KCZVPSFPMRDSSZ-SCRDCRAPSA-N 2 0 300.368 3.826 20 0 DHADRP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000605593091 1021268351 /nfs/dbraw/zinc/26/83/51/1021268351.db2.gz YQCXSEJRKDDYIZ-INIZCTEOSA-N 2 0 306.494 3.931 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000537967510 1032965161 /nfs/dbraw/zinc/96/51/61/1032965161.db2.gz MBRILPCAZWKUIP-BQFCYCMXSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924650777 1032975559 /nfs/dbraw/zinc/97/55/59/1032975559.db2.gz WXFZIKRLHJJBPT-UWVGGRQHSA-N 2 0 303.353 3.703 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCCO2 ZINC000624120842 1021405761 /nfs/dbraw/zinc/40/57/61/1021405761.db2.gz ICZFTIWCZRCRHN-AEFFLSMTSA-N 2 0 302.462 3.530 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000129452299 1021489287 /nfs/dbraw/zinc/48/92/87/1021489287.db2.gz MPBZAKMIMZWVCP-RISCZKNCSA-N 2 0 301.261 3.608 20 0 DHADRP Cc1cccnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000093190388 1021525510 /nfs/dbraw/zinc/52/55/10/1021525510.db2.gz VGEYQECJGINASW-GOSISDBHSA-N 2 0 315.505 3.867 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850430442 1021528253 /nfs/dbraw/zinc/52/82/53/1021528253.db2.gz KTHJQYWGQUSWJT-OAHLLOKOSA-N 2 0 314.473 3.679 20 0 DHADRP CCC[N@H+](Cc1sc(C2CC[NH2+]CC2)nc1C)[C@H](C)CC ZINC001204630708 1021540715 /nfs/dbraw/zinc/54/07/15/1021540715.db2.gz RVWCUBOYPIGEKD-CYBMUJFWSA-N 2 0 309.523 3.929 20 0 DHADRP CCCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850517244 1021573223 /nfs/dbraw/zinc/57/32/23/1021573223.db2.gz WZXAPLSRGGADLR-QGZVFWFLSA-N 2 0 303.494 3.852 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH2+][C@@H](C)c1cccnc1)c1cccnc1 ZINC000181649667 1021580629 /nfs/dbraw/zinc/58/06/29/1021580629.db2.gz DVACRIZGLSJNTF-IRXDYDNUSA-N 2 0 312.461 3.648 20 0 DHADRP CN1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1c1ccccc1 ZINC000556172110 1021587028 /nfs/dbraw/zinc/58/70/28/1021587028.db2.gz UGYGFTSCTYQXRQ-RCCFBDPRSA-N 2 0 316.489 3.758 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000036968416 1021634224 /nfs/dbraw/zinc/63/42/24/1021634224.db2.gz UUFILHRNCBLSFO-BLLLJJGKSA-N 2 0 308.466 3.683 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000892883941 1021664640 /nfs/dbraw/zinc/66/46/40/1021664640.db2.gz XQTFRAVEFZLTNK-UHFFFAOYSA-N 2 0 320.525 3.827 20 0 DHADRP C[NH2+]CCc1cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001172129889 1033000504 /nfs/dbraw/zinc/00/05/04/1033000504.db2.gz MCFHTPTUEYGYKK-BCDXTJNWSA-N 2 0 311.473 3.591 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCOc1cccc(Cl)c1)C2 ZINC001172102263 1033002306 /nfs/dbraw/zinc/00/23/06/1033002306.db2.gz LNDCVZJAXSVKRP-OSYLJGHBSA-N 2 0 322.880 3.714 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c(C[NH3+])cc3cc(Cl)ccc31)C2 ZINC001172102178 1033005910 /nfs/dbraw/zinc/00/59/10/1033005910.db2.gz KNNIREJEZJMUMI-MUJYYYPQSA-N 2 0 317.864 3.941 20 0 DHADRP CCCC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236767538 1021774439 /nfs/dbraw/zinc/77/44/39/1021774439.db2.gz PMHGUBZHFMFVAV-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCc3ccccc32)[C@@H](C)C1 ZINC000538195913 1033008508 /nfs/dbraw/zinc/00/85/08/1033008508.db2.gz YMWJYJJMKODECO-FFZOFVMBSA-N 2 0 300.490 3.601 20 0 DHADRP c1cc2cnccc2c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000183359373 1021836940 /nfs/dbraw/zinc/83/69/40/1021836940.db2.gz XVIYNVYPVLAPKO-KRWDZBQOSA-N 2 0 309.457 3.543 20 0 DHADRP [NH3+]CC[C@@H]1CCCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000261996352 1021861508 /nfs/dbraw/zinc/86/15/08/1021861508.db2.gz ULSLECROLMDWHX-INIZCTEOSA-N 2 0 319.836 3.698 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1cccc3ccccc31)C2 ZINC001172107554 1033013437 /nfs/dbraw/zinc/01/34/37/1033013437.db2.gz ZPTVJWZJXLWSIL-REPLKXPHSA-N 2 0 324.468 3.824 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000394417958 1021893014 /nfs/dbraw/zinc/89/30/14/1021893014.db2.gz DWRPFPSYIQUEAR-TZIWHRDSSA-N 2 0 324.468 3.825 20 0 DHADRP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000556868809 1021907360 /nfs/dbraw/zinc/90/73/60/1021907360.db2.gz WEJRTWZZJMJQHM-QRVBRYPASA-N 2 0 316.489 3.746 20 0 DHADRP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000556868808 1021908664 /nfs/dbraw/zinc/90/86/64/1021908664.db2.gz WEJRTWZZJMJQHM-OTWHNJEPSA-N 2 0 316.489 3.746 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(OC(C)C)c1 ZINC000556868953 1021910635 /nfs/dbraw/zinc/91/06/35/1021910635.db2.gz YWTJXFLKBDBUFQ-OTWHNJEPSA-N 2 0 316.489 3.745 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000556880928 1021923642 /nfs/dbraw/zinc/92/36/42/1021923642.db2.gz ZGLLUDQMWRMXII-AUEKSGIPSA-N 2 0 320.427 3.673 20 0 DHADRP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001172113653 1033015754 /nfs/dbraw/zinc/01/57/54/1033015754.db2.gz FECXOQDHKWDGJX-BCDXTJNWSA-N 2 0 324.468 3.953 20 0 DHADRP C[C@@H]([NH2+]CCc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153021447 1021927382 /nfs/dbraw/zinc/92/73/82/1021927382.db2.gz RIRWZLXJHQDZGV-QGZVFWFLSA-N 2 0 312.457 3.520 20 0 DHADRP C[C@@H](c1ccccn1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619970207 1021988935 /nfs/dbraw/zinc/98/89/35/1021988935.db2.gz ZZKSXBQTBGEABO-KRWDZBQOSA-N 2 0 301.478 3.731 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1-c1cccnc1)C2 ZINC001172112619 1033021038 /nfs/dbraw/zinc/02/10/38/1033021038.db2.gz YHRPQOVLBLQHNB-OWZKRDHZSA-N 2 0 321.468 3.854 20 0 DHADRP CC[NH+](CC)CCCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000191819052 1022004796 /nfs/dbraw/zinc/00/47/96/1022004796.db2.gz VBLCCQBMEQAONN-UHFFFAOYSA-N 2 0 322.468 3.539 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1 ZINC000925476385 1022025628 /nfs/dbraw/zinc/02/56/28/1022025628.db2.gz BDDLOYSSUQZXFU-SFHVURJKSA-N 2 0 304.384 3.577 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851919333 1022040209 /nfs/dbraw/zinc/04/02/09/1022040209.db2.gz IJSNIQGIUTYRDT-UHFFFAOYSA-N 2 0 307.457 3.555 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000125887878 1033028709 /nfs/dbraw/zinc/02/87/09/1033028709.db2.gz UERUAPDGQRBFFU-UHFFFAOYSA-N 2 0 319.880 3.828 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H](C)SC)ccc1OC ZINC000183378109 1022122994 /nfs/dbraw/zinc/12/29/94/1022122994.db2.gz NMIUMGDAIJEOGD-CABCVRRESA-N 2 0 324.534 3.939 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CSc3ccccc3C2)C[C@@](C)(C[NH3+])C1 ZINC001172188047 1033032267 /nfs/dbraw/zinc/03/22/67/1033032267.db2.gz PSWFEIJGYHKMPM-JTDSTZFVSA-N 2 0 318.530 3.837 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H]1CCC[NH3+] ZINC000852760024 1022170972 /nfs/dbraw/zinc/17/09/72/1022170972.db2.gz UHUXACNRWBAHKZ-DGCLKSJQSA-N 2 0 316.276 3.728 20 0 DHADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cnc1F ZINC000893189694 1022196888 /nfs/dbraw/zinc/19/68/88/1022196888.db2.gz RKAHONIAIQYNRP-UHFFFAOYSA-N 2 0 319.468 3.662 20 0 DHADRP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001169049437 1022228842 /nfs/dbraw/zinc/22/88/42/1022228842.db2.gz HRZXRUGLGRYWEH-PMACEKPBSA-N 2 0 302.506 3.965 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](C)CCC2=C(C)C)CC1 ZINC000924661819 1033038724 /nfs/dbraw/zinc/03/87/24/1033038724.db2.gz UAMQQUVEKKLKLM-UYAOXDASSA-N 2 0 321.553 3.519 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1F)C1CCC1)C2 ZINC001169100534 1022247323 /nfs/dbraw/zinc/24/73/23/1022247323.db2.gz KRLZHAYKDWVJJC-OAFZBRQQSA-N 2 0 302.437 3.882 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101308 1022247782 /nfs/dbraw/zinc/24/77/82/1022247782.db2.gz RAIKZWQIFGYREG-RDGPPVDQSA-N 2 0 302.437 3.882 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C/C(=C/F)CCc1ccc(F)cc1)C2 ZINC001169102088 1022248410 /nfs/dbraw/zinc/24/84/10/1022248410.db2.gz WZOJOWDIKURFLB-LIJOYRMGSA-N 2 0 320.427 3.827 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3ccc(Cl)cc31)C2 ZINC001169118352 1022257563 /nfs/dbraw/zinc/25/75/63/1022257563.db2.gz HVKPUGFICNNRPP-ZSHCYNCHSA-N 2 0 317.864 3.594 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3cccc(Cl)c3)CC1)C2 ZINC001169116639 1022259201 /nfs/dbraw/zinc/25/92/01/1022259201.db2.gz RMPRETSLCRWUSP-NNZMDNLPSA-N 2 0 318.892 3.878 20 0 DHADRP CCOCCC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000925536853 1022269464 /nfs/dbraw/zinc/26/94/64/1022269464.db2.gz HPUONOAULVKMSB-QGZVFWFLSA-N 2 0 318.505 3.996 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC2)ccc1OC ZINC000182231086 1022271467 /nfs/dbraw/zinc/27/14/67/1022271467.db2.gz PSYGHDOPIMFKEK-HUUCEWRRSA-N 2 0 304.478 3.986 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1CSc3ccccc3C1)CC2 ZINC001172208605 1033042609 /nfs/dbraw/zinc/04/26/09/1033042609.db2.gz LMYVSZLITLYCJD-KRWDZBQOSA-N 2 0 316.514 3.511 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C3CC[NH2+]CC3)c3ccccc31)C2 ZINC001169143166 1022274950 /nfs/dbraw/zinc/27/49/50/1022274950.db2.gz YSBORWPHDVNRPV-BCDXTJNWSA-N 2 0 323.484 3.906 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccc(Cl)cc3)C1)C2 ZINC001169145989 1022276864 /nfs/dbraw/zinc/27/68/64/1022276864.db2.gz NWMLQIKGESTZJB-NRSFXHEJSA-N 2 0 304.865 3.755 20 0 DHADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCc2ccc(Cl)cc21 ZINC001169155655 1022285666 /nfs/dbraw/zinc/28/56/66/1022285666.db2.gz UFSPEUVDMDLCOJ-VIBAHUMZSA-N 2 0 318.892 3.927 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(n3ccc4ccccc43)CC1)C2 ZINC001169155388 1022286128 /nfs/dbraw/zinc/28/61/28/1022286128.db2.gz OPULIQLYMMARSK-ACDBMABISA-N 2 0 323.484 3.903 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)nc2)CCC[C@H]1C[NH3+] ZINC001206003951 1022297670 /nfs/dbraw/zinc/29/76/70/1022297670.db2.gz NZBIEOUIQOICRO-LPHOPBHVSA-N 2 0 309.457 3.555 20 0 DHADRP CC[C@H](COC)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155245025 1022382979 /nfs/dbraw/zinc/38/29/79/1022382979.db2.gz SCZJTUVQDRJCLJ-QGZVFWFLSA-N 2 0 324.896 3.567 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925551264 1022384615 /nfs/dbraw/zinc/38/46/15/1022384615.db2.gz BKTWJDOQORZELU-ICSRJNTNSA-N 3 0 317.521 3.711 20 0 DHADRP CC1(C)C[N@H+](CCF)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854044559 1022398231 /nfs/dbraw/zinc/39/82/31/1022398231.db2.gz LKSSGXFBWVUOAU-GOSISDBHSA-N 2 0 304.453 3.579 20 0 DHADRP CC(C)CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000538397821 1033054866 /nfs/dbraw/zinc/05/48/66/1033054866.db2.gz CFTIPGWLUJMKQW-MSOLQXFVSA-N 2 0 310.526 3.536 20 0 DHADRP CC(=O)N1CC[C@H]([NH2+]CCC[PH+](C(C)(C)C)C(C)(C)C)C1 ZINC001169526957 1022435795 /nfs/dbraw/zinc/43/57/95/1022435795.db2.gz PBVCINZVBIVTEA-HNNXBMFYSA-N 2 0 314.454 3.666 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000620948029 1022449579 /nfs/dbraw/zinc/44/95/79/1022449579.db2.gz ACMYCEYOUMAZNF-QGZVFWFLSA-N 2 0 311.473 3.884 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CSc2ccccc2C1 ZINC001172197660 1033058307 /nfs/dbraw/zinc/05/83/07/1033058307.db2.gz MHMGVAMUJBTBGV-BRWVUGGUSA-N 2 0 304.503 3.684 20 0 DHADRP C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272175962 1022493859 /nfs/dbraw/zinc/49/38/59/1022493859.db2.gz JBNBCYRTMUIOLI-CRAIPNDOSA-N 2 0 300.471 3.748 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000156876283 1022501903 /nfs/dbraw/zinc/50/19/03/1022501903.db2.gz YAUGYUOAILXJGD-WFASDCNBSA-N 2 0 315.288 3.998 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000272574520 1022508475 /nfs/dbraw/zinc/50/84/75/1022508475.db2.gz PQJCZUADEDPOOE-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1C ZINC001172247513 1033066174 /nfs/dbraw/zinc/06/61/74/1033066174.db2.gz KOWBTLLVXUIKFX-LJQANCHMSA-N 2 0 304.478 3.537 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000158140009 1022606663 /nfs/dbraw/zinc/60/66/63/1022606663.db2.gz OEZWYXASHHCNIG-HZPDHXFCSA-N 2 0 312.457 3.841 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(F)c1 ZINC001172246145 1033067153 /nfs/dbraw/zinc/06/71/53/1033067153.db2.gz GFOLZTKIZAAMEF-IBGZPJMESA-N 2 0 322.468 3.757 20 0 DHADRP C[N@H+](CCC1CCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000660165867 1022611650 /nfs/dbraw/zinc/61/16/50/1022611650.db2.gz IHUBJNGUZHVAAI-UHFFFAOYSA-N 2 0 301.478 3.810 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000584720074 1022660611 /nfs/dbraw/zinc/66/06/11/1022660611.db2.gz RAIQAJTUXSQYQX-JSGCOSHPSA-N 2 0 315.288 3.985 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334844 1022691772 /nfs/dbraw/zinc/69/17/72/1022691772.db2.gz RURYCOWXPYXXAN-QSPRXWTASA-N 2 0 304.503 3.847 20 0 DHADRP CCC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccn1 ZINC000159147827 1022692669 /nfs/dbraw/zinc/69/26/69/1022692669.db2.gz ARJUPIQZIPMNIN-GOSISDBHSA-N 2 0 315.436 3.913 20 0 DHADRP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)C ZINC000417383189 1022718047 /nfs/dbraw/zinc/71/80/47/1022718047.db2.gz WXBFVACBPCEGPZ-HOJAQTOUSA-N 2 0 318.505 3.548 20 0 DHADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC001207485188 1022839964 /nfs/dbraw/zinc/83/99/64/1022839964.db2.gz UBRJRTWKSJUZAS-INIZCTEOSA-N 2 0 306.881 3.861 20 0 DHADRP C[NH+]1CCC(CC[N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001207485266 1022845012 /nfs/dbraw/zinc/84/50/12/1022845012.db2.gz VXBKAQFLMSRATM-SFHVURJKSA-N 2 0 304.503 3.508 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000621775522 1022868408 /nfs/dbraw/zinc/86/84/08/1022868408.db2.gz QVHXCGGCWKATSL-LEWJYISDSA-N 2 0 323.484 3.562 20 0 DHADRP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000162507608 1022878113 /nfs/dbraw/zinc/87/81/13/1022878113.db2.gz VTAWKUXNQLMRRT-HNNXBMFYSA-N 2 0 324.534 3.637 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000159313272 1022900300 /nfs/dbraw/zinc/90/03/00/1022900300.db2.gz CAGQESLEKJTWAH-YJBOKZPZSA-N 2 0 304.453 3.567 20 0 DHADRP C[C@@H](Cc1ccco1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397598447 1022917201 /nfs/dbraw/zinc/91/72/01/1022917201.db2.gz RPRKFZMMSBQPSQ-KRWDZBQOSA-N 2 0 312.457 3.712 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000414929675 1022926994 /nfs/dbraw/zinc/92/69/94/1022926994.db2.gz RWJUOLXRJWXQBC-VXGBXAGGSA-N 2 0 306.759 3.718 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001172326156 1033089734 /nfs/dbraw/zinc/08/97/34/1033089734.db2.gz CDNPJXVQAKSURX-IAGOWNOFSA-N 2 0 310.526 3.824 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1SC ZINC000165319009 1022979022 /nfs/dbraw/zinc/97/90/22/1022979022.db2.gz QIPZIMUQKRUPGB-CABCVRRESA-N 2 0 322.518 3.800 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296048871 1023002828 /nfs/dbraw/zinc/00/28/28/1023002828.db2.gz UZAGEQLIRVDVOR-BPIHKTFHSA-N 2 0 316.489 3.997 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043715 1023003946 /nfs/dbraw/zinc/00/39/46/1023003946.db2.gz IMMMMPBZFJDTDT-VXGBXAGGSA-N 2 0 300.368 3.800 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622043801 1023005381 /nfs/dbraw/zinc/00/53/81/1023005381.db2.gz MMSGDFLWJYJWMP-HUUCEWRRSA-N 2 0 312.379 3.944 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000651491436 1023039160 /nfs/dbraw/zinc/03/91/60/1023039160.db2.gz NAEGHFUPMOLONV-SFHVURJKSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c2ccccc12 ZINC001212335549 1023039896 /nfs/dbraw/zinc/03/98/96/1023039896.db2.gz DJDSUZWCIZFVEV-IBGZPJMESA-N 2 0 324.428 3.501 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001167754590 1023049601 /nfs/dbraw/zinc/04/96/01/1023049601.db2.gz ZNBOCBAHTAAADG-LPHOPBHVSA-N 2 0 301.478 3.788 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192729078 1023054448 /nfs/dbraw/zinc/05/44/48/1023054448.db2.gz RZBFXJXDGLKUMZ-ALOPSCKCSA-N 2 0 322.880 3.632 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC(C)(C)O3)CC2)C1 ZINC000249872326 1023063551 /nfs/dbraw/zinc/06/35/51/1023063551.db2.gz GJTWAUUWDRZZRN-BPQIPLTHSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000364349290 1023068085 /nfs/dbraw/zinc/06/80/85/1023068085.db2.gz XCHMSVFPVYACJH-OALUTQOASA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCCSC1 ZINC000769028159 1023072127 /nfs/dbraw/zinc/07/21/27/1023072127.db2.gz DETLLVAAVJRIIG-OGWHTMIXSA-N 2 0 318.530 3.628 20 0 DHADRP c1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250540727 1023086767 /nfs/dbraw/zinc/08/67/67/1023086767.db2.gz RKUUDFRMUZXFSM-KZNAEPCWSA-N 2 0 304.503 3.679 20 0 DHADRP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000769233882 1023103504 /nfs/dbraw/zinc/10/35/04/1023103504.db2.gz RFJUJENHNZUUER-UHFFFAOYSA-N 2 0 312.457 3.697 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccnc(F)c2)CC1)CC(C)C ZINC000859224881 1033106366 /nfs/dbraw/zinc/10/63/66/1033106366.db2.gz NNHDIPKGHCLSTD-UHFFFAOYSA-N 2 0 321.484 3.801 20 0 DHADRP CCCCCC[C@H](CCC)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172377923 1033112476 /nfs/dbraw/zinc/11/24/76/1033112476.db2.gz FOIJROMWLNOHIA-SFHVURJKSA-N 2 0 311.558 3.741 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000876632832 1033112793 /nfs/dbraw/zinc/11/27/93/1033112793.db2.gz YAVYMWBUZUQONT-UHFFFAOYSA-N 2 0 315.436 3.538 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000319612527 1023232718 /nfs/dbraw/zinc/23/27/18/1023232718.db2.gz LPJBZOHICCNMBG-KCXAZCMYSA-N 2 0 312.379 3.827 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000769876896 1023239096 /nfs/dbraw/zinc/23/90/96/1023239096.db2.gz UXXOUHIJBOPMEW-LSDHHAIUSA-N 2 0 307.482 3.708 20 0 DHADRP [NH3+]CC1(F)CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001222533445 1023244492 /nfs/dbraw/zinc/24/44/92/1023244492.db2.gz ZIQMWHKBORSILP-UHFFFAOYSA-N 2 0 322.371 3.561 20 0 DHADRP C[Si](C)(CC[NH2+]C1(C2CC2)CC1)CC[NH2+]C1(C2CC2)CC1 ZINC000859247135 1033111586 /nfs/dbraw/zinc/11/15/86/1033111586.db2.gz PCBLIYITWQUJIU-UHFFFAOYSA-N 2 0 306.570 3.759 20 0 DHADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925701988 1023277137 /nfs/dbraw/zinc/27/71/37/1023277137.db2.gz IYFKLZZFGCLYBX-SOUVJXGZSA-N 2 0 319.320 3.718 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccccc1 ZINC000925705444 1023294884 /nfs/dbraw/zinc/29/48/84/1023294884.db2.gz JCBOUYMMIHJOSY-SJORKVTESA-N 2 0 304.503 3.590 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000337654108 1033121283 /nfs/dbraw/zinc/12/12/83/1033121283.db2.gz DIVCWRCJLYJPEH-SFHVURJKSA-N 2 0 316.395 3.804 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000825893045 1033125169 /nfs/dbraw/zinc/12/51/69/1033125169.db2.gz NEJFAQHQAYGDLK-JXFKEZNVSA-N 2 0 318.424 3.850 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172341583 1033126430 /nfs/dbraw/zinc/12/64/30/1033126430.db2.gz HGBXCMAAPDZIQN-BZSNNMDCSA-N 2 0 306.494 3.677 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172341438 1033126992 /nfs/dbraw/zinc/12/69/92/1033126992.db2.gz ZXJZUKAOWBTMLM-CVEARBPZSA-N 2 0 322.468 3.669 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2(O)CCCCC2)CC1)CC1CC1 ZINC000771475854 1023439986 /nfs/dbraw/zinc/43/99/86/1023439986.db2.gz OLDCIJXEMOPOOD-UHFFFAOYSA-N 2 0 322.537 3.516 20 0 DHADRP c1c2cnccc2oc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000651700870 1023478296 /nfs/dbraw/zinc/47/82/96/1023478296.db2.gz XKGIHUHSYXAOHW-UHFFFAOYSA-N 2 0 301.434 3.574 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651706003 1023480969 /nfs/dbraw/zinc/48/09/69/1023480969.db2.gz OWEYXQDBGYPZRO-HNNXBMFYSA-N 2 0 310.844 3.788 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C[C@H]1C ZINC001172365553 1033144735 /nfs/dbraw/zinc/14/47/35/1033144735.db2.gz ABKDMIUEIBPXES-GPMSIDNRSA-N 2 0 318.480 3.986 20 0 DHADRP CC[N@H+](CCC[NH2+][C@H](C)CC1CCOCC1)C1CCCCC1 ZINC000651910204 1023632156 /nfs/dbraw/zinc/63/21/56/1023632156.db2.gz LBOMOUJACBLTLD-QGZVFWFLSA-N 2 0 310.526 3.826 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172371150 1033152018 /nfs/dbraw/zinc/15/20/18/1033152018.db2.gz XDWGNWZWCLZWNS-GNVJSZRZSA-N 2 0 315.505 3.978 20 0 DHADRP FCC[C@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661688664 1023687980 /nfs/dbraw/zinc/68/79/80/1023687980.db2.gz JRMYNGVEPJJESO-OEHAVNEVSA-N 2 0 314.464 3.686 20 0 DHADRP CCOCC[C@H](C)[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001172428126 1033163965 /nfs/dbraw/zinc/16/39/65/1033163965.db2.gz XZRJORLUNJSMOE-KRWDZBQOSA-N 2 0 310.526 3.636 20 0 DHADRP CCOCC[C@@H](C)[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001172429386 1033165675 /nfs/dbraw/zinc/16/56/75/1033165675.db2.gz XMZFYOXXTFGCOH-GOSISDBHSA-N 2 0 318.505 3.788 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925740048 1023846952 /nfs/dbraw/zinc/84/69/52/1023846952.db2.gz GPQHODMTQCKFLW-GFCCVEGCSA-N 2 0 303.475 3.897 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000245972404 1023896897 /nfs/dbraw/zinc/89/68/97/1023896897.db2.gz ZZZOSTPECGUDKT-HGKCTWBKSA-N 2 0 304.478 3.572 20 0 DHADRP Cc1cncc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000249041513 1023917495 /nfs/dbraw/zinc/91/74/95/1023917495.db2.gz UVPMGORQZGMBOI-WKCHPHFGSA-N 2 0 321.468 3.675 20 0 DHADRP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC001170088419 1023925215 /nfs/dbraw/zinc/92/52/15/1023925215.db2.gz SAZKJLZXFQSLDT-LJQANCHMSA-N 2 0 311.558 3.551 20 0 DHADRP CC(C)CCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001170088541 1023926885 /nfs/dbraw/zinc/92/68/85/1023926885.db2.gz UWSLLDWETYVLDN-QGZVFWFLSA-N 2 0 310.526 3.776 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)[C@@H](C)C1 ZINC000253354821 1023937054 /nfs/dbraw/zinc/93/70/54/1023937054.db2.gz MQQCCTUDXJICGA-VSZNYVQBSA-N 2 0 310.526 3.538 20 0 DHADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000796702611 1023941120 /nfs/dbraw/zinc/94/11/20/1023941120.db2.gz CGEFXPLUGFBSPF-UXHICEINSA-N 2 0 300.490 3.923 20 0 DHADRP CCCCCC[C@H](CCC)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172388481 1033174093 /nfs/dbraw/zinc/17/40/93/1033174093.db2.gz ZNZJLIGPWSATLY-FQEVSTJZSA-N 2 0 323.569 3.839 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000194352532 1023998658 /nfs/dbraw/zinc/99/86/58/1023998658.db2.gz MNAVABNZFTVAFF-UHFFFAOYSA-N 2 0 319.474 3.567 20 0 DHADRP C[NH+]1CCC(C2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC001137176775 1024018806 /nfs/dbraw/zinc/01/88/06/1024018806.db2.gz MBUOQUQRXJKUMB-UHFFFAOYSA-N 2 0 323.484 3.789 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccccc2C)C[C@@H]1C ZINC000531141209 1024032281 /nfs/dbraw/zinc/03/22/81/1024032281.db2.gz RVHLHZIASLSZEP-ZWKOTPCHSA-N 2 0 304.478 3.569 20 0 DHADRP CC(C)c1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000662281268 1024059327 /nfs/dbraw/zinc/05/93/27/1024059327.db2.gz LMHPZXLIAXDVEG-WOJBJXKFSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292268 1024074418 /nfs/dbraw/zinc/07/44/18/1024074418.db2.gz CSRBLNCPKMWASF-GDBMZVCRSA-N 2 0 319.493 3.745 20 0 DHADRP CCCCc1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294638 1024077727 /nfs/dbraw/zinc/07/77/27/1024077727.db2.gz RMVKFRNJWQCWFK-MRXNPFEDSA-N 2 0 321.534 3.697 20 0 DHADRP COc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000662295135 1024079033 /nfs/dbraw/zinc/07/90/33/1024079033.db2.gz SZUHDBKLXXJELE-OAHLLOKOSA-N 2 0 322.880 3.560 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)CC2 ZINC000662296193 1024079240 /nfs/dbraw/zinc/07/92/40/1024079240.db2.gz YRZSMIRABOAYEU-LPHOPBHVSA-N 2 0 302.437 3.525 20 0 DHADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318704 1024107458 /nfs/dbraw/zinc/10/74/58/1024107458.db2.gz DTJPRNFQOFMMHU-UKRRQHHQSA-N 2 0 314.395 3.568 20 0 DHADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318705 1024107933 /nfs/dbraw/zinc/10/79/33/1024107933.db2.gz DTJPRNFQOFMMHU-ZFWWWQNUSA-N 2 0 314.395 3.568 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000268534428 1024125262 /nfs/dbraw/zinc/12/52/62/1024125262.db2.gz GHVCGIPWQYEMAI-IBGZPJMESA-N 2 0 316.489 3.542 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000268761531 1024155476 /nfs/dbraw/zinc/15/54/76/1024155476.db2.gz HLSWVMIQEGTRQY-DLBZAZTESA-N 2 0 316.489 3.880 20 0 DHADRP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001170117849 1024163591 /nfs/dbraw/zinc/16/35/91/1024163591.db2.gz OAWXKXVJVAOYGU-HOCLYGCPSA-N 2 0 306.881 3.864 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)c2ccccc12 ZINC000268809862 1024166475 /nfs/dbraw/zinc/16/64/75/1024166475.db2.gz ARELGLUFYKHSGC-HNNXBMFYSA-N 2 0 300.446 3.841 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000268825470 1024171550 /nfs/dbraw/zinc/17/15/50/1024171550.db2.gz IYGIBAUEDLDZPL-WWGRRREGSA-N 2 0 314.395 3.566 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(OC(F)F)cc1 ZINC000268845946 1024177501 /nfs/dbraw/zinc/17/75/01/1024177501.db2.gz VGLLDPJJCCXHGB-WFASDCNBSA-N 2 0 309.360 3.614 20 0 DHADRP CC[C@@H]([NH2+]CCn1ccnc1C)c1ccc(OC(F)F)cc1 ZINC000268845750 1024177630 /nfs/dbraw/zinc/17/76/30/1024177630.db2.gz WWPDCSANCVJNOB-OAHLLOKOSA-N 2 0 309.360 3.534 20 0 DHADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cncc(F)c1 ZINC000268899493 1024191281 /nfs/dbraw/zinc/19/12/81/1024191281.db2.gz LWIQLHGAZGFTIU-MRXNPFEDSA-N 2 0 307.457 3.918 20 0 DHADRP CC(C)(C[NH2+]Cc1ccc(-n2ccnc2)cc1)CC(F)(F)F ZINC000663355366 1024199911 /nfs/dbraw/zinc/19/99/11/1024199911.db2.gz OCGNPHMDNHYUAZ-UHFFFAOYSA-N 2 0 311.351 3.941 20 0 DHADRP c1ccc2c(c1)CC[C@H]2C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000790056628 1024216661 /nfs/dbraw/zinc/21/66/61/1024216661.db2.gz WMTVGVVDDKPPJZ-IBGZPJMESA-N 2 0 321.468 3.618 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000269003758 1024218513 /nfs/dbraw/zinc/21/85/13/1024218513.db2.gz MDKPCQNNPPDCKQ-ZDUSSCGKSA-N 2 0 318.490 3.506 20 0 DHADRP CC(C)c1c[nH]c(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000883074759 1024231062 /nfs/dbraw/zinc/23/10/62/1024231062.db2.gz ICSFTJMIJUWGGO-UHFFFAOYSA-N 2 0 318.509 3.666 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000067507174 1024248231 /nfs/dbraw/zinc/24/82/31/1024248231.db2.gz MCAXHYYBIZDPDL-GOSISDBHSA-N 2 0 316.489 3.828 20 0 DHADRP CC(C)OCC[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436664 1033198214 /nfs/dbraw/zinc/19/82/14/1033198214.db2.gz GEUHAXSFUCSDON-MISYRCLQSA-N 2 0 318.505 3.962 20 0 DHADRP Cc1cc(CNC2CC[NH+](CC3CCCCC3)CC2)sn1 ZINC000876993633 1033199105 /nfs/dbraw/zinc/19/91/05/1033199105.db2.gz LYXACMZNUXDGFA-UHFFFAOYSA-N 2 0 307.507 3.586 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccncn1 ZINC000453055174 1024307175 /nfs/dbraw/zinc/30/71/75/1024307175.db2.gz DHWIXVUIQKAXHB-SJORKVTESA-N 2 0 324.472 3.559 20 0 DHADRP c1coc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453059516 1024311229 /nfs/dbraw/zinc/31/12/29/1024311229.db2.gz QLGDIEDVHYJMTM-AABGKKOBSA-N 2 0 310.441 3.812 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c2sccc21 ZINC000453108581 1024336915 /nfs/dbraw/zinc/33/69/15/1024336915.db2.gz LARYABBGKSFIOL-VYDXJSESSA-N 2 0 322.518 3.513 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000269996799 1024337806 /nfs/dbraw/zinc/33/78/06/1024337806.db2.gz WOHSYECYKMRWAV-ROUUACIJSA-N 2 0 311.473 3.810 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000453146911 1024351367 /nfs/dbraw/zinc/35/13/67/1024351367.db2.gz JDJRNXGRNPVHHD-INIZCTEOSA-N 2 0 303.494 3.645 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC000453129200 1024355984 /nfs/dbraw/zinc/35/59/84/1024355984.db2.gz XNHDBRGORZGLOJ-XLIONFOSSA-N 2 0 315.505 3.647 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccsc2)[C@@H](C)C1 ZINC000453127132 1024357598 /nfs/dbraw/zinc/35/75/98/1024357598.db2.gz QWUFJRVLKUJHBH-SZMVWBNQSA-N 2 0 324.534 3.926 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccsc2)[C@@H](C)C1 ZINC000453127126 1024357965 /nfs/dbraw/zinc/35/79/65/1024357965.db2.gz QWUFJRVLKUJHBH-JQHSSLGASA-N 2 0 324.534 3.926 20 0 DHADRP Cn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453129840 1024361373 /nfs/dbraw/zinc/36/13/73/1024361373.db2.gz KTSKQVZBGIZSPT-NJYVYQBISA-N 2 0 323.484 3.558 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001170145300 1024384907 /nfs/dbraw/zinc/38/49/07/1024384907.db2.gz UHCUXFYCWRVJJQ-IEBWSBKVSA-N 2 0 313.489 3.558 20 0 DHADRP Nc1c(F)cccc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000877019908 1033207241 /nfs/dbraw/zinc/20/72/41/1033207241.db2.gz HVWIDLLTEDIYMZ-UHFFFAOYSA-N 2 0 307.457 3.544 20 0 DHADRP FC(F)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000663463428 1024393938 /nfs/dbraw/zinc/39/39/38/1024393938.db2.gz BCOBUXZXPOJKJB-QGZVFWFLSA-N 2 0 308.416 3.760 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000270504688 1024397086 /nfs/dbraw/zinc/39/70/86/1024397086.db2.gz OEQJJLVRNJBTTK-QWRGUYRKSA-N 2 0 316.276 3.568 20 0 DHADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466897 1024408491 /nfs/dbraw/zinc/40/84/91/1024408491.db2.gz BAHMSCRNCGMHBV-PKOBYXMFSA-N 2 0 314.473 3.612 20 0 DHADRP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468961 1024413998 /nfs/dbraw/zinc/41/39/98/1024413998.db2.gz NREHJOSXGBWKHF-IRXDYDNUSA-N 2 0 306.519 3.781 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663467723 1024414852 /nfs/dbraw/zinc/41/48/52/1024414852.db2.gz HLCJVLIUPHBLQC-BLLLJJGKSA-N 2 0 307.507 3.533 20 0 DHADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467702 1024414863 /nfs/dbraw/zinc/41/48/63/1024414863.db2.gz HFNYNSRXACWJFA-WOJBJXKFSA-N 2 0 300.490 3.719 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883428602 1024434600 /nfs/dbraw/zinc/43/46/00/1024434600.db2.gz YBNIFEPQZIWAPY-OTWHNJEPSA-N 2 0 302.462 3.500 20 0 DHADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)[C@@H]1CCC[NH3+] ZINC000883435766 1024436983 /nfs/dbraw/zinc/43/69/83/1024436983.db2.gz BRHLMVRUPJSLBL-GSEOLPGOSA-N 2 0 316.489 3.746 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172456395 1033211221 /nfs/dbraw/zinc/21/12/21/1033211221.db2.gz DPMHXDHJPRIZNA-QUCCMNQESA-N 2 0 318.505 3.549 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000166075384 1024455226 /nfs/dbraw/zinc/45/52/26/1024455226.db2.gz VMKSSOSTNRDMEM-MDZRGWNJSA-N 2 0 304.478 3.509 20 0 DHADRP CC(C)OCC[C@H](C)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172459785 1033213326 /nfs/dbraw/zinc/21/33/26/1033213326.db2.gz LXBQRACBUMEGED-KRWDZBQOSA-N 2 0 310.526 3.919 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000271335104 1024491080 /nfs/dbraw/zinc/49/10/80/1024491080.db2.gz BCYVGBKGODOYAR-SOLBZPMBSA-N 2 0 303.494 3.799 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCSc2ccc(F)cc21)C1CC1 ZINC000453399268 1024499375 /nfs/dbraw/zinc/49/93/75/1024499375.db2.gz LFORGHRBMBTNAP-INIZCTEOSA-N 2 0 308.466 3.827 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000453400415 1024499859 /nfs/dbraw/zinc/49/98/59/1024499859.db2.gz MBPTYJYCOVDFEZ-UYAOXDASSA-N 2 0 300.490 3.862 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CCCO2 ZINC000453410798 1024505693 /nfs/dbraw/zinc/50/56/93/1024505693.db2.gz VGODKDIRFCDKTP-IBGZPJMESA-N 2 0 316.489 3.981 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)ccc1SC ZINC000453393719 1024509578 /nfs/dbraw/zinc/50/95/78/1024509578.db2.gz FZMFKKZSXKIBQS-AWEZNQCLSA-N 2 0 322.518 3.942 20 0 DHADRP CCC(C)(C)OCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453418353 1024509632 /nfs/dbraw/zinc/50/96/32/1024509632.db2.gz WIUPBUHLKHNMEL-MJGOQNOKSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCOC(C)(C)C3)CC2)C1 ZINC000453444439 1024516207 /nfs/dbraw/zinc/51/62/07/1024516207.db2.gz YEOIMSCZVMYZOU-AOIWGVFYSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccc(Br)c21 ZINC000643521529 1024517556 /nfs/dbraw/zinc/51/75/56/1024517556.db2.gz OKNQVIRBBGPBFS-LALPHHSUSA-N 2 0 323.278 3.729 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C1CC1 ZINC000453598581 1024538440 /nfs/dbraw/zinc/53/84/40/1024538440.db2.gz PSZALXPJAAIIHL-UHFFFAOYSA-N 2 0 318.358 3.809 20 0 DHADRP C[N@H+](CCCC[NH2+]CCCc1c(F)cccc1Cl)C1CC1 ZINC000453595770 1024539145 /nfs/dbraw/zinc/53/91/45/1024539145.db2.gz KTDIANPBNXMIPR-UHFFFAOYSA-N 2 0 312.860 3.876 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cccc(OC2CCCC2)c1)C1CC1 ZINC000453590853 1024546108 /nfs/dbraw/zinc/54/61/08/1024546108.db2.gz CAIBUTCETQVTBO-UHFFFAOYSA-N 2 0 316.489 3.972 20 0 DHADRP Cc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000532205325 1024570907 /nfs/dbraw/zinc/57/09/07/1024570907.db2.gz NGHNOWKFSCCZDO-UHFFFAOYSA-N 2 0 315.436 3.993 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000532196170 1024573624 /nfs/dbraw/zinc/57/36/24/1024573624.db2.gz HJKUBIYNOZFTKZ-DNVCBOLYSA-N 2 0 304.478 3.763 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000532201227 1024575345 /nfs/dbraw/zinc/57/53/45/1024575345.db2.gz QITMLMPYCDHYIW-ZHALLVOQSA-N 2 0 300.490 3.817 20 0 DHADRP CCSCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244452 1024590363 /nfs/dbraw/zinc/59/03/63/1024590363.db2.gz NSVLTJMXQBMZCZ-RBUKOAKNSA-N 2 0 318.530 3.726 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC001167835933 1024620430 /nfs/dbraw/zinc/62/04/30/1024620430.db2.gz WBDOJWRKSDLRSB-INIZCTEOSA-N 2 0 320.477 3.748 20 0 DHADRP CCc1cnc(CN(CC)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000348970118 1024656538 /nfs/dbraw/zinc/65/65/38/1024656538.db2.gz VBCLHVBUTMQDRI-UHFFFAOYSA-N 2 0 317.502 3.789 20 0 DHADRP CCc1ccc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000349015493 1024661729 /nfs/dbraw/zinc/66/17/29/1024661729.db2.gz YJPXGRZPTQQYAM-UHFFFAOYSA-N 2 0 311.473 3.728 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160945 1024681480 /nfs/dbraw/zinc/68/14/80/1024681480.db2.gz UONUJLCAYAQFPN-QWRGUYRKSA-N 2 0 316.276 3.568 20 0 DHADRP CC[C@H]1C[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190871 1024686648 /nfs/dbraw/zinc/68/66/48/1024686648.db2.gz FZOAPVKEZVMXGR-MKXGPGLRSA-N 2 0 308.510 3.706 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCSc2ccccc21)C[NH+]1CCCCC1 ZINC000038041687 1024718319 /nfs/dbraw/zinc/71/83/19/1024718319.db2.gz VKRICGSCJLXRIS-WBVHZDCISA-N 2 0 304.503 3.935 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)C[NH+]1CCCCC1 ZINC000038041684 1024718846 /nfs/dbraw/zinc/71/88/46/1024718846.db2.gz VKRICGSCJLXRIS-DOTOQJQBSA-N 2 0 304.503 3.935 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170249946 1024722993 /nfs/dbraw/zinc/72/29/93/1024722993.db2.gz FBHFWNTVBKJCQV-HNNXBMFYSA-N 2 0 308.897 3.981 20 0 DHADRP COC1CCC([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000666164097 1024740659 /nfs/dbraw/zinc/74/06/59/1024740659.db2.gz GIGZFVYZCMUNNX-JLAWEPINSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c1N ZINC001170330002 1024746193 /nfs/dbraw/zinc/74/61/93/1024746193.db2.gz DLFKXAZQZVQIOL-NNZMDNLPSA-N 2 0 322.456 3.580 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nccs1 ZINC000349829236 1024758012 /nfs/dbraw/zinc/75/80/12/1024758012.db2.gz HFIHOZVPIJBFNS-CQSZACIVSA-N 2 0 307.507 3.633 20 0 DHADRP C[C@@H]1[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000658354596 1024764305 /nfs/dbraw/zinc/76/43/05/1024764305.db2.gz DQVGKIOTWMSPMH-ZLGUVYLKSA-N 2 0 312.501 3.890 20 0 DHADRP Cc1[nH+]ccc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1Cl ZINC000350344214 1024806542 /nfs/dbraw/zinc/80/65/42/1024806542.db2.gz YLLWGASFAGPIOP-YDHLFZDLSA-N 2 0 307.869 3.885 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC1(F)F ZINC000666227313 1024812870 /nfs/dbraw/zinc/81/28/70/1024812870.db2.gz DYXWHRBSCSIKKD-POGJWJPPSA-N 2 0 320.427 3.815 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2c(F)cccc2F)C[C@H]1C ZINC000653564253 1024856945 /nfs/dbraw/zinc/85/69/45/1024856945.db2.gz XLTDJXWHFDHSJO-CABCVRRESA-N 2 0 310.432 3.702 20 0 DHADRP CCCCCC[C@H](CCCC)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001172516225 1033240846 /nfs/dbraw/zinc/24/08/46/1033240846.db2.gz HJPUNUHRZQUVKT-IBGZPJMESA-N 2 0 311.558 3.743 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877114673 1033243042 /nfs/dbraw/zinc/24/30/42/1033243042.db2.gz XRAUAJZOSZCCSC-UHFFFAOYSA-N 2 0 321.852 3.691 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2n1 ZINC000187347146 1024994354 /nfs/dbraw/zinc/99/43/54/1024994354.db2.gz IASWTAYPGNVUFM-FQEVSTJZSA-N 2 0 323.484 3.994 20 0 DHADRP c1ccc([C@@H]2CC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001172561313 1033255533 /nfs/dbraw/zinc/25/55/33/1033255533.db2.gz VFNKGTITIQKNLX-QUCCMNQESA-N 2 0 321.468 3.976 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000353398247 1025053842 /nfs/dbraw/zinc/05/38/42/1025053842.db2.gz ZPVPAAVIFLGXAB-LEOMRAHMSA-N 2 0 314.473 3.895 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353505040 1025100103 /nfs/dbraw/zinc/10/01/03/1025100103.db2.gz ULAYBZYNHAXTRG-DJIMGWMZSA-N 2 0 316.420 3.843 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353513081 1025102995 /nfs/dbraw/zinc/10/29/95/1025102995.db2.gz DXKNTNNDUFQQNF-SWLSCSKDSA-N 2 0 318.383 3.966 20 0 DHADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000353522217 1025107299 /nfs/dbraw/zinc/10/72/99/1025107299.db2.gz GIPYNSLRNPACGI-QAPCUYQASA-N 2 0 317.477 3.517 20 0 DHADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000539063702 1033259685 /nfs/dbraw/zinc/25/96/85/1033259685.db2.gz SATDSZLBSHZHFW-MUGJNUQGSA-N 2 0 322.537 3.559 20 0 DHADRP Cc1ccncc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000353660188 1025181350 /nfs/dbraw/zinc/18/13/50/1025181350.db2.gz MEVSRCUNVFDQJP-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP COCCCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000348327968 1025181651 /nfs/dbraw/zinc/18/16/51/1025181651.db2.gz UQQBKXHZCALVQA-OALUTQOASA-N 2 0 304.478 3.618 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353667623 1025187958 /nfs/dbraw/zinc/18/79/58/1025187958.db2.gz CNEYIYPPNCGVCV-KURKYZTESA-N 2 0 304.503 3.512 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655751384 1025195672 /nfs/dbraw/zinc/19/56/72/1025195672.db2.gz BLKSMHQQCUYYGC-FPAYPSAMSA-N 2 0 318.530 3.771 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000353746081 1025227757 /nfs/dbraw/zinc/22/77/57/1025227757.db2.gz KTIZPJQOGGXOQD-KDOFPFPSSA-N 2 0 300.446 3.903 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(SC)c(OC)c2)C[C@H]1C ZINC000353751266 1025232372 /nfs/dbraw/zinc/23/23/72/1025232372.db2.gz XKZVWPSFXVHCHB-GDBMZVCRSA-N 2 0 322.518 3.722 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000044517814 1025258961 /nfs/dbraw/zinc/25/89/61/1025258961.db2.gz SDUFRVQKVSLUSA-MRXNPFEDSA-N 2 0 308.466 3.684 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]1 ZINC000666624565 1025296153 /nfs/dbraw/zinc/29/61/53/1025296153.db2.gz TYDLUSBGOOLBAH-SOLBZPMBSA-N 2 0 311.473 3.735 20 0 DHADRP C[C@@H](c1ccsc1)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663804410 1025299922 /nfs/dbraw/zinc/29/99/22/1025299922.db2.gz LAYGINIPBYKENP-ZDUSSCGKSA-N 2 0 312.442 3.508 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000438101393 1025371455 /nfs/dbraw/zinc/37/14/55/1025371455.db2.gz AWZWPIDFELCWAU-HSALFYBXSA-N 2 0 323.569 3.551 20 0 DHADRP CCCC[C@@H](CC)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000438095979 1025372472 /nfs/dbraw/zinc/37/24/72/1025372472.db2.gz IHZQLCJDCNUQHB-UXHICEINSA-N 2 0 323.569 3.695 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000925875280 1025397060 /nfs/dbraw/zinc/39/70/60/1025397060.db2.gz FFLYIEBBSHPJNR-LNSITVRQSA-N 2 0 310.894 3.984 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875480 1025397680 /nfs/dbraw/zinc/39/76/80/1025397680.db2.gz IGBINEAHAFCCLK-RVKKMQEKSA-N 2 0 302.462 3.741 20 0 DHADRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000123778943 1025398638 /nfs/dbraw/zinc/39/86/38/1025398638.db2.gz GNOLQLXJMMRUMT-HNNXBMFYSA-N 2 0 303.837 3.528 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000885922581 1025406544 /nfs/dbraw/zinc/40/65/44/1025406544.db2.gz FIECEXIRNVYQPH-VQTJNVASSA-N 2 0 318.505 3.964 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000885953929 1025417304 /nfs/dbraw/zinc/41/73/04/1025417304.db2.gz JRHBGKSXDCWWOB-PKOBYXMFSA-N 2 0 308.510 3.578 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000348365021 1025512707 /nfs/dbraw/zinc/51/27/07/1025512707.db2.gz ZJSVYSYOCXCTLJ-FQEVSTJZSA-N 2 0 314.473 3.537 20 0 DHADRP C[C@@H]([NH2+]CCOC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127666 1025518678 /nfs/dbraw/zinc/51/86/78/1025518678.db2.gz PFHLXSQZMYKKAD-SJORKVTESA-N 2 0 308.510 3.578 20 0 DHADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[PH+](C(C)C)C(C)C)C1 ZINC001172610939 1033288409 /nfs/dbraw/zinc/28/84/09/1033288409.db2.gz WQGKPVAAPQPASK-HUUCEWRRSA-N 2 0 301.411 3.607 20 0 DHADRP C[C@H](CC[NH+]1CCC(CC[NH+](C)C)CC1)OCc1ccccc1 ZINC000354871600 1025530610 /nfs/dbraw/zinc/53/06/10/1025530610.db2.gz NGWZZZWNTJRFQA-GOSISDBHSA-N 2 0 318.505 3.646 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000886524621 1025677168 /nfs/dbraw/zinc/67/71/68/1025677168.db2.gz NPCNVKJRCLLTJE-GOSISDBHSA-N 2 0 315.436 3.616 20 0 DHADRP Fc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1C(F)F ZINC000894068651 1025684810 /nfs/dbraw/zinc/68/48/10/1025684810.db2.gz XKMBUTQCZXNQQO-UHFFFAOYSA-N 2 0 312.379 3.727 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886543651 1025689633 /nfs/dbraw/zinc/68/96/33/1025689633.db2.gz RYEPGHVSJPGGRJ-YBXZHIRMSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000132251076 1025733407 /nfs/dbraw/zinc/73/34/07/1025733407.db2.gz YRTYYKMOUKWAOW-HNNXBMFYSA-N 2 0 322.880 3.668 20 0 DHADRP C[C@@H]1C[N@H+](CCc2c(Cl)cccc2Cl)CCC[C@H]1C[NH3+] ZINC001205981960 1025746890 /nfs/dbraw/zinc/74/68/90/1025746890.db2.gz KAKTYPWHTVFRSM-OLZOCXBDSA-N 2 0 315.288 3.843 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C2([C@H]3CCCCO3)CCC2)CC1 ZINC000886648408 1025760056 /nfs/dbraw/zinc/76/00/56/1025760056.db2.gz SLELXJSCRCYGQP-JLAWEPINSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccns1 ZINC000924865360 1025780981 /nfs/dbraw/zinc/78/09/81/1025780981.db2.gz GLLFHPGSJYIFGF-CYBMUJFWSA-N 2 0 321.515 3.767 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000886720055 1025830116 /nfs/dbraw/zinc/83/01/16/1025830116.db2.gz QTMWOTMXJWKFAH-INIZCTEOSA-N 2 0 308.510 3.530 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886733014 1025849046 /nfs/dbraw/zinc/84/90/46/1025849046.db2.gz XHKAZMQQYAEXTI-JLAWEPINSA-N 2 0 320.521 3.722 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2nc(C)cs2)CC1)CC1CC1 ZINC000355899860 1025877715 /nfs/dbraw/zinc/87/77/15/1025877715.db2.gz JEHGMRXYTSCUBK-UHFFFAOYSA-N 2 0 321.534 3.786 20 0 DHADRP C[C@@H]([NH2+]CCC1(F)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000348395680 1025921163 /nfs/dbraw/zinc/92/11/63/1025921163.db2.gz JLJKAYHGYWAUBD-OAHLLOKOSA-N 2 0 308.441 3.560 20 0 DHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000089214622 1026037560 /nfs/dbraw/zinc/03/75/60/1026037560.db2.gz ZJXGAUONXCSUAG-CQSZACIVSA-N 2 0 301.459 3.710 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccccn1 ZINC000090775323 1026084893 /nfs/dbraw/zinc/08/48/93/1026084893.db2.gz OSARBJVFCVIBCR-WWDZGPRUSA-N 2 0 301.478 3.775 20 0 DHADRP CCc1cccnc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000356872749 1026203473 /nfs/dbraw/zinc/20/34/73/1026203473.db2.gz OZFXJUMHHBJRNZ-MRXNPFEDSA-N 2 0 324.472 3.606 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1O ZINC000289996984 1026274348 /nfs/dbraw/zinc/27/43/48/1026274348.db2.gz YSNBNEUAMCBJGY-HOTGVXAUSA-N 2 0 320.477 3.706 20 0 DHADRP c1ccc(-c2cccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c2)nc1 ZINC000357040686 1026290434 /nfs/dbraw/zinc/29/04/34/1026290434.db2.gz CAWZRXJNQFCYKI-FQEVSTJZSA-N 2 0 321.468 3.570 20 0 DHADRP Cc1ncoc1CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000894179296 1026329400 /nfs/dbraw/zinc/32/94/00/1026329400.db2.gz PFZPAWLDFDCLCN-HNNXBMFYSA-N 2 0 313.445 3.505 20 0 DHADRP C[C@H]1C[C@H](CC[NH2+]Cc2cccc(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000513545986 1026538111 /nfs/dbraw/zinc/53/81/11/1026538111.db2.gz URKYNWBSBBTMEY-PXNSSMCTSA-N 2 0 324.468 3.783 20 0 DHADRP Cc1ccc(CCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809738142 1026609623 /nfs/dbraw/zinc/60/96/23/1026609623.db2.gz RATOFRCJMQKWCL-UHFFFAOYSA-N 2 0 311.473 3.516 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc3cccnc32)cc1 ZINC000809738785 1026610875 /nfs/dbraw/zinc/61/08/75/1026610875.db2.gz JSEZSOSCXFGVSB-UHFFFAOYSA-N 2 0 319.452 3.928 20 0 DHADRP COc1ccccc1/C=C\C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739116 1026611479 /nfs/dbraw/zinc/61/14/79/1026611479.db2.gz XWKRCMZSAMXMNI-CLFYSBASSA-N 2 0 324.468 3.902 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000513691823 1026634294 /nfs/dbraw/zinc/63/42/94/1026634294.db2.gz WJPPQTHGNYLKHV-FGTMMUONSA-N 2 0 322.493 3.770 20 0 DHADRP CCCCCC[C@@H](CC)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001170592622 1026654272 /nfs/dbraw/zinc/65/42/72/1026654272.db2.gz LDUYWNGBBLICIM-LJQANCHMSA-N 2 0 311.558 3.695 20 0 DHADRP CCCCCC[C@H](CC)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001170602464 1026733796 /nfs/dbraw/zinc/73/37/96/1026733796.db2.gz BWYFDFHMLMEHRT-FQEVSTJZSA-N 2 0 323.569 3.695 20 0 DHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000420282421 1026796368 /nfs/dbraw/zinc/79/63/68/1026796368.db2.gz BKDWIMIHRSGYBL-ZDUSSCGKSA-N 2 0 310.869 3.686 20 0 DHADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420303589 1026798942 /nfs/dbraw/zinc/79/89/42/1026798942.db2.gz KTUNXUCQIPAGBH-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)cc1 ZINC000420302059 1026799977 /nfs/dbraw/zinc/79/99/77/1026799977.db2.gz LXEWDXQHJCYCTD-NSISKUIASA-N 2 0 324.468 3.616 20 0 DHADRP C[C@@H]1SCC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000420306602 1026800502 /nfs/dbraw/zinc/80/05/02/1026800502.db2.gz QMMKWAJSJZABST-BQFCYCMXSA-N 2 0 304.503 3.555 20 0 DHADRP Fc1ccccc1CC[N@H+](CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420301236 1026800781 /nfs/dbraw/zinc/80/07/81/1026800781.db2.gz IOCSPXAFWMIIBF-MRXNPFEDSA-N 2 0 304.453 3.612 20 0 DHADRP Brc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420318855 1026803555 /nfs/dbraw/zinc/80/35/55/1026803555.db2.gz PAKBWFBRJPKZRX-CZUORRHYSA-N 2 0 323.278 3.586 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420367059 1026808368 /nfs/dbraw/zinc/80/83/68/1026808368.db2.gz GMMDDJSTZOOMED-LSDHHAIUSA-N 2 0 309.523 3.957 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420391938 1026812966 /nfs/dbraw/zinc/81/29/66/1026812966.db2.gz OVPHRJDPYCVOKQ-XWIAVFTESA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000420399437 1026813539 /nfs/dbraw/zinc/81/35/39/1026813539.db2.gz HUNZLATWRPWMLK-ZWKOTPCHSA-N 2 0 314.498 3.930 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000420418568 1026814525 /nfs/dbraw/zinc/81/45/25/1026814525.db2.gz WXFLMGLFGHZCCT-JTDSTZFVSA-N 2 0 312.457 3.519 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(C)c2C)cc1 ZINC000420415732 1026814638 /nfs/dbraw/zinc/81/46/38/1026814638.db2.gz VDGDMHCKQBGSSV-WMZOPIPTSA-N 2 0 312.457 3.705 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420411613 1026816017 /nfs/dbraw/zinc/81/60/17/1026816017.db2.gz RXYPXNOYDUKFBG-QZTJIDSGSA-N 2 0 314.498 3.930 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(C3CC3)c2)cc1 ZINC000421334313 1026961169 /nfs/dbraw/zinc/96/11/69/1026961169.db2.gz PXESRFRSLOLYNW-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421369254 1026965919 /nfs/dbraw/zinc/96/59/19/1026965919.db2.gz GTOVPRIZGBVIMH-WLYUNCDWSA-N 2 0 310.432 3.748 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000421372705 1026968555 /nfs/dbraw/zinc/96/85/55/1026968555.db2.gz LMBSHTCYGZLVAG-UHFFFAOYSA-N 2 0 308.416 3.673 20 0 DHADRP COc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)C)c(F)c1 ZINC000421818904 1027064092 /nfs/dbraw/zinc/06/40/92/1027064092.db2.gz DCDNRJXIMTVBAT-YZVOILCLSA-N 2 0 320.452 3.748 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(F)c1 ZINC000421820245 1027065726 /nfs/dbraw/zinc/06/57/26/1027065726.db2.gz LNKKPDLSYLWSQS-AUUYWEPGSA-N 2 0 320.452 3.605 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C(C)C)c(F)c1 ZINC000421851695 1027066514 /nfs/dbraw/zinc/06/65/14/1027066514.db2.gz GCFOHYRNPVKNSO-BEFAXECRSA-N 2 0 322.468 3.853 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000421857755 1027067770 /nfs/dbraw/zinc/06/77/70/1027067770.db2.gz PSKWFYBRSTXQJA-ZIAGYGMSSA-N 2 0 312.860 3.732 20 0 DHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000421864332 1027069604 /nfs/dbraw/zinc/06/96/04/1027069604.db2.gz YIULWTFLPNEQJK-CYBMUJFWSA-N 2 0 310.869 3.874 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421847640 1027074639 /nfs/dbraw/zinc/07/46/39/1027074639.db2.gz XWYXXSHEIULEJJ-CYBMUJFWSA-N 2 0 312.860 3.873 20 0 DHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421882291 1027077929 /nfs/dbraw/zinc/07/79/29/1027077929.db2.gz RVZQNUGBKYKDFP-GRTSSRMGSA-N 2 0 310.869 3.872 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000571275561 1027115858 /nfs/dbraw/zinc/11/58/58/1027115858.db2.gz JXWLEERWFXGMOU-HNNXBMFYSA-N 2 0 315.486 3.777 20 0 DHADRP CC[NH+]1CCC([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1 ZINC000271740470 1027131354 /nfs/dbraw/zinc/13/13/54/1027131354.db2.gz VDXIYBMBPZXXGN-FQEVSTJZSA-N 2 0 316.489 3.545 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)c(N)c(Cl)c1 ZINC000271810609 1027152503 /nfs/dbraw/zinc/15/25/03/1027152503.db2.gz YQSFSVYIWCPWKS-JTQLQIEISA-N 2 0 304.265 3.568 20 0 DHADRP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000571962275 1027161368 /nfs/dbraw/zinc/16/13/68/1027161368.db2.gz CJZGRPLSRQHVSX-SYYJFZTOSA-N 2 0 320.521 3.865 20 0 DHADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000572340618 1027194330 /nfs/dbraw/zinc/19/43/30/1027194330.db2.gz SQCFNHQJABNGQO-APWZRJJASA-N 2 0 301.478 3.999 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000572678331 1027219845 /nfs/dbraw/zinc/21/98/45/1027219845.db2.gz NMQDBLXANUPLHV-PKOBYXMFSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000422561636 1027284669 /nfs/dbraw/zinc/28/46/69/1027284669.db2.gz MMYCBWUZHRITIM-GQIGUUNPSA-N 2 0 309.457 3.554 20 0 DHADRP C[C@@H]1C[C@@H](C)N(Cc2cnc(-c3cccs3)s2)C[C@@H]1C[NH3+] ZINC000422565406 1027287362 /nfs/dbraw/zinc/28/73/62/1027287362.db2.gz YXUUSIVBZVGWBU-UPJWGTAASA-N 2 0 321.515 3.677 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(-c3ccncc3)c2)C[C@@H]1C[NH3+] ZINC000422562676 1027287506 /nfs/dbraw/zinc/28/75/06/1027287506.db2.gz QQPKCIRZPYQDHX-GUXCAODWSA-N 2 0 309.457 3.554 20 0 DHADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422709207 1027296788 /nfs/dbraw/zinc/29/67/88/1027296788.db2.gz DCGYGTNJMFOMBJ-GBESFXJTSA-N 2 0 316.489 3.874 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000422709670 1027297383 /nfs/dbraw/zinc/29/73/83/1027297383.db2.gz ZNPIFCLHIGOCIW-SOAGJPPSSA-N 2 0 312.432 3.969 20 0 DHADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422712621 1027303323 /nfs/dbraw/zinc/30/33/23/1027303323.db2.gz GYQMLZXQQWNLQQ-IVMQYODDSA-N 2 0 318.505 3.902 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2cccc(COc3ccccc3)c2)CC1 ZINC000422727207 1027306247 /nfs/dbraw/zinc/30/62/47/1027306247.db2.gz BREBUNOXDBNTNF-UHFFFAOYSA-N 2 0 324.468 3.873 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCn1ccc2ccccc21 ZINC000422758620 1027306946 /nfs/dbraw/zinc/30/69/46/1027306946.db2.gz KMOHRJITKDXIKX-YLJYHZDGSA-N 2 0 321.468 3.580 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCn1ccc2ccccc21 ZINC000422758618 1027307167 /nfs/dbraw/zinc/30/71/67/1027307167.db2.gz KMOHRJITKDXIKX-PXNSSMCTSA-N 2 0 321.468 3.580 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@H](C)CCCC[NH3+])c2ccccn2)cc1 ZINC000422746354 1027308979 /nfs/dbraw/zinc/30/89/79/1027308979.db2.gz NTKHDPHFDIITOK-XLIONFOSSA-N 2 0 311.473 3.781 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422746588 1027311434 /nfs/dbraw/zinc/31/14/34/1027311434.db2.gz ZXZXHYORLIEOQV-DLBZAZTESA-N 2 0 320.358 3.982 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422754746 1027314551 /nfs/dbraw/zinc/31/45/51/1027314551.db2.gz GDFHEUFBRGMONL-DNVCBOLYSA-N 2 0 314.448 3.651 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422770038 1027315379 /nfs/dbraw/zinc/31/53/79/1027315379.db2.gz WFICRLJEUDJGCB-CYBMUJFWSA-N 2 0 315.436 3.616 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422776936 1027317559 /nfs/dbraw/zinc/31/75/59/1027317559.db2.gz BHHORYLWPXJEPK-CABCVRRESA-N 2 0 312.379 3.597 20 0 DHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000422773696 1027317624 /nfs/dbraw/zinc/31/76/24/1027317624.db2.gz UPZZBFZRIRJGQU-IPMKNSEASA-N 2 0 316.464 3.758 20 0 DHADRP c1ccc2nc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422777259 1027319950 /nfs/dbraw/zinc/31/99/50/1027319950.db2.gz FFSWUTQTVRYVEF-CEWLAPEOSA-N 2 0 323.484 3.678 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422785281 1027321398 /nfs/dbraw/zinc/32/13/98/1027321398.db2.gz NIWMKRDBTUOZPN-DZGCQCFKSA-N 2 0 313.445 3.578 20 0 DHADRP Cc1ccc(SCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422763038 1027323790 /nfs/dbraw/zinc/32/37/90/1027323790.db2.gz ITJVLXOZXSLRHT-CQSZACIVSA-N 2 0 315.486 3.600 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422785739 1027324603 /nfs/dbraw/zinc/32/46/03/1027324603.db2.gz RKWYOQWWKWSDJW-JSNMRZPZSA-N 2 0 310.441 3.923 20 0 DHADRP Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422802487 1027327293 /nfs/dbraw/zinc/32/72/93/1027327293.db2.gz DHTYAPMQESWWBV-RDVQEIBISA-N 2 0 316.489 3.570 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)C)cc1OCC ZINC000422799690 1027328209 /nfs/dbraw/zinc/32/82/09/1027328209.db2.gz YAPWIJVIHNGSRV-YZVOILCLSA-N 2 0 322.493 3.897 20 0 DHADRP Cc1cccc(Oc2cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccn2)c1C ZINC000422803441 1027328409 /nfs/dbraw/zinc/32/84/09/1027328409.db2.gz FYNQKAGPUROKND-LSDHHAIUSA-N 2 0 313.445 3.706 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(c2ccccc2)CCC1 ZINC000422812166 1027330798 /nfs/dbraw/zinc/33/07/98/1027330798.db2.gz QBVSIPAUBSBYBF-HNNXBMFYSA-N 2 0 309.457 3.621 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(Br)s1 ZINC000422826626 1027334996 /nfs/dbraw/zinc/33/49/96/1027334996.db2.gz RDPKWWZFHSDCHI-VHSXEESVSA-N 2 0 305.285 3.679 20 0 DHADRP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CC[NH2+]CC2)cc1C ZINC000422850190 1027338502 /nfs/dbraw/zinc/33/85/02/1027338502.db2.gz NESODZRRTKOKQR-OAQYLSRUSA-N 2 0 308.469 3.929 20 0 DHADRP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]C2CC[NH2+]CC2)CCC3)cc1 ZINC000422865585 1027342304 /nfs/dbraw/zinc/34/23/04/1027342304.db2.gz YRGRUWBQFAQXSP-HNNXBMFYSA-N 2 0 313.470 3.529 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]C3CCC([NH3+])CC3)c(C)c2c1 ZINC000422860742 1027343741 /nfs/dbraw/zinc/34/37/41/1027343741.db2.gz MURVILFBUIDQKX-IYXRBSQSSA-N 2 0 302.418 3.670 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422860047 1027343926 /nfs/dbraw/zinc/34/39/26/1027343926.db2.gz KYQMARNPXYZONW-CQSZACIVSA-N 2 0 317.408 3.620 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422881446 1027345498 /nfs/dbraw/zinc/34/54/98/1027345498.db2.gz NPWIAYUDEBJARI-FUMNGEBKSA-N 3 0 321.553 3.541 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422867387 1027346855 /nfs/dbraw/zinc/34/68/55/1027346855.db2.gz SBSTWXOWNUAJJE-DLBZAZTESA-N 2 0 312.457 3.619 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422885059 1027350539 /nfs/dbraw/zinc/35/05/39/1027350539.db2.gz TWPZNANUNNSJIF-UTKZUKDTSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422888040 1027351713 /nfs/dbraw/zinc/35/17/13/1027351713.db2.gz ZTSRRMMSCOFFKP-QYZOEREBSA-N 3 0 309.542 3.541 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422906423 1027359475 /nfs/dbraw/zinc/35/94/75/1027359475.db2.gz VDOGYAWXPRDQRA-CHWSQXEVSA-N 2 0 318.383 3.796 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422908441 1027359857 /nfs/dbraw/zinc/35/98/57/1027359857.db2.gz YPDAEUZGUCAZTM-ZYHUDNBSSA-N 2 0 309.866 3.557 20 0 DHADRP C[C@@H]1C[C@H]1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422922401 1027362238 /nfs/dbraw/zinc/36/22/38/1027362238.db2.gz QFUQYEHXCHEDIS-OLAWJEKCSA-N 2 0 304.865 3.910 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000422933052 1027364306 /nfs/dbraw/zinc/36/43/06/1027364306.db2.gz DCQUMTFZSPKCPU-NWDGAFQWSA-N 2 0 311.267 3.544 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422930914 1027364423 /nfs/dbraw/zinc/36/44/23/1027364423.db2.gz ABEWUSPHUGLYAT-IAGOWNOFSA-N 2 0 310.869 3.749 20 0 DHADRP Clc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422943820 1027369549 /nfs/dbraw/zinc/36/95/49/1027369549.db2.gz LAHHMCQGXNTRBS-KURKYZTESA-N 2 0 306.881 3.783 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)Oc1ccccc1Cl ZINC000422918449 1027372419 /nfs/dbraw/zinc/37/24/19/1027372419.db2.gz IDHIUSVJLNBUGR-DQYPLSBCSA-N 2 0 316.832 3.842 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422964782 1027373699 /nfs/dbraw/zinc/37/36/99/1027373699.db2.gz JLHLHOUOLNIVRD-QGZVFWFLSA-N 2 0 323.484 3.864 20 0 DHADRP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422948985 1027374441 /nfs/dbraw/zinc/37/44/41/1027374441.db2.gz TZCHZHSWFHXQNE-NJYVYQBISA-N 2 0 308.469 3.893 20 0 DHADRP COc1cccc(C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc2)c1 ZINC000422945615 1027374845 /nfs/dbraw/zinc/37/48/45/1027374845.db2.gz VGMPUADMQBYIFZ-GZNCHQMQSA-N 2 0 324.468 3.839 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422955589 1027378524 /nfs/dbraw/zinc/37/85/24/1027378524.db2.gz JQTWAKOLYNYCLD-MOPGFXCFSA-N 2 0 310.441 3.923 20 0 DHADRP CCOc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423001143 1027385437 /nfs/dbraw/zinc/38/54/37/1027385437.db2.gz WSMPZYQWLGSQLJ-VAMGGRTRSA-N 2 0 316.489 3.528 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423002933 1027386457 /nfs/dbraw/zinc/38/64/57/1027386457.db2.gz ZZKNNOLQAGLIJU-OAHLLOKOSA-N 2 0 300.368 3.744 20 0 DHADRP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422999027 1027387716 /nfs/dbraw/zinc/38/77/16/1027387716.db2.gz DMHMIBGLPPIEQN-SJORKVTESA-N 2 0 306.519 3.906 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000423014248 1027391536 /nfs/dbraw/zinc/39/15/36/1027391536.db2.gz ONHLCAXNCFDHIG-HOTGVXAUSA-N 2 0 324.468 3.894 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000422995711 1027393082 /nfs/dbraw/zinc/39/30/82/1027393082.db2.gz YWAQTBIVRHRWMX-KUHUBIRLSA-N 2 0 309.457 3.922 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000423045753 1027394686 /nfs/dbraw/zinc/39/46/86/1027394686.db2.gz CMBFSUPUIRNONR-LBPRGKRZSA-N 2 0 315.442 3.773 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H](C)c1ccccc1C(F)(F)F ZINC000423033209 1027397692 /nfs/dbraw/zinc/39/76/92/1027397692.db2.gz ZEGLZSHIXWESPT-ZDEQEGDKSA-N 2 0 302.384 3.913 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423054940 1027400094 /nfs/dbraw/zinc/40/00/94/1027400094.db2.gz VRECQOWHINVFKI-SWLSCSKDSA-N 2 0 312.860 3.734 20 0 DHADRP Fc1ccccc1NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423039012 1027401028 /nfs/dbraw/zinc/40/10/28/1027401028.db2.gz ZSRJNPVILSPEIU-BPQIPLTHSA-N 2 0 319.468 3.528 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cn(C)c2c1 ZINC000423064242 1027404282 /nfs/dbraw/zinc/40/42/82/1027404282.db2.gz YOTOTVJUTAEXBO-WOJBJXKFSA-N 2 0 319.452 3.764 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423066816 1027408317 /nfs/dbraw/zinc/40/83/17/1027408317.db2.gz YBFQXDQGFPQUCU-HZPDHXFCSA-N 2 0 310.844 3.760 20 0 DHADRP [NH3+]CC1CCC([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000423094243 1027414452 /nfs/dbraw/zinc/41/44/52/1027414452.db2.gz BKXBQRBBHMAOSP-UHFFFAOYSA-N 2 0 310.844 3.832 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099261 1027415229 /nfs/dbraw/zinc/41/52/29/1027415229.db2.gz LVAQDHAMANATJA-DNDXXGFKSA-N 2 0 310.844 3.975 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423092051 1027415472 /nfs/dbraw/zinc/41/54/72/1027415472.db2.gz AHCIVSBRTQWEDK-UHXUCMFUSA-N 2 0 300.368 3.667 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423119479 1027418390 /nfs/dbraw/zinc/41/83/90/1027418390.db2.gz CMXMLPZZETZXBA-HIFRSBDPSA-N 2 0 302.384 3.515 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423126636 1027420967 /nfs/dbraw/zinc/42/09/67/1027420967.db2.gz SBFMFYDZNNZIBY-QINHECLXSA-N 2 0 312.457 3.694 20 0 DHADRP CC(C)(CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423130245 1027424624 /nfs/dbraw/zinc/42/46/24/1027424624.db2.gz GIAQRGGJNDVSAW-XLIONFOSSA-N 2 0 314.473 3.658 20 0 DHADRP CC(C)(CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423130243 1027425689 /nfs/dbraw/zinc/42/56/89/1027425689.db2.gz GIAQRGGJNDVSAW-FXAWDEMLSA-N 2 0 314.473 3.658 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000423111958 1027427343 /nfs/dbraw/zinc/42/73/43/1027427343.db2.gz RJFJTAYCYLQGFA-MGPQQGTHSA-N 2 0 304.400 3.619 20 0 DHADRP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423144972 1027427982 /nfs/dbraw/zinc/42/79/82/1027427982.db2.gz INKWRHGNSQOPDV-WZGPROSRSA-N 2 0 302.437 3.713 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423135901 1027434741 /nfs/dbraw/zinc/43/47/41/1027434741.db2.gz ONSBMJQXBJIBIF-KBMXLJTQSA-N 2 0 314.395 3.843 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423135903 1027435026 /nfs/dbraw/zinc/43/50/26/1027435026.db2.gz ONSBMJQXBJIBIF-VNQPRFMTSA-N 2 0 314.395 3.843 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423173649 1027437535 /nfs/dbraw/zinc/43/75/35/1027437535.db2.gz ZNNVVWSQTQERRH-QXAKKESOSA-N 2 0 315.505 3.780 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423174406 1027442577 /nfs/dbraw/zinc/44/25/77/1027442577.db2.gz CASSUBINKNNABQ-KQBLMWHVSA-N 2 0 304.865 3.849 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000423214556 1027449917 /nfs/dbraw/zinc/44/99/17/1027449917.db2.gz PCMWCEZMRFXIQC-HOTGVXAUSA-N 2 0 324.896 3.785 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(C)cc2)cc1 ZINC000423193498 1027452945 /nfs/dbraw/zinc/45/29/45/1027452945.db2.gz WPPJNLZBDYECFT-OAQYLSRUSA-N 2 0 308.469 3.929 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000575101404 1027454486 /nfs/dbraw/zinc/45/44/86/1027454486.db2.gz JXTJFAMSCFFHDO-CQSZACIVSA-N 2 0 312.860 3.732 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423202549 1027456387 /nfs/dbraw/zinc/45/63/87/1027456387.db2.gz QYVGMIPXLYOPEV-JKSUJKDBSA-N 2 0 304.478 3.829 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C(C)C)cc1 ZINC000575147304 1027458995 /nfs/dbraw/zinc/45/89/95/1027458995.db2.gz SFXQYEUXUYSXIN-YQVWRLOYSA-N 2 0 304.478 3.855 20 0 DHADRP C[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423214337 1027459730 /nfs/dbraw/zinc/45/97/30/1027459730.db2.gz LHBVNJDQDVKSNZ-IAGOWNOFSA-N 2 0 323.569 3.643 20 0 DHADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423219257 1027462277 /nfs/dbraw/zinc/46/22/77/1027462277.db2.gz SZKJJESLLHDKCI-IOASZLSFSA-N 2 0 310.869 3.777 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423220596 1027462789 /nfs/dbraw/zinc/46/27/89/1027462789.db2.gz YJAVXOWTOCYRJR-PKOBYXMFSA-N 2 0 324.468 3.916 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220009 1027463194 /nfs/dbraw/zinc/46/31/94/1027463194.db2.gz XQJRVNYJNKDMDU-HIFRSBDPSA-N 2 0 312.910 3.800 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H]3CCC[NH2+]C3)cs2)cs1 ZINC000423218759 1027463417 /nfs/dbraw/zinc/46/34/17/1027463417.db2.gz VZPTYXHEHZQYNK-AAEUAGOBSA-N 2 0 321.515 3.830 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423223867 1027464471 /nfs/dbraw/zinc/46/44/71/1027464471.db2.gz HNLMVVHDBSWWHZ-WHOFXGATSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cc(Br)cs1)[C@H]1CCC[NH2+]C1 ZINC000423221982 1027466067 /nfs/dbraw/zinc/46/60/67/1027466067.db2.gz ZAAAASVJQAGTTA-VWYCJHECSA-N 2 0 317.296 3.549 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000423262124 1027469203 /nfs/dbraw/zinc/46/92/03/1027469203.db2.gz ULGHMHSXRKCQLH-WDEREUQCSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1csc(-c2ccccc2F)n1 ZINC000423231771 1027469634 /nfs/dbraw/zinc/46/96/34/1027469634.db2.gz LTSGDKOPFHVWND-PNESKVBLSA-N 2 0 319.449 3.870 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423241144 1027470532 /nfs/dbraw/zinc/47/05/32/1027470532.db2.gz DECUGAIGEJKXDC-OLZOCXBDSA-N 2 0 319.449 3.599 20 0 DHADRP C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(SCC(F)(F)F)cc1 ZINC000423246618 1027473167 /nfs/dbraw/zinc/47/31/67/1027473167.db2.gz ZNLYNIYCONBNHT-AAEUAGOBSA-N 2 0 318.408 3.744 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246058 1027474771 /nfs/dbraw/zinc/47/47/71/1027474771.db2.gz JTEJUFTVOZRBHB-UKRRQHHQSA-N 2 0 312.910 3.800 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1OCc1ccccc1 ZINC000423253114 1027477763 /nfs/dbraw/zinc/47/77/63/1027477763.db2.gz VDHBVMFMQUYLGC-MSOLQXFVSA-N 2 0 324.468 3.916 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423255903 1027479242 /nfs/dbraw/zinc/47/92/42/1027479242.db2.gz AXWRBFROVDXUIY-LESCRADOSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCS2 ZINC000423256765 1027479353 /nfs/dbraw/zinc/47/93/53/1027479353.db2.gz FXHWPJCTBZIXKJ-NVXWUHKLSA-N 2 0 304.503 3.820 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1OCc1ccccc1 ZINC000423253115 1027479726 /nfs/dbraw/zinc/47/97/26/1027479726.db2.gz VDHBVMFMQUYLGC-QZTJIDSGSA-N 2 0 324.468 3.916 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256276 1027479734 /nfs/dbraw/zinc/47/97/34/1027479734.db2.gz DUHNJRWZAVGOLP-CJNGLKHVSA-N 2 0 308.853 3.533 20 0 DHADRP CC[C@@H]([NH2+][C@@H](CN)CC(C)C)c1ccc(OC(F)F)cc1 ZINC000423259533 1027479756 /nfs/dbraw/zinc/47/97/56/1027479756.db2.gz FFHQHCXDSDZWDJ-UKRRQHHQSA-N 2 0 300.393 3.702 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423292906 1027481443 /nfs/dbraw/zinc/48/14/43/1027481443.db2.gz OXPLPPYTHIEWLO-LBPRGKRZSA-N 2 0 302.384 3.744 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423284512 1027483383 /nfs/dbraw/zinc/48/33/83/1027483383.db2.gz YENLTQBZGOYPKF-GZBFAFLISA-N 2 0 312.404 3.765 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423282775 1027483513 /nfs/dbraw/zinc/48/35/13/1027483513.db2.gz WXPIOIRBZQSSLQ-NWDGAFQWSA-N 2 0 320.424 3.847 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423271411 1027490609 /nfs/dbraw/zinc/49/06/09/1027490609.db2.gz HKCYAJKDTXDMRK-BEVDRBHNSA-N 2 0 309.457 3.917 20 0 DHADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C)ccc1OC ZINC000295926782 1027490763 /nfs/dbraw/zinc/49/07/63/1027490763.db2.gz KIHHWEFVKKRWBT-YCXXCVGLSA-N 2 0 302.462 3.670 20 0 DHADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423278281 1027491874 /nfs/dbraw/zinc/49/18/74/1027491874.db2.gz QMGITKXNFXJKCF-WFASDCNBSA-N 2 0 302.384 3.599 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423279115 1027493069 /nfs/dbraw/zinc/49/30/69/1027493069.db2.gz RZYTUHHVAXNRRP-QGZVFWFLSA-N 3 0 323.569 3.645 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423300671 1027503955 /nfs/dbraw/zinc/50/39/55/1027503955.db2.gz DUTIHDKDCVDCDD-CXAGYDPISA-N 2 0 320.383 3.562 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423300138 1027504245 /nfs/dbraw/zinc/50/42/45/1027504245.db2.gz QWPBUZWSWOVEPF-GHMZBOCLSA-N 2 0 306.397 3.586 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423303778 1027504711 /nfs/dbraw/zinc/50/47/11/1027504711.db2.gz JMSVCEPWPQSGDK-FUJMWEONSA-N 2 0 314.395 3.916 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)c1 ZINC000423345849 1027507212 /nfs/dbraw/zinc/50/72/12/1027507212.db2.gz GGMZQGMUWSLHOT-SJLPKXTDSA-N 2 0 304.865 3.876 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423324295 1027510209 /nfs/dbraw/zinc/51/02/09/1027510209.db2.gz ISTZEBBRHAGVMU-MRXNPFEDSA-N 2 0 309.457 3.789 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OCC ZINC000423324845 1027511562 /nfs/dbraw/zinc/51/15/62/1027511562.db2.gz JDABUTKAORLGPF-KXBFYZLASA-N 2 0 320.477 3.524 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000423342610 1027518054 /nfs/dbraw/zinc/51/80/54/1027518054.db2.gz NHMDGJNSZQXPNP-HXUWFJFHSA-N 2 0 323.569 3.645 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356769 1027519969 /nfs/dbraw/zinc/51/99/69/1027519969.db2.gz KLWFUNSQTGZFQD-HZPDHXFCSA-N 2 0 313.489 3.956 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296037079 1027522918 /nfs/dbraw/zinc/52/29/18/1027522918.db2.gz UAPZWLMREBQCJU-IPQPSQTFSA-N 2 0 304.453 3.608 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423368981 1027523704 /nfs/dbraw/zinc/52/37/04/1027523704.db2.gz DPJVTVMTTFBPJW-XLIONFOSSA-N 2 0 321.468 3.809 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000423385750 1027526765 /nfs/dbraw/zinc/52/67/65/1027526765.db2.gz GZDNKNOMUQVDLA-XUJVJEKNSA-N 2 0 314.445 3.692 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[NH2+]1 ZINC000423381765 1027527615 /nfs/dbraw/zinc/52/76/15/1027527615.db2.gz ONOGVCBQXMDJEN-RLCCDNCMSA-N 2 0 312.379 3.887 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2ccccc2)c1 ZINC000423378695 1027528573 /nfs/dbraw/zinc/52/85/73/1027528573.db2.gz MPWZDWXUZDSMPP-BSIFCXSSSA-N 2 0 324.468 3.709 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000423398743 1027533139 /nfs/dbraw/zinc/53/31/39/1027533139.db2.gz VKCGNSOXNJSGLG-DYEKYZERSA-N 2 0 314.445 3.835 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC000423395953 1027533367 /nfs/dbraw/zinc/53/33/67/1027533367.db2.gz TXDDGQXBUMKZFZ-DFBGVHRSSA-N 2 0 311.267 3.630 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423375230 1027533504 /nfs/dbraw/zinc/53/35/04/1027533504.db2.gz DAGVGYOPQOXKNC-INWMFGNUSA-N 2 0 314.395 3.929 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC000423395956 1027535513 /nfs/dbraw/zinc/53/55/13/1027535513.db2.gz TXDDGQXBUMKZFZ-UGFHNGPFSA-N 2 0 311.267 3.630 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(Cl)c1 ZINC000423403840 1027536844 /nfs/dbraw/zinc/53/68/44/1027536844.db2.gz XIQDZKXDJLOBSQ-NSHDSACASA-N 2 0 304.796 3.933 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423407326 1027537945 /nfs/dbraw/zinc/53/79/45/1027537945.db2.gz ZVIWFXHGPQIXNR-OAHLLOKOSA-N 2 0 310.441 3.928 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449375 1027546504 /nfs/dbraw/zinc/54/65/04/1027546504.db2.gz WHXGGDSIIZXHBC-YTQUADARSA-N 2 0 309.457 3.523 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCS2 ZINC000423471065 1027558244 /nfs/dbraw/zinc/55/82/44/1027558244.db2.gz DWECOKAGONATQG-PBHICJAKSA-N 2 0 320.502 3.744 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000423469639 1027558578 /nfs/dbraw/zinc/55/85/78/1027558578.db2.gz CWADBTLWAXZUTP-OXJNMPFZSA-N 2 0 309.457 3.931 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000423471875 1027558743 /nfs/dbraw/zinc/55/87/43/1027558743.db2.gz FOMYVSRTUKRJGG-XLIONFOSSA-N 2 0 323.484 3.577 20 0 DHADRP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423478820 1027561583 /nfs/dbraw/zinc/56/15/83/1027561583.db2.gz LRAKZUPPVOWTDA-GOEBONIOSA-N 2 0 312.404 3.861 20 0 DHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)OCO2 ZINC000423498310 1027563514 /nfs/dbraw/zinc/56/35/14/1027563514.db2.gz HYPJPNOJYHSBOK-YOEHRIQHSA-N 2 0 312.413 3.546 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)C1 ZINC000423499174 1027563696 /nfs/dbraw/zinc/56/36/96/1027563696.db2.gz HNJNFZFPDGYDME-NSISKUIASA-N 2 0 312.432 3.827 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000423453542 1027564544 /nfs/dbraw/zinc/56/45/44/1027564544.db2.gz ANXHTCBBOONOMU-YQQAZPJKSA-N 2 0 320.477 3.652 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000423503334 1027568599 /nfs/dbraw/zinc/56/85/99/1027568599.db2.gz KODPMZDRMIDUSX-BFQNTYOBSA-N 2 0 323.278 3.544 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423496767 1027573641 /nfs/dbraw/zinc/57/36/41/1027573641.db2.gz XOPCLLKIZAKSAT-MPGHIAIKSA-N 2 0 302.462 3.741 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@@H](C)C1 ZINC000576167517 1027574737 /nfs/dbraw/zinc/57/47/37/1027574737.db2.gz FYADEHLHUNGOLI-BFWZDYSYSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC000296222888 1027578713 /nfs/dbraw/zinc/57/87/13/1027578713.db2.gz BYLDTKNITNCXLI-CYBMUJFWSA-N 2 0 310.432 3.921 20 0 DHADRP CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423539060 1027584388 /nfs/dbraw/zinc/58/43/88/1027584388.db2.gz HQWDLXSRAIJANQ-UUEOMSGBSA-N 2 0 312.501 3.865 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536149 1027584766 /nfs/dbraw/zinc/58/47/66/1027584766.db2.gz GUGBCDWFNCIXJM-IBGZPJMESA-N 2 0 314.473 3.923 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423540276 1027584789 /nfs/dbraw/zinc/58/47/89/1027584789.db2.gz JNJCPFAZWXMDJJ-KSTXQTNUSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(Br)cc2)CC[N@@H+]1C ZINC000296308805 1027602396 /nfs/dbraw/zinc/60/23/96/1027602396.db2.gz GFKFPSSZKRPOOY-DNKIIHMASA-N 2 0 323.278 3.535 20 0 DHADRP CCc1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924965096 1027603815 /nfs/dbraw/zinc/60/38/15/1027603815.db2.gz VUFFHVQBOLBQML-NRFANRHFSA-N 2 0 323.484 3.665 20 0 DHADRP CSC1(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000576573276 1027634698 /nfs/dbraw/zinc/63/46/98/1027634698.db2.gz ILGOHISSVBCZNZ-MRXNPFEDSA-N 2 0 310.551 3.859 20 0 DHADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000577270525 1027736381 /nfs/dbraw/zinc/73/63/81/1027736381.db2.gz APJNPYCVGQGQCL-GOSISDBHSA-N 2 0 322.537 3.562 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000577267750 1027737811 /nfs/dbraw/zinc/73/78/11/1027737811.db2.gz BQIIJVNVRZYJPY-SWLSCSKDSA-N 2 0 304.821 3.817 20 0 DHADRP Cc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000527537822 1027760346 /nfs/dbraw/zinc/76/03/46/1027760346.db2.gz GYSIBWOMAWHANX-LFUKPOHLSA-N 2 0 323.484 3.636 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC000364001509 1027797746 /nfs/dbraw/zinc/79/77/46/1027797746.db2.gz LOSGDUXLVHJFJS-ROUUACIJSA-N 2 0 320.525 3.545 20 0 DHADRP c1cc2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc2[nH]1 ZINC000527648425 1027806579 /nfs/dbraw/zinc/80/65/79/1027806579.db2.gz XQXXMLSLMOSDPM-UHFFFAOYSA-N 2 0 311.473 3.912 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000527708929 1027840411 /nfs/dbraw/zinc/84/04/11/1027840411.db2.gz CNECSQZHBPCDRW-OAQYLSRUSA-N 2 0 323.484 3.782 20 0 DHADRP Cc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527680621 1027841853 /nfs/dbraw/zinc/84/18/53/1027841853.db2.gz AGGUVAJHRODNQZ-GHTZIAJQSA-N 2 0 323.484 3.780 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000364657487 1027866286 /nfs/dbraw/zinc/86/62/86/1027866286.db2.gz UWZDISQIUQWSAH-YESZJQIVSA-N 2 0 302.462 3.589 20 0 DHADRP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001168099799 1027898996 /nfs/dbraw/zinc/89/89/96/1027898996.db2.gz CIMYXSDAKKBHTL-FRYIKTPZSA-N 2 0 316.489 3.634 20 0 DHADRP CCOCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000577729137 1027911806 /nfs/dbraw/zinc/91/18/06/1027911806.db2.gz GCLYZUCGIYAAMP-IBGZPJMESA-N 2 0 316.489 3.590 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC000814178166 1027916233 /nfs/dbraw/zinc/91/62/33/1027916233.db2.gz FCDJOTSPHYVDSE-OAQYLSRUSA-N 2 0 306.453 3.881 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCCC12CC2 ZINC000577748453 1027918461 /nfs/dbraw/zinc/91/84/61/1027918461.db2.gz YRZGTXFMKSKJMG-IBGZPJMESA-N 2 0 314.473 3.584 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527857322 1027922639 /nfs/dbraw/zinc/92/26/39/1027922639.db2.gz AEMQQLPBRHGABL-KRWDZBQOSA-N 2 0 310.844 3.788 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527882289 1027935357 /nfs/dbraw/zinc/93/53/57/1027935357.db2.gz AHBJYXWCRPJPIY-MRXNPFEDSA-N 2 0 310.844 3.788 20 0 DHADRP Fc1ccccc1C1CC([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000528000598 1028024464 /nfs/dbraw/zinc/02/44/64/1028024464.db2.gz JPLQMDQAGINMPQ-VMBOVVBDSA-N 2 0 302.437 3.678 20 0 DHADRP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc(C)c1O ZINC000578050075 1028033265 /nfs/dbraw/zinc/03/32/65/1028033265.db2.gz MFAGRCWWYCEEHB-UHFFFAOYSA-N 2 0 316.489 3.753 20 0 DHADRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366183829 1028057203 /nfs/dbraw/zinc/05/72/03/1028057203.db2.gz NTNOQNPUVQSZNK-OAHLLOKOSA-N 2 0 319.399 3.812 20 0 DHADRP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@@H](C)C1 ZINC001168102181 1028062899 /nfs/dbraw/zinc/06/28/99/1028062899.db2.gz OFXUGZXZOFGIQG-FRYIKTPZSA-N 2 0 316.489 3.634 20 0 DHADRP CC(C)c1nccn1[C@@H]1CCC[N@H+](CCCC2CCOCC2)C1 ZINC000366735276 1028105364 /nfs/dbraw/zinc/10/53/64/1028105364.db2.gz MJWSYOUKQYOOKI-GOSISDBHSA-N 2 0 319.493 3.850 20 0 DHADRP CSC1(C[NH2+]C[C@@H](c2ccccc2)C(C)C)CC[NH+](C)CC1 ZINC000578311563 1028115475 /nfs/dbraw/zinc/11/54/75/1028115475.db2.gz MUXZJQIVTLZPEN-GOSISDBHSA-N 2 0 320.546 3.843 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000367087460 1028134968 /nfs/dbraw/zinc/13/49/68/1028134968.db2.gz PXDLYRCDLJITHK-UIBIWLFHSA-N 2 0 322.518 3.536 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000563700166 1028171722 /nfs/dbraw/zinc/17/17/22/1028171722.db2.gz GACBISWZYDCVMT-QGZVFWFLSA-N 2 0 324.468 3.916 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000563730893 1028179669 /nfs/dbraw/zinc/17/96/69/1028179669.db2.gz KCSUBPIEMZAUMA-ZIAGYGMSSA-N 2 0 308.416 3.636 20 0 DHADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](Cc1ccccc1C)C1CC1)CCC2 ZINC000367436256 1028184095 /nfs/dbraw/zinc/18/40/95/1028184095.db2.gz FAYBJQFYDIGJQP-UXHICEINSA-N 2 0 323.484 3.988 20 0 DHADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H]1Cc3ccccc31)CC2)C1CC1 ZINC000367873799 1028253040 /nfs/dbraw/zinc/25/30/40/1028253040.db2.gz JLQDTQUIJXKBBH-QZTJIDSGSA-N 2 0 310.485 3.523 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579007957 1028298661 /nfs/dbraw/zinc/29/86/61/1028298661.db2.gz IRQAUSZQVUNXEU-OAQYLSRUSA-N 2 0 304.437 3.832 20 0 DHADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000564114810 1028308756 /nfs/dbraw/zinc/30/87/56/1028308756.db2.gz MYOOTVQHYQOYMY-GXDHUFHOSA-N 2 0 324.390 3.960 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000579058293 1028311708 /nfs/dbraw/zinc/31/17/08/1028311708.db2.gz ZRHAKMKKXSGXAO-MSOLQXFVSA-N 2 0 300.490 3.818 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC(COC)CC2)cc1 ZINC000449068076 1028330962 /nfs/dbraw/zinc/33/09/62/1028330962.db2.gz QRDBOGGFUMSPKG-UHFFFAOYSA-N 2 0 318.505 3.823 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449072424 1028334620 /nfs/dbraw/zinc/33/46/20/1028334620.db2.gz KDTLHEWRCCUGAO-YGRLFVJLSA-N 2 0 323.362 3.522 20 0 DHADRP CC[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)N1CCCC1 ZINC000449071909 1028334954 /nfs/dbraw/zinc/33/49/54/1028334954.db2.gz CKRSXJXJHUEUEE-HFCFLWKCSA-N 2 0 308.510 3.721 20 0 DHADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCn2ccnc2C)cc1C ZINC000368340951 1028340438 /nfs/dbraw/zinc/34/04/38/1028340438.db2.gz QGOZYQPIPVBWHY-SFHVURJKSA-N 2 0 313.445 3.736 20 0 DHADRP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368584513 1028375945 /nfs/dbraw/zinc/37/59/45/1028375945.db2.gz MXLVVJDEPBYAPH-KBPBESRZSA-N 2 0 307.507 3.673 20 0 DHADRP c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)n(C2CCCC2)n1 ZINC000449124108 1028378558 /nfs/dbraw/zinc/37/85/58/1028378558.db2.gz PSGLNFWADLQPIF-UHFFFAOYSA-N 2 0 318.509 3.744 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000368617824 1028384387 /nfs/dbraw/zinc/38/43/87/1028384387.db2.gz SOAYTQJUDIPXPN-HOCLYGCPSA-N 2 0 319.518 3.674 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449130890 1028384738 /nfs/dbraw/zinc/38/47/38/1028384738.db2.gz IOUILAQRVAAAMF-LSDHHAIUSA-N 2 0 310.432 3.778 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449132497 1028386250 /nfs/dbraw/zinc/38/62/50/1028386250.db2.gz UQRIOSNUUUSEAD-PGYGNJIDSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000449143148 1028398450 /nfs/dbraw/zinc/39/84/50/1028398450.db2.gz VWIZAYSBKAHCJY-IRXDYDNUSA-N 2 0 310.526 3.559 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000449143147 1028399531 /nfs/dbraw/zinc/39/95/31/1028399531.db2.gz VWIZAYSBKAHCJY-IAGOWNOFSA-N 2 0 310.526 3.559 20 0 DHADRP C[C@@H](CC1CC1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449147465 1028401590 /nfs/dbraw/zinc/40/15/90/1028401590.db2.gz HBJUBZAVQMZRJR-IRXDYDNUSA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000449147178 1028402863 /nfs/dbraw/zinc/40/28/63/1028402863.db2.gz FSLNCQVKWMOBFM-LJQANCHMSA-N 2 0 310.526 3.682 20 0 DHADRP COCC1CCC([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000449172720 1028415463 /nfs/dbraw/zinc/41/54/63/1028415463.db2.gz CXXKSBMOUWHJPR-KKXNLOMOSA-N 2 0 318.505 3.692 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449175985 1028418479 /nfs/dbraw/zinc/41/84/79/1028418479.db2.gz LLJVXGOFRIXYBY-RCCFBDPRSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449203665 1028443296 /nfs/dbraw/zinc/44/32/96/1028443296.db2.gz LKQBIIPEMCSKIQ-UHFFFAOYSA-N 2 0 322.537 3.967 20 0 DHADRP Cn1ccnc1[C@@H]1CCCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000369082274 1028443492 /nfs/dbraw/zinc/44/34/92/1028443492.db2.gz FFOSBTZFKHFOTJ-CYBMUJFWSA-N 2 0 318.490 3.554 20 0 DHADRP c1cncc([C@H]2CCC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000369112483 1028446411 /nfs/dbraw/zinc/44/64/11/1028446411.db2.gz LYWSLUYYSYEAOK-FXAWDEMLSA-N 2 0 313.489 3.572 20 0 DHADRP COC1(C[C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000369289916 1028469543 /nfs/dbraw/zinc/46/95/43/1028469543.db2.gz GQENYMHQBORQDX-MRXNPFEDSA-N 2 0 308.510 3.721 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000449251754 1028475990 /nfs/dbraw/zinc/47/59/90/1028475990.db2.gz OZQYPEOODDJIHV-MRXNPFEDSA-N 2 0 310.526 3.824 20 0 DHADRP COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc2ccccc21 ZINC000449287890 1028497977 /nfs/dbraw/zinc/49/79/77/1028497977.db2.gz XNKWMUMYRSVTFD-GOSISDBHSA-N 2 0 312.457 3.765 20 0 DHADRP Cc1cccc(CCN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000564894869 1028514540 /nfs/dbraw/zinc/51/45/40/1028514540.db2.gz DIYPZAPFBJASBI-RTBURBONSA-N 2 0 315.505 3.519 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449296946 1028519931 /nfs/dbraw/zinc/51/99/31/1028519931.db2.gz DRDZWPYAWBRPHR-ZLPCBKJTSA-N 2 0 312.457 3.970 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CCN1Cc1ccccc1 ZINC000564960552 1028519907 /nfs/dbraw/zinc/51/99/07/1028519907.db2.gz DJSZUJPJXSVXLE-NXWXRZEISA-N 2 0 304.453 3.910 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cc(F)cc(OC)c1 ZINC000449326282 1028535810 /nfs/dbraw/zinc/53/58/10/1028535810.db2.gz UKUPCRODYPHTRA-UHFFFAOYSA-N 2 0 319.424 3.505 20 0 DHADRP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc2ccccc21 ZINC000449330949 1028543275 /nfs/dbraw/zinc/54/32/75/1028543275.db2.gz MSKMHJAEBDUGIG-UYAOXDASSA-N 2 0 324.468 3.765 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000449311913 1028545937 /nfs/dbraw/zinc/54/59/37/1028545937.db2.gz OKVVVPPECACLRG-FQEVSTJZSA-N 2 0 316.489 3.828 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000565131730 1028546410 /nfs/dbraw/zinc/54/64/10/1028546410.db2.gz DXTKPLDWYLVLIR-CWFSZBLJSA-N 2 0 316.489 3.651 20 0 DHADRP Cn1cncc1CCC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000565175535 1028550182 /nfs/dbraw/zinc/55/01/82/1028550182.db2.gz VUROPFUSTWFNGY-LJQANCHMSA-N 2 0 315.436 3.589 20 0 DHADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1SC(C)(C)C ZINC000815619671 1028575003 /nfs/dbraw/zinc/57/50/03/1028575003.db2.gz UUJZDXTUTXTHDR-HNNXBMFYSA-N 2 0 324.534 3.806 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@]2(C)c2cccs2)CC1 ZINC000370623854 1028626799 /nfs/dbraw/zinc/62/67/99/1028626799.db2.gz CQURXZDHFRYXKH-RDTXWAMCSA-N 2 0 306.519 3.878 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@@H]1c1ccccc1 ZINC000371055066 1028665922 /nfs/dbraw/zinc/66/59/22/1028665922.db2.gz QGMFUEGPPYUTAI-APWZRJJASA-N 2 0 316.395 3.747 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000566062390 1028673369 /nfs/dbraw/zinc/67/33/69/1028673369.db2.gz CHELGIAFLLWDAW-NRFANRHFSA-N 2 0 324.468 3.568 20 0 DHADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000566635157 1028759656 /nfs/dbraw/zinc/75/96/56/1028759656.db2.gz PCXWLUKPEHSXGZ-IBGZPJMESA-N 2 0 318.530 3.873 20 0 DHADRP Cc1ccc2ccnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000567750491 1028948431 /nfs/dbraw/zinc/94/84/31/1028948431.db2.gz ZKGXQUKSAFQKBT-XLIONFOSSA-N 2 0 321.468 3.996 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000628425320 1029053722 /nfs/dbraw/zinc/05/37/22/1029053722.db2.gz HHKKRFSMZRLWAC-LRYGQEGESA-N 2 0 316.489 3.740 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000778642288 1029059623 /nfs/dbraw/zinc/05/96/23/1029059623.db2.gz COMYDXNVTZQKCZ-QFBILLFUSA-N 2 0 312.457 3.897 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000925496784 1029081555 /nfs/dbraw/zinc/08/15/55/1029081555.db2.gz CIJLUQKFFBTKNQ-QRVBRYPASA-N 2 0 316.489 3.650 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)c2ccccc21 ZINC000568543711 1029089319 /nfs/dbraw/zinc/08/93/19/1029089319.db2.gz QBJRTAUTULVXTF-MDZRGWNJSA-N 2 0 300.490 3.771 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2(SC)CC2)CC1)CC(C)C ZINC000568735698 1029119818 /nfs/dbraw/zinc/11/98/18/1029119818.db2.gz BUHOUZILKGBOOH-UHFFFAOYSA-N 2 0 312.567 3.962 20 0 DHADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCSC1 ZINC000411403415 1029122715 /nfs/dbraw/zinc/12/27/15/1029122715.db2.gz BPEWRXCSTGOFFN-GOSISDBHSA-N 2 0 304.503 3.610 20 0 DHADRP C[C@H]1C[NH+](CCCC[NH2+]C2CC3(C2)CCCCC3)C[C@H](C)O1 ZINC000817408451 1029149655 /nfs/dbraw/zinc/14/96/55/1029149655.db2.gz ICUNYGHCWAUXRW-IRXDYDNUSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC3(C2)CCCCC3)C[C@H](C)O1 ZINC000817408448 1029149715 /nfs/dbraw/zinc/14/97/15/1029149715.db2.gz ICUNYGHCWAUXRW-CALCHBBNSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CC3(C2)CCCCC3)C[C@@H](C)O1 ZINC000817408450 1029151081 /nfs/dbraw/zinc/15/10/81/1029151081.db2.gz ICUNYGHCWAUXRW-IAGOWNOFSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)C1 ZINC000373911816 1029168008 /nfs/dbraw/zinc/16/80/08/1029168008.db2.gz LNUSTSFMZFLUOK-WCIQWLHISA-N 2 0 322.537 3.514 20 0 DHADRP Cc1cccc2c(NCc3ccn4ccnc4c3)c(C)c[nH+]c12 ZINC000569178282 1029188947 /nfs/dbraw/zinc/18/89/47/1029188947.db2.gz MCMANVAITQHWPL-UHFFFAOYSA-N 2 0 302.381 3.533 20 0 DHADRP CS[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411803210 1029211928 /nfs/dbraw/zinc/21/19/28/1029211928.db2.gz WDGQXNKQTNGJOI-GOSISDBHSA-N 2 0 304.503 3.610 20 0 DHADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000411800845 1029213324 /nfs/dbraw/zinc/21/33/24/1029213324.db2.gz NAKTWZUXGVYYSM-YLJYHZDGSA-N 2 0 316.489 3.529 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1C ZINC000817586576 1029215775 /nfs/dbraw/zinc/21/57/75/1029215775.db2.gz PYYPWNLJEABNCO-GTPINHCMSA-N 2 0 304.478 3.835 20 0 DHADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000411810125 1029216150 /nfs/dbraw/zinc/21/61/50/1029216150.db2.gz VHNGMYKTWACIQA-YLJYHZDGSA-N 2 0 316.489 3.529 20 0 DHADRP CO[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000411810124 1029217722 /nfs/dbraw/zinc/21/77/22/1029217722.db2.gz VHNGMYKTWACIQA-XLIONFOSSA-N 2 0 316.489 3.529 20 0 DHADRP COc1cccc([C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374179889 1029231711 /nfs/dbraw/zinc/23/17/11/1029231711.db2.gz WUOGDDRUZOSPLI-INIZCTEOSA-N 2 0 302.462 3.564 20 0 DHADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817887957 1029262469 /nfs/dbraw/zinc/26/24/69/1029262469.db2.gz HPQBQMFWCXLLAF-HSALFYBXSA-N 2 0 316.489 3.874 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1OC ZINC000817900785 1029269990 /nfs/dbraw/zinc/26/99/90/1029269990.db2.gz WJCKCVIFXKXYHW-KBXCAEBGSA-N 2 0 313.445 3.659 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000817901785 1029271483 /nfs/dbraw/zinc/27/14/83/1029271483.db2.gz YTYQLSWZGZXGDS-MPIRFRCKSA-N 3 0 313.489 3.518 20 0 DHADRP Cc1nccn1CCC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411992548 1029274649 /nfs/dbraw/zinc/27/46/49/1029274649.db2.gz VJVVQCDLGXNYQA-IBGZPJMESA-N 2 0 309.457 3.851 20 0 DHADRP C(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC[NH+]1CCCC1 ZINC000817913537 1029276613 /nfs/dbraw/zinc/27/66/13/1029276613.db2.gz IKTORMUQJOETIY-VAMGGRTRSA-N 3 0 321.553 3.543 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H](O)c1ccccc1 ZINC000817927630 1029278113 /nfs/dbraw/zinc/27/81/13/1029278113.db2.gz NVKHQZDUALKLDK-HAGHYFMRSA-N 2 0 310.441 3.623 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817924929 1029280133 /nfs/dbraw/zinc/28/01/33/1029280133.db2.gz MRTPFGMYQHKHCB-NJYVYQBISA-N 2 0 324.468 3.637 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926597 1029280647 /nfs/dbraw/zinc/28/06/47/1029280647.db2.gz OMPFSBRBLCPOEM-ZWKOPEQDSA-N 2 0 315.244 3.534 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(SC(F)F)cc1 ZINC000817941899 1029283935 /nfs/dbraw/zinc/28/39/35/1029283935.db2.gz SWUYLKIPSFIELA-NSHDSACASA-N 2 0 300.418 3.652 20 0 DHADRP CC[NH2+]CCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000817943235 1029286946 /nfs/dbraw/zinc/28/69/46/1029286946.db2.gz LRLSNNRQVULOMZ-UHFFFAOYSA-N 2 0 318.505 3.529 20 0 DHADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000817948502 1029291398 /nfs/dbraw/zinc/29/13/98/1029291398.db2.gz ZPTPHRSWLIRIQE-KRWDZBQOSA-N 2 0 316.445 3.654 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000817947302 1029291756 /nfs/dbraw/zinc/29/17/56/1029291756.db2.gz BMPFPFONTHIWDW-IBGZPJMESA-N 2 0 318.411 3.953 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2sccc21 ZINC000817949712 1029291777 /nfs/dbraw/zinc/29/17/77/1029291777.db2.gz SRFRNWNPBXLRAB-GUYCJALGSA-N 2 0 300.471 3.978 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1SC(F)F ZINC000817977201 1029317138 /nfs/dbraw/zinc/31/71/38/1029317138.db2.gz DMWJFBBQOCECGR-QWRGUYRKSA-N 2 0 318.433 3.788 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000817978492 1029317240 /nfs/dbraw/zinc/31/72/40/1029317240.db2.gz BTBJCVBKPZTKBB-YWGWFGEJSA-N 2 0 302.437 3.567 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000817979626 1029317813 /nfs/dbraw/zinc/31/78/13/1029317813.db2.gz CCOKIPAPHOECKM-DZGCQCFKSA-N 2 0 310.869 3.840 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1SC(F)F ZINC000817977199 1029317954 /nfs/dbraw/zinc/31/79/54/1029317954.db2.gz DMWJFBBQOCECGR-GHMZBOCLSA-N 2 0 318.433 3.788 20 0 DHADRP COCC[NH2+]C1CC[NH+](C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000570167274 1029326353 /nfs/dbraw/zinc/32/63/53/1029326353.db2.gz WVCGVMKHDRHMAG-LJQANCHMSA-N 2 0 318.505 3.517 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000629531273 1029357683 /nfs/dbraw/zinc/35/76/83/1029357683.db2.gz GKJZTSBEJVSZCC-LASHMREHSA-N 2 0 322.537 3.871 20 0 DHADRP C[NH2+]CCOCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000629529383 1029358797 /nfs/dbraw/zinc/35/87/97/1029358797.db2.gz BBSQUHMRIMAIHE-HNNXBMFYSA-N 2 0 319.276 3.516 20 0 DHADRP Cc1ccc2ncc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2c1 ZINC000629538576 1029361398 /nfs/dbraw/zinc/36/13/98/1029361398.db2.gz NXBZIBGQZZOZSM-INIZCTEOSA-N 2 0 309.457 3.507 20 0 DHADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccccc2F)s1 ZINC000629536299 1029362188 /nfs/dbraw/zinc/36/21/88/1029362188.db2.gz GLRBMXNEZOXRQD-CYBMUJFWSA-N 2 0 322.449 3.570 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544696 1029363684 /nfs/dbraw/zinc/36/36/84/1029363684.db2.gz IZENJUIMKXWOFO-MEDUHNTESA-N 2 0 323.843 3.610 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544697 1029365309 /nfs/dbraw/zinc/36/53/09/1029365309.db2.gz IZENJUIMKXWOFO-ZBEGNZNMSA-N 2 0 323.843 3.610 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629548126 1029365924 /nfs/dbraw/zinc/36/59/24/1029365924.db2.gz MFUOVFVWJPMLEI-FVQBIDKESA-N 2 0 303.837 3.668 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000629551601 1029368866 /nfs/dbraw/zinc/36/88/66/1029368866.db2.gz WERNXZJYPSTNFJ-MELADBBJSA-N 2 0 304.400 3.619 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529539231 1029399707 /nfs/dbraw/zinc/39/97/07/1029399707.db2.gz UQLLRWXKZWOYBX-WBVHZDCISA-N 2 0 322.443 3.574 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529539277 1029400782 /nfs/dbraw/zinc/40/07/82/1029400782.db2.gz DNABQPXEACXAPZ-AWEZNQCLSA-N 2 0 302.453 3.768 20 0 DHADRP [NH3+]C[C@@H]1CN(Cc2cccc(C3CC3)c2)CC[C@@H]1C(F)(F)F ZINC000629653387 1029407362 /nfs/dbraw/zinc/40/73/62/1029407362.db2.gz GIVJOVIFZIYKKH-CVEARBPZSA-N 2 0 312.379 3.523 20 0 DHADRP C[NH+](C)Cc1cccc(-c2cccc(C[NH2+]C3CCOCC3)c2)c1 ZINC000629706979 1029432882 /nfs/dbraw/zinc/43/28/82/1029432882.db2.gz QEITXQAWFGPTHQ-UHFFFAOYSA-N 2 0 324.468 3.684 20 0 DHADRP Cc1cc(C)cc([C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000818959843 1029444933 /nfs/dbraw/zinc/44/49/33/1029444933.db2.gz USBHMGYWEKAAMH-QUCCMNQESA-N 2 0 318.505 3.581 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cscn2)CC1 ZINC000450494348 1029515693 /nfs/dbraw/zinc/51/56/93/1029515693.db2.gz LAXNLHPUUYXQGI-INIZCTEOSA-N 2 0 321.534 3.662 20 0 DHADRP Fc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820809028 1029769066 /nfs/dbraw/zinc/76/90/66/1029769066.db2.gz RZIKOKAEMSUWTI-MAUASRDWSA-N 2 0 300.421 3.560 20 0 DHADRP CCc1cccc2c1OCC[C@H]2N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404554 1029797338 /nfs/dbraw/zinc/79/73/38/1029797338.db2.gz ABVSMDFVPQJZHG-NVXWUHKLSA-N 2 0 302.462 3.535 20 0 DHADRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168128122 1029815339 /nfs/dbraw/zinc/81/53/39/1029815339.db2.gz NNVDKKNLIAMHFG-FXAWDEMLSA-N 2 0 316.489 3.540 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CCN(C)CC1 ZINC000121796420 1029839932 /nfs/dbraw/zinc/83/99/32/1029839932.db2.gz CHGREAOUYFYYMJ-SFHVURJKSA-N 2 0 302.462 3.708 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925233798 1029843471 /nfs/dbraw/zinc/84/34/71/1029843471.db2.gz XNZXVQKDGPEPRZ-VQTJNVASSA-N 2 0 322.537 3.539 20 0 DHADRP COc1cc2c(NCCCC[N@H+](C)C3CC3)cc[nH+]c2cc1F ZINC000413343246 1029965491 /nfs/dbraw/zinc/96/54/91/1029965491.db2.gz APFXWOGTFGWRGC-UHFFFAOYSA-N 2 0 317.408 3.669 20 0 DHADRP C1CC([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCOC2)C1 ZINC000865759849 1030009606 /nfs/dbraw/zinc/00/96/06/1030009606.db2.gz SPNGGIRMOVFFRK-PXNSSMCTSA-N 2 0 320.521 3.578 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000865765941 1030014145 /nfs/dbraw/zinc/01/41/45/1030014145.db2.gz TVPSKQRTPNVXBP-UHFFFAOYSA-N 2 0 309.523 3.793 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CS1 ZINC000865775248 1030017135 /nfs/dbraw/zinc/01/71/35/1030017135.db2.gz RZJAFPXWFPXVJW-SJLPKXTDSA-N 2 0 318.530 3.524 20 0 DHADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC12CCOCC2 ZINC000865778092 1030019491 /nfs/dbraw/zinc/01/94/91/1030019491.db2.gz PUTUQURHWLWJPN-KRWDZBQOSA-N 2 0 320.521 3.580 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C2CCCCCC2)CCO1 ZINC000865805259 1030029534 /nfs/dbraw/zinc/02/95/34/1030029534.db2.gz WUKDKTWNKTTWLQ-NEWSRXKRSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000530863659 1030048612 /nfs/dbraw/zinc/04/86/12/1030048612.db2.gz GQGPZQJRQXLXFR-IBGZPJMESA-N 2 0 300.490 3.776 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(Cl)cc2)C[C@H]1C ZINC000530901746 1030060252 /nfs/dbraw/zinc/06/02/52/1030060252.db2.gz UTVHDQPQRUWXCE-ZBFHGGJFSA-N 2 0 310.869 3.523 20 0 DHADRP C[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000290501293 1030077197 /nfs/dbraw/zinc/07/71/97/1030077197.db2.gz WNJRIGLJFHXNCJ-CYBMUJFWSA-N 2 0 312.379 3.660 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1 ZINC000924584991 1030131695 /nfs/dbraw/zinc/13/16/95/1030131695.db2.gz KBXKKMMFNKPMNR-DZIBYMRMSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000822841714 1030143014 /nfs/dbraw/zinc/14/30/14/1030143014.db2.gz OLDCKUVQJILQLS-MJBXVCDLSA-N 2 0 319.320 3.813 20 0 DHADRP C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccnnc1 ZINC000924680806 1030157317 /nfs/dbraw/zinc/15/73/17/1030157317.db2.gz SNHMAVIAXYXCHW-IRXDYDNUSA-N 2 0 324.472 3.702 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnn(C2CCC2)c1 ZINC000924686055 1030157807 /nfs/dbraw/zinc/15/78/07/1030157807.db2.gz KFGMGTFOBPLIJL-SJORKVTESA-N 2 0 318.509 3.771 20 0 DHADRP c1ccc(SC2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000924700381 1030161961 /nfs/dbraw/zinc/16/19/61/1030161961.db2.gz WKZBYTLQJZFGSV-VUGNNNGISA-N 2 0 302.487 3.526 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924698199 1030163135 /nfs/dbraw/zinc/16/31/35/1030163135.db2.gz XXUHQRBGVGQMLE-RYQLBKOJSA-N 2 0 318.530 3.946 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000924704669 1030165837 /nfs/dbraw/zinc/16/58/37/1030165837.db2.gz GTHYCOWOISGLGZ-HOTGVXAUSA-N 2 0 306.519 3.661 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000866233722 1030171734 /nfs/dbraw/zinc/17/17/34/1030171734.db2.gz HSLZZUCZNVSFNH-OTWHNJEPSA-N 2 0 317.521 3.750 20 0 DHADRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccn1 ZINC000866234473 1030171826 /nfs/dbraw/zinc/17/18/26/1030171826.db2.gz SXFVCAROUCJIGL-PKOBYXMFSA-N 2 0 303.494 3.880 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000866249911 1030179959 /nfs/dbraw/zinc/17/99/59/1030179959.db2.gz QHKWAAULVYZLNT-QGZVFWFLSA-N 2 0 315.505 3.647 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000866283467 1030204118 /nfs/dbraw/zinc/20/41/18/1030204118.db2.gz YMKNLMKIUDACCK-KKXNLOMOSA-N 2 0 315.505 3.789 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924953946 1030232923 /nfs/dbraw/zinc/23/29/23/1030232923.db2.gz GEJBVBMRZIRZRX-MRXNPFEDSA-N 2 0 309.885 3.898 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924954297 1030233985 /nfs/dbraw/zinc/23/39/85/1030233985.db2.gz GPCSZKOHOWAEGP-QGZVFWFLSA-N 3 0 317.521 3.521 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866353445 1030250274 /nfs/dbraw/zinc/25/02/74/1030250274.db2.gz YFRYVUAPNNPOPR-GHTZIAJQSA-N 2 0 323.484 3.514 20 0 DHADRP CC1(C)CC2(CC([NH2+]CCCCC[NH+]3CCCCC3)C2)CO1 ZINC000925049893 1030256941 /nfs/dbraw/zinc/25/69/41/1030256941.db2.gz QIYRFYBMFIUZBI-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@@H](CCc1cncc2ccccc21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866367704 1030258926 /nfs/dbraw/zinc/25/89/26/1030258926.db2.gz NGIDAAZMGJAXJD-FAXKSRBJSA-N 2 0 323.484 3.771 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(O)cc(F)c1 ZINC000925075913 1030264810 /nfs/dbraw/zinc/26/48/10/1030264810.db2.gz UMPYJKWHFDORPB-GFCCVEGCSA-N 2 0 320.383 3.583 20 0 DHADRP Cc1ccccc1C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000925142580 1030285053 /nfs/dbraw/zinc/28/50/53/1030285053.db2.gz OULSYYGEWCSGHR-QRQLOZEOSA-N 2 0 312.457 3.944 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000866451764 1030301458 /nfs/dbraw/zinc/30/14/58/1030301458.db2.gz XVQCPQYFRIAOPB-QEXNXIHPSA-N 2 0 308.510 3.575 20 0 DHADRP c1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246106160 1030303925 /nfs/dbraw/zinc/30/39/25/1030303925.db2.gz JNFLFHYSTDLSGK-KXBFYZLASA-N 2 0 310.441 3.882 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866468250 1030309757 /nfs/dbraw/zinc/30/97/57/1030309757.db2.gz DAHCEUAWHZOBAQ-CQSZACIVSA-N 2 0 310.507 3.918 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000866469612 1030310194 /nfs/dbraw/zinc/31/01/94/1030310194.db2.gz NPGRQLWKQFKCSV-IBGZPJMESA-N 2 0 319.468 3.772 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925233796 1030314692 /nfs/dbraw/zinc/31/46/92/1030314692.db2.gz XNZXVQKDGPEPRZ-PMACEKPBSA-N 2 0 322.537 3.539 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(Cl)cc2)[C@H](C)C1 ZINC000533393896 1030326983 /nfs/dbraw/zinc/32/69/83/1030326983.db2.gz YIGUOGCZSZWFGP-CRAIPNDOSA-N 2 0 324.896 3.771 20 0 DHADRP COC(C)(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000866504428 1030331111 /nfs/dbraw/zinc/33/11/11/1030331111.db2.gz GYJILQJYNBHMLQ-REPLKXPHSA-N 2 0 316.489 3.587 20 0 DHADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518172 1030342202 /nfs/dbraw/zinc/34/22/02/1030342202.db2.gz TZXHJAYMZRYSEF-ZCDLSOSASA-N 2 0 302.462 3.535 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171022582 1030345138 /nfs/dbraw/zinc/34/51/38/1030345138.db2.gz NSKPJDRIRDPZER-BZUAXINKSA-N 2 0 306.881 3.660 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925508482 1030379894 /nfs/dbraw/zinc/37/98/94/1030379894.db2.gz GOIZQGNDKKWTLC-IAGOWNOFSA-N 2 0 324.415 3.546 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cncs1 ZINC000358228402 1030389278 /nfs/dbraw/zinc/38/92/78/1030389278.db2.gz PAKPDIWHOWEGHD-FHERZECASA-N 2 0 307.507 3.837 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925546294 1030395261 /nfs/dbraw/zinc/39/52/61/1030395261.db2.gz JBEVVHIGBRHFTR-IBGZPJMESA-N 2 0 324.468 3.797 20 0 DHADRP C/C(=C\C=C\N)[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H]1C ZINC001171032376 1030396686 /nfs/dbraw/zinc/39/66/86/1030396686.db2.gz UMMLVOIQVCBONG-PLRGIEGJSA-N 2 0 319.537 3.911 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000866608982 1030397756 /nfs/dbraw/zinc/39/77/56/1030397756.db2.gz PANPEVPOQCHBON-FQEVSTJZSA-N 2 0 315.505 3.647 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925557040 1030401026 /nfs/dbraw/zinc/40/10/26/1030401026.db2.gz BBIPFHWUHBMRII-QFBILLFUSA-N 2 0 316.489 3.891 20 0 DHADRP Clc1ccc(OCCC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000533526654 1030405721 /nfs/dbraw/zinc/40/57/21/1030405721.db2.gz TYKRWEWQWFJNKO-CQSZACIVSA-N 2 0 319.836 3.712 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C12CCC2 ZINC000925571742 1030409768 /nfs/dbraw/zinc/40/97/68/1030409768.db2.gz NIHZLFFVBGXTSI-CVEARBPZSA-N 2 0 319.518 3.593 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1 ZINC000925593845 1030414153 /nfs/dbraw/zinc/41/41/53/1030414153.db2.gz AICMXYLMXALCJJ-KRWDZBQOSA-N 2 0 304.384 3.577 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC=C(c3ccc(F)cc3)CC1)[NH2+]2 ZINC000925628833 1030427554 /nfs/dbraw/zinc/42/75/54/1030427554.db2.gz JUTFZLCKRLWIBS-RHFUSZHNSA-N 2 0 314.448 3.880 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)cc2c1 ZINC000866707801 1030429399 /nfs/dbraw/zinc/42/93/99/1030429399.db2.gz KERAVCYLYKIUMV-FQEVSTJZSA-N 2 0 311.473 3.740 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc2ncsc2c1 ZINC000925641961 1030431860 /nfs/dbraw/zinc/43/18/60/1030431860.db2.gz DNFAYHWNXNFMIN-UBHSHLNASA-N 2 0 303.475 3.853 20 0 DHADRP CCO[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925662147 1030446084 /nfs/dbraw/zinc/44/60/84/1030446084.db2.gz YUCOIEGAWCKIEK-PMACEKPBSA-N 2 0 312.457 3.834 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccccc1 ZINC000925662134 1030446252 /nfs/dbraw/zinc/44/62/52/1030446252.db2.gz YGMHLMZFDWSGQJ-LJQANCHMSA-N 2 0 309.457 3.530 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccccc1 ZINC000925662133 1030446387 /nfs/dbraw/zinc/44/63/87/1030446387.db2.gz YGMHLMZFDWSGQJ-IBGZPJMESA-N 2 0 309.457 3.530 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c2ccccc2O1 ZINC000925679905 1030450778 /nfs/dbraw/zinc/45/07/78/1030450778.db2.gz NHQUMKVAFCCPTL-UTRMSSBJSA-N 2 0 314.473 3.657 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925688897 1030455327 /nfs/dbraw/zinc/45/53/27/1030455327.db2.gz GZGLKDQAUYMFNW-SESVDKBCSA-N 2 0 324.468 3.869 20 0 DHADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925700401 1030458042 /nfs/dbraw/zinc/45/80/42/1030458042.db2.gz SYZSTIBCHZLZRB-PMACEKPBSA-N 2 0 309.457 3.716 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000925706657 1030460114 /nfs/dbraw/zinc/46/01/14/1030460114.db2.gz JZVRGSCDSBFMDE-SNVBAGLBSA-N 2 0 304.381 3.679 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc2ccccc21 ZINC000925713313 1030460647 /nfs/dbraw/zinc/46/06/47/1030460647.db2.gz XHNUQXIMHQOBRP-OAHLLOKOSA-N 2 0 310.441 3.761 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC(F)(F)F ZINC000925718469 1030463191 /nfs/dbraw/zinc/46/31/91/1030463191.db2.gz WRAOMUWPDQQSHD-UONOGXRCSA-N 2 0 306.416 3.723 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccccc1 ZINC000925721829 1030465254 /nfs/dbraw/zinc/46/52/54/1030465254.db2.gz GXDCNMKXGBBCGM-OALUTQOASA-N 2 0 316.489 3.796 20 0 DHADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246307230 1030486260 /nfs/dbraw/zinc/48/62/60/1030486260.db2.gz DLXMFDUPZCJLHV-GXTWGEPZSA-N 2 0 300.899 3.784 20 0 DHADRP Cc1cccc2c1[C@H](C)C[C@@H]2N1CCc2sc(C[NH3+])nc2C1 ZINC000925749190 1030476242 /nfs/dbraw/zinc/47/62/42/1030476242.db2.gz VEUCBXOAGXOICJ-DOMZBBRYSA-N 2 0 313.470 3.517 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925779643 1030496338 /nfs/dbraw/zinc/49/63/38/1030496338.db2.gz YTTJDUAGVQMPKY-JQFCIGGWSA-N 2 0 308.416 3.705 20 0 DHADRP F[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000558253812 1030497824 /nfs/dbraw/zinc/49/78/24/1030497824.db2.gz FZEKFRLHUYYUGF-IEWDOMPSSA-N 2 0 302.437 3.662 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1C(F)(F)F ZINC000925797566 1030499792 /nfs/dbraw/zinc/49/97/92/1030499792.db2.gz IHIVIMUEDWGBLK-JHJVBQTASA-N 2 0 300.368 3.602 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3ncccc3c2)c2ccccc21 ZINC000925814689 1030506497 /nfs/dbraw/zinc/50/64/97/1030506497.db2.gz OJZFTBJOKACNFO-ICSRJNTNSA-N 2 0 303.409 3.512 20 0 DHADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000925817884 1030510552 /nfs/dbraw/zinc/51/05/52/1030510552.db2.gz SPLXJBAGFJGRCU-AWEZNQCLSA-N 2 0 309.885 3.946 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000925829614 1030512008 /nfs/dbraw/zinc/51/20/08/1030512008.db2.gz PKPYMSUHIXRPNN-GXSJLCMTSA-N 2 0 323.239 3.537 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000925829619 1030512189 /nfs/dbraw/zinc/51/21/89/1030512189.db2.gz PKPYMSUHIXRPNN-KOLCDFICSA-N 2 0 323.239 3.537 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558275855 1030512489 /nfs/dbraw/zinc/51/24/89/1030512489.db2.gz DJMJWEZMDJSSAZ-SIZVQLJJSA-N 2 0 316.489 3.551 20 0 DHADRP FC(F)(F)C1CC([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000558277960 1030515084 /nfs/dbraw/zinc/51/50/84/1030515084.db2.gz YSHCTQZBLWXSFC-UHFFFAOYSA-N 2 0 312.379 3.582 20 0 DHADRP C[C@@H]1Cc2cc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)ccc2O1 ZINC000925831961 1030515157 /nfs/dbraw/zinc/51/51/57/1030515157.db2.gz MAGBGQWALUXPIC-BEFAXECRSA-N 2 0 310.441 3.580 20 0 DHADRP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccsc2S1 ZINC000925845099 1030518495 /nfs/dbraw/zinc/51/84/95/1030518495.db2.gz WVNOEKATRQEMIK-YYWXWVFPSA-N 2 0 308.516 3.795 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000925873975 1030526662 /nfs/dbraw/zinc/52/66/62/1030526662.db2.gz OSNYECGIZULDTO-NHCUHLMSSA-N 2 0 324.468 3.760 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000925875021 1030529932 /nfs/dbraw/zinc/52/99/32/1030529932.db2.gz BRAGCMJSHBOWQJ-VQTJNVASSA-N 2 0 308.469 3.557 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000925882026 1030531797 /nfs/dbraw/zinc/53/17/97/1030531797.db2.gz IUYLTSHXWFDCGZ-SGIREYDYSA-N 2 0 323.278 3.544 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000925885946 1030534643 /nfs/dbraw/zinc/53/46/43/1030534643.db2.gz BUHKCOZZEIPJCQ-ZDFPQIBNSA-N 2 0 320.480 3.971 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000925886757 1030534949 /nfs/dbraw/zinc/53/49/49/1030534949.db2.gz KQYNTHMZGULLDW-UIFIKXQLSA-N 2 0 321.468 3.582 20 0 DHADRP CCC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccn1 ZINC000925887028 1030535446 /nfs/dbraw/zinc/53/54/46/1030535446.db2.gz POGQPYBBRPPZPR-RLLQIKCJSA-N 2 0 309.457 3.572 20 0 DHADRP Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926157265 1030636120 /nfs/dbraw/zinc/63/61/20/1030636120.db2.gz BNIUXRCRMCWMIQ-DZGCQCFKSA-N 2 0 317.502 3.967 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000246886220 1030659578 /nfs/dbraw/zinc/65/95/78/1030659578.db2.gz FDZITZVDIXKDNE-WMZOPIPTSA-N 2 0 302.462 3.530 20 0 DHADRP C[C@H](c1ccco1)[NH+](C)CCOCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000246920174 1030662500 /nfs/dbraw/zinc/66/25/00/1030662500.db2.gz GNCLQWQJFUIVEA-HZPDHXFCSA-N 2 0 320.433 3.575 20 0 DHADRP CCC[N@@H+]1CC[C@H](CN[C@H]2CCSc3ccc(F)cc32)C1 ZINC000246907816 1030662810 /nfs/dbraw/zinc/66/28/10/1030662810.db2.gz GEAHRKYGIISVGQ-CJNGLKHVSA-N 2 0 308.466 3.684 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000246982728 1030664816 /nfs/dbraw/zinc/66/48/16/1030664816.db2.gz IYQMUDGABDPQKQ-JHNDHUHGSA-N 2 0 302.462 3.607 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000247124809 1030674772 /nfs/dbraw/zinc/67/47/72/1030674772.db2.gz RJVBXGMDBRMYIT-AEFFLSMTSA-N 2 0 302.462 3.530 20 0 DHADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1csc(C(F)(F)F)c1 ZINC000926451436 1030744730 /nfs/dbraw/zinc/74/47/30/1030744730.db2.gz ZZSYMTPOMVOWAB-WPRPVWTQSA-N 2 0 315.364 3.698 20 0 DHADRP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248663120 1030757449 /nfs/dbraw/zinc/75/74/49/1030757449.db2.gz HTVZQVRQRLUYFE-WMLDXEAASA-N 2 0 301.459 3.947 20 0 DHADRP Clc1ccnc2c1CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486586 1030761410 /nfs/dbraw/zinc/76/14/10/1030761410.db2.gz ILTQSLSVHJETHK-INIZCTEOSA-N 2 0 307.869 3.578 20 0 DHADRP CCSc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248801529 1030765882 /nfs/dbraw/zinc/76/58/82/1030765882.db2.gz ZKAJCNTZMATLCS-FUHWJXTLSA-N 2 0 304.503 3.715 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc(C[NH+](C)C)c1 ZINC000926518139 1030779594 /nfs/dbraw/zinc/77/95/94/1030779594.db2.gz DTGXKPMHIJSSMK-WFASDCNBSA-N 2 0 315.288 3.983 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc(C[NH+](C)C)c1 ZINC000926518136 1030780196 /nfs/dbraw/zinc/78/01/96/1030780196.db2.gz DTGXKPMHIJSSMK-IUODEOHRSA-N 2 0 315.288 3.983 20 0 DHADRP Cc1nc(C)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000076867685 1030820797 /nfs/dbraw/zinc/82/07/97/1030820797.db2.gz RHYMBFDGYHTRRM-UHFFFAOYSA-N 2 0 317.502 3.890 20 0 DHADRP Cc1c(F)cc(F)cc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001143764748 1030948975 /nfs/dbraw/zinc/94/89/75/1030948975.db2.gz ZAJODCAREJRTEX-UHFFFAOYSA-N 2 0 322.443 3.827 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC(F)(F)C1 ZINC000926889983 1030968980 /nfs/dbraw/zinc/96/89/80/1030968980.db2.gz SSZOVDJNBAYOGI-IUDNXUCKSA-N 2 0 300.437 3.807 20 0 DHADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926891380 1030970931 /nfs/dbraw/zinc/97/09/31/1030970931.db2.gz YJVCFDXPXRXEQO-KOHRHEQBSA-N 2 0 317.477 3.747 20 0 DHADRP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000844221570 1030998206 /nfs/dbraw/zinc/99/82/06/1030998206.db2.gz GNSLHNSCKMJTDA-GOSISDBHSA-N 2 0 314.477 3.619 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000897536633 1031020192 /nfs/dbraw/zinc/02/01/92/1031020192.db2.gz NNEUYKRSBFOSMU-BWPNAZKDSA-N 2 0 322.537 3.560 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCS1 ZINC000927032447 1031044543 /nfs/dbraw/zinc/04/45/43/1031044543.db2.gz NJWVVAALGWTMQB-IDCNUPLLSA-N 2 0 310.551 3.903 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000927035495 1031044708 /nfs/dbraw/zinc/04/47/08/1031044708.db2.gz ANPSATJGUJQPJQ-MNQCNDSGSA-N 2 0 319.880 3.719 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C1CCC(C)([NH+]3CCC3)CC1)CC2 ZINC000927037821 1031045159 /nfs/dbraw/zinc/04/51/59/1031045159.db2.gz LAKXZFHPOMXXNF-NQKNOSNGSA-N 2 0 314.473 3.679 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCc3scnc32)CC1 ZINC000927037158 1031045563 /nfs/dbraw/zinc/04/55/63/1031045563.db2.gz LNEMRMQADSQDEF-UUCFBXCCSA-N 2 0 305.491 3.517 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000927037159 1031046663 /nfs/dbraw/zinc/04/66/63/1031046663.db2.gz LNEMRMQADSQDEF-XOYHFGRZSA-N 2 0 305.491 3.517 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000927036971 1031046899 /nfs/dbraw/zinc/04/68/99/1031046899.db2.gz LDRDNOGKTQVNKF-AJPWXKBRSA-N 2 0 313.489 3.930 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnn(C2CCC2)c1 ZINC000927037288 1031047234 /nfs/dbraw/zinc/04/72/34/1031047234.db2.gz MMFDRRUQLOVNQT-DMKPSLHHSA-N 2 0 316.493 3.666 20 0 DHADRP CCn1nc(C)c([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000927040246 1031049940 /nfs/dbraw/zinc/04/99/40/1031049940.db2.gz ZOJIYFZSZCWVNN-ZCGYKAAXSA-N 2 0 318.509 3.577 20 0 DHADRP CCc1ccc(-c2nc(CN3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261818183 1031067143 /nfs/dbraw/zinc/06/71/43/1031067143.db2.gz PDVVFTIGIVQSLD-SFHVURJKSA-N 2 0 315.486 3.543 20 0 DHADRP CCC[N@H+](Cc1ccc2nc(C)sc2c1)C1CC[NH2+]CC1 ZINC000261811405 1031068320 /nfs/dbraw/zinc/06/83/20/1031068320.db2.gz HTHZWLKCXZSMMY-UHFFFAOYSA-N 2 0 303.475 3.569 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(C[NH+](C)C)c1 ZINC000927091979 1031079426 /nfs/dbraw/zinc/07/94/26/1031079426.db2.gz VNCUQFVUTVQJRL-OAHLLOKOSA-N 2 0 310.441 3.534 20 0 DHADRP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000261954861 1031080652 /nfs/dbraw/zinc/08/06/52/1031080652.db2.gz GOHYXOQMZOVXFC-GOSISDBHSA-N 2 0 316.445 3.740 20 0 DHADRP C[N@@H+]1CC[C@@H](N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1(C)C ZINC000623452490 1031113189 /nfs/dbraw/zinc/11/31/89/1031113189.db2.gz FVJWGKFUIPLWNW-ZBFHGGJFSA-N 2 0 320.452 3.890 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000927164516 1031127188 /nfs/dbraw/zinc/12/71/88/1031127188.db2.gz XIAJXJWTLLZQLG-NEWSRXKRSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CC2)CC1 ZINC000927164517 1031127689 /nfs/dbraw/zinc/12/76/89/1031127689.db2.gz XIAJXJWTLLZQLG-NZSAHSFTSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000359794856 1031140058 /nfs/dbraw/zinc/14/00/58/1031140058.db2.gz CQIHTJAWBIWUHX-UHFFFAOYSA-N 2 0 318.424 3.743 20 0 DHADRP CCCN(CCC[NH+](C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648586816 1031147203 /nfs/dbraw/zinc/14/72/03/1031147203.db2.gz HYTODWVGGFMNTO-UHFFFAOYSA-N 2 0 309.841 3.645 20 0 DHADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)CC1 ZINC001171134898 1031222442 /nfs/dbraw/zinc/22/24/42/1031222442.db2.gz HJYSMHQHFQKWFO-GOSISDBHSA-N 2 0 318.892 3.615 20 0 DHADRP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCCCO1 ZINC000347401815 1031222656 /nfs/dbraw/zinc/22/26/56/1031222656.db2.gz SGWATBOOYXILFJ-RBUKOAKNSA-N 2 0 308.510 3.534 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccnc(Cl)c1 ZINC000123672296 1031232344 /nfs/dbraw/zinc/23/23/44/1031232344.db2.gz BEWIGCHZKAPKOQ-CYBMUJFWSA-N 2 0 303.837 3.647 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000293081353 1031318061 /nfs/dbraw/zinc/31/80/61/1031318061.db2.gz WGQLNFNAQVQYEB-PMACEKPBSA-N 2 0 316.489 3.570 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000844903566 1031389097 /nfs/dbraw/zinc/38/90/97/1031389097.db2.gz GPGHMBZXVFPAIP-UHFFFAOYSA-N 2 0 306.759 3.577 20 0 DHADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@]1(F)Cl ZINC000844924091 1031403543 /nfs/dbraw/zinc/40/35/43/1031403543.db2.gz PFLVVQGFCMUWBG-DGADGQDISA-N 2 0 302.865 3.592 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(O)c1F ZINC000872021277 1031403851 /nfs/dbraw/zinc/40/38/51/1031403851.db2.gz AENNMZJOMYHOGD-HNNXBMFYSA-N 2 0 308.441 3.694 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844924356 1031404277 /nfs/dbraw/zinc/40/42/77/1031404277.db2.gz KMQCTEUXVHJOEK-CFVMTHIKSA-N 2 0 315.288 3.509 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000872021918 1031405081 /nfs/dbraw/zinc/40/50/81/1031405081.db2.gz GEUGPGMMCLSLFX-HCXYKTFWSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccs2)CCN1Cc1ccccc1 ZINC000379636692 1031417399 /nfs/dbraw/zinc/41/73/99/1031417399.db2.gz XOCBDUYIFFVILL-WBVHZDCISA-N 2 0 300.471 3.891 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(OC)c1 ZINC000360433554 1031424484 /nfs/dbraw/zinc/42/44/84/1031424484.db2.gz LPQBXYYAORRZBJ-LJQANCHMSA-N 2 0 302.462 3.610 20 0 DHADRP C1CCC2(C1)C[C@@H]([NH2+]C1CCC([NH+]3CCCCC3)CC1)CCO2 ZINC000872040595 1031425627 /nfs/dbraw/zinc/42/56/27/1031425627.db2.gz ARZNQHGMRVULKM-XBMUEBEBSA-N 2 0 320.521 3.865 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872042636 1031428937 /nfs/dbraw/zinc/42/89/37/1031428937.db2.gz QSDJMUOKINRQIM-LWSMDNFKSA-N 2 0 308.510 3.578 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2ccccn2)CC1)CC1CC1 ZINC000536737445 1031430313 /nfs/dbraw/zinc/43/03/13/1031430313.db2.gz GTBDQSWQTNDHIQ-KRWDZBQOSA-N 2 0 315.505 3.977 20 0 DHADRP C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872059324 1031451281 /nfs/dbraw/zinc/45/12/81/1031451281.db2.gz DPZBYPRXNIKMTC-BZSNNMDCSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872059473 1031451410 /nfs/dbraw/zinc/45/14/10/1031451410.db2.gz FRKCRSIKMDWRQL-DODZYUBVSA-N 2 0 322.537 3.823 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000536848031 1031453978 /nfs/dbraw/zinc/45/39/78/1031453978.db2.gz WTSMNXBHUYFXQS-KJGCVMFHSA-N 2 0 324.896 3.816 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000872069307 1031465000 /nfs/dbraw/zinc/46/50/00/1031465000.db2.gz OSUQALACHJSAHQ-NEWSRXKRSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000536883201 1031468513 /nfs/dbraw/zinc/46/85/13/1031468513.db2.gz RPPHPNINFKZPKS-XUJVJEKNSA-N 2 0 315.288 3.854 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000536883157 1031468779 /nfs/dbraw/zinc/46/87/79/1031468779.db2.gz RDOCFJNJAFWLAS-WCQYABFASA-N 2 0 301.261 3.608 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC(C)(C)Sc3ccccc32)C1 ZINC000872083128 1031479086 /nfs/dbraw/zinc/47/90/86/1031479086.db2.gz HMWATDSVMNGRKR-LZWOXQAQSA-N 2 0 304.503 3.932 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000537017056 1031483153 /nfs/dbraw/zinc/48/31/53/1031483153.db2.gz GRUACDOUBNAWLY-DZGCQCFKSA-N 2 0 312.404 3.813 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000537024612 1031490591 /nfs/dbraw/zinc/49/05/91/1031490591.db2.gz RJQXZSWCKNADNM-WMZOPIPTSA-N 2 0 304.478 3.999 20 0 DHADRP COCC(C)(C)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000872104996 1031496610 /nfs/dbraw/zinc/49/66/10/1031496610.db2.gz XACJGPFLFDDGIT-IEBWSBKVSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000872108602 1031500102 /nfs/dbraw/zinc/50/01/02/1031500102.db2.gz AODUSAXQSFUKDN-XIHRTOKZSA-N 2 0 320.521 3.577 20 0 DHADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000360692160 1031521135 /nfs/dbraw/zinc/52/11/35/1031521135.db2.gz UWJGLPFLEOKQQH-IRXDYDNUSA-N 2 0 304.478 3.576 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000537180636 1031524462 /nfs/dbraw/zinc/52/44/62/1031524462.db2.gz KYIDGJHKMWZYJT-ICSRJNTNSA-N 2 0 302.506 3.919 20 0 DHADRP FC(F)(F)c1cccc(CCCC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666857824 1031534234 /nfs/dbraw/zinc/53/42/34/1031534234.db2.gz KNYJGZGNTOZKJG-INIZCTEOSA-N 2 0 314.395 3.760 20 0 DHADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156034 1031536876 /nfs/dbraw/zinc/53/68/76/1031536876.db2.gz CYZRPLOOGOAJPH-DOTOQJQBSA-N 2 0 321.534 3.614 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)[C@@H]1CCC[NH3+] ZINC000872145816 1031537946 /nfs/dbraw/zinc/53/79/46/1031537946.db2.gz ZSNLLVTWBSMPRE-BXUZGUMPSA-N 2 0 304.356 3.638 20 0 DHADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872156448 1031537988 /nfs/dbraw/zinc/53/79/88/1031537988.db2.gz JXNGGYAVVMNMAO-QFBILLFUSA-N 2 0 301.478 3.510 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CCCS2 ZINC000423481482 1031539016 /nfs/dbraw/zinc/53/90/16/1031539016.db2.gz WTFNQLMUMZLUAE-JKIFEVAISA-N 2 0 320.502 3.729 20 0 DHADRP c1ccc(CC(Cc2ccccc2)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666857865 1031539884 /nfs/dbraw/zinc/53/98/84/1031539884.db2.gz NEWFYAJBWSQJNA-HXUWFJFHSA-N 2 0 308.469 3.572 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000081570889 1031547469 /nfs/dbraw/zinc/54/74/69/1031547469.db2.gz HCOZNPYEPKIUAA-OAHLLOKOSA-N 2 0 315.436 3.538 20 0 DHADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000537294396 1031560264 /nfs/dbraw/zinc/56/02/64/1031560264.db2.gz CQDMURQATHHZSB-FGTMMUONSA-N 2 0 310.526 3.536 20 0 DHADRP Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000360881732 1031600302 /nfs/dbraw/zinc/60/03/02/1031600302.db2.gz ATDXVSVBVHSECM-INIZCTEOSA-N 2 0 313.420 3.747 20 0 DHADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000360983928 1031658051 /nfs/dbraw/zinc/65/80/51/1031658051.db2.gz BTUOPXVYWSBRPT-IAGOWNOFSA-N 2 0 320.525 3.620 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202436 1031757367 /nfs/dbraw/zinc/75/73/67/1031757367.db2.gz RKEVWXLLLURDHP-LLVKDONJSA-N 2 0 322.424 3.865 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2cccc(OC)c2)CC1 ZINC000361152020 1031758670 /nfs/dbraw/zinc/75/86/70/1031758670.db2.gz HVVVSMVHUPYSIT-LJQANCHMSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212798 1031761110 /nfs/dbraw/zinc/76/11/10/1031761110.db2.gz AFPBGXIXJFCMPU-CYBMUJFWSA-N 2 0 316.470 3.562 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2ccccc2OC)CC1 ZINC000361156717 1031761801 /nfs/dbraw/zinc/76/18/01/1031761801.db2.gz SNTFPEFRIOMNIM-GOSISDBHSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1ccccc1C1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CCC1 ZINC000873213472 1031761540 /nfs/dbraw/zinc/76/15/40/1031761540.db2.gz FBUKECHWEFITTC-UHFFFAOYSA-N 2 0 312.482 3.871 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000873222852 1031764594 /nfs/dbraw/zinc/76/45/94/1031764594.db2.gz DBJWACYAQVKJRF-SFHVURJKSA-N 2 0 321.534 3.998 20 0 DHADRP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232186 1031766288 /nfs/dbraw/zinc/76/62/88/1031766288.db2.gz MPXWKWHXLQUYOV-LPHOPBHVSA-N 2 0 318.509 3.584 20 0 DHADRP CC(C)c1cnc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873233076 1031766527 /nfs/dbraw/zinc/76/65/27/1031766527.db2.gz YSEUNAHJNLCDNK-OAHLLOKOSA-N 2 0 307.507 3.669 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1C ZINC000873235968 1031766656 /nfs/dbraw/zinc/76/66/56/1031766656.db2.gz SAKVFJCJTJWRBZ-MRXNPFEDSA-N 2 0 324.468 3.809 20 0 DHADRP FC(F)Oc1cccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873232531 1031766805 /nfs/dbraw/zinc/76/68/05/1031766805.db2.gz GDBMBGMEVSUUHU-MRXNPFEDSA-N 2 0 324.415 3.690 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1OC ZINC000873237944 1031768954 /nfs/dbraw/zinc/76/89/54/1031768954.db2.gz SNNFLTRXEYUCMF-IBGZPJMESA-N 2 0 310.441 3.582 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000873248080 1031771976 /nfs/dbraw/zinc/77/19/76/1031771976.db2.gz ZFJOIMBKVUMOMQ-MGPQQGTHSA-N 2 0 306.416 3.865 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000873250278 1031772210 /nfs/dbraw/zinc/77/22/10/1031772210.db2.gz GDLANLYFKHHAIC-OCBCSQNSSA-N 2 0 318.823 3.895 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000873250068 1031772438 /nfs/dbraw/zinc/77/24/38/1031772438.db2.gz DDTRCEMIBLQBLD-BYCMXARLSA-N 2 0 300.368 3.729 20 0 DHADRP FC(F)(F)CCSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000873249404 1031773115 /nfs/dbraw/zinc/77/31/15/1031773115.db2.gz ACSGHIKZNTYTSO-HZSPNIEDSA-N 2 0 324.456 3.572 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254831 1031774080 /nfs/dbraw/zinc/77/40/80/1031774080.db2.gz BSOHVDSCLQUXSI-IXPVHAAZSA-N 2 0 319.449 3.646 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000873255107 1031774173 /nfs/dbraw/zinc/77/41/73/1031774173.db2.gz DDTRCEMIBLQBLD-CQDKDKBSSA-N 2 0 300.368 3.729 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254585 1031774256 /nfs/dbraw/zinc/77/42/56/1031774256.db2.gz XNLBMVDPRWINQP-DDTOSNHZSA-N 2 0 301.261 3.641 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1Cl ZINC000873250500 1031775178 /nfs/dbraw/zinc/77/51/78/1031775178.db2.gz PMXPNBYVERCFMQ-SOUVJXGZSA-N 2 0 310.869 3.523 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256022 1031776505 /nfs/dbraw/zinc/77/65/05/1031776505.db2.gz LJBWUCJRTDJLOY-XNRPHZJLSA-N 2 0 315.486 3.815 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000873256754 1031776555 /nfs/dbraw/zinc/77/65/55/1031776555.db2.gz QAZTVPGKUULXQS-NIKGAXFTSA-N 2 0 316.395 3.576 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)ccc1Cl ZINC000873256893 1031776695 /nfs/dbraw/zinc/77/66/95/1031776695.db2.gz PMXPNBYVERCFMQ-RBSFLKMASA-N 2 0 310.869 3.523 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873258970 1031777489 /nfs/dbraw/zinc/77/74/89/1031777489.db2.gz WZSUOIJNTREISC-WDSOQIARSA-N 2 0 316.489 3.680 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257337 1031777779 /nfs/dbraw/zinc/77/77/79/1031777779.db2.gz SAMBDRAACXHFPS-UXIGCNINSA-N 2 0 301.459 3.506 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873264023 1031779066 /nfs/dbraw/zinc/77/90/66/1031779066.db2.gz MSGADFKLVRLGEB-QFHLCROWSA-N 2 0 302.437 3.582 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000873268110 1031781254 /nfs/dbraw/zinc/78/12/54/1031781254.db2.gz RFCOWPVDQUQTIG-VXGBXAGGSA-N 2 0 316.367 3.624 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272386 1031784930 /nfs/dbraw/zinc/78/49/30/1031784930.db2.gz UBDKRGAGNNMDTF-RYUDHWBXSA-N 2 0 309.523 3.788 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3cc(N)cc(F)c3)CC2)C1 ZINC000873286989 1031786296 /nfs/dbraw/zinc/78/62/96/1031786296.db2.gz AJGDUYHKMQBPPV-IFXJQAMLSA-N 2 0 319.468 3.541 20 0 DHADRP C[C@@H]1CC2(CC([NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4C)CC3)C2)CO1 ZINC000897778069 1031828314 /nfs/dbraw/zinc/82/83/14/1031828314.db2.gz DJZBWLIWQXXDSC-NBDDTISNSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981415 1031910861 /nfs/dbraw/zinc/91/08/61/1031910861.db2.gz MBJOLFGEUIKGPM-HNNXBMFYSA-N 2 0 304.453 3.753 20 0 DHADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1cccs1 ZINC000294271255 1031911026 /nfs/dbraw/zinc/91/10/26/1031911026.db2.gz RVIPMOPUZZPTIM-HNNXBMFYSA-N 2 0 315.486 3.580 20 0 DHADRP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)O1 ZINC000898048070 1031917555 /nfs/dbraw/zinc/91/75/55/1031917555.db2.gz DXRHKIAGSHDGTD-SFHVURJKSA-N 2 0 308.510 3.721 20 0 DHADRP Cc1ccc(C(=O)C2CC[NH+](CCCCCC[NH3+])CC2)c(C)c1 ZINC000846217814 1031930312 /nfs/dbraw/zinc/93/03/12/1031930312.db2.gz CUHAMXBCOPBJQK-UHFFFAOYSA-N 2 0 316.489 3.717 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3scnc3c1)CC2 ZINC001144744526 1031930365 /nfs/dbraw/zinc/93/03/65/1031930365.db2.gz YKJHXKLFCYLSQB-UHFFFAOYSA-N 2 0 315.486 3.604 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000846221839 1031933818 /nfs/dbraw/zinc/93/38/18/1031933818.db2.gz RCNNHOKWTHQRIO-HNNXBMFYSA-N 2 0 303.475 3.952 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000561497194 1031934112 /nfs/dbraw/zinc/93/41/12/1031934112.db2.gz WBGFSFDSMLMQNT-ICSRJNTNSA-N 2 0 318.505 3.530 20 0 DHADRP Cc1ccc(C)c([C@H]2C[N@H+](CCCCCC[NH3+])[C@@H](C)CO2)c1 ZINC000846219335 1031934688 /nfs/dbraw/zinc/93/46/88/1031934688.db2.gz OQMJUSYOBDLJRK-PKOBYXMFSA-N 2 0 304.478 3.584 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000105480755 1032043226 /nfs/dbraw/zinc/04/32/26/1032043226.db2.gz WYAQRLULVYIUKC-UTKZUKDTSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000044515693 1032050241 /nfs/dbraw/zinc/05/02/41/1032050241.db2.gz WFCMFAUAMLTVBX-LBPRGKRZSA-N 2 0 300.368 3.698 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)(C)O ZINC000294539259 1032051669 /nfs/dbraw/zinc/05/16/69/1032051669.db2.gz AMVCEUXSONDCOP-CTWPCTMYSA-N 2 0 318.505 3.569 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172653692 1033304369 /nfs/dbraw/zinc/30/43/69/1033304369.db2.gz MTJRJOLFRSFFLT-UHFFFAOYSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000539382819 1033341686 /nfs/dbraw/zinc/34/16/86/1033341686.db2.gz QSTUZIZGCFRMFX-AZUAARDMSA-N 2 0 300.490 3.673 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1sccc1Br ZINC000873271654 1033348102 /nfs/dbraw/zinc/34/81/02/1033348102.db2.gz JBJCRBCFOGCGED-VHSXEESVSA-N 2 0 317.296 3.549 20 0 DHADRP C[NH+](C)C1CC[NH+](C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172823363 1033388107 /nfs/dbraw/zinc/38/81/07/1033388107.db2.gz RTNMYHYUHKLQFJ-UHFFFAOYSA-N 2 0 300.490 3.814 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(CC3CCC3)CC1)CC2 ZINC001172829066 1033393676 /nfs/dbraw/zinc/39/36/76/1033393676.db2.gz SPJYKHGFXQUWRB-FQEVSTJZSA-N 2 0 312.501 3.836 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCC1CC[NH+](C)CC1 ZINC001172836635 1033399035 /nfs/dbraw/zinc/39/90/35/1033399035.db2.gz GSSCKOMREZJWIP-CYBMUJFWSA-N 2 0 312.860 3.732 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000877697932 1033412439 /nfs/dbraw/zinc/41/24/39/1033412439.db2.gz SCTXAKWFCWXLRN-YJBOKZPZSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001172854683 1033424585 /nfs/dbraw/zinc/42/45/85/1033424585.db2.gz WVTHZMMZGJEFDS-ZDUSSCGKSA-N 2 0 312.860 3.684 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534465 1033464902 /nfs/dbraw/zinc/46/49/02/1033464902.db2.gz VQTSVGCWCDHNIN-MAUKXSAKSA-N 2 0 302.462 3.514 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001172929664 1033475903 /nfs/dbraw/zinc/47/59/03/1033475903.db2.gz ORMPUYTWVBARMP-IAGOWNOFSA-N 2 0 322.880 3.547 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3(C)CC(F)(F)C3)CC2)C1 ZINC000877833552 1033479717 /nfs/dbraw/zinc/47/97/17/1033479717.db2.gz IHALABJGPVTYGA-HIFRSBDPSA-N 2 0 300.437 3.807 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000152384080 1033515967 /nfs/dbraw/zinc/51/59/67/1033515967.db2.gz WHOUFECTGYEPEG-KGLIPLIRSA-N 2 0 324.415 3.731 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000152452500 1033525806 /nfs/dbraw/zinc/52/58/06/1033525806.db2.gz KFTLBNKEKOAYHL-CJNGLKHVSA-N 2 0 324.415 3.813 20 0 DHADRP CC1(C)C[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C(C)(C)O1 ZINC000877971915 1033537318 /nfs/dbraw/zinc/53/73/18/1033537318.db2.gz SSWAXQBIMBDZJB-MRXNPFEDSA-N 2 0 308.510 3.530 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@H](c2ccccc2)N(C)C)CC1 ZINC001173101654 1033540891 /nfs/dbraw/zinc/54/08/91/1033540891.db2.gz MZLBYODDTJXOMC-SOAGJPPSSA-N 2 0 317.521 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001173102094 1033540971 /nfs/dbraw/zinc/54/09/71/1033540971.db2.gz SCOIBGNARSVNCA-MNNVXMFVSA-N 2 0 306.469 3.999 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3cc(OC)ccc32)CC1 ZINC001173105126 1033542495 /nfs/dbraw/zinc/54/24/95/1033542495.db2.gz AOJWAJGHZWOGIY-UHYCVJNDSA-N 2 0 316.489 3.925 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCc2ccc(C)nc2)CC1 ZINC001173104481 1033542791 /nfs/dbraw/zinc/54/27/91/1033542791.db2.gz QNZPTKNWUNFRSK-UHFFFAOYSA-N 2 0 303.494 3.565 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(c3cccc(OC)c3)CC2)CC1 ZINC001173107064 1033545581 /nfs/dbraw/zinc/54/55/81/1033545581.db2.gz IZXDUJYHYPHAAK-UHFFFAOYSA-N 2 0 316.489 3.927 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3ccc(OC)cc3C2)CC1 ZINC001173109308 1033545601 /nfs/dbraw/zinc/54/56/01/1033545601.db2.gz GMVLXQDKCBUQSW-UHFFFAOYSA-N 2 0 316.489 3.706 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CCc3ccccc3O2)CC1 ZINC001173110723 1033547651 /nfs/dbraw/zinc/54/76/51/1033547651.db2.gz SNBQXCPETSWSFX-CTWPCTMYSA-N 2 0 316.489 3.623 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001173115214 1033547990 /nfs/dbraw/zinc/54/79/90/1033547990.db2.gz ZIASJOGTACPWJS-LMDPOFIKSA-N 2 0 315.505 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CC(Oc3ccc(F)cc3)C2)CC1 ZINC001173112959 1033549307 /nfs/dbraw/zinc/54/93/07/1033549307.db2.gz FONHFPZTZILPME-UHFFFAOYSA-N 2 0 320.452 3.542 20 0 DHADRP CC[NH+](CC)CCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173194377 1033588041 /nfs/dbraw/zinc/58/80/41/1033588041.db2.gz UIHOQVXXIMVIDA-UHFFFAOYSA-N 2 0 304.478 3.698 20 0 DHADRP [NH3+]CCC1CCC([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173199017 1033589734 /nfs/dbraw/zinc/58/97/34/1033589734.db2.gz PEOQETDVUMAMMT-UHFFFAOYSA-N 2 0 316.489 3.874 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001173237614 1033646000 /nfs/dbraw/zinc/64/60/00/1033646000.db2.gz CTHZUKZPXDHBAD-INIZCTEOSA-N 2 0 300.490 3.644 20 0 DHADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286033 1033648342 /nfs/dbraw/zinc/64/83/42/1033648342.db2.gz JIZLZAZINJGGFT-BFYDXBDKSA-N 2 0 312.448 3.761 20 0 DHADRP CC(C)COc1cccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000553512263 1033721542 /nfs/dbraw/zinc/72/15/42/1033721542.db2.gz BIBZWRDZUPRJFD-LJQANCHMSA-N 2 0 316.489 3.639 20 0 DHADRP Cc1cccc(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000645775965 1033805449 /nfs/dbraw/zinc/80/54/49/1033805449.db2.gz OFTUSMWOHCXZSM-UHFFFAOYSA-N 2 0 315.505 3.521 20 0 DHADRP CCCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000667518263 1033813571 /nfs/dbraw/zinc/81/35/71/1033813571.db2.gz VKLVLONPYDBOIS-KRWDZBQOSA-N 2 0 304.478 3.557 20 0 DHADRP C[NH+]1CCC(C[NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173683882 1033816849 /nfs/dbraw/zinc/81/68/49/1033816849.db2.gz JDVBBXGYXSWICF-UHFFFAOYSA-N 2 0 312.501 3.745 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000927123916 1033950661 /nfs/dbraw/zinc/95/06/61/1033950661.db2.gz DTIVZFYMWLNDSR-XBMUEBEBSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@@H]1C[N@H+](CCc2ccc(C(F)(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205985194 1033973192 /nfs/dbraw/zinc/97/31/92/1033973192.db2.gz WNVTVWHQRLNSTL-HIFRSBDPSA-N 2 0 314.395 3.555 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCOC2CCC2)CC1)CC(C)C ZINC000554242968 1034048791 /nfs/dbraw/zinc/04/87/91/1034048791.db2.gz AVXRCFXABXHPDF-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP CC(C)C[N@@H+](Cc1cccc(Cl)n1)CC1CC[NH+](C)CC1 ZINC000879703974 1034092212 /nfs/dbraw/zinc/09/22/12/1034092212.db2.gz HQMZMALALVNKGJ-UHFFFAOYSA-N 2 0 309.885 3.535 20 0 DHADRP CC(C)C[N@H+](C[C@@H]1CCC(F)(F)C1)CC1CC[NH+](C)CC1 ZINC000879703182 1034092990 /nfs/dbraw/zinc/09/29/90/1034092990.db2.gz FJFBOWKHJPRXOO-MRXNPFEDSA-N 2 0 302.453 3.722 20 0 DHADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(SC(F)F)cc1 ZINC000863542611 1034123391 /nfs/dbraw/zinc/12/33/91/1034123391.db2.gz QZHDJFVCWOYBMQ-BXUZGUMPSA-N 2 0 312.429 3.937 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863547962 1034126745 /nfs/dbraw/zinc/12/67/45/1034126745.db2.gz SQQUAUQSXNJTGT-DOMZBBRYSA-N 2 0 307.388 3.514 20 0 DHADRP C[NH2+]C[C@@H](O)c1cccc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)c1 ZINC000863690028 1034176392 /nfs/dbraw/zinc/17/63/92/1034176392.db2.gz IRJIHRURYVSOHG-IIBYNOLFSA-N 2 0 324.468 3.591 20 0 DHADRP CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667669416 1034220952 /nfs/dbraw/zinc/22/09/52/1034220952.db2.gz RGZOSCBGSSLGFC-SFHVURJKSA-N 2 0 320.440 3.720 20 0 DHADRP Cc1ccc(C[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000554585446 1034230805 /nfs/dbraw/zinc/23/08/05/1034230805.db2.gz UABJSOSHVUCTMU-PMACEKPBSA-N 2 0 300.490 3.734 20 0 DHADRP COCCC[C@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000178488956 1034243728 /nfs/dbraw/zinc/24/37/28/1034243728.db2.gz NXDIIFIBAKGCCO-BZSNNMDCSA-N 2 0 318.505 3.548 20 0 DHADRP Cc1cccc2c1[nH+]c(N)n2C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001174392520 1034314058 /nfs/dbraw/zinc/31/40/58/1034314058.db2.gz CURZADHHNWIRSO-UHFFFAOYSA-N 2 0 318.424 3.674 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000480603022 1034336960 /nfs/dbraw/zinc/33/69/60/1034336960.db2.gz RGWATPSWDORVMG-XLIONFOSSA-N 2 0 318.505 3.679 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000480611477 1034339902 /nfs/dbraw/zinc/33/99/02/1034339902.db2.gz KUTORLVYFHSXJW-HOTGVXAUSA-N 2 0 322.468 3.997 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000554861812 1034372286 /nfs/dbraw/zinc/37/22/86/1034372286.db2.gz SCMOWONOLLDJSX-KGLIPLIRSA-N 2 0 314.395 3.740 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(C2CCCCC2)s1 ZINC000554889099 1034392698 /nfs/dbraw/zinc/39/26/98/1034392698.db2.gz GCUVXHARBYDTIL-WMLDXEAASA-N 2 0 321.534 3.963 20 0 DHADRP Fc1cccc(CC2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000480753198 1034430262 /nfs/dbraw/zinc/43/02/62/1034430262.db2.gz ATWDTINXWLAGLJ-ZWKOTPCHSA-N 2 0 302.437 3.507 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000184267337 1034459448 /nfs/dbraw/zinc/45/94/48/1034459448.db2.gz UEEZWJOHKFCYHX-QGZVFWFLSA-N 2 0 309.457 3.837 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000184281616 1034460446 /nfs/dbraw/zinc/46/04/46/1034460446.db2.gz VWCPOPKEBYHDEC-OKZBNKHCSA-N 2 0 303.494 3.799 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000184485775 1034477936 /nfs/dbraw/zinc/47/79/36/1034477936.db2.gz UVZNHFVFKGWLKJ-BRWVUGGUSA-N 2 0 301.478 3.694 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)CCC2 ZINC000480913943 1034503784 /nfs/dbraw/zinc/50/37/84/1034503784.db2.gz YBVMHRZVWNUFSJ-GJZGRUSLSA-N 2 0 321.534 3.795 20 0 DHADRP C[C@@H](CNc1cc[nH+]c2cc(C(F)(F)F)ccc12)C[NH+](C)C ZINC000489022350 1034595225 /nfs/dbraw/zinc/59/52/25/1034595225.db2.gz XLQQDHIMGPTHIA-NSHDSACASA-N 2 0 311.351 3.863 20 0 DHADRP CN1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[C@H]1c1cccs1 ZINC000667873271 1034794467 /nfs/dbraw/zinc/79/44/67/1034794467.db2.gz XEJMUMKIUOEQAK-LFRCEIEQSA-N 2 0 304.503 3.909 20 0 DHADRP C[C@@H]([NH3+])CCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000193290463 1034838561 /nfs/dbraw/zinc/83/85/61/1034838561.db2.gz RYQJTEIJJGKBIG-OAHLLOKOSA-N 2 0 317.477 3.517 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001175352818 1034947269 /nfs/dbraw/zinc/94/72/69/1034947269.db2.gz RXYPLEHPMJXKCL-OALUTQOASA-N 2 0 322.537 3.778 20 0 DHADRP Cc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CCCC2)c1 ZINC000481939296 1035035892 /nfs/dbraw/zinc/03/58/92/1035035892.db2.gz JVEZHTOFWJVFAO-MJGOQNOKSA-N 2 0 300.490 3.879 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCCC2(CCC2)O1 ZINC001175686375 1035084440 /nfs/dbraw/zinc/08/44/40/1035084440.db2.gz DAQSVIDZVPWWIM-SFHVURJKSA-N 2 0 308.510 3.676 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000158902928 1035110389 /nfs/dbraw/zinc/11/03/89/1035110389.db2.gz NBZLZHNWIFKKKZ-QGZVFWFLSA-N 2 0 306.881 3.660 20 0 DHADRP Fc1cccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000162948708 1035119791 /nfs/dbraw/zinc/11/97/91/1035119791.db2.gz JBRFBVZQWQMCLE-UHFFFAOYSA-N 2 0 304.453 3.755 20 0 DHADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000482501312 1035122837 /nfs/dbraw/zinc/12/28/37/1035122837.db2.gz BPTXJUCGVJHDNI-QUCCMNQESA-N 2 0 323.569 3.599 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000482548194 1035131668 /nfs/dbraw/zinc/13/16/68/1035131668.db2.gz DGCVAKKVAZZZJS-OAHLLOKOSA-N 2 0 318.486 3.582 20 0 DHADRP Cc1ccc2cc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000668169454 1035202412 /nfs/dbraw/zinc/20/24/12/1035202412.db2.gz RPMNMFBHQXUYCW-SFHVURJKSA-N 2 0 311.473 3.640 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000903068821 1035281363 /nfs/dbraw/zinc/28/13/63/1035281363.db2.gz NGNVCJUGHITLLA-IBGZPJMESA-N 2 0 316.489 3.718 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000484300799 1035329492 /nfs/dbraw/zinc/32/94/92/1035329492.db2.gz SNCMJJKRIUBKQA-MAUKXSAKSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000484491576 1035342040 /nfs/dbraw/zinc/34/20/40/1035342040.db2.gz ZVPZYCVOKZOYEB-QMIVOQANSA-N 2 0 306.416 3.673 20 0 DHADRP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001177143500 1035352370 /nfs/dbraw/zinc/35/23/70/1035352370.db2.gz WNXBPLMSKABQKI-UXHICEINSA-N 2 0 316.489 3.720 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001177290739 1035360420 /nfs/dbraw/zinc/36/04/20/1035360420.db2.gz VQDRIFSANMMVQD-HZPDHXFCSA-N 2 0 308.466 3.526 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001177299425 1035361231 /nfs/dbraw/zinc/36/12/31/1035361231.db2.gz PWPAMDLWTCHSTP-HNNXBMFYSA-N 2 0 321.534 3.624 20 0 DHADRP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC001177416078 1035369613 /nfs/dbraw/zinc/36/96/13/1035369613.db2.gz HVFHNUILDXTANM-RTBURBONSA-N 2 0 302.506 3.967 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC001177543113 1035379629 /nfs/dbraw/zinc/37/96/29/1035379629.db2.gz ZWPRUDODQPNMAO-QGZVFWFLSA-N 2 0 304.478 3.685 20 0 DHADRP CCO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001177581215 1035382215 /nfs/dbraw/zinc/38/22/15/1035382215.db2.gz KLJVLMPCLIAVAV-VQTJNVASSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000484658929 1035384925 /nfs/dbraw/zinc/38/49/25/1035384925.db2.gz WJCUWGFYMLZQCA-RHSMWYFYSA-N 2 0 308.897 3.839 20 0 DHADRP c1cc(C[NH2+]CCCCCc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC001177631230 1035385376 /nfs/dbraw/zinc/38/53/76/1035385376.db2.gz DIWIYBMOVSXEHV-UHFFFAOYSA-N 2 0 320.440 3.770 20 0 DHADRP CCC1CCC(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001177737383 1035389901 /nfs/dbraw/zinc/38/99/01/1035389901.db2.gz NFQQUNSJIDUBAL-UHFFFAOYSA-N 2 0 318.505 3.933 20 0 DHADRP CCCCN1CCCC[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001177743854 1035390679 /nfs/dbraw/zinc/39/06/79/1035390679.db2.gz OQIQGTUSAUKEFM-QZTJIDSGSA-N 2 0 316.489 3.797 20 0 DHADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904336316 1035401277 /nfs/dbraw/zinc/40/12/77/1035401277.db2.gz NRSQUDKOQCAPNZ-JMSVASOKSA-N 2 0 312.379 3.968 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000904364216 1035407295 /nfs/dbraw/zinc/40/72/95/1035407295.db2.gz IPGPPVSRTFJNAR-XZJROXQQSA-N 2 0 323.278 3.617 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C)CCOCC1 ZINC001178209080 1035415574 /nfs/dbraw/zinc/41/55/74/1035415574.db2.gz UYOFNJRSTQHKMZ-UHFFFAOYSA-N 2 0 318.505 3.551 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc(F)ccc1F ZINC001204219804 1035433907 /nfs/dbraw/zinc/43/39/07/1035433907.db2.gz BHKCMCDUVWBBSD-IRXDYDNUSA-N 2 0 308.416 3.804 20 0 DHADRP CCOc1ccc(Cl)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC001178873760 1035452488 /nfs/dbraw/zinc/45/24/88/1035452488.db2.gz YBDDMQOCLYAYMD-UHFFFAOYSA-N 2 0 310.869 3.703 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC1(C)C ZINC001178977808 1035455370 /nfs/dbraw/zinc/45/53/70/1035455370.db2.gz QLLGDBRBOZZTNL-MSOLQXFVSA-N 2 0 304.478 3.541 20 0 DHADRP C[NH2+]CC1(c2ccc(-c3ccc(CC[NH+](C)C)cc3)cc2)CC1 ZINC000629730985 1035466427 /nfs/dbraw/zinc/46/64/27/1035466427.db2.gz CEJQAMKSIMSMFA-UHFFFAOYSA-N 2 0 308.469 3.709 20 0 DHADRP CCCc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC001179254317 1035470980 /nfs/dbraw/zinc/47/09/80/1035470980.db2.gz YVIRQOWLTGVWAO-UHFFFAOYSA-N 2 0 300.490 3.851 20 0 DHADRP C[C@H](CC1CCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001179285082 1035471843 /nfs/dbraw/zinc/47/18/43/1035471843.db2.gz FVCCQCZQZTXIAM-QGZVFWFLSA-N 2 0 316.489 3.830 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000568814316 1035481848 /nfs/dbraw/zinc/48/18/48/1035481848.db2.gz BYKZCUKLJDMICS-JKSUJKDBSA-N 2 0 306.519 3.659 20 0 DHADRP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001179830334 1035509762 /nfs/dbraw/zinc/50/97/62/1035509762.db2.gz OWMCWPXKEWUCJU-WMZOPIPTSA-N 2 0 318.505 3.653 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205617744 1035535700 /nfs/dbraw/zinc/53/57/00/1035535700.db2.gz NBBDUCRTCUYHBH-WCQYABFASA-N 2 0 318.358 3.651 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189560701 1035551508 /nfs/dbraw/zinc/55/15/08/1035551508.db2.gz TZHKZQHVMZUKNM-MJGOQNOKSA-N 2 0 308.510 3.532 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000190698611 1035631580 /nfs/dbraw/zinc/63/15/80/1035631580.db2.gz QRPSRGXSWHORQE-UHFFFAOYSA-N 2 0 324.468 3.827 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC001180300708 1035636837 /nfs/dbraw/zinc/63/68/37/1035636837.db2.gz CKIPIADNOHGVRB-KRWDZBQOSA-N 2 0 308.897 3.983 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(OC(C)(C)C)cc2)CC[C@H]1C[NH3+] ZINC001205636931 1035646917 /nfs/dbraw/zinc/64/69/17/1035646917.db2.gz FZQOWXDULZJKCB-WBVHZDCISA-N 2 0 304.478 3.671 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(OC(C)(C)C)cc2)CC[C@H]1C[NH3+] ZINC001205636929 1035648444 /nfs/dbraw/zinc/64/84/44/1035648444.db2.gz FZQOWXDULZJKCB-RDJZCZTQSA-N 2 0 304.478 3.671 20 0 DHADRP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1c1ccccc1 ZINC000535472072 1035651388 /nfs/dbraw/zinc/65/13/88/1035651388.db2.gz FNSBNZGCPRQSNF-MISYRCLQSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@H]1CCCCC[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268409 1035674344 /nfs/dbraw/zinc/67/43/44/1035674344.db2.gz KQVMMPYFQJHJDC-KRWDZBQOSA-N 2 0 304.478 3.782 20 0 DHADRP CC(C)[NH2+]C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000191301001 1035677649 /nfs/dbraw/zinc/67/76/49/1035677649.db2.gz CPPFHNZUSKVSCV-VQTJNVASSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000379764375 1035710791 /nfs/dbraw/zinc/71/07/91/1035710791.db2.gz GSUWPKURIYKYCY-IEBWSBKVSA-N 2 0 324.468 3.955 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204278772 1035740244 /nfs/dbraw/zinc/74/02/44/1035740244.db2.gz HACXJDOJKQXKNR-QUCCMNQESA-N 2 0 314.517 3.943 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168467562 1035742548 /nfs/dbraw/zinc/74/25/48/1035742548.db2.gz ITXOSAGHCZOJNA-MRXNPFEDSA-N 2 0 306.469 3.714 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C12CCCCC2 ZINC000539497468 1035755578 /nfs/dbraw/zinc/75/55/78/1035755578.db2.gz XLCYPFDXRHFICT-GUDVDZBRSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000906159542 1035783808 /nfs/dbraw/zinc/78/38/08/1035783808.db2.gz SDAQTCRRYCQAOX-BEFAXECRSA-N 2 0 322.456 3.552 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)C[NH+]1CCCCC1 ZINC000192704030 1035810436 /nfs/dbraw/zinc/81/04/36/1035810436.db2.gz MZBGYMXFWNUDTQ-VQIMIIECSA-N 2 0 301.478 3.645 20 0 DHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000192795853 1035818778 /nfs/dbraw/zinc/81/87/78/1035818778.db2.gz YDIQQSBQYHRRBN-MOPGFXCFSA-N 2 0 323.569 3.597 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000485715611 1035900236 /nfs/dbraw/zinc/90/02/36/1035900236.db2.gz ZPKMHONTTGLTKU-ZDUSSCGKSA-N 2 0 303.475 3.821 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000539980427 1035946524 /nfs/dbraw/zinc/94/65/24/1035946524.db2.gz LXOYFCOTOORAJR-IHPCNDPISA-N 2 0 324.553 3.950 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000540086885 1035966957 /nfs/dbraw/zinc/96/69/57/1035966957.db2.gz VJBNVDXHSQRPJM-KRWDZBQOSA-N 2 0 310.507 3.537 20 0 DHADRP COC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000540145282 1035980863 /nfs/dbraw/zinc/98/08/63/1035980863.db2.gz FNWORACWKWVQBO-SXLOBPIMSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cscn1 ZINC000540144862 1035981297 /nfs/dbraw/zinc/98/12/97/1035981297.db2.gz QLKSORGWMNYRAF-FHERZECASA-N 2 0 307.507 3.837 20 0 DHADRP CC[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000540190650 1035998746 /nfs/dbraw/zinc/99/87/46/1035998746.db2.gz JXTMALWDSUDSHD-OALUTQOASA-N 2 0 317.521 3.613 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000540223119 1036019591 /nfs/dbraw/zinc/01/95/91/1036019591.db2.gz ZYPHJTUQFYFRIC-YZVOILCLSA-N 2 0 316.489 3.792 20 0 DHADRP C[C@@]1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCS1 ZINC000327641100 1036041313 /nfs/dbraw/zinc/04/13/13/1036041313.db2.gz RGVHXBPTNUJSSW-OALUTQOASA-N 2 0 318.530 3.774 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194740602 1036043501 /nfs/dbraw/zinc/04/35/01/1036043501.db2.gz CUTXWWBMFROWDJ-CQSZACIVSA-N 2 0 308.416 3.834 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000467390250 1036054630 /nfs/dbraw/zinc/05/46/30/1036054630.db2.gz VFDHTRMLNPANSA-RHSMWYFYSA-N 2 0 324.896 3.949 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000227327276 1036070437 /nfs/dbraw/zinc/07/04/37/1036070437.db2.gz HSQILERVCCVHCT-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC000153499385 1036075564 /nfs/dbraw/zinc/07/55/64/1036075564.db2.gz BWYPDLGUCLVZQR-MRXNPFEDSA-N 2 0 309.457 3.569 20 0 DHADRP CC(C)COc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000540507004 1036086214 /nfs/dbraw/zinc/08/62/14/1036086214.db2.gz IHOSJUWUGAYKLP-UHFFFAOYSA-N 2 0 318.505 3.885 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CCCC1 ZINC000540605900 1036114822 /nfs/dbraw/zinc/11/48/22/1036114822.db2.gz NJNBQMSCWNMLIH-FQEVSTJZSA-N 2 0 314.473 3.778 20 0 DHADRP C(=C/c1ccncc1)\C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000494929154 1036131154 /nfs/dbraw/zinc/13/11/54/1036131154.db2.gz HGDPHVHPSVDOHS-HWKANZROSA-N 2 0 313.489 3.683 20 0 DHADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000250217639 1036255806 /nfs/dbraw/zinc/25/58/06/1036255806.db2.gz DJIAYPCLYPRGSL-CHWSQXEVSA-N 2 0 300.368 3.840 20 0 DHADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000250217641 1036256761 /nfs/dbraw/zinc/25/67/61/1036256761.db2.gz DJIAYPCLYPRGSL-OLZOCXBDSA-N 2 0 300.368 3.840 20 0 DHADRP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc2cccnc12 ZINC000541535599 1036352229 /nfs/dbraw/zinc/35/22/29/1036352229.db2.gz HFTWDRSBNZGZQN-GOSISDBHSA-N 2 0 323.484 3.707 20 0 DHADRP C[C@@H]([NH2+]CCc1cccc(F)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599142 1036377201 /nfs/dbraw/zinc/37/72/01/1036377201.db2.gz IELOYBUGIRXFNV-ZBFHGGJFSA-N 2 0 322.443 3.750 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000541590070 1036379845 /nfs/dbraw/zinc/37/98/45/1036379845.db2.gz YHZUMZXRSYNTGB-QUCCMNQESA-N 2 0 300.490 3.816 20 0 DHADRP CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC001195985153 1036400632 /nfs/dbraw/zinc/40/06/32/1036400632.db2.gz CZJYIOJSJRIGRR-WOJBJXKFSA-N 2 0 300.490 3.958 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000541772867 1036428360 /nfs/dbraw/zinc/42/83/60/1036428360.db2.gz LGUQYTOHAUTINU-IHWYPQMZSA-N 2 0 306.400 3.585 20 0 DHADRP CCCCOc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542066 1036460120 /nfs/dbraw/zinc/46/01/20/1036460120.db2.gz QNMXOVLZUKAIKN-LJQANCHMSA-N 2 0 304.478 3.816 20 0 DHADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC001182901314 1036479981 /nfs/dbraw/zinc/47/99/81/1036479981.db2.gz AYJNBTVNQLIJCU-IHPCNDPISA-N 2 0 300.490 3.953 20 0 DHADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC001182901316 1036480929 /nfs/dbraw/zinc/48/09/29/1036480929.db2.gz AYJNBTVNQLIJCU-YZGWKJHDSA-N 2 0 300.490 3.953 20 0 DHADRP C(=C\c1ccncc1)\C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000486956467 1036487100 /nfs/dbraw/zinc/48/71/00/1036487100.db2.gz OBHYSKIQTUJZBJ-SREVYHEPSA-N 2 0 321.468 3.871 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC001183146050 1036527096 /nfs/dbraw/zinc/52/70/96/1036527096.db2.gz PUUYVGUIJLGVKE-FXAWDEMLSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@@H](C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC001183268027 1036559079 /nfs/dbraw/zinc/55/90/79/1036559079.db2.gz DHMQUYNNAIMXQL-INIZCTEOSA-N 2 0 312.461 3.916 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C12CCCC2 ZINC001183407722 1036584191 /nfs/dbraw/zinc/58/41/91/1036584191.db2.gz FXJATMWNPMHZTD-QLOLRVAOSA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C12CCCC2 ZINC001183407726 1036585496 /nfs/dbraw/zinc/58/54/96/1036585496.db2.gz FXJATMWNPMHZTD-UMQBVGHOSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487308221 1036649901 /nfs/dbraw/zinc/64/99/01/1036649901.db2.gz LAMBBPARSKLPKS-CZBMUTHLSA-N 2 0 321.468 3.595 20 0 DHADRP C[C@H](CC[NH2+]C/C=C/c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000487309106 1036650486 /nfs/dbraw/zinc/65/04/86/1036650486.db2.gz NFELPCMJDHQTMH-AHKGRUIUSA-N 2 0 309.457 3.595 20 0 DHADRP COc1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)ccc1C ZINC001197193538 1036703379 /nfs/dbraw/zinc/70/33/79/1036703379.db2.gz CIUFKXWAVOXWBV-UHFFFAOYSA-N 2 0 318.505 3.803 20 0 DHADRP Cc1ccccc1OCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001197283475 1036738056 /nfs/dbraw/zinc/73/80/56/1036738056.db2.gz BXIIAKDYZOVRJE-UHFFFAOYSA-N 2 0 318.505 3.962 20 0 DHADRP C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205297023 1036837411 /nfs/dbraw/zinc/83/74/11/1036837411.db2.gz WYWPJKCBPQQZKB-ZFWWWQNUSA-N 2 0 314.395 3.555 20 0 DHADRP C[C@@H]1C[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000488472655 1037040481 /nfs/dbraw/zinc/04/04/81/1037040481.db2.gz XFCDGUHBKJFEPA-RHSMWYFYSA-N 2 0 306.881 3.798 20 0 DHADRP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000488566282 1037082483 /nfs/dbraw/zinc/08/24/83/1037082483.db2.gz HNWSIHYQEYALRQ-OAQYLSRUSA-N 2 0 322.496 3.958 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1OC(F)F ZINC000915683246 1037133632 /nfs/dbraw/zinc/13/36/32/1037133632.db2.gz ZLIRRASHQPFMNK-HOTGVXAUSA-N 2 0 324.415 3.621 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000309663575 1037168206 /nfs/dbraw/zinc/16/82/06/1037168206.db2.gz NPQLOVPODPBARP-LJQANCHMSA-N 2 0 312.432 3.746 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309685311 1037173620 /nfs/dbraw/zinc/17/36/20/1037173620.db2.gz APAORFZGVGTQOM-QFBILLFUSA-N 2 0 312.432 3.826 20 0 DHADRP CC(C)C1CC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309795944 1037183172 /nfs/dbraw/zinc/18/31/72/1037183172.db2.gz QDRCIFRXFBWHKM-HSFDUWRESA-N 2 0 300.490 3.921 20 0 DHADRP Clc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309842162 1037189618 /nfs/dbraw/zinc/18/96/18/1037189618.db2.gz WPCYDLDXSJRSAJ-GOSISDBHSA-N 2 0 314.860 3.952 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000322580985 1037220819 /nfs/dbraw/zinc/22/08/19/1037220819.db2.gz HQVXLRKQLREKJA-SJORKVTESA-N 2 0 310.441 3.565 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310292522 1037225090 /nfs/dbraw/zinc/22/50/90/1037225090.db2.gz ZOEKFGVOVCHCGD-XLIONFOSSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001168501089 1037233192 /nfs/dbraw/zinc/23/31/92/1037233192.db2.gz PJXDZUGUTAWCQX-MRXNPFEDSA-N 2 0 304.453 3.565 20 0 DHADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001199385006 1037255068 /nfs/dbraw/zinc/25/50/68/1037255068.db2.gz YMTPEECMWHIHLD-YLJYHZDGSA-N 2 0 316.489 3.709 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC001200879338 1037457058 /nfs/dbraw/zinc/45/70/58/1037457058.db2.gz FXYJVGMTSOHCBG-LWSMDNFKSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914157 1037577082 /nfs/dbraw/zinc/57/70/82/1037577082.db2.gz LHFHELSJPQMATD-NXEZZACHSA-N 2 0 322.321 3.543 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000397999091 1037577833 /nfs/dbraw/zinc/57/78/33/1037577833.db2.gz DHMRIXGQCBFADQ-OXJNMPFZSA-N 2 0 312.432 3.826 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000493976598 1037603840 /nfs/dbraw/zinc/60/38/40/1037603840.db2.gz JUBSCJKHDUZVKY-UZLBHIALSA-N 2 0 312.457 3.614 20 0 DHADRP COCC(C)(C)C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000494177751 1037661059 /nfs/dbraw/zinc/66/10/59/1037661059.db2.gz ZOXAUUVNIHGCDV-HKUYNNGSSA-N 2 0 318.505 3.549 20 0 DHADRP CCCc1csc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000494173157 1037661188 /nfs/dbraw/zinc/66/11/88/1037661188.db2.gz OWXXCQRMDAOWNI-OAHLLOKOSA-N 2 0 309.523 3.553 20 0 DHADRP CCCc1csc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)n1 ZINC000494181769 1037663294 /nfs/dbraw/zinc/66/32/94/1037663294.db2.gz FHIGTQANAPDNNV-UHFFFAOYSA-N 2 0 323.550 3.943 20 0 DHADRP C[NH+]1CCC(CC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183700093 1037703824 /nfs/dbraw/zinc/70/38/24/1037703824.db2.gz ZJQUPGAWUXKPAB-UHFFFAOYSA-N 2 0 306.416 3.677 20 0 DHADRP COC1CC[NH+](C2CC[NH+](C[C@@H](C)CCC=C(C)C)CC2)CC1 ZINC001201497122 1037715439 /nfs/dbraw/zinc/71/54/39/1037715439.db2.gz UTCQCJPXYQJHJZ-SFHVURJKSA-N 2 0 322.537 3.944 20 0 DHADRP CC(C)CC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201631729 1037800834 /nfs/dbraw/zinc/80/08/34/1037800834.db2.gz ZHYCCFFFYAAROY-WOJBJXKFSA-N 2 0 300.490 3.877 20 0 DHADRP Cc1cc2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc2o1 ZINC001201667047 1037820680 /nfs/dbraw/zinc/82/06/80/1037820680.db2.gz LLKUNWWIVVFPSL-UHFFFAOYSA-N 2 0 322.412 3.632 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000037644175 1037837175 /nfs/dbraw/zinc/83/71/75/1037837175.db2.gz FAQSEVGYPMIXLP-QWHCGFSZSA-N 2 0 300.368 3.698 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000124389393 1037898657 /nfs/dbraw/zinc/89/86/57/1037898657.db2.gz LEDJNWZSBQKCLU-GXTWGEPZSA-N 2 0 321.534 3.884 20 0 DHADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC(C)(C)C)C[C@H]3C2)cc1 ZINC001202073569 1038036486 /nfs/dbraw/zinc/03/64/86/1038036486.db2.gz RFLKYXIEWBPFRE-KDURUIRLSA-N 2 0 300.490 3.795 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000494377726 1038078483 /nfs/dbraw/zinc/07/84/83/1038078483.db2.gz NRYWZIDFTAEPRZ-KRWDZBQOSA-N 2 0 318.505 3.823 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000494380209 1038082990 /nfs/dbraw/zinc/08/29/90/1038082990.db2.gz ZNHUDTMXXFLVHP-QGZVFWFLSA-N 2 0 318.505 3.681 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)s2)cc1 ZINC000571226405 1038114527 /nfs/dbraw/zinc/11/45/27/1038114527.db2.gz OOEVMKHGYYXNIF-HUUCEWRRSA-N 2 0 316.470 3.783 20 0 DHADRP Cc1cscc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000494486700 1038119831 /nfs/dbraw/zinc/11/98/31/1038119831.db2.gz PEJVFXIGUWGCRT-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP Cc1ccoc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000571339658 1038128965 /nfs/dbraw/zinc/12/89/65/1038128965.db2.gz SOYAAEHULLXEDV-RBUKOAKNSA-N 2 0 310.441 3.542 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CC(C)C2)ccc1OC ZINC000775412727 1038383817 /nfs/dbraw/zinc/38/38/17/1038383817.db2.gz ORQZNOBXHUUMSV-SWKXRBFHSA-N 2 0 304.478 3.986 20 0 DHADRP COc1ccc([C@H](C)[N@H+](C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168387802 1038444345 /nfs/dbraw/zinc/44/43/45/1038444345.db2.gz UWSKKFBQJYVDEX-HNNXBMFYSA-N 2 0 302.462 3.562 20 0 DHADRP CSC1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC[NH+](C)CC1 ZINC000589349403 1038467430 /nfs/dbraw/zinc/46/74/30/1038467430.db2.gz LIUXCBGHDSJIJM-KRWDZBQOSA-N 2 0 322.493 3.694 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001191454745 1038510653 /nfs/dbraw/zinc/51/06/53/1038510653.db2.gz QSTJXBMNYSMBIS-NMLBUPMWSA-N 2 0 324.553 3.882 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168392803 1038519250 /nfs/dbraw/zinc/51/92/50/1038519250.db2.gz UGHAWLQGLMEISF-LJQANCHMSA-N 2 0 314.473 3.707 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H](OC)C2CCC2)CC1)CC(C)C ZINC001192490909 1038665147 /nfs/dbraw/zinc/66/51/47/1038665147.db2.gz VJJYYTCRXFQUHM-FQEVSTJZSA-N 2 0 324.553 3.882 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603985 1038683750 /nfs/dbraw/zinc/68/37/50/1038683750.db2.gz SXRJOCAQNBKQDZ-CHWSQXEVSA-N 2 0 300.368 3.512 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205604793 1038692441 /nfs/dbraw/zinc/69/24/41/1038692441.db2.gz XBVOZUFAPANRGB-TZMCWYRMSA-N 2 0 300.368 3.512 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc2C1)CC(C)(C)CC[NH3+] ZINC001168414585 1038983228 /nfs/dbraw/zinc/98/32/28/1038983228.db2.gz GVLTXNUTVBHKPE-RDTXWAMCSA-N 2 0 306.469 3.674 20 0 DHADRP CC[C@@H](CCc1ccccc1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000599046055 1039003992 /nfs/dbraw/zinc/00/39/92/1039003992.db2.gz GLIPPOCKZMKWBR-SFHVURJKSA-N 2 0 320.546 3.815 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc12 ZINC000573707415 1039060771 /nfs/dbraw/zinc/06/07/71/1039060771.db2.gz CCIZVOUPZQDCIH-OAQYLSRUSA-N 2 0 324.468 3.766 20 0 DHADRP CSCCCCC[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000573821786 1039078097 /nfs/dbraw/zinc/07/80/97/1039078097.db2.gz FCSIHOLRIVCLDH-MSOLQXFVSA-N 2 0 306.519 3.945 20 0 DHADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000592495863 1039215685 /nfs/dbraw/zinc/21/56/85/1039215685.db2.gz SYWVERFSXQEZGS-IUODEOHRSA-N 2 0 314.395 3.992 20 0 DHADRP CCCCOc1ccccc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000574319407 1039602236 /nfs/dbraw/zinc/60/22/36/1039602236.db2.gz HNFKKISQHYCMHD-QGZVFWFLSA-N 2 0 304.478 3.685 20 0 DHADRP COc1cccc(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000605322216 1039659153 /nfs/dbraw/zinc/65/91/53/1039659153.db2.gz LRALNJQARKXCOU-HNNXBMFYSA-N 2 0 324.896 3.950 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000574726893 1039769138 /nfs/dbraw/zinc/76/91/38/1039769138.db2.gz SPVBUHAUFVJSJB-UYAOXDASSA-N 2 0 316.489 3.638 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC[NH+](C)CC1 ZINC000594525617 1039834836 /nfs/dbraw/zinc/83/48/36/1039834836.db2.gz XBOUQBVUVDLIGR-QGZVFWFLSA-N 2 0 318.530 3.708 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)C(C)(C)C ZINC000606470169 1039901894 /nfs/dbraw/zinc/90/18/94/1039901894.db2.gz JSWSOEBITBBVCO-KRWDZBQOSA-N 2 0 318.505 3.856 20 0 DHADRP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000595016772 1039980674 /nfs/dbraw/zinc/98/06/74/1039980674.db2.gz SCBOKSXDODFLLB-SJLPKXTDSA-N 2 0 324.509 3.579 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000158195888 1040120651 /nfs/dbraw/zinc/12/06/51/1040120651.db2.gz ZDMAKQPOKWYSPX-UHFFFAOYSA-N 2 0 315.288 3.998 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCSCc2ccccc2)C1 ZINC000534133413 1040727269 /nfs/dbraw/zinc/72/72/69/1040727269.db2.gz GPKGWCHTYPJCNT-IBGZPJMESA-N 2 0 320.546 3.974 20 0 DHADRP C[C@H]([NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccnc1 ZINC000092767892 185338938 /nfs/dbraw/zinc/33/89/38/185338938.db2.gz LACDYRHGZRJTNC-YQMJFVBQSA-N 2 0 323.484 3.889 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000019905743 182163176 /nfs/dbraw/zinc/16/31/76/182163176.db2.gz GBSOQOBPFLFUEB-LBPRGKRZSA-N 2 0 313.283 3.688 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000272309274 130019098 /nfs/dbraw/zinc/01/90/98/130019098.db2.gz FQTLEYBTVKICBB-HNAYVOBHSA-N 2 0 302.437 3.693 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272668935 130051012 /nfs/dbraw/zinc/05/10/12/130051012.db2.gz JXRFNMVVSLWRKV-YJBOKZPZSA-N 2 0 311.473 3.911 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273348140 130110042 /nfs/dbraw/zinc/11/00/42/130110042.db2.gz AKRVSXGSUMTYBP-RTBURBONSA-N 2 0 320.452 3.508 20 0 DHADRP COCCC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000282064496 130899663 /nfs/dbraw/zinc/89/96/63/130899663.db2.gz WIKPQDBTXQNEQW-IBGZPJMESA-N 2 0 322.468 3.615 20 0 DHADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340182816 131010589 /nfs/dbraw/zinc/01/05/89/131010589.db2.gz SIEWNWMMMYPQOS-UXHICEINSA-N 2 0 317.521 3.530 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000340185784 131021140 /nfs/dbraw/zinc/02/11/40/131021140.db2.gz VZEVPJXFVKTZED-LPHOPBHVSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCOC1(C)C ZINC000340186531 131028277 /nfs/dbraw/zinc/02/82/77/131028277.db2.gz SBRUGFZZQZUROQ-APWZRJJASA-N 2 0 316.489 3.718 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000284196081 131057758 /nfs/dbraw/zinc/05/77/58/131057758.db2.gz GIJYOLYQAVOQNC-QWHCGFSZSA-N 2 0 300.899 3.797 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)c1 ZINC000340195290 131133184 /nfs/dbraw/zinc/13/31/84/131133184.db2.gz DFTZUEXMXUGHBQ-VQIMIIECSA-N 2 0 304.478 3.574 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccncc2F)c1 ZINC000340197204 131135054 /nfs/dbraw/zinc/13/50/54/131135054.db2.gz UBCJZCVNVMANRX-HNNXBMFYSA-N 2 0 315.436 3.912 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000285128376 131141543 /nfs/dbraw/zinc/14/15/43/131141543.db2.gz LHSKJQWWMYLNJR-LXPRWKDFSA-N 2 0 304.503 3.525 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340218224 131213507 /nfs/dbraw/zinc/21/35/07/131213507.db2.gz GKSHAYZCSXEMST-INIZCTEOSA-N 2 0 316.489 3.716 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(C)c1 ZINC000286041370 131217549 /nfs/dbraw/zinc/21/75/49/131217549.db2.gz KNWLZEZQJYWILX-LJQANCHMSA-N 2 0 304.478 3.537 20 0 DHADRP Cc1ccnc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000286091772 131219227 /nfs/dbraw/zinc/21/92/27/131219227.db2.gz MUPAOCVYIILDBJ-SFHVURJKSA-N 2 0 323.484 3.953 20 0 DHADRP Cc1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)on1 ZINC000286141305 131222215 /nfs/dbraw/zinc/22/22/15/131222215.db2.gz OZOPLVJABYEFRX-UHFFFAOYSA-N 2 0 313.445 3.516 20 0 DHADRP Cc1ccncc1CCC[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000289044684 131353619 /nfs/dbraw/zinc/35/36/19/131353619.db2.gz AYMMXGBWFYYWDP-UHFFFAOYSA-N 2 0 307.397 3.767 20 0 DHADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297592156 132024238 /nfs/dbraw/zinc/02/42/38/132024238.db2.gz JGYZOUUOHSUWGD-IRXDYDNUSA-N 2 0 309.457 3.832 20 0 DHADRP Cn1cncc1CC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000297885384 132039310 /nfs/dbraw/zinc/03/93/10/132039310.db2.gz QQPYOCFQTSNDGB-UHFFFAOYSA-N 2 0 315.436 3.589 20 0 DHADRP Oc1cccc2c1CC[C@@H]2[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000121094617 132151680 /nfs/dbraw/zinc/15/16/80/132151680.db2.gz MVLNNGVSPSTBMP-FQEVSTJZSA-N 2 0 322.452 3.634 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152412625 335068445 /nfs/dbraw/zinc/06/84/45/335068445.db2.gz PEJGKLVQFOYKLW-KGLIPLIRSA-N 2 0 322.880 3.874 20 0 DHADRP CC1(C)CC[C@@H]1[NH2+]Cc1cncc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000570822148 332822995 /nfs/dbraw/zinc/82/29/95/332822995.db2.gz APYUIVPSIZTKRU-IRXDYDNUSA-N 2 0 301.478 3.638 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000556611573 331720284 /nfs/dbraw/zinc/72/02/84/331720284.db2.gz PYDBWXALYOHANR-YLJYHZDGSA-N 2 0 316.489 3.828 20 0 DHADRP Cc1cccc(C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)c1 ZINC000556886863 331747630 /nfs/dbraw/zinc/74/76/30/331747630.db2.gz PLCKZPHXMZPTEA-SOAGJPPSSA-N 2 0 300.490 3.779 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000556922321 331754140 /nfs/dbraw/zinc/75/41/40/331754140.db2.gz BIVWQIIRJHNTRL-DZGCQCFKSA-N 2 0 318.427 3.962 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2nc3ccccc3c(C)c2Cl)CC1 ZINC000261999538 331775495 /nfs/dbraw/zinc/77/54/95/331775495.db2.gz UYIAWYKSGSUSRB-UHFFFAOYSA-N 2 0 317.864 3.628 20 0 DHADRP Cc1cc(C)c([C@@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C)c1 ZINC000565716903 331777966 /nfs/dbraw/zinc/77/79/66/331777966.db2.gz IJGOJLRLCCDAJI-POAQFYNOSA-N 2 0 316.489 3.501 20 0 DHADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000261725366 331830456 /nfs/dbraw/zinc/83/04/56/331830456.db2.gz MJLKNRZKONSDHQ-RVKKMQEKSA-N 2 0 317.477 3.606 20 0 DHADRP Cc1cccnc1[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000580084759 332932551 /nfs/dbraw/zinc/93/25/51/332932551.db2.gz YDGDZSRQTOBNBV-LJQANCHMSA-N 2 0 309.457 3.523 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699505 331936788 /nfs/dbraw/zinc/93/67/88/331936788.db2.gz NKJKNDYXQMYBPU-SXLOBPIMSA-N 2 0 316.489 3.685 20 0 DHADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000093491418 331948078 /nfs/dbraw/zinc/94/80/78/331948078.db2.gz NOKWZCOUTGKWJA-RRQGHBQHSA-N 2 0 310.844 3.880 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000261754558 331963843 /nfs/dbraw/zinc/96/38/43/331963843.db2.gz PFPBUTODXGUDML-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP FC(F)Oc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000559328511 332026989 /nfs/dbraw/zinc/02/69/89/332026989.db2.gz GLCKYTGBPYWCLK-UHFFFAOYSA-N 2 0 312.404 3.644 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000518471840 332060716 /nfs/dbraw/zinc/06/07/16/332060716.db2.gz TWJVREGFKXIMKE-VQTJNVASSA-N 2 0 300.490 3.818 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000569474135 332099724 /nfs/dbraw/zinc/09/97/24/332099724.db2.gz WSHYGGIEBPLLLF-MHORFTMASA-N 2 0 301.478 3.523 20 0 DHADRP CC(C)c1ccc(OC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000518739406 332139984 /nfs/dbraw/zinc/13/99/84/332139984.db2.gz FUUSYSQJPXNGJB-KRWDZBQOSA-N 2 0 316.489 3.653 20 0 DHADRP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000317786712 332190777 /nfs/dbraw/zinc/19/07/77/332190777.db2.gz AVNCKSAZEIILBO-MJGOQNOKSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(Br)c1 ZINC000569605954 332199955 /nfs/dbraw/zinc/19/99/55/332199955.db2.gz YKXCUVDMJQUQCH-LBPRGKRZSA-N 2 0 319.246 3.759 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000559767117 332280364 /nfs/dbraw/zinc/28/03/64/332280364.db2.gz PYGGSYDYQKNCNZ-GJZGRUSLSA-N 2 0 300.421 3.971 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@@H]2CCC[C@H]21 ZINC000559878516 332288825 /nfs/dbraw/zinc/28/88/25/332288825.db2.gz SUODTMPWGWONAK-YESZJQIVSA-N 2 0 300.471 3.864 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC2CC2)CC1 ZINC000560112448 332311690 /nfs/dbraw/zinc/31/16/90/332311690.db2.gz OICMGWUYNQEECG-KRWDZBQOSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000560236187 332321292 /nfs/dbraw/zinc/32/12/92/332321292.db2.gz FGZLDJHHBQKQRP-JSGCOSHPSA-N 2 0 300.899 3.654 20 0 DHADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000560343151 332332313 /nfs/dbraw/zinc/33/23/13/332332313.db2.gz NBIFLORCGRUFCA-MRXNPFEDSA-N 2 0 318.505 3.558 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000560527907 332351734 /nfs/dbraw/zinc/35/17/34/332351734.db2.gz GOWFOVJUESSEDP-SZMVWBNQSA-N 2 0 306.519 3.984 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)[C@@H]2CCC[C@H]21 ZINC000560529499 332352995 /nfs/dbraw/zinc/35/29/95/332352995.db2.gz NOMYMWOUUHYQKN-GBESFXJTSA-N 2 0 316.464 3.710 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)s2)o1 ZINC000449526765 332359237 /nfs/dbraw/zinc/35/92/37/332359237.db2.gz FOIYJYSZTJGAFB-UHFFFAOYSA-N 2 0 321.490 3.922 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)[C@H](C)C1 ZINC000560569735 332360755 /nfs/dbraw/zinc/36/07/55/332360755.db2.gz JALCJAXGWVOEGQ-RHSMWYFYSA-N 2 0 319.880 3.615 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000449528972 332373939 /nfs/dbraw/zinc/37/39/39/332373939.db2.gz UCKQKBBBFWMLSM-UHFFFAOYSA-N 2 0 301.434 3.552 20 0 DHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000518827430 335113447 /nfs/dbraw/zinc/11/34/47/335113447.db2.gz RWEKPMRCWBMJMN-IEBWSBKVSA-N 2 0 323.569 3.597 20 0 DHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000518827429 335113467 /nfs/dbraw/zinc/11/34/67/335113467.db2.gz RWEKPMRCWBMJMN-HKUYNNGSSA-N 2 0 323.569 3.597 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000178748259 333019640 /nfs/dbraw/zinc/01/96/40/333019640.db2.gz DJEJIRVJHRUOCQ-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc3ccccc23)C1 ZINC000580259498 333043317 /nfs/dbraw/zinc/04/33/17/333043317.db2.gz KIWZFPZWDDUDFF-YOEHRIQHSA-N 2 0 300.471 3.817 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000314321155 333102332 /nfs/dbraw/zinc/10/23/32/333102332.db2.gz HPHMZUHXIQLZHE-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP CCn1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000177978713 333133555 /nfs/dbraw/zinc/13/35/55/333133555.db2.gz SZEZMTRICLRTQE-INIZCTEOSA-N 2 0 314.477 3.594 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183186745 333183655 /nfs/dbraw/zinc/18/36/55/333183655.db2.gz IFDGSNBLKCYBFO-LZLYRXPVSA-N 2 0 316.489 3.999 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C1(c2ccccc2)CCCC1 ZINC000186754953 333222704 /nfs/dbraw/zinc/22/27/04/333222704.db2.gz XDCQLGMUYXOHQA-ZIFCJYIRSA-N 2 0 300.490 3.959 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000390553527 333298192 /nfs/dbraw/zinc/29/81/92/333298192.db2.gz FJIQLRNAMLLVQZ-FQEVSTJZSA-N 2 0 324.468 3.840 20 0 DHADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000319412231 333299053 /nfs/dbraw/zinc/29/90/53/333299053.db2.gz HBILLDOLPPSAJI-GRLGQGAKSA-N 2 0 300.490 3.889 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000488436795 333377225 /nfs/dbraw/zinc/37/72/25/333377225.db2.gz UWCDAYFZZFYEKI-UHFFFAOYSA-N 2 0 308.897 3.936 20 0 DHADRP C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390810410 333394814 /nfs/dbraw/zinc/39/48/14/333394814.db2.gz SPQQBOAPAGHYGM-WIYYLYMNSA-N 2 0 308.469 3.729 20 0 DHADRP C[NH2+]C1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000567865303 333395199 /nfs/dbraw/zinc/39/51/99/333395199.db2.gz UGSAGTPWFIWFRE-UHFFFAOYSA-N 2 0 314.395 3.712 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCS2 ZINC000187166822 333424117 /nfs/dbraw/zinc/42/41/17/333424117.db2.gz RKHYWCGOBNORQR-KRWDZBQOSA-N 2 0 304.503 3.772 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000534058977 333557513 /nfs/dbraw/zinc/55/75/13/333557513.db2.gz KCOXMBPRGGOQCH-MRXNPFEDSA-N 2 0 313.272 3.912 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411716823 333703399 /nfs/dbraw/zinc/70/33/99/333703399.db2.gz HHBCOGGIAYQKQH-QAPCUYQASA-N 2 0 304.503 3.514 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000571495330 333796096 /nfs/dbraw/zinc/79/60/96/333796096.db2.gz TXTQFFHXLXUZEW-SFHVURJKSA-N 2 0 302.462 3.530 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000414153745 333904179 /nfs/dbraw/zinc/90/41/79/333904179.db2.gz RNVCQAAXKPKXKK-HNNXBMFYSA-N 2 0 302.462 3.529 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000414649834 334054649 /nfs/dbraw/zinc/05/46/49/334054649.db2.gz ALJMERRYVMRAQC-SFTDATJTSA-N 2 0 312.501 3.961 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000414659580 334059620 /nfs/dbraw/zinc/05/96/20/334059620.db2.gz LERSAIJBESAYAX-MAUKXSAKSA-N 2 0 310.441 3.531 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000414659584 334059633 /nfs/dbraw/zinc/05/96/33/334059633.db2.gz LERSAIJBESAYAX-YJBOKZPZSA-N 2 0 310.441 3.531 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)cc1 ZINC000414662809 334060999 /nfs/dbraw/zinc/06/09/99/334060999.db2.gz QNFWGHMAZZVLAG-YLJYHZDGSA-N 2 0 324.468 3.743 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414669128 334063792 /nfs/dbraw/zinc/06/37/92/334063792.db2.gz KEFBFVNHFGSCTA-SXLOBPIMSA-N 2 0 322.452 3.531 20 0 DHADRP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)CC1CCCCCC1 ZINC000414721158 334074080 /nfs/dbraw/zinc/07/40/80/334074080.db2.gz AVIJJFREAZYNDD-QGZVFWFLSA-N 2 0 321.534 3.833 20 0 DHADRP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000414730392 334075098 /nfs/dbraw/zinc/07/50/98/334075098.db2.gz DJCGSBVEJYUINV-QGLTVNCISA-N 2 0 300.368 3.668 20 0 DHADRP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000343534280 335175876 /nfs/dbraw/zinc/17/58/76/335175876.db2.gz IOHPDQBQOCZQNM-FUHWJXTLSA-N 2 0 315.848 3.997 20 0 DHADRP C[N@H+](Cc1ccc(-c2ccccc2F)o1)[C@@H]1CCC[NH2+]CC1 ZINC000414748089 334084652 /nfs/dbraw/zinc/08/46/52/334084652.db2.gz IAHSBNMPZLDFOL-CQSZACIVSA-N 2 0 302.393 3.660 20 0 DHADRP C[N@H+](Cc1ccc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000414754360 334085805 /nfs/dbraw/zinc/08/58/05/334085805.db2.gz RXLNFAGPDCEKHD-MRXNPFEDSA-N 2 0 300.471 3.989 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414778542 334092753 /nfs/dbraw/zinc/09/27/53/334092753.db2.gz IZIXSLIINZNWNA-SFTDATJTSA-N 2 0 321.468 3.570 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414782732 334093849 /nfs/dbraw/zinc/09/38/49/334093849.db2.gz OTRFKDDPCKXJRS-GJZGRUSLSA-N 2 0 312.379 3.527 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414792052 334098222 /nfs/dbraw/zinc/09/82/22/334098222.db2.gz BWFLQIMLAPIFCY-YRGRVCCFSA-N 2 0 300.899 3.830 20 0 DHADRP c1ccc(CCCOc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)cc1 ZINC000414798171 334101259 /nfs/dbraw/zinc/10/12/59/334101259.db2.gz ZNQQQTQTXQCSBR-UHFFFAOYSA-N 2 0 324.468 3.540 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414804262 334103682 /nfs/dbraw/zinc/10/36/82/334103682.db2.gz XCRILPLAUAZQOP-FHWLQOOXSA-N 2 0 304.478 3.683 20 0 DHADRP c1ccc(COc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000414808597 334104956 /nfs/dbraw/zinc/10/49/56/334104956.db2.gz FIWNKZNGUPWBTF-YOFSQIOKSA-N 2 0 322.452 3.638 20 0 DHADRP Cc1ccc2cc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)ccc2n1 ZINC000414811124 334105812 /nfs/dbraw/zinc/10/58/12/334105812.db2.gz IZGFKJWOFQJEES-HNNXBMFYSA-N 2 0 305.425 3.853 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000414816292 334106706 /nfs/dbraw/zinc/10/67/06/334106706.db2.gz ZVXYZBCFDCFVEL-LBPRGKRZSA-N 2 0 324.346 3.895 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414822467 334108319 /nfs/dbraw/zinc/10/83/19/334108319.db2.gz ADPQTZOMGPBZLI-PXNSSMCTSA-N 2 0 324.468 3.743 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414841282 334112991 /nfs/dbraw/zinc/11/29/91/334112991.db2.gz ZDWKTPNGYWUXKV-FUNVUKJBSA-N 2 0 313.272 3.799 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414846723 334117827 /nfs/dbraw/zinc/11/78/27/334117827.db2.gz HQMXVNLJOMHMGL-HNNXBMFYSA-N 2 0 315.486 3.598 20 0 DHADRP c1ccc(CC(C[NH2+]CC[C@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000414852286 334126286 /nfs/dbraw/zinc/12/62/86/334126286.db2.gz PQVOECJMNVPXEZ-OAQYLSRUSA-N 2 0 322.496 3.677 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414920944 334181689 /nfs/dbraw/zinc/18/16/89/334181689.db2.gz ZNESIAQAVXFSPB-QGZVFWFLSA-N 2 0 312.457 3.859 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC[NH2+]1 ZINC000414928365 334191174 /nfs/dbraw/zinc/19/11/74/334191174.db2.gz AVVAEPPYVXSOEY-RHSMWYFYSA-N 2 0 314.404 3.848 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414930335 334193948 /nfs/dbraw/zinc/19/39/48/334193948.db2.gz ANBPRYYMAUQEFQ-BBRMVZONSA-N 2 0 314.395 3.616 20 0 DHADRP CC1([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414932659 334195588 /nfs/dbraw/zinc/19/55/88/334195588.db2.gz DAMCNNZYBJHRAA-UHFFFAOYSA-N 2 0 314.395 3.760 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414934522 334196837 /nfs/dbraw/zinc/19/68/37/334196837.db2.gz FCURESGZFRVRQP-XFJVYGCCSA-N 2 0 315.288 3.902 20 0 DHADRP Cc1ccccc1OCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415083333 334272308 /nfs/dbraw/zinc/27/23/08/334272308.db2.gz PTODDHRXWSZGNH-VQTJNVASSA-N 2 0 324.468 3.847 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414946371 334205309 /nfs/dbraw/zinc/20/53/09/334205309.db2.gz TWQSXPMKJLRCMQ-XHDPSFHLSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414956034 334208472 /nfs/dbraw/zinc/20/84/72/334208472.db2.gz MULWXRNCJSDJLB-MLGOLLRUSA-N 2 0 304.434 3.642 20 0 DHADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)c1 ZINC000415082084 334272833 /nfs/dbraw/zinc/27/28/33/334272833.db2.gz NUCKFERYKFTQET-HFSMHLIXSA-N 2 0 324.468 3.845 20 0 DHADRP c1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc(OC2CCCC2)c1 ZINC000414976909 334222776 /nfs/dbraw/zinc/22/27/76/334222776.db2.gz QRKMNAXJQHSIAU-KRWDZBQOSA-N 2 0 302.462 3.630 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414990656 334230430 /nfs/dbraw/zinc/23/04/30/334230430.db2.gz AJENBUHVVABWGS-OXJNMPFZSA-N 2 0 324.468 3.969 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)C1 ZINC000414992425 334230930 /nfs/dbraw/zinc/23/09/30/334230930.db2.gz KMEXRNZEYNEIJL-KBPBESRZSA-N 2 0 302.393 3.693 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000414995105 334233940 /nfs/dbraw/zinc/23/39/40/334233940.db2.gz NBNGWTMMEVMKBK-DOTOQJQBSA-N 2 0 302.462 3.615 20 0 DHADRP COc1cc(Cl)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414996207 334235225 /nfs/dbraw/zinc/23/52/25/334235225.db2.gz GGYDWLXGYOGUSN-CMPLNLGQSA-N 2 0 317.260 3.609 20 0 DHADRP CSC1(C[NH2+][C@H](C)CCc2cccc(C)c2)CC[NH+](C)CC1 ZINC000582151613 334276606 /nfs/dbraw/zinc/27/66/06/334276606.db2.gz HWTASHVDVALJLY-QGZVFWFLSA-N 2 0 320.546 3.733 20 0 DHADRP CC(C)[NH+]1CCC(N(C)Cc2cc(-c3ccccc3)no2)CC1 ZINC000299544212 334256344 /nfs/dbraw/zinc/25/63/44/334256344.db2.gz JOAHTKOLPLTAEW-UHFFFAOYSA-N 2 0 313.445 3.646 20 0 DHADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415013086 334258435 /nfs/dbraw/zinc/25/84/35/334258435.db2.gz URFKCRFEJNDOGB-FCGDIQPGSA-N 2 0 318.892 3.954 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)CCCC[NH3+])c(OC(F)F)cc1C ZINC000415016594 334258707 /nfs/dbraw/zinc/25/87/07/334258707.db2.gz PYHPVYQEHHQLMN-CYBMUJFWSA-N 2 0 300.393 3.512 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415014550 334258889 /nfs/dbraw/zinc/25/88/89/334258889.db2.gz MPMICXNLNZBASI-MRXNPFEDSA-N 2 0 312.457 3.969 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023421 334259480 /nfs/dbraw/zinc/25/94/80/334259480.db2.gz LBNCSIIYLAJQKB-HDJSIYSDSA-N 2 0 310.869 3.593 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000415022367 334259539 /nfs/dbraw/zinc/25/95/39/334259539.db2.gz LMHVDMMHCHSGMN-OEPRFQHASA-N 2 0 324.468 3.996 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415031107 334260228 /nfs/dbraw/zinc/26/02/28/334260228.db2.gz GJKFRQUPCJKLSE-QFBILLFUSA-N 2 0 324.468 3.888 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415031852 334260337 /nfs/dbraw/zinc/26/03/37/334260337.db2.gz HISMCCCPBOWZOT-GRYCIOLGSA-N 2 0 301.261 3.641 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000415047069 334261413 /nfs/dbraw/zinc/26/14/13/334261413.db2.gz DORGISFUHVKHFI-RBUKOAKNSA-N 2 0 314.860 3.877 20 0 DHADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415054512 334261796 /nfs/dbraw/zinc/26/17/96/334261796.db2.gz NQEUKSJYYCWAPJ-BEFAXECRSA-N 2 0 300.421 3.827 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc2n1 ZINC000415060525 334261962 /nfs/dbraw/zinc/26/19/62/334261962.db2.gz YNPXCVBWLLYTPG-AZUAARDMSA-N 2 0 309.457 3.507 20 0 DHADRP COc1cccc2c1CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C2 ZINC000415060423 334262108 /nfs/dbraw/zinc/26/21/08/334262108.db2.gz WTALJWVBIHADCY-AZUAARDMSA-N 2 0 324.468 3.622 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415065943 334262230 /nfs/dbraw/zinc/26/22/30/334262230.db2.gz HZLIVLJXYCKBJP-UHFFFAOYSA-N 2 0 310.441 3.594 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1c(Cl)ccc(F)c1Cl ZINC000415110987 334281916 /nfs/dbraw/zinc/28/19/16/334281916.db2.gz QWNPFTZGGSLKKO-VIFPVBQESA-N 2 0 305.224 3.783 20 0 DHADRP Cc1ccc(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000415112107 334281971 /nfs/dbraw/zinc/28/19/71/334281971.db2.gz CYIGAYHPAJDEOW-CTNGQTDRSA-N 2 0 323.484 3.962 20 0 DHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000415104506 334282774 /nfs/dbraw/zinc/28/27/74/334282774.db2.gz HAUNGPXLQJSCMJ-MOPGFXCFSA-N 2 0 308.510 3.565 20 0 DHADRP C[C@H](CC1CCCCC1)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415128140 334285481 /nfs/dbraw/zinc/28/54/81/334285481.db2.gz RTCFRDKBJKHRPJ-NSISKUIASA-N 2 0 322.537 3.811 20 0 DHADRP CC(C)c1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415130712 334285569 /nfs/dbraw/zinc/28/55/69/334285569.db2.gz RLIGGYBNTXGWEJ-PMACEKPBSA-N 2 0 316.489 3.528 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000531943625 334299944 /nfs/dbraw/zinc/29/99/44/334299944.db2.gz KYWYOHZRPXJQSZ-NRFANRHFSA-N 2 0 308.469 3.859 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000531945808 334301115 /nfs/dbraw/zinc/30/11/15/334301115.db2.gz BEBWZKMTBTVVKA-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP CCC(CC)[C@@H](C[NH2+][C@@H](CC)C1CCOCC1)[NH+]1CCCC1 ZINC000531946531 334304643 /nfs/dbraw/zinc/30/46/43/334304643.db2.gz GCTNPHHWTTZIMF-RBUKOAKNSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000531955197 334306706 /nfs/dbraw/zinc/30/67/06/334306706.db2.gz DYSXNRXDXKMSNS-QGZVFWFLSA-N 2 0 304.478 3.852 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000534794505 334337056 /nfs/dbraw/zinc/33/70/56/334337056.db2.gz GRWLUIQTSKYRLJ-BZNIZROVSA-N 2 0 313.272 3.912 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534977844 334351462 /nfs/dbraw/zinc/35/14/62/334351462.db2.gz ZGWLOEMAFYLUKT-SJLPKXTDSA-N 2 0 324.896 3.664 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000535067699 334363106 /nfs/dbraw/zinc/36/31/06/334363106.db2.gz HYXMJIUDBZTJQB-UHFFFAOYSA-N 2 0 307.507 3.574 20 0 DHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(F)c1 ZINC000353653279 334392238 /nfs/dbraw/zinc/39/22/38/334392238.db2.gz YDCKPRKIPKRAKT-INIZCTEOSA-N 2 0 310.482 3.694 20 0 DHADRP Cc1cc(N2CCC([NH+]3CCCCC3)CC2)c2ccccc2[nH+]1 ZINC000443444064 338451750 /nfs/dbraw/zinc/45/17/50/338451750.db2.gz ODHAJRJKJFFWNN-UHFFFAOYSA-N 2 0 309.457 3.998 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000443640816 338458621 /nfs/dbraw/zinc/45/86/21/338458621.db2.gz OGANROCAEMVRBF-ICSRJNTNSA-N 2 0 322.537 3.802 20 0 DHADRP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cn1 ZINC000343643275 335184270 /nfs/dbraw/zinc/18/42/70/335184270.db2.gz USUXNBKUEZMZIE-QLIIJSOBSA-N 2 0 316.489 3.584 20 0 DHADRP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cn1 ZINC000343643272 335184520 /nfs/dbraw/zinc/18/45/20/335184520.db2.gz USUXNBKUEZMZIE-NMLACTOBSA-N 2 0 316.489 3.584 20 0 DHADRP CN(CCC[N@H+](C)Cc1ccco1)c1cc[nH+]c2ccccc21 ZINC000343757006 335191039 /nfs/dbraw/zinc/19/10/39/335191039.db2.gz BLJHYEXMXNOHSE-UHFFFAOYSA-N 2 0 309.413 3.786 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1ccccc1 ZINC000344156298 335222730 /nfs/dbraw/zinc/22/27/30/335222730.db2.gz KXVIAXDEKLHNPO-UHFFFAOYSA-N 2 0 306.413 3.601 20 0 DHADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000344966596 335288334 /nfs/dbraw/zinc/28/83/34/335288334.db2.gz JUAXSMKAIDNEQS-MSOLQXFVSA-N 2 0 304.503 3.656 20 0 DHADRP CC[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000345191154 335306570 /nfs/dbraw/zinc/30/65/70/335306570.db2.gz QUKGAQOIEFNDBS-CQSZACIVSA-N 2 0 300.368 3.669 20 0 DHADRP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000346142047 335380698 /nfs/dbraw/zinc/38/06/98/335380698.db2.gz OHUBNQWALBVKHY-UHFFFAOYSA-N 2 0 320.440 3.988 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000346143491 335380882 /nfs/dbraw/zinc/38/08/82/335380882.db2.gz YYJKAUVKBYAKDK-VQTJNVASSA-N 2 0 318.505 3.820 20 0 DHADRP CCC[C@@]1(C)CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346206906 335390363 /nfs/dbraw/zinc/39/03/63/335390363.db2.gz RLWZRHGERHOSDW-IBGZPJMESA-N 2 0 312.461 3.978 20 0 DHADRP CCCN(CCn1ccnc1C)Cc1c(F)cccc1Cl ZINC000346270221 335396566 /nfs/dbraw/zinc/39/65/66/335396566.db2.gz CQQYFXCKYGLPPC-UHFFFAOYSA-N 2 0 309.816 3.896 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCCO1 ZINC000346571774 335417218 /nfs/dbraw/zinc/41/72/18/335417218.db2.gz WVGQLGUDTSUEGR-FXAWDEMLSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000347179192 335476146 /nfs/dbraw/zinc/47/61/46/335476146.db2.gz SYFBJUUYJSYELX-OAHLLOKOSA-N 2 0 302.462 3.567 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000348016924 335542414 /nfs/dbraw/zinc/54/24/14/335542414.db2.gz NQWNIBAKOIAWKK-HXUWFJFHSA-N 2 0 316.489 3.784 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(F)cn1 ZINC000352682693 336230052 /nfs/dbraw/zinc/23/00/52/336230052.db2.gz GNLOYGVJGJEIGX-GOSISDBHSA-N 2 0 315.436 3.913 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cn1 ZINC000352701904 336231200 /nfs/dbraw/zinc/23/12/00/336231200.db2.gz PQBQFIFGCXIEJV-KRWDZBQOSA-N 2 0 301.409 3.523 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000532476563 336251081 /nfs/dbraw/zinc/25/10/81/336251081.db2.gz QWPCVOHTLXDHKQ-YJYMSZOUSA-N 2 0 302.437 3.523 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@H]3CCCN(C)C3)c(C)c2c1 ZINC000532505978 336252687 /nfs/dbraw/zinc/25/26/87/336252687.db2.gz QTWIWDKDEFWJHZ-HUUCEWRRSA-N 2 0 316.445 3.742 20 0 DHADRP Clc1ccc2c(c1)nccc2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301244813 336296535 /nfs/dbraw/zinc/29/65/35/336296535.db2.gz KTIXTPYNLXTCRY-HNNXBMFYSA-N 2 0 315.848 3.953 20 0 DHADRP Cc1nc(C)c(C)c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000301698994 336324335 /nfs/dbraw/zinc/32/43/35/336324335.db2.gz RKFIITTURXYWMA-HNNXBMFYSA-N 2 0 324.472 3.503 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000302042972 336345164 /nfs/dbraw/zinc/34/51/64/336345164.db2.gz OFWBFEPKGXCLIQ-INIZCTEOSA-N 2 0 307.441 3.556 20 0 DHADRP COc1ccc([C@@H](CNc2cc[nH+]c(C)c2)[NH+]2CCCC2)cc1 ZINC000302276097 336356622 /nfs/dbraw/zinc/35/66/22/336356622.db2.gz HWHSGBQRUBUPRZ-LJQANCHMSA-N 2 0 311.429 3.648 20 0 DHADRP Cc1cc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc[nH+]1 ZINC000302789236 336369248 /nfs/dbraw/zinc/36/92/48/336369248.db2.gz XWBUSICVHOROBO-UHFFFAOYSA-N 2 0 301.821 3.514 20 0 DHADRP CC(C)c1nc(N(C)C[C@H]2CCC[N@H+](C)C2)cc(C(C)(C)C)n1 ZINC000302905542 336374008 /nfs/dbraw/zinc/37/40/08/336374008.db2.gz SMNWFUKUDUGTNT-HNNXBMFYSA-N 2 0 318.509 3.676 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000514129955 336375038 /nfs/dbraw/zinc/37/50/38/336375038.db2.gz DSIKOGLEDYMNJG-MRXNPFEDSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@H](CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OCc1ccccc1 ZINC000352921687 336377170 /nfs/dbraw/zinc/37/71/70/336377170.db2.gz KFNBUBDPQKMFJL-BLMTVLTRSA-N 2 0 316.489 3.539 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000563976849 336389407 /nfs/dbraw/zinc/38/94/07/336389407.db2.gz VVGXATMSFCZBAZ-SQNIBIBYSA-N 2 0 322.880 3.667 20 0 DHADRP Fc1cccc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1F ZINC000582242286 336391334 /nfs/dbraw/zinc/39/13/34/336391334.db2.gz WCFGYLPULIQGFT-CQSZACIVSA-N 2 0 308.416 3.534 20 0 DHADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353508343 336421436 /nfs/dbraw/zinc/42/14/36/336421436.db2.gz NLFXDTDEVPADDD-GOSISDBHSA-N 2 0 317.477 3.519 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CCC1 ZINC000353945800 336450438 /nfs/dbraw/zinc/45/04/38/336450438.db2.gz RSPFSXQHPXXNDZ-ZACQAIPSSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000355782975 336522159 /nfs/dbraw/zinc/52/21/59/336522159.db2.gz YCHVIOKKVPPZQW-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP CSC1(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCC1 ZINC000356408385 336548697 /nfs/dbraw/zinc/54/86/97/336548697.db2.gz JDYCWKJUUWPUKD-UHFFFAOYSA-N 2 0 304.503 3.658 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCCO2 ZINC000359617833 336680383 /nfs/dbraw/zinc/68/03/83/336680383.db2.gz JLPIZIZLHJGRNQ-SFHVURJKSA-N 2 0 302.462 3.593 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000361774436 336772478 /nfs/dbraw/zinc/77/24/78/336772478.db2.gz SLPDVVFZPOGPAD-HXUWFJFHSA-N 2 0 316.489 3.784 20 0 DHADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000369117869 336858907 /nfs/dbraw/zinc/85/89/07/336858907.db2.gz SFERJHIEGOVHGV-IEBWSBKVSA-N 2 0 313.489 3.572 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000373696693 336969536 /nfs/dbraw/zinc/96/95/36/336969536.db2.gz MYNBKHVPFWPHSN-VAMGGRTRSA-N 2 0 322.537 3.683 20 0 DHADRP CC/C=C/CC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000375485660 337012007 /nfs/dbraw/zinc/01/20/07/337012007.db2.gz HITAEIZEWQKSQD-HVMMPBATSA-N 2 0 307.507 3.608 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000375589224 337013976 /nfs/dbraw/zinc/01/39/76/337013976.db2.gz AAMXGKLQTYNFBS-APWZRJJASA-N 2 0 315.505 3.960 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000582453239 337054243 /nfs/dbraw/zinc/05/42/43/337054243.db2.gz ADKMOMDKMROZOG-CQSZACIVSA-N 2 0 310.844 3.643 20 0 DHADRP COc1cc([C@H](C)[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000377893510 337063460 /nfs/dbraw/zinc/06/34/60/337063460.db2.gz JYJMIQWGPYHWGN-WMLDXEAASA-N 2 0 320.452 3.559 20 0 DHADRP Clc1cc2cccnc2c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000378155677 337067401 /nfs/dbraw/zinc/06/74/01/337067401.db2.gz RLSNGFJDQREWKN-IAGOWNOFSA-N 2 0 315.848 3.605 20 0 DHADRP COc1ccc([C@@H](C)C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000378439948 337072745 /nfs/dbraw/zinc/07/27/45/337072745.db2.gz XJPUMGUXMCTCLA-INIZCTEOSA-N 2 0 316.489 3.795 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000193803746 337080270 /nfs/dbraw/zinc/08/02/70/337080270.db2.gz OCGRITVLCONGRH-WBVHZDCISA-N 2 0 310.551 3.905 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000193803763 337080280 /nfs/dbraw/zinc/08/02/80/337080280.db2.gz OCGRITVLCONGRH-RDJZCZTQSA-N 2 0 310.551 3.905 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Nc1ccccc1 ZINC000582563085 337109679 /nfs/dbraw/zinc/10/96/79/337109679.db2.gz WIZSCXKWYASTCQ-YSTOQKLRSA-N 2 0 315.505 3.586 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000178081820 337160428 /nfs/dbraw/zinc/16/04/28/337160428.db2.gz DAZREYZZOSNVOI-SFHVURJKSA-N 2 0 318.505 3.823 20 0 DHADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000178098647 337160478 /nfs/dbraw/zinc/16/04/78/337160478.db2.gz LGVVTPJZPQOTLO-UONOGXRCSA-N 2 0 309.523 3.923 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000178752845 337164850 /nfs/dbraw/zinc/16/48/50/337164850.db2.gz RICXBXHTOXQCPZ-CQSZACIVSA-N 2 0 315.486 3.803 20 0 DHADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000180970644 337178973 /nfs/dbraw/zinc/17/89/73/337178973.db2.gz RDOCFAKTLKWQBX-HNNXBMFYSA-N 2 0 313.445 3.697 20 0 DHADRP C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000469807423 337191967 /nfs/dbraw/zinc/19/19/67/337191967.db2.gz HWTPTDJLMHBUOW-CVEARBPZSA-N 2 0 304.478 3.856 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2[C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000582932603 337215820 /nfs/dbraw/zinc/21/58/20/337215820.db2.gz KODCJMLLUGYMEY-GFOJFJKKSA-N 2 0 312.501 3.913 20 0 DHADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc(C)c1O ZINC000583051537 337230064 /nfs/dbraw/zinc/23/00/64/337230064.db2.gz UANCPPYLYLSWCC-OAHLLOKOSA-N 2 0 304.478 3.611 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000459784591 337285050 /nfs/dbraw/zinc/28/50/50/337285050.db2.gz OBVUNWBUENGSOS-SHARSMKWSA-N 2 0 306.416 3.677 20 0 DHADRP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCCCC2)O1 ZINC000190979969 337291856 /nfs/dbraw/zinc/29/18/56/337291856.db2.gz BQGVEBHFIYVYIU-MSOLQXFVSA-N 2 0 317.477 3.538 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190978517 337291928 /nfs/dbraw/zinc/29/19/28/337291928.db2.gz ATDZVKDNIZTHMN-MSOLQXFVSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398144234 337307149 /nfs/dbraw/zinc/30/71/49/337307149.db2.gz NIWLZNYMUCHYSW-WIYYLYMNSA-N 2 0 308.469 3.995 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000119266969 337394488 /nfs/dbraw/zinc/39/44/88/337394488.db2.gz CIKSBWQDXBXNEX-NXHRZFHOSA-N 2 0 308.510 3.577 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000420265194 337497750 /nfs/dbraw/zinc/49/77/50/337497750.db2.gz BHMAZYMGBUOKDH-UHFFFAOYSA-N 2 0 321.877 3.634 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420393414 337500560 /nfs/dbraw/zinc/50/05/60/337500560.db2.gz QKQYXIVWGYGPPW-FSPWUOQZSA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000420406335 337500743 /nfs/dbraw/zinc/50/07/43/337500743.db2.gz NRIWYCKGEUKTGN-DLBZAZTESA-N 2 0 300.471 3.539 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000421367209 337532625 /nfs/dbraw/zinc/53/26/25/337532625.db2.gz DFQMCEPMHWGLIQ-UHFFFAOYSA-N 2 0 318.358 3.807 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000571789550 337577032 /nfs/dbraw/zinc/57/70/32/337577032.db2.gz PSXWNKCDDRAHAP-ZDUSSCGKSA-N 2 0 302.384 3.614 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000261912868 337612445 /nfs/dbraw/zinc/61/24/45/337612445.db2.gz JMNYOMXRAOWRRL-UHFFFAOYSA-N 2 0 314.395 3.835 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421866002 337656681 /nfs/dbraw/zinc/65/66/81/337656681.db2.gz ADQIIWVKTFNVLO-HTWSVDAQSA-N 2 0 302.462 3.671 20 0 DHADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422700044 337683474 /nfs/dbraw/zinc/68/34/74/337683474.db2.gz FXVBWONWWZSOSX-VQJXYJGWSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704915 337683597 /nfs/dbraw/zinc/68/35/97/337683597.db2.gz QNTWRFKYHIKALA-QQTQMKHKSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C)C1 ZINC000422730649 337684350 /nfs/dbraw/zinc/68/43/50/337684350.db2.gz MMQWVCAPTFMUBP-BYDUFCQCSA-N 2 0 314.473 3.657 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422734164 337684486 /nfs/dbraw/zinc/68/44/86/337684486.db2.gz SCUNBVMFGKEJPE-ZJUUUORDSA-N 2 0 323.239 3.537 20 0 DHADRP C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422737906 337684744 /nfs/dbraw/zinc/68/47/44/337684744.db2.gz HVTRCDKZWIPDFK-NAZJXLNTSA-N 2 0 316.489 3.624 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2ccccc2n1 ZINC000422780074 337686128 /nfs/dbraw/zinc/68/61/28/337686128.db2.gz JSZFEYPSNMKKLU-VQIMIIECSA-N 2 0 311.473 3.678 20 0 DHADRP [NH3+][C@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422780419 337686204 /nfs/dbraw/zinc/68/62/04/337686204.db2.gz HDCAHJVXWRASGT-LEWJYISDSA-N 2 0 321.468 3.517 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422786315 337686644 /nfs/dbraw/zinc/68/66/44/337686644.db2.gz KTYQWVADXXCTHL-NRSFXHEJSA-N 2 0 304.503 3.678 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422794425 337687037 /nfs/dbraw/zinc/68/70/37/337687037.db2.gz GMWYADCRONJPMP-NSHDSACASA-N 2 0 323.362 3.718 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2ccncc2)cc1 ZINC000422804196 337687273 /nfs/dbraw/zinc/68/72/73/337687273.db2.gz DVGPMCDFIPENRV-VCZJPHHKSA-N 2 0 307.441 3.682 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422852429 337688973 /nfs/dbraw/zinc/68/89/73/337688973.db2.gz ANOXBOSDGQLFRA-SJORKVTESA-N 2 0 312.457 3.619 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422877880 337689717 /nfs/dbraw/zinc/68/97/17/337689717.db2.gz SFNIOGPIIASXQQ-BQFCYCMXSA-N 2 0 304.478 3.650 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422884865 337689997 /nfs/dbraw/zinc/68/99/97/337689997.db2.gz XUABQKCFOMSAFF-KFWWJZLASA-N 2 0 320.477 3.793 20 0 DHADRP c1ccc(-c2cccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000422889448 337690313 /nfs/dbraw/zinc/69/03/13/337690313.db2.gz PPTWFUYEVWPOFK-WCRBZPEASA-N 2 0 306.453 3.769 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422906225 337690656 /nfs/dbraw/zinc/69/06/56/337690656.db2.gz UPYKRKIYTLNZFG-NWDGAFQWSA-N 2 0 318.383 3.708 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000422907579 337690698 /nfs/dbraw/zinc/69/06/98/337690698.db2.gz XCVOMEIHESNEBS-GFCCVEGCSA-N 2 0 311.454 3.914 20 0 DHADRP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422935296 337692449 /nfs/dbraw/zinc/69/24/49/337692449.db2.gz HDJOTHHVBONFJW-KFPRQRBHSA-N 2 0 322.537 3.586 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422940918 337692684 /nfs/dbraw/zinc/69/26/84/337692684.db2.gz NTTWEYWCZMQSIH-QGZVFWFLSA-N 2 0 312.457 3.873 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939781 337692687 /nfs/dbraw/zinc/69/26/87/337692687.db2.gz RSFRXQAIVCWQLE-QGZVFWFLSA-N 2 0 312.457 3.840 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccc2ccccc21 ZINC000422943337 337692878 /nfs/dbraw/zinc/69/28/78/337692878.db2.gz YBYVHPZFAIBMAI-JTSKRJEESA-N 2 0 318.464 3.930 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422984426 337693676 /nfs/dbraw/zinc/69/36/76/337693676.db2.gz AWEZKFFLFTYVMU-MOXGXCLJSA-N 2 0 308.425 3.593 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422959319 337694950 /nfs/dbraw/zinc/69/49/50/337694950.db2.gz RMZNBOSHFIGNFA-LBPRGKRZSA-N 2 0 300.368 3.802 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422967945 337695215 /nfs/dbraw/zinc/69/52/15/337695215.db2.gz PWUORPXHFDYQCG-SFHVURJKSA-N 3 0 317.521 3.526 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423016041 337695693 /nfs/dbraw/zinc/69/56/93/337695693.db2.gz ATOHQVKTYMGOSS-LSDHHAIUSA-N 2 0 323.550 3.884 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000423023305 337696120 /nfs/dbraw/zinc/69/61/20/337696120.db2.gz JLKSPOXGDSGGLJ-KPHUOKFYSA-N 2 0 309.457 3.823 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423045168 337696949 /nfs/dbraw/zinc/69/69/49/337696949.db2.gz CKTKPTHGFQYXLO-NSHDSACASA-N 2 0 305.372 3.637 20 0 DHADRP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423057054 337697449 /nfs/dbraw/zinc/69/74/49/337697449.db2.gz GRRNYCHQAHPORM-ZOWXZIJZSA-N 2 0 300.368 3.539 20 0 DHADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423056180 337697527 /nfs/dbraw/zinc/69/75/27/337697527.db2.gz FLVLYRRPLLMGDQ-IPMKNSEASA-N 2 0 315.505 3.542 20 0 DHADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423056497 337697533 /nfs/dbraw/zinc/69/75/33/337697533.db2.gz GATAENZVZRZQFB-WRTQPQOASA-N 2 0 312.501 3.908 20 0 DHADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423062830 337697863 /nfs/dbraw/zinc/69/78/63/337697863.db2.gz NVOMBZDWYFWJEE-RULNRJAQSA-N 2 0 317.246 3.755 20 0 DHADRP CC1(C)CCC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423063029 337697878 /nfs/dbraw/zinc/69/78/78/337697878.db2.gz VIRTXQGXWIJNGE-VPWXQRGCSA-N 2 0 314.473 3.801 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423069348 337698188 /nfs/dbraw/zinc/69/81/88/337698188.db2.gz AUQZDYLODLUTRB-CEXWTWQISA-N 2 0 301.478 3.519 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000423070027 337698307 /nfs/dbraw/zinc/69/83/07/337698307.db2.gz CBNXBGJBJCVIHG-FXAWDEMLSA-N 2 0 312.457 3.555 20 0 DHADRP Fc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)c1F ZINC000423081513 337698585 /nfs/dbraw/zinc/69/85/85/337698585.db2.gz VBKPFUKPQILOQU-YIONKMFJSA-N 2 0 320.427 3.649 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092321 337698930 /nfs/dbraw/zinc/69/89/30/337698930.db2.gz BIZTVNPVRQTBHF-DDUZABMNSA-N 2 0 313.420 3.585 20 0 DHADRP COCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423107935 337699715 /nfs/dbraw/zinc/69/97/15/337699715.db2.gz QIROKCIKLLHBRV-PGUXBMHVSA-N 2 0 319.276 3.786 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423125383 337700664 /nfs/dbraw/zinc/70/06/64/337700664.db2.gz HYSXSHHISSLDTR-GXTWGEPZSA-N 2 0 311.420 3.715 20 0 DHADRP FC(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423173138 337702335 /nfs/dbraw/zinc/70/23/35/337702335.db2.gz XCGLFSQCBKYREH-SVXVCFNTSA-N 2 0 300.437 3.711 20 0 DHADRP Fc1ccccc1C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423244521 337707019 /nfs/dbraw/zinc/70/70/19/337707019.db2.gz HOXHUWKIAVITLR-OXQOHEQNSA-N 2 0 312.432 3.699 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CC[C@@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000423255121 337707676 /nfs/dbraw/zinc/70/76/76/337707676.db2.gz AVOOGXJLBOTKPI-CABCVRRESA-N 2 0 316.445 3.790 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CC[C@@H]3CCC[NH2+]C3)oc21 ZINC000423264805 337708107 /nfs/dbraw/zinc/70/81/07/337708107.db2.gz ZDIKMFVVRHOBSO-GJZGRUSLSA-N 2 0 316.445 3.872 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CC[C@H]3CCC[NH2+]C3)oc21 ZINC000423264806 337708273 /nfs/dbraw/zinc/70/82/73/337708273.db2.gz ZDIKMFVVRHOBSO-HUUCEWRRSA-N 2 0 316.445 3.872 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423268776 337708294 /nfs/dbraw/zinc/70/82/94/337708294.db2.gz GKPBMTSMSLVZML-RYUDHWBXSA-N 2 0 321.465 3.764 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+][C@H]3CCCC[C@@H]3C[NH3+])oc21 ZINC000423269328 337708314 /nfs/dbraw/zinc/70/83/14/337708314.db2.gz FKXXYXWDSNTJAE-CFVMTHIKSA-N 2 0 302.418 3.610 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423278383 337709032 /nfs/dbraw/zinc/70/90/32/337709032.db2.gz PSVSDPHRDLFHSP-SJLPKXTDSA-N 2 0 323.569 3.773 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423282394 337709315 /nfs/dbraw/zinc/70/93/15/337709315.db2.gz WMRJBLWKTAYWSY-RYUDHWBXSA-N 2 0 321.465 3.764 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423321468 337711723 /nfs/dbraw/zinc/71/17/23/337711723.db2.gz GEHZNTFFHAURCG-FRRDWIJNSA-N 2 0 312.910 3.873 20 0 DHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCC[NH3+])s2)cc1 ZINC000423331878 337712444 /nfs/dbraw/zinc/71/24/44/337712444.db2.gz NBZJUOJUFCGSDO-GFCCVEGCSA-N 2 0 319.474 3.517 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423330783 337712445 /nfs/dbraw/zinc/71/24/45/337712445.db2.gz NTONPRXKWXRSCG-WFASDCNBSA-N 2 0 300.368 3.746 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423337983 337712706 /nfs/dbraw/zinc/71/27/06/337712706.db2.gz UQGKMKVPHDPBPJ-SJCJKPOMSA-N 2 0 309.523 3.789 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423359127 337714199 /nfs/dbraw/zinc/71/41/99/337714199.db2.gz KISACGCDPPYKKK-CVEARBPZSA-N 2 0 312.379 3.888 20 0 DHADRP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423361560 337714591 /nfs/dbraw/zinc/71/45/91/337714591.db2.gz XCRJUDGOWUIXKL-AEFFLSMTSA-N 2 0 304.865 3.561 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423406837 337716014 /nfs/dbraw/zinc/71/60/14/337716014.db2.gz VDQLERVKZQJULS-XEZPLFJOSA-N 2 0 315.486 3.767 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423419858 337716741 /nfs/dbraw/zinc/71/67/41/337716741.db2.gz BEKLAOIGGKICMQ-ABAIWWIYSA-N 2 0 311.267 3.544 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423421487 337716805 /nfs/dbraw/zinc/71/68/05/337716805.db2.gz CFOBSAFBTLRMSL-ZTFGCOKTSA-N 2 0 324.896 3.537 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423425223 337716953 /nfs/dbraw/zinc/71/69/53/337716953.db2.gz DFXBXDWBOAZNPX-XFBWCDHKSA-N 2 0 312.379 3.744 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423377000 337717323 /nfs/dbraw/zinc/71/73/23/337717323.db2.gz VLBQGPMTXLSFLM-ZVDOUQERSA-N 2 0 324.468 3.839 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)sc1Br ZINC000423379898 337717488 /nfs/dbraw/zinc/71/74/88/337717488.db2.gz MGODIIYNZKXCIK-DCAQKATOSA-N 2 0 317.296 3.610 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423377799 337717575 /nfs/dbraw/zinc/71/75/75/337717575.db2.gz KJSFJLKKTDVVLF-BZUAXINKSA-N 2 0 313.489 3.954 20 0 DHADRP COCC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000423384258 337717925 /nfs/dbraw/zinc/71/79/25/337717925.db2.gz HQRPKFJANROKNG-INIZCTEOSA-N 2 0 312.457 3.507 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)c1 ZINC000423389670 337718178 /nfs/dbraw/zinc/71/81/78/337718178.db2.gz ODOIRLIMCYVKBI-ZVDOUQERSA-N 2 0 324.468 3.839 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000423436072 337719000 /nfs/dbraw/zinc/71/90/00/337719000.db2.gz PHKJFCYWTCNVQQ-NWDGAFQWSA-N 2 0 304.356 3.753 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000423437481 337719152 /nfs/dbraw/zinc/71/91/52/337719152.db2.gz MGQOWVIZLFXYSU-DIOULYMOSA-N 2 0 308.466 3.586 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423446343 337719591 /nfs/dbraw/zinc/71/95/91/337719591.db2.gz CNCLDSSGWPLOCS-IFXJQAMLSA-N 2 0 309.413 3.634 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423445209 337719611 /nfs/dbraw/zinc/71/96/11/337719611.db2.gz MLNTXDPUHGNXIU-LWWSYDQCSA-N 2 0 300.368 3.667 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423451968 337719999 /nfs/dbraw/zinc/71/99/99/337719999.db2.gz JBYRZKBSUMEEBH-CABCVRRESA-N 2 0 301.478 3.941 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1-c1cc(C)ccc1C ZINC000423455098 337720267 /nfs/dbraw/zinc/72/02/67/337720267.db2.gz MDWYNTJFVDUGJM-JKSUJKDBSA-N 2 0 314.477 3.576 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423459509 337720510 /nfs/dbraw/zinc/72/05/10/337720510.db2.gz RSRWJWGNGXUIIZ-UUAJXVIYSA-N 2 0 324.390 3.539 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](C[C@H]2CCCO2)c2ccc(F)cc2)C1 ZINC000423461263 337720537 /nfs/dbraw/zinc/72/05/37/337720537.db2.gz BWZIUTFJUIXZHF-JEDBISTDSA-N 2 0 320.452 3.543 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000423461874 337720690 /nfs/dbraw/zinc/72/06/90/337720690.db2.gz OMQGIHQZGVKONK-YWPYICTPSA-N 2 0 311.267 3.617 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423468487 337720967 /nfs/dbraw/zinc/72/09/67/337720967.db2.gz CAKWQORZIJPMHI-ZBFHGGJFSA-N 2 0 308.853 3.676 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)ccc1OC ZINC000423476210 337721513 /nfs/dbraw/zinc/72/15/13/337721513.db2.gz QVMWNOYPTYOLLM-XPKDYRNWSA-N 2 0 310.869 3.907 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423477405 337721727 /nfs/dbraw/zinc/72/17/27/337721727.db2.gz TZFKCOQASUXNAC-MEDZGJRSSA-N 2 0 300.368 3.667 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000423493471 337722613 /nfs/dbraw/zinc/72/26/13/337722613.db2.gz QCVZDPUQPSAEAZ-DFBGVHRSSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423491603 337722718 /nfs/dbraw/zinc/72/27/18/337722718.db2.gz JWYRSYWOWSCCHF-NOLJZWGESA-N 2 0 315.486 3.897 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423495494 337722964 /nfs/dbraw/zinc/72/29/64/337722964.db2.gz FPMSQVUZFHWOAY-QFUCXCTJSA-N 2 0 324.468 3.696 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)C1 ZINC000423499175 337723095 /nfs/dbraw/zinc/72/30/95/337723095.db2.gz HNJNFZFPDGYDME-UXPWSPDFSA-N 2 0 312.432 3.827 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000423497744 337723197 /nfs/dbraw/zinc/72/31/97/337723197.db2.gz ZGRUISLCXJUYDP-XIRDDKMYSA-N 2 0 320.477 3.652 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000423502124 337723419 /nfs/dbraw/zinc/72/34/19/337723419.db2.gz JOEHVSRESOJQAT-FZCLSBEQSA-N 2 0 306.881 3.768 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1F ZINC000423537439 337725026 /nfs/dbraw/zinc/72/50/26/337725026.db2.gz DADXJQXMIFARJD-JXFSHQFZSA-N 2 0 310.844 3.908 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539381 337725071 /nfs/dbraw/zinc/72/50/71/337725071.db2.gz IESPZPUSDOUQEV-BZUAXINKSA-N 2 0 304.437 3.734 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539383 337725096 /nfs/dbraw/zinc/72/50/96/337725096.db2.gz IESPZPUSDOUQEV-OWCLPIDISA-N 2 0 304.437 3.734 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1OC ZINC000423551118 337725440 /nfs/dbraw/zinc/72/54/40/337725440.db2.gz TWBAMFLIQIGKOA-SMKXDYDZSA-N 2 0 322.880 3.777 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423556846 337725468 /nfs/dbraw/zinc/72/54/68/337725468.db2.gz ZHSGIPBYKMHHQH-ZLCQRPCESA-N 2 0 324.921 3.871 20 0 DHADRP CCCC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000536844261 337743060 /nfs/dbraw/zinc/74/30/60/337743060.db2.gz GKVZEEQCRSEHKS-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CCCC[NH+](C)C)C1CCCC1 ZINC000536999257 337862759 /nfs/dbraw/zinc/86/27/59/337862759.db2.gz FKDDDWWRURSUMM-IBGZPJMESA-N 2 0 304.478 3.858 20 0 DHADRP COCC[NH2+]C1CC[NH+]([C@@H](C)c2cccc3ccccc32)CC1 ZINC000516076784 338004027 /nfs/dbraw/zinc/00/40/27/338004027.db2.gz WXCMCQPLQPDBIA-INIZCTEOSA-N 2 0 312.457 3.601 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000516210123 338007461 /nfs/dbraw/zinc/00/74/61/338007461.db2.gz ANUHEDXMGPCGRH-HBFSDRIKSA-N 2 0 323.569 3.740 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000516494821 338013841 /nfs/dbraw/zinc/01/38/41/338013841.db2.gz WIDNDHNMNAJSTJ-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP CC[C@@H]1CCC[N@@H+]1Cc1cncc(C[NH+]2CCC[C@@H]2CC)c1 ZINC000516538837 338014862 /nfs/dbraw/zinc/01/48/62/338014862.db2.gz UGSXTYXSCIKHFN-KDURUIRLSA-N 2 0 301.478 3.830 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000425939180 338019151 /nfs/dbraw/zinc/01/91/51/338019151.db2.gz SEOCWIYMNZXRHH-QNWHQSFQSA-N 2 0 300.899 3.681 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000426314415 338026467 /nfs/dbraw/zinc/02/64/67/338026467.db2.gz XEZHBKDKIFWQQD-ZIFCJYIRSA-N 2 0 302.506 3.899 20 0 DHADRP CCCc1csc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000426401353 338030626 /nfs/dbraw/zinc/03/06/26/338030626.db2.gz ORTDPAFODPWJPH-UHFFFAOYSA-N 2 0 309.523 3.649 20 0 DHADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000428302706 338046341 /nfs/dbraw/zinc/04/63/41/338046341.db2.gz RHGAQOKCXOFXEX-UHFFFAOYSA-N 2 0 307.482 3.660 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2oc(CCC)nc2C)CC1 ZINC000428472250 338054130 /nfs/dbraw/zinc/05/41/30/338054130.db2.gz GSNFBKBGUDXPRQ-UHFFFAOYSA-N 2 0 321.509 3.879 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1oc(C(C)C)nc1C ZINC000428973081 338067313 /nfs/dbraw/zinc/06/73/13/338067313.db2.gz GNESWNOMEUGUCV-UHFFFAOYSA-N 2 0 318.465 3.778 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CC45CCCC5)[C@H]3C2)cc1 ZINC000429401695 338079677 /nfs/dbraw/zinc/07/96/77/338079677.db2.gz AZYDYBRSMGUIOA-MUGJNUQGSA-N 2 0 310.485 3.819 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429423736 338080553 /nfs/dbraw/zinc/08/05/53/338080553.db2.gz YZGVRVKRQGWUEW-OAQYLSRUSA-N 2 0 324.443 3.961 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430586169 338109251 /nfs/dbraw/zinc/10/92/51/338109251.db2.gz VKMNKFPNJDLXSG-APWZRJJASA-N 2 0 312.457 3.668 20 0 DHADRP CC[NH2+]CC1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000430599404 338109537 /nfs/dbraw/zinc/10/95/37/338109537.db2.gz QCIZDMJDMWDPOW-UHFFFAOYSA-N 2 0 312.910 3.754 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753626 338166533 /nfs/dbraw/zinc/16/65/33/338166533.db2.gz VXSNZQFDNYWXCZ-TZMCWYRMSA-N 2 0 321.465 3.740 20 0 DHADRP C[C@H]1C[C@H](N(C)Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000432754721 338166704 /nfs/dbraw/zinc/16/67/04/338166704.db2.gz NHJGZXWKBFXKAV-WDEREUQCSA-N 2 0 306.397 3.681 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC2CCOCC2)CC1)CC1CC1 ZINC000432780034 338167394 /nfs/dbraw/zinc/16/73/94/338167394.db2.gz JLOJNRAQOOEZJO-UHFFFAOYSA-N 2 0 322.537 3.637 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000432793619 338168045 /nfs/dbraw/zinc/16/80/45/338168045.db2.gz PPKUUHBYFQVMDR-AQNXPRMDSA-N 2 0 300.490 3.913 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)cc1C ZINC000433074276 338180323 /nfs/dbraw/zinc/18/03/23/338180323.db2.gz HYJMTBULBVXVRM-HKUYNNGSSA-N 2 0 300.490 3.797 20 0 DHADRP CC[N@H+](Cc1cnc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435393136 338238829 /nfs/dbraw/zinc/23/88/29/338238829.db2.gz ZEYYOGUQMGYEQG-MRXNPFEDSA-N 2 0 315.486 3.774 20 0 DHADRP CC(C)OCCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435691841 338245499 /nfs/dbraw/zinc/24/54/99/338245499.db2.gz FHVNFVLLUWEJIN-KRWDZBQOSA-N 2 0 322.518 3.507 20 0 DHADRP CCCCOCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693307 338245511 /nfs/dbraw/zinc/24/55/11/338245511.db2.gz IRVRUPRYWAOYOK-QGZVFWFLSA-N 2 0 322.518 3.509 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436226497 338262421 /nfs/dbraw/zinc/26/24/21/338262421.db2.gz IMVGZAMOUFRZSJ-UXHICEINSA-N 2 0 300.490 3.719 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436231662 338262651 /nfs/dbraw/zinc/26/26/51/338262651.db2.gz LDTGDEIUXKHHAN-UHFFFAOYSA-N 2 0 303.425 3.519 20 0 DHADRP COCCC1(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)CCCCC1 ZINC000436270009 338264613 /nfs/dbraw/zinc/26/46/13/338264613.db2.gz MXOGRBZORRQGNG-GOSISDBHSA-N 2 0 310.526 3.828 20 0 DHADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436293824 338266846 /nfs/dbraw/zinc/26/68/46/338266846.db2.gz DUQLZMQZRWOWBB-NCXUSEDFSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1ccc2cc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)ccc2n1 ZINC000437591021 338315439 /nfs/dbraw/zinc/31/54/39/338315439.db2.gz ILKWKPNSUHJCSA-UHFFFAOYSA-N 2 0 311.473 3.848 20 0 DHADRP CCSCC[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000437780985 338321239 /nfs/dbraw/zinc/32/12/39/338321239.db2.gz DXDHFVDENBANTO-SJLPKXTDSA-N 2 0 306.519 3.630 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437802770 338322170 /nfs/dbraw/zinc/32/21/70/338322170.db2.gz QVVTXRJVYBCNGG-JQRITLKVSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000438121378 338333392 /nfs/dbraw/zinc/33/33/92/338333392.db2.gz OUECAFGJHLUFIM-SYNHAJSKSA-N 2 0 316.464 3.878 20 0 DHADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000438196642 338336135 /nfs/dbraw/zinc/33/61/35/338336135.db2.gz DIAMRXKFTMRMBC-HXUWFJFHSA-N 2 0 316.489 3.579 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](COC)C2CCCC2)c1 ZINC000446755387 338534978 /nfs/dbraw/zinc/53/49/78/338534978.db2.gz UJUANZQWZQEKSC-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449145170 338596773 /nfs/dbraw/zinc/59/67/73/338596773.db2.gz KRTOZODMQUROCY-LJQANCHMSA-N 2 0 312.542 3.806 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC000449147463 338597051 /nfs/dbraw/zinc/59/70/51/338597051.db2.gz HBJUBZAVQMZRJR-DLBZAZTESA-N 2 0 300.490 3.860 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449170978 338598972 /nfs/dbraw/zinc/59/89/72/338598972.db2.gz JVTVRFCXOOEVNQ-ISXWCOSWSA-N 2 0 308.510 3.719 20 0 DHADRP CC[C@@H](CSC)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449207331 338602406 /nfs/dbraw/zinc/60/24/06/338602406.db2.gz QWBYBKPEXYYFJB-AEFFLSMTSA-N 2 0 320.546 3.813 20 0 DHADRP C[C@H](CCCCO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449434827 338623834 /nfs/dbraw/zinc/62/38/34/338623834.db2.gz SVDNAOGMGLMRNR-MRXNPFEDSA-N 2 0 312.542 3.806 20 0 DHADRP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000451299828 338728892 /nfs/dbraw/zinc/72/88/92/338728892.db2.gz SQTUUWODSGPFJP-GJZGRUSLSA-N 2 0 306.416 3.963 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459298770 339020080 /nfs/dbraw/zinc/02/00/80/339020080.db2.gz KKZSXXZWHXTLPY-PMACEKPBSA-N 2 0 300.490 3.844 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000459725971 339044613 /nfs/dbraw/zinc/04/46/13/339044613.db2.gz FUJYMTGLKGWBQQ-LRYGQEGESA-N 2 0 316.489 3.740 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000459740457 339045514 /nfs/dbraw/zinc/04/55/14/339045514.db2.gz UIRBBXDANTVHIK-LBPRGKRZSA-N 2 0 318.358 3.666 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459793900 339048911 /nfs/dbraw/zinc/04/89/11/339048911.db2.gz UCVGPZGRIQSCGY-HZPDHXFCSA-N 2 0 300.446 3.685 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000459797471 339049106 /nfs/dbraw/zinc/04/91/06/339049106.db2.gz WRLSKIGPTFGSKO-SNVBAGLBSA-N 2 0 307.290 3.876 20 0 DHADRP CCC(CC)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000462116751 339072387 /nfs/dbraw/zinc/07/23/87/339072387.db2.gz QDMFJBDHPUHPEF-OAHLLOKOSA-N 2 0 321.484 3.807 20 0 DHADRP c1cc(C2CCCC2)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000462778905 339088138 /nfs/dbraw/zinc/08/81/38/339088138.db2.gz MFJYTHXYDNCIIO-UHFFFAOYSA-N 2 0 316.489 3.546 20 0 DHADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000462802929 339089845 /nfs/dbraw/zinc/08/98/45/339089845.db2.gz IWCOPNYLCVYKJE-KZNAEPCWSA-N 2 0 310.526 3.680 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2(COC)CCC2)CC1)CC(C)C ZINC000463157517 339107515 /nfs/dbraw/zinc/10/75/15/339107515.db2.gz YPOBYLWICLZIFD-UHFFFAOYSA-N 2 0 324.553 3.883 20 0 DHADRP CCOC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000463278293 339112995 /nfs/dbraw/zinc/11/29/95/339112995.db2.gz NFBHBVQZMOGSSY-RLLQIKCJSA-N 2 0 318.505 3.690 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000467303578 339230572 /nfs/dbraw/zinc/23/05/72/339230572.db2.gz BMXHAGBRKIRPOF-ZSYWTGECSA-N 2 0 310.526 3.682 20 0 DHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000467389587 339236251 /nfs/dbraw/zinc/23/62/51/339236251.db2.gz LDISHDHCCXRHSN-KSSFIOAISA-N 2 0 320.452 3.533 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)[C@H](C)C1 ZINC000467544190 339241749 /nfs/dbraw/zinc/24/17/49/339241749.db2.gz UHDFWMHBOOBPFO-UYAOXDASSA-N 2 0 322.537 3.994 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000468355561 339260509 /nfs/dbraw/zinc/26/05/09/339260509.db2.gz HLZVCDZRSPGTNW-MGPQQGTHSA-N 2 0 312.910 3.939 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)[C@H](C)C1 ZINC000468960994 339276044 /nfs/dbraw/zinc/27/60/44/339276044.db2.gz MDRNEEORLWOQRE-RHSMWYFYSA-N 2 0 308.897 3.938 20 0 DHADRP CCCCOc1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000469182831 339282390 /nfs/dbraw/zinc/28/23/90/339282390.db2.gz ZYNXNTGNDKGLMI-PXNSSMCTSA-N 2 0 318.505 3.728 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469468123 339290617 /nfs/dbraw/zinc/29/06/17/339290617.db2.gz GCMRJRSUKVALDP-QGZVFWFLSA-N 2 0 322.443 3.704 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000469982147 339306732 /nfs/dbraw/zinc/30/67/32/339306732.db2.gz MUGYVWPJJVQQHC-WOJBJXKFSA-N 2 0 300.490 3.769 20 0 DHADRP FC(F)(F)c1cccc(C2([NH2+]C[C@H]3CCC[NH2+]C3)CCC2)c1 ZINC000469986726 339306882 /nfs/dbraw/zinc/30/68/82/339306882.db2.gz FBWUQEBWQVFDCU-ZDUSSCGKSA-N 2 0 312.379 3.674 20 0 DHADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C)cc3)s2)C1 ZINC000470007724 339308282 /nfs/dbraw/zinc/30/82/82/339308282.db2.gz FYOBPQDDKGBVFD-HNNXBMFYSA-N 2 0 300.471 3.765 20 0 DHADRP CC(C)c1ccc(CC[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000470025339 339309056 /nfs/dbraw/zinc/30/90/56/339309056.db2.gz VPADDNPDEQBESX-UHFFFAOYSA-N 2 0 300.490 3.959 20 0 DHADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH+]2C)c1 ZINC000472584797 339374375 /nfs/dbraw/zinc/37/43/75/339374375.db2.gz IVTRJHJBMXKGGZ-QUCCMNQESA-N 2 0 315.505 3.764 20 0 DHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000473061830 339380854 /nfs/dbraw/zinc/38/08/54/339380854.db2.gz ZSHDKAHFAAAGGY-QRVBRYPASA-N 2 0 323.569 3.597 20 0 DHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000473061829 339380949 /nfs/dbraw/zinc/38/09/49/339380949.db2.gz ZSHDKAHFAAAGGY-GUDVDZBRSA-N 2 0 323.569 3.597 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000477927524 339504911 /nfs/dbraw/zinc/50/49/11/339504911.db2.gz OIXSIUDQGCLHCJ-ZIAGYGMSSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)(C)C ZINC000480235597 339564532 /nfs/dbraw/zinc/56/45/32/339564532.db2.gz SZOOUEWXRGKPOQ-BRWVUGGUSA-N 2 0 318.505 3.820 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000480632867 339580689 /nfs/dbraw/zinc/58/06/89/339580689.db2.gz VWRGHYWNFZBQLF-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481245734 339599060 /nfs/dbraw/zinc/59/90/60/339599060.db2.gz KFYHBPXEUCELSN-IRXDYDNUSA-N 2 0 302.462 3.634 20 0 DHADRP CCC[C@H](C)[C@@H](CC)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000483520168 339667969 /nfs/dbraw/zinc/66/79/69/339667969.db2.gz SSZVNOICIMSYQO-RBUKOAKNSA-N 2 0 323.569 3.741 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000483710998 339672306 /nfs/dbraw/zinc/67/23/06/339672306.db2.gz IJYKZHLMIKNNJS-IFXJQAMLSA-N 2 0 304.453 3.771 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000484288149 339683705 /nfs/dbraw/zinc/68/37/05/339683705.db2.gz IADMSXLMGVMPIL-OXQOHEQNSA-N 2 0 318.505 3.573 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000484299078 339684289 /nfs/dbraw/zinc/68/42/89/339684289.db2.gz ZPYDEIJVHAADRU-OXQOHEQNSA-N 2 0 314.473 3.847 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000484500634 339688302 /nfs/dbraw/zinc/68/83/02/339688302.db2.gz NZKJLTUWSFVRNP-FRQCXROJSA-N 2 0 304.478 3.856 20 0 DHADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000488405407 339779922 /nfs/dbraw/zinc/77/99/22/339779922.db2.gz APGUFUCVSGCWGW-INIZCTEOSA-N 2 0 304.478 3.810 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCC[NH+](C)C)CCCO2 ZINC000489575361 339813171 /nfs/dbraw/zinc/81/31/71/339813171.db2.gz VSVPODUYUCEFCR-GOSISDBHSA-N 2 0 304.478 3.955 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000501775198 340088269 /nfs/dbraw/zinc/08/82/69/340088269.db2.gz OXDNHTXIQVNSHZ-UHFFFAOYSA-N 2 0 322.468 3.648 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCSc2ccccc2)CC1 ZINC000501771488 340088338 /nfs/dbraw/zinc/08/83/38/340088338.db2.gz SXHVGQXALPWQAN-UHFFFAOYSA-N 2 0 306.519 3.833 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000501784857 340088626 /nfs/dbraw/zinc/08/86/26/340088626.db2.gz JLSIFXMKVWHRND-UHFFFAOYSA-N 2 0 324.896 3.773 20 0 DHADRP CC(C)C1CCC([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000501878177 340090246 /nfs/dbraw/zinc/09/02/46/340090246.db2.gz YMNRSENTCZLPJK-UHFFFAOYSA-N 2 0 323.569 3.549 20 0 DHADRP CCOc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C(C)C)cc1 ZINC000502683097 340110197 /nfs/dbraw/zinc/11/01/97/340110197.db2.gz LYYZUTSTRDBBQX-GOSISDBHSA-N 2 0 304.478 3.780 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000502688066 340110640 /nfs/dbraw/zinc/11/06/40/340110640.db2.gz VQMWOHIIZXQFKG-GBESFXJTSA-N 2 0 310.526 3.682 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000502712010 340111987 /nfs/dbraw/zinc/11/19/87/340111987.db2.gz LVKIPHFXEDGHDA-MRXNPFEDSA-N 2 0 318.509 3.771 20 0 DHADRP CC[C@H]1C[C@@H](C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000503556785 340130330 /nfs/dbraw/zinc/13/03/30/340130330.db2.gz FWRLJHALJTYCHN-OALUTQOASA-N 2 0 322.537 3.970 20 0 DHADRP CC(C)COc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000503950844 340138389 /nfs/dbraw/zinc/13/83/89/340138389.db2.gz IPDOMYOAOSIPDB-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000504900024 340155287 /nfs/dbraw/zinc/15/52/87/340155287.db2.gz PZLOFGJNGBDITA-HZPDHXFCSA-N 2 0 322.468 3.997 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000507467135 340221041 /nfs/dbraw/zinc/22/10/41/340221041.db2.gz FASAILKKDRXBFI-INIZCTEOSA-N 2 0 311.473 3.947 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C(C)C)cc1 ZINC000507483352 340222092 /nfs/dbraw/zinc/22/20/92/340222092.db2.gz RIWDHOFWLRMJKC-SFHVURJKSA-N 2 0 304.478 3.714 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000507514498 340223703 /nfs/dbraw/zinc/22/37/03/340223703.db2.gz SQZVHMLKOFHPFD-KRWDZBQOSA-N 2 0 303.494 3.951 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507625270 340226670 /nfs/dbraw/zinc/22/66/70/340226670.db2.gz NQFLSKHZVQTKAE-UHFFFAOYSA-N 2 0 314.429 3.846 20 0 DHADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCO1 ZINC000507803655 340232115 /nfs/dbraw/zinc/23/21/15/340232115.db2.gz LASZGYARDSEHOL-SLFFLAALSA-N 2 0 322.537 3.636 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000507952509 340236337 /nfs/dbraw/zinc/23/63/37/340236337.db2.gz RMLKMEBQYJGURV-MANSERQUSA-N 2 0 310.526 3.539 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000402549437 340242210 /nfs/dbraw/zinc/24/22/10/340242210.db2.gz DNHBCPBIXRXGEN-ZQDZILKHSA-N 2 0 306.416 3.865 20 0 DHADRP CCc1oc2ccccc2c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508516705 340245345 /nfs/dbraw/zinc/24/53/45/340245345.db2.gz RMPWWHIIRMZGLY-OAHLLOKOSA-N 2 0 300.446 3.769 20 0 DHADRP CC(C)C1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508722171 340251483 /nfs/dbraw/zinc/25/14/83/340251483.db2.gz RGYOKKDUMSQDDQ-MJGOQNOKSA-N 2 0 300.490 3.923 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000510345771 340296459 /nfs/dbraw/zinc/29/64/59/340296459.db2.gz HWYZTRJJYZMVLS-FSEPTYSPSA-N 2 0 316.489 3.558 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000510396997 340297908 /nfs/dbraw/zinc/29/79/08/340297908.db2.gz OOXSDKFBWFWSMJ-HNAYVOBHSA-N 2 0 304.453 3.867 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000510675221 340306148 /nfs/dbraw/zinc/30/61/48/340306148.db2.gz NKBZZWVABUJZBD-AWEZNQCLSA-N 2 0 322.443 3.750 20 0 DHADRP Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000303218504 340313393 /nfs/dbraw/zinc/31/33/93/340313393.db2.gz UPXCFZNISKXOBZ-NRFANRHFSA-N 2 0 322.496 3.958 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000511152281 340322641 /nfs/dbraw/zinc/32/26/41/340322641.db2.gz YLDZJKDITKYVGZ-UHFFFAOYSA-N 2 0 306.519 3.962 20 0 DHADRP CSc1ccccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000511172321 340323245 /nfs/dbraw/zinc/32/32/45/340323245.db2.gz NGMVMERJAWRIAT-UHFFFAOYSA-N 2 0 306.519 3.962 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512036958 340346320 /nfs/dbraw/zinc/34/63/20/340346320.db2.gz NGQRLHJORAHBCE-RCFWFJCLSA-N 2 0 322.443 3.936 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512036957 340346337 /nfs/dbraw/zinc/34/63/37/340346337.db2.gz NGQRLHJORAHBCE-NJELEJDNSA-N 2 0 322.443 3.936 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512036955 340346347 /nfs/dbraw/zinc/34/63/47/340346347.db2.gz NGQRLHJORAHBCE-IVZVJUQRSA-N 2 0 322.443 3.936 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000236790575 340665038 /nfs/dbraw/zinc/66/50/38/340665038.db2.gz MSVMRKBILIBLIF-UHFFFAOYSA-N 2 0 316.489 3.612 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000539407283 340884328 /nfs/dbraw/zinc/88/43/28/340884328.db2.gz UZFUQFNSWUROKJ-KRWDZBQOSA-N 2 0 318.505 3.853 20 0 DHADRP C[C@H](C[NH2+]C1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000068635330 340919950 /nfs/dbraw/zinc/91/99/50/340919950.db2.gz VNCYHOLCUKCTAT-WLYUNCDWSA-N 2 0 306.416 3.819 20 0 DHADRP CC(C)[C@H](C)C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540491573 340933399 /nfs/dbraw/zinc/93/33/99/340933399.db2.gz DVLKUTFIPHYWAE-SJLPKXTDSA-N 2 0 316.489 3.856 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000541003528 340955634 /nfs/dbraw/zinc/95/56/34/340955634.db2.gz MVZPOIGKSOZJGO-MAUKXSAKSA-N 2 0 304.478 3.763 20 0 DHADRP C[C@@H](c1cccc(Br)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183603 340989597 /nfs/dbraw/zinc/98/95/97/340989597.db2.gz SBSXAZVODRCABZ-LBPRGKRZSA-N 2 0 311.267 3.571 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000130392891 341020708 /nfs/dbraw/zinc/02/07/08/341020708.db2.gz IKAFFNUYBCDROE-KGLIPLIRSA-N 2 0 306.416 3.819 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000543397001 341041917 /nfs/dbraw/zinc/04/19/17/341041917.db2.gz SGUYUXFBOFGVQH-QGZVFWFLSA-N 2 0 312.461 3.834 20 0 DHADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)Cc1ccccc1 ZINC000543447392 341045196 /nfs/dbraw/zinc/04/51/96/341045196.db2.gz HPLBQQGLRZCWCT-OALUTQOASA-N 2 0 302.506 3.967 20 0 DHADRP CN(C/C=C/c1ccc(F)cc1F)CC[C@H]1CCCC[N@@H+]1C ZINC000543632336 341052254 /nfs/dbraw/zinc/05/22/54/341052254.db2.gz UCFPSIOUMDGXMB-FUTAKVPZSA-N 2 0 308.416 3.784 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)CC[N@@H+]1C ZINC000131762627 341111221 /nfs/dbraw/zinc/11/12/21/341111221.db2.gz WBUAFJPWEYGIFA-GJZGRUSLSA-N 2 0 322.443 3.849 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132139776 341117155 /nfs/dbraw/zinc/11/71/55/341117155.db2.gz IUEXZBXCNCRDHJ-KGLIPLIRSA-N 2 0 319.518 3.966 20 0 DHADRP Cc1ccc2[nH+]ccc(N[C@@H]3C[N@@H+](C)Cc4ccccc43)c2c1 ZINC000546173605 341155991 /nfs/dbraw/zinc/15/59/91/341155991.db2.gz XXTXBOHXGJBNQV-HXUWFJFHSA-N 2 0 303.409 3.564 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564317714 341207213 /nfs/dbraw/zinc/20/72/13/341207213.db2.gz OBJGOONCUXLAET-HFTRVMKXSA-N 2 0 302.462 3.567 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000081096036 341279496 /nfs/dbraw/zinc/27/94/96/341279496.db2.gz NPGDFQOKKMPZBN-CZUORRHYSA-N 2 0 314.395 3.868 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000549040707 341284506 /nfs/dbraw/zinc/28/45/06/341284506.db2.gz LVBZBMKDAJAFPK-UHFFFAOYSA-N 2 0 300.899 3.955 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000549613308 341299008 /nfs/dbraw/zinc/29/90/08/341299008.db2.gz DHZSICBVDMJVNR-UFYCRDLUSA-N 2 0 322.537 3.559 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000550621097 341319558 /nfs/dbraw/zinc/31/95/58/341319558.db2.gz BUZRMTHRLHOFDY-FQEVSTJZSA-N 2 0 324.468 3.622 20 0 DHADRP c1c(CC[NH2+][C@H]2CCCCC23CCCC3)nc2n1CCCC2 ZINC000550622361 341319697 /nfs/dbraw/zinc/31/96/97/341319697.db2.gz LUYUAPJSHCTCPQ-KRWDZBQOSA-N 2 0 301.478 3.855 20 0 DHADRP CN(C)c1cccc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000550643843 341320294 /nfs/dbraw/zinc/32/02/94/341320294.db2.gz FZCUQGKUFFEJRX-CTNGQTDRSA-N 2 0 323.484 3.678 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000550818342 341323549 /nfs/dbraw/zinc/32/35/49/341323549.db2.gz LEMVHNMMLVXZAC-YSIASYRMSA-N 2 0 317.521 3.532 20 0 DHADRP COC[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000550909671 341326509 /nfs/dbraw/zinc/32/65/09/341326509.db2.gz CMLSLMPUBASKFF-MHJFOBGBSA-N 2 0 318.505 3.690 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246376306 341345581 /nfs/dbraw/zinc/34/55/81/341345581.db2.gz JSXLIQIHOYUBJC-SJORKVTESA-N 2 0 304.478 3.714 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCCCF)CC1 ZINC000551699058 341349090 /nfs/dbraw/zinc/34/90/90/341349090.db2.gz KCRMVVITYOVTJU-UHFFFAOYSA-N 2 0 306.469 3.970 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CC1 ZINC000551777586 341351085 /nfs/dbraw/zinc/35/10/85/341351085.db2.gz MUEBYEVZGSHTNN-LJQANCHMSA-N 2 0 300.490 3.638 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000246855741 341357766 /nfs/dbraw/zinc/35/77/66/341357766.db2.gz CSXDGYFHORIVTR-KGLIPLIRSA-N 2 0 312.404 3.671 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000246871400 341358060 /nfs/dbraw/zinc/35/80/60/341358060.db2.gz DLIKDMXUKJKEJP-IAGOWNOFSA-N 2 0 304.478 3.856 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246902739 341358402 /nfs/dbraw/zinc/35/84/02/341358402.db2.gz FHHIFRFWSMETFC-CYGHRXIMSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247015419 341359896 /nfs/dbraw/zinc/35/98/96/341359896.db2.gz MNJCYKSHZZIBOH-BZSNNMDCSA-N 2 0 304.478 3.535 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000247061009 341360485 /nfs/dbraw/zinc/36/04/85/341360485.db2.gz NUMNGAUHBLHQKE-JKSUJKDBSA-N 2 0 318.461 3.578 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1F ZINC000552044666 341364534 /nfs/dbraw/zinc/36/45/34/341364534.db2.gz JUHVJYACBSJVQQ-QVDUIBETSA-N 2 0 308.416 3.531 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000552111309 341370450 /nfs/dbraw/zinc/37/04/50/341370450.db2.gz WLWDYUWRKVNBQX-POAQFYNOSA-N 2 0 322.537 3.560 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000248058962 341372890 /nfs/dbraw/zinc/37/28/90/341372890.db2.gz XWPPCLMOFDMFHQ-NSHGMRRFSA-N 2 0 318.505 3.517 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000248124373 341373563 /nfs/dbraw/zinc/37/35/63/341373563.db2.gz NTCNAKZHAGJRSQ-YYAJDYIMSA-N 2 0 304.478 3.507 20 0 DHADRP COCCCCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248394359 341376431 /nfs/dbraw/zinc/37/64/31/341376431.db2.gz HRSAPRXWSQWVDE-RUYXUALKSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248632762 341382228 /nfs/dbraw/zinc/38/22/28/341382228.db2.gz INYXWTFPKVKYNX-BBWFWOEESA-N 2 0 304.503 3.692 20 0 DHADRP COc1ccsc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000248648280 341382743 /nfs/dbraw/zinc/38/27/43/341382743.db2.gz ULDCZQNGQLSUIC-LSDHHAIUSA-N 2 0 310.507 3.919 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000552277543 341383503 /nfs/dbraw/zinc/38/35/03/341383503.db2.gz XWOSCBDWLDISFS-KSTDHSDQSA-N 2 0 324.459 3.996 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248950681 341390636 /nfs/dbraw/zinc/39/06/36/341390636.db2.gz PODOOIRZNZTELM-WFASDCNBSA-N 2 0 300.368 3.586 20 0 DHADRP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249152474 341394759 /nfs/dbraw/zinc/39/47/59/341394759.db2.gz YBLINWZLKLROAF-HRCADAONSA-N 2 0 312.379 3.549 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249206420 341395280 /nfs/dbraw/zinc/39/52/80/341395280.db2.gz WALZUPQGRRNUCJ-NBYUQASBSA-N 2 0 300.490 3.718 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000249381143 341396880 /nfs/dbraw/zinc/39/68/80/341396880.db2.gz RHHLMWHVYRADMP-HZPDHXFCSA-N 2 0 312.457 3.841 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000249407375 341397177 /nfs/dbraw/zinc/39/71/77/341397177.db2.gz XBWWKOIVYQKLJZ-RBSFLKMASA-N 2 0 306.416 3.962 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC000552536862 341397860 /nfs/dbraw/zinc/39/78/60/341397860.db2.gz XLPMXMYCSUBVMS-MJGOQNOKSA-N 2 0 310.526 3.683 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nc(C)ccc3c2)[C@@H](C)C1 ZINC000249498902 341398379 /nfs/dbraw/zinc/39/83/79/341398379.db2.gz HBNOOQILGBGXDQ-YWZLYKJASA-N 2 0 311.473 3.705 20 0 DHADRP CSC1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC[NH+](C)CC1 ZINC000565393360 341526108 /nfs/dbraw/zinc/52/61/08/341526108.db2.gz WMBQTJDWFOCIKJ-INIZCTEOSA-N 2 0 324.921 3.744 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000565610311 341532728 /nfs/dbraw/zinc/53/27/28/341532728.db2.gz XZIFACNDGLOSJG-OALUTQOASA-N 2 0 310.441 3.625 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000566592394 341562580 /nfs/dbraw/zinc/56/25/80/341562580.db2.gz BLONCIBKMPTMTN-UHFFFAOYSA-N 2 0 312.860 3.733 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1sccc1Br ZINC000567655270 341624772 /nfs/dbraw/zinc/62/47/72/341624772.db2.gz VGSZPTOCDMMDOI-WDEREUQCSA-N 2 0 317.296 3.693 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000575242547 341789720 /nfs/dbraw/zinc/78/97/20/341789720.db2.gz OPYWASMHGHPZQX-HNNXBMFYSA-N 2 0 311.429 3.524 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)(C)C ZINC000576617690 341855308 /nfs/dbraw/zinc/85/53/08/341855308.db2.gz GTMWJOQUKUBGLS-QRVBRYPASA-N 2 0 324.553 3.805 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cn2ccccc2n1 ZINC000576887053 341868336 /nfs/dbraw/zinc/86/83/36/341868336.db2.gz QNLYQXAYTIUKEF-KRWDZBQOSA-N 2 0 314.477 3.641 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000577395519 341907966 /nfs/dbraw/zinc/90/79/66/341907966.db2.gz MLUIEVWALKSHBF-QWHCGFSZSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577492922 341912514 /nfs/dbraw/zinc/91/25/14/341912514.db2.gz RMBQYMDODVDIPX-RVHYNSKXSA-N 2 0 324.468 3.729 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423212375 518163615 /nfs/dbraw/zinc/16/36/15/518163615.db2.gz IJAMLWVLNBUNRT-KHYOSLBOSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000363853363 518180787 /nfs/dbraw/zinc/18/07/87/518180787.db2.gz DEJAXPFQGWJQGG-MLYOOKFZSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337336592 519678021 /nfs/dbraw/zinc/67/80/21/519678021.db2.gz MGANYWAZRPXZBN-QWFCFKBJSA-N 2 0 315.505 3.818 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000163317090 521710783 /nfs/dbraw/zinc/71/07/83/521710783.db2.gz FVJOXIRTJLPQGG-IRXDYDNUSA-N 2 0 309.457 3.741 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337343678 522050860 /nfs/dbraw/zinc/05/08/60/522050860.db2.gz SKSVVZVEQXXIFI-XGXHKWSGSA-N 2 0 301.478 3.570 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C)cc1 ZINC000159064484 522562144 /nfs/dbraw/zinc/56/21/44/522562144.db2.gz ZWSWFFXJQLFHOR-IBGZPJMESA-N 2 0 304.478 3.537 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(Cl)cc1 ZINC000159221505 522562275 /nfs/dbraw/zinc/56/22/75/522562275.db2.gz JYWSWAQRRSJELI-SFHVURJKSA-N 2 0 324.896 3.882 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCSCc3ccccc3)C2)C1 ZINC000339435579 523856570 /nfs/dbraw/zinc/85/65/70/523856570.db2.gz CUURXUBNQHVKPP-IBGZPJMESA-N 2 0 318.530 3.728 20 0 DHADRP C[C@@H]1CCc2nc(C[NH2+]CCCCC[NH+]3CCCC3)sc2C1 ZINC000339500147 524733715 /nfs/dbraw/zinc/73/37/15/524733715.db2.gz XQAUPSDXZDXPQJ-OAHLLOKOSA-N 2 0 321.534 3.624 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccsc2S1 ZINC000336828333 525266017 /nfs/dbraw/zinc/26/60/17/525266017.db2.gz FIDAFABYDAMPFQ-TZMCWYRMSA-N 2 0 310.532 3.995 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2ccsc2S1 ZINC000336828332 525436707 /nfs/dbraw/zinc/43/67/07/525436707.db2.gz FIDAFABYDAMPFQ-OCCSQVGLSA-N 2 0 310.532 3.995 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(-c2cccnc2)cc1 ZINC000181325479 525455435 /nfs/dbraw/zinc/45/54/35/525455435.db2.gz FQFFFYSRQZWHCW-UZLBHIALSA-N 2 0 309.457 3.884 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124287754 525532632 /nfs/dbraw/zinc/53/26/32/525532632.db2.gz DUDWMWBJTSRZFH-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101923 525534855 /nfs/dbraw/zinc/53/48/55/525534855.db2.gz OVQZWVFQBYZINQ-WBVHZDCISA-N 2 0 311.473 3.911 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366283602 526163719 /nfs/dbraw/zinc/16/37/19/526163719.db2.gz NJDHYDXMTONTGH-ZLPCBKJTSA-N 2 0 318.530 3.946 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000365040452 526215369 /nfs/dbraw/zinc/21/53/69/526215369.db2.gz IOBPFFVWHGJGRH-XKGZKEIXSA-N 2 0 309.457 3.734 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000365040148 526216520 /nfs/dbraw/zinc/21/65/20/526216520.db2.gz IOBPFFVWHGJGRH-ILZDJORESA-N 2 0 309.457 3.734 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2ccncc2)CC1 ZINC000159068765 526246868 /nfs/dbraw/zinc/24/68/68/526246868.db2.gz BTZNWAGCDORAKR-SFHVURJKSA-N 2 0 315.505 3.601 20 0 DHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000337272164 526548932 /nfs/dbraw/zinc/54/89/32/526548932.db2.gz CANWFUXHMDXYAU-OVZGMEQFSA-N 2 0 313.489 3.714 20 0 DHADRP CC[N@H+](Cc1scnc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289444554 535399944 /nfs/dbraw/zinc/39/99/44/535399944.db2.gz MIEJNLDTZHACQI-UHFFFAOYSA-N 2 0 303.475 3.535 20 0 DHADRP CC[NH+](CC)CCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000340205159 535507525 /nfs/dbraw/zinc/50/75/25/535507525.db2.gz PQYUGXLNOBXDJZ-UHFFFAOYSA-N 2 0 322.468 3.539 20 0 DHADRP COCC1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000294782537 1013149574 /nfs/dbraw/zinc/14/95/74/1013149574.db2.gz NVUILJMSDBTZFZ-UHFFFAOYSA-N 2 0 316.489 3.577 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCSCc2ccc(F)cc2)CC1 ZINC001168295211 1032069009 /nfs/dbraw/zinc/06/90/09/1032069009.db2.gz WFEYSNLNJQPCPU-UHFFFAOYSA-N 2 0 310.482 3.521 20 0 DHADRP c1cnc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)c2c1 ZINC001167963892 1013196647 /nfs/dbraw/zinc/19/66/47/1013196647.db2.gz HIJSGRRMSKLQOA-YQQQUEKLSA-N 2 0 321.468 3.730 20 0 DHADRP Clc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000037648884 1013206523 /nfs/dbraw/zinc/20/65/23/1013206523.db2.gz LXMPYIGLZVCJRH-UGSOOPFHSA-N 2 0 304.865 3.865 20 0 DHADRP COc1ccccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964547 1013217636 /nfs/dbraw/zinc/21/76/36/1013217636.db2.gz SLXJVXZOKHEGOA-MIGBEJBISA-N 2 0 314.473 3.751 20 0 DHADRP Cn1cncc1CCC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000518995747 1013255539 /nfs/dbraw/zinc/25/55/39/1013255539.db2.gz HZTDTVDJAGJCBF-UHFFFAOYSA-N 2 0 303.425 3.793 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000537951062 1013273266 /nfs/dbraw/zinc/27/32/66/1013273266.db2.gz XTRDBYQOBSYOMY-CTNGQTDRSA-N 2 0 314.517 3.965 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000519181914 1013287100 /nfs/dbraw/zinc/28/71/00/1013287100.db2.gz WEJLRYBBIBIJBP-ILXRZTDVSA-N 2 0 300.368 3.582 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1cc(F)ccc1F ZINC000519411444 1013317714 /nfs/dbraw/zinc/31/77/14/1013317714.db2.gz GIFBIXHDEVKLHD-LJQANCHMSA-N 2 0 316.395 3.851 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000398108815 1013353526 /nfs/dbraw/zinc/35/35/26/1013353526.db2.gz CIVNJQDMWQAUMC-QFBILLFUSA-N 2 0 314.498 3.791 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000894454938 1013372282 /nfs/dbraw/zinc/37/22/82/1013372282.db2.gz CPCFZQUBOFPPCR-VQCLRJIVSA-N 2 0 308.416 3.531 20 0 DHADRP CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000155363857 1013384985 /nfs/dbraw/zinc/38/49/85/1013384985.db2.gz AUNZDOLIHYMOID-INIZCTEOSA-N 2 0 315.461 3.712 20 0 DHADRP COC1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167973741 1013413284 /nfs/dbraw/zinc/41/32/84/1013413284.db2.gz MQXBWDDHDUVZTE-MGHKXQOZSA-N 2 0 320.521 3.577 20 0 DHADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)CC(F)(F)F ZINC001167979013 1013459036 /nfs/dbraw/zinc/45/90/36/1013459036.db2.gz RVXSNNJTQGFMKK-GOOCMWNKSA-N 2 0 318.427 3.960 20 0 DHADRP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC(F)(F)CC1 ZINC001167977856 1013456608 /nfs/dbraw/zinc/45/66/08/1013456608.db2.gz GRUSLJBACMKZLT-MQVJKMGUSA-N 2 0 312.448 3.949 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167977353 1013456933 /nfs/dbraw/zinc/45/69/33/1013456933.db2.gz BJBKKUASEOWCBO-XUBOLADHSA-N 2 0 310.485 3.711 20 0 DHADRP C[C@]1(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CCCO1 ZINC000638763300 1013505667 /nfs/dbraw/zinc/50/56/67/1013505667.db2.gz XZRVJLDBMPOOMX-YZGWKJHDSA-N 2 0 314.473 3.513 20 0 DHADRP C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369287 1013522248 /nfs/dbraw/zinc/52/22/48/1013522248.db2.gz GRULIZJTFOSFLP-IAGOWNOFSA-N 2 0 316.489 3.716 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000121304069 1013522436 /nfs/dbraw/zinc/52/24/36/1013522436.db2.gz LOMAWJGRIFFCMQ-CVEARBPZSA-N 2 0 304.478 3.855 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000530662790 1013534371 /nfs/dbraw/zinc/53/43/71/1013534371.db2.gz BVHUZHCXJYXQIM-RDJZCZTQSA-N 2 0 324.896 3.914 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CS1 ZINC000655686002 1013638700 /nfs/dbraw/zinc/63/87/00/1013638700.db2.gz WSFVFWAWXNNCDT-MAUKXSAKSA-N 2 0 304.503 3.656 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000655700599 1013651501 /nfs/dbraw/zinc/65/15/01/1013651501.db2.gz JHVORDYQLMREJA-CRAIPNDOSA-N 2 0 306.519 3.901 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281226 1013695861 /nfs/dbraw/zinc/69/58/61/1013695861.db2.gz PLEICSJVMVTXDF-KXBFYZLASA-N 2 0 311.473 3.785 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000280798664 1013721193 /nfs/dbraw/zinc/72/11/93/1013721193.db2.gz IGLVXHLRDLDEEK-LPHOPBHVSA-N 2 0 301.478 3.633 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655806262 1013727890 /nfs/dbraw/zinc/72/78/90/1013727890.db2.gz SYDPRERDHJQQPU-PRHYDEJPSA-N 2 0 300.490 3.889 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655805662 1013728153 /nfs/dbraw/zinc/72/81/53/1013728153.db2.gz JZBLGXBJUIHAGW-MCIONIFRSA-N 2 0 312.404 3.587 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000655804985 1013723520 /nfs/dbraw/zinc/72/35/20/1013723520.db2.gz HWACUFCYRKHPJL-ZOCIIQOWSA-N 2 0 302.437 3.691 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCO2 ZINC000655804873 1013724178 /nfs/dbraw/zinc/72/41/78/1013724178.db2.gz DVEOUQBNMSKAED-WDYCEAGBSA-N 2 0 316.489 3.954 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806712 1013725670 /nfs/dbraw/zinc/72/56/70/1013725670.db2.gz ZQKPTYCOLHWGHO-NUJGCVRESA-N 2 0 304.478 3.712 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-c2ccccc2)cn1 ZINC000655803240 1013726946 /nfs/dbraw/zinc/72/69/46/1013726946.db2.gz OFEDXRYZOLIVAB-TXPKVOOTSA-N 2 0 309.457 3.739 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804324 1013727595 /nfs/dbraw/zinc/72/75/95/1013727595.db2.gz UTULFERGUNGNLR-XPKDYRNWSA-N 2 0 314.395 3.566 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894978162 1013762338 /nfs/dbraw/zinc/76/23/38/1013762338.db2.gz KYPBESNRQFEBFR-UHFFFAOYSA-N 2 0 300.368 3.726 20 0 DHADRP COC1(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000340442006 1013796218 /nfs/dbraw/zinc/79/62/18/1013796218.db2.gz SQUQWKQBJBTZBN-WMZOPIPTSA-N 2 0 308.510 3.578 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CC2 ZINC000647978874 1013797199 /nfs/dbraw/zinc/79/71/99/1013797199.db2.gz ZPLBQJISIIXMII-JTDSTZFVSA-N 2 0 302.437 3.525 20 0 DHADRP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000315752282 1013809727 /nfs/dbraw/zinc/80/97/27/1013809727.db2.gz PSMBMVWCBNAFIE-PBHICJAKSA-N 2 0 304.478 3.921 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000655940736 1013837003 /nfs/dbraw/zinc/83/70/03/1013837003.db2.gz WMXWHZJANCLWGO-MRXNPFEDSA-N 2 0 316.489 3.783 20 0 DHADRP Cc1c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cnn1C(C)C ZINC000340473991 1013847314 /nfs/dbraw/zinc/84/73/14/1013847314.db2.gz FZWJJQJJODJZTR-INIZCTEOSA-N 2 0 306.498 3.689 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000340474095 1013851036 /nfs/dbraw/zinc/85/10/36/1013851036.db2.gz PDIOSMBZJSCDIP-OAHLLOKOSA-N 2 0 321.534 3.939 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631110421 1013959443 /nfs/dbraw/zinc/95/94/43/1013959443.db2.gz MFPCFTOHPWIVHX-UHFFFAOYSA-N 2 0 314.395 3.613 20 0 DHADRP CC[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000580109227 1014032074 /nfs/dbraw/zinc/03/20/74/1014032074.db2.gz MESKXFCCQRHEBC-AZUAARDMSA-N 2 0 316.489 3.685 20 0 DHADRP CC(C)(C)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089555309 1014106823 /nfs/dbraw/zinc/10/68/23/1014106823.db2.gz NLRLJKYXNHEVGV-DLBZAZTESA-N 2 0 316.489 3.579 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000129697226 1014115534 /nfs/dbraw/zinc/11/55/34/1014115534.db2.gz PSCYJMDOYGMBQZ-AWEZNQCLSA-N 2 0 308.897 3.938 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000153782220 1014118537 /nfs/dbraw/zinc/11/85/37/1014118537.db2.gz YOHQRYCQNQBBTN-ICSRJNTNSA-N 2 0 316.489 3.618 20 0 DHADRP CC[NH+](CC)CCCNCc1cc(Cl)cc(Cl)c1OC ZINC000013734453 1014132990 /nfs/dbraw/zinc/13/29/90/1014132990.db2.gz JKAQUEASIWWBQV-UHFFFAOYSA-N 2 0 319.276 3.824 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@H]2CCC[C@@H]21 ZINC000624273300 1014134644 /nfs/dbraw/zinc/13/46/44/1014134644.db2.gz ZCTFUNYSYSQADP-RDBSUJKOSA-N 2 0 304.400 3.572 20 0 DHADRP Clc1ccccc1OCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441467884 1014180157 /nfs/dbraw/zinc/18/01/57/1014180157.db2.gz VYZMCIWOYCVDKA-INIZCTEOSA-N 2 0 322.880 3.527 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(F)nc1 ZINC000931271018 1032086917 /nfs/dbraw/zinc/08/69/17/1032086917.db2.gz BBRPWZLXRFWJME-OAHLLOKOSA-N 2 0 315.436 3.865 20 0 DHADRP COc1ccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000579487380 1014337420 /nfs/dbraw/zinc/33/74/20/1014337420.db2.gz HGODDMPQYCVQEM-UHFFFAOYSA-N 2 0 324.468 3.792 20 0 DHADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001168004389 1014368874 /nfs/dbraw/zinc/36/88/74/1014368874.db2.gz VFEXFQMZHSDIAS-BNCGXOKJSA-N 2 0 302.506 3.904 20 0 DHADRP COc1ccccc1/C=C\CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000255903047 1014461464 /nfs/dbraw/zinc/46/14/64/1014461464.db2.gz YZDUEUJQAMYRRV-WMHRWZGDSA-N 2 0 314.473 3.659 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427696333 1014515632 /nfs/dbraw/zinc/51/56/32/1014515632.db2.gz PNILTFIEUXPFAY-PMACEKPBSA-N 2 0 318.505 3.783 20 0 DHADRP CC1(C)CC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000665246035 1014533251 /nfs/dbraw/zinc/53/32/51/1014533251.db2.gz XISCBQXRGLAHGE-OKZBNKHCSA-N 2 0 322.537 3.586 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCc2ccc(F)cc2)[C@H](C)C1 ZINC000427852036 1014539861 /nfs/dbraw/zinc/53/98/61/1014539861.db2.gz SSBRFKXVFKNJSZ-VQIMIIECSA-N 2 0 306.469 3.858 20 0 DHADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261728290 1014587986 /nfs/dbraw/zinc/58/79/86/1014587986.db2.gz MPWCZCBHLMUFBY-BZUAXINKSA-N 2 0 324.415 3.688 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273622 1014634584 /nfs/dbraw/zinc/63/45/84/1014634584.db2.gz AHLHPCGEBHSVPS-MHABSNSOSA-N 2 0 308.416 3.503 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665274715 1014637779 /nfs/dbraw/zinc/63/77/79/1014637779.db2.gz WYYSHDBMTNQJSF-JWMHWRSXSA-N 2 0 300.437 3.855 20 0 DHADRP CC(C)[C@@H](NCC12CC(C1)C[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000665278944 1014657489 /nfs/dbraw/zinc/65/74/89/1014657489.db2.gz SLPZRXXQODXPKP-DSSZZKGTSA-N 2 0 312.379 3.744 20 0 DHADRP CC(C)[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000665279003 1014658288 /nfs/dbraw/zinc/65/82/88/1014658288.db2.gz UKLNOXPHDMINDD-DSSZZKGTSA-N 2 0 312.379 3.744 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000665279322 1014662314 /nfs/dbraw/zinc/66/23/14/1014662314.db2.gz AEOKQMMINCXRDA-QBHHXUBYSA-N 2 0 324.390 3.683 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC000521317694 1014685578 /nfs/dbraw/zinc/68/55/78/1014685578.db2.gz SZMGUVOVWFEDPF-OAHLLOKOSA-N 2 0 310.844 3.643 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CCn3ccnc3)C2)cc1 ZINC000442636323 1014707681 /nfs/dbraw/zinc/70/76/81/1014707681.db2.gz SNIJNMJKJOUXGU-GDBMZVCRSA-N 2 0 323.362 3.828 20 0 DHADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000442800196 1014736896 /nfs/dbraw/zinc/73/68/96/1014736896.db2.gz ZAFQZUZFOUXDIV-WNHJNPCNSA-N 2 0 308.510 3.577 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1F ZINC000442814494 1014740834 /nfs/dbraw/zinc/74/08/34/1014740834.db2.gz BDWJEZJMMUFVNZ-UHFFFAOYSA-N 2 0 314.395 3.801 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000294665732 1032103216 /nfs/dbraw/zinc/10/32/16/1032103216.db2.gz ACNGZJCEUQUZKZ-IBGZPJMESA-N 2 0 316.489 3.718 20 0 DHADRP C[C@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)C[NH+]1CCCC1 ZINC000521826560 1014802865 /nfs/dbraw/zinc/80/28/65/1014802865.db2.gz ITKKJSRDTCQWTP-QGZVFWFLSA-N 2 0 316.489 3.830 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000443078756 1014807552 /nfs/dbraw/zinc/80/75/52/1014807552.db2.gz XQOVKGOIFZZPBH-CYBMUJFWSA-N 2 0 319.836 3.556 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090035277 1014899044 /nfs/dbraw/zinc/89/90/44/1014899044.db2.gz NBMBEJIACRALHK-IYOUNJFTSA-N 2 0 324.896 3.736 20 0 DHADRP Clc1ccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000581607634 1015045246 /nfs/dbraw/zinc/04/52/46/1015045246.db2.gz NAWPCCRKMHPMAY-LSDHHAIUSA-N 2 0 316.832 3.641 20 0 DHADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000113516144 1015067777 /nfs/dbraw/zinc/06/77/77/1015067777.db2.gz CPPPVCYVXQSGKC-AWEZNQCLSA-N 2 0 312.910 3.706 20 0 DHADRP C[C@@H]1CC([NH2+]CCCC(C)(C)O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024289 1015067829 /nfs/dbraw/zinc/06/78/29/1015067829.db2.gz DNJWLLSDCKEPJX-IAGOWNOFSA-N 2 0 318.505 3.569 20 0 DHADRP CCC(CC)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000341253144 1015091086 /nfs/dbraw/zinc/09/10/86/1015091086.db2.gz KCYXWEZUIRKEDM-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)C[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000341266575 1015110137 /nfs/dbraw/zinc/11/01/37/1015110137.db2.gz KWNDCVPFYWIJFI-MRXNPFEDSA-N 2 0 304.478 3.684 20 0 DHADRP C[C@@H]1CC([NH2+][C@@H]2COC(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168028868 1015154666 /nfs/dbraw/zinc/15/46/66/1015154666.db2.gz REVAAKAOBSZBBM-MDZRGWNJSA-N 2 0 316.489 3.585 20 0 DHADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656784791 1015156416 /nfs/dbraw/zinc/15/64/16/1015156416.db2.gz HJKLVNXCMJBRHP-OAHLLOKOSA-N 2 0 321.534 3.652 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cccc2cccnc21 ZINC000261750347 1015188218 /nfs/dbraw/zinc/18/82/18/1015188218.db2.gz OVHHIWVDJBPYAP-QFBILLFUSA-N 2 0 311.473 3.678 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000684374485 1015188365 /nfs/dbraw/zinc/18/83/65/1015188365.db2.gz QQMACIUERYGANB-IRXDYDNUSA-N 2 0 322.518 3.507 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000684374483 1015189080 /nfs/dbraw/zinc/18/90/80/1015189080.db2.gz QQMACIUERYGANB-DLBZAZTESA-N 2 0 322.518 3.507 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000684387390 1015226887 /nfs/dbraw/zinc/22/68/87/1015226887.db2.gz JDSHVOGDPNRFTR-JWHDQAAXSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000474263857 1015227019 /nfs/dbraw/zinc/22/70/19/1015227019.db2.gz FGRCSUMAGIPMFY-ICSRJNTNSA-N 2 0 300.490 3.844 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000629519181 1015236162 /nfs/dbraw/zinc/23/61/62/1015236162.db2.gz QSAOGACBSDMCHD-QGZVFWFLSA-N 2 0 303.494 3.731 20 0 DHADRP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410376 1015288638 /nfs/dbraw/zinc/28/86/38/1015288638.db2.gz SPHDHGNXSDNCTG-SJLPKXTDSA-N 2 0 314.498 3.791 20 0 DHADRP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000293046671 1015372993 /nfs/dbraw/zinc/37/29/93/1015372993.db2.gz LESLCZZZTKZNHF-GFCCVEGCSA-N 2 0 323.362 3.642 20 0 DHADRP CCc1cccc(F)c1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000474487460 1015396630 /nfs/dbraw/zinc/39/66/30/1015396630.db2.gz VOKGGJKUSZAKAB-UHFFFAOYSA-N 2 0 300.421 3.740 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000891611297 1015445684 /nfs/dbraw/zinc/44/56/84/1015445684.db2.gz ITDJIGAEFBGWDY-UHFFFAOYSA-N 2 0 320.525 3.635 20 0 DHADRP CC(C)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279522241 1015468403 /nfs/dbraw/zinc/46/84/03/1015468403.db2.gz VPRGBLIHTVDNKK-HDICACEKSA-N 2 0 303.494 3.595 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000474604597 1015486061 /nfs/dbraw/zinc/48/60/61/1015486061.db2.gz RBTBCFYQEJANIH-RCCFBDPRSA-N 2 0 318.505 3.899 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000474621177 1015497172 /nfs/dbraw/zinc/49/71/72/1015497172.db2.gz KDTAPRAUSSMNHY-VQTJNVASSA-N 2 0 318.505 3.822 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)s1 ZINC000090418918 1015505634 /nfs/dbraw/zinc/50/56/34/1015505634.db2.gz HJRJDVODGHQPGD-CQSZACIVSA-N 2 0 309.523 3.860 20 0 DHADRP C[N@H+](CCCC[NH2+][C@@H]1CCSc2c(F)cccc21)C1CC1 ZINC000453403939 1015572485 /nfs/dbraw/zinc/57/24/85/1015572485.db2.gz PABZGKOWLPVSQO-MRXNPFEDSA-N 2 0 308.466 3.827 20 0 DHADRP FC1(F)CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000647208448 1015605067 /nfs/dbraw/zinc/60/50/67/1015605067.db2.gz PXQRKWNVMSNLDX-MRXNPFEDSA-N 2 0 300.437 3.951 20 0 DHADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000474801757 1015607854 /nfs/dbraw/zinc/60/78/54/1015607854.db2.gz ZEIWGPLTKRURPF-LEAZDLGRSA-N 2 0 322.537 3.559 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000684556844 1015732047 /nfs/dbraw/zinc/73/20/47/1015732047.db2.gz CKTWNHGVCVLDNM-XLIONFOSSA-N 2 0 323.484 3.871 20 0 DHADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000896801953 1015750804 /nfs/dbraw/zinc/75/08/04/1015750804.db2.gz VARAKEMEUXOARD-OAHLLOKOSA-N 2 0 313.420 3.849 20 0 DHADRP C[N@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]c3c(O)cccc23)C1 ZINC000684579255 1015782116 /nfs/dbraw/zinc/78/21/16/1015782116.db2.gz IEFBISXIPXYHLZ-KRWDZBQOSA-N 2 0 305.381 3.539 20 0 DHADRP CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000153972932 1015827595 /nfs/dbraw/zinc/82/75/95/1015827595.db2.gz UUJUHLBJAWKLEB-YJBOKZPZSA-N 2 0 304.478 3.856 20 0 DHADRP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000535806189 1015834734 /nfs/dbraw/zinc/83/47/34/1015834734.db2.gz KARCCYWQJOKWRL-CRAIPNDOSA-N 2 0 312.457 3.911 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000684614044 1015909664 /nfs/dbraw/zinc/90/96/64/1015909664.db2.gz QRHIWKUTBNXVOW-CYBMUJFWSA-N 2 0 315.288 3.857 20 0 DHADRP CC[C@@H](CSC)[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000361860317 1032132293 /nfs/dbraw/zinc/13/22/93/1032132293.db2.gz LKQLXWGMGSREHF-INIZCTEOSA-N 2 0 303.475 3.754 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc(C4CCCCC4)n3)C[C@@H]21 ZINC000342092729 1015951516 /nfs/dbraw/zinc/95/15/16/1015951516.db2.gz VWODUAWKRPXMLG-HYVNUMGLSA-N 2 0 319.518 3.750 20 0 DHADRP CCC[NH+]1CCC(NC[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000154005329 1016099625 /nfs/dbraw/zinc/09/96/25/1016099625.db2.gz GUAVGGTZNKACRO-GOSISDBHSA-N 2 0 323.550 3.595 20 0 DHADRP COc1cccc(CC2([NH2+]C3CCC([NH+](C)C)CC3)CCC2)c1 ZINC001168304921 1032139725 /nfs/dbraw/zinc/13/97/25/1032139725.db2.gz BDGVDGYAWZNEFW-UHFFFAOYSA-N 2 0 316.489 3.623 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C(C)C)nc(C(C)C)n2)C1 ZINC000533151945 1032139955 /nfs/dbraw/zinc/13/99/55/1032139955.db2.gz XPTPEGNPPKDBHO-INIZCTEOSA-N 2 0 318.509 3.892 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)Cc2ccccc2F)CC1 ZINC001168305284 1032142976 /nfs/dbraw/zinc/14/29/76/1032142976.db2.gz GUYBRPBEQSHRPQ-UHFFFAOYSA-N 2 0 306.469 3.857 20 0 DHADRP COc1ccccc1/C=C/C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000103341046 1016197791 /nfs/dbraw/zinc/19/77/91/1016197791.db2.gz CXTMVGGOGCSEPS-CSKARUKUSA-N 2 0 302.462 3.607 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cncs1 ZINC000934194616 1016207185 /nfs/dbraw/zinc/20/71/85/1016207185.db2.gz YRLLNOQZJCCYIW-OAHLLOKOSA-N 2 0 315.486 3.980 20 0 DHADRP CN(C)c1ccncc1C[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000342287383 1016231788 /nfs/dbraw/zinc/23/17/88/1016231788.db2.gz AADBRBPBSNBXAN-JSGCOSHPSA-N 2 0 315.383 3.606 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926366250 1016339288 /nfs/dbraw/zinc/33/92/88/1016339288.db2.gz BKDCOGQBMNWOTN-LBPRGKRZSA-N 2 0 302.384 3.987 20 0 DHADRP CC(C)(C)c1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657335235 1016360411 /nfs/dbraw/zinc/36/04/11/1016360411.db2.gz AKQXVIJXZZWFSS-UHFFFAOYSA-N 2 0 320.440 3.855 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000346498450 1016419215 /nfs/dbraw/zinc/41/92/15/1016419215.db2.gz YGVXRYQOGXDMLE-UWVAXJGDSA-N 2 0 316.489 3.718 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000281256670 1016434171 /nfs/dbraw/zinc/43/41/71/1016434171.db2.gz OIDNFAXEHSKQEC-RBUKOAKNSA-N 2 0 315.505 3.738 20 0 DHADRP Cc1cnccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000582162204 1016457897 /nfs/dbraw/zinc/45/78/97/1016457897.db2.gz VONZVEUJMLUESB-GOSISDBHSA-N 2 0 315.505 3.867 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000281349107 1016469299 /nfs/dbraw/zinc/46/92/99/1016469299.db2.gz VEJVWRGGOMMLOV-UKRRQHHQSA-N 2 0 314.395 3.568 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000346650651 1016485612 /nfs/dbraw/zinc/48/56/12/1016485612.db2.gz PUWGSVUGHMYRSJ-OCCSQVGLSA-N 2 0 320.383 3.610 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346676833 1016506385 /nfs/dbraw/zinc/50/63/85/1016506385.db2.gz KSTJGBZZCOODKF-JSGCOSHPSA-N 2 0 304.434 3.723 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001207282578 1016509575 /nfs/dbraw/zinc/50/95/75/1016509575.db2.gz LDQGXLFPKWNJRG-UHFFFAOYSA-N 2 0 306.469 3.668 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647248572 1016607171 /nfs/dbraw/zinc/60/71/71/1016607171.db2.gz JUCPFJIGVOZGPB-CTNGQTDRSA-N 2 0 324.468 3.520 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000281582353 1016607575 /nfs/dbraw/zinc/60/75/75/1016607575.db2.gz LEZDZEOUZNXARX-ROUUACIJSA-N 2 0 315.505 3.738 20 0 DHADRP CCc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647248950 1016611960 /nfs/dbraw/zinc/61/19/60/1016611960.db2.gz SLMIUVZRVBHYBK-APWZRJJASA-N 2 0 314.498 3.746 20 0 DHADRP CSc1ccccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629752135 1016682654 /nfs/dbraw/zinc/68/26/54/1016682654.db2.gz TUMHKWVTUJQRFN-UHFFFAOYSA-N 2 0 312.482 3.999 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347046507 1016714980 /nfs/dbraw/zinc/71/49/80/1016714980.db2.gz OJQJOFPOAHGOTJ-KXBFYZLASA-N 2 0 312.457 3.796 20 0 DHADRP CC(C)[NH+]1CCC(Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000281780538 1016717775 /nfs/dbraw/zinc/71/77/75/1016717775.db2.gz XFGACJCIHFLCPN-UHFFFAOYSA-N 2 0 309.885 3.686 20 0 DHADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)s2)cc1 ZINC000347110745 1016738181 /nfs/dbraw/zinc/73/81/81/1016738181.db2.gz PSNOQDXGWDFJJT-CQSZACIVSA-N 2 0 315.486 3.678 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000051693501 1016777833 /nfs/dbraw/zinc/77/78/33/1016777833.db2.gz DAXHQBUAJNLGBX-YMAMQOFZSA-N 2 0 311.267 3.760 20 0 DHADRP Clc1cccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000647251883 1016809814 /nfs/dbraw/zinc/80/98/14/1016809814.db2.gz NSLLEZXVKOVJED-IRXDYDNUSA-N 2 0 304.865 3.936 20 0 DHADRP c1csc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000281948316 1016827875 /nfs/dbraw/zinc/82/78/75/1016827875.db2.gz FKCVNNPAQPKSNJ-AWEZNQCLSA-N 2 0 301.459 3.661 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000342597881 1016831103 /nfs/dbraw/zinc/83/11/03/1016831103.db2.gz QEBFGFXHXYZMOV-APWZRJJASA-N 2 0 318.505 3.558 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000174774362 1016839071 /nfs/dbraw/zinc/83/90/71/1016839071.db2.gz ZHYLZWUBIOTCRE-CJNGLKHVSA-N 2 0 314.395 3.868 20 0 DHADRP Fc1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281981732 1016852284 /nfs/dbraw/zinc/85/22/84/1016852284.db2.gz HRBYNOKPXSSFAU-INIZCTEOSA-N 2 0 313.420 3.738 20 0 DHADRP CC(C)Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000896951713 1016957579 /nfs/dbraw/zinc/95/75/79/1016957579.db2.gz RIXMBUDBMBAYGA-UHFFFAOYSA-N 2 0 315.505 3.777 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000623346084 1016975216 /nfs/dbraw/zinc/97/52/16/1016975216.db2.gz DQPYECWEWYIVAQ-GXTWGEPZSA-N 2 0 312.404 3.811 20 0 DHADRP C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000623347195 1016975815 /nfs/dbraw/zinc/97/58/15/1016975815.db2.gz RIIWSJOUVQGRDR-OLZOCXBDSA-N 2 0 312.404 3.811 20 0 DHADRP C[N@@H+]1CC[C@H](NCc2ccccc2OC2CCCC2)CC1(C)C ZINC000623362670 1016989903 /nfs/dbraw/zinc/98/99/03/1016989903.db2.gz DVYQDINHYYISFF-KRWDZBQOSA-N 2 0 316.489 3.970 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000342681645 1017001126 /nfs/dbraw/zinc/00/11/26/1017001126.db2.gz RYWSFCKJVBLQKP-UHFFFAOYSA-N 2 0 315.486 3.584 20 0 DHADRP c1cc2c(o1)CCC[C@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000192818610 1017009465 /nfs/dbraw/zinc/00/94/65/1017009465.db2.gz AOEAJDNAVNVDLK-UYAOXDASSA-N 2 0 324.468 3.811 20 0 DHADRP Fc1cccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000380075408 1017016767 /nfs/dbraw/zinc/01/67/67/1017016767.db2.gz CWEXMVOZTWICJE-PMACEKPBSA-N 2 0 324.443 3.780 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2c(C)cccc2C)C[C@@H]1C ZINC001167589890 1017041320 /nfs/dbraw/zinc/04/13/20/1017041320.db2.gz JPOZMWFXNWHTRT-RBUKOAKNSA-N 2 0 318.505 3.877 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444555 1017050221 /nfs/dbraw/zinc/05/02/21/1017050221.db2.gz KOCYSOSTJHQNSF-WMZOPIPTSA-N 2 0 315.505 3.810 20 0 DHADRP COc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623439705 1017048904 /nfs/dbraw/zinc/04/89/04/1017048904.db2.gz VIKQFRLJGDIPMP-ROUUACIJSA-N 2 0 318.505 3.725 20 0 DHADRP CC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440720 1017051418 /nfs/dbraw/zinc/05/14/18/1017051418.db2.gz HRMJJCKPXKVKBU-IRXDYDNUSA-N 2 0 304.478 3.615 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623470749 1017061651 /nfs/dbraw/zinc/06/16/51/1017061651.db2.gz ZXGCXXOSMIRLDX-UHFFFAOYSA-N 2 0 320.424 3.977 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC2(C)C)C[C@H](C)O1 ZINC000342710138 1017062411 /nfs/dbraw/zinc/06/24/11/1017062411.db2.gz OHPIUMQPSWUHMT-JTDSTZFVSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC2(C)C)C[C@@H](C)O1 ZINC000342710135 1017062593 /nfs/dbraw/zinc/06/25/93/1017062593.db2.gz OHPIUMQPSWUHMT-GPMSIDNRSA-N 2 0 316.489 3.574 20 0 DHADRP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CCC2)cc1 ZINC000623490411 1017068189 /nfs/dbraw/zinc/06/81/89/1017068189.db2.gz KFXBNDBLQNTKQR-KRWDZBQOSA-N 2 0 316.489 3.579 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623487859 1017069363 /nfs/dbraw/zinc/06/93/63/1017069363.db2.gz XPGKNPPWADTZKB-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000294801106 1032160716 /nfs/dbraw/zinc/16/07/16/1032160716.db2.gz PKQWFRGKFDXYOA-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(OC(F)F)c1 ZINC000539219472 1033302576 /nfs/dbraw/zinc/30/25/76/1033302576.db2.gz NJLZSHMJSXDVDS-HIFRSBDPSA-N 2 0 312.404 3.813 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000361969694 1032178877 /nfs/dbraw/zinc/17/88/77/1032178877.db2.gz CIMZMWDUZBTUTL-JENIJYKNSA-N 2 0 316.489 3.980 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000362012906 1032195277 /nfs/dbraw/zinc/19/52/77/1032195277.db2.gz IDKQXFMOOKCLLP-GDZNZVCISA-N 2 0 310.482 3.507 20 0 DHADRP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000294999552 1032240415 /nfs/dbraw/zinc/24/04/15/1032240415.db2.gz LXQBBCMQFDVRLK-KLHDSHLOSA-N 2 0 304.865 3.802 20 0 DHADRP Cc1ccc(O[C@@H]2CCC[N@@H+](C3CCC([NH+](C)C)CC3)C2)cc1 ZINC001168323095 1032263842 /nfs/dbraw/zinc/26/38/42/1032263842.db2.gz QHEBWEPSGYBZDJ-AFMYVXGZSA-N 2 0 316.489 3.711 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2c2cc(F)ccc2F)CC1 ZINC001168324189 1032269307 /nfs/dbraw/zinc/26/93/07/1032269307.db2.gz JHOKTVXOWSIKPZ-JMLCCBQJSA-N 2 0 308.416 3.975 20 0 DHADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CC=CCC1 ZINC000537618538 1032290734 /nfs/dbraw/zinc/29/07/34/1032290734.db2.gz BMYJREXBIZBPGK-GOSISDBHSA-N 2 0 313.489 3.976 20 0 DHADRP [NH3+]CCc1cc2ccccc2n1-c1cc(N2CCCCC2)cc[nH+]1 ZINC001171301390 1032294027 /nfs/dbraw/zinc/29/40/27/1032294027.db2.gz MXGAKQGFKYKVKA-UHFFFAOYSA-N 2 0 320.440 3.517 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC001168328240 1032297969 /nfs/dbraw/zinc/29/79/69/1032297969.db2.gz BHJLRISFDOUDIE-JTTJXQCZSA-N 2 0 308.416 3.975 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)CC1 ZINC001168328523 1032299168 /nfs/dbraw/zinc/29/91/68/1032299168.db2.gz JAIJGHZIWJRVIQ-MQBCKMQZSA-N 2 0 308.416 3.975 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001168329990 1032313936 /nfs/dbraw/zinc/31/39/36/1032313936.db2.gz MFTDPPVPDVXFIN-ACBHZAAOSA-N 2 0 304.453 3.705 20 0 DHADRP [NH3+]CCc1cc2ccccc2n1-c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001171310832 1032315608 /nfs/dbraw/zinc/31/56/08/1032315608.db2.gz FPVRNMXMMITKCA-GOSISDBHSA-N 2 0 319.452 3.599 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000089145708 1032327232 /nfs/dbraw/zinc/32/72/32/1032327232.db2.gz NTHJLFKEKIOBFF-NJZAAPMLSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120394645 1032367193 /nfs/dbraw/zinc/36/71/93/1032367193.db2.gz OQCZGTYTDRTZHF-QAPCUYQASA-N 2 0 322.518 3.563 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000090664139 1032409973 /nfs/dbraw/zinc/40/99/73/1032409973.db2.gz VHVXWZSNBWUNRM-QINHECLXSA-N 2 0 309.457 3.567 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccn2CCC(C)C)[C@H](C)C1 ZINC000537635197 1032424715 /nfs/dbraw/zinc/42/47/15/1032424715.db2.gz VZEFPESKIBOPLY-IEBWSBKVSA-N 2 0 305.510 3.696 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000121193702 1032426593 /nfs/dbraw/zinc/42/65/93/1032426593.db2.gz AVKIKZRRCRMZMG-FQEVSTJZSA-N 2 0 312.432 3.847 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684953108 1017080649 /nfs/dbraw/zinc/08/06/49/1017080649.db2.gz IIEOJEHDFCMAME-SJLPKXTDSA-N 2 0 301.478 3.561 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348098256 1032461605 /nfs/dbraw/zinc/46/16/05/1032461605.db2.gz AEJLMHZSGOXFOC-HUUCEWRRSA-N 2 0 323.456 3.535 20 0 DHADRP c1cc2c(cccc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[nH]1 ZINC000092066989 1032472999 /nfs/dbraw/zinc/47/29/99/1032472999.db2.gz JFYURHQIVVRSAN-OXQOHEQNSA-N 2 0 309.457 3.617 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1OC ZINC000623525603 1017090938 /nfs/dbraw/zinc/09/09/38/1017090938.db2.gz UCVKJJRVNKYELV-CABCVRRESA-N 2 0 320.477 3.536 20 0 DHADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000475220707 1017091740 /nfs/dbraw/zinc/09/17/40/1017091740.db2.gz QMEDTUVUPWUORB-FCEUIQTBSA-N 2 0 320.480 3.902 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171348882 1032509280 /nfs/dbraw/zinc/50/92/80/1032509280.db2.gz FMBYVWHAFZLKBS-QGZVFWFLSA-N 2 0 322.443 3.532 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)[C@H](C)C1 ZINC001171360327 1032515789 /nfs/dbraw/zinc/51/57/89/1032515789.db2.gz JVCFOLOQYVMWNU-NRXGSXMXSA-N 2 0 322.443 3.531 20 0 DHADRP COCCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000122317982 1032533658 /nfs/dbraw/zinc/53/36/58/1032533658.db2.gz OQUITCWDFMGFOQ-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000122549201 1032556275 /nfs/dbraw/zinc/55/62/75/1032556275.db2.gz YWHMAWYHHNFNHH-KKSFZXQISA-N 2 0 324.468 3.792 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000122752619 1032570501 /nfs/dbraw/zinc/57/05/01/1032570501.db2.gz SZHOLCIEGCXJJV-IAGOWNOFSA-N 2 0 318.505 3.899 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171395776 1032578377 /nfs/dbraw/zinc/57/83/77/1032578377.db2.gz IFLRBVWBZSUGBL-KRWDZBQOSA-N 2 0 304.453 3.667 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171401270 1032588423 /nfs/dbraw/zinc/58/84/23/1032588423.db2.gz LFODZCVUHOIJMV-DOTOQJQBSA-N 2 0 306.469 3.783 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424290592 1011960071 /nfs/dbraw/zinc/96/00/71/1011960071.db2.gz MXFHEUUBAMYACN-CYBMUJFWSA-N 2 0 312.379 3.669 20 0 DHADRP Cc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c2ccccc2n1 ZINC000424302395 1011986909 /nfs/dbraw/zinc/98/69/09/1011986909.db2.gz ZJUJUKKTYTURGJ-INIZCTEOSA-N 2 0 309.457 3.507 20 0 DHADRP Cc1cccnc1[C@@H]([NH2+]C[C@@H](C[NH3+])c1ccc(F)cc1)C(C)C ZINC000424303377 1011989603 /nfs/dbraw/zinc/98/96/03/1011989603.db2.gz NTBFMICMTYYJQO-AEFFLSMTSA-N 2 0 315.436 3.558 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C(F)(F)F)s1)CC[NH2+]CC2 ZINC000424373050 1012014591 /nfs/dbraw/zinc/01/45/91/1012014591.db2.gz GKXZZZULNKPRJL-NSHDSACASA-N 2 0 318.408 3.731 20 0 DHADRP Cc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc2cccnc12 ZINC000424382400 1012016814 /nfs/dbraw/zinc/01/68/14/1012016814.db2.gz SDDLNEPGLJRVCS-MRXNPFEDSA-N 2 0 309.457 3.507 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1cc3cc(F)ccc3o1)CC[NH2+]CC2 ZINC000424384751 1012017252 /nfs/dbraw/zinc/01/72/52/1012017252.db2.gz VMXUXUUAZOXBBN-ZDUSSCGKSA-N 2 0 302.393 3.536 20 0 DHADRP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761338 1012074601 /nfs/dbraw/zinc/07/46/01/1012074601.db2.gz WYWZTEURHZGIJN-OCCSQVGLSA-N 2 0 315.288 3.985 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546314 1012095796 /nfs/dbraw/zinc/09/57/96/1012095796.db2.gz MKLZVSRMIAHFGU-DOTOQJQBSA-N 2 0 302.462 3.799 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954538 1032605842 /nfs/dbraw/zinc/60/58/42/1032605842.db2.gz XOQANNMVAGNILZ-BBWFWOEESA-N 2 0 304.865 3.708 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000425376719 1012511154 /nfs/dbraw/zinc/51/11/54/1012511154.db2.gz FQBPDMWOGJARNA-CEXWTWQISA-N 2 0 318.530 3.772 20 0 DHADRP CCCN(CC)C[C@@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000515257427 1012588722 /nfs/dbraw/zinc/58/87/22/1012588722.db2.gz QAQKGPGPVITPMJ-HZPDHXFCSA-N 2 0 316.493 3.594 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC001208740405 1012617381 /nfs/dbraw/zinc/61/73/81/1012617381.db2.gz ABSJZQBATIWROO-UHFFFAOYSA-N 2 0 308.897 3.935 20 0 DHADRP COCCC1(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)CCCCC1 ZINC000436276867 1012711528 /nfs/dbraw/zinc/71/15/28/1012711528.db2.gz VRBAWPISJVOJBB-ZWKOTPCHSA-N 2 0 310.526 3.826 20 0 DHADRP CSc1cc(C)cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001280162417 1012752579 /nfs/dbraw/zinc/75/25/79/1012752579.db2.gz BDRXQJNOPLZPTP-UHFFFAOYSA-N 2 0 304.503 3.635 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(OC)cc1 ZINC000123642470 1032653953 /nfs/dbraw/zinc/65/39/53/1032653953.db2.gz RQDOGGUVQSUGCT-FQEVSTJZSA-N 2 0 312.457 3.998 20 0 DHADRP C[C@H]([NH3+])c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961899 1012812676 /nfs/dbraw/zinc/81/26/76/1012812676.db2.gz QAVLNPJNIQUPOE-JTUUTPGSSA-N 2 0 324.472 3.634 20 0 DHADRP FC(F)(F)c1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261946432 1012910843 /nfs/dbraw/zinc/91/08/43/1012910843.db2.gz MIHUBRWQGZBGRL-MRXNPFEDSA-N 2 0 312.379 3.669 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000366678734 1012919792 /nfs/dbraw/zinc/91/97/92/1012919792.db2.gz MVDWLTWLKBRJBS-IAGOWNOFSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@H+](CCCOc1cccc(Cl)c1)CC[C@H]1CCC[NH+]1C ZINC001167094614 1012926498 /nfs/dbraw/zinc/92/64/98/1012926498.db2.gz WIFZZPMUDLZFBN-MRXNPFEDSA-N 2 0 310.869 3.525 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CCCC1 ZINC000425921459 1012953523 /nfs/dbraw/zinc/95/35/23/1012953523.db2.gz LPXWCAUYYLOQTE-DNVCBOLYSA-N 2 0 304.478 3.714 20 0 DHADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000425939418 1012981665 /nfs/dbraw/zinc/98/16/65/1012981665.db2.gz TWWZRDXEKVVMFA-SWLSCSKDSA-N 2 0 300.393 3.526 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000425945896 1012990986 /nfs/dbraw/zinc/99/09/86/1012990986.db2.gz MNYKEHPCMDEADM-UONOGXRCSA-N 2 0 312.885 3.976 20 0 DHADRP Fc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000537696317 1032676096 /nfs/dbraw/zinc/67/60/96/1032676096.db2.gz GYSSHABFSGTNKA-KDOFPFPSSA-N 2 0 322.855 3.928 20 0 DHADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475283052 1017114750 /nfs/dbraw/zinc/11/47/50/1017114750.db2.gz SSRMNIQKGXYFKA-HOCLYGCPSA-N 2 0 314.395 3.829 20 0 DHADRP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000623575058 1017118153 /nfs/dbraw/zinc/11/81/53/1017118153.db2.gz IKCXCHOQTZNJQG-UHFFFAOYSA-N 2 0 322.880 3.560 20 0 DHADRP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc2ccccc21 ZINC000623657292 1017155603 /nfs/dbraw/zinc/15/56/03/1017155603.db2.gz MVFJPRRXAAJUES-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@H]([NH2+]CCc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178144642 1017166731 /nfs/dbraw/zinc/16/67/31/1017166731.db2.gz NEYAEKHTSLQGJE-KRWDZBQOSA-N 2 0 312.457 3.520 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000623696413 1017187582 /nfs/dbraw/zinc/18/75/82/1017187582.db2.gz CZQFOHAVGHMKOC-UHFFFAOYSA-N 2 0 322.403 3.737 20 0 DHADRP Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000301656446 1017270391 /nfs/dbraw/zinc/27/03/91/1017270391.db2.gz HYNHFCYOGLYZCI-QGZVFWFLSA-N 2 0 313.376 3.990 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000075007631 1017287245 /nfs/dbraw/zinc/28/72/45/1017287245.db2.gz MCHIVMZBLGELNB-UHFFFAOYSA-N 2 0 324.896 3.663 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000623751770 1017341697 /nfs/dbraw/zinc/34/16/97/1017341697.db2.gz LQTCZCHOACHOPY-NUJGCVRESA-N 2 0 304.865 3.934 20 0 DHADRP CCSCC[N@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154824 1017380783 /nfs/dbraw/zinc/38/07/83/1017380783.db2.gz PRPFGSBBMMVMBK-GOSISDBHSA-N 2 0 306.519 3.584 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000475553541 1017422028 /nfs/dbraw/zinc/42/20/28/1017422028.db2.gz LHIXPMGZSZJILE-VQIMIIECSA-N 2 0 304.453 3.926 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000925151722 1017438686 /nfs/dbraw/zinc/43/86/86/1017438686.db2.gz OIBONPABRIWKNX-IBGZPJMESA-N 2 0 301.478 3.634 20 0 DHADRP FC1(F)CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716619398 1032699841 /nfs/dbraw/zinc/69/98/41/1032699841.db2.gz CVLPWZCHOXSVIQ-MLHJIOFPSA-N 2 0 320.427 3.817 20 0 DHADRP C[C@@H](Cc1ccco1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716649013 1032700453 /nfs/dbraw/zinc/70/04/53/1032700453.db2.gz HMOMHMDBSITWOK-FFGOWVMKSA-N 2 0 324.468 3.853 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccnc2C)CC1 ZINC000180791650 1017507036 /nfs/dbraw/zinc/50/70/36/1017507036.db2.gz LRFWTOARZQAVJB-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)cc1 ZINC000623853995 1017546594 /nfs/dbraw/zinc/54/65/94/1017546594.db2.gz OCTPMNRLDVMREQ-APWZRJJASA-N 2 0 304.478 3.576 20 0 DHADRP c1nc2c(s1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000623893538 1017558759 /nfs/dbraw/zinc/55/87/59/1017558759.db2.gz ULYYYCSKGBZVTQ-OAHLLOKOSA-N 2 0 307.507 3.766 20 0 DHADRP CCCCN(CC)CC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171451346 1032708248 /nfs/dbraw/zinc/70/82/48/1032708248.db2.gz ZSZVDNKRVMIHIB-MRXNPFEDSA-N 2 0 310.432 3.534 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C ZINC000657612603 1017570782 /nfs/dbraw/zinc/57/07/82/1017570782.db2.gz AVZLFBGIGGUGRG-MBOZVWFJSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613562 1017582653 /nfs/dbraw/zinc/58/26/53/1017582653.db2.gz NNAMVXHQEAVGQF-QFBILLFUSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623928394 1017584924 /nfs/dbraw/zinc/58/49/24/1017584924.db2.gz OMYUPNBSPXLIBF-LLVKDONJSA-N 2 0 316.342 3.757 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCCO1 ZINC000623923650 1017588473 /nfs/dbraw/zinc/58/84/73/1017588473.db2.gz HKRRPYVYYJZVBZ-UGXKVIGPSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc(C)c1O ZINC000314899046 1032710537 /nfs/dbraw/zinc/71/05/37/1032710537.db2.gz BJRDBMZVTVCOER-UHFFFAOYSA-N 2 0 304.478 3.753 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1F ZINC000624120566 1017692934 /nfs/dbraw/zinc/69/29/34/1017692934.db2.gz BRWCCZRTOPAQDW-KBPBESRZSA-N 2 0 310.482 3.930 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121102 1017694817 /nfs/dbraw/zinc/69/48/17/1017694817.db2.gz OAHNKYOEVQAIDN-BRWVUGGUSA-N 2 0 304.478 3.509 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624123711 1017696415 /nfs/dbraw/zinc/69/64/15/1017696415.db2.gz RIQNIYODWGXEAX-WOUAJJJCSA-N 2 0 316.489 3.509 20 0 DHADRP Cc1ccc(C)c2nc(Cl)c(C[NH+]3CCC(C[NH3+])CC3)cc12 ZINC001205053938 1017760616 /nfs/dbraw/zinc/76/06/16/1017760616.db2.gz WHCRYKCJUYEICD-UHFFFAOYSA-N 2 0 317.864 3.676 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000643344984 1017793250 /nfs/dbraw/zinc/79/32/50/1017793250.db2.gz DISWOUCTLNTFDN-KGLIPLIRSA-N 2 0 312.860 3.732 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445470425 1017869650 /nfs/dbraw/zinc/86/96/50/1017869650.db2.gz KOOSHFGDPAEBQD-DLBZAZTESA-N 2 0 300.490 3.900 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358795054 1017888271 /nfs/dbraw/zinc/88/82/71/1017888271.db2.gz ZSSLHPYNXCSYQF-HIFRSBDPSA-N 2 0 300.368 3.582 20 0 DHADRP Cc1ccc2c(C)cc(N3CCC4(CCC[N@H+]4C)CC3)nc2c1 ZINC000445590399 1017918206 /nfs/dbraw/zinc/91/82/06/1017918206.db2.gz BUAYTXHSRZZSQI-UHFFFAOYSA-N 2 0 309.457 3.916 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000318634449 1018016086 /nfs/dbraw/zinc/01/60/86/1018016086.db2.gz FQFLLROQXBCWGD-MOPGFXCFSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000658069814 1018026159 /nfs/dbraw/zinc/02/61/59/1018026159.db2.gz ISZIPCRFXYPRIH-MBOZVWFJSA-N 2 0 322.537 3.682 20 0 DHADRP CN(c1ccccc1C[NH2+]Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000123023908 1018038265 /nfs/dbraw/zinc/03/82/65/1018038265.db2.gz VYMZSCLGLJFTQE-UHFFFAOYSA-N 2 0 323.484 3.507 20 0 DHADRP Cc1cc(F)ccc1C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000658089491 1018065721 /nfs/dbraw/zinc/06/57/21/1018065721.db2.gz VJZYNGBBWJWUDR-HNNXBMFYSA-N 2 0 306.469 3.918 20 0 DHADRP Clc1ccc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000524893168 1018119587 /nfs/dbraw/zinc/11/95/87/1018119587.db2.gz DQNBTEGSCKIMBB-KRWDZBQOSA-N 2 0 306.881 3.690 20 0 DHADRP CCC[NH+]1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000126399309 1018209773 /nfs/dbraw/zinc/20/97/73/1018209773.db2.gz UPCVGGXPCOKOMA-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000380945277 1018215755 /nfs/dbraw/zinc/21/57/55/1018215755.db2.gz OKWNLNAPMAWFFC-HXUWFJFHSA-N 2 0 308.469 3.915 20 0 DHADRP CN(Cc1ccccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525268943 1018226872 /nfs/dbraw/zinc/22/68/72/1018226872.db2.gz NNYLLKYZWFDLFT-GOSISDBHSA-N 2 0 312.432 3.780 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000446808663 1018256259 /nfs/dbraw/zinc/25/62/59/1018256259.db2.gz MOAAODBNUAHAGW-HNNXBMFYSA-N 2 0 300.421 3.781 20 0 DHADRP C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658219481 1018290002 /nfs/dbraw/zinc/29/00/02/1018290002.db2.gz ITMWDMOPCJCODX-CGTJXYLNSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[C@H](C)O3)CC2)C1 ZINC000658221915 1018294037 /nfs/dbraw/zinc/29/40/37/1018294037.db2.gz VFYNQJBNEAQIFP-NEPXVJNWSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000278185930 1018304739 /nfs/dbraw/zinc/30/47/39/1018304739.db2.gz BVGXSEXHJMIPSY-IBGZPJMESA-N 2 0 301.478 3.633 20 0 DHADRP C[NH+](C)[C@@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447325074 1018373616 /nfs/dbraw/zinc/37/36/16/1018373616.db2.gz OOZJAOWZHSMPQP-MRXNPFEDSA-N 2 0 315.288 3.952 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000764826236 1018394560 /nfs/dbraw/zinc/39/45/60/1018394560.db2.gz BMQHGJPJDIYIGJ-KRWDZBQOSA-N 2 0 318.505 3.726 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000174307113 1018414019 /nfs/dbraw/zinc/41/40/19/1018414019.db2.gz NJJVALUFIOPHLB-SFHVURJKSA-N 2 0 310.441 3.546 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000447559576 1018424311 /nfs/dbraw/zinc/42/43/11/1018424311.db2.gz UMEVGVLBFKPESN-SFHVURJKSA-N 2 0 308.416 3.880 20 0 DHADRP CC(C)C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000447596523 1018434033 /nfs/dbraw/zinc/43/40/33/1018434033.db2.gz CODCDJABSGCYCR-QGZVFWFLSA-N 2 0 312.885 3.595 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080339068 1018451617 /nfs/dbraw/zinc/45/16/17/1018451617.db2.gz WJUGKZITVVJDRZ-YLJYHZDGSA-N 2 0 324.468 3.838 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000447733962 1018465723 /nfs/dbraw/zinc/46/57/23/1018465723.db2.gz RNKLXCYRZBNIHF-ICSRJNTNSA-N 2 0 318.505 3.613 20 0 DHADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)ccc1C ZINC000447822051 1018479568 /nfs/dbraw/zinc/47/95/68/1018479568.db2.gz OUHXUTMHYFECFS-KRWDZBQOSA-N 2 0 304.478 3.748 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000447822606 1018479798 /nfs/dbraw/zinc/47/97/98/1018479798.db2.gz QQRAONBZPLQQLG-AWEZNQCLSA-N 2 0 312.860 3.733 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000566555704 1018484393 /nfs/dbraw/zinc/48/43/93/1018484393.db2.gz RKTBUULBJAQKOY-OAHLLOKOSA-N 2 0 301.478 3.813 20 0 DHADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000843340846 1018486674 /nfs/dbraw/zinc/48/66/74/1018486674.db2.gz FYHVSMNJGHPDES-SNVBAGLBSA-N 2 0 304.265 3.745 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000635004347 1018508534 /nfs/dbraw/zinc/50/85/34/1018508534.db2.gz DBMPYZGXQPPJNE-UXIGCNINSA-N 2 0 310.894 3.984 20 0 DHADRP OCCC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925204787 1018521683 /nfs/dbraw/zinc/52/16/83/1018521683.db2.gz GQSCXYGXMUKDTN-YLJYHZDGSA-N 2 0 322.537 3.704 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)[C@H]1CC[NH3+] ZINC000650711148 1018538750 /nfs/dbraw/zinc/53/87/50/1018538750.db2.gz JWOYQSDUPSEFDD-CJNGLKHVSA-N 2 0 307.507 3.750 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CCc1ccccc1F ZINC000650720010 1018568426 /nfs/dbraw/zinc/56/84/26/1018568426.db2.gz BYSJSWRURXCSPE-OAHLLOKOSA-N 2 0 300.421 3.656 20 0 DHADRP CC1(C)CCC(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000650722781 1018576545 /nfs/dbraw/zinc/57/65/45/1018576545.db2.gz AXYIBYWCYJNPEX-RCCFBDPRSA-N 2 0 308.510 3.564 20 0 DHADRP CC[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000650723524 1018578952 /nfs/dbraw/zinc/57/89/52/1018578952.db2.gz PRPKXQDXNQDSPU-AFYVEPGGSA-N 2 0 316.489 3.541 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC2CCCCCC2)C1 ZINC000650725312 1018585480 /nfs/dbraw/zinc/58/54/80/1018585480.db2.gz XYMFEDSARLBKIV-GUDVDZBRSA-N 2 0 308.510 3.708 20 0 DHADRP Clc1cnccc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000858127371 1032775513 /nfs/dbraw/zinc/77/55/13/1032775513.db2.gz DMZCCRNRRWCRIB-UHFFFAOYSA-N 2 0 309.885 3.871 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001171555953 1032775645 /nfs/dbraw/zinc/77/56/45/1032775645.db2.gz FPQPIBCDCZOTFY-IBGZPJMESA-N 2 0 300.490 3.708 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]1NCc1cccc(Oc2ccccc2F)c1 ZINC000650741079 1018628874 /nfs/dbraw/zinc/62/88/74/1018628874.db2.gz XKGKWYVSTPQNAW-IAGOWNOFSA-N 2 0 300.377 3.587 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000705344989 1018648714 /nfs/dbraw/zinc/64/87/14/1018648714.db2.gz XICGQIRPKYJLCL-PMACEKPBSA-N 2 0 300.490 3.923 20 0 DHADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000650747243 1018651159 /nfs/dbraw/zinc/65/11/59/1018651159.db2.gz VOSMMTGYFGXWGH-AWEZNQCLSA-N 2 0 316.367 3.755 20 0 DHADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000650747244 1018651301 /nfs/dbraw/zinc/65/13/01/1018651301.db2.gz VOSMMTGYFGXWGH-CQSZACIVSA-N 2 0 316.367 3.755 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000650753172 1018670647 /nfs/dbraw/zinc/67/06/47/1018670647.db2.gz IGRYXULQARNDDM-KRWDZBQOSA-N 2 0 304.796 3.715 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650753207 1018671062 /nfs/dbraw/zinc/67/10/62/1018671062.db2.gz IVDIXTCRKHXIDC-KGLIPLIRSA-N 2 0 316.420 3.575 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(F)nc2C)c1 ZINC000278418179 1018675541 /nfs/dbraw/zinc/67/55/41/1018675541.db2.gz QGAMHCSRYVRJBB-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccnc(F)c2)CC1 ZINC000858139538 1032778233 /nfs/dbraw/zinc/77/82/33/1032778233.db2.gz VDYPFMZMXNYUEW-HNNXBMFYSA-N 2 0 313.420 3.536 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762188 1018710378 /nfs/dbraw/zinc/71/03/78/1018710378.db2.gz WGNXPOBJUKRRLO-CYBMUJFWSA-N 2 0 314.395 3.616 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278491999 1018744799 /nfs/dbraw/zinc/74/47/99/1018744799.db2.gz PSRULDRNCVETRR-HZPDHXFCSA-N 2 0 316.489 3.651 20 0 DHADRP Cc1nc(F)ccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000278531868 1018786844 /nfs/dbraw/zinc/78/68/44/1018786844.db2.gz RWHIURPWRDOBNZ-UHFFFAOYSA-N 2 0 315.436 3.659 20 0 DHADRP CSCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000385789412 1018791036 /nfs/dbraw/zinc/79/10/36/1018791036.db2.gz DQMDOFPGQVQRKD-KWXGJIJISA-N 2 0 310.551 3.809 20 0 DHADRP C(C1CCSCC1)[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001279643945 1018798962 /nfs/dbraw/zinc/79/89/62/1018798962.db2.gz DUXDCFRFMQVUEI-LJQANCHMSA-N 2 0 322.562 3.860 20 0 DHADRP CC(C)(C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000657812861 1018810866 /nfs/dbraw/zinc/81/08/66/1018810866.db2.gz IOKUWLQYDMQWTP-UHFFFAOYSA-N 2 0 300.490 3.676 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000158592551 1018859924 /nfs/dbraw/zinc/85/99/24/1018859924.db2.gz SQOGUWCSALNNOO-JYJNAYRXSA-N 2 0 307.457 3.629 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000584021307 1018867102 /nfs/dbraw/zinc/86/71/02/1018867102.db2.gz OQVXYDBGBBNXMM-ZMUQKWFASA-N 2 0 302.437 3.503 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001172875859 1033448515 /nfs/dbraw/zinc/44/85/15/1033448515.db2.gz RYXNEYLIUZBKMK-UONOGXRCSA-N 2 0 312.910 3.752 20 0 DHADRP C1CC[NH+](C2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)CC1 ZINC000921823226 1018911971 /nfs/dbraw/zinc/91/19/71/1018911971.db2.gz SZQSCOWLTCFECD-XDPIZLSQSA-N 2 0 320.521 3.578 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261861845 1018946060 /nfs/dbraw/zinc/94/60/60/1018946060.db2.gz FYMIVXLSGWQHPD-CYBMUJFWSA-N 2 0 319.836 3.556 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCSCC1 ZINC000657828475 1018948650 /nfs/dbraw/zinc/94/86/50/1018948650.db2.gz UACSLOUOENAUPG-GOSISDBHSA-N 2 0 306.519 3.904 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000858196180 1032801739 /nfs/dbraw/zinc/80/17/39/1032801739.db2.gz IXSDJGSVTNVJIR-WMLDXEAASA-N 2 0 302.462 3.535 20 0 DHADRP C(C[C@@H]1CCC2(CCC2)O1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922968197 1018955152 /nfs/dbraw/zinc/95/51/52/1018955152.db2.gz RBGIGNGHTXHNDR-IBGZPJMESA-N 2 0 320.521 3.865 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921537094 1018956718 /nfs/dbraw/zinc/95/67/18/1018956718.db2.gz UZDYLPSSFGYLLQ-ZDUSSCGKSA-N 2 0 324.900 3.542 20 0 DHADRP Cc1noc(C)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159021803 1018982035 /nfs/dbraw/zinc/98/20/35/1018982035.db2.gz XDIBTIZZNCHSRQ-HNNXBMFYSA-N 2 0 319.493 3.768 20 0 DHADRP COc1cccc([C@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171619069 1032801326 /nfs/dbraw/zinc/80/13/26/1032801326.db2.gz GSJSKSMQZQRFEJ-AWEZNQCLSA-N 2 0 304.478 3.997 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220669 1019028798 /nfs/dbraw/zinc/02/87/98/1019028798.db2.gz PPYGCOLFFZLQHM-BLLLJJGKSA-N 2 0 313.272 3.910 20 0 DHADRP CC(C)Oc1cccc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000584236610 1019039192 /nfs/dbraw/zinc/03/91/92/1019039192.db2.gz PCPCFXHOMPLNLX-UHFFFAOYSA-N 2 0 324.468 3.752 20 0 DHADRP C[C@H](C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)CC(C)(C)CC[NH3+] ZINC001171625952 1032806139 /nfs/dbraw/zinc/80/61/39/1032806139.db2.gz PYXFYIYHXBZCEJ-HNNXBMFYSA-N 3 0 311.558 3.629 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357719 1019095383 /nfs/dbraw/zinc/09/53/83/1019095383.db2.gz VYMDLTCMYULSPK-INIZCTEOSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000387395857 1019102362 /nfs/dbraw/zinc/10/23/62/1019102362.db2.gz IVVQBBMDJLDTHT-LBPRGKRZSA-N 2 0 316.367 3.707 20 0 DHADRP Oc1cccc(C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2CC2)c1 ZINC000923308651 1019124952 /nfs/dbraw/zinc/12/49/52/1019124952.db2.gz HHKREEQEACAQIY-JLYLLQBASA-N 2 0 314.473 3.525 20 0 DHADRP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635011544 1019147932 /nfs/dbraw/zinc/14/79/32/1019147932.db2.gz QFUZQWQUVBDOFR-SFHVURJKSA-N 2 0 310.441 3.729 20 0 DHADRP Cc1nc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365067 1019152779 /nfs/dbraw/zinc/15/27/79/1019152779.db2.gz RVWRKLCDBZLHNK-HUUCEWRRSA-N 2 0 321.534 3.713 20 0 DHADRP C[C@@H]1CC(F)(F)CC[NH+]1C/C=C/C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000625980188 1019173012 /nfs/dbraw/zinc/17/30/12/1019173012.db2.gz HOGHGMOXSUKMJH-LSMGEYOZSA-N 2 0 322.390 3.782 20 0 DHADRP C[C@@H]1CC(F)(F)CCN1CCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000625980165 1019173773 /nfs/dbraw/zinc/17/37/73/1019173773.db2.gz GYDKIVZKEHFKEV-CHWSQXEVSA-N 2 0 310.379 3.616 20 0 DHADRP C[C@@H]1C[N@H+](Cc2csc(C3CCCCC3)n2)CC[C@H]1C[NH3+] ZINC000923501641 1019246343 /nfs/dbraw/zinc/24/63/43/1019246343.db2.gz RRBLTSYBDGSCIS-HIFRSBDPSA-N 2 0 307.507 3.608 20 0 DHADRP C[C@@H]1C[N@H+](Cc2csc(C3CCCCC3)n2)CC[C@@H]1C[NH3+] ZINC000923501642 1019246739 /nfs/dbraw/zinc/24/67/39/1019246739.db2.gz RRBLTSYBDGSCIS-UKRRQHHQSA-N 2 0 307.507 3.608 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCC2(F)CCC2)CN1Cc1ccccc1 ZINC000672616939 1019321006 /nfs/dbraw/zinc/32/10/06/1019321006.db2.gz QHAONRIXDMUPQM-KRWDZBQOSA-N 2 0 304.453 3.911 20 0 DHADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657859316 1019347078 /nfs/dbraw/zinc/34/70/78/1019347078.db2.gz SJVHFMRHZKKKGB-RTBURBONSA-N 2 0 318.530 3.774 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000090015092 1019372801 /nfs/dbraw/zinc/37/28/01/1019372801.db2.gz VFZOPIPGIRVVCU-UHFFFAOYSA-N 2 0 300.490 3.924 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001171667594 1032822955 /nfs/dbraw/zinc/82/29/55/1032822955.db2.gz XHWLMSKBHXBLED-KRWDZBQOSA-N 2 0 300.490 3.780 20 0 DHADRP COc1ccc(CC[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171639375 1032833228 /nfs/dbraw/zinc/83/32/28/1032833228.db2.gz IAZSCSDPZAJOJS-UHFFFAOYSA-N 2 0 318.505 3.821 20 0 DHADRP FC(F)n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000858295122 1032836643 /nfs/dbraw/zinc/83/66/43/1032836643.db2.gz WCVWNHNMRDAQLW-HUUCEWRRSA-N 2 0 319.399 3.753 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171637876 1032836688 /nfs/dbraw/zinc/83/66/88/1032836688.db2.gz QQIHIRPPYDKAEZ-UHFFFAOYSA-N 3 0 323.569 3.690 20 0 DHADRP CC[NH+](CC)C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC001118493546 1019548164 /nfs/dbraw/zinc/54/81/64/1019548164.db2.gz YOXAVGTWUIWEIE-SFHVURJKSA-N 2 0 300.490 3.913 20 0 DHADRP CC(C)[C@@H]1[NH2+]CCc2ncn(C3CC(C)(C)[NH+](C)C(C)(C)C3)c21 ZINC001171643882 1032840201 /nfs/dbraw/zinc/84/02/01/1032840201.db2.gz XHIKSPAXXSVCPR-INIZCTEOSA-N 2 0 318.509 3.550 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000093742254 1019581594 /nfs/dbraw/zinc/58/15/94/1019581594.db2.gz CWYVAIHSWKYXPZ-LJQANCHMSA-N 2 0 323.484 3.912 20 0 DHADRP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCC(=O)CC3)CC2)CC1(C)C ZINC001171643929 1032840779 /nfs/dbraw/zinc/84/07/79/1032840779.db2.gz YFZGXVUJVGIALV-UHFFFAOYSA-N 2 0 320.521 3.863 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C(F)F ZINC000657868508 1019591625 /nfs/dbraw/zinc/59/16/25/1019591625.db2.gz UUSSWMXRDOHBLZ-RDJZCZTQSA-N 2 0 324.459 3.820 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(OCC)c2)CC1 ZINC000765767036 1019645583 /nfs/dbraw/zinc/64/55/83/1019645583.db2.gz JSMXJIHAKKQBSN-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1C[C@H](n2cc(C[NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171727794 1032845540 /nfs/dbraw/zinc/84/55/40/1032845540.db2.gz YJNZPCJDHHCNRS-APWZRJJASA-N 2 0 319.452 3.936 20 0 DHADRP c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000148469697 1019699668 /nfs/dbraw/zinc/69/96/68/1019699668.db2.gz OCIKULPORBOHAA-WKCHPHFGSA-N 2 0 306.453 3.972 20 0 DHADRP C[C@@H](NCCC[NH+]1CCCCC1)c1nc2ccccc2s1 ZINC000021053458 1032848470 /nfs/dbraw/zinc/84/84/70/1032848470.db2.gz FQCRALJARKVQEF-CQSZACIVSA-N 2 0 303.475 3.823 20 0 DHADRP FCC1(CF)CC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000657875643 1019720666 /nfs/dbraw/zinc/72/06/66/1019720666.db2.gz HPPLTTBEXTYXRQ-KRWDZBQOSA-N 2 0 314.464 3.709 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000527518306 1019755192 /nfs/dbraw/zinc/75/51/92/1019755192.db2.gz GMJMAEOLFYBABT-HESLUPGFSA-N 2 0 306.416 3.675 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000166031996 1019767723 /nfs/dbraw/zinc/76/77/23/1019767723.db2.gz IKBKNQQZXNBBFG-YQVWRLOYSA-N 2 0 302.462 3.609 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671738734 1019875940 /nfs/dbraw/zinc/87/59/40/1019875940.db2.gz DSSNEMAHFQKBBN-KBPBESRZSA-N 2 0 319.449 3.695 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)C(C)(C)O1 ZINC000765774371 1019896858 /nfs/dbraw/zinc/89/68/58/1019896858.db2.gz CWPFXSXHLWPEIG-KRWDZBQOSA-N 2 0 310.526 3.968 20 0 DHADRP CCOC1CCC([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000657900482 1019900775 /nfs/dbraw/zinc/90/07/75/1019900775.db2.gz PZRITESAZCIYGB-QHGAOEGBSA-N 2 0 318.505 3.834 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000371792491 1019908453 /nfs/dbraw/zinc/90/84/53/1019908453.db2.gz KZSQEHJFQLXYGG-MJGOQNOKSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657966756 1020043069 /nfs/dbraw/zinc/04/30/69/1020043069.db2.gz IUSBKTCWHZJKLG-YTQUADARSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000585750640 1020081148 /nfs/dbraw/zinc/08/11/48/1020081148.db2.gz OLWNIBBITGYOHS-INIZCTEOSA-N 2 0 319.408 3.828 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc2ccncc2s1 ZINC000658039389 1020101334 /nfs/dbraw/zinc/10/13/34/1020101334.db2.gz VRQBMZIORYBHNE-LRVUVFPRSA-N 2 0 303.475 3.820 20 0 DHADRP Cc1nn(C(C)C)cc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922502705 1020104140 /nfs/dbraw/zinc/10/41/40/1020104140.db2.gz GHVRQMLXTNIFIA-UHFFFAOYSA-N 2 0 318.509 3.659 20 0 DHADRP COc1ccccc1C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000158648444 1020114698 /nfs/dbraw/zinc/11/46/98/1020114698.db2.gz GZVFKNSXNNPJLJ-LPHOPBHVSA-N 2 0 318.505 3.582 20 0 DHADRP CCC[C@H](C)[C@@H](CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067195 1020126572 /nfs/dbraw/zinc/12/65/72/1020126572.db2.gz LPWBCZHVWDDDSC-QFBILLFUSA-N 2 0 310.526 3.682 20 0 DHADRP CCCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067679 1020127046 /nfs/dbraw/zinc/12/70/46/1020127046.db2.gz PBEDPWCWZUCSCP-ICSRJNTNSA-N 2 0 322.537 3.826 20 0 DHADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071209 1020132317 /nfs/dbraw/zinc/13/23/17/1020132317.db2.gz VXAAYLSKSQYIKF-IAGOWNOFSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C ZINC000658168829 1020199922 /nfs/dbraw/zinc/19/99/22/1020199922.db2.gz ZJSBOXXDKQYANZ-MBOZVWFJSA-N 2 0 315.505 3.708 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCCC4)CC2)ccn1 ZINC000658166230 1020200892 /nfs/dbraw/zinc/20/08/92/1020200892.db2.gz NEQGAKUWTPKVTB-LJQANCHMSA-N 2 0 313.489 3.606 20 0 DHADRP C[C@H]([NH2+]CCCc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658325530 1020302668 /nfs/dbraw/zinc/30/26/68/1020302668.db2.gz OMWKKJIODYHVQX-PKOBYXMFSA-N 2 0 312.457 3.712 20 0 DHADRP Cn1c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc2ccccc21 ZINC000922846899 1020304900 /nfs/dbraw/zinc/30/49/00/1020304900.db2.gz SHPRCYPQWBQYIP-UHFFFAOYSA-N 2 0 311.473 3.675 20 0 DHADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922846127 1020305554 /nfs/dbraw/zinc/30/55/54/1020305554.db2.gz VENXHYMWIDVARA-VNCLNFNDSA-N 2 0 304.453 3.753 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000922847832 1020307439 /nfs/dbraw/zinc/30/74/39/1020307439.db2.gz XOUBOQOREXNHCX-UHFFFAOYSA-N 2 0 312.379 3.601 20 0 DHADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355004 1020321253 /nfs/dbraw/zinc/32/12/53/1020321253.db2.gz GSBLTXKCCUXGLG-LJQANCHMSA-N 2 0 314.473 3.612 20 0 DHADRP Fc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001171801256 1032892529 /nfs/dbraw/zinc/89/25/29/1032892529.db2.gz KLVOOMVIVOEGDC-MSOLQXFVSA-N 2 0 316.464 3.633 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000282278711 1020360648 /nfs/dbraw/zinc/36/06/48/1020360648.db2.gz RPVBJNABLNPZBS-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP c1ccc2ncc(C[NH2+]CCCCC[NH+]3CCCCC3)cc2c1 ZINC000733326744 1020373771 /nfs/dbraw/zinc/37/37/71/1020373771.db2.gz XKUDINQRAYAHRM-UHFFFAOYSA-N 2 0 311.473 3.981 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCC2)cc1 ZINC000922887964 1020374151 /nfs/dbraw/zinc/37/41/51/1020374151.db2.gz HVNWVWRTBVXZAB-QWFCFKBJSA-N 2 0 314.473 3.753 20 0 DHADRP C[C@H](C[NH2+]CCCCCC[NH3+])c1cccc(Br)c1 ZINC000843128055 1020455357 /nfs/dbraw/zinc/45/53/57/1020455357.db2.gz SYPODIDUSLSSPX-CYBMUJFWSA-N 2 0 313.283 3.661 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000348053711 1020486299 /nfs/dbraw/zinc/48/62/99/1020486299.db2.gz HZNPUMHPNPHLOB-VIPLHTEESA-N 2 0 316.489 3.574 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474456007 1020496543 /nfs/dbraw/zinc/49/65/43/1020496543.db2.gz DPWUBGSUHFKNSJ-ZUJMUWTESA-N 2 0 318.427 3.818 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000378890079 1020521488 /nfs/dbraw/zinc/52/14/88/1020521488.db2.gz KUNRIARQYRGEPD-CQSZACIVSA-N 2 0 302.462 3.535 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166470274 1020558554 /nfs/dbraw/zinc/55/85/54/1020558554.db2.gz BGHWVVBJYFRMMS-IAGOWNOFSA-N 2 0 304.865 3.588 20 0 DHADRP CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926685124 1020649615 /nfs/dbraw/zinc/64/96/15/1020649615.db2.gz XQMOAUSEHMKKRJ-BEFAXECRSA-N 2 0 304.478 3.604 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+](C)C ZINC001171958373 1032926218 /nfs/dbraw/zinc/92/62/18/1032926218.db2.gz WVPVIUOSMDMFMU-CYBMUJFWSA-N 2 0 302.384 3.568 20 0 DHADRP C[N@@H+](Cc1ccc(SC(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000735871015 1020772055 /nfs/dbraw/zinc/77/20/55/1020772055.db2.gz UTTUHRSWDDPBMX-AWEZNQCLSA-N 2 0 314.445 3.775 20 0 DHADRP CC[C@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647498235 1020773628 /nfs/dbraw/zinc/77/36/28/1020773628.db2.gz CYYBGUPZDJNQAA-AAEUAGOBSA-N 2 0 318.795 3.501 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959118 1032927861 /nfs/dbraw/zinc/92/78/61/1032927861.db2.gz QKLHNTMCAWAKBI-CYBMUJFWSA-N 2 0 302.384 3.696 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]Cc2cn(C(F)F)c3ccccc23)CC1 ZINC000858536525 1032935083 /nfs/dbraw/zinc/93/50/83/1032935083.db2.gz LUMPHWLFKOXSDP-UHFFFAOYSA-N 2 0 321.415 3.999 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC000613262391 1020877531 /nfs/dbraw/zinc/87/75/31/1020877531.db2.gz FQCLNNZTZPRRBI-IBGZPJMESA-N 2 0 323.484 3.886 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc(C[NH+](C)C)c1 ZINC000926738504 1020899893 /nfs/dbraw/zinc/89/98/93/1020899893.db2.gz SXYAYBFUWQKOBX-IUODEOHRSA-N 2 0 315.288 3.983 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000414122926 1020914119 /nfs/dbraw/zinc/91/41/19/1020914119.db2.gz AXRATLVYSGNRHN-ACJLOTCBSA-N 2 0 322.880 3.632 20 0 DHADRP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000414122927 1020914505 /nfs/dbraw/zinc/91/45/05/1020914505.db2.gz AXRATLVYSGNRHN-FZKQIMNGSA-N 2 0 322.880 3.632 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000668817876 1020956259 /nfs/dbraw/zinc/95/62/59/1020956259.db2.gz BKDZOJYKXXZPIC-ULQDDVLXSA-N 2 0 310.551 3.618 20 0 DHADRP CC1(c2ccccc2)CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000668817853 1020956729 /nfs/dbraw/zinc/95/67/29/1020956729.db2.gz AYFJAEAMAVUIDN-KMFTYDHNSA-N 2 0 312.501 3.818 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000414168545 1020956792 /nfs/dbraw/zinc/95/67/92/1020956792.db2.gz AKTCVMPPGKIPQT-AEFFLSMTSA-N 2 0 314.473 3.754 20 0 DHADRP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000414170067 1020958370 /nfs/dbraw/zinc/95/83/70/1020958370.db2.gz BOJXYOWIXNDBLX-VQIMIIECSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414225817 1021012142 /nfs/dbraw/zinc/01/21/42/1021012142.db2.gz BPINQUGHSMFXHG-CKEIUWERSA-N 2 0 322.443 3.705 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CS1 ZINC000414234062 1021017938 /nfs/dbraw/zinc/01/79/38/1021017938.db2.gz SFYAUYAFMPTRHQ-SJQORLFUSA-N 2 0 316.514 3.666 20 0 DHADRP CCc1onc(C)c1C[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000892611931 1021089403 /nfs/dbraw/zinc/08/94/03/1021089403.db2.gz CRSLUSREPLWPHB-UHFFFAOYSA-N 2 0 315.461 3.677 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(F)cc2C)c1 ZINC000892613969 1021092861 /nfs/dbraw/zinc/09/28/61/1021092861.db2.gz ZXALSDTUYHKXGQ-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP CC1(C)C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC001171972208 1032956167 /nfs/dbraw/zinc/95/61/67/1032956167.db2.gz OIBNSTXPCPXQNB-QZTJIDSGSA-N 2 0 316.489 3.587 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1cccc(Cl)c1 ZINC000414364944 1021135819 /nfs/dbraw/zinc/13/58/19/1021135819.db2.gz NGOZIPFRQYMNGL-YESZJQIVSA-N 2 0 322.880 3.714 20 0 DHADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542923 1021145060 /nfs/dbraw/zinc/14/50/60/1021145060.db2.gz DSNICSGYWAXMOK-HZPDHXFCSA-N 2 0 321.534 3.553 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCC2)cc1 ZINC000647549091 1021156783 /nfs/dbraw/zinc/15/67/83/1021156783.db2.gz HXKNUDAEXRTWPE-IIDMSEBBSA-N 2 0 318.892 3.739 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423274684 1021164682 /nfs/dbraw/zinc/16/46/82/1021164682.db2.gz KTJIAZSJJONWEC-NVLWSQAISA-N 2 0 306.416 3.851 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)cc1 ZINC000423296176 1021167113 /nfs/dbraw/zinc/16/71/13/1021167113.db2.gz YOIRCXBIESNSMF-HOTGVXAUSA-N 2 0 320.440 3.743 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423369059 1021189526 /nfs/dbraw/zinc/18/95/26/1021189526.db2.gz DTAYJDKVLXXYJN-YCPHGPKFSA-N 2 0 308.853 3.722 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423403926 1021197878 /nfs/dbraw/zinc/19/78/78/1021197878.db2.gz XKMOWRDONBHFQI-YQGXSICGSA-N 2 0 316.489 3.822 20 0 DHADRP C[N@H+](CCC(F)(F)F)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001202345306 1021209169 /nfs/dbraw/zinc/20/91/69/1021209169.db2.gz APUXVIIJTXBNQR-UHFFFAOYSA-N 2 0 314.395 3.783 20 0 DHADRP CC(C)(O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977212 1032967681 /nfs/dbraw/zinc/96/76/81/1032967681.db2.gz YXFMMAHCZWQXOV-GOSISDBHSA-N 2 0 318.505 3.570 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccns2)cc1 ZINC000924584531 1021257716 /nfs/dbraw/zinc/25/77/16/1021257716.db2.gz GNMQGROIRYUKOO-CQSZACIVSA-N 2 0 303.475 3.836 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423481505 1021257751 /nfs/dbraw/zinc/25/77/51/1021257751.db2.gz WWMACEMYNQCDEP-GDAAHCPNSA-N 2 0 304.453 3.543 20 0 DHADRP CCCN(Cc1c(C)cc(Cl)nc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842276 1021347945 /nfs/dbraw/zinc/34/79/45/1021347945.db2.gz DNRKOTGCGMWKDJ-GFCCVEGCSA-N 2 0 316.276 3.518 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000181911524 1021389295 /nfs/dbraw/zinc/38/92/95/1021389295.db2.gz QCRSNWUGXZSUOH-GXTWGEPZSA-N 2 0 316.367 3.720 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1F ZINC000624120568 1021391593 /nfs/dbraw/zinc/39/15/93/1021391593.db2.gz BRWCCZRTOPAQDW-UONOGXRCSA-N 2 0 310.482 3.930 20 0 DHADRP CSC1(C[NH2+][C@@H](C)C[C@H](C)CC(C)C)CC[NH+](C)CC1 ZINC000589349455 1021429032 /nfs/dbraw/zinc/42/90/32/1021429032.db2.gz BGRGOJMJEPOQOA-CVEARBPZSA-N 2 0 300.556 3.864 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648362447 1021466046 /nfs/dbraw/zinc/46/60/46/1021466046.db2.gz BOLQMUNFVOVHDU-UHFFFAOYSA-N 2 0 321.852 3.645 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000092856920 1021491388 /nfs/dbraw/zinc/49/13/88/1021491388.db2.gz QHICELWEDHKUSE-KRWDZBQOSA-N 2 0 309.457 3.957 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121822 1021503193 /nfs/dbraw/zinc/50/31/93/1021503193.db2.gz DMVCFXJECYQMRS-UXHICEINSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1cccnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000093190386 1021524890 /nfs/dbraw/zinc/52/48/90/1021524890.db2.gz VGEYQECJGINASW-SFHVURJKSA-N 2 0 315.505 3.867 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850430069 1021528955 /nfs/dbraw/zinc/52/89/55/1021528955.db2.gz HZNODEORRPYDKX-INIZCTEOSA-N 2 0 316.489 3.927 20 0 DHADRP FC1(F)CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063610 1032989685 /nfs/dbraw/zinc/98/96/85/1032989685.db2.gz AHSNHWCSXZNNHI-VBUUOAMHSA-N 2 0 320.427 3.959 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1cncc(C[NH+]2CCCC[C@@H]2C)c1 ZINC000556192473 1021599976 /nfs/dbraw/zinc/59/99/76/1021599976.db2.gz BLONXECEVCZRGF-CALCHBBNSA-N 2 0 301.478 3.830 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccnc(Cl)c1 ZINC000850585396 1021623886 /nfs/dbraw/zinc/62/38/86/1021623886.db2.gz XTPCOSSCPHRYHR-ZDUSSCGKSA-N 2 0 307.869 3.508 20 0 DHADRP C[NH2+]Cc1cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccc(C)cc12 ZINC001172127283 1032995868 /nfs/dbraw/zinc/99/58/68/1032995868.db2.gz HMOUIAIEWFVGFO-BCDXTJNWSA-N 2 0 311.473 3.857 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000538115627 1032991423 /nfs/dbraw/zinc/99/14/23/1032991423.db2.gz AZPKLQSYGKLPRL-ZWKOTPCHSA-N 2 0 324.896 3.738 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cc(OC)ccc3o2)[C@H](C)C1 ZINC000093639818 1021638607 /nfs/dbraw/zinc/63/86/07/1021638607.db2.gz HPSATGSZWJQWGG-RDTXWAMCSA-N 2 0 316.445 3.604 20 0 DHADRP CCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000093639366 1021639194 /nfs/dbraw/zinc/63/91/94/1021639194.db2.gz FUCJBFWBQXFMFW-LPHOPBHVSA-N 2 0 304.478 3.638 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000538115624 1032991925 /nfs/dbraw/zinc/99/19/25/1032991925.db2.gz AZPKLQSYGKLPRL-QZTJIDSGSA-N 2 0 324.896 3.738 20 0 DHADRP CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000926861283 1021670251 /nfs/dbraw/zinc/67/02/51/1021670251.db2.gz YINXCRDVYVTBAA-LZQZEXGQSA-N 2 0 304.478 3.604 20 0 DHADRP CSC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CCC1 ZINC000556475447 1021731677 /nfs/dbraw/zinc/73/16/77/1021731677.db2.gz VPEUWEHZYZEFRR-SJORKVTESA-N 2 0 310.551 3.859 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1)C2 ZINC001172102020 1033007331 /nfs/dbraw/zinc/00/73/31/1033007331.db2.gz JMRPMKULJLTKKZ-BJWYYQGGSA-N 2 0 322.880 3.714 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000556589033 1021781801 /nfs/dbraw/zinc/78/18/01/1021781801.db2.gz HHDUDCZTYQZMJX-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP c1cc2cnccc2c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000183057254 1021794993 /nfs/dbraw/zinc/79/49/93/1021794993.db2.gz NTFXMLMVHDJDSL-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000619774738 1021884808 /nfs/dbraw/zinc/88/48/08/1021884808.db2.gz YRQNZGRAYNNSJV-FUHWJXTLSA-N 2 0 304.478 3.543 20 0 DHADRP CC1CCC(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000619774581 1021887164 /nfs/dbraw/zinc/88/71/64/1021887164.db2.gz HEICFJYLBVAIPY-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP Cc1ccccc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309841401 1021890735 /nfs/dbraw/zinc/89/07/35/1021890735.db2.gz WFXSOFRUYSLNJA-NRFANRHFSA-N 2 0 308.469 3.997 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C2 ZINC001172112739 1033018112 /nfs/dbraw/zinc/01/81/12/1033018112.db2.gz ZLWPZSMIYPRJJA-WQZDSJPGSA-N 2 0 318.427 3.960 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000556890569 1021930042 /nfs/dbraw/zinc/93/00/42/1021930042.db2.gz NFLHVUNWGSDHAD-AYOQOUSVSA-N 2 0 322.443 3.750 20 0 DHADRP CCC[NH+]1CCC(N[C@@H](C)c2ccccc2OC(C)C)CC1 ZINC000378927621 1021948540 /nfs/dbraw/zinc/94/85/40/1021948540.db2.gz VEIKFXCZEUXMTG-INIZCTEOSA-N 2 0 304.478 3.999 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccs1 ZINC000305766759 1022025221 /nfs/dbraw/zinc/02/52/21/1022025221.db2.gz GNGPFKGTOXOGNC-GVDBMIGSSA-N 2 0 322.518 3.557 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2)C(C)C ZINC000766384144 1022085487 /nfs/dbraw/zinc/08/54/87/1022085487.db2.gz GVVMGMMIJUATAG-MRXNPFEDSA-N 2 0 304.478 3.781 20 0 DHADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000766451927 1022120212 /nfs/dbraw/zinc/12/02/12/1022120212.db2.gz PJCUILOEBRDPQM-IAGOWNOFSA-N 2 0 310.526 3.823 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CCOCC1 ZINC000766511216 1022144488 /nfs/dbraw/zinc/14/44/88/1022144488.db2.gz BHUPRGQUWWGZJZ-CTWPCTMYSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CSc3ccccc3C2)c1 ZINC001172191496 1033033022 /nfs/dbraw/zinc/03/30/22/1033033022.db2.gz SHUKMYHNCCCZFP-GOSISDBHSA-N 2 0 312.482 3.555 20 0 DHADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CSc2ccccc2C1 ZINC001172202777 1033038918 /nfs/dbraw/zinc/03/89/18/1033038918.db2.gz UCULSLMNIKJJAK-BZSNNMDCSA-N 2 0 318.530 3.931 20 0 DHADRP FC(F)(F)C1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000853241474 1022242721 /nfs/dbraw/zinc/24/27/21/1022242721.db2.gz VPYYEJGYEAJIFW-QQFBHYJXSA-N 2 0 318.427 3.819 20 0 DHADRP Cc1c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1C(F)(F)F ZINC001169098107 1022243970 /nfs/dbraw/zinc/24/39/70/1022243970.db2.gz FZNYGGFIQNKLSJ-QKDCVEJESA-N 2 0 312.379 3.729 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cc(Cl)ccc1Cl)C2 ZINC001169080315 1022250042 /nfs/dbraw/zinc/25/00/42/1022250042.db2.gz MMEMZZOOVGZMPR-QDMKHBRRSA-N 2 0 313.272 3.751 20 0 DHADRP Cc1ccccc1CC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169118562 1022258846 /nfs/dbraw/zinc/25/88/46/1022258846.db2.gz KJIPLJLYWHVRRY-REPLKXPHSA-N 2 0 300.490 3.779 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3c(F)cc(F)cc31)C2 ZINC001169125310 1022261085 /nfs/dbraw/zinc/26/10/85/1022261085.db2.gz YSUGAISKEZYFIX-AHXJXLJNSA-N 2 0 306.400 3.557 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCc4ccccc43)CC1)C2 ZINC001169127910 1022261235 /nfs/dbraw/zinc/26/12/35/1022261235.db2.gz AGFSAZLOBFYVNB-BWTSREIZSA-N 2 0 310.485 3.592 20 0 DHADRP Cc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169143697 1022274581 /nfs/dbraw/zinc/27/45/81/1022274581.db2.gz QESWHKPKGWGMJD-ACJLOTCBSA-N 2 0 300.450 3.827 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccc(Cl)cc3)C1)C2 ZINC001169145985 1022278083 /nfs/dbraw/zinc/27/80/83/1022278083.db2.gz NWMLQIKGESTZJB-BGTYHANMSA-N 2 0 304.865 3.755 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC2)cc1C[NH+]1CCCCC1 ZINC000182312530 1022280447 /nfs/dbraw/zinc/28/04/47/1022280447.db2.gz UFTUZKHKEFEOPF-HNNXBMFYSA-N 2 0 302.462 3.742 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Sc3ccccc3)CC1)C2 ZINC001169152270 1022282788 /nfs/dbraw/zinc/28/27/88/1022282788.db2.gz BQWHGROASKWADB-FVQHAEBGSA-N 2 0 316.514 3.868 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCSc2ccc(F)cc2)[C@H](C)C1 ZINC000154334760 1022295076 /nfs/dbraw/zinc/29/50/76/1022295076.db2.gz SWAKVVBQFHDCFE-RHSMWYFYSA-N 2 0 310.482 3.628 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]([NH3+])C1 ZINC000925541332 1022306925 /nfs/dbraw/zinc/30/69/25/1022306925.db2.gz KWZJKEIFGXYQBH-FQUUOJAGSA-N 2 0 306.416 3.851 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368528416 1022337586 /nfs/dbraw/zinc/33/75/86/1022337586.db2.gz QEQDPQWKVPCQDM-VQIMIIECSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000155410907 1022398083 /nfs/dbraw/zinc/39/80/83/1022398083.db2.gz PCDAGCKXGMWGBV-JKIFEVAISA-N 2 0 306.881 3.690 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000671098975 1022440975 /nfs/dbraw/zinc/44/09/75/1022440975.db2.gz ZABYKGYFBAQXNX-SJORKVTESA-N 2 0 318.505 3.822 20 0 DHADRP Cc1ccc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000156263867 1022451538 /nfs/dbraw/zinc/45/15/38/1022451538.db2.gz UVJNBDWPTJVYNI-UHFFFAOYSA-N 2 0 316.489 3.761 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1(Cl)CC1 ZINC000695683523 1022471972 /nfs/dbraw/zinc/47/19/72/1022471972.db2.gz BUACVHIDHZYMIO-BFYDXBDKSA-N 2 0 306.881 3.647 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)C1CC[NH+](C)CC1 ZINC000396457555 1022475180 /nfs/dbraw/zinc/47/51/80/1022475180.db2.gz NYLGZFYORIPGDK-MLGOLLRUSA-N 2 0 308.466 3.683 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272264901 1022498074 /nfs/dbraw/zinc/49/80/74/1022498074.db2.gz XPKJODRPGWZRBU-QKLQHJQFSA-N 2 0 309.457 3.643 20 0 DHADRP Cc1csc(CCCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925567824 1022534296 /nfs/dbraw/zinc/53/42/96/1022534296.db2.gz QFECUYPFYGZOKX-SJORKVTESA-N 2 0 321.534 3.532 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)C(C)C ZINC000364001506 1022564020 /nfs/dbraw/zinc/56/40/20/1022564020.db2.gz LOSGDUXLVHJFJS-MSOLQXFVSA-N 2 0 320.525 3.545 20 0 DHADRP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206023622 1022570500 /nfs/dbraw/zinc/57/05/00/1022570500.db2.gz FXTQWMOFMVGHSR-QWHCGFSZSA-N 2 0 312.910 3.869 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000157910485 1022586435 /nfs/dbraw/zinc/58/64/35/1022586435.db2.gz NUMNGAUHBLHQKE-HOTGVXAUSA-N 2 0 318.461 3.578 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1OC ZINC000158124381 1022604651 /nfs/dbraw/zinc/60/46/51/1022604651.db2.gz BJQMHVIENMWCLG-CZUORRHYSA-N 2 0 310.869 3.731 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(F)c1 ZINC001172246148 1033067254 /nfs/dbraw/zinc/06/72/54/1033067254.db2.gz GFOLZTKIZAAMEF-LJQANCHMSA-N 2 0 322.468 3.757 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000158184950 1022611100 /nfs/dbraw/zinc/61/11/00/1022611100.db2.gz ASMYDWJIFJTHFH-WQGACYEGSA-N 2 0 315.288 3.854 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(Cl)c2)CC1 ZINC001172248092 1033067506 /nfs/dbraw/zinc/06/75/06/1033067506.db2.gz XBIRZGFQEPSKOR-HNNXBMFYSA-N 2 0 324.896 3.800 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC)C1CCOCC1 ZINC000584695438 1022632231 /nfs/dbraw/zinc/63/22/31/1022632231.db2.gz CZSJXNNLSUJHMG-CEXWTWQISA-N 2 0 310.526 3.682 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCSc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158564050 1022643695 /nfs/dbraw/zinc/64/36/95/1022643695.db2.gz KVNJUKOVUPEOPN-YOEHRIQHSA-N 2 0 324.921 3.848 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000538447025 1033070246 /nfs/dbraw/zinc/07/02/46/1033070246.db2.gz TXQRZAHYZQTBPN-UHFFFAOYSA-N 2 0 316.832 3.952 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000158967291 1022678307 /nfs/dbraw/zinc/67/83/07/1022678307.db2.gz AZVUNEUQNCNJIE-XYJFISCASA-N 2 0 306.519 3.547 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCC2)CC[N@@H+]1C ZINC000158982533 1022679465 /nfs/dbraw/zinc/67/94/65/1022679465.db2.gz VOYSOXGLRGCBAT-YOEHRIQHSA-N 2 0 306.881 3.834 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)Cn1ccc(=S)c2ccccc21 ZINC000068619164 1022705381 /nfs/dbraw/zinc/70/53/81/1022705381.db2.gz WVAZYJQETAGCOA-UHFFFAOYSA-N 2 0 315.486 3.602 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CC1(F)F ZINC000621377798 1022731021 /nfs/dbraw/zinc/73/10/21/1022731021.db2.gz GPZFJBBKISAECW-INIZCTEOSA-N 2 0 310.432 3.780 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180481813 1022743628 /nfs/dbraw/zinc/74/36/28/1022743628.db2.gz LDCKWWAMWQDURZ-UHFFFAOYSA-N 2 0 310.869 3.599 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000876499195 1033077442 /nfs/dbraw/zinc/07/74/42/1033077442.db2.gz BEVIDAGGQLARNP-INIZCTEOSA-N 2 0 321.896 3.822 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000876499178 1033077774 /nfs/dbraw/zinc/07/77/74/1033077774.db2.gz AUAKEKQXIOFCTG-UUCFBXCCSA-N 2 0 307.869 3.575 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000621733228 1022843401 /nfs/dbraw/zinc/84/34/01/1022843401.db2.gz FWQPRUFJPNQZHE-USXIJHARSA-N 2 0 308.416 3.532 20 0 DHADRP C[NH+]1CCC(CC[N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001207485262 1022845201 /nfs/dbraw/zinc/84/52/01/1022845201.db2.gz VXBKAQFLMSRATM-GOSISDBHSA-N 2 0 304.503 3.508 20 0 DHADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000768087021 1022877528 /nfs/dbraw/zinc/87/75/28/1022877528.db2.gz LHCHLMIALRIECY-QGZVFWFLSA-N 2 0 304.478 3.640 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000227495350 1022894998 /nfs/dbraw/zinc/89/49/98/1022894998.db2.gz ISHXHRLABCOSHO-HNNXBMFYSA-N 2 0 308.466 3.684 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000414926237 1022920915 /nfs/dbraw/zinc/92/09/15/1022920915.db2.gz NBFVELXTATWWBO-ZIAGYGMSSA-N 2 0 320.383 3.801 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000768225276 1022928305 /nfs/dbraw/zinc/92/83/05/1022928305.db2.gz YXRSIZWGNNZBAO-IPJUCJBFSA-N 2 0 301.478 3.838 20 0 DHADRP C[NH+]1CCC(CC[NH+]2CCC(c3ccc(F)cc3F)CC2)CC1 ZINC001207488893 1022934069 /nfs/dbraw/zinc/93/40/69/1022934069.db2.gz RYKBNEHAAIBJAC-UHFFFAOYSA-N 2 0 322.443 3.876 20 0 DHADRP Cc1ccc(CC(C)(C)[NH2+]Cc2ncc(CN(C)C)s2)cc1 ZINC000418099034 1022951970 /nfs/dbraw/zinc/95/19/70/1022951970.db2.gz BDMCRPXGCYYJMT-UHFFFAOYSA-N 2 0 317.502 3.624 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000165338002 1022979099 /nfs/dbraw/zinc/97/90/99/1022979099.db2.gz VWNGQQAMWKZPHU-IEBWSBKVSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295898692 1023001746 /nfs/dbraw/zinc/00/17/46/1023001746.db2.gz IHQRBHZNJHLHON-MIGBEJBISA-N 2 0 302.462 3.750 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CC(C(F)F)C1 ZINC000768694385 1023008806 /nfs/dbraw/zinc/00/88/06/1023008806.db2.gz AZPSVWKYRLTMDD-JCAIJIATSA-N 2 0 322.443 3.776 20 0 DHADRP FC(F)C1CC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000768686687 1023012692 /nfs/dbraw/zinc/01/26/92/1023012692.db2.gz OBLAOJFWJFIPGO-GPANFISMSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000768690927 1023013873 /nfs/dbraw/zinc/01/38/73/1023013873.db2.gz YIOBNAFVEXSTBD-KRWDZBQOSA-N 2 0 312.457 3.695 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000166782197 1023023327 /nfs/dbraw/zinc/02/33/27/1023023327.db2.gz MRWHOCCYYCXNNG-FFGOWVMKSA-N 2 0 316.489 3.617 20 0 DHADRP Cc1ccc(C[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000298569674 1023033307 /nfs/dbraw/zinc/03/33/07/1023033307.db2.gz WWGIJTCELHOYMW-AWEZNQCLSA-N 2 0 315.486 3.641 20 0 DHADRP Cc1ccccc1C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298437912 1023033828 /nfs/dbraw/zinc/03/38/28/1023033828.db2.gz NIZJRBHWVHJHID-QGZVFWFLSA-N 2 0 309.457 3.580 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001167754593 1023049209 /nfs/dbraw/zinc/04/92/09/1023049209.db2.gz ZNBOCBAHTAAADG-VQIMIIECSA-N 2 0 301.478 3.788 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc([C@@H]2CC[NH+](C)C2)cc1 ZINC001167755006 1023054511 /nfs/dbraw/zinc/05/45/11/1023054511.db2.gz YHILOEBDJFZSEH-PKOBYXMFSA-N 2 0 315.505 3.782 20 0 DHADRP Fc1ccc(CCCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000249880122 1023064311 /nfs/dbraw/zinc/06/43/11/1023064311.db2.gz HMQTVDLPGQIGRW-MOPGFXCFSA-N 2 0 304.453 3.755 20 0 DHADRP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652063211 1023112333 /nfs/dbraw/zinc/11/23/33/1023112333.db2.gz GMRJXYALYYQCLW-SFHVURJKSA-N 2 0 322.443 3.876 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C[C@H]1C ZINC001172372795 1033106018 /nfs/dbraw/zinc/10/60/18/1033106018.db2.gz IZZWFZOVYPCYBF-BDXSIMOUSA-N 2 0 322.537 3.823 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000769329266 1023125176 /nfs/dbraw/zinc/12/51/76/1023125176.db2.gz KQHXQWSMJASXDZ-VQTJNVASSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000367683938 1023181682 /nfs/dbraw/zinc/18/16/82/1023181682.db2.gz DUDGGKMZTKLORH-RXABAKJHSA-N 2 0 316.514 3.523 20 0 DHADRP CCOc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000093688298 1023238712 /nfs/dbraw/zinc/23/87/12/1023238712.db2.gz ILNOEEJSHFHKJL-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCCCCCO)CC1 ZINC000178391497 1023278424 /nfs/dbraw/zinc/27/84/24/1023278424.db2.gz LAYGPYRIYWQETD-IBGZPJMESA-N 2 0 324.553 3.906 20 0 DHADRP CC[N@H+](CCc1cccs1)Cc1ccc(-n2ccnc2)cc1 ZINC000337653587 1033120933 /nfs/dbraw/zinc/12/09/33/1033120933.db2.gz GEJKZERLQVCGSS-UHFFFAOYSA-N 2 0 311.454 3.998 20 0 DHADRP COc1ccc(C(C)C)cc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662372 1023368725 /nfs/dbraw/zinc/36/87/25/1023368725.db2.gz JBZGWVGBDNDYOF-FQEVSTJZSA-N 2 0 316.489 3.736 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172349354 1033130287 /nfs/dbraw/zinc/13/02/87/1033130287.db2.gz LSLBVAYNZYGXLP-FHWLQOOXSA-N 2 0 322.537 3.990 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925720465 1023425380 /nfs/dbraw/zinc/42/53/80/1023425380.db2.gz SWNITZPEJIEHSV-FJIDUMEYSA-N 2 0 310.526 3.856 20 0 DHADRP c1c2cnccc2oc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000651670054 1023437798 /nfs/dbraw/zinc/43/77/98/1023437798.db2.gz SKOZTMBXHGQOHP-UHFFFAOYSA-N 2 0 321.424 3.713 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925722516 1023486104 /nfs/dbraw/zinc/48/61/04/1023486104.db2.gz LRKAQHCZQUMDGD-FQEVSTJZSA-N 3 0 317.521 3.567 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)N(c1cc[nH+]cc1C)C1CC[NH2+]CC1 ZINC001172360932 1033139708 /nfs/dbraw/zinc/13/97/08/1033139708.db2.gz LIOAAJOISHFRBY-DLBZAZTESA-N 2 0 319.493 3.542 20 0 DHADRP C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cscn1 ZINC000661413234 1023592918 /nfs/dbraw/zinc/59/29/18/1023592918.db2.gz BZERRMSSVXKMFN-OAHLLOKOSA-N 2 0 315.486 3.980 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1)C1CCCCC1 ZINC000651909910 1023631464 /nfs/dbraw/zinc/63/14/64/1023631464.db2.gz ABSPXMJDPWPHSJ-MJGOQNOKSA-N 2 0 310.526 3.824 20 0 DHADRP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000662927288 1023684993 /nfs/dbraw/zinc/68/49/93/1023684993.db2.gz OOBUZAKLYIJICO-UHFFFAOYSA-N 2 0 316.489 3.673 20 0 DHADRP C[C@H](CC[N@@H+]1CCC[C@H](CCF)C1)[NH+]1CCC[C@H](CCF)C1 ZINC000661690253 1023687188 /nfs/dbraw/zinc/68/71/88/1023687188.db2.gz KTKWRGRNJNWMNB-KZNAEPCWSA-N 2 0 316.480 3.908 20 0 DHADRP CC[C@@H]([NH2+]CCC[N@H+](CC)C1CCCCC1)C1CCOCC1 ZINC000652237682 1023707713 /nfs/dbraw/zinc/70/77/13/1023707713.db2.gz ZQJCXWOIXHUWRN-LJQANCHMSA-N 2 0 310.526 3.826 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000652222027 1023708045 /nfs/dbraw/zinc/70/80/45/1023708045.db2.gz CYGOLXNFVHBRDZ-ICSRJNTNSA-N 2 0 318.505 3.722 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001170070059 1023765780 /nfs/dbraw/zinc/76/57/80/1023765780.db2.gz BNOGUWFVDAKVSV-KRWDZBQOSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347937 1023806944 /nfs/dbraw/zinc/80/69/44/1023806944.db2.gz PNZQOEDICSLUFG-LDDOYCOJSA-N 2 0 322.880 3.619 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc3ccccc32)C1 ZINC000652360690 1023816786 /nfs/dbraw/zinc/81/67/86/1023816786.db2.gz OBQUQNLPRZGXKW-NRSPTQNISA-N 2 0 324.468 3.701 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cs2)cs1 ZINC000925742532 1023852790 /nfs/dbraw/zinc/85/27/90/1023852790.db2.gz VTGUIAFEPAFDLN-SNVBAGLBSA-N 2 0 309.504 3.958 20 0 DHADRP C[NH+]1CCC(C[NH+]2CCC(c3c[nH]c4ccccc34)CC2)CC1 ZINC000788471588 1023890275 /nfs/dbraw/zinc/89/02/75/1023890275.db2.gz XYXOOHJGYSQJDX-UHFFFAOYSA-N 2 0 311.473 3.689 20 0 DHADRP CCc1oc2ccccc2c1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245745601 1023893340 /nfs/dbraw/zinc/89/33/40/1023893340.db2.gz MOWOUIQXKLOBJY-LSDHHAIUSA-N 2 0 300.446 3.910 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000252952282 1023930955 /nfs/dbraw/zinc/93/09/55/1023930955.db2.gz NJEJUAPDWWIVTB-KGLIPLIRSA-N 2 0 310.869 3.817 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001172434892 1033176216 /nfs/dbraw/zinc/17/62/16/1033176216.db2.gz VQDHZVGIOVBZKO-UYAOXDASSA-N 2 0 318.505 3.692 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000193866607 1023978387 /nfs/dbraw/zinc/97/83/87/1023978387.db2.gz FYDHBVMHTHWIHD-HXUWFJFHSA-N 2 0 314.473 3.523 20 0 DHADRP C=Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)cn1 ZINC000194293347 1023995223 /nfs/dbraw/zinc/99/52/23/1023995223.db2.gz HZXNJAITZHJJLK-UHFFFAOYSA-N 2 0 324.472 3.505 20 0 DHADRP CCC1([NH3+])CCN([C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000925759219 1024008795 /nfs/dbraw/zinc/00/87/95/1024008795.db2.gz LUOAQUQXLIUYMJ-ZDUSSCGKSA-N 2 0 312.404 3.861 20 0 DHADRP c1ccc([C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CCC2)cc1 ZINC000662257487 1024034763 /nfs/dbraw/zinc/03/47/63/1024034763.db2.gz DAWAIHCDVDYGSB-OAQYLSRUSA-N 2 0 306.453 3.963 20 0 DHADRP c1ccc2c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccnc2c1 ZINC000538798180 1033184824 /nfs/dbraw/zinc/18/48/24/1033184824.db2.gz QZXXDDKZQRGMGA-DYESRHJHSA-N 2 0 321.468 3.684 20 0 DHADRP C[C@H](c1c(F)cccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290973 1024072345 /nfs/dbraw/zinc/07/23/45/1024072345.db2.gz ARKJVAFMZIBCNO-UKRRQHHQSA-N 2 0 308.416 3.737 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2ccccc2n1 ZINC000662293781 1024074808 /nfs/dbraw/zinc/07/48/08/1024074808.db2.gz NSPQXNWZIFPWTD-SFHVURJKSA-N 2 0 323.484 3.755 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H]2CCCC23CCCCC3)cc1 ZINC000662294928 1024079067 /nfs/dbraw/zinc/07/90/67/1024079067.db2.gz HKLASGIVMGNGMX-PKOBYXMFSA-N 2 0 316.489 3.830 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)o3)CC[C@H]21 ZINC000538797942 1033182559 /nfs/dbraw/zinc/18/25/59/1033182559.db2.gz GKXRVBPAJQJWKU-IEBWSBKVSA-N 2 0 310.441 3.863 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000662317057 1024107790 /nfs/dbraw/zinc/10/77/90/1024107790.db2.gz YZWOYSJDASTZAD-CZUORRHYSA-N 2 0 312.404 3.627 20 0 DHADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662325121 1024108279 /nfs/dbraw/zinc/10/82/79/1024108279.db2.gz IILWBYDLQJUJFE-MOPGFXCFSA-N 2 0 318.505 3.715 20 0 DHADRP CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cn1 ZINC000268714861 1024146054 /nfs/dbraw/zinc/14/60/54/1024146054.db2.gz LWHNIWINMCGIIR-HUUCEWRRSA-N 2 0 309.417 3.501 20 0 DHADRP Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268756411 1024152850 /nfs/dbraw/zinc/15/28/50/1024152850.db2.gz JQLRXQBVCJCBDG-HXUWFJFHSA-N 2 0 321.399 3.848 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268759013 1024153976 /nfs/dbraw/zinc/15/39/76/1024153976.db2.gz ZMFPUXNMOHBAKN-JKSUJKDBSA-N 2 0 304.478 3.878 20 0 DHADRP COc1ccsc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000268800210 1024162986 /nfs/dbraw/zinc/16/29/86/1024162986.db2.gz POWCKBVDQDKXTF-UHFFFAOYSA-N 2 0 318.486 3.887 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc21 ZINC000663344094 1024167658 /nfs/dbraw/zinc/16/76/58/1024167658.db2.gz NWWWJGDZEUGUAA-QGZVFWFLSA-N 2 0 311.473 3.688 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000268825469 1024171693 /nfs/dbraw/zinc/17/16/93/1024171693.db2.gz IYGIBAUEDLDZPL-IOASZLSFSA-N 2 0 314.395 3.566 20 0 DHADRP CC(C)Cc1ncc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663345059 1024176120 /nfs/dbraw/zinc/17/61/20/1024176120.db2.gz GKJVIGORKMOPMD-INIZCTEOSA-N 2 0 321.534 3.553 20 0 DHADRP Cc1nccn1CC[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000268847597 1024176663 /nfs/dbraw/zinc/17/66/63/1024176663.db2.gz XLMLXWXTIYTTMV-LLVKDONJSA-N 2 0 311.401 3.857 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCSCC1 ZINC000268859512 1024182573 /nfs/dbraw/zinc/18/25/73/1024182573.db2.gz FMAJNDJJNNJFHZ-VQIMIIECSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@@]1(F)CC[N@H+](Cc2ccc(C[NH+]3CC[C@](C)(F)C3)cc2)C1 ZINC000347360627 1024190774 /nfs/dbraw/zinc/19/07/74/1024190774.db2.gz VLTPDWLWVXKTQI-HDICACEKSA-N 2 0 308.416 3.554 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000790048183 1024213931 /nfs/dbraw/zinc/21/39/31/1024213931.db2.gz GWFFGJMJDUFPGP-LJQANCHMSA-N 2 0 300.490 3.818 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268999787 1024215647 /nfs/dbraw/zinc/21/56/47/1024215647.db2.gz LIKASPUGOCZMKC-GOSISDBHSA-N 2 0 304.865 3.934 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1OC(F)F ZINC000269020465 1024222957 /nfs/dbraw/zinc/22/29/57/1024222957.db2.gz PNNLOMJYKPAAMA-AWEZNQCLSA-N 2 0 300.393 3.671 20 0 DHADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCN(C)C1CCCCC1 ZINC000876984185 1033196976 /nfs/dbraw/zinc/19/69/76/1033196976.db2.gz CTTSTMIEOGCRRS-BTYIYWSLSA-N 2 0 318.442 3.564 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC[P@](C)(=O)OCC)CC1 ZINC000876976067 1033197511 /nfs/dbraw/zinc/19/75/11/1033197511.db2.gz MTBQUCIRXGZOKC-QVKFZJNVSA-N 2 0 318.442 3.564 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883164024 1024263829 /nfs/dbraw/zinc/26/38/29/1024263829.db2.gz SHQZNIWQYXKMHH-LJQANCHMSA-N 2 0 322.468 3.615 20 0 DHADRP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883207162 1024287198 /nfs/dbraw/zinc/28/71/98/1024287198.db2.gz HHUDRBMIGWCMRD-QFBILLFUSA-N 2 0 313.489 3.919 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccncc1 ZINC000453067887 1024299408 /nfs/dbraw/zinc/29/94/08/1024299408.db2.gz JQIMHBRCDZVPAG-HXUWFJFHSA-N 2 0 309.457 3.918 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172439947 1033201202 /nfs/dbraw/zinc/20/12/02/1033201202.db2.gz HFLAAPRFCYKASG-ZWKOTPCHSA-N 2 0 308.510 3.600 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168359645 1033202141 /nfs/dbraw/zinc/20/21/41/1033202141.db2.gz DIMYDKFTGRNLPE-GOSISDBHSA-N 2 0 304.865 3.791 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2sccc21 ZINC000453108578 1024336759 /nfs/dbraw/zinc/33/67/59/1024336759.db2.gz LARYABBGKSFIOL-BFYDXBDKSA-N 2 0 322.518 3.513 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453106911 1024336847 /nfs/dbraw/zinc/33/68/47/1024336847.db2.gz JQZHKQFAYMIENA-KRWDZBQOSA-N 2 0 303.494 3.504 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453106912 1024337389 /nfs/dbraw/zinc/33/73/89/1024337389.db2.gz JQZHKQFAYMIENA-QGZVFWFLSA-N 2 0 303.494 3.504 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453113633 1024340857 /nfs/dbraw/zinc/34/08/57/1024340857.db2.gz UVFGXKYIOLKWAZ-KRWDZBQOSA-N 2 0 300.490 3.644 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccsc2)[C@H](C)C1 ZINC000453127128 1024357067 /nfs/dbraw/zinc/35/70/67/1024357067.db2.gz QWUFJRVLKUJHBH-NJAFHUGGSA-N 2 0 324.534 3.926 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000453192166 1024393582 /nfs/dbraw/zinc/39/35/82/1024393582.db2.gz JAMCSUJVBZDWLB-ROUUACIJSA-N 2 0 303.494 3.647 20 0 DHADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccncc1 ZINC000453194140 1024393996 /nfs/dbraw/zinc/39/39/96/1024393996.db2.gz GOPYNGNWHGFGEA-AYBZRNKSSA-N 2 0 301.478 3.775 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000453200266 1024397539 /nfs/dbraw/zinc/39/75/39/1024397539.db2.gz AMECTNMLRUEOSU-KRWDZBQOSA-N 2 0 303.494 3.504 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCC4(CCC4)O3)CC2)C1 ZINC000883356652 1024401387 /nfs/dbraw/zinc/40/13/87/1024401387.db2.gz RVXAOJIGDMZYPC-BHIYHBOVSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC4(CCC4)O3)CC2)C1 ZINC000883356654 1024402256 /nfs/dbraw/zinc/40/22/56/1024402256.db2.gz RVXAOJIGDMZYPC-NZSAHSFTSA-N 2 0 320.521 3.721 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000663467996 1024405654 /nfs/dbraw/zinc/40/56/54/1024405654.db2.gz JNVHNSOYENFWCY-FXAWDEMLSA-N 2 0 316.489 3.858 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663466877 1024407903 /nfs/dbraw/zinc/40/79/03/1024407903.db2.gz AVQBYZRRVBNCSY-DNVCBOLYSA-N 2 0 302.437 3.525 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883378985 1024410930 /nfs/dbraw/zinc/41/09/30/1024410930.db2.gz HYSCNTJDSBJXMR-APWZRJJASA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC4(COC4)CC3)CC2)C1 ZINC000883379286 1024411151 /nfs/dbraw/zinc/41/11/51/1024411151.db2.gz VOHUANTVTAMQMO-QFBILLFUSA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172454723 1033209520 /nfs/dbraw/zinc/20/95/20/1033209520.db2.gz BSFGFTFABJRTPI-HKUYNNGSSA-N 2 0 306.494 3.720 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453247868 1024425882 /nfs/dbraw/zinc/42/58/82/1024425882.db2.gz WQOFMZUKPAVLFO-AITUJVMLSA-N 2 0 304.453 3.767 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000663476609 1024438545 /nfs/dbraw/zinc/43/85/45/1024438545.db2.gz HDCOGNFDEDACEY-MAUKXSAKSA-N 2 0 306.469 3.956 20 0 DHADRP Cc1csc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000453328246 1024448780 /nfs/dbraw/zinc/44/87/80/1024448780.db2.gz WSBNRHYRZSNCRD-HNNXBMFYSA-N 2 0 318.486 3.848 20 0 DHADRP CC[C@H](O)[C@H](CC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453358164 1024481176 /nfs/dbraw/zinc/48/11/76/1024481176.db2.gz JYUVDILTEQLWQD-GUMHCPJTSA-N 2 0 318.505 3.569 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000453358475 1024481335 /nfs/dbraw/zinc/48/13/35/1024481335.db2.gz OETYGNSTJLRXEA-AFYVEPGGSA-N 2 0 300.490 3.890 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000453361134 1024487621 /nfs/dbraw/zinc/48/76/21/1024487621.db2.gz QQFDGBCQBZNQRG-BWMCOSIFSA-N 2 0 314.473 3.632 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453366661 1024489296 /nfs/dbraw/zinc/48/92/96/1024489296.db2.gz MEHZVMXVRLEJMY-YZGWKJHDSA-N 2 0 320.521 3.532 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001167825558 1024491401 /nfs/dbraw/zinc/49/14/01/1024491401.db2.gz KAAOGNLKFQVCOJ-UXHICEINSA-N 2 0 323.569 3.837 20 0 DHADRP c1cnc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271394115 1024496574 /nfs/dbraw/zinc/49/65/74/1024496574.db2.gz UNRVQLPSVPVPRV-NQIIRXRSSA-N 2 0 321.468 3.684 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C(C)C)cc1 ZINC000453399812 1024497980 /nfs/dbraw/zinc/49/79/80/1024497980.db2.gz LOHFMRUDSWKCCT-IBGZPJMESA-N 2 0 304.478 3.856 20 0 DHADRP CCC(C)(C)OCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453418352 1024510825 /nfs/dbraw/zinc/51/08/25/1024510825.db2.gz WIUPBUHLKHNMEL-IEBWSBKVSA-N 2 0 318.505 3.692 20 0 DHADRP Cc1ccc([C@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCCC2)o1 ZINC000663523341 1024516072 /nfs/dbraw/zinc/51/60/72/1024516072.db2.gz IYMQVEACVFMDAD-INIZCTEOSA-N 2 0 310.401 3.713 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccc(Br)c21 ZINC000643521530 1024517767 /nfs/dbraw/zinc/51/77/67/1024517767.db2.gz OKNQVIRBBGPBFS-TYNCELHUSA-N 2 0 323.278 3.729 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001167827863 1024517916 /nfs/dbraw/zinc/51/79/16/1024517916.db2.gz YRFFALLHVUKXPK-GOSISDBHSA-N 3 0 323.569 3.551 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102424926 1024534538 /nfs/dbraw/zinc/53/45/38/1024534538.db2.gz FDIYPXLTUUUEDO-UHFFFAOYSA-N 2 0 302.462 3.564 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000643534001 1024539375 /nfs/dbraw/zinc/53/93/75/1024539375.db2.gz JGGFSVUKXQHRLF-GJZGRUSLSA-N 2 0 323.278 3.632 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172467277 1033219041 /nfs/dbraw/zinc/21/90/41/1033219041.db2.gz LOXBWOBCAJZEEX-RBUKOAKNSA-N 2 0 322.537 3.848 20 0 DHADRP CC[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](CC)C1)C1CCOCC1 ZINC000532224837 1024580637 /nfs/dbraw/zinc/58/06/37/1024580637.db2.gz AWOZZLNYFNOCEE-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1ccc(C[N@H+](Cc2ccc(-n3ccnc3)cc2)C2CC2)o1 ZINC000585748527 1024591749 /nfs/dbraw/zinc/59/17/49/1024591749.db2.gz WIZSNEMWXYDWME-UHFFFAOYSA-N 2 0 307.397 3.938 20 0 DHADRP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc[nH+]1 ZINC000390899552 1024620629 /nfs/dbraw/zinc/62/06/29/1024620629.db2.gz VCAGXHNTYNZPQG-LJQANCHMSA-N 2 0 309.457 3.525 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001167840712 1024649217 /nfs/dbraw/zinc/64/92/17/1024649217.db2.gz HSPHLGZUHSIWOH-MJGOQNOKSA-N 2 0 318.505 3.995 20 0 DHADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000432419197 1024666712 /nfs/dbraw/zinc/66/67/12/1024666712.db2.gz ZVIVDRAMAWHXBG-RDJZCZTQSA-N 2 0 310.507 3.680 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000666083585 1024676167 /nfs/dbraw/zinc/67/61/67/1024676167.db2.gz ZNMNATHEPCQRJN-KRWDZBQOSA-N 2 0 318.892 3.661 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(C4CCC4)s3)C2)CC1 ZINC000349127033 1024678969 /nfs/dbraw/zinc/67/89/69/1024678969.db2.gz HPQPAAYWLSMPMU-MRXNPFEDSA-N 2 0 319.518 3.574 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001170174889 1024679662 /nfs/dbraw/zinc/67/96/62/1024679662.db2.gz FXDDHZDDCBVQJF-HKUYNNGSSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001170174891 1024680050 /nfs/dbraw/zinc/68/00/50/1024680050.db2.gz FXDDHZDDCBVQJF-MJGOQNOKSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160946 1024681336 /nfs/dbraw/zinc/68/13/36/1024681336.db2.gz UONUJLCAYAQFPN-WDEREUQCSA-N 2 0 316.276 3.568 20 0 DHADRP CC[C@@H]1C[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190870 1024687428 /nfs/dbraw/zinc/68/74/28/1024687428.db2.gz FZOAPVKEZVMXGR-CADBVGFASA-N 2 0 308.510 3.706 20 0 DHADRP C[N@H+](C1CC1)C1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC001207597834 1024708918 /nfs/dbraw/zinc/70/89/18/1024708918.db2.gz SBOZGTICORFJEU-UHFFFAOYSA-N 2 0 306.881 3.831 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000102535315 1024730892 /nfs/dbraw/zinc/73/08/92/1024730892.db2.gz YLNDQPXITANTCS-LJQANCHMSA-N 2 0 304.478 3.856 20 0 DHADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354662 1024780143 /nfs/dbraw/zinc/78/01/43/1024780143.db2.gz FNYLEGMMMNZVSD-IBGZPJMESA-N 2 0 320.427 3.664 20 0 DHADRP CCc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000350313456 1024805896 /nfs/dbraw/zinc/80/58/96/1024805896.db2.gz GXUAFFLJKWBNBG-UHFFFAOYSA-N 2 0 313.445 3.585 20 0 DHADRP Cc1[nH+]ccc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1Cl ZINC000350344213 1024807253 /nfs/dbraw/zinc/80/72/53/1024807253.db2.gz YLLWGASFAGPIOP-VNHYZAJKSA-N 2 0 307.869 3.885 20 0 DHADRP Cc1ncccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350552797 1024827862 /nfs/dbraw/zinc/82/78/62/1024827862.db2.gz GBZAOUCOGKBRII-NHCUHLMSSA-N 2 0 323.484 3.562 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648461139 1024836869 /nfs/dbraw/zinc/83/68/69/1024836869.db2.gz PLAMPVASZIVACL-UHFFFAOYSA-N 2 0 321.852 3.693 20 0 DHADRP Cc1ccc(CCC[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000792999023 1024860468 /nfs/dbraw/zinc/86/04/68/1024860468.db2.gz APAJTQZWPGJHTG-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000162841749 1024901185 /nfs/dbraw/zinc/90/11/85/1024901185.db2.gz KMUPFGKPIIVQSE-LZWOXQAQSA-N 2 0 310.507 3.597 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]CC3(C)CCC3)cc2)C[C@H](C)O1 ZINC000434777047 1024960160 /nfs/dbraw/zinc/96/01/60/1024960160.db2.gz SOBPFONSODJTCL-CALCHBBNSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2n1 ZINC000187371049 1025003684 /nfs/dbraw/zinc/00/36/84/1025003684.db2.gz JELCJCPURXBDSX-IBGZPJMESA-N 2 0 323.484 3.851 20 0 DHADRP CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CCCCO1 ZINC000353321380 1025027338 /nfs/dbraw/zinc/02/73/38/1025027338.db2.gz PRWVOKBLLYSKMQ-IBGZPJMESA-N 2 0 313.445 3.653 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179936 1025039489 /nfs/dbraw/zinc/03/94/89/1025039489.db2.gz ODTNXHCWCVUVFE-TZIWHRDSSA-N 2 0 308.469 3.902 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CS1 ZINC000666417843 1025044375 /nfs/dbraw/zinc/04/43/75/1025044375.db2.gz VYZKORALGMREAA-MAUKXSAKSA-N 2 0 304.503 3.656 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000353409192 1025059892 /nfs/dbraw/zinc/05/98/92/1025059892.db2.gz VLJWFWGOEOHERT-SEEARECTSA-N 2 0 308.466 3.825 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000539051675 1033257830 /nfs/dbraw/zinc/25/78/30/1033257830.db2.gz AQZKJAURWMHDMM-BEFAXECRSA-N 2 0 304.453 3.771 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000353502456 1025090249 /nfs/dbraw/zinc/09/02/49/1025090249.db2.gz LKLYDFXFWPWXJF-WSTZPKSXSA-N 2 0 318.505 3.925 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353546846 1025119062 /nfs/dbraw/zinc/11/90/62/1025119062.db2.gz WWUQLHSTLVHVRC-KURKYZTESA-N 2 0 322.493 3.651 20 0 DHADRP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCCN1C ZINC001172568432 1033261551 /nfs/dbraw/zinc/26/15/51/1033261551.db2.gz QRFSEFKXYLVTRP-AAEUAGOBSA-N 2 0 316.823 3.623 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000925839451 1025196679 /nfs/dbraw/zinc/19/66/79/1025196679.db2.gz QZBVZFUVGWLDQH-ZJIFWQFVSA-N 2 0 308.416 3.531 20 0 DHADRP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400989527 1025222589 /nfs/dbraw/zinc/22/25/89/1025222589.db2.gz XIEGJWVZSVUADL-HWMZRRJGSA-N 2 0 302.462 3.579 20 0 DHADRP CCc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539073626 1033268206 /nfs/dbraw/zinc/26/82/06/1033268206.db2.gz NZXBOFSIRAGVOT-FGTMMUONSA-N 2 0 318.505 3.789 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)C1CCOCC1 ZINC000539072252 1033269192 /nfs/dbraw/zinc/26/91/92/1033269192.db2.gz OVXWWMNAXJJOJU-FQEVSTJZSA-N 2 0 318.505 3.822 20 0 DHADRP Clc1ccc2c(c1)nccc2NCCCCn1ccnc1 ZINC000045108316 1025259071 /nfs/dbraw/zinc/25/90/71/1025259071.db2.gz FUSUCNQDDOHNNN-UHFFFAOYSA-N 2 0 300.793 3.977 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000539071067 1033270051 /nfs/dbraw/zinc/27/00/51/1033270051.db2.gz MTCGPPUOFOFADK-OTWHNJEPSA-N 2 0 318.505 3.843 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000151548768 1025285856 /nfs/dbraw/zinc/28/58/56/1025285856.db2.gz WZDIQECKJDHYQV-NSHDSACASA-N 2 0 301.261 3.813 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000354045532 1025334601 /nfs/dbraw/zinc/33/46/01/1025334601.db2.gz VLHMGFMCRMLMLC-DHZHZOJOSA-N 2 0 316.489 3.523 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000124355556 1025335533 /nfs/dbraw/zinc/33/55/33/1025335533.db2.gz UXLUVRGVOUXACJ-HZPDHXFCSA-N 2 0 324.468 3.983 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000438101395 1025370300 /nfs/dbraw/zinc/37/03/00/1025370300.db2.gz AWZWPIDFELCWAU-UFYCRDLUSA-N 2 0 323.569 3.551 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(OC)c1 ZINC000123610821 1025392834 /nfs/dbraw/zinc/39/28/34/1025392834.db2.gz SPUQZZCBTLKPNO-HXUWFJFHSA-N 2 0 312.457 3.998 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875689 1025403410 /nfs/dbraw/zinc/40/34/10/1025403410.db2.gz MAJCFUQQLYMGIE-XPKDYRNWSA-N 2 0 315.486 3.897 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000925875693 1025403653 /nfs/dbraw/zinc/40/36/53/1025403653.db2.gz MESBBBYVACRRTI-WZRBSPASSA-N 2 0 300.418 3.779 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000925876107 1025405227 /nfs/dbraw/zinc/40/52/27/1025405227.db2.gz REWPPEVYLVZRLM-BZPMIXESSA-N 2 0 314.445 3.822 20 0 DHADRP c1ccc([C@@H]2CCC[C@@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001172543630 1033276532 /nfs/dbraw/zinc/27/65/32/1033276532.db2.gz HGSZOZMWJNVRHT-TZIWHRDSSA-N 2 0 321.468 3.930 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000885948792 1025414699 /nfs/dbraw/zinc/41/46/99/1025414699.db2.gz FPXYASCEFFDTDO-WOJBJXKFSA-N 2 0 318.505 3.964 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000885954385 1025416614 /nfs/dbraw/zinc/41/66/14/1025416614.db2.gz WPUVLBUSAPKYTP-UYAOXDASSA-N 2 0 322.537 3.968 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](OC)CC2)c1 ZINC000885969633 1025423466 /nfs/dbraw/zinc/42/34/66/1025423466.db2.gz YMZHXPSYCUHWEO-MOPGFXCFSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000925880840 1025427361 /nfs/dbraw/zinc/42/73/61/1025427361.db2.gz UZZLASQXAIWWBF-NFAWXSAZSA-N 2 0 301.459 3.588 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000886008571 1025436591 /nfs/dbraw/zinc/43/65/91/1025436591.db2.gz PWVHVGOZRFPRCM-LPHOPBHVSA-N 2 0 308.510 3.721 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000886012450 1025439080 /nfs/dbraw/zinc/43/90/80/1025439080.db2.gz ICHQTEMEAPDXBI-UGXKVIGPSA-N 2 0 308.510 3.721 20 0 DHADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000354588056 1025462156 /nfs/dbraw/zinc/46/21/56/1025462156.db2.gz UYVSNMYTQLVQPZ-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000125293599 1025465330 /nfs/dbraw/zinc/46/53/30/1025465330.db2.gz UGJRXTAWXITCCP-QGZVFWFLSA-N 2 0 322.880 3.875 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000125317573 1025467421 /nfs/dbraw/zinc/46/74/21/1025467421.db2.gz FAHMLBQAEVLYFY-QGZVFWFLSA-N 2 0 322.880 3.875 20 0 DHADRP C[NH+](C)CCOc1cccc(Nc2cccc(-n3ccnc3)c2)c1 ZINC001212807041 1025489484 /nfs/dbraw/zinc/48/94/84/1025489484.db2.gz HMWRXFWOOZFLLB-UHFFFAOYSA-N 2 0 322.412 3.556 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127044 1025520538 /nfs/dbraw/zinc/52/05/38/1025520538.db2.gz ACRYYAQMRREJQL-JENIJYKNSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924687651 1033293894 /nfs/dbraw/zinc/29/38/94/1033293894.db2.gz XPPPVTBDVGETMU-MBOZVWFJSA-N 2 0 322.537 3.539 20 0 DHADRP c1cnc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000886495124 1025651929 /nfs/dbraw/zinc/65/19/29/1025651929.db2.gz IOPJHYCYCPJCNG-HXUWFJFHSA-N 2 0 321.468 3.845 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCc3cccnc32)c1 ZINC000886506181 1025660836 /nfs/dbraw/zinc/66/08/36/1025660836.db2.gz FTZMKTCZNHCRRE-IBGZPJMESA-N 2 0 309.457 3.701 20 0 DHADRP C[C@H](O)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000886511072 1025665007 /nfs/dbraw/zinc/66/50/07/1025665007.db2.gz HRPZIFVUXXWHSD-DZIBYMRMSA-N 2 0 316.489 3.627 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886522121 1025674687 /nfs/dbraw/zinc/67/46/87/1025674687.db2.gz CUICVOWXSXIXOV-PPDQVPDSSA-N 2 0 316.489 3.710 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cs1 ZINC000886524506 1025677561 /nfs/dbraw/zinc/67/75/61/1025677561.db2.gz LQJBKUDWWAHRAF-BZOOQXSSSA-N 2 0 307.507 3.899 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H]2CCCO[C@H]21 ZINC000886532796 1025679829 /nfs/dbraw/zinc/67/98/29/1025679829.db2.gz PAPXTSBANJPCQT-SYJBPTKTSA-N 2 0 320.521 3.577 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCSCC(F)(F)F)CC1 ZINC000886560126 1025705973 /nfs/dbraw/zinc/70/59/73/1025705973.db2.gz OUEQKLXMXICFQP-UHFFFAOYSA-N 2 0 324.456 3.669 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc[nH]1 ZINC000886558972 1025707669 /nfs/dbraw/zinc/70/76/69/1025707669.db2.gz WXQDMEQMTASBDM-BVBHFADKSA-N 2 0 309.457 3.718 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000049553283 1025715874 /nfs/dbraw/zinc/71/58/74/1025715874.db2.gz HVQAQYHBXZHBNT-WFASDCNBSA-N 2 0 313.283 3.830 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000886588685 1025727813 /nfs/dbraw/zinc/72/78/13/1025727813.db2.gz XHDIHEBCYLMTGL-LSTDLKDCSA-N 2 0 308.510 3.577 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000886634477 1025751290 /nfs/dbraw/zinc/75/12/90/1025751290.db2.gz FPDQOOHASIXSDP-JLAWEPINSA-N 2 0 320.521 3.865 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000886635127 1025751962 /nfs/dbraw/zinc/75/19/62/1025751962.db2.gz WGILIAJNTKRISN-YBXZHIRMSA-N 2 0 308.510 3.721 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000886638258 1025755212 /nfs/dbraw/zinc/75/52/12/1025755212.db2.gz PCUZPMGQIJFWIX-NQKNOSNGSA-N 2 0 314.473 3.766 20 0 DHADRP Cc1ccnc(N)c1CNc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000894100936 1025770346 /nfs/dbraw/zinc/77/03/46/1025770346.db2.gz HDRPUVNSTLESHI-OAHLLOKOSA-N 2 0 324.472 3.816 20 0 DHADRP C[C@H]1C[NH+](CCCC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000575790261 1025791499 /nfs/dbraw/zinc/79/14/99/1025791499.db2.gz VVCJUALVBYAEQQ-KBPBESRZSA-N 2 0 324.406 3.721 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3(O)CCCCCC3)C2)CC1 ZINC001307440479 1025802323 /nfs/dbraw/zinc/80/23/23/1025802323.db2.gz NREDCGAGHFUPMS-IBGZPJMESA-N 2 0 322.537 3.516 20 0 DHADRP Cc1csc(C[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000886696056 1025808472 /nfs/dbraw/zinc/80/84/72/1025808472.db2.gz FSEOECHSSPDBJL-IRXDYDNUSA-N 2 0 321.534 3.580 20 0 DHADRP CC1(C)CO[C@@H](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886720216 1025829982 /nfs/dbraw/zinc/82/99/82/1025829982.db2.gz WXYVTHYRNJZWAS-HFCFLWKCSA-N 2 0 308.510 3.578 20 0 DHADRP COC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411276364 1025905235 /nfs/dbraw/zinc/90/52/35/1025905235.db2.gz ZXWGBLDSZSTMCS-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccnnc1 ZINC000924870545 1025908508 /nfs/dbraw/zinc/90/85/08/1025908508.db2.gz RPHMBHWJCUMYIV-QGZVFWFLSA-N 2 0 324.472 3.703 20 0 DHADRP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000663975159 1025914857 /nfs/dbraw/zinc/91/48/57/1025914857.db2.gz ZCAWZDXBGICWFY-INIZCTEOSA-N 2 0 320.440 3.521 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cc2c1 ZINC000411378403 1025975576 /nfs/dbraw/zinc/97/55/76/1025975576.db2.gz AIDPJQAVDVSEPL-INIZCTEOSA-N 2 0 306.413 3.646 20 0 DHADRP CC(C)SCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283148418 1026024170 /nfs/dbraw/zinc/02/41/70/1026024170.db2.gz OJRAVAWQRNFLNX-AEFFLSMTSA-N 2 0 306.519 3.628 20 0 DHADRP COc1cccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001167919130 1026093895 /nfs/dbraw/zinc/09/38/95/1026093895.db2.gz TWGLARNUDLBXIA-AKAMXIMMSA-N 2 0 314.473 3.566 20 0 DHADRP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647790133 1026126265 /nfs/dbraw/zinc/12/62/65/1026126265.db2.gz RYBZBABHIWFBJX-CUSZFKRNSA-N 2 0 302.462 3.514 20 0 DHADRP C[N@H+](CCCCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289713178 1026141686 /nfs/dbraw/zinc/14/16/86/1026141686.db2.gz PAEDKGDXBFUUAA-DFNIBXOVSA-N 2 0 316.489 3.793 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccs1 ZINC000122302532 1026179766 /nfs/dbraw/zinc/17/97/66/1026179766.db2.gz CBKWKMLZBPSMFX-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419341519 1026185574 /nfs/dbraw/zinc/18/55/74/1026185574.db2.gz YUWZBLZEFSQZFW-MOPGFXCFSA-N 2 0 323.569 3.549 20 0 DHADRP CCC[NH+]1CCC(Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC000154342104 1026274459 /nfs/dbraw/zinc/27/44/59/1026274459.db2.gz UPHPZBOHYWXIJM-UHFFFAOYSA-N 2 0 315.505 3.877 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571431461 1026280191 /nfs/dbraw/zinc/28/01/91/1026280191.db2.gz HJQVIVLJRWZRLZ-JKSUJKDBSA-N 2 0 321.534 3.840 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nccc2ccccc21 ZINC000894180845 1026330414 /nfs/dbraw/zinc/33/04/14/1026330414.db2.gz RSDFUPYGWXEJGA-KRWDZBQOSA-N 2 0 311.473 3.979 20 0 DHADRP CCCCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)(C)C ZINC000808674896 1026353951 /nfs/dbraw/zinc/35/39/51/1026353951.db2.gz QBKHUTRJNBTJCG-QGZVFWFLSA-N 2 0 311.558 3.597 20 0 DHADRP CCCCOc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204734698 1026434350 /nfs/dbraw/zinc/43/43/50/1026434350.db2.gz BSYXGAYNNCOCIM-UHFFFAOYSA-N 2 0 316.489 3.831 20 0 DHADRP c1ccc([C@@H]([NH2+]CCCC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000647802907 1026478210 /nfs/dbraw/zinc/47/82/10/1026478210.db2.gz XZPZSAWDNNGBGD-HXUWFJFHSA-N 2 0 309.457 3.540 20 0 DHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000513330884 1026479059 /nfs/dbraw/zinc/47/90/59/1026479059.db2.gz PGBDDIDFBSVMSV-IEBWSBKVSA-N 2 0 323.569 3.740 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000513335403 1026479996 /nfs/dbraw/zinc/47/99/96/1026479996.db2.gz OVNONIQQTPGVLJ-VDGAXYAQSA-N 2 0 322.537 3.824 20 0 DHADRP CCc1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000513367157 1026484491 /nfs/dbraw/zinc/48/44/91/1026484491.db2.gz OEIRRSZNBQJBEI-PMACEKPBSA-N 2 0 300.490 3.913 20 0 DHADRP Clc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCC2)c1 ZINC000647804506 1026487945 /nfs/dbraw/zinc/48/79/45/1026487945.db2.gz SNXLNWSCUBWXDI-JKIFEVAISA-N 2 0 304.865 3.697 20 0 DHADRP Cc1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)o1 ZINC000809703546 1026600044 /nfs/dbraw/zinc/60/00/44/1026600044.db2.gz MDVBXJZRGYDNPR-OAQYLSRUSA-N 2 0 324.468 3.994 20 0 DHADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000513691152 1026617837 /nfs/dbraw/zinc/61/78/37/1026617837.db2.gz RQYNMDBWTPDMHG-AQNXPRMDSA-N 2 0 316.489 3.651 20 0 DHADRP CCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001170590312 1026643235 /nfs/dbraw/zinc/64/32/35/1026643235.db2.gz HRUBKYZPMPJBHT-GUDVDZBRSA-N 2 0 310.526 3.968 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647883933 1026648485 /nfs/dbraw/zinc/64/84/85/1026648485.db2.gz LFQIEXPPTALWQO-XJKSGUPXSA-N 2 0 312.379 3.842 20 0 DHADRP CC1CCC(OC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)CC1 ZINC000647884542 1026660906 /nfs/dbraw/zinc/66/09/06/1026660906.db2.gz CHFYYKKEVBIDEQ-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000280724858 1026700534 /nfs/dbraw/zinc/70/05/34/1026700534.db2.gz CMDLXPZVIIBPGV-QRWLVFNGSA-N 2 0 323.484 3.928 20 0 DHADRP CC(C)CCc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420321023 1026804356 /nfs/dbraw/zinc/80/43/56/1026804356.db2.gz CDBNAIZHISJEOB-HZPDHXFCSA-N 2 0 321.534 3.553 20 0 DHADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329552 1026807128 /nfs/dbraw/zinc/80/71/28/1026807128.db2.gz OQTQBCBOJPFDAA-SUNYJGFJSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCc2cccnc21 ZINC000420378820 1026812169 /nfs/dbraw/zinc/81/21/69/1026812169.db2.gz UQELVDMQDSKSLN-LJQANCHMSA-N 2 0 315.505 3.807 20 0 DHADRP C[N@@H+](Cc1csc(-c2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000513742242 1026937065 /nfs/dbraw/zinc/93/70/65/1026937065.db2.gz VKYOOTADPLGUIF-UHFFFAOYSA-N 2 0 315.486 3.584 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(OC)c1OC ZINC000631640159 1026948017 /nfs/dbraw/zinc/94/80/17/1026948017.db2.gz XAQRDIXXMGWHAW-VMBOVVBDSA-N 2 0 320.477 3.617 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000421371142 1026968079 /nfs/dbraw/zinc/96/80/79/1026968079.db2.gz KDDMKHUGGKUJNR-CQJJOKNBSA-N 2 0 300.490 3.959 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000421377666 1026970282 /nfs/dbraw/zinc/97/02/82/1026970282.db2.gz HRHATPMTIUERFR-AITUJVMLSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000421380160 1026972740 /nfs/dbraw/zinc/97/27/40/1026972740.db2.gz LVCQQCYJHOWZMG-GHTZIAJQSA-N 2 0 323.484 3.699 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421841553 1027073397 /nfs/dbraw/zinc/07/33/97/1027073397.db2.gz KWTXKAATQNMHOT-SFHVURJKSA-N 2 0 322.468 3.853 20 0 DHADRP C[N@@H+]1CC[C@@H]2CN(Cc3nc(C4CCCCC4)cs3)C[C@@H]2C1 ZINC000931439275 1027122797 /nfs/dbraw/zinc/12/27/97/1027122797.db2.gz SRMBKXIOKUVUOQ-CVEARBPZSA-N 2 0 319.518 3.574 20 0 DHADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000271715032 1027125969 /nfs/dbraw/zinc/12/59/69/1027125969.db2.gz PAGZDVBVTXLIOV-LJQANCHMSA-N 2 0 302.437 3.810 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)Cc2c[nH]nc21 ZINC000931463382 1027132289 /nfs/dbraw/zinc/13/22/89/1027132289.db2.gz VEELZQKBKVAMJJ-INIZCTEOSA-N 2 0 324.472 3.515 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000271785230 1027147154 /nfs/dbraw/zinc/14/71/54/1027147154.db2.gz FIRRZZPOPBVIEA-UHFFFAOYSA-N 2 0 318.770 3.710 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000561976909 1027152459 /nfs/dbraw/zinc/15/24/59/1027152459.db2.gz WTMXJNOBFUYFAS-HUUCEWRRSA-N 2 0 310.432 3.606 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000571908213 1027157982 /nfs/dbraw/zinc/15/79/82/1027157982.db2.gz QCTUAUICAONEQR-IBGZPJMESA-N 2 0 302.462 3.516 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000572201068 1027183486 /nfs/dbraw/zinc/18/34/86/1027183486.db2.gz SSIFXKMUXZGNMJ-DOTOQJQBSA-N 2 0 322.468 3.778 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663429 1027190178 /nfs/dbraw/zinc/19/01/78/1027190178.db2.gz BCLIEKLAFINXDV-PBHICJAKSA-N 2 0 322.443 3.676 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000572546966 1027210629 /nfs/dbraw/zinc/21/06/29/1027210629.db2.gz UFNUVJYXYNNAAF-KBXCAEBGSA-N 2 0 306.881 3.593 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000572520027 1027211146 /nfs/dbraw/zinc/21/11/46/1027211146.db2.gz SZSFLGGWCZROJK-QGZVFWFLSA-N 2 0 320.452 3.533 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000572653380 1027219645 /nfs/dbraw/zinc/21/96/45/1027219645.db2.gz KERACKDKPXATLV-WMLDXEAASA-N 2 0 322.468 3.922 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000572676907 1027220612 /nfs/dbraw/zinc/22/06/12/1027220612.db2.gz PRNRGBVXMZTRJA-UHFFFAOYSA-N 2 0 310.526 3.776 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000562097208 1027232759 /nfs/dbraw/zinc/23/27/59/1027232759.db2.gz LGZJYMPPVHNUSL-AWEZNQCLSA-N 2 0 324.559 3.887 20 0 DHADRP CSC1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000562102943 1027234581 /nfs/dbraw/zinc/23/45/81/1027234581.db2.gz ISZZHQCNAMUIFD-ROUUACIJSA-N 2 0 318.530 3.740 20 0 DHADRP Fc1ccc(-c2ccc(CN3CCC4(CC[NH2+]4)CC3)s2)cc1 ZINC000422563359 1027285553 /nfs/dbraw/zinc/28/55/53/1027285553.db2.gz SRYDYQXKOBSROU-UHFFFAOYSA-N 2 0 316.445 3.882 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000422709498 1027296703 /nfs/dbraw/zinc/29/67/03/1027296703.db2.gz DQVBCQMQEVDNPX-ZBFHGGJFSA-N 2 0 310.507 3.592 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422710072 1027297083 /nfs/dbraw/zinc/29/70/83/1027297083.db2.gz KVWFVYGUUIGCOK-KZNAEPCWSA-N 2 0 304.453 3.614 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422720786 1027304396 /nfs/dbraw/zinc/30/43/96/1027304396.db2.gz MWDBGMDNCGIBQO-CJNGLKHVSA-N 2 0 314.395 3.616 20 0 DHADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422723248 1027305749 /nfs/dbraw/zinc/30/57/49/1027305749.db2.gz QOLSCBLYTUAPFS-TXPKVOOTSA-N 2 0 304.478 3.525 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724516 1027305792 /nfs/dbraw/zinc/30/57/92/1027305792.db2.gz VWSUUVNUDKXBPG-GOEBONIOSA-N 2 0 314.395 3.745 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1C ZINC000422724568 1027306683 /nfs/dbraw/zinc/30/66/83/1027306683.db2.gz WAWRFNOWDCSLQV-NZSAHSFTSA-N 2 0 311.473 3.795 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)cc1F ZINC000422759892 1027306723 /nfs/dbraw/zinc/30/67/23/1027306723.db2.gz KJVCIQCFHZTMMK-SGTLLEGYSA-N 2 0 319.399 3.929 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCOCCc2ccccc2)c2ccccc21 ZINC000422724285 1027307270 /nfs/dbraw/zinc/30/72/70/1027307270.db2.gz VGDGYSXSDXVPPO-RTWAWAEBSA-N 2 0 324.468 3.760 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422726751 1027307325 /nfs/dbraw/zinc/30/73/25/1027307325.db2.gz AIOGBLCNZWWHMZ-QGZVFWFLSA-N 2 0 312.457 3.873 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000422749009 1027309850 /nfs/dbraw/zinc/30/98/50/1027309850.db2.gz WZYMYBVNAWMPPK-NEPJUHHUSA-N 2 0 303.837 3.914 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741369 1027310969 /nfs/dbraw/zinc/31/09/69/1027310969.db2.gz DJBSSWIQPRFTER-LDQXTDLNSA-N 2 0 322.452 3.902 20 0 DHADRP CC[NH+]1CCC(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000573709276 1027318152 /nfs/dbraw/zinc/31/81/52/1027318152.db2.gz HCAWSUDRAFNXCL-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])oc21 ZINC000422784101 1027318633 /nfs/dbraw/zinc/31/86/33/1027318633.db2.gz LVEQDSJENDVSAG-KGLIPLIRSA-N 2 0 304.434 4.000 20 0 DHADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422778084 1027319463 /nfs/dbraw/zinc/31/94/63/1027319463.db2.gz ABEPHPXWSOXBMF-BTHPGYMESA-N 2 0 316.489 3.663 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422763513 1027322662 /nfs/dbraw/zinc/32/26/62/1027322662.db2.gz OTPSWKCDOJKMPB-NSHDSACASA-N 2 0 323.362 3.718 20 0 DHADRP Clc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422764310 1027324662 /nfs/dbraw/zinc/32/46/62/1027324662.db2.gz OGSXFKRMZZIKMX-FGTMMUONSA-N 2 0 306.881 3.783 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)C)cc1OCC ZINC000422799688 1027326820 /nfs/dbraw/zinc/32/68/20/1027326820.db2.gz YAPWIJVIHNGSRV-QMTMVMCOSA-N 2 0 322.493 3.897 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422803936 1027326856 /nfs/dbraw/zinc/32/68/56/1027326856.db2.gz DOHTYCVHDYCMPM-BURNTYAHSA-N 2 0 322.452 3.950 20 0 DHADRP COc1ccccc1[C@@H](CC(C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422808103 1027330321 /nfs/dbraw/zinc/33/03/21/1027330321.db2.gz AFVXNNCTTWUTBB-LEOMRAHMSA-N 2 0 304.478 3.890 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422812145 1027331117 /nfs/dbraw/zinc/33/11/17/1027331117.db2.gz PZUDNTUMOZLXQT-NXEZZACHSA-N 2 0 309.401 3.720 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422810826 1027332198 /nfs/dbraw/zinc/33/21/98/1027332198.db2.gz NYLBKXKGXLLWNA-INWMFGNUSA-N 2 0 314.395 3.916 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC[NH2+]CC3)oc21 ZINC000422789955 1027332643 /nfs/dbraw/zinc/33/26/43/1027332643.db2.gz STOIISFIEGDUBV-DZGCQCFKSA-N 2 0 302.418 3.624 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCOc2ccc(F)cc2)c2ccccc21 ZINC000422829760 1027334442 /nfs/dbraw/zinc/33/44/42/1027334442.db2.gz HXJVHLOAZWAYPX-RTBURBONSA-N 2 0 314.404 3.719 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422842109 1027334589 /nfs/dbraw/zinc/33/45/89/1027334589.db2.gz XQZZZJYBBYSZRN-MRXNPFEDSA-N 2 0 324.468 3.896 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s2)cc1 ZINC000422831196 1027335974 /nfs/dbraw/zinc/33/59/74/1027335974.db2.gz WLXOLESUVZSVJT-STQMWFEESA-N 2 0 304.459 3.639 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)c2ccccc21 ZINC000422830812 1027336305 /nfs/dbraw/zinc/33/63/05/1027336305.db2.gz DBXPBEURHJIAOZ-MJGOQNOKSA-N 2 0 309.388 3.584 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000422861928 1027341756 /nfs/dbraw/zinc/34/17/56/1027341756.db2.gz PCIXPEODCQFEDS-UKRRQHHQSA-N 2 0 315.486 3.905 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c(C)c2c1 ZINC000422858190 1027342282 /nfs/dbraw/zinc/34/22/82/1027342282.db2.gz HZIXJOJKHLUGCY-TZMCWYRMSA-N 2 0 304.434 3.918 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000422856420 1027343943 /nfs/dbraw/zinc/34/39/43/1027343943.db2.gz FFXOAYHUSQQAPM-KKUMJFAQSA-N 2 0 316.445 3.789 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422867374 1027348064 /nfs/dbraw/zinc/34/80/64/1027348064.db2.gz SAVYANDYXKIRKQ-NQIIRXRSSA-N 2 0 324.468 3.620 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422885569 1027349784 /nfs/dbraw/zinc/34/97/84/1027349784.db2.gz GZURFKFZHBCXED-QWHCGFSZSA-N 2 0 315.486 3.685 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422885204 1027351064 /nfs/dbraw/zinc/35/10/64/1027351064.db2.gz GJYCRBIXPNCBNV-KDOFPFPSSA-N 2 0 317.864 3.932 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000573997796 1027350864 /nfs/dbraw/zinc/35/08/64/1027350864.db2.gz LTKQMAGREABUHE-UXHICEINSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924958666 1027356759 /nfs/dbraw/zinc/35/67/59/1027356759.db2.gz FZEQKFOHIISZAE-HKUYNNGSSA-N 2 0 317.521 3.519 20 0 DHADRP C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C)C1C[NH2+]C1 ZINC000422922827 1027360552 /nfs/dbraw/zinc/36/05/52/1027360552.db2.gz QUPLNMKRMZKFJB-NHYWBVRUSA-N 2 0 314.395 3.990 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)cc1 ZINC000422926388 1027361255 /nfs/dbraw/zinc/36/12/55/1027361255.db2.gz WTVZVTOXIYIYPW-UHFFFAOYSA-N 2 0 324.468 3.969 20 0 DHADRP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000422929003 1027366407 /nfs/dbraw/zinc/36/64/07/1027366407.db2.gz NWMFYWSFGNOAGT-MAODMQOUSA-N 2 0 324.468 3.504 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000422922113 1027371871 /nfs/dbraw/zinc/37/18/71/1027371871.db2.gz RZPWAVZIWUFDDN-SKDRFNHKSA-N 2 0 303.233 3.534 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917505 1027372899 /nfs/dbraw/zinc/37/28/99/1027372899.db2.gz FFFWGHGXPYAWRZ-BTHPGYMESA-N 2 0 316.489 3.663 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422956528 1027378286 /nfs/dbraw/zinc/37/82/86/1027378286.db2.gz PWWJQHJHECTKJF-KHYOSLBOSA-N 2 0 310.441 3.893 20 0 DHADRP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H](C)C3C[NH2+]C3)cc2)c1 ZINC000422954937 1027379034 /nfs/dbraw/zinc/37/90/34/1027379034.db2.gz IPJOTAHHYBCRLA-DLBZAZTESA-N 2 0 324.468 3.833 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422978952 1027382546 /nfs/dbraw/zinc/38/25/46/1027382546.db2.gz LDKAULDDJOTHNR-NMLBUPMWSA-N 2 0 315.505 3.633 20 0 DHADRP CCCOc1cccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422991641 1027382967 /nfs/dbraw/zinc/38/29/67/1027382967.db2.gz PXEMTECSLZSXEE-PMACEKPBSA-N 2 0 310.441 3.752 20 0 DHADRP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422992717 1027383036 /nfs/dbraw/zinc/38/30/36/1027383036.db2.gz DGPFDSACJFFWEE-HTPOPCQBSA-N 2 0 302.462 3.545 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000422991910 1027383181 /nfs/dbraw/zinc/38/31/81/1027383181.db2.gz QLFANPLPTPCCBN-IUODEOHRSA-N 2 0 300.393 3.846 20 0 DHADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000422991718 1027383582 /nfs/dbraw/zinc/38/35/82/1027383582.db2.gz QATQHKJXBDDLFU-DXBFTMOHSA-N 2 0 310.388 3.612 20 0 DHADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OC ZINC000422993284 1027383699 /nfs/dbraw/zinc/38/36/99/1027383699.db2.gz FFZZQDOVEDYJFQ-OKYOBFRVSA-N 2 0 310.526 3.728 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000423000455 1027385342 /nfs/dbraw/zinc/38/53/42/1027385342.db2.gz ZGQABPQXANXDKX-LMCOJAPRSA-N 2 0 316.489 3.665 20 0 DHADRP Clc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422997212 1027386162 /nfs/dbraw/zinc/38/61/62/1027386162.db2.gz AXYYEHSPBLVOIJ-BHYGNILZSA-N 2 0 322.880 3.619 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422981480 1027386657 /nfs/dbraw/zinc/38/66/57/1027386657.db2.gz OHXMTGXDWKRVJZ-SXLOBPIMSA-N 2 0 316.489 3.578 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423019362 1027391796 /nfs/dbraw/zinc/39/17/96/1027391796.db2.gz VJSWVEJKQCKSTD-GHMZBOCLSA-N 2 0 321.317 3.942 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000423029270 1027397516 /nfs/dbraw/zinc/39/75/16/1027397516.db2.gz HXPVOBKQQZSBPE-XJKSGUPXSA-N 2 0 316.848 3.520 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])CCC2 ZINC000423027643 1027397876 /nfs/dbraw/zinc/39/78/76/1027397876.db2.gz RSDDOMPFJYQLNH-LMFCIFFHSA-N 2 0 316.489 3.529 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423041540 1027401507 /nfs/dbraw/zinc/40/15/07/1027401507.db2.gz JJMOKCFFMXUTNH-OLZOCXBDSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423072596 1027407327 /nfs/dbraw/zinc/40/73/27/1027407327.db2.gz JRPQIIIMUSFZMH-SNVBAGLBSA-N 2 0 314.260 3.734 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423053475 1027408163 /nfs/dbraw/zinc/40/81/63/1027408163.db2.gz SMKLIBIPEXMMFY-FOIQADDNSA-N 2 0 322.452 3.832 20 0 DHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423074783 1027408249 /nfs/dbraw/zinc/40/82/49/1027408249.db2.gz VFXMHKNCIPASKZ-NXWXRZEISA-N 2 0 314.473 3.719 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423053771 1027408445 /nfs/dbraw/zinc/40/84/45/1027408445.db2.gz SXEZRECQLMKAOZ-CABCVRRESA-N 2 0 316.420 3.620 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079535 1027411253 /nfs/dbraw/zinc/41/12/53/1027411253.db2.gz QVBZXKPZJPNWLZ-VHSXEESVSA-N 2 0 314.260 3.733 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000423078674 1027411476 /nfs/dbraw/zinc/41/14/76/1027411476.db2.gz OXWZJZCRVZZNPW-GJZGRUSLSA-N 2 0 310.844 3.760 20 0 DHADRP Cc1ccc([C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccn2)cc1 ZINC000423089335 1027413559 /nfs/dbraw/zinc/41/35/59/1027413559.db2.gz UVAZUAQIDIWUPH-OUNSHVDWSA-N 2 0 309.457 3.587 20 0 DHADRP CSc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423096454 1027415185 /nfs/dbraw/zinc/41/51/85/1027415185.db2.gz OVZWHECFNIOCND-GUDVDZBRSA-N 2 0 318.530 3.851 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096946 1027415207 /nfs/dbraw/zinc/41/52/07/1027415207.db2.gz QCPGJTGYJNLFCZ-PDKWGQGHSA-N 2 0 310.844 3.774 20 0 DHADRP COCC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423113776 1027427219 /nfs/dbraw/zinc/42/72/19/1027427219.db2.gz ZBDFNXUDZYBVDI-ABAIWWIYSA-N 2 0 319.276 3.788 20 0 DHADRP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423144994 1027429041 /nfs/dbraw/zinc/42/90/41/1027429041.db2.gz IPFYFMVTIRNYQU-PIKADFDJSA-N 2 0 320.427 3.853 20 0 DHADRP COCC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423153340 1027430949 /nfs/dbraw/zinc/43/09/49/1027430949.db2.gz NEKJZHRBBNLWPS-DOMZBBRYSA-N 2 0 318.383 3.500 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000423151535 1027431855 /nfs/dbraw/zinc/43/18/55/1027431855.db2.gz COCFHDCDTNROSI-SJORKVTESA-N 2 0 320.795 3.592 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423149842 1027431911 /nfs/dbraw/zinc/43/19/11/1027431911.db2.gz XXVSNPJWYPOTTA-YOEHRIQHSA-N 2 0 309.457 3.619 20 0 DHADRP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157423 1027432511 /nfs/dbraw/zinc/43/25/11/1027432511.db2.gz BAECQSABLVDNTO-FRYIKTPZSA-N 2 0 314.473 3.657 20 0 DHADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423137059 1027434788 /nfs/dbraw/zinc/43/47/88/1027434788.db2.gz WAOKMVJWVNAPDC-XUWVNRHRSA-N 2 0 300.437 3.712 20 0 DHADRP Cn1cncc1CCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000574924648 1027438765 /nfs/dbraw/zinc/43/87/65/1027438765.db2.gz BCDJOIOVIHJJCS-UHFFFAOYSA-N 2 0 312.244 3.792 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423173108 1027439428 /nfs/dbraw/zinc/43/94/28/1027439428.db2.gz WXZUPYLHUTXEHU-SFHLNBCPSA-N 2 0 322.452 3.983 20 0 DHADRP Brc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423175407 1027441366 /nfs/dbraw/zinc/44/13/66/1027441366.db2.gz AGCLVWZNMBHOGM-MRXNPFEDSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423176460 1027441569 /nfs/dbraw/zinc/44/15/69/1027441569.db2.gz CLNBRGFPCDVXMM-INIZCTEOSA-N 2 0 310.441 3.668 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423175515 1027442689 /nfs/dbraw/zinc/44/26/89/1027442689.db2.gz DUFDDORHTIZZQE-HZPDHXFCSA-N 2 0 308.416 3.636 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423177394 1027442743 /nfs/dbraw/zinc/44/27/43/1027442743.db2.gz DUEQMRAAHXAPTR-QGZVFWFLSA-N 2 0 316.489 3.694 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000423177765 1027443052 /nfs/dbraw/zinc/44/30/52/1027443052.db2.gz HVYQORUIZUOUOM-JTQLQIEISA-N 2 0 319.674 3.710 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207010 1027445631 /nfs/dbraw/zinc/44/56/31/1027445631.db2.gz GKCINUFDYNZEPC-RYRKJORJSA-N 2 0 306.881 3.640 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423209722 1027445788 /nfs/dbraw/zinc/44/57/88/1027445788.db2.gz JJSAKVYAIIJKHG-ZFWWWQNUSA-N 2 0 315.486 3.769 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207372 1027446200 /nfs/dbraw/zinc/44/62/00/1027446200.db2.gz GWQPSLSIWHCCSW-WIYYLYMNSA-N 2 0 324.468 3.568 20 0 DHADRP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423208048 1027446217 /nfs/dbraw/zinc/44/62/17/1027446217.db2.gz YLTDLYHNGWCLQT-MRXNPFEDSA-N 2 0 312.461 3.575 20 0 DHADRP [NH3+]CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423187561 1027450297 /nfs/dbraw/zinc/45/02/97/1027450297.db2.gz YERPFXHNYLZWAO-CYBMUJFWSA-N 2 0 321.877 3.779 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000423212931 1027451980 /nfs/dbraw/zinc/45/19/80/1027451980.db2.gz JGRNSVIHRDTKGE-FAFZWHIHSA-N 2 0 314.473 3.639 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423196131 1027453505 /nfs/dbraw/zinc/45/35/05/1027453505.db2.gz ZAEYMTXBDNWXDX-BOLBYERCSA-N 2 0 316.489 3.699 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423203642 1027456081 /nfs/dbraw/zinc/45/60/81/1027456081.db2.gz CRZMOOPBTMCQFO-JKSUJKDBSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@H]([NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)[C@H]1CCC[NH2+]C1 ZINC000423218599 1027462183 /nfs/dbraw/zinc/46/21/83/1027462183.db2.gz SAMJBPDFZIOZMH-MMPTUQATSA-N 2 0 313.272 3.958 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)[C@H]1CCC[NH2+]C1 ZINC000423218601 1027462868 /nfs/dbraw/zinc/46/28/68/1027462868.db2.gz SAMJBPDFZIOZMH-XMZIXOGTSA-N 2 0 313.272 3.958 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423219263 1027463171 /nfs/dbraw/zinc/46/31/71/1027463171.db2.gz SZKJJESLLHDKCI-ZENOOKHLSA-N 2 0 310.869 3.777 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000423246449 1027472436 /nfs/dbraw/zinc/47/24/36/1027472436.db2.gz KBWOWTWSHFSUAQ-KGLIPLIRSA-N 2 0 310.869 3.777 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423257246 1027478861 /nfs/dbraw/zinc/47/88/61/1027478861.db2.gz IIFMBTPDRXVFBA-QWHCGFSZSA-N 2 0 300.368 3.746 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000423281275 1027479088 /nfs/dbraw/zinc/47/90/88/1027479088.db2.gz UBXOHHCMHVZLKQ-BONVTDFDSA-N 2 0 319.449 3.646 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@@H](CN)C2CCCCC2)cc1OC ZINC000423261472 1027480148 /nfs/dbraw/zinc/48/01/48/1027480148.db2.gz JVDJTYGSOBNARI-YOEHRIQHSA-N 2 0 320.477 3.570 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1 ZINC000423289687 1027483962 /nfs/dbraw/zinc/48/39/62/1027483962.db2.gz BNKBYSVLLNMHTM-SCLBCKFNSA-N 2 0 318.848 3.837 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000423293565 1027485373 /nfs/dbraw/zinc/48/53/73/1027485373.db2.gz RSZSYZWIEQIACV-HZPDHXFCSA-N 2 0 320.440 3.743 20 0 DHADRP C[NH+](Cc1cncc(C[N@H+](C)CC2CCC2)c1)CC1CCC1 ZINC000575508142 1027486209 /nfs/dbraw/zinc/48/62/09/1027486209.db2.gz ZRRHXAMXSSMETN-UHFFFAOYSA-N 2 0 301.478 3.545 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)cn1 ZINC000423292229 1027487325 /nfs/dbraw/zinc/48/73/25/1027487325.db2.gz MAGKUMOXFNZOAH-SCLBCKFNSA-N 2 0 301.409 3.727 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)cn1 ZINC000423292230 1027487452 /nfs/dbraw/zinc/48/74/52/1027487452.db2.gz MAGKUMOXFNZOAH-UGSOOPFHSA-N 2 0 301.409 3.727 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423273325 1027490628 /nfs/dbraw/zinc/49/06/28/1027490628.db2.gz KXTAOGADPASEHL-ZOBORPQBSA-N 2 0 312.910 3.873 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+][C@H]3CCCC[C@H]3C[NH3+])oc21 ZINC000423269330 1027490757 /nfs/dbraw/zinc/49/07/57/1027490757.db2.gz FKXXYXWDSNTJAE-QEJZJMRPSA-N 2 0 302.418 3.610 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OCC ZINC000423277370 1027492211 /nfs/dbraw/zinc/49/22/11/1027492211.db2.gz PLJRMEKBHZUJMQ-UAGQMJEPSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423278742 1027492995 /nfs/dbraw/zinc/49/29/95/1027492995.db2.gz QMZMNUQOPBHOKX-BPUTZDHNSA-N 2 0 315.486 3.978 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423314659 1027497409 /nfs/dbraw/zinc/49/74/09/1027497409.db2.gz HLYHROHTIHAIRV-HUUCEWRRSA-N 2 0 300.368 3.729 20 0 DHADRP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423316359 1027500392 /nfs/dbraw/zinc/50/03/92/1027500392.db2.gz ANGBBMAEYHBJDP-WMLDXEAASA-N 2 0 312.404 3.718 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423348505 1027506040 /nfs/dbraw/zinc/50/60/40/1027506040.db2.gz UCGKLZDRYZZMOC-GXFFZTMASA-N 2 0 317.296 3.551 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423303967 1027506502 /nfs/dbraw/zinc/50/65/02/1027506502.db2.gz XVEIJPFUFIRWSF-SJORKVTESA-N 2 0 304.478 3.537 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423343830 1027506727 /nfs/dbraw/zinc/50/67/27/1027506727.db2.gz XGSGLGGJVVDFAS-CYBMUJFWSA-N 2 0 314.395 3.616 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423347628 1027507099 /nfs/dbraw/zinc/50/70/99/1027507099.db2.gz QWSVWAPUVDDWPA-SFHVURJKSA-N 2 0 300.446 3.533 20 0 DHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423348584 1027508184 /nfs/dbraw/zinc/50/81/84/1027508184.db2.gz UHLIKWYGFRTUDJ-VIFPVBQESA-N 2 0 303.208 3.703 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)s1 ZINC000423332050 1027509486 /nfs/dbraw/zinc/50/94/86/1027509486.db2.gz OTWZRSZPLBJZLW-ZWNOBZJWSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423331440 1027511032 /nfs/dbraw/zinc/51/10/32/1027511032.db2.gz OJGRWOAQJHLZQG-SWLSCSKDSA-N 2 0 300.368 3.746 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423335375 1027512702 /nfs/dbraw/zinc/51/27/02/1027512702.db2.gz GEMUYCNUERJFAN-OAHLLOKOSA-N 2 0 310.894 3.720 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423335325 1027514645 /nfs/dbraw/zinc/51/46/45/1027514645.db2.gz RPYRSEZYZRRUAJ-GFCCVEGCSA-N 2 0 300.368 3.746 20 0 DHADRP C[C@@H]([NH2+]CC1([NH3+])CCC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423335107 1027515107 /nfs/dbraw/zinc/51/51/07/1027515107.db2.gz UCDZJFRKGNLNSI-GHMZBOCLSA-N 2 0 317.260 3.620 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423335363 1027515329 /nfs/dbraw/zinc/51/53/29/1027515329.db2.gz GEMUYCNUERJFAN-HNNXBMFYSA-N 2 0 310.894 3.720 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000423373161 1027517481 /nfs/dbraw/zinc/51/74/81/1027517481.db2.gz IVDOCQPQQSUPPT-SIXWZSSISA-N 2 0 302.462 3.657 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCCS2 ZINC000423351987 1027517521 /nfs/dbraw/zinc/51/75/21/1027517521.db2.gz ZWYCGCPKESZHIE-AEFFLSMTSA-N 2 0 320.502 3.602 20 0 DHADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000296038034 1027522275 /nfs/dbraw/zinc/52/22/75/1027522275.db2.gz NUBCSJQYIJLTPH-HBUWYVDXSA-N 2 0 306.400 3.559 20 0 DHADRP Cc1cc([C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C2CC2)ccc1F ZINC000423369544 1027525225 /nfs/dbraw/zinc/52/52/25/1027525225.db2.gz FBRYVMMNTISVOI-FQEVSTJZSA-N 2 0 310.416 3.978 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423382111 1027528041 /nfs/dbraw/zinc/52/80/41/1027528041.db2.gz DFYXTXBHYWDBAS-RKVPGOIHSA-N 2 0 313.489 3.812 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2cccc(Br)c21 ZINC000423386482 1027530854 /nfs/dbraw/zinc/53/08/54/1027530854.db2.gz HGLDMVGRRSUPKQ-BVIHXZOGSA-N 2 0 323.278 3.585 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423390619 1027532162 /nfs/dbraw/zinc/53/21/62/1027532162.db2.gz OZXCMBBFXDTAAK-XCLFUZPHSA-N 2 0 310.416 3.842 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423395493 1027534105 /nfs/dbraw/zinc/53/41/05/1027534105.db2.gz SSYDUKQDRCLBHT-QWHCGFSZSA-N 2 0 302.384 3.614 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423393151 1027535605 /nfs/dbraw/zinc/53/56/05/1027535605.db2.gz QNDCTRVKTBJGGJ-FQEVSTJZSA-N 2 0 322.452 3.910 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423393114 1027535706 /nfs/dbraw/zinc/53/57/06/1027535706.db2.gz YKTMNRLMCJDCNU-SCWSEQNSSA-N 2 0 324.468 3.709 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)oc21 ZINC000423419418 1027537524 /nfs/dbraw/zinc/53/75/24/1027537524.db2.gz IRTNNXLSHFBMSE-RBSFLKMASA-N 2 0 316.445 3.857 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCc2ccccn2)CC1 ZINC000363168210 1027544329 /nfs/dbraw/zinc/54/43/29/1027544329.db2.gz VMZRIJJXHVFWGO-NRFANRHFSA-N 2 0 323.484 3.611 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423429047 1027546222 /nfs/dbraw/zinc/54/62/22/1027546222.db2.gz JYEBCDNYEIGLKS-UWVGGRQHSA-N 2 0 305.285 3.679 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423428217 1027548264 /nfs/dbraw/zinc/54/82/64/1027548264.db2.gz GFXYRZNEZCNJOP-UIAACRFSSA-N 2 0 316.489 3.760 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423455918 1027553310 /nfs/dbraw/zinc/55/33/10/1027553310.db2.gz GDKGFAHRYASJNC-BQFCYCMXSA-N 2 0 304.478 3.890 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423460755 1027555695 /nfs/dbraw/zinc/55/56/95/1027555695.db2.gz NIZCYAWVRPELOP-VHENEKKESA-N 2 0 320.864 3.659 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423460398 1027555886 /nfs/dbraw/zinc/55/58/86/1027555886.db2.gz BAWCJIMQLVIMRM-UWWQBHOKSA-N 2 0 306.469 3.933 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCC1 ZINC000423466668 1027557479 /nfs/dbraw/zinc/55/74/79/1027557479.db2.gz ITKGOVFZYGWLPQ-QXAKKESOSA-N 2 0 304.453 3.687 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CCS2 ZINC000423470744 1027557567 /nfs/dbraw/zinc/55/75/67/1027557567.db2.gz LZIFPZHOKFLRCY-YQQAZPJKSA-N 2 0 304.503 3.947 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423468480 1027557932 /nfs/dbraw/zinc/55/79/32/1027557932.db2.gz CAKWQORZIJPMHI-GDBMZVCRSA-N 2 0 308.853 3.676 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000423468708 1027558859 /nfs/dbraw/zinc/55/88/59/1027558859.db2.gz URKMJUNTIBNSKR-ZOWXZIJZSA-N 2 0 300.368 3.874 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423469729 1027558873 /nfs/dbraw/zinc/55/88/73/1027558873.db2.gz KKOTZRZXNRKAJX-CKEIUWERSA-N 2 0 322.880 3.969 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423479300 1027560422 /nfs/dbraw/zinc/56/04/22/1027560422.db2.gz UYOQFRJQAZGGCJ-KHYOSLBOSA-N 2 0 311.473 3.961 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)c1nc2ccccc2s1 ZINC000423478618 1027561333 /nfs/dbraw/zinc/56/13/33/1027561333.db2.gz UCQSHTVVGNRMMT-XQLPTFJDSA-N 2 0 317.502 3.895 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423478617 1027561753 /nfs/dbraw/zinc/56/17/53/1027561753.db2.gz UCQSHTVVGNRMMT-LXTVHRRPSA-N 2 0 317.502 3.895 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423474241 1027562033 /nfs/dbraw/zinc/56/20/33/1027562033.db2.gz YYYDNCAOGYBSDG-MJBXVCDLSA-N 2 0 312.404 3.765 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000423478663 1027562071 /nfs/dbraw/zinc/56/20/71/1027562071.db2.gz UIQCNFTZXODICA-WOSRLPQWSA-N 2 0 308.853 3.661 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000423504257 1027568046 /nfs/dbraw/zinc/56/80/46/1027568046.db2.gz KUXKBELYJOHOPS-SCLBCKFNSA-N 2 0 316.395 3.771 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000423487570 1027570765 /nfs/dbraw/zinc/57/07/65/1027570765.db2.gz CSRKWTZQIIOWBB-ABSDTBQOSA-N 2 0 308.469 3.924 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423484957 1027571191 /nfs/dbraw/zinc/57/11/91/1027571191.db2.gz RKTMOIAQTKLDEN-MNOVXSKESA-N 2 0 317.296 3.693 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCS2 ZINC000423484904 1027571708 /nfs/dbraw/zinc/57/17/08/1027571708.db2.gz RGXWINWASJDFPG-UKRRQHHQSA-N 2 0 310.894 3.999 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423484913 1027571816 /nfs/dbraw/zinc/57/18/16/1027571816.db2.gz RHRIZZKAMSFIST-BEFAXECRSA-N 2 0 311.473 3.976 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1O ZINC000423524916 1027580169 /nfs/dbraw/zinc/58/01/69/1027580169.db2.gz XMUYPQCFKIZXKY-WMLDXEAASA-N 2 0 314.429 3.532 20 0 DHADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000423526526 1027580607 /nfs/dbraw/zinc/58/06/07/1027580607.db2.gz LMYJSLSNTINUIL-OAHLLOKOSA-N 2 0 311.267 3.632 20 0 DHADRP CCC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCCC1 ZINC000423525962 1027580723 /nfs/dbraw/zinc/58/07/23/1027580723.db2.gz YWFKMWUBUYTNGO-SOAGJPPSSA-N 2 0 321.553 3.541 20 0 DHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423519055 1027581003 /nfs/dbraw/zinc/58/10/03/1027581003.db2.gz ZTGGHWQJKHOIDU-MGPUTAFESA-N 2 0 310.441 3.848 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423519056 1027581483 /nfs/dbraw/zinc/58/14/83/1027581483.db2.gz ZTGGHWQJKHOIDU-QRWLVFNGSA-N 2 0 310.441 3.848 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541974 1027583055 /nfs/dbraw/zinc/58/30/55/1027583055.db2.gz SOBCXRQWTKXMBZ-GFCCVEGCSA-N 2 0 307.507 3.709 20 0 DHADRP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539196 1027583171 /nfs/dbraw/zinc/58/31/71/1027583171.db2.gz HVWLBDINHIRPIR-XUWVNRHRSA-N 2 0 304.503 3.837 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc2c(s1)CCCC2 ZINC000423540595 1027583719 /nfs/dbraw/zinc/58/37/19/1027583719.db2.gz JYRWNPKFAZMAIO-QCEMKRCNSA-N 2 0 304.503 3.666 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423537572 1027583803 /nfs/dbraw/zinc/58/38/03/1027583803.db2.gz DEIOSKKHHCJCSN-ZJOBFFGXSA-N 2 0 320.864 3.531 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775601 1027600852 /nfs/dbraw/zinc/60/08/52/1027600852.db2.gz VBXSWFXHQJCNRU-GDBMZVCRSA-N 2 0 312.379 3.622 20 0 DHADRP Cc1cnccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000576514097 1027627155 /nfs/dbraw/zinc/62/71/55/1027627155.db2.gz XKEHNPOYPIWDRM-IBGZPJMESA-N 2 0 315.505 3.521 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(C[NH+](C)C)c1 ZINC000924966363 1027638188 /nfs/dbraw/zinc/63/81/88/1027638188.db2.gz DPIIKHHIRYCOLK-KUHUBIRLSA-N 2 0 310.441 3.792 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2C)C2CC2)C1 ZINC000576654539 1027645799 /nfs/dbraw/zinc/64/57/99/1027645799.db2.gz QAYUIFPVTXRXOV-YLJYHZDGSA-N 2 0 300.490 3.638 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCCSC1 ZINC000576665603 1027646294 /nfs/dbraw/zinc/64/62/94/1027646294.db2.gz VYCAIHLOCKGZTI-SFHVURJKSA-N 2 0 320.546 3.877 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985446 1027688428 /nfs/dbraw/zinc/68/84/28/1027688428.db2.gz YXDKUZCFKIYXTD-RTWAWAEBSA-N 2 0 321.468 3.665 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000296794376 1027734393 /nfs/dbraw/zinc/73/43/93/1027734393.db2.gz SYGBMUKKBBZEKG-QGZVFWFLSA-N 2 0 318.505 3.658 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000577513441 1027799438 /nfs/dbraw/zinc/79/94/38/1027799438.db2.gz NWHCGTTYZHJNLF-CJNGLKHVSA-N 2 0 324.415 3.671 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000562912012 1027799745 /nfs/dbraw/zinc/79/97/45/1027799745.db2.gz IDICFTVUDWCVGB-LTBFUDJGSA-N 2 0 324.415 3.575 20 0 DHADRP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCO[C@H](C)C2)cc1 ZINC001168099798 1027898250 /nfs/dbraw/zinc/89/82/50/1027898250.db2.gz CIMYXSDAKKBHTL-AFYVEPGGSA-N 2 0 316.489 3.634 20 0 DHADRP C[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000577751989 1027919747 /nfs/dbraw/zinc/91/97/47/1027919747.db2.gz YIADJDVJEJUTMY-XJKSGUPXSA-N 2 0 314.395 3.697 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C(C)C)c2)CC1 ZINC000527860978 1027922849 /nfs/dbraw/zinc/92/28/49/1027922849.db2.gz WMXGMLOJSLMSOY-QGZVFWFLSA-N 2 0 318.505 3.962 20 0 DHADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC12CC2 ZINC000527862254 1027925819 /nfs/dbraw/zinc/92/58/19/1027925819.db2.gz ABZNDOBGCGIWMD-DSJDWBEOSA-N 2 0 312.501 3.921 20 0 DHADRP CC[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000527896253 1027944199 /nfs/dbraw/zinc/94/41/99/1027944199.db2.gz LFRVZWZYLOSGJH-IBGZPJMESA-N 2 0 300.490 3.862 20 0 DHADRP COCCC1CC[NH+](C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000527936260 1027996872 /nfs/dbraw/zinc/99/68/72/1027996872.db2.gz PPAKSZKDQGDAMT-YLJYHZDGSA-N 2 0 322.537 3.778 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527981512 1028002127 /nfs/dbraw/zinc/00/21/27/1028002127.db2.gz KFBNTHWMJFQFIW-WSTZPKSXSA-N 2 0 313.489 3.628 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365821476 1028009940 /nfs/dbraw/zinc/00/99/40/1028009940.db2.gz KWDYKZQATRBVOQ-UONOGXRCSA-N 2 0 310.844 3.628 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365821470 1028011319 /nfs/dbraw/zinc/01/13/19/1028011319.db2.gz KWDYKZQATRBVOQ-KBPBESRZSA-N 2 0 310.844 3.628 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])CC3 ZINC000578005262 1028015960 /nfs/dbraw/zinc/01/59/60/1028015960.db2.gz XELBRDYRNGJDMU-ZTQAJYAQSA-N 2 0 311.473 3.583 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000365967437 1028036438 /nfs/dbraw/zinc/03/64/38/1028036438.db2.gz MDHHFJZQSLOLIH-IBGZPJMESA-N 2 0 318.530 3.550 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000367058886 1028129557 /nfs/dbraw/zinc/12/95/57/1028129557.db2.gz YWXYDWKTYJUJCA-ROUUACIJSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000367063912 1028129931 /nfs/dbraw/zinc/12/99/31/1028129931.db2.gz APFQPSOMZRLKGQ-HFTRVMKXSA-N 2 0 324.896 3.736 20 0 DHADRP CCOC1CC(C[N@H+](C)C2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000367150245 1028140812 /nfs/dbraw/zinc/14/08/12/1028140812.db2.gz CVQBHZXAYQEYTA-UHFFFAOYSA-N 2 0 322.537 3.776 20 0 DHADRP Cn1cncc1CCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000578519242 1028171649 /nfs/dbraw/zinc/17/16/49/1028171649.db2.gz SVFJUBPARHAPIP-UHFFFAOYSA-N 2 0 315.436 3.937 20 0 DHADRP CC(C)C1CCC(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000578557026 1028179233 /nfs/dbraw/zinc/17/92/33/1028179233.db2.gz AJKOXCOXGVOWQK-RNUBBMKBSA-N 2 0 322.537 3.632 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000563730888 1028180886 /nfs/dbraw/zinc/18/08/86/1028180886.db2.gz KCSUBPIEMZAUMA-KBPBESRZSA-N 2 0 308.416 3.636 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000578642818 1028201933 /nfs/dbraw/zinc/20/19/33/1028201933.db2.gz DGZQTKBTUJMBJL-CHWSQXEVSA-N 2 0 317.260 3.622 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000367634874 1028219691 /nfs/dbraw/zinc/21/96/91/1028219691.db2.gz PGQVMHRLQOGPLV-DYVFJYSZSA-N 2 0 320.864 3.628 20 0 DHADRP CCC[C@@H](C)CC[C@@H](C)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001257477200 1028239498 /nfs/dbraw/zinc/23/94/98/1028239498.db2.gz MUJNXTAWLVZUTQ-RTBURBONSA-N 2 0 311.558 3.551 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449019397 1028250193 /nfs/dbraw/zinc/25/01/93/1028250193.db2.gz WDBZTIZOHXVWFT-AWEZNQCLSA-N 2 0 310.432 3.875 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000579009340 1028299260 /nfs/dbraw/zinc/29/92/60/1028299260.db2.gz UPTDCZCVGZEHPV-OAHLLOKOSA-N 2 0 312.379 3.527 20 0 DHADRP CSC1(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000368229402 1028321757 /nfs/dbraw/zinc/32/17/57/1028321757.db2.gz UYWOTGWFMTYLCN-SJORKVTESA-N 2 0 304.503 3.555 20 0 DHADRP FC(F)(F)c1cccc([C@@H]2CC[N@H+](CCCn3ccnc3)C2)c1 ZINC000368349352 1028338148 /nfs/dbraw/zinc/33/81/48/1028338148.db2.gz RKKDIYOJNUYHHM-OAHLLOKOSA-N 2 0 323.362 3.782 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCn2cccn2)CC1 ZINC000449078844 1028339945 /nfs/dbraw/zinc/33/99/45/1028339945.db2.gz ZAVOLLBIWMMAAN-UHFFFAOYSA-N 2 0 320.525 3.542 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000449079815 1028343507 /nfs/dbraw/zinc/34/35/07/1028343507.db2.gz QDXDGWCDHRWCJD-UXHICEINSA-N 2 0 323.569 3.599 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449081235 1028343544 /nfs/dbraw/zinc/34/35/44/1028343544.db2.gz CWTHQCMDJUJCMB-KRWDZBQOSA-N 2 0 318.509 3.742 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449104030 1028355646 /nfs/dbraw/zinc/35/56/46/1028355646.db2.gz DJMKWZCDFYFIEY-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000449189492 1028426785 /nfs/dbraw/zinc/42/67/85/1028426785.db2.gz HOGRJKCKKFRAGD-LJQANCHMSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449217050 1028460382 /nfs/dbraw/zinc/46/03/82/1028460382.db2.gz WRUBVWGQQQPROH-JFRXWTBNSA-N 2 0 318.530 3.628 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000449237662 1028461719 /nfs/dbraw/zinc/46/17/19/1028461719.db2.gz CJYBNMXOSBTUDL-MRXNPFEDSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000449232887 1028473151 /nfs/dbraw/zinc/47/31/51/1028473151.db2.gz JOQBGKAGSDUCHD-HKUYNNGSSA-N 2 0 300.490 3.780 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]CC2CC[NH2+]CC2)ccc1Cl ZINC000564822348 1028506083 /nfs/dbraw/zinc/50/60/83/1028506083.db2.gz LJWXSXKXPDRAMV-OAHLLOKOSA-N 2 0 324.896 3.785 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc4ccccc4n3)C2)CC1 ZINC000369702803 1028517905 /nfs/dbraw/zinc/51/79/05/1028517905.db2.gz KJZMPOVSJOWADE-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP CC(C)Cc1ncc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000369722821 1028521141 /nfs/dbraw/zinc/52/11/41/1028521141.db2.gz UBDLFQHJZNIOPQ-UHFFFAOYSA-N 2 0 321.534 3.649 20 0 DHADRP COCC(C)(C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449338826 1028552637 /nfs/dbraw/zinc/55/26/37/1028552637.db2.gz WJOHPPZQGGARMF-UHFFFAOYSA-N 2 0 312.542 3.928 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000565350682 1028578747 /nfs/dbraw/zinc/57/87/47/1028578747.db2.gz LTSRBBVXVLDADU-GOSISDBHSA-N 2 0 307.397 3.510 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000815647923 1028591406 /nfs/dbraw/zinc/59/14/06/1028591406.db2.gz YNBPAVSFEKWBCI-INIZCTEOSA-N 2 0 302.462 3.538 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000449360245 1028592338 /nfs/dbraw/zinc/59/23/38/1028592338.db2.gz HSZZOXAXHJWODS-AWEZNQCLSA-N 2 0 304.503 3.728 20 0 DHADRP COC[C@]1(C)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000449397227 1028599195 /nfs/dbraw/zinc/59/91/95/1028599195.db2.gz UQQYYMRXCFVZGK-HXUWFJFHSA-N 2 0 318.505 3.503 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1C(F)(F)F ZINC000565703940 1028623582 /nfs/dbraw/zinc/62/35/82/1028623582.db2.gz HBFHWYMKPYPDBW-OAHLLOKOSA-N 2 0 314.395 3.834 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000370620749 1028625191 /nfs/dbraw/zinc/62/51/91/1028625191.db2.gz WXPKBFTYCBGAIO-GUXCAODWSA-N 2 0 309.457 3.567 20 0 DHADRP C[C@H](CCCO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449409499 1028627202 /nfs/dbraw/zinc/62/72/02/1028627202.db2.gz ULTJHJKFWQLLGP-MRXNPFEDSA-N 2 0 312.542 3.664 20 0 DHADRP CC(C)(C)c1csc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000566004109 1028665005 /nfs/dbraw/zinc/66/50/05/1028665005.db2.gz RNFLGGWNJVBOKC-GJZGRUSLSA-N 2 0 315.486 3.718 20 0 DHADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H]1c1ccccc1 ZINC000371055071 1028666220 /nfs/dbraw/zinc/66/62/20/1028666220.db2.gz QGMFUEGPPYUTAI-QFBILLFUSA-N 2 0 316.395 3.747 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccncc1 ZINC000371208912 1028675964 /nfs/dbraw/zinc/67/59/64/1028675964.db2.gz KDXIWXLHEZLQRF-QINHECLXSA-N 2 0 309.457 3.567 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228857 1028692371 /nfs/dbraw/zinc/69/23/71/1028692371.db2.gz BJQHGJCAAQFVAM-RDTXWAMCSA-N 2 0 304.503 3.717 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000371392534 1028700726 /nfs/dbraw/zinc/70/07/26/1028700726.db2.gz OYVZGOHEQQJJLM-UHFFFAOYSA-N 2 0 309.457 3.522 20 0 DHADRP c1ccc([C@@H]2CSCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000566351404 1028707943 /nfs/dbraw/zinc/70/79/43/1028707943.db2.gz YJOWUCTTXQWIGH-FQEVSTJZSA-N 2 0 324.493 3.622 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(SC(F)F)cc2)CC[N@@H+]1C ZINC000781632902 1028762511 /nfs/dbraw/zinc/76/25/11/1028762511.db2.gz ZNMSZHATVKPGCQ-DGCLKSJQSA-N 2 0 300.418 3.574 20 0 DHADRP CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000449565360 1028808661 /nfs/dbraw/zinc/80/86/61/1028808661.db2.gz IKRFAOXIZRMKPB-LSDHHAIUSA-N 2 0 323.444 3.809 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628186572 1028926936 /nfs/dbraw/zinc/92/69/36/1028926936.db2.gz ORJCFCQSAXICTP-OAHLLOKOSA-N 2 0 314.395 3.522 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)sc1Br ZINC000567639330 1028931019 /nfs/dbraw/zinc/93/10/19/1028931019.db2.gz HHBXLKMTUGASOU-NSHDSACASA-N 2 0 319.312 3.858 20 0 DHADRP C[C@]1(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCCS1 ZINC000628232530 1028952095 /nfs/dbraw/zinc/95/20/95/1028952095.db2.gz BPVUGUUKWFCVKL-GOSISDBHSA-N 2 0 304.503 3.658 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000449740305 1028960112 /nfs/dbraw/zinc/96/01/12/1028960112.db2.gz FVZCILLIALAWDE-PBEJRMEISA-N 2 0 312.501 3.718 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000568814315 1029129252 /nfs/dbraw/zinc/12/92/52/1029129252.db2.gz BYKZCUKLJDMICS-HZPDHXFCSA-N 2 0 306.519 3.659 20 0 DHADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H](CC2CC2)c2ccccc2)CCCO1 ZINC000568947865 1029150496 /nfs/dbraw/zinc/15/04/96/1029150496.db2.gz DLNFPOKLMNFOFO-PXNSSMCTSA-N 2 0 316.489 3.618 20 0 DHADRP COC[C@@]1(C)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411774908 1029205351 /nfs/dbraw/zinc/20/53/51/1029205351.db2.gz QAFHWHBKGGJSNV-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000569659455 1029244716 /nfs/dbraw/zinc/24/47/16/1029244716.db2.gz BURFENFPMXVMTO-SFHVURJKSA-N 2 0 302.462 3.538 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000817894286 1029268814 /nfs/dbraw/zinc/26/88/14/1029268814.db2.gz LFFNEKSAKNXEJG-HZPDHXFCSA-N 2 0 317.521 3.668 20 0 DHADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)C2)cc1 ZINC000817898113 1029269367 /nfs/dbraw/zinc/26/93/67/1029269367.db2.gz ZZBKHXKDHZPFQH-NDXORKPFSA-N 2 0 321.468 3.698 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817924928 1029279043 /nfs/dbraw/zinc/27/90/43/1029279043.db2.gz MRTPFGMYQHKHCB-NJDAHSKKSA-N 2 0 324.468 3.637 20 0 DHADRP CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H](O)c1ccccc1 ZINC000817927631 1029279480 /nfs/dbraw/zinc/27/94/80/1029279480.db2.gz NVKHQZDUALKLDK-IYWMVGAKSA-N 2 0 310.441 3.623 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000817946894 1029286221 /nfs/dbraw/zinc/28/62/21/1029286221.db2.gz HIHMXUQMGSSCBL-CYBMUJFWSA-N 2 0 320.383 3.640 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc2c(s1)CCC2 ZINC000817947991 1029291638 /nfs/dbraw/zinc/29/16/38/1029291638.db2.gz HXJHAPDPZOVQQJ-ZDUSSCGKSA-N 2 0 300.471 3.589 20 0 DHADRP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000817958437 1029298272 /nfs/dbraw/zinc/29/82/72/1029298272.db2.gz JRRWGDNVRIGTPT-IOJLRTSASA-N 2 0 318.505 3.513 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817966765 1029304701 /nfs/dbraw/zinc/30/47/01/1029304701.db2.gz VFXOMFOMASFIMP-BMIGLBTASA-N 2 0 316.276 3.616 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1C ZINC000817969503 1029308829 /nfs/dbraw/zinc/30/88/29/1029308829.db2.gz VJZZKRRIGXJFIJ-HNNXBMFYSA-N 2 0 310.441 3.766 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817970340 1029310428 /nfs/dbraw/zinc/31/04/28/1029310428.db2.gz ROKRABDXPFEAIK-WCFLWFBJSA-N 2 0 300.418 3.922 20 0 DHADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(SC(F)F)cc1 ZINC000817984704 1029320166 /nfs/dbraw/zinc/32/01/66/1029320166.db2.gz XMMIWNUROLUNMD-NSHDSACASA-N 2 0 300.418 3.794 20 0 DHADRP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000629399760 1029323084 /nfs/dbraw/zinc/32/30/84/1029323084.db2.gz VXZVUFXURALPIO-UHFFFAOYSA-N 2 0 324.877 3.524 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2ccccc2c1 ZINC000374419452 1029330305 /nfs/dbraw/zinc/33/03/05/1029330305.db2.gz HMSMLAMPIWFEFM-NJDAHSKKSA-N 2 0 324.468 3.523 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Oc2cccnc2)cc1 ZINC000570227210 1029333697 /nfs/dbraw/zinc/33/36/97/1029333697.db2.gz ZFZCIAYFCHGLKI-BHYGNILZSA-N 2 0 311.429 3.794 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@H]2CCC[C@H]21 ZINC000570249897 1029338608 /nfs/dbraw/zinc/33/86/08/1029338608.db2.gz IHYLOGVUEBZCKY-RUZUBIRVSA-N 2 0 310.894 3.851 20 0 DHADRP CC(C)C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629525711 1029356743 /nfs/dbraw/zinc/35/67/43/1029356743.db2.gz ZTERIJXURVAEMY-INIZCTEOSA-N 2 0 310.869 3.525 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000629533987 1029362036 /nfs/dbraw/zinc/36/20/36/1029362036.db2.gz HBLHXOUPYLGVBX-UZLBHIALSA-N 2 0 315.505 3.731 20 0 DHADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC1([NH3+])CCCCCC1 ZINC000570380652 1029361867 /nfs/dbraw/zinc/36/18/67/1029361867.db2.gz WHRUVQODIHYXKI-HNNXBMFYSA-N 2 0 314.477 3.525 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629547406 1029363133 /nfs/dbraw/zinc/36/31/33/1029363133.db2.gz AFRFLVDYIYBJTM-NSHDSACASA-N 2 0 315.383 3.622 20 0 DHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000629543420 1029364497 /nfs/dbraw/zinc/36/44/97/1029364497.db2.gz AXECBAOFFMTYJS-SFHVURJKSA-N 2 0 315.505 3.725 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544695 1029364555 /nfs/dbraw/zinc/36/45/55/1029364555.db2.gz IZENJUIMKXWOFO-BZNIZROVSA-N 2 0 323.843 3.610 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCCCCC[NH+]3CCCC3)C[C@H]2C1 ZINC000818330563 1029366799 /nfs/dbraw/zinc/36/67/99/1029366799.db2.gz AAWGDVYASYXKAM-FGYAAKKASA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559834 1029369273 /nfs/dbraw/zinc/36/92/73/1029369273.db2.gz CRNCNTHJQDEZKC-QLFBSQMISA-N 2 0 300.368 3.597 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529522866 1029374564 /nfs/dbraw/zinc/37/45/64/1029374564.db2.gz IHPVBFXLFKZGJJ-UHFFFAOYSA-N 2 0 306.397 3.541 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000450326084 1029376365 /nfs/dbraw/zinc/37/63/65/1029376365.db2.gz XBRSVNAUTNZTFR-SJORKVTESA-N 2 0 314.464 3.866 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000629650185 1029403797 /nfs/dbraw/zinc/40/37/97/1029403797.db2.gz QHXKCYSXRZEKGH-IJEWVQPXSA-N 2 0 308.416 3.532 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170909659 1029407126 /nfs/dbraw/zinc/40/71/26/1029407126.db2.gz VTENTFWPLQJYPH-QGZVFWFLSA-N 2 0 320.908 3.907 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)COCc1ccccc1 ZINC000389923409 1029436582 /nfs/dbraw/zinc/43/65/82/1029436582.db2.gz UETYWGFBUGAJAP-YSGRDPCXSA-N 2 0 310.441 3.574 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000818959689 1029444871 /nfs/dbraw/zinc/44/48/71/1029444871.db2.gz QUOZQYCTJRLTMY-YJBOKZPZSA-N 2 0 324.896 3.618 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000450449426 1029483288 /nfs/dbraw/zinc/48/32/88/1029483288.db2.gz BZKWQAANMSCYTO-QGZVFWFLSA-N 2 0 306.881 3.546 20 0 DHADRP CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820825310 1029769203 /nfs/dbraw/zinc/76/92/03/1029769203.db2.gz ZMBRSAHAEOZDTB-PWIZWCRZSA-N 2 0 318.505 3.850 20 0 DHADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820825311 1029769996 /nfs/dbraw/zinc/76/99/96/1029769996.db2.gz ZMBRSAHAEOZDTB-VDGAXYAQSA-N 2 0 318.505 3.850 20 0 DHADRP COc1cccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2(C)C)c1 ZINC000530230463 1029783925 /nfs/dbraw/zinc/78/39/25/1029783925.db2.gz GNUYWYAXROQVSF-LPHOPBHVSA-N 2 0 316.489 3.510 20 0 DHADRP Cc1cnccc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000530216414 1029785458 /nfs/dbraw/zinc/78/54/58/1029785458.db2.gz BGNVKAGYPJAJIC-RTWAWAEBSA-N 2 0 323.484 3.562 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170956854 1029794712 /nfs/dbraw/zinc/79/47/12/1029794712.db2.gz IICJSXHNNNBRII-WBVHZDCISA-N 2 0 306.469 3.783 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925233799 1029842825 /nfs/dbraw/zinc/84/28/25/1029842825.db2.gz XNZXVQKDGPEPRZ-WOJBJXKFSA-N 2 0 322.537 3.539 20 0 DHADRP Fc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)CC2 ZINC001170970196 1029865464 /nfs/dbraw/zinc/86/54/64/1029865464.db2.gz LWENTJVJPLEXEJ-KRWDZBQOSA-N 2 0 316.464 3.537 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000865718427 1029985993 /nfs/dbraw/zinc/98/59/93/1029985993.db2.gz ZFNQYBAURIAPHC-UHFFFAOYSA-N 2 0 311.420 3.619 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CS1 ZINC000865775246 1030018360 /nfs/dbraw/zinc/01/83/60/1030018360.db2.gz RZJAFPXWFPXVJW-AEFFLSMTSA-N 2 0 318.530 3.524 20 0 DHADRP C/C(=C\c1ccccc1OC(F)F)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000290375749 1030019565 /nfs/dbraw/zinc/01/95/65/1030019565.db2.gz IDICFTVUDWCVGB-IPJDOKCGSA-N 2 0 324.415 3.575 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2c(C)noc2C)cc1 ZINC000924586083 1030132092 /nfs/dbraw/zinc/13/20/92/1030132092.db2.gz SAOHROATPSFYHD-AWEZNQCLSA-N 2 0 315.461 3.984 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccnnc1 ZINC000924678590 1030158049 /nfs/dbraw/zinc/15/80/49/1030158049.db2.gz CPULWMFNJIVCJO-IAGOWNOFSA-N 2 0 324.472 3.559 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000866250322 1030179992 /nfs/dbraw/zinc/17/99/92/1030179992.db2.gz YLFCTKIIAKWVEZ-HXUWFJFHSA-N 2 0 311.473 3.687 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866261940 1030186394 /nfs/dbraw/zinc/18/63/94/1030186394.db2.gz YQWNRWPGNBECJU-OAQYLSRUSA-N 2 0 323.484 3.687 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000924955287 1030233072 /nfs/dbraw/zinc/23/30/72/1030233072.db2.gz NEWMCPLRTIPFSA-QGZVFWFLSA-N 2 0 322.880 3.623 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2CCCO)c1 ZINC000924959571 1030234578 /nfs/dbraw/zinc/23/45/78/1030234578.db2.gz POEWPQHMNZWCBF-PMACEKPBSA-N 2 0 318.505 3.559 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000358017567 1030282058 /nfs/dbraw/zinc/28/20/58/1030282058.db2.gz HNDRBCZMZNRDDH-IXDOHACOSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000358018826 1030283139 /nfs/dbraw/zinc/28/31/39/1030283139.db2.gz JPCVDFSTNMTBHG-VIPLHTEESA-N 2 0 316.489 3.574 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000925158973 1030289540 /nfs/dbraw/zinc/28/95/40/1030289540.db2.gz VYXARKZTKVXSMK-KRWDZBQOSA-N 3 0 317.521 3.521 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCc3nccs3)CC2)C1 ZINC000358043900 1030296527 /nfs/dbraw/zinc/29/65/27/1030296527.db2.gz WZZGICRUGUCMRJ-NVXWUHKLSA-N 2 0 321.534 3.708 20 0 DHADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925209236 1030306478 /nfs/dbraw/zinc/30/64/78/1030306478.db2.gz WQSHUWAUAYTTQG-LPHOPBHVSA-N 2 0 310.526 3.703 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358067215 1030307370 /nfs/dbraw/zinc/30/73/70/1030307370.db2.gz WZQQNGBYPLXQER-MGHWNKPDSA-N 2 0 322.880 3.632 20 0 DHADRP CCCCOCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000557885176 1030338643 /nfs/dbraw/zinc/33/86/43/1030338643.db2.gz OEVSGDVIKCHLHR-AZUAARDMSA-N 2 0 318.505 3.836 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925306675 1030341525 /nfs/dbraw/zinc/34/15/25/1030341525.db2.gz IRZQIAFSHVJFGP-INIZCTEOSA-N 2 0 317.521 3.662 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000866517772 1030341969 /nfs/dbraw/zinc/34/19/69/1030341969.db2.gz MNZILIJQOMBNIZ-ADKAHSJRSA-N 2 0 305.441 3.524 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000866516549 1030342293 /nfs/dbraw/zinc/34/22/93/1030342293.db2.gz BUSSAVHGQJXKAA-TVRKMHQQSA-N 2 0 318.509 3.884 20 0 DHADRP CC1(C)[C@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925542132 1030392075 /nfs/dbraw/zinc/39/20/75/1030392075.db2.gz NOGZZCZXXSNORI-SBJFKYEJSA-N 2 0 318.427 3.721 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1 ZINC000925544892 1030396839 /nfs/dbraw/zinc/39/68/39/1030396839.db2.gz BCUORJQTRNMTCE-SFHVURJKSA-N 2 0 304.384 3.577 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000533512232 1030397800 /nfs/dbraw/zinc/39/78/00/1030397800.db2.gz YHAVFMUAUWSXTI-LJQANCHMSA-N 2 0 319.468 3.576 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000925560191 1030403193 /nfs/dbraw/zinc/40/31/93/1030403193.db2.gz DRGYURPHOWFKCB-IBGZPJMESA-N 2 0 322.537 3.968 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1csc2ccccc12 ZINC000925600645 1030417299 /nfs/dbraw/zinc/41/72/99/1030417299.db2.gz HSOYUYOIUYIDFY-GYABFAJESA-N 2 0 300.471 3.549 20 0 DHADRP Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000533557516 1030425160 /nfs/dbraw/zinc/42/51/60/1030425160.db2.gz BFNYKXCYAAOJPQ-UHFFFAOYSA-N 2 0 304.453 3.914 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000925626946 1030425095 /nfs/dbraw/zinc/42/50/95/1030425095.db2.gz RYYCOEQBRVHZHO-KSZLIROESA-N 2 0 304.478 3.650 20 0 DHADRP Cc1cc(C[NH+](C)C)cc(N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925635249 1030428284 /nfs/dbraw/zinc/42/82/84/1030428284.db2.gz SYUZDDVXLFLGLA-HXUWFJFHSA-N 2 0 311.473 3.949 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000866717931 1030430844 /nfs/dbraw/zinc/43/08/44/1030430844.db2.gz UJVYURSJGKEEKQ-ZWKOTPCHSA-N 2 0 316.489 3.654 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C[C@@H]([NH3+])C1 ZINC000925648130 1030434681 /nfs/dbraw/zinc/43/46/81/1030434681.db2.gz PBDVCCAEVRGNJG-BDXSIMOUSA-N 2 0 320.452 3.541 20 0 DHADRP Cc1cnc([C@@H](C)C[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000925648706 1030435024 /nfs/dbraw/zinc/43/50/24/1030435024.db2.gz WZZQDRGPMQPCJZ-BBRMVZONSA-N 2 0 303.475 3.625 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](c3ccc(Cl)cc3)C1)[NH2+]2 ZINC000925653912 1030439415 /nfs/dbraw/zinc/43/94/15/1030439415.db2.gz CBLHFKLCMJJWBL-BLYMFVFMSA-N 2 0 304.865 3.705 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@@H](c3cccc(F)c3)C1)[NH2+]2 ZINC000925661780 1030446348 /nfs/dbraw/zinc/44/63/48/1030446348.db2.gz DOPONHMGXWWKFZ-TVVAWBNUSA-N 2 0 302.437 3.580 20 0 DHADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925681080 1030450578 /nfs/dbraw/zinc/45/05/78/1030450578.db2.gz VVJDDGBPHJXNGT-DQVOVIAYSA-N 2 0 310.551 3.666 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC(F)(F)F ZINC000925700183 1030457834 /nfs/dbraw/zinc/45/78/34/1030457834.db2.gz ZYARTAHEKQRGCO-QEJZJMRPSA-N 2 0 306.416 3.723 20 0 DHADRP c1ccc2c(CC[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)ccnc2c1 ZINC000925705094 1030458139 /nfs/dbraw/zinc/45/81/39/1030458139.db2.gz JJKCJCDYADNYFF-FPOVZHCZSA-N 2 0 323.484 3.535 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccccc1 ZINC000925701645 1030458487 /nfs/dbraw/zinc/45/84/87/1030458487.db2.gz CQLYWQSLHVTZRT-UXHICEINSA-N 2 0 323.484 3.873 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925718470 1030463114 /nfs/dbraw/zinc/46/31/14/1030463114.db2.gz WRAOMUWPDQQSHD-ZIAGYGMSSA-N 2 0 306.416 3.723 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC(C)(C)[NH3+] ZINC000925736858 1030471378 /nfs/dbraw/zinc/47/13/78/1030471378.db2.gz DLUGDKJZUFPROQ-AWEZNQCLSA-N 2 0 301.478 3.941 20 0 DHADRP COc1ccc(C2CC2)cc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925738155 1030472525 /nfs/dbraw/zinc/47/25/25/1030472525.db2.gz WAXTZPNNWYZJCY-OALUTQOASA-N 2 0 308.425 3.807 20 0 DHADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000925741515 1030474448 /nfs/dbraw/zinc/47/44/48/1030474448.db2.gz UCWWKZVQHNCSGY-AWEZNQCLSA-N 2 0 315.486 3.905 20 0 DHADRP CC(C)C[C@H](c1cccs1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925749230 1030477634 /nfs/dbraw/zinc/47/76/34/1030477634.db2.gz VXNSGNWMQLMFLX-CYBMUJFWSA-N 2 0 321.515 3.809 20 0 DHADRP Cc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)n1 ZINC000925767485 1030487213 /nfs/dbraw/zinc/48/72/13/1030487213.db2.gz VGMUCUKZVRVDFZ-IRXDYDNUSA-N 2 0 315.848 3.626 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1(c2ccccc2)CCCC1 ZINC000925777492 1030491766 /nfs/dbraw/zinc/49/17/66/1030491766.db2.gz PETLATKXZXXWOU-RDJZCZTQSA-N 2 0 322.443 3.721 20 0 DHADRP C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358456104 1030494129 /nfs/dbraw/zinc/49/41/29/1030494129.db2.gz AITDPHARXNEKLU-WMTDPASSSA-N 2 0 308.510 3.575 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000558245471 1030495160 /nfs/dbraw/zinc/49/51/60/1030495160.db2.gz IQFGOLILNUOQCR-SUJAAXHWSA-N 2 0 318.427 3.818 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925779645 1030495378 /nfs/dbraw/zinc/49/53/78/1030495378.db2.gz YTTJDUAGVQMPKY-XOKHGSTOSA-N 2 0 308.416 3.705 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000925787240 1030497785 /nfs/dbraw/zinc/49/77/85/1030497785.db2.gz ZKGCTELREWNFBI-HIFRSBDPSA-N 2 0 314.445 3.814 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1 ZINC000925805996 1030502570 /nfs/dbraw/zinc/50/25/70/1030502570.db2.gz NMZODTVLFDCTDT-LJQANCHMSA-N 2 0 309.457 3.530 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000558258924 1030503266 /nfs/dbraw/zinc/50/32/66/1030503266.db2.gz SVHJJNHIFHZGOZ-GPMSIDNRSA-N 2 0 304.478 3.507 20 0 DHADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000925807863 1030505362 /nfs/dbraw/zinc/50/53/62/1030505362.db2.gz KXOCOGNTZQUIGN-CQSZACIVSA-N 2 0 309.885 3.946 20 0 DHADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cccnc1Cl ZINC000925817005 1030508625 /nfs/dbraw/zinc/50/86/25/1030508625.db2.gz LLVGDDGYNJNJAO-AWEZNQCLSA-N 2 0 309.885 3.946 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cnc3ccccc3c2)c2ccccc21 ZINC000925830193 1030512206 /nfs/dbraw/zinc/51/22/06/1030512206.db2.gz CKYSJHVTRFJLOT-QUCCMNQESA-N 2 0 303.409 3.512 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925840819 1030516183 /nfs/dbraw/zinc/51/61/83/1030516183.db2.gz XRDXZQZWSHPERX-FBJPGRFESA-N 2 0 320.427 3.531 20 0 DHADRP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCS2 ZINC000925857722 1030521490 /nfs/dbraw/zinc/52/14/90/1030521490.db2.gz IALJBDGOCPPWMB-MWDXBVQZSA-N 2 0 308.535 3.705 20 0 DHADRP c1ccc2c(c1)cccc2OCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521669 1030523671 /nfs/dbraw/zinc/52/36/71/1030523671.db2.gz YKGLTKNSXPMOAZ-UHFFFAOYSA-N 2 0 324.468 3.684 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000925876872 1030528945 /nfs/dbraw/zinc/52/89/45/1030528945.db2.gz BNQQFBBMLQYTBU-OQKHSGFDSA-N 2 0 322.452 3.839 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1OCC ZINC000925875646 1030529297 /nfs/dbraw/zinc/52/92/97/1030529297.db2.gz KLSOEUBHOYTUDY-PVAVHDDUSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000925876873 1030530232 /nfs/dbraw/zinc/53/02/32/1030530232.db2.gz BNQQFBBMLQYTBU-RWCSOYMTSA-N 2 0 322.452 3.839 20 0 DHADRP CC[C@@H]1C[C@@H](C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000558416027 1030567386 /nfs/dbraw/zinc/56/73/86/1030567386.db2.gz IQUYAILTDVOXAC-VQTJNVASSA-N 2 0 318.505 3.775 20 0 DHADRP CC(C)c1ccc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000558418152 1030567635 /nfs/dbraw/zinc/56/76/35/1030567635.db2.gz PXLDCWCXKOSMND-YOFSQIOKSA-N 2 0 300.490 3.910 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423778 1030569878 /nfs/dbraw/zinc/56/98/78/1030569878.db2.gz RPGKNOGCJDHYEF-PZJWPPBQSA-N 2 0 321.468 3.665 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000558482810 1030598787 /nfs/dbraw/zinc/59/87/87/1030598787.db2.gz NIFCKBUZHDCBQM-BAAYTWLHSA-N 2 0 324.415 3.623 20 0 DHADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063662 1030624757 /nfs/dbraw/zinc/62/47/57/1030624757.db2.gz OAQLKLIDBKCNHL-CQSZACIVSA-N 2 0 315.288 3.912 20 0 DHADRP Cc1nc(C)c(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000246668948 1030644483 /nfs/dbraw/zinc/64/44/83/1030644483.db2.gz JJPICFVNJBQAFZ-RHSMWYFYSA-N 2 0 321.534 3.846 20 0 DHADRP CC(C)(CC[NH3+])[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246357855 1030660373 /nfs/dbraw/zinc/66/03/73/1030660373.db2.gz AXKNLGJYXDHSTH-GFCCVEGCSA-N 2 0 301.261 3.568 20 0 DHADRP CCOc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000246898873 1030661921 /nfs/dbraw/zinc/66/19/21/1030661921.db2.gz JPIHCVSNPOVVKP-IEBWSBKVSA-N 2 0 302.462 3.707 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CCOC1 ZINC000246947964 1030664312 /nfs/dbraw/zinc/66/43/12/1030664312.db2.gz HYXZLKVTDGQVGN-UWVAXJGDSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@@H](O)c1ccccc1 ZINC000926436083 1030738731 /nfs/dbraw/zinc/73/87/31/1030738731.db2.gz CQWCIOBDJQVFJB-RZQQEMMASA-N 2 0 312.457 3.521 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@H](O)c1ccccc1 ZINC000926436086 1030740481 /nfs/dbraw/zinc/74/04/81/1030740481.db2.gz CQWCIOBDJQVFJB-YRNRMSPPSA-N 2 0 312.457 3.521 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1C[C@@](C)([NH3+])C1 ZINC001246459448 1030787332 /nfs/dbraw/zinc/78/73/32/1030787332.db2.gz KFKKABINKICKFO-HCKVZZMMSA-N 2 0 301.261 3.784 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926557047 1030797939 /nfs/dbraw/zinc/79/79/39/1030797939.db2.gz GCTSQTULEVTHDS-NVXWUHKLSA-N 2 0 304.478 3.604 20 0 DHADRP Clc1ccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000122678307 1030805908 /nfs/dbraw/zinc/80/59/08/1030805908.db2.gz XBOUDVJHFMWIDM-UHFFFAOYSA-N 2 0 321.896 3.664 20 0 DHADRP C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926602241 1030823749 /nfs/dbraw/zinc/82/37/49/1030823749.db2.gz WXVCGDNIECMIAT-MGPUTAFESA-N 2 0 310.441 3.670 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171093812 1030864689 /nfs/dbraw/zinc/86/46/89/1030864689.db2.gz IMAWTKTYHSBZDQ-SFHVURJKSA-N 2 0 306.881 3.661 20 0 DHADRP COc1ccc(F)c(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926735169 1030894119 /nfs/dbraw/zinc/89/41/19/1030894119.db2.gz CYPIQIRRFGLMPI-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000237419793 1030900490 /nfs/dbraw/zinc/90/04/90/1030900490.db2.gz TZXLDDJZMPDBRY-DLBZAZTESA-N 2 0 300.490 3.817 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171096565 1030906451 /nfs/dbraw/zinc/90/64/51/1030906451.db2.gz UIORZEHWDMKOCO-KSSFIOAISA-N 2 0 306.881 3.519 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccnn2C2CCC2)CC1 ZINC000926788511 1030927485 /nfs/dbraw/zinc/92/74/85/1030927485.db2.gz DVSKBCCMLFYYLZ-MRXNPFEDSA-N 2 0 318.509 3.769 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc(C[NH+](C)C)c1 ZINC000926863142 1030959058 /nfs/dbraw/zinc/95/90/58/1030959058.db2.gz ZODOEWNIVAJCLT-IPELMVKDSA-N 2 0 302.462 3.501 20 0 DHADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1Oc1cccnc1 ZINC000844220994 1030997052 /nfs/dbraw/zinc/99/70/52/1030997052.db2.gz GPQDDBSBAPGXOG-AYHJJNSGSA-N 2 0 323.440 3.718 20 0 DHADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171112782 1031011174 /nfs/dbraw/zinc/01/11/74/1031011174.db2.gz MEYOWLDEZCRNPV-OKZBNKHCSA-N 2 0 306.881 3.660 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000897536158 1031020961 /nfs/dbraw/zinc/02/09/61/1031020961.db2.gz IXRQZIANHHYSTC-BWPNAZKDSA-N 2 0 322.537 3.560 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000927030376 1031041153 /nfs/dbraw/zinc/04/11/53/1031041153.db2.gz IHEGGLHQKRFENY-BFYDXBDKSA-N 2 0 322.518 3.562 20 0 DHADRP Cc1c([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cnn1C(C)C ZINC000927036907 1031045246 /nfs/dbraw/zinc/04/52/46/1031045246.db2.gz KQHGQVLGTXBCOD-DMKPSLHHSA-N 2 0 318.509 3.830 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000927038751 1031045883 /nfs/dbraw/zinc/04/58/83/1031045883.db2.gz QDJPKGBDQCKSHD-AVAKVYKDSA-N 2 0 302.437 3.810 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000292563072 1031077185 /nfs/dbraw/zinc/07/71/85/1031077185.db2.gz RTQYXCIWJQIJQR-QUCCMNQESA-N 2 0 316.489 3.570 20 0 DHADRP Fc1cccc(CC[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC000262017371 1031090671 /nfs/dbraw/zinc/09/06/71/1031090671.db2.gz VUPAUQKNFWDDBK-QGZVFWFLSA-N 2 0 304.453 3.612 20 0 DHADRP [NH3+]CC1CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246537690 1031187801 /nfs/dbraw/zinc/18/78/01/1031187801.db2.gz KBDUAWXMKCMTOC-AWEZNQCLSA-N 2 0 313.272 3.521 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000359936305 1031206557 /nfs/dbraw/zinc/20/65/57/1031206557.db2.gz RCNRRXCSGOPPTP-XLIONFOSSA-N 2 0 318.505 3.679 20 0 DHADRP Cc1c(O)cccc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001144115421 1031254368 /nfs/dbraw/zinc/25/43/68/1031254368.db2.gz GFTKACRZSPTEOJ-SFHVURJKSA-N 2 0 302.462 3.541 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171140522 1031256044 /nfs/dbraw/zinc/25/60/44/1031256044.db2.gz YNERTBBVXNPZHO-MJBXVCDLSA-N 2 0 313.272 3.710 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000455642233 1031259924 /nfs/dbraw/zinc/25/99/24/1031259924.db2.gz RGHMTIQXGSUNCH-VIFPVBQESA-N 2 0 305.224 3.783 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000844904188 1031390063 /nfs/dbraw/zinc/39/00/63/1031390063.db2.gz CZCUTGCQEGWCGK-CABCVRRESA-N 2 0 300.368 3.617 20 0 DHADRP FCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000777710222 1031392934 /nfs/dbraw/zinc/39/29/34/1031392934.db2.gz XGTPILZQJCLSOW-PKOBYXMFSA-N 2 0 302.437 3.605 20 0 DHADRP C[C@@H]1CC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000379635983 1031417612 /nfs/dbraw/zinc/41/76/12/1031417612.db2.gz WQBZORRLTLTGBZ-DODZYUBVSA-N 2 0 316.489 3.585 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC000379635984 1031417639 /nfs/dbraw/zinc/41/76/39/1031417639.db2.gz WQBZORRLTLTGBZ-HPUSYDDDSA-N 2 0 316.489 3.585 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000360430055 1031425130 /nfs/dbraw/zinc/42/51/30/1031425130.db2.gz VTDOBSSJKHMIEE-QFBILLFUSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666856480 1031432521 /nfs/dbraw/zinc/43/25/21/1031432521.db2.gz LBWXBLDIHNZFGG-SFHVURJKSA-N 2 0 310.441 3.594 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000536837437 1031448310 /nfs/dbraw/zinc/44/83/10/1031448310.db2.gz GOMPAWXZZOCMNL-DOTOQJQBSA-N 2 0 304.478 3.856 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000536856181 1031456990 /nfs/dbraw/zinc/45/69/90/1031456990.db2.gz DIPGCIDCMKIWFY-LJQANCHMSA-N 2 0 306.494 3.678 20 0 DHADRP COc1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)C(C)C)cc1 ZINC000536962142 1031477370 /nfs/dbraw/zinc/47/73/70/1031477370.db2.gz CEUPERIRJYEUFI-LJQANCHMSA-N 2 0 304.478 3.858 20 0 DHADRP COCC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000872105767 1031495972 /nfs/dbraw/zinc/49/59/72/1031495972.db2.gz LTWHIMQQWRWTQR-AEFFLSMTSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000293527448 1031499913 /nfs/dbraw/zinc/49/99/13/1031499913.db2.gz PDAAYTPLBMLSJU-UHFFFAOYSA-N 2 0 303.494 3.677 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)C1 ZINC000872110238 1031501214 /nfs/dbraw/zinc/50/12/14/1031501214.db2.gz WZNJHWVTNCWSMU-CJGGRQNCSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156045 1031535083 /nfs/dbraw/zinc/53/50/83/1031535083.db2.gz DCDPFXQITHSGKS-JTDSTZFVSA-N 2 0 301.478 3.762 20 0 DHADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156007 1031535835 /nfs/dbraw/zinc/53/58/35/1031535835.db2.gz CJHGQAUHHVQAPS-RYRKJORJSA-N 2 0 301.478 3.762 20 0 DHADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCCc2ccncc2)C1)C1CCCC1 ZINC000872157173 1031536246 /nfs/dbraw/zinc/53/62/46/1031536246.db2.gz NHYSFGZCUDTRBR-QUCCMNQESA-N 2 0 315.505 3.634 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000537204441 1031539591 /nfs/dbraw/zinc/53/95/91/1031539591.db2.gz PHZKCRXNBQCONY-QUCCMNQESA-N 2 0 316.489 3.638 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857888 1031541896 /nfs/dbraw/zinc/54/18/96/1031541896.db2.gz OIUDFATVLYFSHU-BBRMVZONSA-N 2 0 314.395 3.758 20 0 DHADRP C[N@H+](CCCC(C)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929754420 1031596733 /nfs/dbraw/zinc/59/67/33/1031596733.db2.gz NXTKXHZVROUVEZ-KRWDZBQOSA-N 2 0 310.432 3.876 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929777113 1031605110 /nfs/dbraw/zinc/60/51/10/1031605110.db2.gz AJIZIEBHKFUTIO-CGTJXYLNSA-N 2 0 322.443 3.699 20 0 DHADRP COCCN(C)CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000360944600 1031636020 /nfs/dbraw/zinc/63/60/20/1031636020.db2.gz NZZSILQHCXJBID-SXLOBPIMSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@H](CCc1ccsc1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000360956687 1031644610 /nfs/dbraw/zinc/64/46/10/1031644610.db2.gz VYZWBJVEXZPSCV-IKGGRYGDSA-N 2 0 324.534 3.548 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000282074939 1031729382 /nfs/dbraw/zinc/72/93/82/1031729382.db2.gz HHZYXXNCYHLACG-YLJYHZDGSA-N 2 0 318.505 3.822 20 0 DHADRP c1csc([C@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873200911 1031757408 /nfs/dbraw/zinc/75/74/08/1031757408.db2.gz NLQVHXWAMUVINZ-CQSZACIVSA-N 2 0 304.484 3.792 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212799 1031759892 /nfs/dbraw/zinc/75/98/92/1031759892.db2.gz AFPBGXIXJFCMPU-ZDUSSCGKSA-N 2 0 316.470 3.562 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873211806 1031760238 /nfs/dbraw/zinc/76/02/38/1031760238.db2.gz BQPBYRPKHOOOKH-MRXNPFEDSA-N 2 0 318.873 3.824 20 0 DHADRP CSc1cc(C)ccc1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211456 1031760256 /nfs/dbraw/zinc/76/02/56/1031760256.db2.gz NSLHMOSYZNJKHH-UHFFFAOYSA-N 2 0 318.511 3.714 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1cnc(-c2cccs2)s1 ZINC000873231344 1031763340 /nfs/dbraw/zinc/76/33/40/1031763340.db2.gz GPJYERKUKUGGIY-UHFFFAOYSA-N 2 0 309.504 3.823 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)ccc2n1 ZINC000873223343 1031764000 /nfs/dbraw/zinc/76/40/00/1031764000.db2.gz KRUQINZLFVLRML-FQEVSTJZSA-N 2 0 311.473 3.740 20 0 DHADRP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc2cc[nH]c2c1 ZINC000873224913 1031764559 /nfs/dbraw/zinc/76/45/59/1031764559.db2.gz KMOGGINWRKBTMV-UHFFFAOYSA-N 2 0 311.454 3.507 20 0 DHADRP COCc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000873231692 1031767528 /nfs/dbraw/zinc/76/75/28/1031767528.db2.gz AENDFPMEFJYNLL-HNAYVOBHSA-N 2 0 320.477 3.546 20 0 DHADRP FC(F)(F)CCSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000873249399 1031771345 /nfs/dbraw/zinc/77/13/45/1031771345.db2.gz ACSGHIKZNTYTSO-BFHYXJOUSA-N 2 0 324.456 3.572 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCSCCC(F)(F)F ZINC000873252961 1031775908 /nfs/dbraw/zinc/77/59/08/1031775908.db2.gz SYPGRPHZAPOWMQ-OLZOCXBDSA-N 2 0 312.445 3.572 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000873258153 1031776229 /nfs/dbraw/zinc/77/62/29/1031776229.db2.gz XHQVHKPVEQPECR-KCPJHIHWSA-N 2 0 300.368 3.729 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000873258646 1031776603 /nfs/dbraw/zinc/77/66/03/1031776603.db2.gz TYBOKTOFCKJJLT-DDWPSWQVSA-N 2 0 312.379 3.668 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000873258151 1031778037 /nfs/dbraw/zinc/77/80/37/1031778037.db2.gz XHQVHKPVEQPECR-CQDKDKBSSA-N 2 0 300.368 3.729 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000873268641 1031782173 /nfs/dbraw/zinc/78/21/73/1031782173.db2.gz YFGUGAPNYWYCLA-BFHYXJOUSA-N 2 0 317.502 3.766 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CCCS2 ZINC000873270322 1031782716 /nfs/dbraw/zinc/78/27/16/1031782716.db2.gz ZPFAPKZHNRFVLA-CXAGYDPISA-N 2 0 320.502 3.600 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000873270471 1031783892 /nfs/dbraw/zinc/78/38/92/1031783892.db2.gz VBAJHSFGXXPGJT-NWDGAFQWSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC[NH2+]CC1 ZINC000873271257 1031784748 /nfs/dbraw/zinc/78/47/48/1031784748.db2.gz GEQUOTRAIOHNED-INIZCTEOSA-N 3 0 323.569 3.643 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3cc(N)cc(F)c3)CC2)C1 ZINC000873286994 1031786662 /nfs/dbraw/zinc/78/66/62/1031786662.db2.gz AJGDUYHKMQBPPV-LIRRHRJNSA-N 2 0 319.468 3.541 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000873281497 1031788184 /nfs/dbraw/zinc/78/81/84/1031788184.db2.gz KALDCHVRSNGYRV-FRRDWIJNSA-N 2 0 318.408 3.777 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000561314217 1031816289 /nfs/dbraw/zinc/81/62/89/1031816289.db2.gz FTDAFWMGKKSTSP-NMLACTOBSA-N 2 0 316.489 3.651 20 0 DHADRP C[N@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460348 1031828731 /nfs/dbraw/zinc/82/87/31/1031828731.db2.gz NTPKJQQDQKSSJY-ZFHLEULCSA-N 2 0 320.427 3.592 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c(F)c1 ZINC000897882716 1031868031 /nfs/dbraw/zinc/86/80/31/1031868031.db2.gz TTYGMSDUQMHXFO-CZIWCDLHSA-N 2 0 320.427 3.675 20 0 DHADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000361387079 1031901318 /nfs/dbraw/zinc/90/13/18/1031901318.db2.gz SKIDPKKEAISUNY-IRXDYDNUSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)O[C@H](CN1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000897982541 1031910570 /nfs/dbraw/zinc/91/05/70/1031910570.db2.gz NGUZLMPLBMUINO-HXUWFJFHSA-N 2 0 316.489 3.759 20 0 DHADRP CC[N@H+](CCC[NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000846181930 1031912576 /nfs/dbraw/zinc/91/25/76/1031912576.db2.gz JDUBELPDZHTVIS-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP [NH3+]CCCCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000846221259 1031932584 /nfs/dbraw/zinc/93/25/84/1031932584.db2.gz VPVPPRDARJBAFZ-UHFFFAOYSA-N 2 0 319.424 3.665 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846219190 1031934801 /nfs/dbraw/zinc/93/48/01/1031934801.db2.gz JUHPPDLYBORWPJ-SJORKVTESA-N 2 0 324.534 3.935 20 0 DHADRP CCCC[N@H+](C[C@H]1C[C@]12CCOC2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033931 1032015723 /nfs/dbraw/zinc/01/57/23/1032015723.db2.gz MVRASKCYHTYOAV-UZLBHIALSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000105452101 1032041794 /nfs/dbraw/zinc/04/17/94/1032041794.db2.gz YZUXRMHEZNMQKT-HNNXBMFYSA-N 2 0 300.421 3.781 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000539204050 1033295636 /nfs/dbraw/zinc/29/56/36/1033295636.db2.gz YOWLCGAKMQIOSO-BEFAXECRSA-N 2 0 304.453 3.988 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172653794 1033305223 /nfs/dbraw/zinc/30/52/23/1033305223.db2.gz ORKJLLWWQJBDAW-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CC[PH+](C(C)C)C(C)C)CC1 ZINC001172784952 1033369201 /nfs/dbraw/zinc/36/92/01/1033369201.db2.gz YDEJFWHLRHKENF-HOTGVXAUSA-N 2 0 315.438 3.997 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccc1N(C)C ZINC000477927387 1033370573 /nfs/dbraw/zinc/37/05/73/1033370573.db2.gz KKWXVUHHEFVWRQ-MRXNPFEDSA-N 2 0 303.494 3.525 20 0 DHADRP CC(C)(C[NH2+][C@H](Cc1ccccc1)C1CC1)C[NH+]1CCCC1 ZINC000477933617 1033373764 /nfs/dbraw/zinc/37/37/64/1033373764.db2.gz SXXKZINUXBOIFY-LJQANCHMSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC(C)(C)C[NH+](C)C ZINC001172841802 1033413193 /nfs/dbraw/zinc/41/31/93/1033413193.db2.gz MROJJYSYXKOIJI-LBPRGKRZSA-N 2 0 300.849 3.588 20 0 DHADRP C[NH+]1CCC2(C[NH+](C3CCC(Cc4ccccc4)CC3)C2)CC1 ZINC001172825180 1033388030 /nfs/dbraw/zinc/38/80/30/1033388030.db2.gz QPHHHWWNMZCPPE-UHFFFAOYSA-N 2 0 312.501 3.816 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CC(C)C)CC1)CC2 ZINC001172832714 1033394926 /nfs/dbraw/zinc/39/49/26/1033394926.db2.gz UJCRBUWMHCLEGK-OAQYLSRUSA-N 2 0 314.517 3.810 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036568 1033403752 /nfs/dbraw/zinc/40/37/52/1033403752.db2.gz CYSJTTIJCARAOW-VNCLNFNDSA-N 2 0 304.453 3.753 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCCC[NH+](C)C ZINC001172838604 1033409378 /nfs/dbraw/zinc/40/93/78/1033409378.db2.gz YADOHGZMPWARLR-ZDUSSCGKSA-N 2 0 300.849 3.732 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc3ccccc3c1)CC2 ZINC000877684651 1033410057 /nfs/dbraw/zinc/41/00/57/1033410057.db2.gz RRVZFZDUZWMCTO-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCC[NH+]1CCCCC1 ZINC001172842205 1033413183 /nfs/dbraw/zinc/41/31/83/1033413183.db2.gz PSDGRILIYRRHSD-CQSZACIVSA-N 2 0 312.860 3.876 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccccc2)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000877718831 1033421479 /nfs/dbraw/zinc/42/14/79/1033421479.db2.gz VOBZGMIWXJBYFW-HNNXBMFYSA-N 2 0 322.443 3.673 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001172863381 1033431614 /nfs/dbraw/zinc/43/16/14/1033431614.db2.gz NDLHFKQZSVVOPV-BQDHKBFISA-N 2 0 310.844 3.625 20 0 DHADRP Cc1ccc2[nH+]c(N)n(-c3ccc(C4CC[NH+](C)CC4)cc3)c2c1 ZINC001212687821 1033440567 /nfs/dbraw/zinc/44/05/67/1033440567.db2.gz OISMHPQIJSLIAZ-UHFFFAOYSA-N 2 0 320.440 3.725 20 0 DHADRP Cc1ccc(CCC[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cn1 ZINC000877767862 1033442542 /nfs/dbraw/zinc/44/25/42/1033442542.db2.gz XMSBPXUWXVEJIZ-UHFFFAOYSA-N 2 0 317.521 3.622 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001172927779 1033472846 /nfs/dbraw/zinc/47/28/46/1033472846.db2.gz ZWJCJJGZYHXVKI-UXHICEINSA-N 2 0 322.537 3.826 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001172930275 1033474373 /nfs/dbraw/zinc/47/43/73/1033474373.db2.gz RKANRDNHLQFCCS-DLBZAZTESA-N 2 0 322.880 3.547 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536381 1033475584 /nfs/dbraw/zinc/47/55/84/1033475584.db2.gz QAQOXTJRLFMORX-ROUUACIJSA-N 2 0 309.457 3.585 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCS2 ZINC000643537014 1033475928 /nfs/dbraw/zinc/47/59/28/1033475928.db2.gz YALVJXNAIJDMLP-ZBFHGGJFSA-N 2 0 322.905 3.999 20 0 DHADRP CC[NH+]1CCC(CC2CC[NH+]([C@H]3CCC[C@@H](OC)C3)CC2)CC1 ZINC001172950288 1033490271 /nfs/dbraw/zinc/49/02/71/1033490271.db2.gz MFRKNZKSAZKUFW-VQTJNVASSA-N 2 0 322.537 3.778 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173039890 1033504423 /nfs/dbraw/zinc/50/44/23/1033504423.db2.gz RXXOKORMFOMONB-QZTJIDSGSA-N 2 0 322.537 3.683 20 0 DHADRP CC1([NH+]2CCCC2)CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173049429 1033512608 /nfs/dbraw/zinc/51/26/08/1033512608.db2.gz QXJOWJSBNDLESE-UHFFFAOYSA-N 2 0 320.521 3.676 20 0 DHADRP CCCOC1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC001173094780 1033523096 /nfs/dbraw/zinc/52/30/96/1033523096.db2.gz UMEMEUVGIVPHAC-UHFFFAOYSA-N 2 0 308.510 3.721 20 0 DHADRP CCCOC1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001173094373 1033524008 /nfs/dbraw/zinc/52/40/08/1033524008.db2.gz WJMXKCLULYTCLO-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC(F)F ZINC000152452589 1033524555 /nfs/dbraw/zinc/52/45/55/1033524555.db2.gz KFTLBNKEKOAYHL-CZUORRHYSA-N 2 0 324.415 3.813 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC001173103038 1033541066 /nfs/dbraw/zinc/54/10/66/1033541066.db2.gz GBWYCCRDKAMYGW-LADRWXRNSA-N 2 0 301.478 3.702 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC001173103946 1033541182 /nfs/dbraw/zinc/54/11/82/1033541182.db2.gz XJVJCVGDPLJXJJ-IOJLRTSASA-N 2 0 300.490 3.787 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)c2cnc3ccccn32)CC1 ZINC001173104300 1033542856 /nfs/dbraw/zinc/54/28/56/1033542856.db2.gz HAQJHSJHSGBPOD-KLAILNCOSA-N 2 0 314.477 3.638 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC001173106735 1033543373 /nfs/dbraw/zinc/54/33/73/1033543373.db2.gz CIAICUQJSASPOF-FAFZWHIHSA-N 2 0 302.462 3.501 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(F)cc2OC)CC1 ZINC001173104818 1033543655 /nfs/dbraw/zinc/54/36/55/1033543655.db2.gz WSHUBXSSTICTAH-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000877988535 1033543875 /nfs/dbraw/zinc/54/38/75/1033543875.db2.gz HPRWQQGWOQASJP-VQTJNVASSA-N 2 0 316.489 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCCc3ccncc32)CC1 ZINC001173108198 1033545423 /nfs/dbraw/zinc/54/54/23/1033545423.db2.gz FUXFYXZUTMSGCM-TVPLGVNVSA-N 2 0 301.478 3.702 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCOc3cc(F)ccc32)CC1 ZINC001173107135 1033545513 /nfs/dbraw/zinc/54/55/13/1033545513.db2.gz GYSKOFSHAAZPSG-HTWSVDAQSA-N 2 0 320.452 3.892 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001173110574 1033546331 /nfs/dbraw/zinc/54/63/31/1033546331.db2.gz OZIINTFYXWNFAT-IPJUCJBFSA-N 2 0 318.505 3.869 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)C[C@H]2Cc3ccccc3O2)CC1 ZINC001173115498 1033550845 /nfs/dbraw/zinc/55/08/45/1033550845.db2.gz DFNXQDBDPYWAEG-CTWPCTMYSA-N 2 0 316.489 3.575 20 0 DHADRP c1ccc(OC2CCC([NH2+]CCCC[NH+]3CCCC3)CC2)cc1 ZINC001173195424 1033587991 /nfs/dbraw/zinc/58/79/91/1033587991.db2.gz PINFJWJXAIXBJN-UHFFFAOYSA-N 2 0 316.489 3.842 20 0 DHADRP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C1 ZINC001173270210 1033641158 /nfs/dbraw/zinc/64/11/58/1033641158.db2.gz MJCZELAHZPVDKH-QAPCUYQASA-N 2 0 304.453 3.740 20 0 DHADRP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(OC)cc3)CC2)C1 ZINC001173273952 1033643251 /nfs/dbraw/zinc/64/32/51/1033643251.db2.gz HWJYMQXOXFUMAV-DOTOQJQBSA-N 2 0 302.462 3.524 20 0 DHADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CC[C@H](CC)C2)CC1 ZINC001173285429 1033676992 /nfs/dbraw/zinc/67/69/92/1033676992.db2.gz VWOGMMIAASCTIJ-PMACEKPBSA-N 2 0 323.569 3.695 20 0 DHADRP CCSC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001173291043 1033682717 /nfs/dbraw/zinc/68/27/17/1033682717.db2.gz JRPAGGOIDXQPJB-GDAAHCPNSA-N 2 0 318.530 3.628 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1(C)C ZINC001173478764 1033736992 /nfs/dbraw/zinc/73/69/92/1033736992.db2.gz WSQACPMEZRXZKL-UHFFFAOYSA-N 2 0 322.443 3.673 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001173544163 1033762469 /nfs/dbraw/zinc/76/24/69/1033762469.db2.gz PUTGQNGYDAXDJM-OCCSQVGLSA-N 2 0 315.288 3.856 20 0 DHADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479553796 1033808734 /nfs/dbraw/zinc/80/87/34/1033808734.db2.gz KPJSOEBZGOSMGB-SOAGJPPSSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@@H](CN1CCCC1)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687335 1033829563 /nfs/dbraw/zinc/82/95/63/1033829563.db2.gz KUFJTGGXHIWMOD-OCDPCBSRSA-N 2 0 312.501 3.887 20 0 DHADRP COCc1cccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000479603070 1033832188 /nfs/dbraw/zinc/83/21/88/1033832188.db2.gz QHDCZKGAWPUIKG-UHFFFAOYSA-N 2 0 318.505 3.967 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173689273 1033833678 /nfs/dbraw/zinc/83/36/78/1033833678.db2.gz QQKRBEAFAJEHKJ-UHFFFAOYSA-N 2 0 314.517 3.991 20 0 DHADRP CCC(CC)n1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879250362 1033965638 /nfs/dbraw/zinc/96/56/38/1033965638.db2.gz RPSMDLUNYKLKQC-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP c1ccc(C[N@@H+]2Cc3ccc(Nc4cc[nH+]cc4)cc3C2)cc1 ZINC001173883806 1033966179 /nfs/dbraw/zinc/96/61/79/1033966179.db2.gz UHDOUVRGFMOKFU-UHFFFAOYSA-N 2 0 301.393 3.763 20 0 DHADRP COC1(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCC1 ZINC000339050694 1033987983 /nfs/dbraw/zinc/98/79/83/1033987983.db2.gz JNXYIAYRUHPTOJ-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP CC(C)C[N@H+](C[C@H]1CCC(F)(F)C1)CC1CC[NH+](C)CC1 ZINC000879703180 1034092869 /nfs/dbraw/zinc/09/28/69/1034092869.db2.gz FJFBOWKHJPRXOO-INIZCTEOSA-N 2 0 302.453 3.722 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)c1 ZINC000554350394 1034108170 /nfs/dbraw/zinc/10/81/70/1034108170.db2.gz HHOWTDDTGHHGQP-QZTJIDSGSA-N 2 0 304.503 3.738 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863544842 1034123473 /nfs/dbraw/zinc/12/34/73/1034123473.db2.gz CNQGTSCBYKSPQA-IUODEOHRSA-N 2 0 307.388 3.644 20 0 DHADRP C[C@H](NCC1([NH3+])CCOCC1)c1ccccc1SC(C)(C)C ZINC000863542774 1034124045 /nfs/dbraw/zinc/12/40/45/1034124045.db2.gz ZBISIHYXQNAYOP-AWEZNQCLSA-N 2 0 322.518 3.736 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546722 1034126836 /nfs/dbraw/zinc/12/68/36/1034126836.db2.gz NGXUIMDROZYJGT-CABCVRRESA-N 2 0 307.388 3.786 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000863558107 1034127000 /nfs/dbraw/zinc/12/70/00/1034127000.db2.gz WCYRYRZCCJGICA-UHFFFAOYSA-N 2 0 300.368 3.583 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)C(C)C ZINC000480261379 1034150276 /nfs/dbraw/zinc/15/02/76/1034150276.db2.gz HNODFUHZDVRHFX-FQEVSTJZSA-N 2 0 318.505 3.679 20 0 DHADRP COC1(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCCC1 ZINC000480283128 1034174021 /nfs/dbraw/zinc/17/40/21/1034174021.db2.gz NABLKKDRSHWTFD-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH2+]C[C@H](O)c1cccc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)c1 ZINC000863690029 1034175951 /nfs/dbraw/zinc/17/59/51/1034175951.db2.gz IRJIHRURYVSOHG-KKSFZXQISA-N 2 0 324.468 3.591 20 0 DHADRP Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667656808 1034192627 /nfs/dbraw/zinc/19/26/27/1034192627.db2.gz RQXYFMNJABCBPS-KRWDZBQOSA-N 2 0 320.440 3.639 20 0 DHADRP COC1(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCCCC1 ZINC000480339212 1034203788 /nfs/dbraw/zinc/20/37/88/1034203788.db2.gz FAFFNENYIJFSME-UHFFFAOYSA-N 2 0 318.505 3.966 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccncc3s2)C[C@H]1C ZINC000667664809 1034217962 /nfs/dbraw/zinc/21/79/62/1034217962.db2.gz SXTCWELCGFXOIY-HIFRSBDPSA-N 2 0 303.475 3.601 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000178414967 1034234078 /nfs/dbraw/zinc/23/40/78/1034234078.db2.gz PRXRLNWCUYUIML-QGZVFWFLSA-N 2 0 309.457 3.885 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000178414959 1034235171 /nfs/dbraw/zinc/23/51/71/1034235171.db2.gz PRXRLNWCUYUIML-KRWDZBQOSA-N 2 0 309.457 3.885 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000864055305 1034280126 /nfs/dbraw/zinc/28/01/26/1034280126.db2.gz MTSXHJIKKAZLGJ-NSHDSACASA-N 2 0 306.397 3.635 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000554734270 1034293275 /nfs/dbraw/zinc/29/32/75/1034293275.db2.gz IDRMPFYMPQXYKS-IERDGZPVSA-N 2 0 324.468 3.965 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000480608328 1034339175 /nfs/dbraw/zinc/33/91/75/1034339175.db2.gz HKIASROTOVRIIR-KXBFYZLASA-N 2 0 304.453 3.915 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000480608224 1034339928 /nfs/dbraw/zinc/33/99/28/1034339928.db2.gz BYVJWZLHZHSVFF-DNVCBOLYSA-N 2 0 304.453 3.915 20 0 DHADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000480606845 1034350470 /nfs/dbraw/zinc/35/04/70/1034350470.db2.gz IPLLUXPSLYMFNP-IXDOHACOSA-N 2 0 316.489 3.735 20 0 DHADRP CSC1(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000554862737 1034370566 /nfs/dbraw/zinc/37/05/66/1034370566.db2.gz QGGRZQCUOGHNJH-FUHWJXTLSA-N 2 0 318.530 3.772 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000554880587 1034398277 /nfs/dbraw/zinc/39/82/77/1034398277.db2.gz KXDMQHKIRSJGPK-QGZVFWFLSA-N 2 0 308.416 3.788 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3([C@@H]4CCCCO4)CC3)CC2)C1 ZINC000927161712 1034399078 /nfs/dbraw/zinc/39/90/78/1034399078.db2.gz QZNRSZTYOPXLLW-NEWSRXKRSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184301489 1034463081 /nfs/dbraw/zinc/46/30/81/1034463081.db2.gz LQLIWZHUFWCESG-SFHVURJKSA-N 2 0 323.484 3.953 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185466096 1034552486 /nfs/dbraw/zinc/55/24/86/1034552486.db2.gz AKRNHRYASBXOQI-UHFFFAOYSA-N 2 0 316.420 3.661 20 0 DHADRP Fc1ccc(SCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072766 1034593586 /nfs/dbraw/zinc/59/35/86/1034593586.db2.gz ZAQRMTRPUAQMKN-HOTGVXAUSA-N 2 0 308.466 3.524 20 0 DHADRP Fc1ccc(SCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339072768 1034593864 /nfs/dbraw/zinc/59/38/64/1034593864.db2.gz ZAQRMTRPUAQMKN-HZPDHXFCSA-N 2 0 308.466 3.524 20 0 DHADRP Fc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cnc1Cl ZINC000865461308 1034659518 /nfs/dbraw/zinc/65/95/18/1034659518.db2.gz VKWQTYYRQYRFBS-UHFFFAOYSA-N 2 0 313.848 3.620 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000187360941 1034703793 /nfs/dbraw/zinc/70/37/93/1034703793.db2.gz HBNOOQILGBGXDQ-QRWLVFNGSA-N 2 0 311.473 3.705 20 0 DHADRP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000481440627 1034832012 /nfs/dbraw/zinc/83/20/12/1034832012.db2.gz VFXQGTAJXMALDS-SFHVURJKSA-N 2 0 304.865 3.934 20 0 DHADRP Clc1cccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157563360 1034934717 /nfs/dbraw/zinc/93/47/17/1034934717.db2.gz DFSTWUDCDJORPA-ZLGJRNTRSA-N 2 0 304.865 3.802 20 0 DHADRP CN(C)c1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001175362284 1034953059 /nfs/dbraw/zinc/95/30/59/1034953059.db2.gz JMJKJABPTGSQKP-UHFFFAOYSA-N 2 0 310.445 3.877 20 0 DHADRP CC[C@@H](COC)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481732204 1034955882 /nfs/dbraw/zinc/95/58/82/1034955882.db2.gz FIGKBSMJBYKBJQ-IBGZPJMESA-N 2 0 304.478 3.577 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000482014527 1035043141 /nfs/dbraw/zinc/04/31/41/1035043141.db2.gz GRUILQNJTONWJE-YLJYHZDGSA-N 2 0 300.490 3.529 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000482117273 1035057483 /nfs/dbraw/zinc/05/74/83/1035057483.db2.gz CJABSFDGFASKLN-SJORKVTESA-N 2 0 324.534 3.611 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCC2(CCC2)O1 ZINC001175686374 1035085029 /nfs/dbraw/zinc/08/50/29/1035085029.db2.gz DAQSVIDZVPWWIM-GOSISDBHSA-N 2 0 308.510 3.676 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000482515739 1035124721 /nfs/dbraw/zinc/12/47/21/1035124721.db2.gz YNNLALPXGOLPAP-IFXJQAMLSA-N 2 0 304.453 3.771 20 0 DHADRP Fc1cccc(C[C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000482688544 1035162766 /nfs/dbraw/zinc/16/27/66/1035162766.db2.gz DGQLRVVJXBRTGG-LJQANCHMSA-N 2 0 304.453 3.709 20 0 DHADRP CO[C@@H](C[NH+]1CCC(C)([NH+]2CCCCC2)CC1)C1CCCC1 ZINC001175965444 1035168883 /nfs/dbraw/zinc/16/88/83/1035168883.db2.gz IAIISPZWKLSNGK-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CC(C)CCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973609 1035171530 /nfs/dbraw/zinc/17/15/30/1035171530.db2.gz PBYNAPWBIFHXLO-VQTJNVASSA-N 2 0 300.490 3.877 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000924781327 1035183664 /nfs/dbraw/zinc/18/36/64/1035183664.db2.gz CYDPWNWDHZEIJW-SFHVURJKSA-N 2 0 323.484 3.514 20 0 DHADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(Cl)c2Cl)C1 ZINC000163225222 1035299422 /nfs/dbraw/zinc/29/94/22/1035299422.db2.gz KJYYMSKYPXGBPU-RYUDHWBXSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000484313886 1035329554 /nfs/dbraw/zinc/32/95/54/1035329554.db2.gz VCFHETPFZZKWTF-MRLBHPIUSA-N 2 0 306.416 3.673 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000194865593 1035335425 /nfs/dbraw/zinc/33/54/25/1035335425.db2.gz KMILAXKFTISTAS-QGZVFWFLSA-N 2 0 324.468 3.955 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000484491578 1035342013 /nfs/dbraw/zinc/34/20/13/1035342013.db2.gz ZVPZYCVOKZOYEB-RYPNDVFKSA-N 2 0 306.416 3.673 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000484500887 1035347401 /nfs/dbraw/zinc/34/74/01/1035347401.db2.gz ICQGTZVEGVETHJ-LAUBAEHRSA-N 2 0 308.469 3.826 20 0 DHADRP CCCCOc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206292875 1035348438 /nfs/dbraw/zinc/34/84/38/1035348438.db2.gz DZSIJONKSKOCBG-IBGZPJMESA-N 2 0 304.478 3.816 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001177290902 1035360028 /nfs/dbraw/zinc/36/00/28/1035360028.db2.gz YOZGNFUKLOIDPV-GASCZTMLSA-N 2 0 310.432 3.813 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001206303621 1035369512 /nfs/dbraw/zinc/36/95/12/1035369512.db2.gz DZYAIUHNOBILBH-HNNXBMFYSA-N 2 0 318.358 3.795 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C[NH+]1CCCCC1 ZINC001177416593 1035369630 /nfs/dbraw/zinc/36/96/30/1035369630.db2.gz TUZCKWHBWPCIPU-YZGWKJHDSA-N 2 0 322.537 3.683 20 0 DHADRP CCO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001177581213 1035381878 /nfs/dbraw/zinc/38/18/78/1035381878.db2.gz KLJVLMPCLIAVAV-PMACEKPBSA-N 2 0 322.537 3.968 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2CCC3)c1 ZINC001177737906 1035390566 /nfs/dbraw/zinc/39/05/66/1035390566.db2.gz ZEJGSQUCGMAXNP-UHFFFAOYSA-N 2 0 308.469 3.917 20 0 DHADRP Fc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1C(F)F ZINC000904299539 1035397189 /nfs/dbraw/zinc/39/71/89/1035397189.db2.gz HDSYWHBETVFABL-INIZCTEOSA-N 2 0 312.379 3.727 20 0 DHADRP COc1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](c1ccccc1)C2 ZINC000904326745 1035400717 /nfs/dbraw/zinc/40/07/17/1035400717.db2.gz RODXWXWRZDRKCF-MFMILTCTSA-N 2 0 322.452 3.532 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904362245 1035404287 /nfs/dbraw/zinc/40/42/87/1035404287.db2.gz KCKTXVOVQSUWOI-YGONEPDPSA-N 2 0 315.486 3.815 20 0 DHADRP CCOc1ccc([C@H]([NH2+]C2CC(C[NH3+])C2)c2ccccc2)cc1 ZINC000904368395 1035406420 /nfs/dbraw/zinc/40/64/20/1035406420.db2.gz RABGLHUKFMCFDT-PKUWUEBNSA-N 2 0 310.441 3.502 20 0 DHADRP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)s2)cc1 ZINC000904411454 1035411578 /nfs/dbraw/zinc/41/15/78/1035411578.db2.gz NIMLRPWYUBGUJJ-ZBFHGGJFSA-N 2 0 315.486 3.535 20 0 DHADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195133328 1035414671 /nfs/dbraw/zinc/41/46/71/1035414671.db2.gz KARVXEXJAQGFDI-IEBWSBKVSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000195134495 1035414818 /nfs/dbraw/zinc/41/48/18/1035414818.db2.gz VCJHQKZPAVJACA-NVXWUHKLSA-N 2 0 300.471 3.921 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000195138128 1035415858 /nfs/dbraw/zinc/41/58/58/1035415858.db2.gz DNMPEGNOXTWWNG-SJLPKXTDSA-N 2 0 312.432 3.998 20 0 DHADRP CC(C)(C)c1cnc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000904444025 1035416181 /nfs/dbraw/zinc/41/61/81/1035416181.db2.gz LEOOOHKNRSADRC-UHFFFAOYSA-N 2 0 309.523 3.638 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(COc3ccccc3)c2)CC1 ZINC001178311041 1035423278 /nfs/dbraw/zinc/42/32/78/1035423278.db2.gz VREFCEBRNBWVMR-UHFFFAOYSA-N 2 0 322.452 3.617 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001178584894 1035435361 /nfs/dbraw/zinc/43/53/61/1035435361.db2.gz QREBZQZYESDDDJ-BHIYHBOVSA-N 2 0 308.510 3.721 20 0 DHADRP Fc1cccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001178611381 1035439832 /nfs/dbraw/zinc/43/98/32/1035439832.db2.gz YHXSPIBAQMCFTE-JUIXODQZSA-N 2 0 324.443 3.951 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC1(C)C ZINC001178977813 1035455784 /nfs/dbraw/zinc/45/57/84/1035455784.db2.gz QLLGDBRBOZZTNL-ZWKOTPCHSA-N 2 0 304.478 3.541 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CCCCC1 ZINC001179091709 1035465078 /nfs/dbraw/zinc/46/50/78/1035465078.db2.gz XDBNMMRFVXTDNP-GBESFXJTSA-N 2 0 322.537 3.826 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC001179291633 1035472232 /nfs/dbraw/zinc/47/22/32/1035472232.db2.gz RUKMGNJSATXUFY-GOSISDBHSA-N 2 0 324.815 3.698 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC001179909120 1035548298 /nfs/dbraw/zinc/54/82/98/1035548298.db2.gz DUVREWGCFXFZIS-KDOFPFPSSA-N 2 0 310.432 3.560 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001168465829 1035556457 /nfs/dbraw/zinc/55/64/57/1035556457.db2.gz XYHBYSIJCWAXFT-HNNXBMFYSA-N 2 0 304.453 3.753 20 0 DHADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(F)c1 ZINC001168465869 1035575139 /nfs/dbraw/zinc/57/51/39/1035575139.db2.gz ZGCWPNBDMCYCQB-SJORKVTESA-N 2 0 314.448 3.854 20 0 DHADRP Cc1ncsc1CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193252698 1035595829 /nfs/dbraw/zinc/59/58/29/1035595829.db2.gz ZSBZWDLZSRSEOA-HOCLYGCPSA-N 2 0 321.534 3.627 20 0 DHADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000494517266 1035603632 /nfs/dbraw/zinc/60/36/32/1035603632.db2.gz ZAFQZUZFOUXDIV-GDAAHCPNSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@]1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCO1 ZINC001180208928 1035619991 /nfs/dbraw/zinc/61/99/91/1035619991.db2.gz UBBYIYKMFANELD-MOPGFXCFSA-N 2 0 308.510 3.534 20 0 DHADRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC001180233424 1035625911 /nfs/dbraw/zinc/62/59/11/1035625911.db2.gz DLOUGFSVOJJSOL-SFHVURJKSA-N 2 0 308.416 3.834 20 0 DHADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1c1ccccc1 ZINC000535472164 1035650381 /nfs/dbraw/zinc/65/03/81/1035650381.db2.gz FNSBNZGCPRQSNF-YZGWKJHDSA-N 2 0 300.490 3.986 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cnn1C(C)(C)C ZINC000191293525 1035678279 /nfs/dbraw/zinc/67/82/79/1035678279.db2.gz HEXZAJCQGUQCMZ-RHSMWYFYSA-N 2 0 322.541 3.964 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(C)C)[C@H](C)C1 ZINC001193648375 1035691542 /nfs/dbraw/zinc/69/15/42/1035691542.db2.gz FQTQSOGYCSGFOI-QYZOEREBSA-N 2 0 324.553 3.929 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2Cl)CC[C@H]1C[NH3+] ZINC001205638810 1035702867 /nfs/dbraw/zinc/70/28/67/1035702867.db2.gz SEMYDMKIZOHDBM-QWRGUYRKSA-N 2 0 319.251 3.939 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000539494044 1035746702 /nfs/dbraw/zinc/74/67/02/1035746702.db2.gz VYULHQQATHCGJL-PKOBYXMFSA-N 2 0 302.462 3.610 20 0 DHADRP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000192023096 1035747867 /nfs/dbraw/zinc/74/78/67/1035747867.db2.gz BGYHLFBKFPCPHK-ROUUACIJSA-N 2 0 322.880 3.636 20 0 DHADRP CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001180801087 1035769273 /nfs/dbraw/zinc/76/92/73/1035769273.db2.gz FGEWIWMYRLYCFF-DBVUQKKJSA-N 2 0 318.505 3.558 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192617948 1035804538 /nfs/dbraw/zinc/80/45/38/1035804538.db2.gz KBVFDZJTVVMAMO-IBGZPJMESA-N 2 0 301.478 3.645 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193176223 1035846641 /nfs/dbraw/zinc/84/66/41/1035846641.db2.gz VAASHGGVOOPVIA-UHFFFAOYSA-N 2 0 319.474 3.613 20 0 DHADRP C[C@@H](CC[NH2+]C1CC(OCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000494749500 1035860122 /nfs/dbraw/zinc/86/01/22/1035860122.db2.gz QEPCVQXBSUFDNG-KKXNLOMOSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H](Cc1ccccc1Cl)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001181428120 1035909286 /nfs/dbraw/zinc/90/92/86/1035909286.db2.gz RXNWHYZQKVUAJH-OAHLLOKOSA-N 2 0 308.897 3.983 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660006490 1035946478 /nfs/dbraw/zinc/94/64/78/1035946478.db2.gz OTHWPUWPZROTJC-WMZOPIPTSA-N 2 0 308.510 3.530 20 0 DHADRP CSc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000659843064 1035946617 /nfs/dbraw/zinc/94/66/17/1035946617.db2.gz JFZUUVFJTHZEEV-UHFFFAOYSA-N 2 0 304.503 3.716 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540168445 1035991612 /nfs/dbraw/zinc/99/16/12/1035991612.db2.gz KBEXZIKKZMNSSL-BQFCYCMXSA-N 2 0 304.478 3.856 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C(C)(C)C)[C@@H](C)C1 ZINC000540175878 1035995550 /nfs/dbraw/zinc/99/55/50/1035995550.db2.gz ZNHROEHVFIDITE-FUHWJXTLSA-N 2 0 318.505 3.683 20 0 DHADRP CC[C@@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000540190652 1035997752 /nfs/dbraw/zinc/99/77/52/1035997752.db2.gz JXTMALWDSUDSHD-RTBURBONSA-N 2 0 317.521 3.613 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccccc1C(C)(C)C ZINC000540177625 1036001092 /nfs/dbraw/zinc/00/10/92/1036001092.db2.gz PXNXMEGBWBFZTF-JFIYKMOQSA-N 2 0 318.505 3.681 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000540302765 1036034014 /nfs/dbraw/zinc/03/40/14/1036034014.db2.gz SOEBCSAEJXZGCQ-LJQANCHMSA-N 2 0 304.453 3.988 20 0 DHADRP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001203300559 1036189030 /nfs/dbraw/zinc/18/90/30/1036189030.db2.gz NRTMFOUJXLQBLA-VQTJNVASSA-N 2 0 324.468 3.932 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1C ZINC000495057609 1036209966 /nfs/dbraw/zinc/20/99/66/1036209966.db2.gz GJLDUBFRWMPGIK-UQZPWQSVSA-N 2 0 300.490 3.777 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000753737150 1036309976 /nfs/dbraw/zinc/30/99/76/1036309976.db2.gz FIDDLCPZGLSEQM-KRWDZBQOSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000613256916 1036352388 /nfs/dbraw/zinc/35/23/88/1036352388.db2.gz PGNYURGUULYUBY-JTDSTZFVSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)C[NH+]1CCCCC1 ZINC000486728349 1036381137 /nfs/dbraw/zinc/38/11/37/1036381137.db2.gz HYVKAKIBTWPPMF-AWEZNQCLSA-N 2 0 303.425 3.519 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC001182544241 1036383382 /nfs/dbraw/zinc/38/33/82/1036383382.db2.gz QCPQYUKXPWKBAX-BQJUDKOJSA-N 2 0 312.501 3.890 20 0 DHADRP C[C@H]([NH2+]CCCc1ccsc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603139 1036385077 /nfs/dbraw/zinc/38/50/77/1036385077.db2.gz NRNQSERGGMKCOJ-DOTOQJQBSA-N 2 0 306.519 3.923 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C/C=C\c2ccncc2)cc1 ZINC000486930955 1036468016 /nfs/dbraw/zinc/46/80/16/1036468016.db2.gz DJPBHAILBZHUAE-WAYWQWQTSA-N 2 0 309.457 3.726 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000486949860 1036473327 /nfs/dbraw/zinc/47/33/27/1036473327.db2.gz JQENUASWKSYLHM-MRXNPFEDSA-N 2 0 322.468 3.826 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)CC1 ZINC001182890525 1036476510 /nfs/dbraw/zinc/47/65/10/1036476510.db2.gz DQSFBRSZRNGXQW-WGSAOQKQSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000668717932 1036482294 /nfs/dbraw/zinc/48/22/94/1036482294.db2.gz HLRVNAYMYNQZDC-KRWDZBQOSA-N 2 0 310.445 3.588 20 0 DHADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000486956666 1036486561 /nfs/dbraw/zinc/48/65/61/1036486561.db2.gz JWFGSIOPPZRWLH-IBGZPJMESA-N 2 0 318.530 3.905 20 0 DHADRP CC1CCN([C@@H](C[NH2+]C[C@H]2CCSC2)c2ccccc2)CC1 ZINC000486961999 1036490680 /nfs/dbraw/zinc/49/06/80/1036490680.db2.gz XKJUZOVWTGUNFO-MJGOQNOKSA-N 2 0 318.530 3.802 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C/C=C/c1ccncc1 ZINC000486974542 1036492531 /nfs/dbraw/zinc/49/25/31/1036492531.db2.gz XOYGEYYXRKCWPI-VOTSOKGWSA-N 2 0 309.457 3.725 20 0 DHADRP C[C@H](C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC001183268037 1036558691 /nfs/dbraw/zinc/55/86/91/1036558691.db2.gz DHMQUYNNAIMXQL-MRXNPFEDSA-N 2 0 312.461 3.916 20 0 DHADRP C[NH+]1C[C@@]2(C)CN(CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001196631705 1036583215 /nfs/dbraw/zinc/58/32/15/1036583215.db2.gz HJYYSLXQGAUUTD-IRXDYDNUSA-N 2 0 324.921 3.706 20 0 DHADRP CCC1([NH+](C)C)CC[NH+](CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001196683627 1036587711 /nfs/dbraw/zinc/58/77/11/1036587711.db2.gz GWCWUMXCVBWVLI-QGZVFWFLSA-N 2 0 308.510 3.532 20 0 DHADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491545457 1036601671 /nfs/dbraw/zinc/60/16/71/1036601671.db2.gz LEEQVRCJCARQKK-MQJVFOOVSA-N 2 0 314.395 3.896 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)C[NH+](C)C ZINC000491596937 1036608991 /nfs/dbraw/zinc/60/89/91/1036608991.db2.gz PHCONPIIGDZVGA-CYBMUJFWSA-N 2 0 306.450 3.842 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC000637908162 1036629036 /nfs/dbraw/zinc/62/90/36/1036629036.db2.gz ZCTRHJBMRGXHCX-UHFFFAOYSA-N 2 0 314.395 3.565 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CC1(C)C ZINC000487266779 1036629344 /nfs/dbraw/zinc/62/93/44/1036629344.db2.gz JBWBQBQQIGQVLC-CRAIPNDOSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487308219 1036649985 /nfs/dbraw/zinc/64/99/85/1036649985.db2.gz LAMBBPARSKLPKS-CDKMSYNUSA-N 2 0 321.468 3.595 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C[C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000487549839 1036679260 /nfs/dbraw/zinc/67/92/60/1036679260.db2.gz IWRQDQXWBGAFNK-NEWSRXKRSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000668783950 1036693020 /nfs/dbraw/zinc/69/30/20/1036693020.db2.gz XVKWMKMXWKUALJ-CQSZACIVSA-N 2 0 322.443 3.780 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001184053643 1036733678 /nfs/dbraw/zinc/73/36/78/1036733678.db2.gz BZLYAGOLVXNDTQ-TTYHFUOFSA-N 2 0 320.521 3.577 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134574 1036745383 /nfs/dbraw/zinc/74/53/83/1036745383.db2.gz FLDQPZCMFJRQIM-CRAIPNDOSA-N 2 0 318.530 3.661 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001184134896 1036748762 /nfs/dbraw/zinc/74/87/62/1036748762.db2.gz JMEPLTJCZVPXTJ-SJLPKXTDSA-N 2 0 300.490 3.674 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168490066 1036756463 /nfs/dbraw/zinc/75/64/63/1036756463.db2.gz HDUGRZFTTYIVEA-INIZCTEOSA-N 2 0 306.469 3.809 20 0 DHADRP Clc1cccc(CC[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000668817835 1036824898 /nfs/dbraw/zinc/82/48/98/1036824898.db2.gz AQGAHUZSBBRLSY-QGZVFWFLSA-N 2 0 306.881 3.594 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H](OC)C2CCCCC2)CC1 ZINC001197891885 1036897999 /nfs/dbraw/zinc/89/79/99/1036897999.db2.gz RBOUQEILJOZHSG-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1Cc2ccccc2C1 ZINC000236910321 1036987266 /nfs/dbraw/zinc/98/72/66/1036987266.db2.gz PAKJWCFBCUUKPH-UHFFFAOYSA-N 2 0 308.469 3.785 20 0 DHADRP C[NH+](C)Cc1cccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000237077137 1036990375 /nfs/dbraw/zinc/99/03/75/1036990375.db2.gz LGAXEWVKAMPDDA-OAQYLSRUSA-N 2 0 323.484 3.825 20 0 DHADRP COc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1C ZINC001203899143 1036992728 /nfs/dbraw/zinc/99/27/28/1036992728.db2.gz USLPNOKLWHWVLF-UHFFFAOYSA-N 2 0 316.489 3.557 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000237247707 1037001174 /nfs/dbraw/zinc/00/11/74/1037001174.db2.gz VPFREAGWHSQUKK-QZTJIDSGSA-N 2 0 318.505 3.728 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCCCC2)C[C@@H](C)O1 ZINC000237410632 1037007527 /nfs/dbraw/zinc/00/75/27/1037007527.db2.gz BZLKKSCUHSETKL-IAGOWNOFSA-N 2 0 316.489 3.718 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C12CCCC2 ZINC000316132144 1037071794 /nfs/dbraw/zinc/07/17/94/1037071794.db2.gz OZIOYZDMGLDQOP-JKSUJKDBSA-N 2 0 308.510 3.623 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309668143 1037167622 /nfs/dbraw/zinc/16/76/22/1037167622.db2.gz QYXRHZJFIXRABN-NEWSRXKRSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000309761540 1037179435 /nfs/dbraw/zinc/17/94/35/1037179435.db2.gz DTMMDIWOVIJOEQ-LFGUQSLTSA-N 2 0 300.490 3.923 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000309949321 1037194441 /nfs/dbraw/zinc/19/44/41/1037194441.db2.gz FIAPBCZYMWFPDJ-RTBURBONSA-N 2 0 318.530 3.774 20 0 DHADRP CC(C)C[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310032803 1037205559 /nfs/dbraw/zinc/20/55/59/1037205559.db2.gz YOHYSXUSLRHIOO-SXLOBPIMSA-N 2 0 300.490 3.875 20 0 DHADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1Cl ZINC001199218293 1037216872 /nfs/dbraw/zinc/21/68/72/1037216872.db2.gz FQFMLNPRZCHIDM-UHFFFAOYSA-N 2 0 302.849 4.000 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178178268 1037302537 /nfs/dbraw/zinc/30/25/37/1037302537.db2.gz QSEXKBVRRUVQJX-SFHVURJKSA-N 2 0 318.505 3.967 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000178511835 1037323687 /nfs/dbraw/zinc/32/36/87/1037323687.db2.gz CCSVKOXLJFCIJY-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccsc1 ZINC000178620456 1037330542 /nfs/dbraw/zinc/33/05/42/1037330542.db2.gz BITCCINBMOWPIM-FUHWJXTLSA-N 2 0 314.498 3.963 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+]CCN(C)C2CCCCC2)cc1 ZINC001199812490 1037343484 /nfs/dbraw/zinc/34/34/84/1037343484.db2.gz KJMBYVAESCLBJC-KRWDZBQOSA-N 2 0 318.505 3.870 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000194059011 1037354944 /nfs/dbraw/zinc/35/49/44/1037354944.db2.gz OJICFAUTFHDJCT-GOSISDBHSA-N 2 0 308.469 3.750 20 0 DHADRP COCCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC001205348058 1037356307 /nfs/dbraw/zinc/35/63/07/1037356307.db2.gz VFKBATFZPJVGFX-WMZOPIPTSA-N 2 0 310.526 3.682 20 0 DHADRP CCCC[C@@H](CC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397578839 1037399732 /nfs/dbraw/zinc/39/97/32/1037399732.db2.gz CBXOBIHHJQGZDI-LJQANCHMSA-N 2 0 318.505 3.572 20 0 DHADRP CCCC[C@H](CC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397578837 1037399748 /nfs/dbraw/zinc/39/97/48/1037399748.db2.gz CBXOBIHHJQGZDI-IBGZPJMESA-N 2 0 318.505 3.572 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000397999094 1037576841 /nfs/dbraw/zinc/57/68/41/1037576841.db2.gz DHMRIXGQCBFADQ-OXQOHEQNSA-N 2 0 312.432 3.826 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCCCC1 ZINC000493889121 1037581756 /nfs/dbraw/zinc/58/17/56/1037581756.db2.gz RWCHHAZSSQWRFR-GUDVDZBRSA-N 2 0 320.521 3.578 20 0 DHADRP c1cc(OC2CCCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671302407 1037583588 /nfs/dbraw/zinc/58/35/88/1037583588.db2.gz OHTYLPGPSCKXFZ-MSOLQXFVSA-N 2 0 314.473 3.724 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000493946085 1037600092 /nfs/dbraw/zinc/60/00/92/1037600092.db2.gz XESMQCJAWMUYJC-JQHSSLGASA-N 2 0 306.494 3.719 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)CC3 ZINC000490121126 1037617238 /nfs/dbraw/zinc/61/72/38/1037617238.db2.gz YZVKRAGGMRTLEF-NQERJWCQSA-N 2 0 323.484 3.550 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C12CCC2 ZINC000776162628 1037627238 /nfs/dbraw/zinc/62/72/38/1037627238.db2.gz KFZZVAXGIZGTKI-CSODTCANSA-N 2 0 320.521 3.721 20 0 DHADRP CCCc1csc(C[NH2+]CCCCC[NH+]2CCCCC2)n1 ZINC000494136509 1037649129 /nfs/dbraw/zinc/64/91/29/1037649129.db2.gz KPFLEMRIGSCNRK-UHFFFAOYSA-N 2 0 309.523 3.841 20 0 DHADRP CC(C)(C)C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001201443034 1037698284 /nfs/dbraw/zinc/69/82/84/1037698284.db2.gz NWJWDMQIUMUBEA-UHFFFAOYSA-N 2 0 322.250 3.542 20 0 DHADRP CC(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201447958 1037702253 /nfs/dbraw/zinc/70/22/53/1037702253.db2.gz WBYNEIDGQJGKGA-MOPGFXCFSA-N 2 0 300.490 3.877 20 0 DHADRP CCC(CC)[N@H+](CC)Cc1sc(C2CC[NH2+]CC2)nc1C ZINC001235962174 1037739519 /nfs/dbraw/zinc/73/95/19/1037739519.db2.gz GEXFRJFOPOVWGS-UHFFFAOYSA-N 2 0 309.523 3.929 20 0 DHADRP CCCC[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001201707122 1037847966 /nfs/dbraw/zinc/84/79/66/1037847966.db2.gz VXRKGWGLUOLEJQ-UHFFFAOYSA-N 2 0 301.478 3.558 20 0 DHADRP CCCCCC[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001201750386 1037872851 /nfs/dbraw/zinc/87/28/51/1037872851.db2.gz KJZOBVVVDCWUHA-UHFFFAOYSA-N 2 0 315.505 3.950 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000124155369 1037884143 /nfs/dbraw/zinc/88/41/43/1037884143.db2.gz IJTOFLGEFCEYKN-OAQYLSRUSA-N 2 0 322.496 3.772 20 0 DHADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125489890 1037939531 /nfs/dbraw/zinc/93/95/31/1037939531.db2.gz HQIODOUBHDFMMY-QGZVFWFLSA-N 2 0 324.534 3.755 20 0 DHADRP CC1(C)CCC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563398 1037942975 /nfs/dbraw/zinc/94/29/75/1037942975.db2.gz PLXFDZMGSMVBIG-KGLIPLIRSA-N 2 0 306.416 3.662 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187284709 1037958891 /nfs/dbraw/zinc/95/88/91/1037958891.db2.gz SRRCGXNMPQUOBP-MRXNPFEDSA-N 2 0 312.567 3.866 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000916832014 1037985695 /nfs/dbraw/zinc/98/56/95/1037985695.db2.gz KKSXRSIWCKEDHA-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC23CCCC3)n1 ZINC000189058355 1038044658 /nfs/dbraw/zinc/04/46/58/1038044658.db2.gz DAZFSEDDBHSXCB-GOSISDBHSA-N 2 0 309.457 3.786 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2)CC1 ZINC000571116395 1038081378 /nfs/dbraw/zinc/08/13/78/1038081378.db2.gz GMSKQOYPINJFPJ-MRXNPFEDSA-N 2 0 310.869 3.525 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000126681817 1038084442 /nfs/dbraw/zinc/08/44/42/1038084442.db2.gz KDEVJAJLDQBIMB-PBHICJAKSA-N 2 0 322.880 3.794 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCCO2 ZINC000126658275 1038086236 /nfs/dbraw/zinc/08/62/36/1038086236.db2.gz LBWICCISSBMKRM-QGZVFWFLSA-N 2 0 322.880 3.794 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000189192468 1038087121 /nfs/dbraw/zinc/08/71/21/1038087121.db2.gz ZPGNXYQHANPYOZ-UHFFFAOYSA-N 2 0 306.812 3.831 20 0 DHADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c(C)c1 ZINC000189269131 1038127672 /nfs/dbraw/zinc/12/76/72/1038127672.db2.gz SLMBTGPFDWULHH-LPHOPBHVSA-N 2 0 304.478 3.604 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2sc(C)nc2C)c1 ZINC000076868855 1038168724 /nfs/dbraw/zinc/16/87/24/1038168724.db2.gz BUBMEOQAXWLHSQ-UHFFFAOYSA-N 2 0 303.475 3.501 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000571567413 1038170490 /nfs/dbraw/zinc/17/04/90/1038170490.db2.gz JXPFEXVTLKJURA-MUYFXNHWSA-N 2 0 316.489 3.738 20 0 DHADRP c1ccc(C[C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168379617 1038172441 /nfs/dbraw/zinc/17/24/41/1038172441.db2.gz MTNRUAYAGBOKDV-FQEVSTJZSA-N 2 0 312.501 3.816 20 0 DHADRP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000571941693 1038281916 /nfs/dbraw/zinc/28/19/16/1038281916.db2.gz TXPDVJOJSXDOMR-OALUTQOASA-N 2 0 320.521 3.580 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CC3(CO2)CCCCC3)CC1 ZINC001190349331 1038303830 /nfs/dbraw/zinc/30/38/30/1038303830.db2.gz VHICFGRQWMRCMT-LJQANCHMSA-N 2 0 322.537 3.780 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)CC1 ZINC001190349328 1038303992 /nfs/dbraw/zinc/30/39/92/1038303992.db2.gz VHICFGRQWMRCMT-IBGZPJMESA-N 2 0 322.537 3.780 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000572205354 1038350948 /nfs/dbraw/zinc/35/09/48/1038350948.db2.gz FDZUUCJCROIIRQ-ZACQAIPSSA-N 2 0 304.478 3.507 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000572649906 1038489216 /nfs/dbraw/zinc/48/92/16/1038489216.db2.gz IPVDMZJEUFTVNX-UHFFFAOYSA-N 2 0 300.471 3.976 20 0 DHADRP CCSc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001191521414 1038512531 /nfs/dbraw/zinc/51/25/31/1038512531.db2.gz QKYZKQNCTVSQRH-WBVHZDCISA-N 2 0 304.503 3.715 20 0 DHADRP CC(C)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC001192535071 1038679164 /nfs/dbraw/zinc/67/91/64/1038679164.db2.gz DEYVFVMMFWJAQY-FQEVSTJZSA-N 2 0 316.489 3.529 20 0 DHADRP COCC1(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCC1 ZINC000669685439 1039012543 /nfs/dbraw/zinc/01/25/43/1039012543.db2.gz SRZXUAGKTLRKCO-UHFFFAOYSA-N 2 0 316.489 3.579 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCSC2)CC1)CC(C)C ZINC000574081154 1039387308 /nfs/dbraw/zinc/38/73/08/1039387308.db2.gz IJQLKSWIJLNJMT-GOSISDBHSA-N 2 0 312.567 3.820 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000574182046 1039418349 /nfs/dbraw/zinc/41/83/49/1039418349.db2.gz VGMMHQVOXNFEDT-FUHWJXTLSA-N 2 0 324.534 3.926 20 0 DHADRP Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000606156565 1039789425 /nfs/dbraw/zinc/78/94/25/1039789425.db2.gz CABCVBQWZZEKPP-UHFFFAOYSA-N 2 0 309.457 3.998 20 0 DHADRP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000594785973 1039904631 /nfs/dbraw/zinc/90/46/31/1039904631.db2.gz ADNCOLAQCSHUGC-IBGZPJMESA-N 2 0 323.484 3.886 20 0 DHADRP C[C@@H](CSCCF)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000595004085 1040014186 /nfs/dbraw/zinc/01/41/86/1040014186.db2.gz NIBJSOZRMYWLKJ-INIZCTEOSA-N 2 0 324.509 3.853 20 0 DHADRP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606902931 1040032320 /nfs/dbraw/zinc/03/23/20/1040032320.db2.gz GPQAWWKVPFTYRU-SFHVURJKSA-N 2 0 300.490 3.902 20 0 DHADRP C[C@H](CSCCF)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595035594 1040042447 /nfs/dbraw/zinc/04/24/47/1040042447.db2.gz XVDNDWPROYHFIT-RYRKJORJSA-N 2 0 324.509 3.578 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000574887045 1040056000 /nfs/dbraw/zinc/05/60/00/1040056000.db2.gz HVWDUPYTPMNACS-XUJVJEKNSA-N 2 0 300.368 3.621 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498452889 1040130800 /nfs/dbraw/zinc/13/08/00/1040130800.db2.gz OTCIMJFKMLZXJV-LJQANCHMSA-N 2 0 302.437 3.693 20 0 DHADRP FC(F)[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000761109968 1040131375 /nfs/dbraw/zinc/13/13/75/1040131375.db2.gz RBKOALHZRYHIPN-OKILXGFUSA-N 2 0 324.406 3.721 20 0 DHADRP CSCC1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000596094290 1040306060 /nfs/dbraw/zinc/30/60/60/1040306060.db2.gz JOTTXLORRYUVKM-LXPRWKDFSA-N 2 0 310.551 3.620 20 0 DHADRP CCC(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000608071301 1040365263 /nfs/dbraw/zinc/36/52/63/1040365263.db2.gz VVLQVWJWNMITTQ-UHFFFAOYSA-N 2 0 323.912 3.618 20 0 DHADRP CSC1(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000602668810 1041150167 /nfs/dbraw/zinc/15/01/67/1041150167.db2.gz WYHXJIBWRDRWCA-QZTJIDSGSA-N 2 0 318.530 3.597 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C)ccc1OC ZINC000093397060 193243595 /nfs/dbraw/zinc/24/35/95/193243595.db2.gz ITEXAFWVUJTAAO-YJBOKZPZSA-N 2 0 302.462 3.529 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000093403533 193244745 /nfs/dbraw/zinc/24/47/45/193244745.db2.gz IDNBARLXIGUZTP-ZDUSSCGKSA-N 2 0 321.515 3.767 20 0 DHADRP Fc1ccc(C2=CC[C@@H]([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000272301335 130016947 /nfs/dbraw/zinc/01/69/47/130016947.db2.gz DHPUEERTRCHOBI-DNVCBOLYSA-N 2 0 314.448 3.836 20 0 DHADRP CCSCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272399699 130027548 /nfs/dbraw/zinc/02/75/48/130027548.db2.gz DNWHARYCTZWLQR-AEFFLSMTSA-N 2 0 306.519 3.630 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273378270 130114386 /nfs/dbraw/zinc/11/43/86/130114386.db2.gz BROPLCCHUPVFQS-RBUKOAKNSA-N 2 0 320.452 3.510 20 0 DHADRP CCC[NH+](CCC)CCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000275843473 130397064 /nfs/dbraw/zinc/39/70/64/130397064.db2.gz JOYFLCKNQQHRPR-GOSISDBHSA-N 2 0 314.477 3.601 20 0 DHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278498067 130697261 /nfs/dbraw/zinc/69/72/61/130697261.db2.gz QGODIKJEKUQNDJ-OAHLLOKOSA-N 2 0 304.453 3.611 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2)CC1 ZINC000340179657 131004735 /nfs/dbraw/zinc/00/47/35/131004735.db2.gz BYDSXDATMQRFGH-IBGZPJMESA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cn[nH]c1 ZINC000283693771 131013370 /nfs/dbraw/zinc/01/33/70/131013370.db2.gz ANJDEYQHVLQKPB-HZPDHXFCSA-N 2 0 312.461 3.635 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cn[nH]c1 ZINC000283693768 131013941 /nfs/dbraw/zinc/01/39/41/131013941.db2.gz ANJDEYQHVLQKPB-CVEARBPZSA-N 2 0 312.461 3.635 20 0 DHADRP CC(C)[NH+](CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340184707 131016798 /nfs/dbraw/zinc/01/67/98/131016798.db2.gz SIEWNWMMMYPQOS-VQTJNVASSA-N 2 0 317.521 3.530 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000284433011 131080275 /nfs/dbraw/zinc/08/02/75/131080275.db2.gz RMHUGTPRHTWRAU-CDHQVMDDSA-N 2 0 316.489 3.650 20 0 DHADRP Clc1ccc2c(ccn2CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000287532282 131284900 /nfs/dbraw/zinc/28/49/00/131284900.db2.gz PAAMKYPTSZEBDS-DLBZAZTESA-N 2 0 317.864 3.511 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCCc2cnccc2C)c1 ZINC000289068900 131355680 /nfs/dbraw/zinc/35/56/80/131355680.db2.gz ADUHYODKUJVQPP-UHFFFAOYSA-N 2 0 311.473 3.564 20 0 DHADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000293718107 131762350 /nfs/dbraw/zinc/76/23/50/131762350.db2.gz NIXZQNNRHXRMDX-IBGZPJMESA-N 2 0 301.478 3.789 20 0 DHADRP c1[nH+]cn2cc(C[NH2+]Cc3cccc(OC4CCCC4)c3)ccc12 ZINC000297389466 132013454 /nfs/dbraw/zinc/01/34/54/132013454.db2.gz BFKLNBUNJSGKSK-UHFFFAOYSA-N 2 0 321.424 3.946 20 0 DHADRP c1cc2c(s1)CCC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297761910 132032105 /nfs/dbraw/zinc/03/21/05/132032105.db2.gz UYKKEJCLPOSPSD-QGZVFWFLSA-N 2 0 313.470 3.779 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511857 132159704 /nfs/dbraw/zinc/15/97/04/132159704.db2.gz OWKKNHHNIRPMED-OAHLLOKOSA-N 2 0 311.267 3.571 20 0 DHADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000219307824 331468535 /nfs/dbraw/zinc/46/85/35/331468535.db2.gz CBMSZBZDPAZUML-HNNXBMFYSA-N 2 0 319.276 3.612 20 0 DHADRP Clc1cccc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197628 331487916 /nfs/dbraw/zinc/48/79/16/331487916.db2.gz HUENZHFYUCMAQK-MRXNPFEDSA-N 2 0 313.272 3.957 20 0 DHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000533466302 331537598 /nfs/dbraw/zinc/53/75/98/331537598.db2.gz VUJXOFJWJOPQQJ-MSOLQXFVSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000556922326 331754202 /nfs/dbraw/zinc/75/42/02/331754202.db2.gz BIVWQIIRJHNTRL-UKRRQHHQSA-N 2 0 318.427 3.962 20 0 DHADRP CCCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000131772255 332033479 /nfs/dbraw/zinc/03/34/79/332033479.db2.gz UVUHKOFJWLVPBA-YQQQUEKLSA-N 2 0 316.489 3.970 20 0 DHADRP COc1cccc(C2(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)CC2)c1 ZINC000569533858 332127610 /nfs/dbraw/zinc/12/76/10/332127610.db2.gz DLVCRHFZBLLMMO-UHFFFAOYSA-N 2 0 316.489 3.579 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000426058168 335094460 /nfs/dbraw/zinc/09/44/60/335094460.db2.gz AFNREKMDJCTANZ-YOEHRIQHSA-N 2 0 322.443 3.706 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426048852 335095488 /nfs/dbraw/zinc/09/54/88/335095488.db2.gz JPOQIGKLUVMUPC-WBVHZDCISA-N 2 0 318.461 3.749 20 0 DHADRP CC(C)c1ccc(OC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000566230331 332264494 /nfs/dbraw/zinc/26/44/94/332264494.db2.gz DPXQAXLJGMDOTC-KRWDZBQOSA-N 2 0 316.489 3.653 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000559540749 332269803 /nfs/dbraw/zinc/26/98/03/332269803.db2.gz ICAMXNKVUKTVGJ-AWEZNQCLSA-N 2 0 310.844 3.643 20 0 DHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261600030 332277287 /nfs/dbraw/zinc/27/72/87/332277287.db2.gz AXOACJTZWRSBRD-HXUWFJFHSA-N 2 0 324.468 3.812 20 0 DHADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000560527902 332351554 /nfs/dbraw/zinc/35/15/54/332351554.db2.gz GOWFOVJUESSEDP-BPQIPLTHSA-N 2 0 306.519 3.984 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1ccccc1C ZINC000560544554 332356271 /nfs/dbraw/zinc/35/62/71/332356271.db2.gz QCOSUAVNYVVGAP-HCXYKTFWSA-N 2 0 316.489 3.615 20 0 DHADRP CCCCOc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000560594349 332366804 /nfs/dbraw/zinc/36/68/04/332366804.db2.gz GQNYSCXHUOGFKX-FQEVSTJZSA-N 2 0 316.489 3.783 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000518749125 332385251 /nfs/dbraw/zinc/38/52/51/332385251.db2.gz POOHMPJHQCNOGP-FLIBITNWSA-N 2 0 316.489 3.953 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000583415720 332394201 /nfs/dbraw/zinc/39/42/01/332394201.db2.gz BODNOZTZDXJYAQ-LBVWLFBPSA-N 2 0 322.537 3.824 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129723505 332521421 /nfs/dbraw/zinc/52/14/21/332521421.db2.gz WXSHDXWVTKJVOM-CABCVRRESA-N 2 0 306.416 3.819 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OC(F)F)c1)C[NH+]1CCCC1 ZINC000171141777 332641821 /nfs/dbraw/zinc/64/18/21/332641821.db2.gz VYPCRMUYEOBHLG-KGLIPLIRSA-N 2 0 312.404 3.671 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1OC(F)F ZINC000570045564 332706291 /nfs/dbraw/zinc/70/62/91/332706291.db2.gz GMIWLUHUPCZLML-INIZCTEOSA-N 2 0 320.383 3.988 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000378925987 333064357 /nfs/dbraw/zinc/06/43/57/333064357.db2.gz SXRJTWVREDJTEK-MOPGFXCFSA-N 2 0 310.441 3.565 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580312388 333097823 /nfs/dbraw/zinc/09/78/23/333097823.db2.gz LWUWJPVHOJSZLJ-GFCCVEGCSA-N 2 0 303.475 3.884 20 0 DHADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000181006443 333166844 /nfs/dbraw/zinc/16/68/44/333166844.db2.gz MFWSIVYYHCEMMT-AWEZNQCLSA-N 2 0 301.434 3.553 20 0 DHADRP CCc1oc2ccccc2c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000318611987 333193921 /nfs/dbraw/zinc/19/39/21/333193921.db2.gz XAEZVXQZSUKBSA-UHFFFAOYSA-N 2 0 300.446 3.817 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)C[C@@H](c2ccccc2)C1 ZINC000319412230 333299038 /nfs/dbraw/zinc/29/90/38/333299038.db2.gz HBILLDOLPPSAJI-CZKCSJLSSA-N 2 0 300.490 3.889 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000120710549 333306752 /nfs/dbraw/zinc/30/67/52/333306752.db2.gz KGTSMTIYOZDBPL-QGZVFWFLSA-N 2 0 320.477 3.619 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000514091498 333324461 /nfs/dbraw/zinc/32/44/61/333324461.db2.gz ZHTLNYAPGWJDFP-HAGHYFMRSA-N 2 0 300.490 3.889 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc3ccccc23)C[C@H]1C ZINC000531378887 333347431 /nfs/dbraw/zinc/34/74/31/333347431.db2.gz LTZVLLHCHRFQBM-SJLPKXTDSA-N 2 0 311.473 3.848 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CS[C@H](C(C)C)C2)c1 ZINC000488425091 333375943 /nfs/dbraw/zinc/37/59/43/333375943.db2.gz FGWLLDLBQAMXAX-MSOLQXFVSA-N 2 0 306.519 3.758 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CS1 ZINC000488459285 333379944 /nfs/dbraw/zinc/37/99/44/333379944.db2.gz IXADFGPFJJQPJL-NVXWUHKLSA-N 2 0 310.482 3.507 20 0 DHADRP FC(F)(F)c1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000521436484 333384920 /nfs/dbraw/zinc/38/49/20/333384920.db2.gz YOMAFRMNULPFSG-HNNXBMFYSA-N 2 0 312.379 3.527 20 0 DHADRP FC(F)(F)c1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563135600 333395642 /nfs/dbraw/zinc/39/56/42/333395642.db2.gz RKQFQBQJYSGNDY-CQSZACIVSA-N 2 0 312.379 3.527 20 0 DHADRP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000531699904 333547320 /nfs/dbraw/zinc/54/73/20/333547320.db2.gz RNYFYXJLJSIQQJ-QGZVFWFLSA-N 2 0 304.478 3.852 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000261674247 333649104 /nfs/dbraw/zinc/64/91/04/333649104.db2.gz HMUGFWMDDSOOQH-GVDBMIGSSA-N 2 0 324.415 3.688 20 0 DHADRP COc1ccc([C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C(C)C)cc1 ZINC000414194579 333912258 /nfs/dbraw/zinc/91/22/58/333912258.db2.gz VUIIHRVASYICOG-IBGZPJMESA-N 2 0 309.413 3.830 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCC2 ZINC000414162996 333915631 /nfs/dbraw/zinc/91/56/31/333915631.db2.gz FJOCRUHMSNDEPA-AWEZNQCLSA-N 2 0 312.442 3.520 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000414230000 333926353 /nfs/dbraw/zinc/92/63/53/333926353.db2.gz NIWBHROXTDFNBU-FCEWJHQRSA-N 2 0 318.530 3.566 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414659204 334059031 /nfs/dbraw/zinc/05/90/31/334059031.db2.gz SIXNWWYQCXDYBA-KBPBESRZSA-N 2 0 314.395 3.740 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000274306333 334059268 /nfs/dbraw/zinc/05/92/68/334059268.db2.gz SDKPKYVXUMMFCL-OAHLLOKOSA-N 2 0 302.462 3.776 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000414677698 334066930 /nfs/dbraw/zinc/06/69/30/334066930.db2.gz VCMJZRAGXOGVSG-UHFFFAOYSA-N 2 0 324.468 3.794 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414710312 334072587 /nfs/dbraw/zinc/07/25/87/334072587.db2.gz RUXVHNKCJYULNI-CKEIUWERSA-N 2 0 324.921 3.818 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414720463 334074169 /nfs/dbraw/zinc/07/41/69/334074169.db2.gz YQTTXRFCKSTISI-QWFCFKBJSA-N 2 0 315.505 3.852 20 0 DHADRP C[C@@H]1CCCC[C@H]1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414720464 334074274 /nfs/dbraw/zinc/07/42/74/334074274.db2.gz YQTTXRFCKSTISI-WSTZPKSXSA-N 2 0 315.505 3.852 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000414731610 334075301 /nfs/dbraw/zinc/07/53/01/334075301.db2.gz ICMBGMHWZVEFFK-OAQYLSRUSA-N 2 0 324.468 3.841 20 0 DHADRP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772920 334090455 /nfs/dbraw/zinc/09/04/55/334090455.db2.gz CSOKQHPIGYYVRW-JKSUJKDBSA-N 2 0 319.518 3.622 20 0 DHADRP c1ccc(CCC(CCc2ccccc2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414785368 334095084 /nfs/dbraw/zinc/09/50/84/334095084.db2.gz VGBQMQPIUKOUOT-UHFFFAOYSA-N 2 0 322.496 3.962 20 0 DHADRP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C1CC[NH2+]CC1 ZINC000414787577 334096476 /nfs/dbraw/zinc/09/64/76/334096476.db2.gz ZEUVXQXGIPUEMN-DAXSKMNVSA-N 2 0 322.452 3.620 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414802027 334103257 /nfs/dbraw/zinc/10/32/57/334103257.db2.gz AYCCKDLJRUINDO-HNNXBMFYSA-N 2 0 319.493 3.634 20 0 DHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414812137 334106116 /nfs/dbraw/zinc/10/61/16/334106116.db2.gz QXKRBTOEDULLIW-CYBMUJFWSA-N 2 0 314.477 3.564 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000414817286 334106913 /nfs/dbraw/zinc/10/69/13/334106913.db2.gz RWVHKVXPZUJAMP-OAHLLOKOSA-N 2 0 310.441 3.785 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000414824153 334108694 /nfs/dbraw/zinc/10/86/94/334108694.db2.gz QDAKHWIVSFGIIF-NFAWXSAZSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)s2)cc1 ZINC000414824164 334108805 /nfs/dbraw/zinc/10/88/05/334108805.db2.gz AJTGHQQSJNNFQG-HNNXBMFYSA-N 2 0 300.471 3.813 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414827959 334109795 /nfs/dbraw/zinc/10/97/95/334109795.db2.gz LHTFXPBACVISNX-FFZOFVMBSA-N 2 0 316.489 3.699 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414831326 334110184 /nfs/dbraw/zinc/11/01/84/334110184.db2.gz CXURKCQRKPWUDV-MUYFXNHWSA-N 2 0 316.489 3.701 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414829897 334110454 /nfs/dbraw/zinc/11/04/54/334110454.db2.gz LIEACTMJSXQUPO-RYUDHWBXSA-N 2 0 301.261 3.514 20 0 DHADRP Fc1cccc(Oc2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000414831145 334110689 /nfs/dbraw/zinc/11/06/89/334110689.db2.gz MSPMKNJQSDEGHQ-MRXNPFEDSA-N 2 0 314.404 3.707 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H](C[NH3+])C3CCCCC3)CC2)C1 ZINC000414835774 334111382 /nfs/dbraw/zinc/11/13/82/334111382.db2.gz HTSBOWGGSKOVEK-UXPWSPDFSA-N 2 0 321.553 3.527 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414836580 334111570 /nfs/dbraw/zinc/11/15/70/334111570.db2.gz SXRUIIATSIMSBB-UKRRQHHQSA-N 2 0 314.395 3.616 20 0 DHADRP Clc1cccc(Cl)c1CCC[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414842780 334112920 /nfs/dbraw/zinc/11/29/20/334112920.db2.gz ZFCAUEGURANEAD-LBPRGKRZSA-N 2 0 301.261 3.515 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414844279 334113299 /nfs/dbraw/zinc/11/32/99/334113299.db2.gz KQMWTKRTWFTAJS-JYJNAYRXSA-N 2 0 312.379 3.683 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414844285 334113424 /nfs/dbraw/zinc/11/34/24/334113424.db2.gz KQMWTKRTWFTAJS-PMPSAXMXSA-N 2 0 312.379 3.683 20 0 DHADRP FC(F)(F)c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414844382 334114221 /nfs/dbraw/zinc/11/42/21/334114221.db2.gz DPTRIDFQHPOQIQ-NSHDSACASA-N 2 0 320.786 3.838 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000280346868 334116745 /nfs/dbraw/zinc/11/67/45/334116745.db2.gz SNBXHDDYFSSSOM-LPHOPBHVSA-N 2 0 304.453 3.924 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)o1 ZINC000414847775 334120234 /nfs/dbraw/zinc/12/02/34/334120234.db2.gz JODBOJYEXXTIAK-CQSZACIVSA-N 2 0 302.393 3.565 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])CCCCCC3)CC2)C1 ZINC000414864568 334134836 /nfs/dbraw/zinc/13/48/36/334134836.db2.gz ZOIXAOKBWFDORT-HKUYNNGSSA-N 2 0 321.553 3.671 20 0 DHADRP CC[NH2+]Cc1cccc(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000414873774 334144171 /nfs/dbraw/zinc/14/41/71/334144171.db2.gz XSEUIBAXXWSGQR-PMACEKPBSA-N 2 0 309.457 3.701 20 0 DHADRP [NH3+]C1(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CCC1 ZINC000414879063 334148763 /nfs/dbraw/zinc/14/87/63/334148763.db2.gz OVQJPJXQBGVJRQ-UHFFFAOYSA-N 2 0 301.261 3.787 20 0 DHADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414894554 334159454 /nfs/dbraw/zinc/15/94/54/334159454.db2.gz TTYIGQCXMNSPIE-ARFHVFGLSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898451 334161674 /nfs/dbraw/zinc/16/16/74/334161674.db2.gz GBJWDRZMBQWNJE-CYBMUJFWSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906140 334169401 /nfs/dbraw/zinc/16/94/01/334169401.db2.gz MBJVGUVHSKWFBN-SWLSCSKDSA-N 2 0 300.899 3.702 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414915747 334177400 /nfs/dbraw/zinc/17/74/00/334177400.db2.gz NAZCIQTUYSJLBA-SWLSCSKDSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC[NH2+]1 ZINC000414928367 334191166 /nfs/dbraw/zinc/19/11/66/334191166.db2.gz AVVAEPPYVXSOEY-YOEHRIQHSA-N 2 0 314.404 3.848 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000366695439 334191865 /nfs/dbraw/zinc/19/18/65/334191865.db2.gz MKNCWOLKLRQVGU-SFHVURJKSA-N 2 0 312.457 3.675 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414933314 334196425 /nfs/dbraw/zinc/19/64/25/334196425.db2.gz DPOYVTBEVXPOSA-NMLACTOBSA-N 2 0 316.489 3.698 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000414935897 334197921 /nfs/dbraw/zinc/19/79/21/334197921.db2.gz GHRZMAWZQZCXNN-IFXJQAMLSA-N 2 0 314.404 3.706 20 0 DHADRP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415083016 334272345 /nfs/dbraw/zinc/27/23/45/334272345.db2.gz DUJOEYTWAUZTHM-CEXWTWQISA-N 2 0 314.473 3.628 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)cc2)cc1 ZINC000414946732 334206241 /nfs/dbraw/zinc/20/62/41/334206241.db2.gz JZAXJMBNZOVZNJ-XLIONFOSSA-N 2 0 324.468 3.804 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952166 334207163 /nfs/dbraw/zinc/20/71/63/334207163.db2.gz QPCTVYJUJKLSDS-LALPHHSUSA-N 2 0 300.368 3.539 20 0 DHADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)c1 ZINC000415082068 334272864 /nfs/dbraw/zinc/27/28/64/334272864.db2.gz NUCKFERYKFTQET-CUWPLCDZSA-N 2 0 324.468 3.845 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)s2)cc1 ZINC000414975593 334222305 /nfs/dbraw/zinc/22/23/05/334222305.db2.gz OVTCVQXGMHBFDY-MRXNPFEDSA-N 2 0 315.486 3.740 20 0 DHADRP COc1cc(Cl)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414975959 334222512 /nfs/dbraw/zinc/22/25/12/334222512.db2.gz PBEADCSTYCIDQP-GFCCVEGCSA-N 2 0 317.260 3.624 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414979088 334225073 /nfs/dbraw/zinc/22/50/73/334225073.db2.gz USBHXKUQAYVUBW-LJQANCHMSA-N 2 0 324.468 3.984 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000467744395 334273908 /nfs/dbraw/zinc/27/39/08/334273908.db2.gz UBDFPROSSRCZPT-AOIWGVFYSA-N 2 0 303.494 3.941 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414999469 334237997 /nfs/dbraw/zinc/23/79/97/334237997.db2.gz VYZGIXFKMYBMOH-ZVXXOIICSA-N 2 0 314.473 3.614 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414999578 334238154 /nfs/dbraw/zinc/23/81/54/334238154.db2.gz JJBVHNCAEQVHIW-XNRPHZJLSA-N 2 0 314.395 3.744 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000415000389 334239654 /nfs/dbraw/zinc/23/96/54/334239654.db2.gz KFFHWWBRYDAMGM-MWLCHTKSSA-N 2 0 305.224 3.740 20 0 DHADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415087240 334275724 /nfs/dbraw/zinc/27/57/24/334275724.db2.gz SQGLQMCYCGXRAM-BYCMXARLSA-N 2 0 318.358 3.939 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000415018249 334259029 /nfs/dbraw/zinc/25/90/29/334259029.db2.gz UESNEGJJKPVRBX-SFHVURJKSA-N 2 0 310.485 3.948 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)CCCC[NH3+])s2)cc1 ZINC000415022423 334259597 /nfs/dbraw/zinc/25/95/97/334259597.db2.gz ZISRPECOBMBIGC-CQSZACIVSA-N 2 0 303.475 3.726 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000415022368 334259637 /nfs/dbraw/zinc/25/96/37/334259637.db2.gz LMHVDMMHCHSGMN-OPUMOTSWSA-N 2 0 324.468 3.996 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000415024064 334259707 /nfs/dbraw/zinc/25/97/07/334259707.db2.gz MRFZBTAIZBIGGB-IYARVYRRSA-N 2 0 304.478 3.590 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415029933 334260086 /nfs/dbraw/zinc/26/00/86/334260086.db2.gz FCFTXBADXDVSEE-UHMOLFJZSA-N 2 0 316.489 3.827 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000415027855 334260131 /nfs/dbraw/zinc/26/01/31/334260131.db2.gz BSSZMZXARHEJGO-NVXWUHKLSA-N 2 0 314.404 3.835 20 0 DHADRP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000415033825 334260273 /nfs/dbraw/zinc/26/02/73/334260273.db2.gz CCGFTSDVNZLTJN-CTNGQTDRSA-N 2 0 321.468 3.713 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000415039374 334260742 /nfs/dbraw/zinc/26/07/42/334260742.db2.gz NYTNQGBKWUDCEI-STQMWFEESA-N 2 0 304.434 3.771 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415038512 334260767 /nfs/dbraw/zinc/26/07/67/334260767.db2.gz HWGWHJKRRAZSMD-PBHICJAKSA-N 2 0 300.471 3.865 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)s2)cc1 ZINC000415041492 334260915 /nfs/dbraw/zinc/26/09/15/334260915.db2.gz PYGFEGQWDQXSQY-HOCLYGCPSA-N 2 0 300.471 3.941 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415045439 334261221 /nfs/dbraw/zinc/26/12/21/334261221.db2.gz BRSSNIJFIOGCBM-PCCBWWKXSA-N 2 0 323.484 3.550 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000415047067 334261407 /nfs/dbraw/zinc/26/14/07/334261407.db2.gz DORGISFUHVKHFI-OALUTQOASA-N 2 0 314.860 3.877 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000415048855 334261420 /nfs/dbraw/zinc/26/14/20/334261420.db2.gz GINIWLWFVVCDDT-NRFANRHFSA-N 2 0 323.484 3.725 20 0 DHADRP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)CC1CCOCC1 ZINC000415054824 334261730 /nfs/dbraw/zinc/26/17/30/334261730.db2.gz NRROKVUAFBQEKU-LPHOPBHVSA-N 2 0 304.478 3.509 20 0 DHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415059360 334262051 /nfs/dbraw/zinc/26/20/51/334262051.db2.gz IYPQLDGOOWVOEB-INIZCTEOSA-N 2 0 314.477 3.603 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000415060643 334262140 /nfs/dbraw/zinc/26/21/40/334262140.db2.gz XDGZWWQDDLEWMK-IBGZPJMESA-N 2 0 314.498 3.990 20 0 DHADRP CSc1cccc([C@@H](NCCC[NH3+])c2cc(F)ccc2F)c1 ZINC000415075389 334267009 /nfs/dbraw/zinc/26/70/09/334267009.db2.gz DZTBOXLNTHMPQD-QGZVFWFLSA-N 2 0 322.424 3.715 20 0 DHADRP CSC1(C[NH2+][C@@H](C)CCc2cccc(C)c2)CC[NH+](C)CC1 ZINC000582151612 334276378 /nfs/dbraw/zinc/27/63/78/334276378.db2.gz HWTASHVDVALJLY-KRWDZBQOSA-N 2 0 320.546 3.733 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000415079122 334270359 /nfs/dbraw/zinc/27/03/59/334270359.db2.gz HPPHABUPQDAUJC-CEXWTWQISA-N 2 0 300.490 3.766 20 0 DHADRP C[C@H]1C[C@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000415080885 334271278 /nfs/dbraw/zinc/27/12/78/334271278.db2.gz JWYFFQGUVGKXTK-WCQYABFASA-N 2 0 301.261 3.514 20 0 DHADRP [NH3+]C1CCC([NH2+]CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000415088513 334277276 /nfs/dbraw/zinc/27/72/76/334277276.db2.gz XOZWVDXFPFHKQX-UHFFFAOYSA-N 2 0 317.260 3.622 20 0 DHADRP CCCC[C@H](CC)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415126925 334283763 /nfs/dbraw/zinc/28/37/63/334283763.db2.gz HIFLRTLHFOKKBM-IBGZPJMESA-N 2 0 317.521 3.538 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000415121506 334284513 /nfs/dbraw/zinc/28/45/13/334284513.db2.gz IFNXISDCQYUGPD-RTBURBONSA-N 2 0 308.510 3.565 20 0 DHADRP CC(C)c1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415129944 334285297 /nfs/dbraw/zinc/28/52/97/334285297.db2.gz VSBPGBRSJBSWSN-WOJBJXKFSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950136 334304148 /nfs/dbraw/zinc/30/41/48/334304148.db2.gz XQTCXRBLAMGWJQ-CPUCHLNUSA-N 2 0 308.897 3.936 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534977843 334351616 /nfs/dbraw/zinc/35/16/16/334351616.db2.gz ZGWLOEMAFYLUKT-FUHWJXTLSA-N 2 0 324.896 3.664 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000342242978 334519625 /nfs/dbraw/zinc/51/96/25/334519625.db2.gz YTJDNMBIXPTHDA-UHFFFAOYSA-N 2 0 319.424 3.521 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000342265039 334528342 /nfs/dbraw/zinc/52/83/42/334528342.db2.gz JINZFCNWXBZTFH-HNNXBMFYSA-N 2 0 300.393 3.671 20 0 DHADRP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417330392 334709238 /nfs/dbraw/zinc/70/92/38/334709238.db2.gz KVSZYHWRDACWQH-BFHKSVSOSA-N 2 0 304.503 3.847 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1F ZINC000127110466 334871092 /nfs/dbraw/zinc/87/10/92/334871092.db2.gz KDLJWAJQOWAKPH-OIKLOGQESA-N 2 0 315.230 3.509 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(CC)CC ZINC000344027317 335210065 /nfs/dbraw/zinc/21/00/65/335210065.db2.gz VFCDAMSUMKMURP-ZWKOTPCHSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cc([C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(C)o1 ZINC000344154334 335222468 /nfs/dbraw/zinc/22/24/68/335222468.db2.gz IZVNNBYABFMSLH-AWEZNQCLSA-N 2 0 310.401 3.636 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C12CCCC2 ZINC000344106430 335223675 /nfs/dbraw/zinc/22/36/75/335223675.db2.gz JXNLZZHWZDDNRZ-RBUKOAKNSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000344198377 335224669 /nfs/dbraw/zinc/22/46/69/335224669.db2.gz OOONKGQXXHVFRQ-UHFFFAOYSA-N 2 0 324.403 3.740 20 0 DHADRP Fc1ccc(C2CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000366878419 335275645 /nfs/dbraw/zinc/27/56/45/335275645.db2.gz JNZLNHFDJFADTB-UHFFFAOYSA-N 2 0 302.437 3.678 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000344905854 335284682 /nfs/dbraw/zinc/28/46/82/335284682.db2.gz XCAJKQQHMVGTME-QGZVFWFLSA-N 2 0 312.457 3.986 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366891001 335306346 /nfs/dbraw/zinc/30/63/46/335306346.db2.gz RVBWMWJUQNROMC-VNCLNFNDSA-N 2 0 304.453 3.753 20 0 DHADRP CC1CCC(OC2CC[NH+](CCC[NH+]3CCCC3)CC2)CC1 ZINC000366902672 335332115 /nfs/dbraw/zinc/33/21/15/335332115.db2.gz KBIMQBLVBBNVKX-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000346185799 335379079 /nfs/dbraw/zinc/37/90/79/335379079.db2.gz SIRLJHLRYJZVMD-APWZRJJASA-N 2 0 310.445 3.730 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCCc1ccccc1 ZINC000346137760 335380121 /nfs/dbraw/zinc/38/01/21/335380121.db2.gz IXTGPIBPDBPFJK-UHFFFAOYSA-N 2 0 320.440 3.640 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3C[C@H](C)CC[C@H]3C)sc2C1 ZINC000346233040 335386880 /nfs/dbraw/zinc/38/68/80/335386880.db2.gz ZCOPGGCDMSQAKX-ZIAGYGMSSA-N 2 0 307.507 3.530 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000346666567 335428070 /nfs/dbraw/zinc/42/80/70/335428070.db2.gz YMIDNMYLMKNPNJ-UHFFFAOYSA-N 2 0 306.862 3.992 20 0 DHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CCCC[NH+]3CCCC3)C2)c1 ZINC000367058279 335605877 /nfs/dbraw/zinc/60/58/77/335605877.db2.gz RRTYRPOKBHRMAT-MJGOQNOKSA-N 2 0 301.478 3.573 20 0 DHADRP Clc1cnc(C[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000349704199 335692735 /nfs/dbraw/zinc/69/27/35/335692735.db2.gz RDUAGXFXADXQTN-UHFFFAOYSA-N 2 0 301.887 3.542 20 0 DHADRP Cc1[nH+]ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1Cl ZINC000350285694 335742581 /nfs/dbraw/zinc/74/25/81/335742581.db2.gz HFSNIUOKUHACOD-AWEZNQCLSA-N 2 0 321.877 3.776 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000097393953 335854905 /nfs/dbraw/zinc/85/49/05/335854905.db2.gz HMQUZBYZZFASIF-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000532216402 335919624 /nfs/dbraw/zinc/91/96/24/335919624.db2.gz VIADJAXPZZUCAC-IBGZPJMESA-N 2 0 304.478 3.541 20 0 DHADRP CCc1nocc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000351731112 336063111 /nfs/dbraw/zinc/06/31/11/336063111.db2.gz NGCSSIPDKSOKCO-INIZCTEOSA-N 2 0 319.493 3.714 20 0 DHADRP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352437629 336218634 /nfs/dbraw/zinc/21/86/34/336218634.db2.gz CZOCHDGIDBYXGB-JRGCBEDISA-N 2 0 321.468 3.597 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCOc2ccccc2)C[C@H]1C ZINC000526123916 336220350 /nfs/dbraw/zinc/22/03/50/336220350.db2.gz HJWIPGMQUBJOJF-MSOLQXFVSA-N 2 0 304.478 3.650 20 0 DHADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000352504055 336222111 /nfs/dbraw/zinc/22/21/11/336222111.db2.gz MPVGHUWUBKIRGB-CQSZACIVSA-N 2 0 303.837 3.592 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532448516 336247928 /nfs/dbraw/zinc/24/79/28/336247928.db2.gz YYYPRWXMUPHEBL-JKIFEVAISA-N 2 0 308.897 3.936 20 0 DHADRP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192933875 336285122 /nfs/dbraw/zinc/28/51/22/336285122.db2.gz JWYLBVQEHSVDOP-KRWDZBQOSA-N 2 0 300.471 3.668 20 0 DHADRP Cc1cc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)nc(C(C)C)n1 ZINC000301062655 336287970 /nfs/dbraw/zinc/28/79/70/336287970.db2.gz NBNNIACUIISDNL-INIZCTEOSA-N 2 0 316.424 3.762 20 0 DHADRP CCC[N@@H+]1CC[C@H](CNc2cc(C)nc3c(OC)cccc23)C1 ZINC000301976341 336340962 /nfs/dbraw/zinc/34/09/62/336340962.db2.gz DQORRBFWEIDRHC-OAHLLOKOSA-N 2 0 313.445 3.696 20 0 DHADRP Cc1cc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc[nH+]1 ZINC000302367633 336357675 /nfs/dbraw/zinc/35/76/75/336357675.db2.gz BJNOONKWOHEWEZ-QGZVFWFLSA-N 2 0 301.478 3.871 20 0 DHADRP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000302552115 336361483 /nfs/dbraw/zinc/36/14/83/336361483.db2.gz IRTGRJCWZROSNA-PZJWPPBQSA-N 2 0 321.468 3.881 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C(C)C)cc1 ZINC000152474173 336390405 /nfs/dbraw/zinc/39/04/05/336390405.db2.gz RFRAXHWZIQFIOW-UYAOXDASSA-N 2 0 300.490 3.636 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000353399886 336415441 /nfs/dbraw/zinc/41/54/41/336415441.db2.gz FFAMRBIXQIBKII-DQPZFDDXSA-N 2 0 306.425 3.502 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353653442 336431927 /nfs/dbraw/zinc/43/19/27/336431927.db2.gz ZBRPUDFDCSIFPY-OAHLLOKOSA-N 2 0 322.518 3.563 20 0 DHADRP c1nc(C2CCCC2)sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357060317 336572261 /nfs/dbraw/zinc/57/22/61/336572261.db2.gz YIHOFCBJJWDZDU-MRXNPFEDSA-N 2 0 319.518 3.622 20 0 DHADRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000357787077 336598433 /nfs/dbraw/zinc/59/84/33/336598433.db2.gz YQUFMRIXZWJSLJ-WMZOPIPTSA-N 2 0 304.478 3.776 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1 ZINC000358049347 336608585 /nfs/dbraw/zinc/60/85/85/336608585.db2.gz RELZGRLFYXYFCS-GGPKGHCWSA-N 2 0 318.505 3.925 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000359324388 336667818 /nfs/dbraw/zinc/66/78/18/336667818.db2.gz RJHCJNXUYWEEIC-IEBWSBKVSA-N 2 0 322.468 3.532 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)COC2 ZINC000359641875 336681516 /nfs/dbraw/zinc/68/15/16/336681516.db2.gz YYUBUIIYKLQEMD-OAHLLOKOSA-N 2 0 310.441 3.629 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000361921328 336777991 /nfs/dbraw/zinc/77/79/91/336777991.db2.gz BCNQJMKUQZTWHK-FCEWJHQRSA-N 2 0 304.478 3.571 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000373696696 336969532 /nfs/dbraw/zinc/96/95/32/336969532.db2.gz MYNBKHVPFWPHSN-XUVXKRRUSA-N 2 0 322.537 3.683 20 0 DHADRP C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)CC1CCOCC1 ZINC000375598672 337014137 /nfs/dbraw/zinc/01/41/37/337014137.db2.gz QLQYCQHMCQHKGP-QUCCMNQESA-N 2 0 320.521 3.532 20 0 DHADRP C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)CC1CCOCC1 ZINC000375598671 337014202 /nfs/dbraw/zinc/01/42/02/337014202.db2.gz QLQYCQHMCQHKGP-ICSRJNTNSA-N 2 0 320.521 3.532 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000122681462 337018296 /nfs/dbraw/zinc/01/82/96/337018296.db2.gz LNFCOZDTZXAKIF-QGZVFWFLSA-N 2 0 304.503 3.935 20 0 DHADRP Cc1cccc(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000375854245 337021536 /nfs/dbraw/zinc/02/15/36/337021536.db2.gz SNIIPBFZHQLLLX-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000122771808 337023785 /nfs/dbraw/zinc/02/37/85/337023785.db2.gz STLBBXRLFVUTSR-HNNXBMFYSA-N 2 0 307.507 3.541 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000376099241 337026966 /nfs/dbraw/zinc/02/69/66/337026966.db2.gz SCKAZDOZRIUSJK-NRXISQOPSA-N 2 0 306.416 3.771 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000376416112 337033043 /nfs/dbraw/zinc/03/30/43/337033043.db2.gz QWBOFXWUNKUYPG-VIQWUECVSA-N 2 0 308.510 3.722 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CCC(C(F)(F)F)CC2)C1 ZINC000377839040 337062273 /nfs/dbraw/zinc/06/22/73/337062273.db2.gz FRCLTZVXFKRDMY-GRAKBVBRSA-N 2 0 318.427 3.771 20 0 DHADRP COc1cc([C@@H](C)[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000377893508 337063506 /nfs/dbraw/zinc/06/35/06/337063506.db2.gz JYJMIQWGPYHWGN-PBHICJAKSA-N 2 0 320.452 3.559 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]CCn2ccnc2)cc1 ZINC000378478308 337073892 /nfs/dbraw/zinc/07/38/92/337073892.db2.gz VTMQMFLNFQFJNZ-CVEARBPZSA-N 2 0 323.362 3.828 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC3 ZINC000378491748 337074280 /nfs/dbraw/zinc/07/42/80/337074280.db2.gz GOSBESUDNYHHBW-ZACQAIPSSA-N 2 0 323.484 3.550 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1sccc1Br ZINC000514667425 337147660 /nfs/dbraw/zinc/14/76/60/337147660.db2.gz KJTLRYMOMHWXQQ-AXFHLTTASA-N 2 0 317.296 3.679 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1sccc1Br ZINC000514667426 337147667 /nfs/dbraw/zinc/14/76/67/337147667.db2.gz KJTLRYMOMHWXQQ-DCAQKATOSA-N 2 0 317.296 3.679 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000178035067 337160011 /nfs/dbraw/zinc/16/00/11/337160011.db2.gz CPJZEYGUAQNCEK-SCTDSRPQSA-N 2 0 304.478 3.617 20 0 DHADRP c1cn(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000321024687 337176002 /nfs/dbraw/zinc/17/60/02/337176002.db2.gz VNRQSODWNLNUPJ-OTWHNJEPSA-N 2 0 311.473 3.542 20 0 DHADRP Fc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(F)c1F ZINC000180784315 337177911 /nfs/dbraw/zinc/17/79/11/337177911.db2.gz BZPBCQMKOXGDLV-DYVFJYSZSA-N 2 0 324.390 3.553 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000180935072 337178715 /nfs/dbraw/zinc/17/87/15/337178715.db2.gz OJZVFAUZVPLRGG-OXQOHEQNSA-N 2 0 309.457 3.884 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182099799 337184354 /nfs/dbraw/zinc/18/43/54/337184354.db2.gz BXTZPELIPPMFTD-SFHVURJKSA-N 2 0 320.452 3.751 20 0 DHADRP CC[NH+](CC)CCCC1CCN(Cc2noc(C(C)C)n2)CC1 ZINC000182776337 337189757 /nfs/dbraw/zinc/18/97/57/337189757.db2.gz ULEQZTIEMVJFKN-UHFFFAOYSA-N 2 0 322.497 3.527 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000183863495 337195099 /nfs/dbraw/zinc/19/50/99/337195099.db2.gz QRDQCEURIUHVPX-INIZCTEOSA-N 2 0 324.468 3.703 20 0 DHADRP CC(C)CCn1cccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000582872788 337209382 /nfs/dbraw/zinc/20/93/82/337209382.db2.gz IUZZPAZWCAEVMW-IBGZPJMESA-N 2 0 317.521 3.698 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccnc2C)CC1)CC(C)C ZINC000583111374 337238321 /nfs/dbraw/zinc/23/83/21/337238321.db2.gz UPOTWZIYZLDKFQ-UHFFFAOYSA-N 2 0 317.521 3.970 20 0 DHADRP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@@H]2CN2CCCC2)CC1 ZINC000185504992 337248669 /nfs/dbraw/zinc/24/86/69/337248669.db2.gz SXIPKPZZUJCJBM-UYSNPLJNSA-N 2 0 318.427 3.915 20 0 DHADRP CC(C)OC1CC([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000189527385 337280012 /nfs/dbraw/zinc/28/00/12/337280012.db2.gz OFVANZVXULRYSZ-GTPINHCMSA-N 2 0 322.518 3.506 20 0 DHADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000321752312 337288454 /nfs/dbraw/zinc/28/84/54/337288454.db2.gz VVGAMXYXCUQXRU-INIZCTEOSA-N 2 0 318.505 3.875 20 0 DHADRP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000193339845 337310067 /nfs/dbraw/zinc/31/00/67/337310067.db2.gz YBGNJGHSFZQKMV-XUBOLADHSA-N 2 0 300.490 3.716 20 0 DHADRP CN1CC[C@@H]2CC[N@H+](CCc3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC000583784827 337332730 /nfs/dbraw/zinc/33/27/30/337332730.db2.gz WTPBZLVEPMZEIK-IEBWSBKVSA-N 2 0 300.490 3.553 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1)CC(C)C ZINC000584583029 337368462 /nfs/dbraw/zinc/36/84/62/337368462.db2.gz BPRQWOLWEFROPI-UYAOXDASSA-N 2 0 324.553 3.882 20 0 DHADRP CC1CCC([NH+]2CCC(N(C)Cc3ccccn3)CC2)CC1 ZINC000104950991 337386688 /nfs/dbraw/zinc/38/66/88/337386688.db2.gz ZJMDYQXNWOHCPF-UHFFFAOYSA-N 2 0 301.478 3.557 20 0 DHADRP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420228210 337496993 /nfs/dbraw/zinc/49/69/93/337496993.db2.gz KRIGRFZKLLKRCG-RCBQFDQVSA-N 2 0 315.848 3.679 20 0 DHADRP Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420239279 337497176 /nfs/dbraw/zinc/49/71/76/337497176.db2.gz SMZIDIMDFMSQLA-QWHCGFSZSA-N 2 0 303.837 3.679 20 0 DHADRP Fc1ccc([C@H](CC(F)(F)F)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420374962 337500262 /nfs/dbraw/zinc/50/02/62/337500262.db2.gz OLACIQUJSHNSFP-WFASDCNBSA-N 2 0 318.358 3.799 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000420407249 337500772 /nfs/dbraw/zinc/50/07/72/337500772.db2.gz OHVNBJSDGHDNOQ-QWHCGFSZSA-N 2 0 300.368 3.746 20 0 DHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421352298 337528007 /nfs/dbraw/zinc/52/80/07/337528007.db2.gz CXAAOMVBIUBYTM-IRXDYDNUSA-N 2 0 316.489 3.543 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000421380276 337529251 /nfs/dbraw/zinc/52/92/51/337529251.db2.gz YDSTYLQPHDXFJI-UHFFFAOYSA-N 2 0 317.864 3.851 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2)C[C@@H](C)O1 ZINC000069833264 337546089 /nfs/dbraw/zinc/54/60/89/337546089.db2.gz ZVCJBCPREZCNFS-QZTJIDSGSA-N 2 0 324.468 3.586 20 0 DHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000421836617 337652288 /nfs/dbraw/zinc/65/22/88/337652288.db2.gz HMWNAZDNRAXLFJ-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP c1cnc2c(c1)CC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000421836724 337652437 /nfs/dbraw/zinc/65/24/37/337652437.db2.gz RLILSFFHGCGVCZ-LJQANCHMSA-N 2 0 315.505 3.575 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000422782995 337686393 /nfs/dbraw/zinc/68/63/93/337686393.db2.gz MLPPPJMNNYEQPM-KHYOSLBOSA-N 2 0 300.421 3.825 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000422827829 337688276 /nfs/dbraw/zinc/68/82/76/337688276.db2.gz NOIDJHDLRBFFIN-LIRRHRJNSA-N 2 0 318.411 3.966 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000422826922 337688337 /nfs/dbraw/zinc/68/83/37/337688337.db2.gz RNUYSJIJPNXGOB-GARJFASQSA-N 2 0 317.296 3.549 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422867375 337689240 /nfs/dbraw/zinc/68/92/40/337689240.db2.gz SAVYANDYXKIRKQ-RXVVDRJESA-N 2 0 324.468 3.620 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422865228 337689244 /nfs/dbraw/zinc/68/92/44/337689244.db2.gz OMYRNWWYKPYYSV-RCCFBDPRSA-N 2 0 322.493 3.699 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC000422906425 337690720 /nfs/dbraw/zinc/69/07/20/337690720.db2.gz VDOGYAWXPRDQRA-QWHCGFSZSA-N 2 0 318.383 3.796 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422939504 337692575 /nfs/dbraw/zinc/69/25/75/337692575.db2.gz FXBFPSBEKQWSEX-BZUAXINKSA-N 2 0 322.518 3.531 20 0 DHADRP Cc1cccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])c2)c1 ZINC000422903942 337693298 /nfs/dbraw/zinc/69/32/98/337693298.db2.gz GCTRBTBTRGMJPP-MAODMQOUSA-N 2 0 324.468 3.504 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422902203 337693309 /nfs/dbraw/zinc/69/33/09/337693309.db2.gz UBOVJTPWEXWCGT-UHFFFAOYSA-N 2 0 310.869 3.524 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422984745 337693641 /nfs/dbraw/zinc/69/36/41/337693641.db2.gz ZAYBWAWFSLHLQA-APWZRJJASA-N 2 0 304.478 3.578 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423016766 337695727 /nfs/dbraw/zinc/69/57/27/337695727.db2.gz UNQMOIZQQQTRFQ-BMGDILEWSA-N 2 0 320.427 3.507 20 0 DHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(C2CCCCC2)CCCCC1 ZINC000423023338 337696080 /nfs/dbraw/zinc/69/60/80/337696080.db2.gz JPAPORCNLXKINI-UHOSZYNNSA-N 2 0 322.537 3.859 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423092786 337699035 /nfs/dbraw/zinc/69/90/35/337699035.db2.gz DLNNBGWCYYRYPB-HSANBRHQSA-N 2 0 302.437 3.582 20 0 DHADRP c1cc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423113505 337700050 /nfs/dbraw/zinc/70/00/50/337700050.db2.gz YIKHDOVUWYNBLR-YSIASYRMSA-N 2 0 311.473 3.611 20 0 DHADRP CCSc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423125389 337700653 /nfs/dbraw/zinc/70/06/53/337700653.db2.gz HZCZPDWMSSMSRH-OKZBNKHCSA-N 2 0 304.503 3.809 20 0 DHADRP Fc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1Cl ZINC000423154746 337701915 /nfs/dbraw/zinc/70/19/15/337701915.db2.gz IEAYFNKOJFDQOX-CKQIIDDLSA-N 2 0 308.828 3.803 20 0 DHADRP Clc1cccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423165170 337702147 /nfs/dbraw/zinc/70/21/47/337702147.db2.gz APUWGYOJNYOGBX-SJPCQFCGSA-N 2 0 304.865 3.535 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423214330 337704516 /nfs/dbraw/zinc/70/45/16/337704516.db2.gz OQFFBVJTOORMST-KBPBESRZSA-N 2 0 310.869 3.777 20 0 DHADRP C[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000423214338 337704571 /nfs/dbraw/zinc/70/45/71/337704571.db2.gz LHBVNJDQDVKSNZ-IRXDYDNUSA-N 2 0 323.569 3.643 20 0 DHADRP Fc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218748 337705172 /nfs/dbraw/zinc/70/51/72/337705172.db2.gz VYPHGMRCBLUEHD-YLJYHZDGSA-N 2 0 312.432 3.699 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423229061 337705879 /nfs/dbraw/zinc/70/58/79/337705879.db2.gz ADZOKZMVBBCWRB-KBMXLJTQSA-N 2 0 312.379 3.683 20 0 DHADRP c1ccc(CC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423250643 337707398 /nfs/dbraw/zinc/70/73/98/337707398.db2.gz QNZJRHFSFDEXTH-TZIWHRDSSA-N 2 0 308.469 3.950 20 0 DHADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423255782 337707741 /nfs/dbraw/zinc/70/77/41/337707741.db2.gz ATUBAKHZHBAXCV-KUHUBIRLSA-N 2 0 300.446 3.745 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423262150 337707980 /nfs/dbraw/zinc/70/79/80/337707980.db2.gz UPYBIJVOXNLPIU-SJORKVTESA-N 2 0 309.457 3.789 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423272400 337708628 /nfs/dbraw/zinc/70/86/28/337708628.db2.gz KBJQOWZQVYQZMM-GHMZBOCLSA-N 2 0 317.296 3.551 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000423274336 337708763 /nfs/dbraw/zinc/70/87/63/337708763.db2.gz LZKKSHKRWZYDFC-STQMWFEESA-N 2 0 303.475 3.625 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423274305 337708898 /nfs/dbraw/zinc/70/88/98/337708898.db2.gz LUSPTWGEGZAQNX-SJORKVTESA-N 2 0 312.457 3.772 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423277646 337709008 /nfs/dbraw/zinc/70/90/08/337709008.db2.gz QEQVFEQTCKFECA-NWDGAFQWSA-N 2 0 302.434 3.550 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000423281585 337709454 /nfs/dbraw/zinc/70/94/54/337709454.db2.gz VUPVUSTXWABNPN-PBHICJAKSA-N 2 0 302.487 3.785 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000423315765 337711709 /nfs/dbraw/zinc/71/17/09/337711709.db2.gz AHQWOACAGMSFGZ-LBPRGKRZSA-N 2 0 316.367 3.626 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423322985 337712030 /nfs/dbraw/zinc/71/20/30/337712030.db2.gz HTWQFROHSIHHKQ-SFHVURJKSA-N 2 0 311.473 3.833 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423330778 337712310 /nfs/dbraw/zinc/71/23/10/337712310.db2.gz NTONPRXKWXRSCG-IUODEOHRSA-N 2 0 300.368 3.746 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CCS2 ZINC000423339479 337712856 /nfs/dbraw/zinc/71/28/56/337712856.db2.gz VEPKZKHSAIJTMW-MRXNPFEDSA-N 2 0 304.503 3.820 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000423373164 337715165 /nfs/dbraw/zinc/71/51/65/337715165.db2.gz IVDOCQPQQSUPPT-ZSZQSSIHSA-N 2 0 302.462 3.657 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000423373162 337715321 /nfs/dbraw/zinc/71/53/21/337715321.db2.gz IVDOCQPQQSUPPT-URLQWDBASA-N 2 0 302.462 3.657 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCCC[NH3+])CCCS2 ZINC000423420613 337716795 /nfs/dbraw/zinc/71/67/95/337716795.db2.gz BPVFXHSNKMDPLL-XJKSGUPXSA-N 2 0 308.491 3.729 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cnc2ccsc2c1 ZINC000423374323 337717275 /nfs/dbraw/zinc/71/72/75/337717275.db2.gz IGZMMIWYYIIHGC-LBPRGKRZSA-N 2 0 309.438 3.750 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc4c(c3)C[NH2+]C4)oc21 ZINC000423395201 337718683 /nfs/dbraw/zinc/71/86/83/337718683.db2.gz RVECUKRAXYZMDK-ZDUSSCGKSA-N 2 0 322.408 3.895 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423436975 337719098 /nfs/dbraw/zinc/71/90/98/337719098.db2.gz MDSXMCIEUKKTDM-HWKXDMQWSA-N 2 0 324.921 3.871 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423450266 337719847 /nfs/dbraw/zinc/71/98/47/337719847.db2.gz XCUWUGCXDPISTF-MDASCCDHSA-N 2 0 302.462 3.513 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423452608 337720096 /nfs/dbraw/zinc/72/00/96/337720096.db2.gz ZHIMZJCNWVBYIN-QGTPRVQTSA-N 2 0 308.416 3.640 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccsc1 ZINC000423465243 337720739 /nfs/dbraw/zinc/72/07/39/337720739.db2.gz HKQNHMNSSZEYEJ-QANKJYHBSA-N 2 0 318.461 3.931 20 0 DHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423475898 337721535 /nfs/dbraw/zinc/72/15/35/337721535.db2.gz IFKUNJBVQBARBH-HOCLYGCPSA-N 2 0 323.278 3.558 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423474993 337721618 /nfs/dbraw/zinc/72/16/18/337721618.db2.gz ZOSZJOMYJAGTIB-SLEUVZQESA-N 2 0 311.267 3.617 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423479198 337721856 /nfs/dbraw/zinc/72/18/56/337721856.db2.gz LYZTUWLDLVNYJF-GXTWGEPZSA-N 2 0 316.367 3.768 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000423482473 337722052 /nfs/dbraw/zinc/72/20/52/337722052.db2.gz PDDSSBINWZHWKW-QWHCGFSZSA-N 2 0 316.367 3.768 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CCC(C(F)(F)F)CC1 ZINC000423491662 337722688 /nfs/dbraw/zinc/72/26/88/337722688.db2.gz ZKCRECPJNYBQRS-PPWQZUPISA-N 2 0 306.416 3.865 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423496766 337723068 /nfs/dbraw/zinc/72/30/68/337723068.db2.gz XOPCLLKIZAKSAT-DAYGRLMNSA-N 2 0 302.462 3.741 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536178 337724788 /nfs/dbraw/zinc/72/47/88/337724788.db2.gz GYDVAXXQBAHVPF-ZDUSSCGKSA-N 2 0 312.379 3.536 20 0 DHADRP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423481506 337724960 /nfs/dbraw/zinc/72/49/60/337724960.db2.gz WWMACEMYNQCDEP-JCHJZTRSSA-N 2 0 304.453 3.543 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1(c2ccccc2)CCCC1 ZINC000423538321 337725097 /nfs/dbraw/zinc/72/50/97/337725097.db2.gz GCGWNJWEBSQQOU-CGBFIWBNSA-N 2 0 312.501 3.865 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CCCC2)o1 ZINC000423539664 337725150 /nfs/dbraw/zinc/72/51/50/337725150.db2.gz IQHNVCPPAMILMY-IMBTUZDBSA-N 2 0 302.462 3.797 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423543074 337725215 /nfs/dbraw/zinc/72/52/15/337725215.db2.gz MTWBRQWBGWRMGZ-SMKXDYDZSA-N 2 0 320.864 3.531 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423547369 337725391 /nfs/dbraw/zinc/72/53/91/337725391.db2.gz PVCQYASBNQBZQW-ZGKBOVNRSA-N 2 0 307.507 3.614 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000536847676 337744116 /nfs/dbraw/zinc/74/41/16/337744116.db2.gz VYGPIMMFTWSHKK-XUVXKRRUSA-N 2 0 322.537 3.703 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)ccn1 ZINC000527635087 337753308 /nfs/dbraw/zinc/75/33/08/337753308.db2.gz UUYHTYXODMFYKW-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000044515867 337810013 /nfs/dbraw/zinc/81/00/13/337810013.db2.gz QXSUBQBOSJZTRM-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP CCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000089215359 337867497 /nfs/dbraw/zinc/86/74/97/337867497.db2.gz PTQCXRSURVXWFE-IBGZPJMESA-N 2 0 324.472 3.824 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000121188958 337887716 /nfs/dbraw/zinc/88/77/16/337887716.db2.gz SGSHEDLVVKBEKQ-GFCCVEGCSA-N 2 0 316.367 3.578 20 0 DHADRP CC[C@@H](C)C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000093079261 337911854 /nfs/dbraw/zinc/91/18/54/337911854.db2.gz BMBNELRAALVHIV-GOSISDBHSA-N 2 0 318.505 3.693 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1 ZINC000122382403 337916259 /nfs/dbraw/zinc/91/62/59/337916259.db2.gz KZGSWBLKKSCTBP-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccccc1N(C)C ZINC000093941539 337923087 /nfs/dbraw/zinc/92/30/87/337923087.db2.gz MPPIQDWCERRQTN-MRXNPFEDSA-N 2 0 311.473 3.665 20 0 DHADRP CSC1(C[NH2+][C@H](C)CCc2ccc(F)cc2)CC[NH+](C)CC1 ZINC000515493438 337990801 /nfs/dbraw/zinc/99/08/01/337990801.db2.gz YGHPTFBPQNPYDT-OAHLLOKOSA-N 2 0 324.509 3.564 20 0 DHADRP CC(C)(C)c1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000516356859 338010641 /nfs/dbraw/zinc/01/06/41/338010641.db2.gz IJJPNBMKNDBEHG-KRWDZBQOSA-N 2 0 300.490 3.601 20 0 DHADRP CCOC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000516497240 338013866 /nfs/dbraw/zinc/01/38/66/338013866.db2.gz LKIJCPMQKKSYED-HKUYNNGSSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000516498771 338013972 /nfs/dbraw/zinc/01/39/72/338013972.db2.gz OARUWHFLSALFKC-AWEZNQCLSA-N 2 0 310.432 3.607 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000425923947 338019026 /nfs/dbraw/zinc/01/90/26/338019026.db2.gz MFFWCFVYWMQJIU-XJKSGUPXSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425949350 338019135 /nfs/dbraw/zinc/01/91/35/338019135.db2.gz FLLPPQGIVYSDJW-UONOGXRCSA-N 2 0 316.411 3.814 20 0 DHADRP CCc1nc(C)c(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)o1 ZINC000428363478 338048769 /nfs/dbraw/zinc/04/87/69/338048769.db2.gz QJZDIKUHYRLPCY-UHFFFAOYSA-N 2 0 321.509 3.879 20 0 DHADRP Cc1cc(F)ccc1C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000428735112 338059981 /nfs/dbraw/zinc/05/99/81/338059981.db2.gz CKFKWSFOGBIMOG-GOSISDBHSA-N 2 0 304.453 3.798 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC000429426022 338080539 /nfs/dbraw/zinc/08/05/39/338080539.db2.gz MBSCCNZFNMUGRY-AWEZNQCLSA-N 2 0 324.896 3.960 20 0 DHADRP COC1(C[C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCC1 ZINC000429434454 338080865 /nfs/dbraw/zinc/08/08/65/338080865.db2.gz RVWHGULXTIWNGY-QGZVFWFLSA-N 2 0 318.505 3.964 20 0 DHADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccc(F)cc4)o3)C2)C1 ZINC000430113774 338097611 /nfs/dbraw/zinc/09/76/11/338097611.db2.gz NTPPRRVBBLLSET-LJQANCHMSA-N 2 0 314.404 3.613 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4ccccc4)c3)C2)C1 ZINC000430115813 338097783 /nfs/dbraw/zinc/09/77/83/338097783.db2.gz GVCAXTQRWRKDPI-OAQYLSRUSA-N 2 0 306.453 3.881 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430123306 338097950 /nfs/dbraw/zinc/09/79/50/338097950.db2.gz QBIULBNJXKTJDF-INIZCTEOSA-N 2 0 312.379 3.541 20 0 DHADRP c1ccc2cc(CC[NH+]3CCC([NH2+]CC4CC4)CC3)ccc2c1 ZINC000430583748 338109340 /nfs/dbraw/zinc/10/93/40/338109340.db2.gz NEFKZVMVOWINEL-UHFFFAOYSA-N 2 0 308.469 3.846 20 0 DHADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000430718088 338112281 /nfs/dbraw/zinc/11/22/81/338112281.db2.gz BJJSKRLNHGMAIL-HHUCQEJWSA-N 2 0 322.537 3.559 20 0 DHADRP Cc1ccc2ncc(C[NH2+]CCC3CC(OC(C)(C)C)C3)n2c1 ZINC000432245957 338150471 /nfs/dbraw/zinc/15/04/71/338150471.db2.gz AEMHQYRUWDKBAP-UHFFFAOYSA-N 2 0 315.461 3.716 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)s1 ZINC000432418693 338155805 /nfs/dbraw/zinc/15/58/05/338155805.db2.gz UPUWNBAFXALZJD-UKRRQHHQSA-N 2 0 310.507 3.516 20 0 DHADRP C[C@H]1C[C@@H](N(C)Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000432754720 338166742 /nfs/dbraw/zinc/16/67/42/338166742.db2.gz NHJGZXWKBFXKAV-QWRGUYRKSA-N 2 0 306.397 3.681 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1C ZINC000433078409 338180553 /nfs/dbraw/zinc/18/05/53/338180553.db2.gz RTPZUEQMAUNTSF-WOJBJXKFSA-N 2 0 312.501 3.942 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CC(C)(C)C3)CC2)cc1 ZINC000433168823 338183873 /nfs/dbraw/zinc/18/38/73/338183873.db2.gz OUZVOYHVIOPGGO-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP Cc1ccc(CC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435618946 338243832 /nfs/dbraw/zinc/24/38/32/338243832.db2.gz RZNHGJICQSZSLN-OAQYLSRUSA-N 2 0 323.484 3.577 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000435746069 338247692 /nfs/dbraw/zinc/24/76/92/338247692.db2.gz SWJWURHCTLWQQF-NZSAHSFTSA-N 2 0 308.510 3.578 20 0 DHADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000435877658 338251361 /nfs/dbraw/zinc/25/13/61/338251361.db2.gz SYWQNVDWNWXSAU-OAHLLOKOSA-N 2 0 300.368 3.842 20 0 DHADRP Cc1ncsc1C[N@H+](CCCC1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000436060582 338256940 /nfs/dbraw/zinc/25/69/40/338256940.db2.gz RGSLNRRQXVICDG-KRWDZBQOSA-N 2 0 321.534 3.833 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436272357 338264779 /nfs/dbraw/zinc/26/47/79/338264779.db2.gz GUGPDPJHTAMUJS-ICSRJNTNSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436471093 338273299 /nfs/dbraw/zinc/27/32/99/338273299.db2.gz QWTDBJFDKVMRPM-MGPUTAFESA-N 2 0 307.441 3.574 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000437762441 338320460 /nfs/dbraw/zinc/32/04/60/338320460.db2.gz KDTLAUNNSVBPFB-UHFFFAOYSA-N 2 0 304.478 3.700 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000437777591 338321025 /nfs/dbraw/zinc/32/10/25/338321025.db2.gz TXSOPQNSGPOYGZ-WXDAQCLHSA-N 2 0 316.489 3.969 20 0 DHADRP CC(C)(C)CC[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000438074356 338329888 /nfs/dbraw/zinc/32/98/88/338329888.db2.gz OWKSPYNLHRULFA-UHFFFAOYSA-N 2 0 317.521 3.615 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000438182894 338335409 /nfs/dbraw/zinc/33/54/09/338335409.db2.gz VCQBYWMAKRLTBB-QZTJIDSGSA-N 2 0 304.478 3.698 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449112556 338594476 /nfs/dbraw/zinc/59/44/76/338594476.db2.gz ROXXLQWYGFMILJ-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449130715 338595822 /nfs/dbraw/zinc/59/58/22/338595822.db2.gz HMBUASAWLFOHFN-SJLPKXTDSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000449133343 338595994 /nfs/dbraw/zinc/59/59/94/338595994.db2.gz DHPRVUNHALZSRE-HLIPFELVSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(C)CC2)CC1 ZINC000449293241 338610155 /nfs/dbraw/zinc/61/01/55/338610155.db2.gz GNXINSJKQUCNOE-KRWDZBQOSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449344628 338615445 /nfs/dbraw/zinc/61/54/45/338615445.db2.gz RXZPRXPNPYBXML-OXJNMPFZSA-N 2 0 324.553 3.806 20 0 DHADRP CO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449344788 338615567 /nfs/dbraw/zinc/61/55/67/338615567.db2.gz SFMIPORENDZMTN-KRWDZBQOSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1csc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000453328247 338825606 /nfs/dbraw/zinc/82/56/06/338825606.db2.gz WSBNRHYRZSNCRD-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@H](C)O1 ZINC000459382626 339026089 /nfs/dbraw/zinc/02/60/89/339026089.db2.gz FXRSMRVJDICCTI-IRXDYDNUSA-N 2 0 316.489 3.543 20 0 DHADRP c1csc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)c1 ZINC000459397579 339027010 /nfs/dbraw/zinc/02/70/10/339027010.db2.gz XOWTWAGFCSLOSM-SFHVURJKSA-N 2 0 313.470 3.853 20 0 DHADRP Cn1cncc1CC[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000459412645 339027746 /nfs/dbraw/zinc/02/77/46/339027746.db2.gz PSTMFDFGUZCQAS-ROJDOSBLSA-N 2 0 315.486 3.982 20 0 DHADRP CC(C)c1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459518244 339033834 /nfs/dbraw/zinc/03/38/34/339033834.db2.gz FNEZWLKKXLJFBY-UHFFFAOYSA-N 2 0 309.457 3.964 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)ccc12 ZINC000459659655 339041057 /nfs/dbraw/zinc/04/10/57/339041057.db2.gz MSAGZUPTFJRKSK-SJLPKXTDSA-N 2 0 306.413 3.545 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728036 339044669 /nfs/dbraw/zinc/04/46/69/339044669.db2.gz CLDFHTSKIZBYSW-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000459734959 339045114 /nfs/dbraw/zinc/04/51/14/339045114.db2.gz PBIMHOWARZINQF-HNNXBMFYSA-N 2 0 315.486 3.632 20 0 DHADRP CCC(CC)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000461797609 339067247 /nfs/dbraw/zinc/06/72/47/339067247.db2.gz SJCMVBLNTMFIFB-UHFFFAOYSA-N 2 0 317.521 3.675 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000462512064 339080350 /nfs/dbraw/zinc/08/03/50/339080350.db2.gz OYXRVJBGCTZUOU-QGZVFWFLSA-N 2 0 309.457 3.916 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000462687976 339084114 /nfs/dbraw/zinc/08/41/14/339084114.db2.gz SVZUZVMIBGTUJY-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000462688691 339084154 /nfs/dbraw/zinc/08/41/54/339084154.db2.gz UHKFDGWDQLTJKV-UHFFFAOYSA-N 2 0 304.478 3.685 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000462786908 339088675 /nfs/dbraw/zinc/08/86/75/339088675.db2.gz FCISUKPAYSOGEH-HSALFYBXSA-N 2 0 322.537 3.683 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CCCCC1 ZINC000462791492 339088908 /nfs/dbraw/zinc/08/89/08/339088908.db2.gz LHZPCVBKXIKIQO-IPMKNSEASA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000462802928 339089832 /nfs/dbraw/zinc/08/98/32/339089832.db2.gz IWCOPNYLCVYKJE-KURKYZTESA-N 2 0 310.526 3.680 20 0 DHADRP C[N@H+](CCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857080 339158234 /nfs/dbraw/zinc/15/82/34/339158234.db2.gz VKSUHJFECSTRTB-NRFANRHFSA-N 2 0 308.469 3.683 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000467312039 339231186 /nfs/dbraw/zinc/23/11/86/339231186.db2.gz ZFUSGFBEVXCXTM-RTBURBONSA-N 2 0 315.505 3.882 20 0 DHADRP C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000468028026 339251527 /nfs/dbraw/zinc/25/15/27/339251527.db2.gz UZTGINNHIBEEGN-STQMWFEESA-N 2 0 318.383 3.619 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000468027180 339251532 /nfs/dbraw/zinc/25/15/32/339251532.db2.gz RSPDXIFIOTVNQV-HBUWYVDXSA-N 2 0 300.446 3.602 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000469004097 339277364 /nfs/dbraw/zinc/27/73/64/339277364.db2.gz LXCBVPATZLTHBD-BLLLJJGKSA-N 2 0 315.288 3.856 20 0 DHADRP COC(C)(C)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000469732057 339297056 /nfs/dbraw/zinc/29/70/56/339297056.db2.gz XWUVZHSRKLHUMT-MJGOQNOKSA-N 2 0 318.505 3.786 20 0 DHADRP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000469880602 339303574 /nfs/dbraw/zinc/30/35/74/339303574.db2.gz NXKOKZVTIROTPZ-LPHOPBHVSA-N 2 0 302.462 3.612 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000470165057 339312368 /nfs/dbraw/zinc/31/23/68/339312368.db2.gz CTSANDQPNJQAPN-LIRRHRJNSA-N 2 0 313.489 3.913 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000470300307 339316668 /nfs/dbraw/zinc/31/66/68/339316668.db2.gz VDOIENFTWFIWJM-STQMWFEESA-N 2 0 302.384 3.566 20 0 DHADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000472569152 339373970 /nfs/dbraw/zinc/37/39/70/339373970.db2.gz YCRCGBWCZJJGPE-HHXXYDBFSA-N 2 0 304.453 3.878 20 0 DHADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000473250061 339384007 /nfs/dbraw/zinc/38/40/07/339384007.db2.gz KYPDYGWDOHBEQM-SFHVURJKSA-N 2 0 319.493 3.634 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000474032212 339397872 /nfs/dbraw/zinc/39/78/72/339397872.db2.gz JJOAHMFUPKEXEB-OAHLLOKOSA-N 2 0 302.453 3.912 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000474057184 339399769 /nfs/dbraw/zinc/39/97/69/339399769.db2.gz ORCHBCSNRXVHHF-LJQANCHMSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](C)C1CCCCC1 ZINC000474794429 339426176 /nfs/dbraw/zinc/42/61/76/339426176.db2.gz JIKXECZBUUKPLB-FGTMMUONSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000475553540 339454836 /nfs/dbraw/zinc/45/48/36/339454836.db2.gz LHIXPMGZSZJILE-QFBILLFUSA-N 2 0 304.453 3.926 20 0 DHADRP COC1(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCCCC1 ZINC000480286619 339567260 /nfs/dbraw/zinc/56/72/60/339567260.db2.gz VNAUPNUHDPPBBN-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000480443373 339573205 /nfs/dbraw/zinc/57/32/05/339573205.db2.gz VGIJBSBSOSBDPR-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H](CC[NH+](C)C)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000482243165 339627253 /nfs/dbraw/zinc/62/72/53/339627253.db2.gz NRGRSJBPCVRWKH-LBPRGKRZSA-N 2 0 303.277 3.856 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000482515737 339634436 /nfs/dbraw/zinc/63/44/36/339634436.db2.gz YNNLALPXGOLPAP-AUUYWEPGSA-N 2 0 304.453 3.771 20 0 DHADRP C[C@H]1C[C@H]1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000488472657 339784592 /nfs/dbraw/zinc/78/45/92/339784592.db2.gz XFCDGUHBKJFEPA-YOEHRIQHSA-N 2 0 306.881 3.798 20 0 DHADRP CSc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501807119 340089198 /nfs/dbraw/zinc/08/91/98/340089198.db2.gz VQOBKAPFKPRXLZ-UHFFFAOYSA-N 2 0 306.519 3.962 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCOC)c1 ZINC000502688638 340110619 /nfs/dbraw/zinc/11/06/19/340110619.db2.gz YBOGAMHTCUTIAO-WOJBJXKFSA-N 2 0 318.505 3.823 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCOC)c1 ZINC000502688637 340110621 /nfs/dbraw/zinc/11/06/21/340110621.db2.gz YBOGAMHTCUTIAO-VQTJNVASSA-N 2 0 318.505 3.823 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000502712009 340112006 /nfs/dbraw/zinc/11/20/06/340112006.db2.gz LVKIPHFXEDGHDA-INIZCTEOSA-N 2 0 318.509 3.771 20 0 DHADRP COc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)[C@H](C)C2CC2)cc1 ZINC000502719490 340112024 /nfs/dbraw/zinc/11/20/24/340112024.db2.gz BWTSYUNOFSPCGF-VQIMIIECSA-N 2 0 316.489 3.780 20 0 DHADRP CC[C@H](C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000503004775 340118440 /nfs/dbraw/zinc/11/84/40/340118440.db2.gz KTQUNTGUOCBOIN-CEXWTWQISA-N 2 0 318.505 3.659 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000503024317 340118990 /nfs/dbraw/zinc/11/89/90/340118990.db2.gz MZZYUGCSYGZVKD-RLLQIKCJSA-N 2 0 300.490 3.748 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CCCc1ccccc1 ZINC000503073635 340120310 /nfs/dbraw/zinc/12/03/10/340120310.db2.gz NVPIIKGUTGASHW-PMACEKPBSA-N 2 0 300.490 3.958 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000503573399 340131242 /nfs/dbraw/zinc/13/12/42/340131242.db2.gz KKQGCWFGRRTCCJ-AZUAARDMSA-N 2 0 318.505 3.822 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC000503855065 340135106 /nfs/dbraw/zinc/13/51/06/340135106.db2.gz JPODDGLVLRSBEC-JCNLHEQBSA-N 2 0 320.452 3.544 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000401069950 340161955 /nfs/dbraw/zinc/16/19/55/340161955.db2.gz MTPPRCHQXFOBQV-ADSMDIBLSA-N 2 0 312.379 3.744 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000506861215 340202960 /nfs/dbraw/zinc/20/29/60/340202960.db2.gz KKZSXXZWHXTLPY-VQTJNVASSA-N 2 0 300.490 3.844 20 0 DHADRP COc1ccc2ccccc2c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506858327 340202980 /nfs/dbraw/zinc/20/29/80/340202980.db2.gz AMQSMAVNOIJREE-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP Cc1cc([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C2CC2)ccc1F ZINC000507486461 340222353 /nfs/dbraw/zinc/22/23/53/340222353.db2.gz VSNCBWREEOZKML-GOSISDBHSA-N 2 0 304.453 3.907 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000507798873 340231859 /nfs/dbraw/zinc/23/18/59/340231859.db2.gz SMGTWDNEUJYRML-VQTJNVASSA-N 2 0 322.537 3.780 20 0 DHADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000507802427 340232108 /nfs/dbraw/zinc/23/21/08/340232108.db2.gz HDAPAQAZQVATSU-HSALFYBXSA-N 2 0 322.537 3.780 20 0 DHADRP CC(C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000508534460 340246116 /nfs/dbraw/zinc/24/61/16/340246116.db2.gz OJZILYPIFFNVMB-LJQANCHMSA-N 2 0 318.505 3.885 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509924189 340282870 /nfs/dbraw/zinc/28/28/70/340282870.db2.gz CIQJFUZHDMVZFF-KZNAEPCWSA-N 2 0 318.505 3.671 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000302832529 340283271 /nfs/dbraw/zinc/28/32/71/340283271.db2.gz IOLZBPAPYOQBAX-KRWDZBQOSA-N 2 0 312.457 3.868 20 0 DHADRP CC1(C)CC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC(C)(C)[NH2+]1 ZINC000510207637 340292534 /nfs/dbraw/zinc/29/25/34/340292534.db2.gz LETRCVQMFCTMDC-WAYWQWQTSA-N 2 0 308.416 3.877 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510707779 340307436 /nfs/dbraw/zinc/30/74/36/340307436.db2.gz YGTWKPOSJVYJMK-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000510735346 340308791 /nfs/dbraw/zinc/30/87/91/340308791.db2.gz NTROWCVGFXHOCQ-KFWWJZLASA-N 2 0 308.416 3.502 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+](C)C ZINC000510747607 340309363 /nfs/dbraw/zinc/30/93/63/340309363.db2.gz GMNJASMTIWUDHX-AWEZNQCLSA-N 2 0 316.411 3.958 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)c1 ZINC000510753714 340309779 /nfs/dbraw/zinc/30/97/79/340309779.db2.gz PAUJGVKSBZTBMX-PKOBYXMFSA-N 2 0 322.468 3.635 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000510871826 340313480 /nfs/dbraw/zinc/31/34/80/340313480.db2.gz ITVKXRIOAZFGJZ-MBOZVWFJSA-N 2 0 324.468 3.748 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000510873906 340313665 /nfs/dbraw/zinc/31/36/65/340313665.db2.gz HPPHQUQWSZFTOC-VKAVYKQESA-N 2 0 316.489 3.558 20 0 DHADRP COCC[C@H]([NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979608 340316916 /nfs/dbraw/zinc/31/69/16/340316916.db2.gz VTMQAKSCQSUXAG-QRQLOZEOSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)CC3CCCC3)CC2)C1 ZINC000511036040 340318863 /nfs/dbraw/zinc/31/88/63/340318863.db2.gz ZOYLUUZXNXQFIV-LSTHTHJFSA-N 2 0 322.537 3.560 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)c1 ZINC000512134202 340349610 /nfs/dbraw/zinc/34/96/10/340349610.db2.gz YNNIUQZRPRFIGL-DAXSKMNVSA-N 2 0 316.395 3.829 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000173405786 340364337 /nfs/dbraw/zinc/36/43/37/340364337.db2.gz YRISNCCGMNYNAD-QZTJIDSGSA-N 2 0 324.896 3.618 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CCO)CCCC3)CC2)C1 ZINC000512964856 340385918 /nfs/dbraw/zinc/38/59/18/340385918.db2.gz WCSNMBWAOLLFBE-IEBWSBKVSA-N 2 0 322.537 3.562 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2SCCc3ccccc32)CC1 ZINC000513017169 340388715 /nfs/dbraw/zinc/38/87/15/340388715.db2.gz JBVWZFYAJUJNDI-SFHVURJKSA-N 2 0 318.530 3.870 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(O)CCCCCC3)CC2)C1 ZINC000513207681 340397241 /nfs/dbraw/zinc/39/72/41/340397241.db2.gz DIOOSQYPZIONTO-HKUYNNGSSA-N 2 0 322.537 3.704 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000226347856 340583199 /nfs/dbraw/zinc/58/31/99/340583199.db2.gz BFPTVOJIDUYTEK-QLFBSQMISA-N 2 0 312.910 3.844 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000227328005 340597991 /nfs/dbraw/zinc/59/79/91/340597991.db2.gz LWUPUNYDCOIXPB-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000525180961 340693796 /nfs/dbraw/zinc/69/37/96/340693796.db2.gz SMMORDHRQFVLKU-WMZOPIPTSA-N 2 0 304.478 3.685 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530244683 340783542 /nfs/dbraw/zinc/78/35/42/340783542.db2.gz MRJUMWZWVOFBFK-BRSBDYLESA-N 2 0 304.865 3.838 20 0 DHADRP CC(C)c1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000062252921 340792187 /nfs/dbraw/zinc/79/21/87/340792187.db2.gz VFSPUSXODHZQRN-ROUUACIJSA-N 2 0 318.505 3.789 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125418237 340804033 /nfs/dbraw/zinc/80/40/33/340804033.db2.gz ZOPJHHNQSXOLGG-MRXNPFEDSA-N 2 0 304.478 3.856 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000126248495 340825432 /nfs/dbraw/zinc/82/54/32/340825432.db2.gz CAJDPVRRDUSZSY-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP CCCC1(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000540160054 340918877 /nfs/dbraw/zinc/91/88/77/340918877.db2.gz RWCUZQIUANMPDT-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000068635328 340919842 /nfs/dbraw/zinc/91/98/42/340919842.db2.gz VNCYHOLCUKCTAT-NFOMZHRRSA-N 2 0 306.416 3.819 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540168447 340919916 /nfs/dbraw/zinc/91/99/16/340919916.db2.gz KBEXZIKKZMNSSL-JFIYKMOQSA-N 2 0 304.478 3.856 20 0 DHADRP c1ccc2c(c1)CC[C@H](C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2 ZINC000541053493 340957800 /nfs/dbraw/zinc/95/78/00/340957800.db2.gz IOVKYNLFYWAWOI-IBGZPJMESA-N 2 0 312.501 3.599 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000541742136 340981941 /nfs/dbraw/zinc/98/19/41/340981941.db2.gz ZRTVWNGYRPINOI-MRXNPFEDSA-N 2 0 318.461 3.750 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)Cc1ccccc1 ZINC000542517594 341011653 /nfs/dbraw/zinc/01/16/53/341011653.db2.gz GBACAACBMHZDLC-MRXNPFEDSA-N 2 0 314.448 3.856 20 0 DHADRP C[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533375 341012412 /nfs/dbraw/zinc/01/24/12/341012412.db2.gz UXTWCWIUBUJKSI-UONOGXRCSA-N 2 0 306.416 3.962 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000543426989 341043970 /nfs/dbraw/zinc/04/39/70/341043970.db2.gz PSOOUSXNYIAYKD-NEWSRXKRSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000543426986 341044035 /nfs/dbraw/zinc/04/40/35/341044035.db2.gz PSOOUSXNYIAYKD-BHIYHBOVSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000543426459 341044067 /nfs/dbraw/zinc/04/40/67/341044067.db2.gz AXLCOLAFYQYJEI-LPHOPBHVSA-N 2 0 321.468 3.724 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131210489 341065802 /nfs/dbraw/zinc/06/58/02/341065802.db2.gz NUPSUPCZHVAXMH-DLBZAZTESA-N 2 0 318.505 3.897 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000133031440 341152272 /nfs/dbraw/zinc/15/22/72/341152272.db2.gz ALMARLXULLIQIB-BEFAXECRSA-N 2 0 302.437 3.621 20 0 DHADRP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000548155754 341249926 /nfs/dbraw/zinc/24/99/26/341249926.db2.gz QIBIQQYOMOKXHZ-IEBWSBKVSA-N 2 0 312.457 3.631 20 0 DHADRP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000548155755 341250027 /nfs/dbraw/zinc/25/00/27/341250027.db2.gz QIBIQQYOMOKXHZ-MJGOQNOKSA-N 2 0 312.457 3.631 20 0 DHADRP CC(C)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000548805819 341276436 /nfs/dbraw/zinc/27/64/36/341276436.db2.gz ATWCQCGDZJYHKX-IBGZPJMESA-N 2 0 304.453 3.987 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000549142491 341287154 /nfs/dbraw/zinc/28/71/54/341287154.db2.gz JPTDBJBDIPKYDC-QGZVFWFLSA-N 2 0 309.457 3.774 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000549142490 341287192 /nfs/dbraw/zinc/28/71/92/341287192.db2.gz JPTDBJBDIPKYDC-KRWDZBQOSA-N 2 0 309.457 3.774 20 0 DHADRP C[C@H]1CC(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000549226478 341289067 /nfs/dbraw/zinc/28/90/67/341289067.db2.gz YPGGYEOLRAWYPE-HOTGVXAUSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CC(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000549612052 341299006 /nfs/dbraw/zinc/29/90/06/341299006.db2.gz UTLYPLOYCDYLEK-IAGOWNOFSA-N 2 0 322.537 3.967 20 0 DHADRP C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)CC[NH+]1CCCCC1 ZINC000245614789 341305487 /nfs/dbraw/zinc/30/54/87/341305487.db2.gz LGFYLZZUDVXKJM-IPMKNSEASA-N 2 0 320.521 3.580 20 0 DHADRP CCOC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000550881848 341325282 /nfs/dbraw/zinc/32/52/82/341325282.db2.gz DTOBGSPJJWXFPU-IEBWSBKVSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccncc1F ZINC000551064396 341330702 /nfs/dbraw/zinc/33/07/02/341330702.db2.gz ZRCSHOXHAAPFTC-RLFYNMQTSA-N 2 0 307.457 3.772 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000246169924 341331251 /nfs/dbraw/zinc/33/12/51/341331251.db2.gz VFQUQQIYLCKUHH-UZLBHIALSA-N 2 0 316.489 3.856 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000551262588 341335792 /nfs/dbraw/zinc/33/57/92/341335792.db2.gz DAOKNNDEXHAHDV-KRWDZBQOSA-N 2 0 320.452 3.677 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000551265700 341336067 /nfs/dbraw/zinc/33/60/67/341336067.db2.gz YRMTYADLXRGKKP-DSLXNQLJSA-N 2 0 304.453 3.625 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551516392 341343506 /nfs/dbraw/zinc/34/35/06/341343506.db2.gz OOGODXVNZKTOEU-QZTJIDSGSA-N 2 0 316.489 3.554 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(C)ccc2OC)C1 ZINC000246431048 341348567 /nfs/dbraw/zinc/34/85/67/341348567.db2.gz NXXPHIGENSHQLQ-SJLPKXTDSA-N 2 0 304.478 3.776 20 0 DHADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000246443906 341348978 /nfs/dbraw/zinc/34/89/78/341348978.db2.gz ORECOTZOJCLULL-CJGGRQNCSA-N 2 0 322.537 3.559 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000261551714 341353594 /nfs/dbraw/zinc/35/35/94/341353594.db2.gz QVZDHBSFGFVLJM-RBUKOAKNSA-N 2 0 310.441 3.625 20 0 DHADRP CC[C@@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2CC)COC1 ZINC000246679264 341355546 /nfs/dbraw/zinc/35/55/46/341355546.db2.gz JUHCCVLGSIOYJH-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000246864634 341357975 /nfs/dbraw/zinc/35/79/75/341357975.db2.gz CQRPLHAMQNSHDA-KLZNWCGWSA-N 2 0 324.896 3.816 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246896233 341358315 /nfs/dbraw/zinc/35/83/15/341358315.db2.gz FBHGLGNMEZZDME-MDZRGWNJSA-N 2 0 302.462 3.535 20 0 DHADRP Cc1cccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000246958082 341359179 /nfs/dbraw/zinc/35/91/79/341359179.db2.gz ISDFNPZJDFOPKA-BZSNNMDCSA-N 2 0 304.478 3.535 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247162156 341361661 /nfs/dbraw/zinc/36/16/61/341361661.db2.gz XVYOKSSALSEFCH-BZSNNMDCSA-N 2 0 304.478 3.535 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)c(F)c2)C1 ZINC000247248216 341362653 /nfs/dbraw/zinc/36/26/53/341362653.db2.gz ZLVYRFGUENTYGW-KGLIPLIRSA-N 2 0 310.482 3.930 20 0 DHADRP C[C@@H]1C[C@H](N[C@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000247340142 341363641 /nfs/dbraw/zinc/36/36/41/341363641.db2.gz NSOUJGZPKWAIMK-CDHQVMDDSA-N 2 0 312.432 3.987 20 0 DHADRP COCc1ccccc1/C=C(\C)C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000552043891 341364481 /nfs/dbraw/zinc/36/44/81/341364481.db2.gz FMSJMAIHIDVTPJ-VJTMMXLYSA-N 2 0 316.489 3.508 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552063342 341366512 /nfs/dbraw/zinc/36/65/12/341366512.db2.gz XKJPGMBSNSZPSZ-XUVXKRRUSA-N 2 0 315.505 3.813 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc2n[nH]cc2c1 ZINC000552097320 341369652 /nfs/dbraw/zinc/36/96/52/341369652.db2.gz ZSVYCNKSAPFNQD-CQSZACIVSA-N 2 0 312.461 3.621 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000552244518 341380947 /nfs/dbraw/zinc/38/09/47/341380947.db2.gz CYQDMJCSIMSUBS-HNNXBMFYSA-N 2 0 324.459 3.998 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000552277544 341383430 /nfs/dbraw/zinc/38/34/30/341383430.db2.gz XWOSCBDWLDISFS-SYJJWHGVSA-N 2 0 324.459 3.996 20 0 DHADRP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249082761 341393360 /nfs/dbraw/zinc/39/33/60/341393360.db2.gz HUJDSJOGAXURGY-HKUYNNGSSA-N 2 0 310.441 3.769 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000249144414 341394675 /nfs/dbraw/zinc/39/46/75/341394675.db2.gz SRXFNZMLYHERSC-IMJJTQAJSA-N 2 0 314.395 3.652 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000250699012 341407201 /nfs/dbraw/zinc/40/72/01/341407201.db2.gz SAGPGXUUZQOAGN-ARFHVFGLSA-N 2 0 306.519 3.926 20 0 DHADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000250757771 341407960 /nfs/dbraw/zinc/40/79/60/341407960.db2.gz NOKWZCOUTGKWJA-IAOVAPTHSA-N 2 0 310.844 3.880 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccn2)cc1 ZINC000564823609 341510660 /nfs/dbraw/zinc/51/06/60/341510660.db2.gz KLKZDKKLRHONFR-GZNCHQMQSA-N 2 0 323.484 3.781 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000266866071 341588710 /nfs/dbraw/zinc/58/87/10/341588710.db2.gz MCLVHJZWLBSXNQ-JKSUJKDBSA-N 2 0 322.493 3.865 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000268839109 341604725 /nfs/dbraw/zinc/60/47/25/341604725.db2.gz YZBRIIYOOLKDKU-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1Br ZINC000567734503 341630458 /nfs/dbraw/zinc/63/04/58/341630458.db2.gz MOMUQLHKKWHKFY-UHFFFAOYSA-N 2 0 319.246 3.506 20 0 DHADRP CSC1(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC[NH+](C)CC1 ZINC000568497337 341672973 /nfs/dbraw/zinc/67/29/73/341672973.db2.gz SMDGKCVJUVQBLU-INIZCTEOSA-N 2 0 320.546 3.770 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000568580686 341675690 /nfs/dbraw/zinc/67/56/90/341675690.db2.gz MZTOIOKFJGEEKG-LJQANCHMSA-N 2 0 306.469 3.714 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000577004923 341875178 /nfs/dbraw/zinc/87/51/78/341875178.db2.gz OHJPXKIUZLRFFU-UONOGXRCSA-N 2 0 308.416 3.636 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577513443 341914838 /nfs/dbraw/zinc/91/48/38/341914838.db2.gz NWHCGTTYZHJNLF-XJKSGUPXSA-N 2 0 324.415 3.671 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])CC3 ZINC000578005260 341968349 /nfs/dbraw/zinc/96/83/49/341968349.db2.gz XELBRDYRNGJDMU-LIVBEALHSA-N 2 0 311.473 3.583 20 0 DHADRP CC(C)Cc1ncc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339501673 519463990 /nfs/dbraw/zinc/46/39/90/519463990.db2.gz YTYQSLZTBRDDQV-UHFFFAOYSA-N 2 0 309.523 3.697 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000181921020 519733567 /nfs/dbraw/zinc/73/35/67/519733567.db2.gz LQFXPENJOQFSMV-CVEARBPZSA-N 2 0 317.477 3.560 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000131307476 520630336 /nfs/dbraw/zinc/63/03/36/520630336.db2.gz ZNDKBUNXDMLCCY-ZMPRRUGASA-N 2 0 324.534 3.585 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000181906700 520631458 /nfs/dbraw/zinc/63/14/58/520631458.db2.gz WXGNBRNYISZEKR-HZPDHXFCSA-N 2 0 319.493 3.806 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000249377568 521711426 /nfs/dbraw/zinc/71/14/26/521711426.db2.gz MHRMYQZDIIUXGL-OLZOCXBDSA-N 2 0 316.367 3.578 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000125405205 523760085 /nfs/dbraw/zinc/76/00/85/523760085.db2.gz TZKCBSJBEPPPOO-GOSISDBHSA-N 2 0 314.473 3.754 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3csc4ccccc34)C2)C1 ZINC000339440415 523860029 /nfs/dbraw/zinc/86/00/29/523860029.db2.gz XLGVFSONFSKRCC-SFHVURJKSA-N 2 0 300.471 3.819 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2ccncc2)CC1 ZINC000159068623 524097161 /nfs/dbraw/zinc/09/71/61/524097161.db2.gz BTZNWAGCDORAKR-GOSISDBHSA-N 2 0 315.505 3.601 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C[NH+]1CCCCC1 ZINC000337330099 524498928 /nfs/dbraw/zinc/49/89/28/524498928.db2.gz GEPWHLPBAKLLNU-WSTZPKSXSA-N 2 0 315.505 3.819 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226331938 524845205 /nfs/dbraw/zinc/84/52/05/524845205.db2.gz KCZVPSFPMRDSSZ-SGMGOOAPSA-N 2 0 300.368 3.826 20 0 DHADRP Cc1ccccc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000157127789 525167774 /nfs/dbraw/zinc/16/77/74/525167774.db2.gz AMYRMTWFELSZBF-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000156751810 525339880 /nfs/dbraw/zinc/33/98/80/525339880.db2.gz YUEDWAKIWWULOX-HZPDHXFCSA-N 2 0 304.478 3.650 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000164178066 525462402 /nfs/dbraw/zinc/46/24/02/525462402.db2.gz OGZWTPKOQHOHBW-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CCC2 ZINC000268760369 525590105 /nfs/dbraw/zinc/59/01/05/525590105.db2.gz NEPURWZILWZVBF-OAQYLSRUSA-N 2 0 324.468 3.924 20 0 DHADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000298372478 535147102 /nfs/dbraw/zinc/14/71/02/535147102.db2.gz KUABJGINEIAMMI-UHFFFAOYSA-N 2 0 323.484 3.909 20 0 DHADRP CC1CC[NH+](Cc2cccc(C[NH2+]CCC[C@H]3CCO3)c2)CC1 ZINC000638567553 1013164163 /nfs/dbraw/zinc/16/41/63/1013164163.db2.gz OVBZBRFSXGRNIK-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1cnccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000295831050 1013188715 /nfs/dbraw/zinc/18/87/15/1013188715.db2.gz VIBBIXCDOGZYQF-QZTJIDSGSA-N 2 0 323.484 3.636 20 0 DHADRP c1coc(CSCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167964046 1013198111 /nfs/dbraw/zinc/19/81/11/1013198111.db2.gz MALHVGAWKDHIES-ALOPSCKCSA-N 2 0 320.502 3.508 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCS2 ZINC000037649408 1013206356 /nfs/dbraw/zinc/20/63/56/1013206356.db2.gz RULDNJQMCZAOLM-BLLLJJGKSA-N 2 0 322.905 3.951 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000120591392 1013304274 /nfs/dbraw/zinc/30/42/74/1013304274.db2.gz LLMBCPGRPGJZCT-CHWSQXEVSA-N 2 0 312.404 3.669 20 0 DHADRP Clc1scc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1Cl ZINC000415013972 1013335364 /nfs/dbraw/zinc/33/53/64/1013335364.db2.gz WCTYVRNWSKHGSK-WDEREUQCSA-N 2 0 305.274 3.533 20 0 DHADRP c1ccc(C2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167967629 1013342030 /nfs/dbraw/zinc/34/20/30/1013342030.db2.gz IZROEGVZVMVPTR-AFQACZAZSA-N 2 0 310.485 3.928 20 0 DHADRP c1cc2ccncc2c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167969388 1013374879 /nfs/dbraw/zinc/37/48/79/1013374879.db2.gz BQBJWVPKAJECAS-IHWFROFDSA-N 2 0 321.468 3.730 20 0 DHADRP C[N@H+]1CC[C@H]2C[NH+](Cc3c[nH]c4ccc(Cl)cc34)C[C@H]2CC1 ZINC001279407208 1013412110 /nfs/dbraw/zinc/41/21/10/1013412110.db2.gz ZJQGQJQACJSDQI-OKILXGFUSA-N 2 0 317.864 3.595 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccncc2C)CC1)CC1CC1 ZINC000519864112 1013617340 /nfs/dbraw/zinc/61/73/40/1013617340.db2.gz JYFWJJBEGCLCTP-UHFFFAOYSA-N 2 0 315.505 3.724 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CS1 ZINC000655686003 1013639047 /nfs/dbraw/zinc/63/90/47/1013639047.db2.gz WSFVFWAWXNNCDT-QAPCUYQASA-N 2 0 304.503 3.656 20 0 DHADRP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925095474 1013643372 /nfs/dbraw/zinc/64/33/72/1013643372.db2.gz UHLKSHYWPFIISV-HLIPFELVSA-N 2 0 320.521 3.602 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CCCC[NH+](C)C)s2)cc1C ZINC000655721602 1013664744 /nfs/dbraw/zinc/66/47/44/1013664744.db2.gz QJNMQPAPMMPFQB-UHFFFAOYSA-N 2 0 317.502 3.858 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-c2ccncc2)cc1 ZINC000655804801 1013723080 /nfs/dbraw/zinc/72/30/80/1013723080.db2.gz BZUMZKMGOBXMMW-QINHECLXSA-N 2 0 309.457 3.739 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000655804102 1013727923 /nfs/dbraw/zinc/72/79/23/1013727923.db2.gz PLNAZNZKSYKTRG-RNIPGJKVSA-N 2 0 320.908 3.981 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000655805543 1013723862 /nfs/dbraw/zinc/72/38/62/1013723862.db2.gz IXNINBYAVASUQO-TYNCELHUSA-N 2 0 310.894 3.807 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000655804883 1013724026 /nfs/dbraw/zinc/72/40/26/1013724026.db2.gz DYMHUIUZEHHIHE-KYNGSXCRSA-N 2 0 304.453 3.987 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806713 1013725158 /nfs/dbraw/zinc/72/51/58/1013725158.db2.gz ZQKPTYCOLHWGHO-XYJFISCASA-N 2 0 304.478 3.712 20 0 DHADRP c1cc2c(s1)CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167995845 1013799412 /nfs/dbraw/zinc/79/94/12/1013799412.db2.gz RWZHFPICKVIQDJ-SJPCQFCGSA-N 2 0 302.487 3.512 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340461662 1013819909 /nfs/dbraw/zinc/81/99/09/1013819909.db2.gz KZOFXKQIDRGMOW-VQIMIIECSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1F ZINC000340471208 1013839246 /nfs/dbraw/zinc/83/92/46/1013839246.db2.gz SYIJRHYKDWZXQK-OAGGEKHMSA-N 2 0 307.457 3.629 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340473368 1013846922 /nfs/dbraw/zinc/84/69/22/1013846922.db2.gz BNTGFLLIXAFEDN-HNNXBMFYSA-N 2 0 321.534 3.939 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)c1 ZINC000340475422 1013856594 /nfs/dbraw/zinc/85/65/94/1013856594.db2.gz QVDIRFYIBKFNNU-QFBILLFUSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@]1(C)CCCO1 ZINC000340476899 1013860055 /nfs/dbraw/zinc/86/00/55/1013860055.db2.gz VAEQPYMDFPWYIO-XLIONFOSSA-N 2 0 316.489 3.720 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(C)(C)C ZINC000340477756 1013860912 /nfs/dbraw/zinc/86/09/12/1013860912.db2.gz HQRIUQOEZLRHJX-AEFFLSMTSA-N 2 0 304.478 3.726 20 0 DHADRP c1cc2cc(C[NH2+]CCCCC[NH+]3CCCCC3)ccc2cn1 ZINC000683770115 1013978165 /nfs/dbraw/zinc/97/81/65/1013978165.db2.gz KPLJCBPYJDMQDI-UHFFFAOYSA-N 2 0 311.473 3.981 20 0 DHADRP c1cc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2cn1 ZINC000683831290 1014053006 /nfs/dbraw/zinc/05/30/06/1014053006.db2.gz QLXMMDSJMYZNAR-FQEVSTJZSA-N 2 0 309.457 3.685 20 0 DHADRP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656198740 1014104981 /nfs/dbraw/zinc/10/49/81/1014104981.db2.gz GULFIMAHTIXJSY-YDHLFZDLSA-N 2 0 300.368 3.848 20 0 DHADRP C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000683930530 1014120919 /nfs/dbraw/zinc/12/09/19/1014120919.db2.gz QQBRYSPHAGAUJN-WBVHZDCISA-N 2 0 311.473 3.911 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@H]2CCC[C@H]21 ZINC000624273293 1014134630 /nfs/dbraw/zinc/13/46/30/1014134630.db2.gz ZCTFUNYSYSQADP-HZSPNIEDSA-N 2 0 304.400 3.572 20 0 DHADRP Clc1ccccc1CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441466130 1014172898 /nfs/dbraw/zinc/17/28/98/1014172898.db2.gz BZXOLEDHLKHNQQ-MRXNPFEDSA-N 2 0 306.881 3.690 20 0 DHADRP Cc1ccc(C[NH+](C)C/C=C/C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000134088548 1014213227 /nfs/dbraw/zinc/21/32/27/1014213227.db2.gz IARLZEJANDLDNN-AATRIKPKSA-N 2 0 302.418 3.609 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000639082886 1014304728 /nfs/dbraw/zinc/30/47/28/1014304728.db2.gz ZXGJADDVBHEUOT-IBGZPJMESA-N 2 0 316.489 3.713 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC(F)(F)CC1 ZINC000656278839 1014307696 /nfs/dbraw/zinc/30/76/96/1014307696.db2.gz VHCYUBRZLSDPED-AWEZNQCLSA-N 2 0 323.431 3.854 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000520648505 1014400240 /nfs/dbraw/zinc/40/02/40/1014400240.db2.gz BVZHCVOLLMHGGP-ZWKOTPCHSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006650 1014421444 /nfs/dbraw/zinc/42/14/44/1014421444.db2.gz NWBZDDZEFISPAK-CSFFLVESSA-N 2 0 304.453 3.908 20 0 DHADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665234505 1014505987 /nfs/dbraw/zinc/50/59/87/1014505987.db2.gz DZVKPBWAAQAVDO-CXAGYDPISA-N 2 0 315.436 3.660 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246493 1014541760 /nfs/dbraw/zinc/54/17/60/1014541760.db2.gz GRNVTDKLNYACHZ-ZDUSSCGKSA-N 2 0 314.395 3.888 20 0 DHADRP C[C@@H](NCC1([NH3+])CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000665249634 1014553525 /nfs/dbraw/zinc/55/35/25/1014553525.db2.gz VGRKYQREJSAVFU-SNVBAGLBSA-N 2 0 318.795 3.864 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000665272304 1014633440 /nfs/dbraw/zinc/63/34/40/1014633440.db2.gz CBYPTHOYVHAHKE-BDAKNGLRSA-N 2 0 308.310 3.755 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000665280813 1014669149 /nfs/dbraw/zinc/66/91/49/1014669149.db2.gz MHBGIPGSKYHAME-BFHYXJOUSA-N 2 0 305.491 3.751 20 0 DHADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000665281591 1014673465 /nfs/dbraw/zinc/67/34/65/1014673465.db2.gz HESGFKNRJQEYLA-MAUKXSAKSA-N 2 0 313.445 3.898 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000665282424 1014681752 /nfs/dbraw/zinc/68/17/52/1014681752.db2.gz XZMKDOWSDVIKMJ-IUODEOHRSA-N 2 0 302.384 3.599 20 0 DHADRP CCN(C)CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781738 1014729714 /nfs/dbraw/zinc/72/97/14/1014729714.db2.gz PWGGKQSLXHCUAX-ZBFHGGJFSA-N 2 0 314.395 3.883 20 0 DHADRP FC(F)C1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000442782661 1014731099 /nfs/dbraw/zinc/73/10/99/1014731099.db2.gz LSZPDAGUUHKBCX-UHFFFAOYSA-N 2 0 300.437 3.807 20 0 DHADRP C[NH2+]C[C@@H](C)N[C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000665298173 1014748813 /nfs/dbraw/zinc/74/88/13/1014748813.db2.gz TUJRVEOPXBHREY-DOMZBBRYSA-N 2 0 308.878 3.883 20 0 DHADRP CSc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000442862348 1014751934 /nfs/dbraw/zinc/75/19/34/1014751934.db2.gz ZRVHFAKZECNZAV-AWEZNQCLSA-N 2 0 304.503 3.934 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000665301245 1014783432 /nfs/dbraw/zinc/78/34/32/1014783432.db2.gz RZWQDYMZYOJLAZ-MGPQQGTHSA-N 2 0 306.416 3.865 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000442987967 1014789406 /nfs/dbraw/zinc/78/94/06/1014789406.db2.gz DQFNUGCXVDWGOD-CYBMUJFWSA-N 2 0 314.395 3.835 20 0 DHADRP COc1ccccc1/C=C/C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521818287 1014809513 /nfs/dbraw/zinc/80/95/13/1014809513.db2.gz FLFANWLKMORVBX-OKMWKSJFSA-N 2 0 316.489 3.666 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001168300176 1032104111 /nfs/dbraw/zinc/10/41/11/1032104111.db2.gz QDNXAPSRHRXVJS-DQPZFDDXSA-N 2 0 307.869 3.649 20 0 DHADRP CCCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168016460 1014894101 /nfs/dbraw/zinc/89/41/01/1014894101.db2.gz WCOOUWFAUMPCPA-PIKOESSRSA-N 2 0 318.505 3.569 20 0 DHADRP Cc1ccncc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000276284885 1014919629 /nfs/dbraw/zinc/91/96/29/1014919629.db2.gz URDQFJVNRQEHBS-QZTJIDSGSA-N 2 0 323.484 3.636 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656675494 1015052055 /nfs/dbraw/zinc/05/20/55/1015052055.db2.gz AWDJAHGAGWWNLA-KRWDZBQOSA-N 2 0 316.489 3.537 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)[C@H](C)C1 ZINC000443656973 1015084910 /nfs/dbraw/zinc/08/49/10/1015084910.db2.gz MEAOCXBGYYBWCK-NMLBUPMWSA-N 2 0 322.537 3.705 20 0 DHADRP CCc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c2ccccc2[nH+]1 ZINC000443676588 1015100500 /nfs/dbraw/zinc/10/05/00/1015100500.db2.gz UWNUCMJLSIFDER-KRWDZBQOSA-N 2 0 309.457 3.862 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000428287898 1015117314 /nfs/dbraw/zinc/11/73/14/1015117314.db2.gz OSAYLMNOCDWZFU-SFHVURJKSA-N 2 0 302.506 3.800 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)ccc2n1 ZINC000656783646 1015148916 /nfs/dbraw/zinc/14/89/16/1015148916.db2.gz SDVUIOQOCWPFFD-FQEVSTJZSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@@H]1CC([NH2+][C@H]2COC(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168028867 1015155608 /nfs/dbraw/zinc/15/56/08/1015155608.db2.gz REVAAKAOBSZBBM-GPMSIDNRSA-N 2 0 316.489 3.585 20 0 DHADRP CC(C)Cc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656786116 1015157385 /nfs/dbraw/zinc/15/73/85/1015157385.db2.gz KRMDJTFUFAOTGV-INIZCTEOSA-N 2 0 321.534 3.553 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000090402998 1015230838 /nfs/dbraw/zinc/23/08/38/1015230838.db2.gz CWSMVFDCFFTJET-KKUMJFAQSA-N 2 0 309.523 3.860 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nccc2ccccc21 ZINC000895685985 1015256552 /nfs/dbraw/zinc/25/65/52/1015256552.db2.gz PECREKZJNQGFKW-UHFFFAOYSA-N 2 0 311.473 3.933 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000474469026 1015375843 /nfs/dbraw/zinc/37/58/43/1015375843.db2.gz GGNVLVNZYBQMHK-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1 ZINC000474484849 1015394979 /nfs/dbraw/zinc/39/49/79/1015394979.db2.gz MWRSZRZJSOPUKO-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449274085 1015432799 /nfs/dbraw/zinc/43/27/99/1015432799.db2.gz AQTMOEDHRIRWNL-IRXDYDNUSA-N 2 0 310.526 3.823 20 0 DHADRP CC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000399068465 1015464429 /nfs/dbraw/zinc/46/44/29/1015464429.db2.gz NCUBITKSGKGTLN-UGFHNGPFSA-N 2 0 311.267 3.630 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000474621175 1015497797 /nfs/dbraw/zinc/49/77/97/1015497797.db2.gz KDTAPRAUSSMNHY-PMACEKPBSA-N 2 0 318.505 3.822 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)s1 ZINC000090418919 1015504768 /nfs/dbraw/zinc/50/47/68/1015504768.db2.gz HJRJDVODGHQPGD-AWEZNQCLSA-N 2 0 309.523 3.860 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1F ZINC000645492566 1015624373 /nfs/dbraw/zinc/62/43/73/1015624373.db2.gz LNOVJRXHUDQPNM-OAHLLOKOSA-N 2 0 308.441 3.751 20 0 DHADRP C[NH+]1CCC(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)CC1 ZINC000891815253 1015649334 /nfs/dbraw/zinc/64/93/34/1015649334.db2.gz VKXDBNNPEVWRIH-UHFFFAOYSA-N 2 0 311.473 3.689 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000474892830 1015690934 /nfs/dbraw/zinc/69/09/34/1015690934.db2.gz AMFPGZFXEMQHRO-VQTJNVASSA-N 2 0 318.505 3.822 20 0 DHADRP Cc1cccc(C[N@H+](Cc2ccccn2)CC2CC[NH+](C)CC2)c1 ZINC000891935075 1015769098 /nfs/dbraw/zinc/76/90/98/1015769098.db2.gz NAXZCBKLQQDACN-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP Oc1cccc2c(NC3CC[NH+](C4CCCC4)CC3)cc[nH+]c12 ZINC000684576118 1015774473 /nfs/dbraw/zinc/77/44/73/1015774473.db2.gz GUXZZUSMSUQXCY-UHFFFAOYSA-N 2 0 311.429 3.759 20 0 DHADRP Cc1cccnc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000294716626 1032126526 /nfs/dbraw/zinc/12/65/26/1032126526.db2.gz CFOYULNACPHQJK-QFBILLFUSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)O1 ZINC000475038989 1015791567 /nfs/dbraw/zinc/79/15/67/1015791567.db2.gz FYOVAJZCPMVDMQ-LMMKCTJWSA-N 2 0 308.510 3.530 20 0 DHADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)O1 ZINC000475038990 1015791629 /nfs/dbraw/zinc/79/16/29/1015791629.db2.gz FYOVAJZCPMVDMQ-SCTDSRPQSA-N 2 0 308.510 3.530 20 0 DHADRP CSC[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000281100162 1015830698 /nfs/dbraw/zinc/83/06/98/1015830698.db2.gz VVVCENOADFBEQE-FAEJEUNOSA-N 2 0 306.519 3.771 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000281113202 1015834140 /nfs/dbraw/zinc/83/41/40/1015834140.db2.gz ABZYMNPKZFHCFI-PKOBYXMFSA-N 2 0 315.505 3.879 20 0 DHADRP Clc1ccnc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926311297 1015860083 /nfs/dbraw/zinc/86/00/83/1015860083.db2.gz YANSSONONFJPSF-KRWDZBQOSA-N 2 0 319.880 3.576 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001168305280 1032142434 /nfs/dbraw/zinc/14/24/34/1032142434.db2.gz GSHUTUHVJPDUEP-UHFFFAOYSA-N 2 0 304.453 3.753 20 0 DHADRP c1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657297224 1016219458 /nfs/dbraw/zinc/21/94/58/1016219458.db2.gz NLWKYBXAWBAJJZ-IXDOHACOSA-N 2 0 310.445 3.716 20 0 DHADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657297225 1016220463 /nfs/dbraw/zinc/22/04/63/1016220463.db2.gz NLWKYBXAWBAJJZ-YESZJQIVSA-N 2 0 310.445 3.716 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000892120335 1016261866 /nfs/dbraw/zinc/26/18/66/1016261866.db2.gz GTHAVMGVIDVYHC-UHFFFAOYSA-N 2 0 320.525 3.635 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000469083387 1016275450 /nfs/dbraw/zinc/27/54/50/1016275450.db2.gz QUXUUMXIZJQHPE-BLLLJJGKSA-N 2 0 315.288 3.856 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000582018873 1016302838 /nfs/dbraw/zinc/30/28/38/1016302838.db2.gz IPSABVYWGSEHHF-QEFXCSQDSA-N 2 0 304.478 3.650 20 0 DHADRP COC1(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000582017495 1016304938 /nfs/dbraw/zinc/30/49/38/1016304938.db2.gz QOTPEIVOVBMEIS-FUHWJXTLSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000281256667 1016434011 /nfs/dbraw/zinc/43/40/11/1016434011.db2.gz OIDNFAXEHSKQEC-OALUTQOASA-N 2 0 315.505 3.738 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCCO1 ZINC000346563764 1016444313 /nfs/dbraw/zinc/44/43/13/1016444313.db2.gz PGJFVDMDTHEMCK-XLIONFOSSA-N 2 0 316.489 3.720 20 0 DHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000346692892 1016508581 /nfs/dbraw/zinc/50/85/81/1016508581.db2.gz JOSWUGCDDUNGPB-INIZCTEOSA-N 2 0 305.853 3.693 20 0 DHADRP CO[C@@H](c1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)cc1)[C@H](C)[NH3+] ZINC000629708317 1016583613 /nfs/dbraw/zinc/58/36/13/1016583613.db2.gz FAVSGHFDEOGARP-YCRPNKLZSA-N 2 0 324.468 3.983 20 0 DHADRP CO[C@H](c1ccc(-c2ccc(C[NH+](C)C)c(F)c2)cc1)[C@H](C)[NH3+] ZINC000629708474 1016584511 /nfs/dbraw/zinc/58/45/11/1016584511.db2.gz HSFCTORSIVGSSN-DJJJIMSYSA-N 2 0 316.420 3.589 20 0 DHADRP C[C@@H]([NH3+])CCc1ccc(-c2cc(C[NH+](C)C)ccc2F)cc1 ZINC000629737467 1016633815 /nfs/dbraw/zinc/63/38/15/1016633815.db2.gz TYPODOSOVRYOCF-CQSZACIVSA-N 2 0 300.421 3.834 20 0 DHADRP C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)[C@H]([NH3+])CSC3)cc1F ZINC000629738343 1016635645 /nfs/dbraw/zinc/63/56/45/1016635645.db2.gz UBBRDRQTCMSDDQ-BMLIUANNSA-N 2 0 302.418 3.759 20 0 DHADRP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379892857 1016681709 /nfs/dbraw/zinc/68/17/09/1016681709.db2.gz FMCQLLNKKLGBTM-UTKZUKDTSA-N 2 0 320.480 3.654 20 0 DHADRP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)ccc21 ZINC000347035897 1016691531 /nfs/dbraw/zinc/69/15/31/1016691531.db2.gz DRHOTQRSVDWGQI-INIZCTEOSA-N 2 0 307.441 3.595 20 0 DHADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[C@@H]1CCCCO1 ZINC000680637635 1016703915 /nfs/dbraw/zinc/70/39/15/1016703915.db2.gz PLESSTOWLCDLMZ-IBGZPJMESA-N 2 0 308.510 3.722 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000347063748 1016722111 /nfs/dbraw/zinc/72/21/11/1016722111.db2.gz CRFFMOLPMMFENG-PKOBYXMFSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000563350250 1016729537 /nfs/dbraw/zinc/72/95/37/1016729537.db2.gz LSZFXXIOQKDXAW-CZUORRHYSA-N 2 0 314.395 3.840 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000671295584 1016869191 /nfs/dbraw/zinc/86/91/91/1016869191.db2.gz DWLFSEBMYRLDIH-LNKGRISISA-N 2 0 316.489 3.509 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344688 1016975092 /nfs/dbraw/zinc/97/50/92/1016975092.db2.gz ZIVHMVPCGLRFJM-FUHWJXTLSA-N 2 0 302.462 3.609 20 0 DHADRP CCCOc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000475129051 1016981688 /nfs/dbraw/zinc/98/16/88/1016981688.db2.gz IQZMCVWMHLIXGB-UHFFFAOYSA-N 2 0 302.462 3.536 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475122979 1016985438 /nfs/dbraw/zinc/98/54/38/1016985438.db2.gz VUYVKUZFVLSALC-INIZCTEOSA-N 2 0 304.453 3.707 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623359918 1016989127 /nfs/dbraw/zinc/98/91/27/1016989127.db2.gz JLNRUKBEKIJTAJ-NVXWUHKLSA-N 2 0 304.478 3.997 20 0 DHADRP C[N@@H+]1CC[C@H](N[C@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374679 1017007542 /nfs/dbraw/zinc/00/75/42/1017007542.db2.gz KXUAJXYRSUZBHW-WFASDCNBSA-N 2 0 308.853 3.626 20 0 DHADRP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CCC2)cc1 ZINC000897080075 1017043185 /nfs/dbraw/zinc/04/31/85/1017043185.db2.gz POPXWEJVXHNUCQ-DLZDZTESSA-N 2 0 314.473 3.751 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623432478 1017045788 /nfs/dbraw/zinc/04/57/88/1017045788.db2.gz UIEZLFJBSVGWAZ-KGLIPLIRSA-N 2 0 310.869 3.570 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440399 1017047226 /nfs/dbraw/zinc/04/72/26/1017047226.db2.gz ULNWOBNCAWUWHB-HUUCEWRRSA-N 2 0 324.896 3.960 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435717 1017048743 /nfs/dbraw/zinc/04/87/43/1017048743.db2.gz PWQWPJMAPXILJN-DZGCQCFKSA-N 2 0 310.869 3.570 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000623442673 1017049864 /nfs/dbraw/zinc/04/98/64/1017049864.db2.gz YLMHQFUHFHZNGT-RDBSUJKOSA-N 2 0 306.416 3.818 20 0 DHADRP CCCCC(CCCC)[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001246665357 1032198187 /nfs/dbraw/zinc/19/81/87/1032198187.db2.gz UJLHBTAVRBUOFB-UHFFFAOYSA-N 2 0 310.526 3.968 20 0 DHADRP C[NH+](C)C1CCC([N@H+](Cc2ccccc2)Cc2ccncc2)CC1 ZINC001168313428 1032218506 /nfs/dbraw/zinc/21/85/06/1032218506.db2.gz CODQOWWGSDCEMW-UHFFFAOYSA-N 2 0 323.484 3.957 20 0 DHADRP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCCCC[NH+](C)C)CC2 ZINC001171290642 1032258258 /nfs/dbraw/zinc/25/82/58/1032258258.db2.gz AERHCPJOQWXQBQ-AWEZNQCLSA-N 2 0 324.896 3.527 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1(C)C ZINC000623510906 1017076616 /nfs/dbraw/zinc/07/66/16/1017076616.db2.gz PYXSIWZAIDVKHA-SZMVWBNQSA-N 2 0 304.453 3.924 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001168323420 1032273747 /nfs/dbraw/zinc/27/37/47/1032273747.db2.gz YSWCHKOJOTVNTH-XEVCZEQESA-N 2 0 300.490 3.814 20 0 DHADRP COc1cccc(C2CC[NH+](C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168328881 1032300696 /nfs/dbraw/zinc/30/06/96/1032300696.db2.gz LVKREXUEQFIQFP-UHFFFAOYSA-N 2 0 316.489 3.747 20 0 DHADRP COc1cccc([C@@H]2CCC[N@@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168328922 1032304636 /nfs/dbraw/zinc/30/46/36/1032304636.db2.gz MIYPUSAXBRGWBF-LMDPOFIKSA-N 2 0 316.489 3.747 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001247017405 1032361628 /nfs/dbraw/zinc/36/16/28/1032361628.db2.gz UDIGYPFMNLLBLG-XUJVJEKNSA-N 2 0 311.267 3.582 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000120420147 1032367539 /nfs/dbraw/zinc/36/75/39/1032367539.db2.gz OEIOZTQSWJBGNI-CQSZACIVSA-N 2 0 312.404 3.815 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)CCC2 ZINC000090585786 1032408152 /nfs/dbraw/zinc/40/81/52/1032408152.db2.gz OUSNCTIDXWCNIA-HZPDHXFCSA-N 2 0 321.534 3.787 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477907392 1033362688 /nfs/dbraw/zinc/36/26/88/1033362688.db2.gz ALIGOWXTPWLJOF-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccn2CCC(C)C)[C@@H](C)C1 ZINC000537635193 1032424069 /nfs/dbraw/zinc/42/40/69/1032424069.db2.gz VZEFPESKIBOPLY-HKUYNNGSSA-N 2 0 305.510 3.696 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171338631 1032445330 /nfs/dbraw/zinc/44/53/30/1032445330.db2.gz WVGNHQHFSKKAKS-KRWDZBQOSA-N 2 0 322.443 3.806 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1(C)C ZINC000623496358 1017080650 /nfs/dbraw/zinc/08/06/50/1017080650.db2.gz RXGRMNIYHOXPTJ-GJZGRUSLSA-N 2 0 314.395 3.795 20 0 DHADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623504909 1017082980 /nfs/dbraw/zinc/08/29/80/1017082980.db2.gz DZMIPMUAQVKEHX-KRWDZBQOSA-N 2 0 304.478 3.746 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3s2)CC1(C)C ZINC000623532820 1017084803 /nfs/dbraw/zinc/08/48/03/1017084803.db2.gz IJTHYPPCWBFVDL-OAHLLOKOSA-N 2 0 302.487 3.906 20 0 DHADRP FC(F)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000475216898 1017086216 /nfs/dbraw/zinc/08/62/16/1017086216.db2.gz VABBEHPNMQXDNX-IXDOHACOSA-N 2 0 320.427 3.532 20 0 DHADRP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000623521194 1017087189 /nfs/dbraw/zinc/08/71/89/1017087189.db2.gz NJIMSFFTZVAURS-HZPDHXFCSA-N 2 0 320.477 3.617 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684953107 1017080046 /nfs/dbraw/zinc/08/00/46/1017080046.db2.gz IIEOJEHDFCMAME-FUHWJXTLSA-N 2 0 301.478 3.561 20 0 DHADRP COc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c(F)cn1 ZINC000348123547 1032467697 /nfs/dbraw/zinc/46/76/97/1032467697.db2.gz UPZMPCLJNVAVRK-HNNXBMFYSA-N 2 0 323.456 3.536 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c(F)cn1 ZINC000348123548 1032468612 /nfs/dbraw/zinc/46/86/12/1032468612.db2.gz UPZMPCLJNVAVRK-OAHLLOKOSA-N 2 0 323.456 3.536 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1c(F)ccc(F)c1Cl)C1CC1 ZINC000623544810 1017096418 /nfs/dbraw/zinc/09/64/18/1017096418.db2.gz MDIPQYLVSCRYOR-UHFFFAOYSA-N 2 0 302.796 3.582 20 0 DHADRP CCO[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168060229 1017097631 /nfs/dbraw/zinc/09/76/31/1017097631.db2.gz VVKHZAQBTPYIHB-ABSDTBQOSA-N 2 0 316.489 3.539 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)c1 ZINC000122543452 1032555537 /nfs/dbraw/zinc/55/55/37/1032555537.db2.gz LPBLWFXWGQNKLK-OXQOHEQNSA-N 2 0 324.468 3.935 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000537646451 1032575361 /nfs/dbraw/zinc/57/53/61/1032575361.db2.gz CDZKCCKKRHYBHV-PHKMIBKXSA-N 2 0 316.489 3.523 20 0 DHADRP CC[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000537647438 1032577340 /nfs/dbraw/zinc/57/73/40/1032577340.db2.gz GVPBWULXTDTWBH-RTBURBONSA-N 2 0 300.490 3.844 20 0 DHADRP CC[C@@H](CC(F)F)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679458 1011947739 /nfs/dbraw/zinc/94/77/39/1011947739.db2.gz KUHZTOLMAQVIQJ-HNNXBMFYSA-N 2 0 310.432 3.922 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424263680 1011953934 /nfs/dbraw/zinc/95/39/34/1011953934.db2.gz SBWGFIMXTQUZMV-KRWDZBQOSA-N 2 0 317.502 3.747 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)[NH+]1CCCC1 ZINC000424269682 1011955980 /nfs/dbraw/zinc/95/59/80/1011955980.db2.gz PNEXKZFOCHKGKO-YHDCXSKOSA-N 2 0 322.537 3.680 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000579734461 1012002528 /nfs/dbraw/zinc/00/25/28/1012002528.db2.gz UKUDMYLWHVXMNE-GJZGRUSLSA-N 2 0 307.507 3.593 20 0 DHADRP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761336 1012074069 /nfs/dbraw/zinc/07/40/69/1012074069.db2.gz WYWZTEURHZGIJN-GXTWGEPZSA-N 2 0 315.288 3.985 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OC(F)F)cc1 ZINC000643545712 1012087008 /nfs/dbraw/zinc/08/70/08/1012087008.db2.gz BEZXQIHBSOORMT-OCCSQVGLSA-N 2 0 310.388 3.613 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546317 1012095029 /nfs/dbraw/zinc/09/50/29/1012095029.db2.gz MKLZVSRMIAHFGU-WBVHZDCISA-N 2 0 302.462 3.799 20 0 DHADRP COc1ccc2cc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)ccc2c1 ZINC000321067701 1012163434 /nfs/dbraw/zinc/16/34/34/1012163434.db2.gz HETCJJZVEXQJDK-QGZVFWFLSA-N 2 0 312.457 3.668 20 0 DHADRP FC1(F)CCC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000513960536 1012231205 /nfs/dbraw/zinc/23/12/05/1012231205.db2.gz KAYYAXDSCMSXIO-INIZCTEOSA-N 2 0 300.437 3.620 20 0 DHADRP Fc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001171412075 1032615186 /nfs/dbraw/zinc/61/51/86/1032615186.db2.gz RUYXVZYIEIPEGJ-SFHVURJKSA-N 2 0 316.464 3.537 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171412001 1032615616 /nfs/dbraw/zinc/61/56/16/1032615616.db2.gz QMGAHGDOFBXBQE-LXPRWKDFSA-N 2 0 318.480 3.926 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1 ZINC000281256675 1012326716 /nfs/dbraw/zinc/32/67/16/1012326716.db2.gz OIDNFAXEHSKQEC-RTBURBONSA-N 2 0 315.505 3.738 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000425376720 1012509240 /nfs/dbraw/zinc/50/92/40/1012509240.db2.gz FQBPDMWOGJARNA-GBESFXJTSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001172853373 1033423506 /nfs/dbraw/zinc/42/35/06/1033423506.db2.gz KTZSMHVAGJEQRF-CYBMUJFWSA-N 2 0 312.860 3.684 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171419849 1032632000 /nfs/dbraw/zinc/63/20/00/1032632000.db2.gz VOWYLLYLBWSDOV-DOTOQJQBSA-N 2 0 304.453 3.524 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC001202748382 1032641923 /nfs/dbraw/zinc/64/19/23/1032641923.db2.gz ADWUBIXKPCAALZ-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)s2)cs1 ZINC000515497930 1012637161 /nfs/dbraw/zinc/63/71/61/1012637161.db2.gz CRUIECBZDDIKPG-CHWSQXEVSA-N 2 0 321.515 3.582 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000516632346 1012807532 /nfs/dbraw/zinc/80/75/32/1012807532.db2.gz UZHGUKQPXUJKRM-LLVKDONJSA-N 2 0 309.866 3.681 20 0 DHADRP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c2ccccc12 ZINC000289614941 1012846006 /nfs/dbraw/zinc/84/60/06/1012846006.db2.gz LJUJQPQOOWLHSD-JWTNVVGKSA-N 2 0 324.468 3.905 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000366678738 1012920787 /nfs/dbraw/zinc/92/07/87/1012920787.db2.gz MVDWLTWLKBRJBS-SJORKVTESA-N 2 0 308.510 3.578 20 0 DHADRP CCN1CCC([NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796674147 1012955946 /nfs/dbraw/zinc/95/59/46/1012955946.db2.gz GIMWGWRMDKUTKX-ZDUSSCGKSA-N 2 0 310.869 3.792 20 0 DHADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)sn1 ZINC000638457607 1012957881 /nfs/dbraw/zinc/95/78/81/1012957881.db2.gz UTCORRQRIYSJNB-UHFFFAOYSA-N 2 0 321.515 3.515 20 0 DHADRP C[C@H](C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1)C[NH+](C)C ZINC000425941988 1012981632 /nfs/dbraw/zinc/98/16/32/1012981632.db2.gz DEWKXILVCNVLTM-CHWSQXEVSA-N 2 0 316.461 3.892 20 0 DHADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1Cl ZINC000623574928 1017117549 /nfs/dbraw/zinc/11/75/49/1017117549.db2.gz BBZQXIMJDFBDQO-INIZCTEOSA-N 2 0 322.880 3.560 20 0 DHADRP CC(C)Cc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623587299 1017122350 /nfs/dbraw/zinc/12/23/50/1017122350.db2.gz LZGDLQPMUGZZSN-UHFFFAOYSA-N 2 0 320.440 3.756 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H]1CCCOC1 ZINC000623591343 1017125052 /nfs/dbraw/zinc/12/50/52/1017125052.db2.gz MFSOHMMAECBIGP-IBGZPJMESA-N 2 0 318.505 3.551 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177912100 1017147546 /nfs/dbraw/zinc/14/75/46/1017147546.db2.gz FPWVDXWXURHCFU-JTDSTZFVSA-N 2 0 312.457 3.537 20 0 DHADRP CC[C@H]1CCC[C@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537249 1017224725 /nfs/dbraw/zinc/22/47/25/1017224725.db2.gz FFSXPNAJOQWTQB-HKUYNNGSSA-N 2 0 322.537 3.683 20 0 DHADRP c1cc2cnccc2c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248392531 1017277950 /nfs/dbraw/zinc/27/79/50/1017277950.db2.gz WCMQNPVMEHFEMN-GHTZIAJQSA-N 2 0 321.468 3.684 20 0 DHADRP c1cc2cnccc2c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248392533 1017279495 /nfs/dbraw/zinc/27/94/95/1017279495.db2.gz WCMQNPVMEHFEMN-RXVVDRJESA-N 2 0 321.468 3.684 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)C ZINC000342806208 1017371685 /nfs/dbraw/zinc/37/16/85/1017371685.db2.gz OGQJQJKZMBLUHD-IBGZPJMESA-N 2 0 304.478 3.684 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cccnc1 ZINC000716655082 1032700293 /nfs/dbraw/zinc/70/02/93/1032700293.db2.gz LVQUPMVZBGDRGD-LGYWMIHWSA-N 2 0 321.468 3.785 20 0 DHADRP CSCC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685097 1032703851 /nfs/dbraw/zinc/70/38/51/1032703851.db2.gz WZLNOWKQKAQGSP-BVBHFADKSA-N 2 0 318.530 3.771 20 0 DHADRP Cc1nccn1CCCC[N@H+](CCN1CCCCCC1)C(C)C ZINC000347337109 1017506505 /nfs/dbraw/zinc/50/65/05/1017506505.db2.gz LBRHZXFAYBNBRL-UHFFFAOYSA-N 2 0 320.525 3.558 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCCO1 ZINC000623854479 1017543970 /nfs/dbraw/zinc/54/39/70/1017543970.db2.gz AAGMZSHUPSPSHG-FXAWDEMLSA-N 2 0 316.489 3.720 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(C)ccc1C ZINC000623884574 1017565414 /nfs/dbraw/zinc/56/54/14/1017565414.db2.gz FCKAQKBGMZDJJX-HXUWFJFHSA-N 2 0 318.505 3.845 20 0 DHADRP C[C@@H]1CCCC[C@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613848 1017582676 /nfs/dbraw/zinc/58/26/76/1017582676.db2.gz TYVYUHNXFNOKTN-XLIONFOSSA-N 2 0 315.505 3.710 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623931897 1017583543 /nfs/dbraw/zinc/58/35/43/1017583543.db2.gz PLECDOWWKICYQX-GOSISDBHSA-N 2 0 303.494 3.813 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454595 1032713854 /nfs/dbraw/zinc/71/38/54/1032713854.db2.gz VJIJJSIUHTXPCM-PBHICJAKSA-N 2 0 322.443 3.676 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171454921 1032713904 /nfs/dbraw/zinc/71/39/04/1032713904.db2.gz XNGROGFSSMKALZ-KRWDZBQOSA-N 2 0 322.443 3.532 20 0 DHADRP CSCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342874353 1017657677 /nfs/dbraw/zinc/65/76/77/1017657677.db2.gz QFWQHTSMQFILDV-UHFFFAOYSA-N 2 0 318.530 3.728 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000624120573 1017691819 /nfs/dbraw/zinc/69/18/19/1017691819.db2.gz BTPFQHHCLKGFTE-ZIAGYGMSSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123655 1017694975 /nfs/dbraw/zinc/69/49/75/1017694975.db2.gz PVZWJYUNSFAXFS-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153443055 1017700740 /nfs/dbraw/zinc/70/07/40/1017700740.db2.gz FWEXZYOEUJADRB-GUXCAODWSA-N 2 0 309.457 3.567 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153442936 1017701560 /nfs/dbraw/zinc/70/15/60/1017701560.db2.gz FWEXZYOEUJADRB-QINHECLXSA-N 2 0 309.457 3.567 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1cc(N2CCCCC2)cc[nH+]1 ZINC001167625616 1017712206 /nfs/dbraw/zinc/71/22/06/1017712206.db2.gz NBCFAHRZETWWDX-UHFFFAOYSA-N 2 0 316.493 3.557 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)CC2 ZINC000181517360 1017761396 /nfs/dbraw/zinc/76/13/96/1017761396.db2.gz PBXWAHDAVOCZSF-OXQOHEQNSA-N 2 0 316.489 3.640 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C12CCC2 ZINC000181626507 1017776033 /nfs/dbraw/zinc/77/60/33/1017776033.db2.gz XRUYRWJBPGIVPL-RTBURBONSA-N 2 0 320.521 3.578 20 0 DHADRP CSC1(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000356188415 1017802521 /nfs/dbraw/zinc/80/25/21/1017802521.db2.gz DGLNFUUNXSGSKR-MRXNPFEDSA-N 2 0 306.519 3.772 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)C1CC[NH+](C)CC1 ZINC000090941075 1017834967 /nfs/dbraw/zinc/83/49/67/1017834967.db2.gz ROEKFAUYTRADHZ-CQSZACIVSA-N 2 0 306.881 3.692 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445470426 1017870393 /nfs/dbraw/zinc/87/03/93/1017870393.db2.gz KOOSHFGDPAEBQD-IAGOWNOFSA-N 2 0 300.490 3.900 20 0 DHADRP COc1cccc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000079413282 1018001311 /nfs/dbraw/zinc/00/13/11/1018001311.db2.gz WRFQRJXQLRMYQV-INIZCTEOSA-N 2 0 304.478 3.808 20 0 DHADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000524594553 1018038843 /nfs/dbraw/zinc/03/88/43/1018038843.db2.gz OPBQJGYBDFQLOS-IBGZPJMESA-N 2 0 316.489 3.714 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032735 1018049516 /nfs/dbraw/zinc/04/95/16/1018049516.db2.gz FYSWEBILESSYKY-OAHLLOKOSA-N 2 0 314.498 3.631 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1ccco1 ZINC000343079821 1018112832 /nfs/dbraw/zinc/11/28/32/1018112832.db2.gz RXSHSANMXXNTBZ-UHFFFAOYSA-N 2 0 300.446 3.570 20 0 DHADRP Cc1cccc(OCC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185734196 1018128131 /nfs/dbraw/zinc/12/81/31/1018128131.db2.gz VGBMMFBUQIXVEZ-QZTJIDSGSA-N 2 0 316.489 3.616 20 0 DHADRP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381517219 1018262836 /nfs/dbraw/zinc/26/28/36/1018262836.db2.gz RPCUZFABOUVHES-HXUWFJFHSA-N 2 0 308.469 3.915 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658222060 1018295114 /nfs/dbraw/zinc/29/51/14/1018295114.db2.gz UKBJJZABCBVZQF-OIISXLGYSA-N 2 0 308.416 3.532 20 0 DHADRP FC(F)(F)C1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168355807 1032754999 /nfs/dbraw/zinc/75/49/99/1032754999.db2.gz BCQBZNWZLPIMGB-UHFFFAOYSA-N 2 0 304.400 3.572 20 0 DHADRP c1ccc(CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000764544587 1018310926 /nfs/dbraw/zinc/31/09/26/1018310926.db2.gz LMCISHDMQHILAG-UHFFFAOYSA-N 2 0 300.490 3.863 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000222937250 1032759907 /nfs/dbraw/zinc/75/99/07/1032759907.db2.gz YNMSGNIYLNUFRX-ILXRZTDVSA-N 2 0 311.267 3.760 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152470017 1032761269 /nfs/dbraw/zinc/76/12/69/1032761269.db2.gz FAOQZRNFPDXHKG-MLGOLLRUSA-N 2 0 322.905 3.951 20 0 DHADRP c1cc2cccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000383427452 1018402644 /nfs/dbraw/zinc/40/26/44/1018402644.db2.gz CMZMUNXTLGPEEZ-SFHVURJKSA-N 2 0 319.452 3.780 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc2n(n1)CCCC2 ZINC000647288825 1018405965 /nfs/dbraw/zinc/40/59/65/1018405965.db2.gz QKYZBTTZPULCNF-QGZVFWFLSA-N 2 0 318.509 3.526 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926486203 1018415095 /nfs/dbraw/zinc/41/50/95/1018415095.db2.gz DPJIJFLSFCUBLL-SFHVURJKSA-N 3 0 317.521 3.665 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000447570011 1018417340 /nfs/dbraw/zinc/41/73/40/1018417340.db2.gz FHHQCOIOTHRYRX-LBPRGKRZSA-N 2 0 307.507 3.539 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]CC2(F)CC2)C1 ZINC000525981377 1018424810 /nfs/dbraw/zinc/42/48/10/1018424810.db2.gz RFLXILAVTNCCST-HOTGVXAUSA-N 2 0 304.453 3.756 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000383808179 1018438544 /nfs/dbraw/zinc/43/85/44/1018438544.db2.gz PFMKUTNHGMVHNW-UXHICEINSA-N 2 0 324.468 3.668 20 0 DHADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000765060251 1018467040 /nfs/dbraw/zinc/46/70/40/1018467040.db2.gz NOGPTJZPGLFSMZ-NRFANRHFSA-N 2 0 324.468 3.713 20 0 DHADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)ccc1C ZINC000447822052 1018479238 /nfs/dbraw/zinc/47/92/38/1018479238.db2.gz OUHXUTMHYFECFS-QGZVFWFLSA-N 2 0 304.478 3.748 20 0 DHADRP CC[N@H+](CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710418 1018532657 /nfs/dbraw/zinc/53/26/57/1018532657.db2.gz OTXHIEDIUZIUNH-XUVXKRRUSA-N 2 0 321.553 3.541 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000675733557 1018565477 /nfs/dbraw/zinc/56/54/77/1018565477.db2.gz AZXGNOGIUMPUGG-KUHUBIRLSA-N 2 0 304.453 3.913 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000675733763 1018568546 /nfs/dbraw/zinc/56/85/46/1018568546.db2.gz LIOJLWPPJJLOFB-UYAOXDASSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H](Cc1cccs1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000675739847 1018570020 /nfs/dbraw/zinc/57/00/20/1018570020.db2.gz YNLMLUCAAPFHMR-OAHLLOKOSA-N 2 0 311.454 3.714 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000675784590 1018590395 /nfs/dbraw/zinc/59/03/95/1018590395.db2.gz ZHGJUMQAEFVDJV-YESZJQIVSA-N 2 0 324.534 3.548 20 0 DHADRP Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000675790522 1018594313 /nfs/dbraw/zinc/59/43/13/1018594313.db2.gz FVZKCXWYLXIKEK-OAHLLOKOSA-N 2 0 301.409 3.649 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CCc1ccc(C[NH+](C)C)cc1)C2 ZINC001171556382 1032775545 /nfs/dbraw/zinc/77/55/45/1032775545.db2.gz JFMCYUFCFYQLMU-NRFANRHFSA-N 2 0 322.496 3.746 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000675893373 1018618124 /nfs/dbraw/zinc/61/81/24/1018618124.db2.gz LYXOWNKVMHWLBW-VDGAXYAQSA-N 2 0 300.490 3.718 20 0 DHADRP Cc1ccccc1C1([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCC1 ZINC000650740732 1018630794 /nfs/dbraw/zinc/63/07/94/1018630794.db2.gz PKLKCYMGFCIDNJ-MRXNPFEDSA-N 2 0 309.457 3.887 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171553663 1032776599 /nfs/dbraw/zinc/77/65/99/1032776599.db2.gz UCJUHYZRFRBYQR-HKUYNNGSSA-N 2 0 302.506 3.952 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CCCC1 ZINC000650746154 1018647133 /nfs/dbraw/zinc/64/71/33/1018647133.db2.gz XKPVUNMWMCQJIQ-GOSISDBHSA-N 2 0 302.462 3.645 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000650746511 1018648544 /nfs/dbraw/zinc/64/85/44/1018648544.db2.gz DQDDYHQLRNQUAY-LJQANCHMSA-N 2 0 312.432 3.828 20 0 DHADRP [NH3+]CC1(CC[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000650746528 1018648873 /nfs/dbraw/zinc/64/88/73/1018648873.db2.gz DYLLKAPPRKBVBI-LJQANCHMSA-N 2 0 312.432 3.828 20 0 DHADRP Clc1ccc([C@H]2CC[C@@H]([NH2+]CCC3CC[NH2+]CC3)C2)cc1 ZINC000650761540 1018706115 /nfs/dbraw/zinc/70/61/15/1018706115.db2.gz BYEKUPSFGOVNBS-FUHWJXTLSA-N 2 0 306.881 3.955 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1(C)C ZINC000858146811 1032781199 /nfs/dbraw/zinc/78/11/99/1032781199.db2.gz PRQBHBVJVCXGED-OAHLLOKOSA-N 2 0 319.880 3.826 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CCC3CC[NH2+]CC3)ccc2c1 ZINC000650763685 1018711848 /nfs/dbraw/zinc/71/18/48/1018711848.db2.gz GZMDEBXRZDYUDZ-OAHLLOKOSA-N 2 0 312.457 3.889 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650764125 1018715008 /nfs/dbraw/zinc/71/50/08/1018715008.db2.gz QQOCKDLJNWHPQE-INIZCTEOSA-N 2 0 308.853 3.533 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647312574 1018718606 /nfs/dbraw/zinc/71/86/06/1018718606.db2.gz OYBLMTPVJLAGBR-DSLXNQLJSA-N 2 0 304.453 3.767 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000765246515 1018730098 /nfs/dbraw/zinc/73/00/98/1018730098.db2.gz UIYNTBHQXJCERU-GXTWGEPZSA-N 2 0 324.456 3.872 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000278482854 1018730579 /nfs/dbraw/zinc/73/05/79/1018730579.db2.gz OVIIIFZZENKSEZ-LJQANCHMSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@H](CCc1ccccc1F)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278488234 1018740417 /nfs/dbraw/zinc/74/04/17/1018740417.db2.gz PHQHWABSWZVXLO-OAHLLOKOSA-N 2 0 304.453 3.611 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001171563057 1032784580 /nfs/dbraw/zinc/78/45/80/1032784580.db2.gz CSSXGCDXXGBEEE-HXUWFJFHSA-N 2 0 312.501 3.803 20 0 DHADRP C[C@@H]1C[C@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCO1 ZINC000420934084 1018756560 /nfs/dbraw/zinc/75/65/60/1018756560.db2.gz JLNLRHMSKDXLBB-YQVWRLOYSA-N 2 0 308.510 3.530 20 0 DHADRP Cc1cccc2c1CC[C@@H]([N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171559262 1032781442 /nfs/dbraw/zinc/78/14/42/1032781442.db2.gz ZAXNSFQFBHJPCH-GUDVDZBRSA-N 2 0 300.490 3.833 20 0 DHADRP CC[N@H+](C[C@@H]1CCSC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278523506 1018779268 /nfs/dbraw/zinc/77/92/68/1018779268.db2.gz YMGHDTAXHOXQTG-OALUTQOASA-N 2 0 318.530 3.584 20 0 DHADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657811464 1018782305 /nfs/dbraw/zinc/78/23/05/1018782305.db2.gz CLWQBZXZGBRBNX-KSSFIOAISA-N 2 0 302.462 3.615 20 0 DHADRP CCCC[NH+]1CCC(Nc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000765478155 1018801733 /nfs/dbraw/zinc/80/17/33/1018801733.db2.gz BWUDTEKFHAVQPM-UHFFFAOYSA-N 2 0 313.445 3.920 20 0 DHADRP Cc1ccc2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)ccc2n1 ZINC000657813227 1018807893 /nfs/dbraw/zinc/80/78/93/1018807893.db2.gz KZVOKMICVJGSAI-UHFFFAOYSA-N 2 0 323.484 3.755 20 0 DHADRP CC(C)COc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000154879667 1018813086 /nfs/dbraw/zinc/81/30/86/1018813086.db2.gz UQDNSXCGOSAJFS-KRWDZBQOSA-N 2 0 318.505 3.584 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000624267483 1018826466 /nfs/dbraw/zinc/82/64/66/1018826466.db2.gz OIUVPRUNGOGPFZ-DYXWJJEUSA-N 2 0 321.468 3.711 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1(C)C ZINC001171631474 1032794432 /nfs/dbraw/zinc/79/44/32/1032794432.db2.gz IYPOXBBYGRQTOC-OAHLLOKOSA-N 2 0 324.406 3.862 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc4ccncc4s3)C2)CC1 ZINC000825763041 1032795024 /nfs/dbraw/zinc/79/50/24/1032795024.db2.gz YTEYCNJEEIXGKX-UHFFFAOYSA-N 2 0 315.486 3.604 20 0 DHADRP Cc1cccc(C2(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171630621 1032795191 /nfs/dbraw/zinc/79/51/91/1032795191.db2.gz QWNGINYQPADESM-UHFFFAOYSA-N 2 0 315.505 3.663 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000129009446 1018937484 /nfs/dbraw/zinc/93/74/84/1018937484.db2.gz MOFLPOMPHLWXIL-GJZGRUSLSA-N 2 0 311.267 3.632 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921538036 1018960894 /nfs/dbraw/zinc/96/08/94/1018960894.db2.gz PNYHUPIEOXGFPX-UHFFFAOYSA-N 2 0 324.900 3.542 20 0 DHADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc2c1OCC2 ZINC000922985845 1018963239 /nfs/dbraw/zinc/96/32/39/1018963239.db2.gz LTMBPTYDQZBUSJ-VBNZEHGJSA-N 2 0 320.864 3.552 20 0 DHADRP C[NH+]1C(C)(C)CC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC1(C)C ZINC001171621032 1032801928 /nfs/dbraw/zinc/80/19/28/1032801928.db2.gz GKCPEXLHCYGUCC-UHFFFAOYSA-N 3 0 309.542 3.618 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699954 1019014271 /nfs/dbraw/zinc/01/42/71/1019014271.db2.gz XDIDHASIYPNGAU-LALPHHSUSA-N 2 0 311.267 3.569 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000386977702 1019037017 /nfs/dbraw/zinc/03/70/17/1019037017.db2.gz YTNSJPIQPBKKFB-KRWDZBQOSA-N 2 0 304.478 3.858 20 0 DHADRP [NH3+]CC[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)c2)c2ccccc21 ZINC001168550479 1019038638 /nfs/dbraw/zinc/03/86/38/1019038638.db2.gz ULUIXNXOOUVAIK-MRXNPFEDSA-N 2 0 322.456 3.656 20 0 DHADRP C[NH+]1C(C)(C)CC(n2ccc3cc(CC[NH3+])ccc32)CC1(C)C ZINC001171624326 1032805066 /nfs/dbraw/zinc/80/50/66/1032805066.db2.gz PSTDFIZDZHKMCB-UHFFFAOYSA-N 2 0 313.489 3.966 20 0 DHADRP Cc1ccncc1CCC[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347914286 1019075784 /nfs/dbraw/zinc/07/57/84/1019075784.db2.gz BIDGBQZJDWAINC-QZTJIDSGSA-N 2 0 317.521 3.670 20 0 DHADRP Cc1ccncc1CCC[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347914284 1019075969 /nfs/dbraw/zinc/07/59/69/1019075969.db2.gz BIDGBQZJDWAINC-HDICACEKSA-N 2 0 317.521 3.670 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000278725625 1019095352 /nfs/dbraw/zinc/09/53/52/1019095352.db2.gz MLTFHWWXFXQSFF-OAHLLOKOSA-N 2 0 313.445 3.859 20 0 DHADRP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)c1cccc(O)c1 ZINC000923305865 1019120252 /nfs/dbraw/zinc/12/02/52/1019120252.db2.gz GQXRBNARHMTOKY-UNPWZGGWSA-N 2 0 302.462 3.696 20 0 DHADRP O[C@H](C[C@H]1CCCCC[N@@H+]1CCC[NH2+]C1CC1)c1cccs1 ZINC000923315158 1019124641 /nfs/dbraw/zinc/12/46/41/1019124641.db2.gz QLXBHZRXAKMGTD-IAGOWNOFSA-N 2 0 322.518 3.558 20 0 DHADRP [NH3+]CC[C@@H]1CN(c2ccc([C@@H]3CCC[NH2+]C3)cc2)c2ccccc21 ZINC001168555656 1019126567 /nfs/dbraw/zinc/12/65/67/1019126567.db2.gz PRELHGUTXBZPOQ-QZTJIDSGSA-N 2 0 321.468 3.738 20 0 DHADRP Cc1csc([C@H]2CCCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923324317 1019131084 /nfs/dbraw/zinc/13/10/84/1019131084.db2.gz STAQKDSJYIAIPJ-NPYXIHBLSA-N 2 0 319.518 3.899 20 0 DHADRP CCOC1CCC([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000657845272 1019140340 /nfs/dbraw/zinc/14/03/40/1019140340.db2.gz MMYDEWVLYZMSNE-MRLCAUJQSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)sc1C(C)(C)C ZINC000923365362 1019153829 /nfs/dbraw/zinc/15/38/29/1019153829.db2.gz SIKLJDWIXCDPHE-OAHLLOKOSA-N 2 0 321.534 3.713 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC[N@@H+]1C ZINC000624291259 1019163726 /nfs/dbraw/zinc/16/37/26/1019163726.db2.gz OPXQAEVHEYQAPM-AAEUAGOBSA-N 2 0 323.843 3.575 20 0 DHADRP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451142 1019212634 /nfs/dbraw/zinc/21/26/34/1019212634.db2.gz YTNLLUSIBXTQOQ-UZLBHIALSA-N 2 0 324.468 3.731 20 0 DHADRP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2ccccc2n1 ZINC000081635579 1019222382 /nfs/dbraw/zinc/22/23/82/1019222382.db2.gz ZYMZWPHOEKIKIK-SFHVURJKSA-N 2 0 323.484 3.707 20 0 DHADRP [NH3+]CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000923483196 1019231999 /nfs/dbraw/zinc/23/19/99/1019231999.db2.gz NIBHQWGBVRATMT-LBPRGKRZSA-N 2 0 321.877 3.634 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC000347679324 1019285193 /nfs/dbraw/zinc/28/51/93/1019285193.db2.gz NLOMGNBZXQYJCY-CVEARBPZSA-N 2 0 320.477 3.537 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000347927151 1019324594 /nfs/dbraw/zinc/32/45/94/1019324594.db2.gz CBBDQHGQYAEXCI-QKLQHJQFSA-N 2 0 315.505 3.891 20 0 DHADRP c1ccc(OCCCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786595 1019334018 /nfs/dbraw/zinc/33/40/18/1019334018.db2.gz NXNCYAANFDYMQY-IBGZPJMESA-N 2 0 316.489 3.557 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2scnc2C2CC2)C1 ZINC000486950433 1019353988 /nfs/dbraw/zinc/35/39/88/1019353988.db2.gz LRCNYAAJCSPISH-CQSZACIVSA-N 2 0 307.507 3.622 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000090046506 1019376026 /nfs/dbraw/zinc/37/60/26/1019376026.db2.gz CDBVJCKEMPTYPE-HOCLYGCPSA-N 2 0 321.534 3.663 20 0 DHADRP CC(C)CCn1cccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000161584881 1019388386 /nfs/dbraw/zinc/38/83/86/1019388386.db2.gz QJUPGZSZYOYXES-UHFFFAOYSA-N 2 0 313.489 3.886 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171666317 1032824069 /nfs/dbraw/zinc/82/40/69/1032824069.db2.gz VYFLBPHMVYNEPD-GOSISDBHSA-N 2 0 309.457 3.533 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccs1 ZINC000090522470 1019407286 /nfs/dbraw/zinc/40/72/86/1019407286.db2.gz GNGPFKGTOXOGNC-ULQDDVLXSA-N 2 0 322.518 3.557 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000161598419 1019467774 /nfs/dbraw/zinc/46/77/74/1019467774.db2.gz VTFGYVZNAGRYEY-CQSZACIVSA-N 2 0 306.881 3.692 20 0 DHADRP CCOC[C@@]12CCC[C@@H]1C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171634744 1032833631 /nfs/dbraw/zinc/83/36/31/1032833631.db2.gz FARMJTCJMKRZPY-UZLBHIALSA-N 2 0 322.537 3.776 20 0 DHADRP CO[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C12CCC2 ZINC000453064690 1019507083 /nfs/dbraw/zinc/50/70/83/1019507083.db2.gz UGCXHWVWJDUMBE-OALUTQOASA-N 2 0 316.489 3.574 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092739031 1019534616 /nfs/dbraw/zinc/53/46/16/1019534616.db2.gz QLRGUGRNVNIBLC-HNNXBMFYSA-N 2 0 315.436 3.912 20 0 DHADRP c1cn(-c2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)cn1 ZINC000671707633 1019560063 /nfs/dbraw/zinc/56/00/63/1019560063.db2.gz IRAGUBZOTQZWEO-UHFFFAOYSA-N 2 0 303.365 3.908 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704363 1019616461 /nfs/dbraw/zinc/61/64/61/1019616461.db2.gz FSFCZWNKUZJCQP-QGZVFWFLSA-N 2 0 320.908 3.765 20 0 DHADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000166254853 1019670118 /nfs/dbraw/zinc/67/01/18/1019670118.db2.gz ASOZOMFLVXVPMM-DLBZAZTESA-N 2 0 306.881 3.834 20 0 DHADRP C[C@@H]1C[C@H](n2ccc3c2cccc3C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171726074 1032848437 /nfs/dbraw/zinc/84/84/37/1032848437.db2.gz CLVCZWDYWXJWNB-APWZRJJASA-N 2 0 319.452 3.936 20 0 DHADRP C[C@@H]1C[C@H](N2CC[C@H]([NH3+])c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171733710 1032849299 /nfs/dbraw/zinc/84/92/99/1032849299.db2.gz XYJNEOOUTMDKDX-KPFFTGBYSA-N 2 0 321.468 3.560 20 0 DHADRP Clc1ccc(SCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166010662 1019766571 /nfs/dbraw/zinc/76/65/71/1019766571.db2.gz BMIJBEJWIVBQBU-LSDHHAIUSA-N 2 0 310.894 3.649 20 0 DHADRP COc1ccc([C@@H](C)CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000166135639 1019774611 /nfs/dbraw/zinc/77/46/11/1019774611.db2.gz TWWISPRRGCSDIQ-HOTGVXAUSA-N 2 0 304.478 3.509 20 0 DHADRP COC1([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)CCC1 ZINC000657889112 1019793478 /nfs/dbraw/zinc/79/34/78/1019793478.db2.gz QDQLJHDCAHJANY-IRXDYDNUSA-N 2 0 316.489 3.759 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000685455248 1019837223 /nfs/dbraw/zinc/83/72/23/1019837223.db2.gz UJEFLWPWJJYJRU-VAMGGRTRSA-N 2 0 300.490 3.718 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166295881 1019892442 /nfs/dbraw/zinc/89/24/42/1019892442.db2.gz ZDGORQZJBQOBBC-DLBZAZTESA-N 2 0 322.880 3.634 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000671749756 1019925433 /nfs/dbraw/zinc/92/54/33/1019925433.db2.gz OUZJLNJQWFOTDG-UHFFFAOYSA-N 2 0 306.416 3.818 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000065996797 1019936914 /nfs/dbraw/zinc/93/69/14/1019936914.db2.gz HWYPAUVPQGMGLC-UHFFFAOYSA-N 2 0 316.420 3.907 20 0 DHADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)C1CC[NH+](C)CC1 ZINC000132138332 1020041927 /nfs/dbraw/zinc/04/19/27/1020041927.db2.gz SIVIDPMSSNVBJL-OAHLLOKOSA-N 2 0 304.453 3.567 20 0 DHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000658020870 1020093683 /nfs/dbraw/zinc/09/36/83/1020093683.db2.gz ZXYDVMYJMJXGCA-LSDHHAIUSA-N 2 0 303.837 3.531 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000658059507 1020110382 /nfs/dbraw/zinc/11/03/82/1020110382.db2.gz RZGDJXQIBDWEFS-INIZCTEOSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000658063112 1020112741 /nfs/dbraw/zinc/11/27/41/1020112741.db2.gz RWEKHDZOKWGMGL-DBXWQHBBSA-N 2 0 323.484 3.685 20 0 DHADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165281 1020200166 /nfs/dbraw/zinc/20/01/66/1020200166.db2.gz HYRYCDOKRZFVDT-IAGOWNOFSA-N 2 0 315.505 3.708 20 0 DHADRP COc1ccc2ccccc2c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922682745 1020207716 /nfs/dbraw/zinc/20/77/16/1020207716.db2.gz AYLDNJODXGQANG-ROUUACIJSA-N 2 0 324.468 3.607 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000658223993 1020230800 /nfs/dbraw/zinc/23/08/00/1020230800.db2.gz QWEARVDCVJVUMW-CRAIPNDOSA-N 2 0 322.443 3.717 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658283159 1020280416 /nfs/dbraw/zinc/28/04/16/1020280416.db2.gz KFNZFYDKVUZTDP-DJIMGWMZSA-N 2 0 322.443 3.778 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCc3ccco3)CC2)C1 ZINC000658327007 1020303131 /nfs/dbraw/zinc/30/31/31/1020303131.db2.gz MEWMORXUUNEBOK-AEFFLSMTSA-N 2 0 304.478 3.845 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922846124 1020305805 /nfs/dbraw/zinc/30/58/05/1020305805.db2.gz VENXHYMWIDVARA-MNNVXMFVSA-N 2 0 304.453 3.753 20 0 DHADRP CSc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922848048 1020307038 /nfs/dbraw/zinc/30/70/38/1020307038.db2.gz LAURTBJYEVFATI-UHFFFAOYSA-N 2 0 304.503 3.905 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000623657809 1020342403 /nfs/dbraw/zinc/34/24/03/1020342403.db2.gz ZMEAFSYIROQURT-ZBFHGGJFSA-N 2 0 306.881 3.519 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000623656886 1020343096 /nfs/dbraw/zinc/34/30/96/1020343096.db2.gz DOYFDWMQMCQSLZ-SFHVURJKSA-N 2 0 309.457 3.570 20 0 DHADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000166392038 1020348557 /nfs/dbraw/zinc/34/85/57/1020348557.db2.gz PXICUGSGMQDIEC-DLBZAZTESA-N 2 0 306.881 3.834 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]C2CCC(C(F)F)CC2)ccc1F ZINC000282279089 1020368649 /nfs/dbraw/zinc/36/86/49/1020368649.db2.gz KWRKYSOVMHKUCX-UHFFFAOYSA-N 2 0 314.395 3.801 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)s2)cc1 ZINC000655826490 1020404735 /nfs/dbraw/zinc/40/47/35/1020404735.db2.gz GCIXNTRQUVPQNW-FZNQNYSPSA-N 2 0 315.486 3.548 20 0 DHADRP FCCC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000282421250 1020420350 /nfs/dbraw/zinc/42/03/50/1020420350.db2.gz DSNJOQAEYVNNOP-MJGOQNOKSA-N 2 0 319.468 3.806 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474456003 1020496840 /nfs/dbraw/zinc/49/68/40/1020496840.db2.gz DPWUBGSUHFKNSJ-HESLUPGFSA-N 2 0 318.427 3.818 20 0 DHADRP CC(C)CCOc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166431137 1020578655 /nfs/dbraw/zinc/57/86/55/1020578655.db2.gz QEQGXXBZFKJFQR-RTBURBONSA-N 2 0 316.489 3.828 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490709 1032917135 /nfs/dbraw/zinc/91/71/35/1032917135.db2.gz MKBXZBJBFXQALF-APWZRJJASA-N 2 0 316.489 3.784 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1C ZINC000858491159 1032917432 /nfs/dbraw/zinc/91/74/32/1032917432.db2.gz ZHEIHAHYMAMUJC-IRXDYDNUSA-N 2 0 304.478 3.695 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000734507982 1020617532 /nfs/dbraw/zinc/61/75/32/1020617532.db2.gz AVSXKBSDKADQSH-KRWDZBQOSA-N 2 0 318.505 3.933 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccnn1C(C)C ZINC000280049833 1020633926 /nfs/dbraw/zinc/63/39/26/1020633926.db2.gz VZXRJSCXVVKWOO-UHFFFAOYSA-N 2 0 314.477 3.596 20 0 DHADRP CC[NH+](CC)Cc1cc(NCC(C)(C)C[NH+](C)C)ccc1OC ZINC001168769631 1020676921 /nfs/dbraw/zinc/67/69/21/1020676921.db2.gz SZICFQGPJWJTPY-UHFFFAOYSA-N 2 0 321.509 3.537 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001171960445 1032929044 /nfs/dbraw/zinc/92/90/44/1032929044.db2.gz ZOQRNUOYVADPAV-CJNGLKHVSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC001171959602 1032925458 /nfs/dbraw/zinc/92/54/58/1032925458.db2.gz CLVMJSDITMCHAY-CYBMUJFWSA-N 2 0 316.411 3.814 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000647498940 1020779474 /nfs/dbraw/zinc/77/94/74/1020779474.db2.gz UJYLDHWFDOSRDZ-CXAGYDPISA-N 2 0 302.393 3.645 20 0 DHADRP Cc1ncccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963940 1032933263 /nfs/dbraw/zinc/93/32/63/1032933263.db2.gz GALASRHYVCLZQA-HXUWFJFHSA-N 2 0 323.484 3.923 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000414058071 1020827342 /nfs/dbraw/zinc/82/73/42/1020827342.db2.gz GUSLBVTTWWSQQM-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP CC1(C)C[C@H]([NH2+]C[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171966584 1032939279 /nfs/dbraw/zinc/93/92/79/1032939279.db2.gz LSBYGLYDPPAWDS-RTBURBONSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000414162851 1020951247 /nfs/dbraw/zinc/95/12/47/1020951247.db2.gz HUZKTGTYHUMBLJ-PBHICJAKSA-N 2 0 306.881 3.593 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000668817875 1020956614 /nfs/dbraw/zinc/95/66/14/1020956614.db2.gz BKDZOJYKXXZPIC-IKGGRYGDSA-N 2 0 310.551 3.618 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414173095 1020960825 /nfs/dbraw/zinc/96/08/25/1020960825.db2.gz GELHNUDOWCFVAL-IEBWSBKVSA-N 2 0 306.469 3.714 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000414191477 1020978431 /nfs/dbraw/zinc/97/84/31/1020978431.db2.gz SNSWOWHHOAXZMV-KGLIPLIRSA-N 2 0 312.404 3.671 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414193847 1020980731 /nfs/dbraw/zinc/98/07/31/1020980731.db2.gz VAUIBKJIMRXRHJ-HXUWFJFHSA-N 2 0 323.440 3.665 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000414190734 1020981230 /nfs/dbraw/zinc/98/12/30/1020981230.db2.gz SBGSWAWQAKKIQE-BBRMVZONSA-N 2 0 308.466 3.684 20 0 DHADRP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000179756347 1020997690 /nfs/dbraw/zinc/99/76/90/1020997690.db2.gz VRAUFPVDPGWZHA-APWZRJJASA-N 2 0 301.478 3.567 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000716334263 1021011850 /nfs/dbraw/zinc/01/18/50/1021011850.db2.gz JFVJWZGQJKORPP-LBPRGKRZSA-N 2 0 301.261 3.656 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000414308956 1021081213 /nfs/dbraw/zinc/08/12/13/1021081213.db2.gz QWZVHUWJSRRCOU-BQFCYCMXSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000414343626 1021112736 /nfs/dbraw/zinc/11/27/36/1021112736.db2.gz QXIBUTUSGYCEHT-FUHWJXTLSA-N 2 0 324.553 3.806 20 0 DHADRP CC1(C)C[C@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171969686 1032955016 /nfs/dbraw/zinc/95/50/16/1032955016.db2.gz WDFKCGPYGIQMSP-LJQANCHMSA-N 2 0 324.468 3.925 20 0 DHADRP c1ccc(OCCCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543949 1021149033 /nfs/dbraw/zinc/14/90/33/1021149033.db2.gz UTFTWGAQSQRCSZ-MOPGFXCFSA-N 2 0 316.489 3.557 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423323187 1021175093 /nfs/dbraw/zinc/17/50/93/1021175093.db2.gz ACPGPZZFQYNBKD-URGYJCLVSA-N 2 0 306.416 3.723 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423323188 1021175361 /nfs/dbraw/zinc/17/53/61/1021175361.db2.gz ACPGPZZFQYNBKD-VXGQWTEUSA-N 2 0 306.416 3.723 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)c(F)c1 ZINC000423395769 1021194834 /nfs/dbraw/zinc/19/48/34/1021194834.db2.gz RXFICSUUXKXOQO-WCQGTBRESA-N 2 0 315.230 3.509 20 0 DHADRP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423358637 1021186272 /nfs/dbraw/zinc/18/62/72/1021186272.db2.gz CBMWUDHEDZIAII-RBSFLKMASA-N 2 0 323.278 3.604 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423371492 1021190599 /nfs/dbraw/zinc/19/05/99/1021190599.db2.gz GINCZOWRGRANOC-XJFOESAGSA-N 2 0 303.475 3.648 20 0 DHADRP CCCOc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C)c1 ZINC001202241670 1021193161 /nfs/dbraw/zinc/19/31/61/1021193161.db2.gz GEZFENHLUNLUBS-UHFFFAOYSA-N 2 0 318.505 3.995 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000537985900 1032961032 /nfs/dbraw/zinc/96/10/32/1032961032.db2.gz GFPZARINQNPBJU-DOMZBBRYSA-N 2 0 315.288 3.856 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171980023 1032967078 /nfs/dbraw/zinc/96/70/78/1032967078.db2.gz OKAVMRJKAFWTJH-BHIYHBOVSA-N 2 0 316.489 3.587 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)[C@H](C)C1 ZINC000090956487 1021255230 /nfs/dbraw/zinc/25/52/30/1021255230.db2.gz BJSSOVVLZXTICJ-DYVFJYSZSA-N 2 0 324.871 3.831 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000926796154 1021276115 /nfs/dbraw/zinc/27/61/15/1021276115.db2.gz JAOZLDZEIZTVKE-CUYAVPTFSA-N 2 0 301.478 3.775 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743399070 1021283635 /nfs/dbraw/zinc/28/36/35/1021283635.db2.gz KBZLIELRVLRYCJ-OAHLLOKOSA-N 2 0 315.486 3.602 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc2c(c1)CCO2 ZINC000125800417 1032975941 /nfs/dbraw/zinc/97/59/41/1032975941.db2.gz SBBHEAALAJAQIA-QFBILLFUSA-N 2 0 316.489 3.783 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000538059172 1032980649 /nfs/dbraw/zinc/98/06/49/1032980649.db2.gz NTVIBXNHXDDEEG-HNAYVOBHSA-N 2 0 304.453 3.988 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)CC[N@@H+]1C ZINC000129518080 1021502901 /nfs/dbraw/zinc/50/29/01/1021502901.db2.gz LSDFWSWXOCJYMA-FXAWDEMLSA-N 2 0 324.468 3.838 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422425 1021523689 /nfs/dbraw/zinc/52/36/89/1021523689.db2.gz PWKTXBJXPKGRCG-HNNXBMFYSA-N 2 0 302.462 3.537 20 0 DHADRP CCCC[N@H+](C)CC1CCN(C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000556124082 1021536302 /nfs/dbraw/zinc/53/63/02/1021536302.db2.gz YGASKOBUIJHLKW-FQEVSTJZSA-N 2 0 323.569 3.693 20 0 DHADRP C[C@H](CSCCF)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000850467604 1021553077 /nfs/dbraw/zinc/55/30/77/1021553077.db2.gz XTJBOMRBBOIISN-SJLPKXTDSA-N 2 0 324.509 3.579 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)C2CC2)ccc1OC ZINC000182231109 1021557670 /nfs/dbraw/zinc/55/76/70/1021557670.db2.gz PSYGHDOPIMFKEK-CABCVRRESA-N 2 0 304.478 3.986 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C=CCC2)ccc1OC ZINC000850510940 1021567788 /nfs/dbraw/zinc/56/77/88/1021567788.db2.gz YBZFSUBJPUDDNG-MAUKXSAKSA-N 2 0 302.462 3.906 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000850523868 1021578287 /nfs/dbraw/zinc/57/82/87/1021578287.db2.gz QLKKFTROZZTAGH-KRWDZBQOSA-N 2 0 322.537 3.967 20 0 DHADRP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000129890492 1021583539 /nfs/dbraw/zinc/58/35/39/1021583539.db2.gz XNJMSWMHUQNHEJ-YLJYHZDGSA-N 2 0 315.505 3.815 20 0 DHADRP CC1(C)CCC[NH+]1Cc1cncc(C[N@H+]2CCCC2(C)C)c1 ZINC000556195895 1021600380 /nfs/dbraw/zinc/60/03/80/1021600380.db2.gz KTWBWEZLGOIZDN-UHFFFAOYSA-N 2 0 301.478 3.830 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000415011610 1021611309 /nfs/dbraw/zinc/61/13/09/1021611309.db2.gz WHQHMVODUUXLST-RTWAWAEBSA-N 2 0 322.496 3.948 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415013864 1021617606 /nfs/dbraw/zinc/61/76/06/1021617606.db2.gz LJXNLHUDBGQXIJ-OLZOCXBDSA-N 2 0 302.384 3.916 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)[C@H](C)C1 ZINC000556258573 1021640159 /nfs/dbraw/zinc/64/01/59/1021640159.db2.gz BFOSBVKHTYZTIQ-SQNIBIBYSA-N 2 0 310.526 3.539 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093941019 1021700269 /nfs/dbraw/zinc/70/02/69/1021700269.db2.gz CLFDUENQLSNBSU-DLBZAZTESA-N 2 0 305.510 3.914 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000892939903 1021701428 /nfs/dbraw/zinc/70/14/28/1021701428.db2.gz WYVFFBVPBFLMCS-UHFFFAOYSA-N 2 0 300.368 3.585 20 0 DHADRP Clc1ncccc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000783029700 1021726045 /nfs/dbraw/zinc/72/60/45/1021726045.db2.gz CFGRBWNBPLOVPN-UHFFFAOYSA-N 2 0 318.852 3.624 20 0 DHADRP Cc1c(CC[NH3+])c2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103088 1033006326 /nfs/dbraw/zinc/00/63/26/1033006326.db2.gz RJYWITIOUMAYLK-FVQHAEBGSA-N 2 0 311.473 3.639 20 0 DHADRP CCC1CC([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000556588797 1021780955 /nfs/dbraw/zinc/78/09/55/1021780955.db2.gz INXUKLFJCZSDDD-HLVUACMISA-N 2 0 316.489 3.574 20 0 DHADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000261751441 1021824546 /nfs/dbraw/zinc/82/45/46/1021824546.db2.gz UTTRYXZZHAMLOK-PWRODBHTSA-N 2 0 323.484 3.804 20 0 DHADRP c1cn(-c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)cc2)cn1 ZINC000177186923 1021858593 /nfs/dbraw/zinc/85/85/93/1021858593.db2.gz FNOXTWIXWYXGID-ROUUACIJSA-N 2 0 313.470 3.732 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCc1cccc(Cl)c1)C2 ZINC001172107158 1033011882 /nfs/dbraw/zinc/01/18/82/1033011882.db2.gz TWZMJPQTBJWEBD-BCDXTJNWSA-N 2 0 306.881 3.878 20 0 DHADRP CCCSC[C@@H](C)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000893080136 1021882310 /nfs/dbraw/zinc/88/23/10/1021882310.db2.gz NCSNIQKFFCNLHZ-WBVHZDCISA-N 2 0 317.502 3.825 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(OC(C)C)c1 ZINC000556868952 1021913187 /nfs/dbraw/zinc/91/31/87/1021913187.db2.gz YWTJXFLKBDBUFQ-IPMKNSEASA-N 2 0 316.489 3.745 20 0 DHADRP Cc1ccc(Cl)c(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172114335 1033016379 /nfs/dbraw/zinc/01/63/79/1033016379.db2.gz NJFZNYWKWDPQBU-QKDCVEJESA-N 2 0 324.871 3.935 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1ccccc1F)C2 ZINC001172111346 1033017060 /nfs/dbraw/zinc/01/70/60/1033017060.db2.gz QVRFKIXOTIUKJD-BCDXTJNWSA-N 2 0 318.480 3.999 20 0 DHADRP CCCN1CCC[C@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000556924113 1021947010 /nfs/dbraw/zinc/94/70/10/1021947010.db2.gz FZJMJRWSWKFIOC-YSIASYRMSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000556922324 1021950000 /nfs/dbraw/zinc/95/00/00/1021950000.db2.gz BIVWQIIRJHNTRL-HIFRSBDPSA-N 2 0 318.427 3.962 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000044532797 1021986735 /nfs/dbraw/zinc/98/67/35/1021986735.db2.gz VAYSPZFEVCMDST-IUODEOHRSA-N 2 0 310.894 3.808 20 0 DHADRP CCCCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000155147766 1021993766 /nfs/dbraw/zinc/99/37/66/1021993766.db2.gz NOSNQRQCIIVTAB-UYAOXDASSA-N 2 0 317.521 3.534 20 0 DHADRP COc1c(C)cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000920179122 1022069455 /nfs/dbraw/zinc/06/94/55/1022069455.db2.gz AUXMFGWHATXYCX-INIZCTEOSA-N 2 0 318.505 3.914 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000390641047 1022074145 /nfs/dbraw/zinc/07/41/45/1022074145.db2.gz PUPSXYNSUYZFIO-HXUWFJFHSA-N 2 0 300.490 3.816 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2F)CCC[C@@H]1C[NH3+] ZINC001205995842 1022182729 /nfs/dbraw/zinc/18/27/29/1022182729.db2.gz RBCVSVHSPPTRQI-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000414200405 1022192936 /nfs/dbraw/zinc/19/29/36/1022192936.db2.gz XUNGBFRLARYEMX-CJNGLKHVSA-N 2 0 308.466 3.684 20 0 DHADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242044 1022243006 /nfs/dbraw/zinc/24/30/06/1022243006.db2.gz ZQDQAVOWMLJWTM-WBVHZDCISA-N 2 0 304.453 3.907 20 0 DHADRP CSc1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000659955537 1022246751 /nfs/dbraw/zinc/24/67/51/1022246751.db2.gz BCURGUXFOILNQG-KRWDZBQOSA-N 2 0 304.503 3.716 20 0 DHADRP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169116127 1022257874 /nfs/dbraw/zinc/25/78/74/1022257874.db2.gz OIWYGRDTAJWXNU-VBIBTDTNSA-N 2 0 319.537 3.516 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccc(F)cc3)CCC1)C2 ZINC001169118586 1022258824 /nfs/dbraw/zinc/25/88/24/1022258824.db2.gz KYXILPJXBARGIJ-REPLKXPHSA-N 2 0 316.464 3.753 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC1CC1)c1cccc(F)c1)C2 ZINC001169119015 1022259104 /nfs/dbraw/zinc/25/91/04/1022259104.db2.gz OORKIZFTCBMJDD-OKYOBFRVSA-N 2 0 302.437 3.882 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172209167 1033042329 /nfs/dbraw/zinc/04/23/29/1033042329.db2.gz ZLRMKLMAESEIGK-SFHVURJKSA-N 2 0 318.530 3.900 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3cccc(F)c3)CCC1)C2 ZINC001169109566 1022266905 /nfs/dbraw/zinc/26/69/05/1022266905.db2.gz DJXQXHZAJNDQKA-NNZMDNLPSA-N 2 0 302.437 3.506 20 0 DHADRP CCOCCC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000925536852 1022270109 /nfs/dbraw/zinc/27/01/09/1022270109.db2.gz HPUONOAULVKMSB-KRWDZBQOSA-N 2 0 318.505 3.996 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccccc3Cl)C1)C2 ZINC001169142220 1022271747 /nfs/dbraw/zinc/27/17/47/1022271747.db2.gz SVWGMDCTAZACAY-CAOSSQGBSA-N 2 0 304.865 3.755 20 0 DHADRP COc1cccc([C@@H]2CCCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169141381 1022272004 /nfs/dbraw/zinc/27/20/04/1022272004.db2.gz QGLWTKJCACJFTD-XFKSJGNHSA-N 2 0 314.473 3.847 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccccc3Cl)C1)C2 ZINC001169142230 1022272420 /nfs/dbraw/zinc/27/24/20/1022272420.db2.gz SVWGMDCTAZACAY-LVQVYYBASA-N 2 0 304.865 3.755 20 0 DHADRP C[NH+]1CCC2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000096088697 1033042781 /nfs/dbraw/zinc/04/27/81/1033042781.db2.gz KHADCMXFXCSAGU-UHFFFAOYSA-N 2 0 312.379 3.623 20 0 DHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CCc3ccccc32)C1 ZINC000659974486 1022274457 /nfs/dbraw/zinc/27/44/57/1022274457.db2.gz MWBIYSVPCZBBPM-UYAOXDASSA-N 2 0 312.501 3.770 20 0 DHADRP C[NH+](C)/C=C/c1ccncc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169147214 1022277158 /nfs/dbraw/zinc/27/71/58/1022277158.db2.gz QAHFKFUUDAORFK-NWLOJRJCSA-N 2 0 316.493 3.570 20 0 DHADRP CC1(C)C[C@H](Nc2cc(OC(F)F)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169147645 1022279664 /nfs/dbraw/zinc/27/96/64/1022279664.db2.gz SBEIGQTUXWGBLS-ZBEGNZNMSA-N 2 0 313.392 3.639 20 0 DHADRP Cn1ccc2c1[nH+]ccc2N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169151244 1022281727 /nfs/dbraw/zinc/28/17/27/1022281727.db2.gz HKJGEBFAFZKKCT-FZKQIMNGSA-N 2 0 300.450 3.529 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000538406852 1033046472 /nfs/dbraw/zinc/04/64/72/1033046472.db2.gz WPZCGELKMAHQOG-MSOLQXFVSA-N 2 0 304.865 3.828 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925551265 1022386596 /nfs/dbraw/zinc/38/65/96/1022386596.db2.gz BKTWJDOQORZELU-QUCCMNQESA-N 3 0 317.521 3.711 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268874755 1022387162 /nfs/dbraw/zinc/38/71/62/1022387162.db2.gz VECTUEIPMNOHNG-LPHOPBHVSA-N 2 0 310.441 3.535 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)[C@H](C)C1 ZINC000155400802 1022397241 /nfs/dbraw/zinc/39/72/41/1022397241.db2.gz XAGPONSYGJHOEL-RHSMWYFYSA-N 2 0 306.881 3.692 20 0 DHADRP CC(C)CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000538397823 1033053652 /nfs/dbraw/zinc/05/36/52/1033053652.db2.gz CFTIPGWLUJMKQW-ROUUACIJSA-N 2 0 310.526 3.536 20 0 DHADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000538397824 1033054105 /nfs/dbraw/zinc/05/41/05/1033054105.db2.gz CFTIPGWLUJMKQW-ZWKOTPCHSA-N 2 0 310.526 3.536 20 0 DHADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000925554462 1022413584 /nfs/dbraw/zinc/41/35/84/1022413584.db2.gz AOVKSYAACHOEGW-HCXYKTFWSA-N 2 0 322.537 3.559 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001169683195 1022497690 /nfs/dbraw/zinc/49/76/90/1022497690.db2.gz JCZUJTZAIMIYEC-ROUUACIJSA-N 2 0 322.456 3.746 20 0 DHADRP C[C@H]([NH2+]CCc1ccsc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374726 1022501853 /nfs/dbraw/zinc/50/18/53/1022501853.db2.gz BBRVIIQUXXLNFY-QFBILLFUSA-N 2 0 314.498 3.791 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(C)(C)CC[NH+](C)C)nc1 ZINC001169715835 1022517987 /nfs/dbraw/zinc/51/79/87/1022517987.db2.gz KOYJELQKTGXGOI-MRXNPFEDSA-N 2 0 318.509 3.598 20 0 DHADRP Cc1csc(CCCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925567823 1022533979 /nfs/dbraw/zinc/53/39/79/1022533979.db2.gz QFECUYPFYGZOKX-IRXDYDNUSA-N 2 0 321.534 3.532 20 0 DHADRP C[C@H]([NH2+]CCCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866758 1022577297 /nfs/dbraw/zinc/57/72/97/1022577297.db2.gz DYEWEKAXZHPYLR-GOEBONIOSA-N 2 0 314.395 3.829 20 0 DHADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925577997 1022592548 /nfs/dbraw/zinc/59/25/48/1022592548.db2.gz YKCVSSHLVIXSPR-QRVBRYPASA-N 2 0 304.478 3.507 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1OC ZINC000158123953 1022604049 /nfs/dbraw/zinc/60/40/49/1022604049.db2.gz BJQMHVIENMWCLG-BBRMVZONSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000158185256 1022611810 /nfs/dbraw/zinc/61/18/10/1022611810.db2.gz ASMYDWJIFJTHFH-BFQNTYOBSA-N 2 0 315.288 3.854 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000158271264 1022622343 /nfs/dbraw/zinc/62/23/43/1022622343.db2.gz YRYKDYDKDWITPD-IAGOWNOFSA-N 2 0 309.457 3.741 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000158805871 1022668024 /nfs/dbraw/zinc/66/80/24/1022668024.db2.gz CNODBQQKFRGBKG-CTNGQTDRSA-N 2 0 324.468 3.635 20 0 DHADRP COc1cccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000158939075 1022675887 /nfs/dbraw/zinc/67/58/87/1022675887.db2.gz LTJBDEJNIJXFBS-UHFFFAOYSA-N 2 0 316.489 3.624 20 0 DHADRP Cc1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000621272269 1022692057 /nfs/dbraw/zinc/69/20/57/1022692057.db2.gz KCFYTKWMVIPMNZ-UHFFFAOYSA-N 2 0 324.472 3.524 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000159135325 1022694414 /nfs/dbraw/zinc/69/44/14/1022694414.db2.gz SJKBRAIKAYEIED-DLBZAZTESA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925613270 1022806137 /nfs/dbraw/zinc/80/61/37/1022806137.db2.gz BXCGBYHZUWQISU-DJIMGWMZSA-N 2 0 318.486 3.630 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925618507 1022841848 /nfs/dbraw/zinc/84/18/48/1022841848.db2.gz WIAVXSIJBYXWSI-RWBZWWBESA-N 2 0 319.493 3.985 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172321398 1033084884 /nfs/dbraw/zinc/08/48/84/1033084884.db2.gz KGNJIHQSKLJYOG-BJLQDIEVSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC(C)C2)CC1 ZINC000621738351 1022846183 /nfs/dbraw/zinc/84/61/83/1022846183.db2.gz CZYYBCISIOWFBF-TVRKMHQQSA-N 2 0 300.490 3.718 20 0 DHADRP CC(C)OC1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925624477 1022876335 /nfs/dbraw/zinc/87/63/35/1022876335.db2.gz YJPRJPJQQRLVSV-CTWPCTMYSA-N 2 0 304.478 3.792 20 0 DHADRP CCc1ccccc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001141227084 1022892542 /nfs/dbraw/zinc/89/25/42/1022892542.db2.gz UCDZLPDAULLBKQ-UHFFFAOYSA-N 2 0 300.490 3.803 20 0 DHADRP CC(C)CC[NH+]1CCC(N[C@@H](c2cccnc2)C2CC2)CC1 ZINC000925642366 1022928128 /nfs/dbraw/zinc/92/81/28/1022928128.db2.gz GLDVQLHDTXTHDD-LJQANCHMSA-N 2 0 301.478 3.633 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000414933076 1022940386 /nfs/dbraw/zinc/94/03/86/1022940386.db2.gz WMAGTOFULHWBHZ-SJORKVTESA-N 2 0 320.477 3.624 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000414933066 1022940782 /nfs/dbraw/zinc/94/07/82/1022940782.db2.gz WMAGTOFULHWBHZ-DLBZAZTESA-N 2 0 320.477 3.624 20 0 DHADRP COC1CCC(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925647968 1022948748 /nfs/dbraw/zinc/94/87/48/1022948748.db2.gz KZYTYPQERJIXDS-NKELODKYSA-N 2 0 304.478 3.652 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)[C@H](C)C1 ZINC000164773229 1022960047 /nfs/dbraw/zinc/96/00/47/1022960047.db2.gz BAVHYUGMLKESHF-QTMHVTGLSA-N 2 0 310.526 3.538 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296048874 1023000282 /nfs/dbraw/zinc/00/02/82/1023000282.db2.gz UZAGEQLIRVDVOR-UXDRXVOSSA-N 2 0 316.489 3.997 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001167755047 1023054176 /nfs/dbraw/zinc/05/41/76/1023054176.db2.gz ZHABRWCPANCQKE-IEBWSBKVSA-N 2 0 315.505 3.830 20 0 DHADRP Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cnc1Cl ZINC000768928018 1023060485 /nfs/dbraw/zinc/06/04/85/1023060485.db2.gz ZILYRTVZPQOKRS-UHFFFAOYSA-N 2 0 309.885 3.596 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249870977 1023063601 /nfs/dbraw/zinc/06/36/01/1023063601.db2.gz GEQYQWFORAWPRC-UXLLHSPISA-N 2 0 310.551 3.761 20 0 DHADRP C[C@@]1(CN[C@H]2CCc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310085512 1023077855 /nfs/dbraw/zinc/07/78/55/1023077855.db2.gz NDDXJGBBDJNGDA-FPOVZHCZSA-N 2 0 321.468 3.571 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c2ccccc2O1 ZINC000925679903 1023095831 /nfs/dbraw/zinc/09/58/31/1023095831.db2.gz NHQUMKVAFCCPTL-GRGSLBFTSA-N 2 0 314.473 3.657 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089696909 1023097668 /nfs/dbraw/zinc/09/76/68/1023097668.db2.gz OYQBJJGMCVNCHP-MEDUHNTESA-N 2 0 313.272 3.912 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C[C@H]1C ZINC001172372348 1033106419 /nfs/dbraw/zinc/10/64/19/1033106419.db2.gz XMTBBQWWDXZZBB-IIDMSEBBSA-N 2 0 304.453 3.900 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CCO1 ZINC000387086826 1023120675 /nfs/dbraw/zinc/12/06/75/1023120675.db2.gz QUFRAIUCHMCOED-MOPGFXCFSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000194048889 1023149558 /nfs/dbraw/zinc/14/95/58/1023149558.db2.gz PVVNTUYKSUBNLL-HKUYNNGSSA-N 2 0 306.494 3.656 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000194920224 1023198485 /nfs/dbraw/zinc/19/84/85/1023198485.db2.gz TWAVYXYBZAWBML-SFHVURJKSA-N 2 0 316.489 3.925 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000769876888 1023238766 /nfs/dbraw/zinc/23/87/66/1023238766.db2.gz UXXOUHIJBOPMEW-CABCVRRESA-N 2 0 307.482 3.708 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769876534 1023239282 /nfs/dbraw/zinc/23/92/82/1023239282.db2.gz SVEVHYZAJHCCJR-OWCLPIDISA-N 2 0 321.509 3.954 20 0 DHADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925701986 1023277261 /nfs/dbraw/zinc/27/72/61/1023277261.db2.gz IYFKLZZFGCLYBX-KKUMJFAQSA-N 2 0 319.320 3.718 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccccc1 ZINC000925705441 1023293658 /nfs/dbraw/zinc/29/36/58/1023293658.db2.gz JCBOUYMMIHJOSY-IRXDYDNUSA-N 2 0 304.503 3.590 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651679360 1023453256 /nfs/dbraw/zinc/45/32/56/1023453256.db2.gz YKBJCFQYCSSCMC-HOTGVXAUSA-N 2 0 315.461 3.676 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651705992 1023480438 /nfs/dbraw/zinc/48/04/38/1023480438.db2.gz OTPZTKATUPDLSU-MRXNPFEDSA-N 2 0 309.457 3.741 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651748390 1023516278 /nfs/dbraw/zinc/51/62/78/1023516278.db2.gz JTPQLGAPLVIXEO-INIZCTEOSA-N 2 0 307.441 3.661 20 0 DHADRP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC001172366874 1033145955 /nfs/dbraw/zinc/14/59/55/1033145955.db2.gz IFNIQAIJBNLBFI-XYJFISCASA-N 2 0 316.489 3.770 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(C)C)cc2)[C@H](C)C1 ZINC000538717201 1033143174 /nfs/dbraw/zinc/14/31/74/1033143174.db2.gz JUCDSNGARLPGBO-XLIONFOSSA-N 2 0 318.505 3.884 20 0 DHADRP CC[N@H+](CCC[NH2+][C@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000651910580 1023633492 /nfs/dbraw/zinc/63/34/92/1023633492.db2.gz ZQIKGWRLPVDVHR-IBGZPJMESA-N 2 0 322.537 3.970 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001170061472 1023714876 /nfs/dbraw/zinc/71/48/76/1023714876.db2.gz RAVIHUUOADSKJS-QGZVFWFLSA-N 2 0 306.494 3.931 20 0 DHADRP CCOCC[C@@H](C)[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172414394 1033158715 /nfs/dbraw/zinc/15/87/15/1033158715.db2.gz PUEGSIMQZLYKHL-BHIYHBOVSA-N 2 0 310.526 3.954 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925731505 1023778994 /nfs/dbraw/zinc/77/89/94/1023778994.db2.gz SXHGGXMRUSEILX-RTXFEEFZSA-N 2 0 315.383 3.657 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1Cl ZINC000796692295 1023798909 /nfs/dbraw/zinc/79/89/09/1023798909.db2.gz DFAJJQHWRIRPLE-OLZOCXBDSA-N 2 0 307.825 3.593 20 0 DHADRP [NH3+]CCC1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000652359607 1023815093 /nfs/dbraw/zinc/81/50/93/1023815093.db2.gz JRDUSLGREYJVAD-UHFFFAOYSA-N 2 0 314.395 3.699 20 0 DHADRP C[C@H]1SCC[N@H+](CC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000788481031 1023891128 /nfs/dbraw/zinc/89/11/28/1023891128.db2.gz OWBTUKWRTAILBI-CRAIPNDOSA-N 2 0 304.503 3.507 20 0 DHADRP CCCCCC[C@H](CCC)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172382854 1033170887 /nfs/dbraw/zinc/17/08/87/1033170887.db2.gz DSRPIGUIMWRJLH-SLFFLAALSA-N 2 0 323.569 3.836 20 0 DHADRP C[N@H+](CCC[NH3+])[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408355 1023986026 /nfs/dbraw/zinc/98/60/26/1023986026.db2.gz ZYMYPHHVLNUSFE-LSDHHAIUSA-N 2 0 300.368 3.622 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001172394998 1033177869 /nfs/dbraw/zinc/17/78/69/1033177869.db2.gz BHRZKWCDUNTRQQ-IBGZPJMESA-N 2 0 310.526 3.636 20 0 DHADRP Fc1ccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000662248406 1024029943 /nfs/dbraw/zinc/02/99/43/1024029943.db2.gz APTUYVZPTUPCGS-UHFFFAOYSA-N 2 0 310.416 3.636 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000925760999 1024048908 /nfs/dbraw/zinc/04/89/08/1024048908.db2.gz WQJKSNWDNWHBBS-IAGOWNOFSA-N 2 0 301.478 3.620 20 0 DHADRP CC[C@@H](CC(C)C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172400291 1033183960 /nfs/dbraw/zinc/18/39/60/1033183960.db2.gz IZJSETFPORCDIM-IRXDYDNUSA-N 2 0 310.526 3.823 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000876933794 1033185910 /nfs/dbraw/zinc/18/59/10/1033185910.db2.gz ZITREZWDPNFQOO-CQSZACIVSA-N 2 0 309.885 3.524 20 0 DHADRP FC(F)(F)c1cccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150810860 1024081718 /nfs/dbraw/zinc/08/17/18/1024081718.db2.gz ZVRVAROKPYTVHJ-OAHLLOKOSA-N 2 0 312.379 3.623 20 0 DHADRP CC[C@H](CC(C)C)[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001172398193 1033182350 /nfs/dbraw/zinc/18/23/50/1033182350.db2.gz TWRPKEMYGJNWNY-IXDOHACOSA-N 2 0 306.519 3.936 20 0 DHADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])ccc1SC ZINC000662312425 1024104065 /nfs/dbraw/zinc/10/40/65/1024104065.db2.gz GJDXYGZGNRWKRX-GDBMZVCRSA-N 2 0 322.518 3.757 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1CCC[NH3+] ZINC000662313819 1024105389 /nfs/dbraw/zinc/10/53/89/1024105389.db2.gz NHFKNIMXCZPHIV-UKRRQHHQSA-N 2 0 309.523 3.780 20 0 DHADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662325126 1024107964 /nfs/dbraw/zinc/10/79/64/1024107964.db2.gz IILWBYDLQJUJFE-RBUKOAKNSA-N 2 0 318.505 3.715 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000876934089 1033186832 /nfs/dbraw/zinc/18/68/32/1033186832.db2.gz DJIWNLPJQOPRLJ-UHFFFAOYSA-N 2 0 309.885 3.524 20 0 DHADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CCCC2 ZINC000925765039 1024130086 /nfs/dbraw/zinc/13/00/86/1024130086.db2.gz CTOHJMLZBHXYMZ-YOEHRIQHSA-N 2 0 320.477 3.578 20 0 DHADRP Cc1cccc(NC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000268586028 1024130196 /nfs/dbraw/zinc/13/01/96/1024130196.db2.gz UUIXFEDYBHJXEL-FQEVSTJZSA-N 2 0 315.505 3.746 20 0 DHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)COC2 ZINC000268733459 1024150397 /nfs/dbraw/zinc/15/03/97/1024150397.db2.gz NDKNBARQOXNUIX-HOTGVXAUSA-N 2 0 302.462 3.632 20 0 DHADRP C[C@@H](NC1(C[NH2+]C[C@H]2CCC=CO2)CCCC1)c1ccccc1 ZINC000789743438 1024161516 /nfs/dbraw/zinc/16/15/16/1024161516.db2.gz ANLNRCNNOFJEAU-IEBWSBKVSA-N 2 0 314.473 3.932 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001170119798 1024165326 /nfs/dbraw/zinc/16/53/26/1024165326.db2.gz CRUUXLFDKXGRFM-RHSMWYFYSA-N 2 0 306.881 3.864 20 0 DHADRP FC(F)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663344187 1024167932 /nfs/dbraw/zinc/16/79/32/1024167932.db2.gz PBIJLLTXQAQEOP-INIZCTEOSA-N 2 0 308.416 3.836 20 0 DHADRP Fc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663346190 1024174997 /nfs/dbraw/zinc/17/49/97/1024174997.db2.gz QHSDWPPONCPZPL-OAHLLOKOSA-N 2 0 310.844 3.691 20 0 DHADRP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347011 1024179306 /nfs/dbraw/zinc/17/93/06/1024179306.db2.gz FLAWVJCSLLLRMY-IBGZPJMESA-N 2 0 316.489 3.687 20 0 DHADRP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663346333 1024181245 /nfs/dbraw/zinc/18/12/45/1024181245.db2.gz KIEBLFKQLBJVQB-KRWDZBQOSA-N 2 0 304.503 3.620 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268883382 1024186702 /nfs/dbraw/zinc/18/67/02/1024186702.db2.gz FPMBPVYXBZMTFN-OAHLLOKOSA-N 2 0 302.462 3.632 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000268976390 1024209525 /nfs/dbraw/zinc/20/95/25/1024209525.db2.gz GXYHYJIYBALOMJ-ZIAGYGMSSA-N 2 0 305.491 3.720 20 0 DHADRP Cc1ccncc1CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278871214 1024252726 /nfs/dbraw/zinc/25/27/26/1024252726.db2.gz GEWOTLPMEFFXOV-PKOBYXMFSA-N 2 0 315.505 3.565 20 0 DHADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@H]1CCCSC1 ZINC000131075708 1024253170 /nfs/dbraw/zinc/25/31/70/1024253170.db2.gz MTEINSPPBISOGN-SFHVURJKSA-N 2 0 304.503 3.658 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1F ZINC000531699231 1024274856 /nfs/dbraw/zinc/27/48/56/1024274856.db2.gz IMNAOGAXOFIWTE-KGLIPLIRSA-N 2 0 310.482 3.930 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531731409 1024285750 /nfs/dbraw/zinc/28/57/50/1024285750.db2.gz CMOXZZAENMSXPM-IIBYNOLFSA-N 2 0 312.501 3.923 20 0 DHADRP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883207161 1024286348 /nfs/dbraw/zinc/28/63/48/1024286348.db2.gz HHUDRBMIGWCMRD-LPHOPBHVSA-N 2 0 313.489 3.919 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876989028 1033200343 /nfs/dbraw/zinc/20/03/43/1033200343.db2.gz RQQUMHJEXLFQQS-LBPRGKRZSA-N 2 0 323.893 3.771 20 0 DHADRP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000883233805 1024307508 /nfs/dbraw/zinc/30/75/08/1024307508.db2.gz PPOQAZIZOAVLRP-QFBILLFUSA-N 2 0 322.537 3.682 20 0 DHADRP c1coc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453059518 1024310347 /nfs/dbraw/zinc/31/03/47/1024310347.db2.gz QLGDIEDVHYJMTM-SLFFLAALSA-N 2 0 310.441 3.812 20 0 DHADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000883266510 1024339902 /nfs/dbraw/zinc/33/99/02/1024339902.db2.gz BXYAYKNSSCITGM-OTWHNJEPSA-N 2 0 314.473 3.535 20 0 DHADRP Clc1cccc([C@H]2C[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168359678 1033204342 /nfs/dbraw/zinc/20/43/42/1033204342.db2.gz FFSGQZZELWZPOL-QZTJIDSGSA-N 2 0 304.865 3.660 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000453127657 1024357793 /nfs/dbraw/zinc/35/77/93/1024357793.db2.gz LMMHDDVKAFSEFL-SQWLQELKSA-N 2 0 310.507 3.633 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000453192531 1024390242 /nfs/dbraw/zinc/39/02/42/1024390242.db2.gz GTUYMSMVWOHOMD-KRWDZBQOSA-N 2 0 303.494 3.504 20 0 DHADRP FC(F)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000663463427 1024392097 /nfs/dbraw/zinc/39/20/97/1024392097.db2.gz BCOBUXZXPOJKJB-KRWDZBQOSA-N 2 0 308.416 3.760 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(Cl)c2N)c1 ZINC000877020476 1033208249 /nfs/dbraw/zinc/20/82/49/1033208249.db2.gz VDWJZRVZJYFBCG-UHFFFAOYSA-N 2 0 317.864 3.664 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000453209144 1024403634 /nfs/dbraw/zinc/40/36/34/1024403634.db2.gz CYKNXWRHWXWLRB-AZUAARDMSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H](C)c1ccccc1 ZINC000663467970 1024405489 /nfs/dbraw/zinc/40/54/89/1024405489.db2.gz JCJVDOYKZJKWQB-AOIWGVFYSA-N 2 0 300.490 3.890 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000663468000 1024405797 /nfs/dbraw/zinc/40/57/97/1024405797.db2.gz JNVHNSOYENFWCY-XLIONFOSSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466969 1024407665 /nfs/dbraw/zinc/40/76/65/1024407665.db2.gz CHAOYEQYYDXMFT-VQIMIIECSA-N 2 0 318.480 3.858 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466967 1024408656 /nfs/dbraw/zinc/40/86/56/1024408656.db2.gz CHAOYEQYYDXMFT-LPHOPBHVSA-N 2 0 318.480 3.858 20 0 DHADRP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000663466817 1024408686 /nfs/dbraw/zinc/40/86/86/1024408686.db2.gz XSORNRHUKZQNLA-AZUAARDMSA-N 2 0 315.505 3.880 20 0 DHADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663468883 1024412445 /nfs/dbraw/zinc/41/24/45/1024412445.db2.gz NEWBFSJVWIDHFY-WMZOPIPTSA-N 2 0 316.514 3.935 20 0 DHADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467701 1024414571 /nfs/dbraw/zinc/41/45/71/1024414571.db2.gz HFNYNSRXACWJFA-VQTJNVASSA-N 2 0 300.490 3.719 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000663468598 1024416256 /nfs/dbraw/zinc/41/62/56/1024416256.db2.gz MKFNLFJBQHHDRA-YLJYHZDGSA-N 2 0 316.489 3.858 20 0 DHADRP COc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663471144 1024417654 /nfs/dbraw/zinc/41/76/54/1024417654.db2.gz XAGVMCNBVAIRII-GDBMZVCRSA-N 2 0 320.452 3.607 20 0 DHADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453235196 1024418447 /nfs/dbraw/zinc/41/84/47/1024418447.db2.gz TYMBVWNZRCVADP-JCECYMMASA-N 2 0 320.427 3.673 20 0 DHADRP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172456393 1033209853 /nfs/dbraw/zinc/20/98/53/1033209853.db2.gz DPMHXDHJPRIZNA-AZUAARDMSA-N 2 0 318.505 3.549 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469518 1024420683 /nfs/dbraw/zinc/42/06/83/1024420683.db2.gz PZYLNUJIHVUSAK-HNAYVOBHSA-N 2 0 302.437 3.525 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCCSC1 ZINC000131742232 1024429583 /nfs/dbraw/zinc/42/95/83/1024429583.db2.gz DETLLVAAVJRIIG-JFIYKMOQSA-N 2 0 318.530 3.628 20 0 DHADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000883417516 1024431743 /nfs/dbraw/zinc/43/17/43/1024431743.db2.gz CNRGQEKERGRUGZ-WOJBJXKFSA-N 2 0 316.489 3.618 20 0 DHADRP CCC[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883423980 1024433188 /nfs/dbraw/zinc/43/31/88/1024433188.db2.gz AQYKSHJIFPDKJE-VQTJNVASSA-N 2 0 316.489 3.761 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000453242196 1024435335 /nfs/dbraw/zinc/43/53/35/1024435335.db2.gz VPCRGBUOCPUOKI-JUKXDHOLSA-N 2 0 302.437 3.662 20 0 DHADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@@H]1CCC[NH3+] ZINC000883435767 1024435892 /nfs/dbraw/zinc/43/58/92/1024435892.db2.gz BRHLMVRUPJSLBL-MDNKFWRPSA-N 2 0 316.489 3.746 20 0 DHADRP C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)[C@@H]1CCC[NH3+] ZINC000883435765 1024436489 /nfs/dbraw/zinc/43/64/89/1024436489.db2.gz BRHLMVRUPJSLBL-AFYVEPGGSA-N 2 0 316.489 3.746 20 0 DHADRP CC[C@@](C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000453300368 1024447632 /nfs/dbraw/zinc/44/76/32/1024447632.db2.gz MBSRXKMIMWDIQU-YRPNKDGESA-N 2 0 316.489 3.587 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000453275672 1024448931 /nfs/dbraw/zinc/44/89/31/1024448931.db2.gz YXSCCMOONFHOMB-ZJXIFLPPSA-N 2 0 300.490 3.889 20 0 DHADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1cccc2ccccc21 ZINC000925781405 1024461777 /nfs/dbraw/zinc/46/17/77/1024461777.db2.gz YLKGXDZIFTWQNH-VQIMIIECSA-N 2 0 300.446 3.634 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000271183422 1024466374 /nfs/dbraw/zinc/46/63/74/1024466374.db2.gz LBQQKELGRDCCLG-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP Cc1nccn1CCCC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178829 1024485347 /nfs/dbraw/zinc/48/53/47/1024485347.db2.gz KXCUHOGJIXGOCT-UHFFFAOYSA-N 2 0 319.399 3.919 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001172463358 1033214555 /nfs/dbraw/zinc/21/45/55/1033214555.db2.gz MZGAKDPFNABLQD-QGZVFWFLSA-N 2 0 310.526 3.824 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000271335102 1024491800 /nfs/dbraw/zinc/49/18/00/1024491800.db2.gz BCYVGBKGODOYAR-JZXOWHBKSA-N 2 0 303.494 3.799 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000453398650 1024497495 /nfs/dbraw/zinc/49/74/95/1024497495.db2.gz KSGQWSGKCYVVJU-FQEVSTJZSA-N 2 0 300.490 3.780 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000453400413 1024498858 /nfs/dbraw/zinc/49/88/58/1024498858.db2.gz MBPTYJYCOVDFEZ-ICSRJNTNSA-N 2 0 300.490 3.862 20 0 DHADRP CCC(C)(C)OCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000453403540 1024502274 /nfs/dbraw/zinc/50/22/74/1024502274.db2.gz GSGVUEDWFUFJOK-FUHWJXTLSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453412623 1024505300 /nfs/dbraw/zinc/50/53/00/1024505300.db2.gz WCKKZQCKWQGCNI-AWEZNQCLSA-N 2 0 310.432 3.750 20 0 DHADRP COC1(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000365227520 1024522207 /nfs/dbraw/zinc/52/22/07/1024522207.db2.gz RXVXJFCQJBEHDS-WDSOQIARSA-N 2 0 316.489 3.617 20 0 DHADRP Cc1cc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)ccc1F ZINC000271501005 1024523988 /nfs/dbraw/zinc/52/39/88/1024523988.db2.gz MCTNYFMVMHYCHJ-ZIFCJYIRSA-N 2 0 302.437 3.802 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000282842181 1024533682 /nfs/dbraw/zinc/53/36/82/1024533682.db2.gz STSNGXRXZVVWPX-BIENJYKASA-N 2 0 317.452 3.558 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1csc(-c2ccsc2)n1)C1CC1 ZINC000453590816 1024546208 /nfs/dbraw/zinc/54/62/08/1024546208.db2.gz BNVXHMMFOOPWBG-UHFFFAOYSA-N 2 0 321.515 3.836 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(Cl)c2cccnc12)C1CC1 ZINC000453601769 1024548214 /nfs/dbraw/zinc/54/82/14/1024548214.db2.gz VQINIZOQNWHRQP-UHFFFAOYSA-N 2 0 317.864 3.852 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1csc(-c2ccccc2)n1 ZINC000925792324 1024558166 /nfs/dbraw/zinc/55/81/66/1024558166.db2.gz FTKAZFXRVFBZDM-IIAWOOMASA-N 2 0 315.486 3.706 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000532192694 1024572210 /nfs/dbraw/zinc/57/22/10/1024572210.db2.gz BJEPFWJGJOVRRJ-BBWFWOEESA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000532243531 1024589795 /nfs/dbraw/zinc/58/97/95/1024589795.db2.gz RPHHWTLEEUODMQ-OAHLLOKOSA-N 2 0 316.489 3.714 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC1=CCCCC1 ZINC001202595077 1024597648 /nfs/dbraw/zinc/59/76/48/1024597648.db2.gz ICHDWYYYNADKDU-UHFFFAOYSA-N 2 0 314.473 3.751 20 0 DHADRP Cc1nccn1CCCN(C)Cc1csc(CCC(C)C)n1 ZINC000348254792 1024601270 /nfs/dbraw/zinc/60/12/70/1024601270.db2.gz GAMOZSMQVOLMFR-UHFFFAOYSA-N 2 0 320.506 3.759 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000925801758 1024615141 /nfs/dbraw/zinc/61/51/41/1024615141.db2.gz XBOYVMHRVDMSCT-MBNYWOFBSA-N 2 0 300.368 3.602 20 0 DHADRP CSC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925802616 1024622736 /nfs/dbraw/zinc/62/27/36/1024622736.db2.gz PELXQRHYWAKMBU-NHHFINERSA-N 2 0 310.551 3.809 20 0 DHADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438390 1024643470 /nfs/dbraw/zinc/64/34/70/1024643470.db2.gz ACVGJPCVIGDJPN-PXNSSMCTSA-N 2 0 312.457 3.712 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1OC ZINC001167841014 1024651322 /nfs/dbraw/zinc/65/13/22/1024651322.db2.gz JKFHFYIVBJLKHO-MRXNPFEDSA-N 2 0 322.493 3.646 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCC(C)(C)O2)CC1 ZINC001167841897 1024664283 /nfs/dbraw/zinc/66/42/83/1024664283.db2.gz UDZFKSKHXJRIPW-QGZVFWFLSA-N 2 0 310.526 3.921 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001170174892 1024680311 /nfs/dbraw/zinc/68/03/11/1024680311.db2.gz FXDDHZDDCBVQJF-PKOBYXMFSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC001170193762 1024688590 /nfs/dbraw/zinc/68/85/90/1024688590.db2.gz FZNSDOGCLZEUDA-UXHICEINSA-N 2 0 322.537 3.826 20 0 DHADRP Clc1csc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1 ZINC000877075964 1033228972 /nfs/dbraw/zinc/22/89/72/1033228972.db2.gz HNAQGIUGGALDCU-UHFFFAOYSA-N 2 0 313.898 3.683 20 0 DHADRP CC[C@@H]1C[C@H]([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001170247737 1024722709 /nfs/dbraw/zinc/72/27/09/1024722709.db2.gz YACBFVAUWAOGLD-RTBURBONSA-N 2 0 308.510 3.673 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000666144217 1024729008 /nfs/dbraw/zinc/72/90/08/1024729008.db2.gz LCBQYWTUOZOHAV-HNNXBMFYSA-N 2 0 306.881 3.661 20 0 DHADRP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000877080700 1033232431 /nfs/dbraw/zinc/23/24/31/1033232431.db2.gz MZJQBGQFXXUJTP-GFCCVEGCSA-N 2 0 305.293 3.567 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccnc1 ZINC000112537946 1024778000 /nfs/dbraw/zinc/77/80/00/1024778000.db2.gz WORNUKUWVVEVTF-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP CCCCCC[C@@H](CCCC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001172513569 1033239809 /nfs/dbraw/zinc/23/98/09/1033239809.db2.gz NUWROBFDMMCYOU-LJQANCHMSA-N 2 0 311.558 3.695 20 0 DHADRP Cc1nc(CN2CCC(C[NH2+][C@@H](C)C3CCCC3)CC2)oc1C ZINC000162778992 1024884968 /nfs/dbraw/zinc/88/49/68/1024884968.db2.gz RLLBXUXXFLLZAN-HNNXBMFYSA-N 2 0 319.493 3.672 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172551042 1033243922 /nfs/dbraw/zinc/24/39/22/1033243922.db2.gz DIOAQXASSWCBDW-WOJBJXKFSA-N 2 0 300.490 3.986 20 0 DHADRP Cc1sccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000353258941 1025005201 /nfs/dbraw/zinc/00/52/01/1025005201.db2.gz NGAFWNSHKBDDQA-KDURUIRLSA-N 2 0 312.482 3.620 20 0 DHADRP CC(C)CCOc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000320163563 1025009708 /nfs/dbraw/zinc/00/97/08/1025009708.db2.gz YAOUAVHZBMGGQQ-WOJBJXKFSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000648490242 1025023709 /nfs/dbraw/zinc/02/37/09/1025023709.db2.gz OGODUEUBIQKCHJ-IAGOWNOFSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1F ZINC000120813847 1025054690 /nfs/dbraw/zinc/05/46/90/1025054690.db2.gz FXQRVTBJABQYOE-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP CCC[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877143262 1033256611 /nfs/dbraw/zinc/25/66/11/1033256611.db2.gz JNIOIMBSMFEXRI-UHFFFAOYSA-N 2 0 323.893 3.914 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000353502455 1025089418 /nfs/dbraw/zinc/08/94/18/1025089418.db2.gz LKLYDFXFWPWXJF-NSHGMRRFSA-N 2 0 318.505 3.925 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353505042 1025095430 /nfs/dbraw/zinc/09/54/30/1025095430.db2.gz ULAYBZYNHAXTRG-UAGQMJEPSA-N 2 0 316.420 3.843 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2conc2C)CC1)CC(C)C ZINC000353518619 1025103204 /nfs/dbraw/zinc/10/32/04/1025103204.db2.gz LFPQVBHCYSQYQA-UHFFFAOYSA-N 2 0 307.482 3.563 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353546845 1025117809 /nfs/dbraw/zinc/11/78/09/1025117809.db2.gz WWUQLHSTLVHVRC-KSZLIROESA-N 2 0 322.493 3.651 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000539045331 1033262887 /nfs/dbraw/zinc/26/28/87/1033262887.db2.gz KHGHHVNNFWNLNZ-HKUYNNGSSA-N 2 0 324.553 3.929 20 0 DHADRP Cc1cncc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000353626180 1025163059 /nfs/dbraw/zinc/16/30/59/1025163059.db2.gz XQCIXBQBSZMAFC-UHFFFAOYSA-N 2 0 323.484 3.923 20 0 DHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000353654077 1025180088 /nfs/dbraw/zinc/18/00/88/1025180088.db2.gz ZUKJUQZVDJEEPF-MRXNPFEDSA-N 2 0 310.482 3.694 20 0 DHADRP COCCCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000348327967 1025182240 /nfs/dbraw/zinc/18/22/40/1025182240.db2.gz UQQBKXHZCALVQA-MOPGFXCFSA-N 2 0 304.478 3.618 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2)cc1 ZINC000539087034 1033265609 /nfs/dbraw/zinc/26/56/09/1033265609.db2.gz PUHSVSCOZDAJAA-IIBYNOLFSA-N 2 0 324.468 3.792 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000040620755 1025239744 /nfs/dbraw/zinc/23/97/44/1025239744.db2.gz ABJQOPBWTSLZBC-CYBMUJFWSA-N 2 0 300.368 3.525 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000040622729 1025241432 /nfs/dbraw/zinc/24/14/32/1025241432.db2.gz VWSAVVJEUANWKZ-MXWWQKGMSA-N 2 0 306.881 3.906 20 0 DHADRP COc1ccccc1CC1([NH3+])CC[NH+](C2CCC(C)CC2)CC1 ZINC001168205628 1025319706 /nfs/dbraw/zinc/31/97/06/1025319706.db2.gz HJUHKNHNAPQTDD-UHFFFAOYSA-N 2 0 316.489 3.610 20 0 DHADRP C[C@H]1C[C@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000666638432 1025326774 /nfs/dbraw/zinc/32/67/74/1025326774.db2.gz OCUGVYLCKPPZCX-UONOGXRCSA-N 2 0 308.416 3.532 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000501770125 1025334218 /nfs/dbraw/zinc/33/42/18/1025334218.db2.gz MSGZKTDQHMKVCK-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1C(F)F)CC2 ZINC001139800681 1025343752 /nfs/dbraw/zinc/34/37/52/1025343752.db2.gz UYXSEGHGKDGKCR-UHFFFAOYSA-N 2 0 308.416 3.932 20 0 DHADRP COc1ccc2cc(C[N@H+](C)CC3CC[NH+](C)CC3)ccc2c1 ZINC000093088717 1025351794 /nfs/dbraw/zinc/35/17/94/1025351794.db2.gz PZCNFFRQDJDTKP-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP CCCC[C@H](CC)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000438124259 1025371765 /nfs/dbraw/zinc/37/17/65/1025371765.db2.gz ZXYLNPNBRSSZCK-ZSYWTGECSA-N 2 0 310.526 3.776 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207263 1025382650 /nfs/dbraw/zinc/38/26/50/1025382650.db2.gz LPGOLHAEUDQLDV-WBVHZDCISA-N 2 0 313.445 3.646 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000125352507 1025397963 /nfs/dbraw/zinc/39/79/63/1025397963.db2.gz GLSWYPBOTJUZTO-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP CC1(C)CC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000885901658 1025402117 /nfs/dbraw/zinc/40/21/17/1025402117.db2.gz OENURAJPGKLLJP-HNNXBMFYSA-N 2 0 308.510 3.767 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885969538 1025424935 /nfs/dbraw/zinc/42/49/35/1025424935.db2.gz VRCVJSFTQBZZRC-ROUUACIJSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000354837482 1025520644 /nfs/dbraw/zinc/52/06/44/1025520644.db2.gz OFWLLTKYRVPEID-QUCCMNQESA-N 2 0 318.505 3.646 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000354837481 1025521222 /nfs/dbraw/zinc/52/12/22/1025521222.db2.gz OFWLLTKYRVPEID-ICSRJNTNSA-N 2 0 318.505 3.646 20 0 DHADRP CC1(C)CC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000886491688 1025649499 /nfs/dbraw/zinc/64/94/99/1025649499.db2.gz MKQRSSOUMFRPEE-UHFFFAOYSA-N 3 0 321.553 3.682 20 0 DHADRP Cc1csc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886522488 1025675043 /nfs/dbraw/zinc/67/50/43/1025675043.db2.gz KEWLCBSWDLZKCH-HPUBIQBYSA-N 2 0 307.507 3.899 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886525920 1025675893 /nfs/dbraw/zinc/67/58/93/1025675893.db2.gz AZGPHALEONZHJI-BELGNNRLSA-N 2 0 305.466 3.739 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1 ZINC000886533121 1025680413 /nfs/dbraw/zinc/68/04/13/1025680413.db2.gz VIQMCIXHLSUKJM-JLAWEPINSA-N 2 0 301.478 3.919 20 0 DHADRP CSc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)ccn1 ZINC000886543258 1025691179 /nfs/dbraw/zinc/69/11/79/1025691179.db2.gz MGYMBIOYNXIWPM-UHFFFAOYSA-N 2 0 319.518 3.690 20 0 DHADRP Cc1cnc([C@@H](C)C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886589765 1025728165 /nfs/dbraw/zinc/72/81/65/1025728165.db2.gz DZVYRYBHQYNIHF-NXVRBGIVSA-N 2 0 321.534 3.942 20 0 DHADRP COCC1(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000886615179 1025739307 /nfs/dbraw/zinc/73/93/07/1025739307.db2.gz AALFLFOUWWZMCM-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP CCCc1ncc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000886620497 1025742345 /nfs/dbraw/zinc/74/23/45/1025742345.db2.gz LGLBGTYPNROGKG-UHFFFAOYSA-N 2 0 305.466 3.514 20 0 DHADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc(C)n1 ZINC000886627245 1025746667 /nfs/dbraw/zinc/74/66/67/1025746667.db2.gz WYSHJCDHHXVGNM-UHFFFAOYSA-N 2 0 301.478 3.585 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000886638257 1025752900 /nfs/dbraw/zinc/75/29/00/1025752900.db2.gz PCUZPMGQIJFWIX-AJPWXKBRSA-N 2 0 314.473 3.766 20 0 DHADRP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000886645165 1025757737 /nfs/dbraw/zinc/75/77/37/1025757737.db2.gz SIWPYNRYUXRVHE-YSIASYRMSA-N 2 0 321.468 3.597 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806132553 1025777456 /nfs/dbraw/zinc/77/74/56/1025777456.db2.gz XOCHLVUZDLUOFX-INIZCTEOSA-N 2 0 321.896 3.824 20 0 DHADRP c1cc(CNC2CC([NH+]3CCCCC3)C2)cc(-c2ccncc2)c1 ZINC000355604589 1025786297 /nfs/dbraw/zinc/78/62/97/1025786297.db2.gz HJMDMLFFBLMLOO-UHFFFAOYSA-N 2 0 321.468 3.855 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806129719 1025795401 /nfs/dbraw/zinc/79/54/01/1025795401.db2.gz ILGQHJMRQABJRQ-MRXNPFEDSA-N 2 0 315.848 3.574 20 0 DHADRP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134942096 1025822811 /nfs/dbraw/zinc/82/28/11/1025822811.db2.gz HEALEJZYYKXYHG-XLIONFOSSA-N 2 0 314.473 3.534 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000076003208 1025859097 /nfs/dbraw/zinc/85/90/97/1025859097.db2.gz UMFJNFNNTYGCFC-QGZVFWFLSA-N 2 0 311.473 3.707 20 0 DHADRP Clc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167916595 1025885253 /nfs/dbraw/zinc/88/52/53/1025885253.db2.gz HWTXYLFENGVPLF-IZZQQSIFSA-N 2 0 318.892 3.940 20 0 DHADRP C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000663975162 1025914192 /nfs/dbraw/zinc/91/41/92/1025914192.db2.gz ZCAWZDXBGICWFY-MRXNPFEDSA-N 2 0 320.440 3.521 20 0 DHADRP CCCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(OC)cc1 ZINC000647784184 1025926868 /nfs/dbraw/zinc/92/68/68/1025926868.db2.gz LNLAWPVDPGSJTF-XFKSJGNHSA-N 2 0 316.489 3.904 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cc3cccc(OC)c3o2)CC1 ZINC000729682487 1025927871 /nfs/dbraw/zinc/92/78/71/1025927871.db2.gz VTEBOPFSLMIMET-UHFFFAOYSA-N 2 0 316.445 3.653 20 0 DHADRP Cc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000462522989 1025944334 /nfs/dbraw/zinc/94/43/34/1025944334.db2.gz GPWOXIQGGAQZEW-UYAOXDASSA-N 2 0 323.484 3.780 20 0 DHADRP C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293218412 1025967954 /nfs/dbraw/zinc/96/79/54/1025967954.db2.gz AIZGAVPEAOZYSY-YOEHRIQHSA-N 2 0 308.416 3.532 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000236880929 1025995385 /nfs/dbraw/zinc/99/53/85/1025995385.db2.gz HXBKLXBDNRECIL-UHFFFAOYSA-N 2 0 307.441 3.909 20 0 DHADRP C[C@H]1C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000356297217 1026009145 /nfs/dbraw/zinc/00/91/45/1026009145.db2.gz BKAHWKMOKQMFBQ-HKUYNNGSSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000089215523 1026040138 /nfs/dbraw/zinc/04/01/38/1026040138.db2.gz KUFRRPTVRMNYDC-AWEZNQCLSA-N 2 0 301.459 3.710 20 0 DHADRP Cc1ncccc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702904 1026136071 /nfs/dbraw/zinc/13/60/71/1026136071.db2.gz DMDTWDRBCBWJSI-UWJYYQICSA-N 2 0 323.484 3.875 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000391518401 1026198726 /nfs/dbraw/zinc/19/87/26/1026198726.db2.gz RFGZTRQJKDOGOP-LJQANCHMSA-N 2 0 309.457 3.701 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000356910851 1026224184 /nfs/dbraw/zinc/22/41/84/1026224184.db2.gz ZCEJBPFZYPQYTM-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000289985460 1026266097 /nfs/dbraw/zinc/26/60/97/1026266097.db2.gz YAKQOXOFJADZGV-HUUCEWRRSA-N 2 0 308.466 3.562 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1O ZINC000290017489 1026286957 /nfs/dbraw/zinc/28/69/57/1026286957.db2.gz ZVXCJAIDGDZITD-MRXNPFEDSA-N 2 0 320.477 3.564 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cnccc2C)CC1)CC1CC1 ZINC000357082868 1026306374 /nfs/dbraw/zinc/30/63/74/1026306374.db2.gz JVCKHONXSPGJKS-UHFFFAOYSA-N 2 0 315.505 3.724 20 0 DHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647796994 1026323319 /nfs/dbraw/zinc/32/33/19/1026323319.db2.gz TYUGPWDLWCNJAL-YDRHNJASSA-N 2 0 304.865 3.564 20 0 DHADRP Cc1ncoc1CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000894179390 1026328502 /nfs/dbraw/zinc/32/85/02/1026328502.db2.gz RJFMAOAQXODATG-OAHLLOKOSA-N 2 0 313.445 3.647 20 0 DHADRP C[NH+]1CCC(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000894196434 1026343533 /nfs/dbraw/zinc/34/35/33/1026343533.db2.gz UXDCCIZVLYOAKP-UHFFFAOYSA-N 2 0 310.844 3.599 20 0 DHADRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)c1 ZINC001167940265 1026425336 /nfs/dbraw/zinc/42/53/36/1026425336.db2.gz XANHSUDAMPKKLG-BJWYYQGGSA-N 2 0 316.514 3.835 20 0 DHADRP CC(C)C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C(C)C ZINC001204952765 1026439631 /nfs/dbraw/zinc/43/96/31/1026439631.db2.gz KEPXRLIXFRETDG-UHFFFAOYSA-N 2 0 324.553 3.739 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513359618 1026486165 /nfs/dbraw/zinc/48/61/65/1026486165.db2.gz OEYWGLFXWKCLLZ-KRWDZBQOSA-N 2 0 308.416 3.664 20 0 DHADRP Cc1ncccc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513506209 1026525808 /nfs/dbraw/zinc/52/58/08/1026525808.db2.gz PBPUBJDQTXUBSF-FXAWDEMLSA-N 2 0 323.484 3.780 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000513677916 1026557166 /nfs/dbraw/zinc/55/71/66/1026557166.db2.gz DWOVHQVNRHMSDC-SQNIBIBYSA-N 2 0 304.503 3.631 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000513664958 1026559328 /nfs/dbraw/zinc/55/93/28/1026559328.db2.gz AGVHDETYZHROJN-IKGGRYGDSA-N 2 0 300.471 3.864 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000809659861 1026583470 /nfs/dbraw/zinc/58/34/70/1026583470.db2.gz GVHBFVMLMQOMTC-DUXPYHPUSA-N 2 0 320.427 3.786 20 0 DHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280126594 1026600687 /nfs/dbraw/zinc/60/06/87/1026600687.db2.gz CBAYTMIUNPYFSM-VDHUWJSZSA-N 2 0 304.865 3.802 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647884064 1026647672 /nfs/dbraw/zinc/64/76/72/1026647672.db2.gz BDTXKXOLLYYHLB-SFHVURJKSA-N 2 0 302.462 3.612 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000280724853 1026701480 /nfs/dbraw/zinc/70/14/80/1026701480.db2.gz CMDLXPZVIIBPGV-MGPUTAFESA-N 2 0 323.484 3.928 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000513702904 1026707130 /nfs/dbraw/zinc/70/71/30/1026707130.db2.gz OKCUFQMJEKASAK-BZSNNMDCSA-N 2 0 306.881 3.735 20 0 DHADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1C(F)(F)F ZINC000420295959 1026794322 /nfs/dbraw/zinc/79/43/22/1026794322.db2.gz BGGRGICBOBEPJK-CYBMUJFWSA-N 2 0 300.368 3.527 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000420293841 1026796023 /nfs/dbraw/zinc/79/60/23/1026796023.db2.gz ANYZMVXBYXOHLE-FPOVZHCZSA-N 2 0 324.468 3.869 20 0 DHADRP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323174 1026796536 /nfs/dbraw/zinc/79/65/36/1026796536.db2.gz AYJWVECNKZBINU-SQNIBIBYSA-N 2 0 322.880 3.619 20 0 DHADRP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000420296898 1026796632 /nfs/dbraw/zinc/79/66/32/1026796632.db2.gz CLPQYHKEBDBRGV-SJORKVTESA-N 2 0 316.489 3.685 20 0 DHADRP FC(F)(F)c1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420297418 1026797715 /nfs/dbraw/zinc/79/77/15/1026797715.db2.gz DGYQRTKBDTVKPR-ZDUSSCGKSA-N 2 0 312.379 3.669 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000420297383 1026798095 /nfs/dbraw/zinc/79/80/95/1026798095.db2.gz DBYXRTYUOMKVEX-FUHWJXTLSA-N 2 0 316.470 3.636 20 0 DHADRP CC(C)c1csc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420310226 1026801008 /nfs/dbraw/zinc/80/10/08/1026801008.db2.gz FPVTZNISPYFSRE-JKSUJKDBSA-N 2 0 321.534 3.836 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cc1 ZINC000420302060 1026801554 /nfs/dbraw/zinc/80/15/54/1026801554.db2.gz LXEWDXQHJCYCTD-PWIZWCRZSA-N 2 0 324.468 3.616 20 0 DHADRP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000420317051 1026804557 /nfs/dbraw/zinc/80/45/57/1026804557.db2.gz UKRSWDOKMYDBHE-OAHLLOKOSA-N 2 0 310.869 3.701 20 0 DHADRP c1sc(C2CCCC2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335541 1026806396 /nfs/dbraw/zinc/80/63/96/1026806396.db2.gz VDHNWKBJZBKWOE-JKSUJKDBSA-N 2 0 319.518 3.622 20 0 DHADRP Fc1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)c(F)c1 ZINC000420327315 1026806463 /nfs/dbraw/zinc/80/64/63/1026806463.db2.gz YGNZCKXLTVQUTN-AWEZNQCLSA-N 2 0 308.416 3.709 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332222 1026806920 /nfs/dbraw/zinc/80/69/20/1026806920.db2.gz GJAGBVGVDXGETF-QZTJIDSGSA-N 2 0 304.865 3.791 20 0 DHADRP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420326761 1026807344 /nfs/dbraw/zinc/80/73/44/1026807344.db2.gz XPHBDTCEFIEGIB-VXGBXAGGSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420377628 1026808863 /nfs/dbraw/zinc/80/88/63/1026808863.db2.gz PVXRTQMLFVALTQ-XJKSGUPXSA-N 2 0 312.379 3.842 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420377627 1026809493 /nfs/dbraw/zinc/80/94/93/1026809493.db2.gz PVXRTQMLFVALTQ-CZUORRHYSA-N 2 0 312.379 3.842 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000420374588 1026809625 /nfs/dbraw/zinc/80/96/25/1026809625.db2.gz ODZRTADXTBFGFQ-OAHLLOKOSA-N 2 0 312.404 3.718 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000420385001 1026811214 /nfs/dbraw/zinc/81/12/14/1026811214.db2.gz FAPSOJKYHAVUAT-JXFKEZNVSA-N 2 0 309.457 3.507 20 0 DHADRP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)o1)CC1CC[NH+](C)CC1 ZINC000513741404 1026933015 /nfs/dbraw/zinc/93/30/15/1026933015.db2.gz MHQZVRDJJHBWOF-UHFFFAOYSA-N 2 0 316.420 3.859 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000421369155 1026966073 /nfs/dbraw/zinc/96/60/73/1026966073.db2.gz HMHQMSMSGPVJGS-UHFFFAOYSA-N 2 0 312.860 3.874 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc(C)n1 ZINC000421373723 1026968737 /nfs/dbraw/zinc/96/87/37/1026968737.db2.gz GWGATDMTMVFHFW-WIYYLYMNSA-N 2 0 323.484 3.841 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377389 1026970791 /nfs/dbraw/zinc/97/07/91/1026970791.db2.gz RKVXYFCXLUUPII-ODIFPOPNSA-N 2 0 300.446 3.826 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000421823215 1027057173 /nfs/dbraw/zinc/05/71/73/1027057173.db2.gz YWLKSPSAZOHDQH-CYBMUJFWSA-N 2 0 324.871 3.874 20 0 DHADRP CC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421816545 1027064567 /nfs/dbraw/zinc/06/45/67/1027064567.db2.gz QALSHPRUFKGFLL-GOSISDBHSA-N 2 0 308.441 3.605 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(F)c1 ZINC000421820246 1027066206 /nfs/dbraw/zinc/06/62/06/1027066206.db2.gz LNKKPDLSYLWSQS-IFXJQAMLSA-N 2 0 320.452 3.605 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000421849203 1027075163 /nfs/dbraw/zinc/07/51/63/1027075163.db2.gz BNCSMKVHZANSGT-CYBMUJFWSA-N 2 0 312.860 3.874 20 0 DHADRP Cn1cncc1CCC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000571892247 1027154246 /nfs/dbraw/zinc/15/42/46/1027154246.db2.gz FFUIEOWVOMQAFQ-QGZVFWFLSA-N 2 0 321.827 3.886 20 0 DHADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000271844172 1027160080 /nfs/dbraw/zinc/16/00/80/1027160080.db2.gz HKWLITJNKZOIPF-INIZCTEOSA-N 2 0 310.388 3.591 20 0 DHADRP CSC1(C[NH2+][C@@H](c2ccccc2)C(C)C)CC[NH+](C)CC1 ZINC000571963879 1027160436 /nfs/dbraw/zinc/16/04/36/1027160436.db2.gz UYYJKABUHPDXDO-QGZVFWFLSA-N 2 0 306.519 3.801 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000271854327 1027163568 /nfs/dbraw/zinc/16/35/68/1027163568.db2.gz IZZSIODGKBTNFF-ZIAGYGMSSA-N 2 0 315.486 3.640 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000271854317 1027165347 /nfs/dbraw/zinc/16/53/47/1027165347.db2.gz IZZSIODGKBTNFF-KBPBESRZSA-N 2 0 315.486 3.640 20 0 DHADRP CC(C)C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)CC1CC[NH+](C)CC1 ZINC000931566244 1027171025 /nfs/dbraw/zinc/17/10/25/1027171025.db2.gz VQCWNUNEBDVODB-BJWYYQGGSA-N 2 0 314.464 3.578 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170660178 1027177194 /nfs/dbraw/zinc/17/71/94/1027177194.db2.gz UFVGFAXQBVSJIV-MRXNPFEDSA-N 2 0 310.432 3.534 20 0 DHADRP COc1ccc(F)c(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000572307021 1027190907 /nfs/dbraw/zinc/19/09/07/1027190907.db2.gz ZISBJGWWMBAFSN-IYBDPMFKSA-N 2 0 322.468 3.682 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1)CC(C)(C)CC[NH3+] ZINC001170665622 1027191050 /nfs/dbraw/zinc/19/10/50/1027191050.db2.gz AGOJYZHQNPBXCC-CJNGLKHVSA-N 2 0 324.459 3.813 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000562089471 1027229931 /nfs/dbraw/zinc/22/99/31/1027229931.db2.gz ANUHEDXMGPCGRH-NLWGTHIKSA-N 2 0 323.569 3.740 20 0 DHADRP c1cc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000572801337 1027231895 /nfs/dbraw/zinc/23/18/95/1027231895.db2.gz HMQGKYLRHXSQHP-HXUWFJFHSA-N 2 0 315.505 3.602 20 0 DHADRP Cc1nccn1C[C@H](C)CN[C@H](C)C(F)(F)c1ccccc1 ZINC000924948898 1027242491 /nfs/dbraw/zinc/24/24/91/1027242491.db2.gz FFZSIHHCKAUFML-ZIAGYGMSSA-N 2 0 307.388 3.598 20 0 DHADRP C[C@@H]1C[C@@H](C)N(Cc2cnc(-c3cccs3)s2)C[C@H]1C[NH3+] ZINC000422565405 1027286820 /nfs/dbraw/zinc/28/68/20/1027286820.db2.gz YXUUSIVBZVGWBU-JHJVBQTASA-N 2 0 321.515 3.677 20 0 DHADRP CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422703760 1027296147 /nfs/dbraw/zinc/29/61/47/1027296147.db2.gz ILNYCGXBXGUWTH-JTTJXQCZSA-N 2 0 322.468 3.726 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCCCc1ccccc1 ZINC000422708761 1027296818 /nfs/dbraw/zinc/29/68/18/1027296818.db2.gz YDJZYQBXUHFFPE-MRXNPFEDSA-N 2 0 311.473 3.912 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422707123 1027296872 /nfs/dbraw/zinc/29/68/72/1027296872.db2.gz VSQITINDBRXQPT-OKZBNKHCSA-N 2 0 318.892 3.882 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c21 ZINC000422711808 1027300182 /nfs/dbraw/zinc/30/01/82/1027300182.db2.gz HKNFNXTXVDWYOZ-KSZLIROESA-N 2 0 311.473 3.529 20 0 DHADRP c1ccc(OCc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000422727742 1027307446 /nfs/dbraw/zinc/30/74/46/1027307446.db2.gz DHJKSQDBXDWKMA-YOFSQIOKSA-N 2 0 322.452 3.638 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422746590 1027309783 /nfs/dbraw/zinc/30/97/83/1027309783.db2.gz ZXZXHYORLIEOQV-IRXDYDNUSA-N 2 0 320.358 3.982 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000422739926 1027310568 /nfs/dbraw/zinc/31/05/68/1027310568.db2.gz ASRRMVQYGRZNRM-ZYHUDNBSSA-N 2 0 305.372 3.539 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000422742476 1027310895 /nfs/dbraw/zinc/31/08/95/1027310895.db2.gz PWVNYUHTZRWEJK-ROUUACIJSA-N 2 0 324.896 3.915 20 0 DHADRP COc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422741325 1027311872 /nfs/dbraw/zinc/31/18/72/1027311872.db2.gz POKDUQNBNPHXFT-HSALFYBXSA-N 2 0 316.489 3.528 20 0 DHADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422742601 1027312403 /nfs/dbraw/zinc/31/24/03/1027312403.db2.gz RWMNMFVWLXQGHH-GBESFXJTSA-N 2 0 316.489 3.732 20 0 DHADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422771817 1027315178 /nfs/dbraw/zinc/31/51/78/1027315178.db2.gz RNNFIVCEYAPUKG-KZNAEPCWSA-N 2 0 304.503 3.597 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000422772393 1027315568 /nfs/dbraw/zinc/31/55/68/1027315568.db2.gz YGTQWVMSXYLZHE-HNNXBMFYSA-N 2 0 322.456 3.544 20 0 DHADRP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422757112 1027315815 /nfs/dbraw/zinc/31/58/15/1027315815.db2.gz JMHCEZBPVAPOPU-KURKYZTESA-N 2 0 322.493 3.818 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422780222 1027317902 /nfs/dbraw/zinc/31/79/02/1027317902.db2.gz JXUCTLWYACZWGG-UONOGXRCSA-N 2 0 313.445 3.659 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422781373 1027318038 /nfs/dbraw/zinc/31/80/38/1027318038.db2.gz ISQMVFWRWMBVSU-CYBMUJFWSA-N 2 0 320.383 3.974 20 0 DHADRP c1ccc2nc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422777260 1027318330 /nfs/dbraw/zinc/31/83/30/1027318330.db2.gz FFSWUTQTVRYVEF-HLAWJBBLSA-N 2 0 323.484 3.678 20 0 DHADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422779434 1027319357 /nfs/dbraw/zinc/31/93/57/1027319357.db2.gz ISMANSMAFYPVBZ-BPQIPLTHSA-N 2 0 306.881 3.783 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422779335 1027319424 /nfs/dbraw/zinc/31/94/24/1027319424.db2.gz FXFJCUSMBBFEAL-OLZOCXBDSA-N 2 0 320.383 3.973 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2ccccc2n1 ZINC000422780071 1027320529 /nfs/dbraw/zinc/32/05/29/1027320529.db2.gz JSZFEYPSNMKKLU-APWZRJJASA-N 2 0 311.473 3.678 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1csc2ccccc12 ZINC000422765098 1027322110 /nfs/dbraw/zinc/32/21/10/1027322110.db2.gz QELXIECUEDRSLQ-LBPRGKRZSA-N 2 0 311.454 3.914 20 0 DHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422785321 1027323564 /nfs/dbraw/zinc/32/35/64/1027323564.db2.gz QVDPVKVGJOVGBX-GJZGRUSLSA-N 2 0 310.441 3.621 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000422764791 1027323594 /nfs/dbraw/zinc/32/35/94/1027323594.db2.gz QIGWNWRJQTVJQD-STQMWFEESA-N 2 0 318.383 3.580 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2ccncc2)cc1 ZINC000422804197 1027326654 /nfs/dbraw/zinc/32/66/54/1027326654.db2.gz DVGPMCDFIPENRV-WFZIFLONSA-N 2 0 307.441 3.682 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422799254 1027327417 /nfs/dbraw/zinc/32/74/17/1027327417.db2.gz VXVYXPYYGXHKAW-NJDAHSKKSA-N 2 0 324.468 3.859 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]C3CCC([NH3+])CC3)oc21 ZINC000422791837 1027333002 /nfs/dbraw/zinc/33/30/02/1027333002.db2.gz VHYNOSKQVHFKLO-GRTSSRMGSA-N 2 0 302.418 3.752 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422832942 1027334762 /nfs/dbraw/zinc/33/47/62/1027334762.db2.gz LUYTUUPGDPDXIP-IYWMVGAKSA-N 2 0 315.505 3.722 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422819930 1027335868 /nfs/dbraw/zinc/33/58/68/1027335868.db2.gz OKHJTXWTQYUKCM-YIDVYQOGSA-N 2 0 318.427 3.865 20 0 DHADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422838030 1027338358 /nfs/dbraw/zinc/33/83/58/1027338358.db2.gz NPWPRYZCUZGBMD-RRQGHBQHSA-N 2 0 307.507 3.564 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000422835422 1027339048 /nfs/dbraw/zinc/33/90/48/1027339048.db2.gz IVFAOEGURPMWET-UONOGXRCSA-N 2 0 301.261 3.740 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccccc1F ZINC000422848788 1027340760 /nfs/dbraw/zinc/34/07/60/1027340760.db2.gz KKUXLUAFTTVSOI-KXBFYZLASA-N 2 0 314.448 3.651 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422867160 1027341940 /nfs/dbraw/zinc/34/19/40/1027341940.db2.gz RRHAQUPGMXPLBI-QGZVFWFLSA-N 2 0 312.457 3.620 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422865225 1027342239 /nfs/dbraw/zinc/34/22/39/1027342239.db2.gz OMYRNWWYKPYYSV-FGTMMUONSA-N 2 0 322.493 3.699 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422860207 1027342957 /nfs/dbraw/zinc/34/29/57/1027342957.db2.gz KZZLVAMOBGEVBE-ZWKOTPCHSA-N 3 0 317.521 3.668 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422858375 1027343131 /nfs/dbraw/zinc/34/31/31/1027343131.db2.gz ZWQQWPILZCGLIE-UYJHQMFVSA-N 2 0 318.427 3.865 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422857300 1027344121 /nfs/dbraw/zinc/34/41/21/1027344121.db2.gz GSFLJMYLBRRNBN-WMZOPIPTSA-N 2 0 304.478 3.904 20 0 DHADRP c1[nH]c2ccccc2c1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422884168 1027349063 /nfs/dbraw/zinc/34/90/63/1027349063.db2.gz DLWXJLPWZPXVQU-SXLOBPIMSA-N 2 0 311.473 3.611 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422883487 1027349481 /nfs/dbraw/zinc/34/94/81/1027349481.db2.gz CIBADGFUUUIWNO-DYVFJYSZSA-N 2 0 303.837 3.541 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422884866 1027349754 /nfs/dbraw/zinc/34/97/54/1027349754.db2.gz XUABQKCFOMSAFF-KKUMJFAQSA-N 2 0 320.477 3.793 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422889377 1027350436 /nfs/dbraw/zinc/35/04/36/1027350436.db2.gz GDYQFGCBIZPMML-LAUBAEHRSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422885527 1027351931 /nfs/dbraw/zinc/35/19/31/1027351931.db2.gz GXCUOHLLHGLMMD-CQSZACIVSA-N 2 0 322.456 3.613 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000422902590 1027353304 /nfs/dbraw/zinc/35/33/04/1027353304.db2.gz NBWPSTNODAJXNF-GXFFZTMASA-N 2 0 317.260 3.924 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422869602 1027353374 /nfs/dbraw/zinc/35/33/74/1027353374.db2.gz XQAQXPZFWJOLBE-RYUDHWBXSA-N 2 0 315.442 3.772 20 0 DHADRP CCCCOc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422899124 1027355825 /nfs/dbraw/zinc/35/58/25/1027355825.db2.gz NWIGGEHGYCESIL-UHFFFAOYSA-N 2 0 304.478 3.515 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924958673 1027357999 /nfs/dbraw/zinc/35/79/99/1027357999.db2.gz FZEQKFOHIISZAE-IEBWSBKVSA-N 2 0 317.521 3.519 20 0 DHADRP Cc1ccccc1C1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422906611 1027358510 /nfs/dbraw/zinc/35/85/10/1027358510.db2.gz VMSNVVDXDGJMFK-XLIONFOSSA-N 2 0 308.469 3.575 20 0 DHADRP c1ccc([C@H]2C[C@@H]([NH2+]Cc3cnc4ccccc4c3)CCN2)cc1 ZINC000422912568 1027358862 /nfs/dbraw/zinc/35/88/62/1027358862.db2.gz NIHTZXDCQXOVCU-PZJWPPBQSA-N 2 0 317.436 3.818 20 0 DHADRP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422915314 1027359493 /nfs/dbraw/zinc/35/94/93/1027359493.db2.gz ASULVSQBSMEHCS-JKSUJKDBSA-N 2 0 311.473 3.747 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000422916856 1027360461 /nfs/dbraw/zinc/36/04/61/1027360461.db2.gz BSDTWMSXKJWQIK-CQSZACIVSA-N 2 0 305.425 3.853 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422892983 1027361306 /nfs/dbraw/zinc/36/13/06/1027361306.db2.gz ZZKCICKZSWSMSM-JXFKEZNVSA-N 2 0 312.457 3.586 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422923409 1027361407 /nfs/dbraw/zinc/36/14/07/1027361407.db2.gz RXZZEDOEEXZIFO-UWVAXJGDSA-N 2 0 315.505 3.861 20 0 DHADRP C1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000422922954 1027361564 /nfs/dbraw/zinc/36/15/64/1027361564.db2.gz UUKRZCBFAOIIEM-OTWHNJEPSA-N 2 0 320.521 3.626 20 0 DHADRP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000422929005 1027364984 /nfs/dbraw/zinc/36/49/84/1027364984.db2.gz NWMFYWSFGNOAGT-TYCQWZJGSA-N 2 0 324.468 3.504 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422942987 1027367627 /nfs/dbraw/zinc/36/76/27/1027367627.db2.gz LBTHZISHANMNSK-ZWFQBJTASA-N 2 0 318.464 3.753 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422946495 1027375520 /nfs/dbraw/zinc/37/55/20/1027375520.db2.gz OXEXLYZYOPJYEZ-SMDDNHRTSA-N 2 0 301.261 3.514 20 0 DHADRP c1ccc(C2([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422944538 1027376999 /nfs/dbraw/zinc/37/69/99/1027376999.db2.gz ZWMPYZKLDSQYTC-ICSRJNTNSA-N 2 0 320.436 3.521 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@H](COc2ccccc2)c2ccccc2)CC1 ZINC000422951754 1027379856 /nfs/dbraw/zinc/37/98/56/1027379856.db2.gz AAWSZDFKLBCZTR-CNBHCMJISA-N 2 0 324.468 3.914 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCc2ccncc2)CC1 ZINC000362775285 1027380248 /nfs/dbraw/zinc/38/02/48/1027380248.db2.gz OVNXNQQHLYMBHV-NRFANRHFSA-N 2 0 323.484 3.611 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006588 1027391427 /nfs/dbraw/zinc/39/14/27/1027391427.db2.gz VZAITAHFTWIFRE-MOPGFXCFSA-N 2 0 314.404 3.630 20 0 DHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C2CCCCC2)CCCCC1 ZINC000423023340 1027393981 /nfs/dbraw/zinc/39/39/81/1027393981.db2.gz JPAPORCNLXKINI-YTQUADARSA-N 2 0 322.537 3.859 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000422995703 1027394308 /nfs/dbraw/zinc/39/43/08/1027394308.db2.gz YWAQTBIVRHRWMX-AUUYWEPGSA-N 2 0 309.457 3.922 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000423029267 1027396530 /nfs/dbraw/zinc/39/65/30/1027396530.db2.gz HXPVOBKQQZSBPE-BBRMVZONSA-N 2 0 316.848 3.520 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423025029 1027397059 /nfs/dbraw/zinc/39/70/59/1027397059.db2.gz NFWAYZJXNYFARW-BXUZGUMPSA-N 2 0 306.347 3.926 20 0 DHADRP C[C@@H]1C[C@H](C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[NH2+]1 ZINC000574501438 1027397436 /nfs/dbraw/zinc/39/74/36/1027397436.db2.gz IDDVXQBYRYOCIT-ZIAGYGMSSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423024791 1027398570 /nfs/dbraw/zinc/39/85/70/1027398570.db2.gz MPDIJIPIGFVWDR-JHJVBQTASA-N 2 0 302.384 3.914 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423033207 1027398593 /nfs/dbraw/zinc/39/85/93/1027398593.db2.gz ZEGLZSHIXWESPT-RVMXOQNASA-N 2 0 302.384 3.913 20 0 DHADRP Fc1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423045586 1027401240 /nfs/dbraw/zinc/40/12/40/1027401240.db2.gz CHCMEOFSTBTVIU-IPELMVKDSA-N 2 0 322.443 3.798 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423062992 1027404010 /nfs/dbraw/zinc/40/40/10/1027404010.db2.gz VHXJCFLWMXLFSE-NSHDSACASA-N 2 0 318.358 3.593 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423063346 1027404194 /nfs/dbraw/zinc/40/41/94/1027404194.db2.gz WCEUKYCOSSKHHC-FGTMMUONSA-N 2 0 304.503 3.560 20 0 DHADRP CC1(C)CCC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423063031 1027404765 /nfs/dbraw/zinc/40/47/65/1027404765.db2.gz VIRTXQGXWIJNGE-XAUMDUMWSA-N 2 0 314.473 3.801 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170686378 1027405038 /nfs/dbraw/zinc/40/50/38/1027405038.db2.gz YYSQVGBPAVQZKQ-IMRCBTMISA-N 2 0 322.443 3.532 20 0 DHADRP C1C[NH2+][C@@H]([C@@H]2COCC[C@H]2[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000423074487 1027408306 /nfs/dbraw/zinc/40/83/06/1027408306.db2.gz UUUMSIFDNYEMOX-IPMKNSEASA-N 2 0 320.521 3.626 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423072619 1027408560 /nfs/dbraw/zinc/40/85/60/1027408560.db2.gz PWGAWCUFGDBNGL-LBPRGKRZSA-N 2 0 302.384 3.700 20 0 DHADRP CCCNc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423079374 1027410946 /nfs/dbraw/zinc/41/09/46/1027410946.db2.gz YFNMRWXUMSZEPB-OXJNMPFZSA-N 2 0 311.473 3.557 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096947 1027414159 /nfs/dbraw/zinc/41/41/59/1027414159.db2.gz QCPGJTGYJNLFCZ-XBOHUIDSSA-N 2 0 310.844 3.774 20 0 DHADRP Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423097683 1027414627 /nfs/dbraw/zinc/41/46/27/1027414627.db2.gz RCQYGQMIOHBONX-QXAKKESOSA-N 2 0 304.453 3.659 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423118177 1027417587 /nfs/dbraw/zinc/41/75/87/1027417587.db2.gz ZDSBOSBINOIGPC-LAQRGFTBSA-N 2 0 320.452 3.591 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000423117274 1027418248 /nfs/dbraw/zinc/41/82/48/1027418248.db2.gz UPQQFQHQNDSRNL-ICSRJNTNSA-N 2 0 323.415 3.974 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423100317 1027418427 /nfs/dbraw/zinc/41/84/27/1027418427.db2.gz MOCHNDYIXCHAHO-ZEXAPNKDSA-N 2 0 308.469 3.655 20 0 DHADRP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423127999 1027421523 /nfs/dbraw/zinc/42/15/23/1027421523.db2.gz CTVQPVILNUTEHP-IXDOHACOSA-N 2 0 308.416 3.809 20 0 DHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC000423128945 1027425559 /nfs/dbraw/zinc/42/55/59/1027425559.db2.gz LKEQDTVABXAMRV-CWFSZBLJSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423114063 1027428067 /nfs/dbraw/zinc/42/80/67/1027428067.db2.gz LFAJQIYBTWQGHP-JRPNMDOOSA-N 2 0 300.368 3.872 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000423149186 1027432184 /nfs/dbraw/zinc/43/21/84/1027432184.db2.gz XKZFXAUQBAXSKC-OWCLPIDISA-N 2 0 304.503 3.776 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423149648 1027432292 /nfs/dbraw/zinc/43/22/92/1027432292.db2.gz ASELIRINEWWMCH-WCQMXNECSA-N 2 0 323.278 3.569 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423149646 1027432588 /nfs/dbraw/zinc/43/25/88/1027432588.db2.gz ASELIRINEWWMCH-AIROSISHSA-N 2 0 323.278 3.569 20 0 DHADRP c1c2ccccc2sc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423138103 1027434930 /nfs/dbraw/zinc/43/49/30/1027434930.db2.gz SBSGBGWDKVKWFU-RCCFBDPRSA-N 2 0 314.498 3.954 20 0 DHADRP COc1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1Cl ZINC000423140488 1027435657 /nfs/dbraw/zinc/43/56/57/1027435657.db2.gz YQQLVHPRWSYWAK-IAGOWNOFSA-N 2 0 316.832 3.626 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423135987 1027435685 /nfs/dbraw/zinc/43/56/85/1027435685.db2.gz OULGYLUUBJRHNL-RCOXNQKVSA-N 2 0 308.469 3.728 20 0 DHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423169220 1027438300 /nfs/dbraw/zinc/43/83/00/1027438300.db2.gz VRVIYJJAVGIFCX-KTALTATCSA-N 2 0 304.865 3.849 20 0 DHADRP [NH3+]CCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423184745 1027438566 /nfs/dbraw/zinc/43/85/66/1027438566.db2.gz IOKDKLJSPSPXPG-CABCVRRESA-N 2 0 300.368 3.670 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423182353 1027445186 /nfs/dbraw/zinc/44/51/86/1027445186.db2.gz LPLBSECRKXTXFP-WCZJQEMASA-N 2 0 306.881 3.954 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423207008 1027446363 /nfs/dbraw/zinc/44/63/63/1027446363.db2.gz GKCINUFDYNZEPC-BQFCYCMXSA-N 2 0 306.881 3.640 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000423211923 1027449892 /nfs/dbraw/zinc/44/98/92/1027449892.db2.gz HWFLJELJZSJBGF-HZSPNIEDSA-N 2 0 312.404 3.635 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423213075 1027450155 /nfs/dbraw/zinc/45/01/55/1027450155.db2.gz MVHDSAOLDIIJKI-BBRMVZONSA-N 2 0 314.395 3.992 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423198055 1027452387 /nfs/dbraw/zinc/45/23/87/1027452387.db2.gz CRIAHDCDYSIIOR-ZFWWWQNUSA-N 2 0 300.368 3.541 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423206516 1027456540 /nfs/dbraw/zinc/45/65/40/1027456540.db2.gz FYYDTUSFTCHICS-HKUYNNGSSA-N 2 0 324.468 3.916 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423217164 1027458820 /nfs/dbraw/zinc/45/88/20/1027458820.db2.gz PJYMZZZTAYKCGG-FEPKRQSRSA-N 2 0 303.475 3.648 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423220872 1027461931 /nfs/dbraw/zinc/46/19/31/1027461931.db2.gz WCGLSAYETUQUGW-PMPSAXMXSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423232119 1027469503 /nfs/dbraw/zinc/46/95/03/1027469503.db2.gz MLVPEZRNSGWTOF-NWDGAFQWSA-N 2 0 308.372 3.829 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423257245 1027477373 /nfs/dbraw/zinc/47/73/73/1027477373.db2.gz IIFMBTPDRXVFBA-OLZOCXBDSA-N 2 0 300.368 3.746 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423256331 1027479302 /nfs/dbraw/zinc/47/93/02/1027479302.db2.gz DZWJYNUTFUIZQB-CHWSQXEVSA-N 2 0 300.368 3.746 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423255298 1027479461 /nfs/dbraw/zinc/47/94/61/1027479461.db2.gz BONCRCFJUPHRKN-UTKZUKDTSA-N 2 0 324.468 3.764 20 0 DHADRP Cc1c([C@@H](C)N[C@H](C[NH3+])C2CCCCC2)cnn1C(C)(C)C ZINC000423258307 1027479848 /nfs/dbraw/zinc/47/98/48/1027479848.db2.gz BGOXTLPZCMHICV-CXAGYDPISA-N 2 0 306.498 3.505 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423284651 1027482919 /nfs/dbraw/zinc/48/29/19/1027482919.db2.gz YQNYFFBUIQFRLP-ABAIWWIYSA-N 2 0 300.368 3.602 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000423290702 1027485414 /nfs/dbraw/zinc/48/54/14/1027485414.db2.gz FCFZJGOAUPBDDK-KGLIPLIRSA-N 2 0 315.436 3.762 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423293603 1027486813 /nfs/dbraw/zinc/48/68/13/1027486813.db2.gz AGJAAGPUBDTDOH-STQMWFEESA-N 2 0 303.475 3.672 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423268977 1027489128 /nfs/dbraw/zinc/48/91/28/1027489128.db2.gz GRSVPOSHPBVMJD-RIOIIYTLSA-N 2 0 304.478 3.536 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCCC[C@H]3C[NH3+])oc21 ZINC000423269327 1027490293 /nfs/dbraw/zinc/49/02/93/1027490293.db2.gz FKXXYXWDSNTJAE-AEGPPILISA-N 2 0 302.418 3.610 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423278827 1027492309 /nfs/dbraw/zinc/49/23/09/1027492309.db2.gz RQAINQHZYRGQKI-RISCZKNCSA-N 2 0 320.424 3.555 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423276935 1027492139 /nfs/dbraw/zinc/49/21/39/1027492139.db2.gz NPSHJMADUSLRDL-XNRPHZJLSA-N 2 0 314.395 3.744 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423275818 1027493620 /nfs/dbraw/zinc/49/36/20/1027493620.db2.gz NOYKVTLWMAUXKZ-BJJXKVORSA-N 2 0 314.395 3.787 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310385 1027496961 /nfs/dbraw/zinc/49/69/61/1027496961.db2.gz AEVXOIHCLWRJJU-GJZGRUSLSA-N 2 0 300.368 3.729 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423318653 1027500685 /nfs/dbraw/zinc/50/06/85/1027500685.db2.gz CSUIBNVHAZRCHK-CQSZACIVSA-N 2 0 315.486 3.850 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000423295316 1027501910 /nfs/dbraw/zinc/50/19/10/1027501910.db2.gz WLNIHMZGIMLGCY-OLZOCXBDSA-N 2 0 302.393 3.705 20 0 DHADRP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423294959 1027502000 /nfs/dbraw/zinc/50/20/00/1027502000.db2.gz VVLAFAHWQWKWTG-ZIAGYGMSSA-N 2 0 314.429 3.574 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423347953 1027506343 /nfs/dbraw/zinc/50/63/43/1027506343.db2.gz RKTBLGTXPIVELV-SJORKVTESA-N 2 0 324.390 3.851 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303853 1027507300 /nfs/dbraw/zinc/50/73/00/1027507300.db2.gz MRIQRCSRXBXDHH-JKSUJKDBSA-N 2 0 312.379 3.541 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2cccc(Br)c21 ZINC000423329862 1027511776 /nfs/dbraw/zinc/51/17/76/1027511776.db2.gz BOIMQYYGOPRICY-IAQYHMDHSA-N 2 0 321.262 3.507 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423334718 1027515129 /nfs/dbraw/zinc/51/51/29/1027515129.db2.gz RCIODUBLWLCNHN-OXQOHEQNSA-N 2 0 309.457 3.789 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423334377 1027515413 /nfs/dbraw/zinc/51/54/13/1027515413.db2.gz IGYHQPLHXXZWDB-BCUIYNNISA-N 2 0 312.910 3.873 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1F ZINC000423355875 1027519789 /nfs/dbraw/zinc/51/97/89/1027519789.db2.gz ITXMUQFWWOWWJK-SFHVURJKSA-N 2 0 302.368 3.809 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C2CC2)cc1 ZINC000423368896 1027523302 /nfs/dbraw/zinc/52/33/02/1027523302.db2.gz DMCATNXCEBJMCT-OAQYLSRUSA-N 2 0 306.453 3.709 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1=CC[NH2+]CC1 ZINC000423364949 1027524919 /nfs/dbraw/zinc/52/49/19/1027524919.db2.gz ZJPAXRAKFGKOBK-OAHLLOKOSA-N 2 0 311.473 3.733 20 0 DHADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423384681 1027526552 /nfs/dbraw/zinc/52/65/52/1027526552.db2.gz GGHDSJCYAULUDI-RCBQFDQVSA-N 2 0 314.395 3.990 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)sc1Br ZINC000423379902 1027527645 /nfs/dbraw/zinc/52/76/45/1027527645.db2.gz MGODIIYNZKXCIK-OUAUKWLOSA-N 2 0 317.296 3.610 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1Br ZINC000423422147 1027538897 /nfs/dbraw/zinc/53/88/97/1027538897.db2.gz CYDVAEQTGDRDBK-WDEREUQCSA-N 2 0 317.246 3.756 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2cccc(Br)c21 ZINC000423386483 1027531715 /nfs/dbraw/zinc/53/17/15/1027531715.db2.gz HGLDMVGRRSUPKQ-FIXIBIHLSA-N 2 0 323.278 3.585 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423390621 1027532076 /nfs/dbraw/zinc/53/20/76/1027532076.db2.gz OZXCMBBFXDTAAK-ZUOKHONESA-N 2 0 310.416 3.842 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423389283 1027532254 /nfs/dbraw/zinc/53/22/54/1027532254.db2.gz JFTMKWUNGVXBDU-CDHQVMDDSA-N 2 0 312.432 3.697 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423393911 1027534181 /nfs/dbraw/zinc/53/41/81/1027534181.db2.gz MJUFQLNFJBXFHW-XFBWCDHKSA-N 2 0 312.379 3.744 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CCCO2 ZINC000423421260 1027536750 /nfs/dbraw/zinc/53/67/50/1027536750.db2.gz JXHUDKFZOUTJPR-JFIYKMOQSA-N 2 0 302.462 3.563 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000423425470 1027538390 /nfs/dbraw/zinc/53/83/90/1027538390.db2.gz GUEILLHRDRLXGB-SCLBCKFNSA-N 2 0 319.399 3.556 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000423405174 1027538414 /nfs/dbraw/zinc/53/84/14/1027538414.db2.gz ZPVUVMIYCDSOQB-OIISXLGYSA-N 2 0 320.477 3.665 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000423493473 1027573825 /nfs/dbraw/zinc/57/38/25/1027573825.db2.gz QCVZDPUQPSAEAZ-UGFHNGPFSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000363158792 1027541439 /nfs/dbraw/zinc/54/14/39/1027541439.db2.gz FLANYHRZFGVSKN-SFHVURJKSA-N 2 0 315.486 3.762 20 0 DHADRP Clc1cccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)c1 ZINC000423442608 1027544302 /nfs/dbraw/zinc/54/43/02/1027544302.db2.gz VCVGNYOBDHSNMV-DSLXNQLJSA-N 2 0 318.892 3.954 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423451114 1027546136 /nfs/dbraw/zinc/54/61/36/1027546136.db2.gz XVAVYCKIQUPUAD-BHYGNILZSA-N 2 0 320.864 3.531 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423450067 1027546883 /nfs/dbraw/zinc/54/68/83/1027546883.db2.gz HCUVMSCVKRZHKK-NHYWBVRUSA-N 2 0 311.267 3.617 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423450705 1027547161 /nfs/dbraw/zinc/54/71/61/1027547161.db2.gz XKJZDFUBZKXBKO-XFBWCDHKSA-N 2 0 312.379 3.744 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423451240 1027547570 /nfs/dbraw/zinc/54/75/70/1027547570.db2.gz IGBWPAXTPWJYGU-SMDDNHRTSA-N 2 0 304.356 3.753 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1F ZINC000423430849 1027547677 /nfs/dbraw/zinc/54/76/77/1027547677.db2.gz URELZESFRNMLLO-IHRRRGAJSA-N 2 0 310.482 3.963 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423453577 1027547952 /nfs/dbraw/zinc/54/79/52/1027547952.db2.gz ARXQVZUVVYCCRS-OBJOEFQTSA-N 2 0 316.367 3.753 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000423462336 1027555298 /nfs/dbraw/zinc/55/52/98/1027555298.db2.gz DOSYPLOEFBSUGU-BJJXKVORSA-N 2 0 308.853 3.661 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Br ZINC000423465396 1027555685 /nfs/dbraw/zinc/55/56/85/1027555685.db2.gz RQGJLRXCSIOTPG-AVGNSLFASA-N 2 0 311.267 3.617 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423482589 1027556137 /nfs/dbraw/zinc/55/61/37/1027556137.db2.gz YELUDBVFHAGIFY-OFQRWUPVSA-N 2 0 315.486 3.978 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423471809 1027557200 /nfs/dbraw/zinc/55/72/00/1027557200.db2.gz ZTMHPKNGAZXCFC-OCCSQVGLSA-N 2 0 300.899 3.928 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423471406 1027557826 /nfs/dbraw/zinc/55/78/26/1027557826.db2.gz FECPEKHWPWUDJK-DOMZBBRYSA-N 2 0 311.267 3.632 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423478644 1027561403 /nfs/dbraw/zinc/56/14/03/1027561403.db2.gz UIEABHDSVXKUTM-KMFMINBZSA-N 2 0 322.880 3.969 20 0 DHADRP COc1ccc([C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423480824 1027563199 /nfs/dbraw/zinc/56/31/99/1027563199.db2.gz NNWWVZPSVFSNFC-FPOVZHCZSA-N 2 0 324.468 3.906 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cs2)cs1 ZINC000423454240 1027564789 /nfs/dbraw/zinc/56/47/89/1027564789.db2.gz LKQCZZCBBJBDEW-MNOVXSKESA-N 2 0 309.504 3.958 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000423507485 1027567076 /nfs/dbraw/zinc/56/70/76/1027567076.db2.gz MXFZJYNEZPMGII-MOXGXCLJSA-N 2 0 312.432 3.827 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000423507487 1027568334 /nfs/dbraw/zinc/56/83/34/1027568334.db2.gz MXFZJYNEZPMGII-ZTNFWEORSA-N 2 0 312.432 3.827 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423485594 1027570866 /nfs/dbraw/zinc/57/08/66/1027570866.db2.gz AZYDLKRIAILVRE-ZMSDIMECSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423514987 1027577428 /nfs/dbraw/zinc/57/74/28/1027577428.db2.gz SMEQAPRDLAIPAS-OAGGEKHMSA-N 2 0 313.489 3.941 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423514329 1027577952 /nfs/dbraw/zinc/57/79/52/1027577952.db2.gz WHCLQIGJQDTCBY-OALUTQOASA-N 2 0 310.441 3.752 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423537447 1027583927 /nfs/dbraw/zinc/58/39/27/1027583927.db2.gz DBHZINGIWXKOFR-ASKKUZCQSA-N 2 0 323.484 3.831 20 0 DHADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000576269210 1027592763 /nfs/dbraw/zinc/59/27/63/1027592763.db2.gz IARKCBZGRNBNTD-YSTOQKLRSA-N 2 0 313.489 3.547 20 0 DHADRP Clc1ccc2c(n1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000296415738 1027632002 /nfs/dbraw/zinc/63/20/02/1027632002.db2.gz LDRQJOAOCIAEDZ-INIZCTEOSA-N 2 0 319.880 3.576 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCO2 ZINC000363546421 1027669378 /nfs/dbraw/zinc/66/93/78/1027669378.db2.gz RMYGSFCLQPQIHA-ZHALLVOQSA-N 2 0 314.473 3.734 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]CCc2cccc(Cl)c2F)CC1 ZINC001258007866 1027670493 /nfs/dbraw/zinc/67/04/93/1027670493.db2.gz VQBMUIGNZNQNAH-UHFFFAOYSA-N 2 0 312.860 3.732 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000576907534 1027677480 /nfs/dbraw/zinc/67/74/80/1027677480.db2.gz KCYZVVCJEJEJHH-AWEZNQCLSA-N 2 0 310.844 3.643 20 0 DHADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000577500650 1027795282 /nfs/dbraw/zinc/79/52/82/1027795282.db2.gz GOBRZNLHOZGOTN-SLFFLAALSA-N 2 0 316.489 3.622 20 0 DHADRP C/C(=C/c1ccccc1OC(F)F)CN1CC[C@H](C[NH+](C)C)C1 ZINC000562912010 1027797438 /nfs/dbraw/zinc/79/74/38/1027797438.db2.gz IDICFTVUDWCVGB-BAAYTWLHSA-N 2 0 324.415 3.575 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccn1 ZINC000527639329 1027799769 /nfs/dbraw/zinc/79/97/69/1027799769.db2.gz UFDSCRIYPTXFRB-KRWDZBQOSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527650641 1027805616 /nfs/dbraw/zinc/80/56/16/1027805616.db2.gz RHBJMPLELVKGQS-CCKFTAQKSA-N 2 0 318.530 3.984 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692075 1027829745 /nfs/dbraw/zinc/82/97/45/1027829745.db2.gz ROBVHQCZBQIPQO-BQEVRZRTSA-N 2 0 312.501 3.921 20 0 DHADRP CCOC1CC(CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364517838 1027831974 /nfs/dbraw/zinc/83/19/74/1027831974.db2.gz LXZGTJBISVZVDX-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000577729290 1027912660 /nfs/dbraw/zinc/91/26/60/1027912660.db2.gz JTQMRVZHWVZVAY-KZNAEPCWSA-N 2 0 302.437 3.664 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527850815 1027931378 /nfs/dbraw/zinc/93/13/78/1027931378.db2.gz LHUGGBUPBXOUJE-PXAZEXFGSA-N 2 0 310.844 3.788 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH2+]C34CC5([NH3+])C[C@](C)(C3)C[C@@](C)(C5)C4)C[C@@H]21 ZINC001170732133 1027933214 /nfs/dbraw/zinc/93/32/14/1027933214.db2.gz WKWWCZZZCGERSE-YEPKQSIVSA-N 2 0 302.506 3.841 20 0 DHADRP Fc1cc2c(cc1Cl)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000527898707 1027948407 /nfs/dbraw/zinc/94/84/07/1027948407.db2.gz SNSAMSXKLCYYTC-SFHVURJKSA-N 2 0 322.855 3.930 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH+]3CCC([NH3+])(Cc4ccc(F)cc4)CC3)C[C@@H]21 ZINC001170738429 1028002086 /nfs/dbraw/zinc/00/20/86/1028002086.db2.gz LZEDNOCZICAXID-BCDXTJNWSA-N 2 0 316.464 3.596 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+]C3CC[NH+](C[C@H]4CC=CCC4)CC3)C[C@@H]21 ZINC001170739086 1028007019 /nfs/dbraw/zinc/00/70/19/1028007019.db2.gz NWXBJDXNIJHLIL-DSLXNQLJSA-N 2 0 302.506 3.831 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000563350024 1028010015 /nfs/dbraw/zinc/01/00/15/1028010015.db2.gz LSZFXXIOQKDXAW-CJNGLKHVSA-N 2 0 314.395 3.840 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365821477 1028011188 /nfs/dbraw/zinc/01/11/88/1028011188.db2.gz KWDYKZQATRBVOQ-ZIAGYGMSSA-N 2 0 310.844 3.628 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c(C)c1 ZINC000528005180 1028033338 /nfs/dbraw/zinc/03/33/38/1028033338.db2.gz YNPHUZLPNHJSHY-RDJZCZTQSA-N 2 0 302.462 3.671 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4CN(Cc5cccs5)C[C@H]4C3)C[C@@H]21 ZINC001170746465 1028036526 /nfs/dbraw/zinc/03/65/26/1028036526.db2.gz NDZBQDYHNZUYPV-ITTAAEBISA-N 2 0 316.514 3.546 20 0 DHADRP Fc1ccc(C2CC([NH2+]C[C@@H]3CCN3C3CCCC3)C2)cc1 ZINC000528009182 1028038386 /nfs/dbraw/zinc/03/83/86/1028038386.db2.gz HFNYZGUYLSOBAB-KVWWFHCMSA-N 2 0 302.437 3.678 20 0 DHADRP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4C[C@@H]5[C@H](C4)C5(C)C)C[C@@H]3C2)cc1 ZINC001170752419 1028105203 /nfs/dbraw/zinc/10/52/03/1028105203.db2.gz IVAJLQXVSNLVHV-CZLMFIFXSA-N 2 0 324.512 3.793 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000367087454 1028136298 /nfs/dbraw/zinc/13/62/98/1028136298.db2.gz PXDLYRCDLJITHK-DFGXFYAUSA-N 2 0 322.518 3.536 20 0 DHADRP CO[C@@H]1CC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000367367962 1028173192 /nfs/dbraw/zinc/17/31/92/1028173192.db2.gz OTYIDTNHRVCKJE-CQJJOKNBSA-N 2 0 316.489 3.587 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000578635946 1028199933 /nfs/dbraw/zinc/19/99/33/1028199933.db2.gz WOXNJHWQZJFYIY-SFHVURJKSA-N 2 0 322.880 3.527 20 0 DHADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1Cc3ccccc31)CC2)C1CC1 ZINC000367873800 1028254973 /nfs/dbraw/zinc/25/49/73/1028254973.db2.gz JLQDTQUIJXKBBH-ROUUACIJSA-N 2 0 310.485 3.523 20 0 DHADRP COc1cccc2c(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cccc12 ZINC000449032696 1028276304 /nfs/dbraw/zinc/27/63/04/1028276304.db2.gz XWKUKSKEHUTZPJ-NVXWUHKLSA-N 2 0 312.457 3.763 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC000449046832 1028309783 /nfs/dbraw/zinc/30/97/83/1028309783.db2.gz MBWLHZDZFUBGID-QUCCMNQESA-N 2 0 324.468 3.765 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449072421 1028332485 /nfs/dbraw/zinc/33/24/85/1028332485.db2.gz KDTLHEWRCCUGAO-HZMBPMFUSA-N 2 0 323.362 3.522 20 0 DHADRP C[C@H]1CCCCN1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449076760 1028341405 /nfs/dbraw/zinc/34/14/05/1028341405.db2.gz HYHRLAKQHBMIGY-MUYFXNHWSA-N 2 0 308.510 3.721 20 0 DHADRP CC(C)[N@H+](C)CCCNCc1cnc(-c2ccccc2F)s1 ZINC000449078496 1028342069 /nfs/dbraw/zinc/34/20/69/1028342069.db2.gz XYJKGUOMVPCFFK-UHFFFAOYSA-N 2 0 321.465 3.769 20 0 DHADRP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000579197312 1028349561 /nfs/dbraw/zinc/34/95/61/1028349561.db2.gz ZELKXDITSKNQFO-IBGZPJMESA-N 2 0 302.437 3.667 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000579220721 1028353249 /nfs/dbraw/zinc/35/32/49/1028353249.db2.gz VVVBKTBRBVFTCH-MRXNPFEDSA-N 2 0 314.395 3.992 20 0 DHADRP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368584514 1028375118 /nfs/dbraw/zinc/37/51/18/1028375118.db2.gz MXLVVJDEPBYAPH-KGLIPLIRSA-N 2 0 307.507 3.673 20 0 DHADRP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000449121326 1028375967 /nfs/dbraw/zinc/37/59/67/1028375967.db2.gz HHUAETCNVDHVTA-GOSISDBHSA-N 2 0 314.498 3.711 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449130716 1028383796 /nfs/dbraw/zinc/38/37/96/1028383796.db2.gz HMBUASAWLFOHFN-WMZOPIPTSA-N 2 0 306.881 3.908 20 0 DHADRP CC[C@@H](C)[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449139996 1028396686 /nfs/dbraw/zinc/39/66/86/1028396686.db2.gz BPFJVUWCNSERGG-WBVHZDCISA-N 2 0 312.542 3.662 20 0 DHADRP Cc1cnc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000449155888 1028409087 /nfs/dbraw/zinc/40/90/87/1028409087.db2.gz CHYZQHLDPGFXFI-CZUORRHYSA-N 2 0 321.515 3.686 20 0 DHADRP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc2ccccc21 ZINC000449179948 1028436097 /nfs/dbraw/zinc/43/60/97/1028436097.db2.gz XRNFAIAPIVYELE-YQQQUEKLSA-N 2 0 324.468 3.953 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCCC2)C1 ZINC000369186382 1028456779 /nfs/dbraw/zinc/45/67/79/1028456779.db2.gz CMSYDEUYWKQJJK-OALUTQOASA-N 2 0 315.505 3.882 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CSC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000449217052 1028460315 /nfs/dbraw/zinc/46/03/15/1028460315.db2.gz WRUBVWGQQQPROH-RWQQGDIJSA-N 2 0 318.530 3.628 20 0 DHADRP COC1(C[C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000369289915 1028469164 /nfs/dbraw/zinc/46/91/64/1028469164.db2.gz GQENYMHQBORQDX-INIZCTEOSA-N 2 0 308.510 3.721 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449252361 1028474534 /nfs/dbraw/zinc/47/45/34/1028474534.db2.gz QLTICLVXKRAIFR-MJGOQNOKSA-N 2 0 318.892 3.903 20 0 DHADRP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449288730 1028511226 /nfs/dbraw/zinc/51/12/26/1028511226.db2.gz ZTTSWHHWHWWNTL-WBVHZDCISA-N 2 0 310.526 3.680 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc2ccccc21 ZINC000449345501 1028558100 /nfs/dbraw/zinc/55/81/00/1028558100.db2.gz WDHIRBWPTBEMEK-OAQYLSRUSA-N 2 0 324.468 3.766 20 0 DHADRP CC(C)Oc1cccc(CNC2CC([NH+]3CCCCC3)C2)c1 ZINC000370131942 1028568756 /nfs/dbraw/zinc/56/87/56/1028568756.db2.gz LWGASIWATPJHKI-UHFFFAOYSA-N 2 0 302.462 3.580 20 0 DHADRP CC(C)CCn1cccc1CNC1CC([NH+]2CCCCC2)C1 ZINC000370131363 1028568855 /nfs/dbraw/zinc/56/88/55/1028568855.db2.gz KELFSLKVVUHVHM-UHFFFAOYSA-N 2 0 303.494 3.641 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2C)CC[NH+](C)CC1 ZINC000815627433 1028578120 /nfs/dbraw/zinc/57/81/20/1028578120.db2.gz AORDMWJSWYECRA-AWEZNQCLSA-N 2 0 310.482 3.612 20 0 DHADRP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449433778 1028637651 /nfs/dbraw/zinc/63/76/51/1028637651.db2.gz NUOMFIXUKAXWNE-AJNGGQMLSA-N 2 0 304.400 3.714 20 0 DHADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCOC2(CCC2)C1 ZINC000449473014 1028675604 /nfs/dbraw/zinc/67/56/04/1028675604.db2.gz BHFSDRIMBGLVNY-KRWDZBQOSA-N 2 0 320.521 3.722 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371686099 1028748294 /nfs/dbraw/zinc/74/82/94/1028748294.db2.gz RBTCIUVOJLLMPR-XIRDDKMYSA-N 2 0 304.503 3.556 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cscc1C(F)(F)F ZINC000449528215 1028758925 /nfs/dbraw/zinc/75/89/25/1028758925.db2.gz NVZWKFDEDNZNKK-UHFFFAOYSA-N 2 0 308.413 3.977 20 0 DHADRP Cc1ccccc1NC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000372016006 1028791093 /nfs/dbraw/zinc/79/10/93/1028791093.db2.gz AMKSURIWUDHPOE-LJQANCHMSA-N 2 0 315.505 3.746 20 0 DHADRP CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CCCn1ccnc1 ZINC000528775715 1028797972 /nfs/dbraw/zinc/79/79/72/1028797972.db2.gz QOFNVZATZOHKCH-KRWDZBQOSA-N 2 0 301.409 3.680 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000372054622 1028798562 /nfs/dbraw/zinc/79/85/62/1028798562.db2.gz ARYOPVGKLOAEIK-ZFWWWQNUSA-N 2 0 306.416 3.962 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560169 1028802767 /nfs/dbraw/zinc/80/27/67/1028802767.db2.gz HCIBQEKWNREYJN-HZTRTUMWSA-N 2 0 304.503 3.554 20 0 DHADRP COCCCCC[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372217197 1028828046 /nfs/dbraw/zinc/82/80/46/1028828046.db2.gz KTTYFFSBSDEWBR-HXUWFJFHSA-N 2 0 318.505 3.790 20 0 DHADRP CN(C/C=C/c1ccc(F)c(F)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000567520233 1028908096 /nfs/dbraw/zinc/90/80/96/1028908096.db2.gz GIDHHOZIOJAWIA-SQRWCISFSA-N 2 0 308.416 3.784 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000628190978 1028929085 /nfs/dbraw/zinc/92/90/85/1028929085.db2.gz WJEOUWJSNNAALO-PXNSSMCTSA-N 2 0 309.457 3.617 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000568008319 1028992862 /nfs/dbraw/zinc/99/28/62/1028992862.db2.gz VALQUYPZOHNXEE-QHFSCXFQSA-N 2 0 301.478 3.714 20 0 DHADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(F)c1 ZINC000568030179 1028995330 /nfs/dbraw/zinc/99/53/30/1028995330.db2.gz LHKNWQJYYMHLSW-OAHLLOKOSA-N 2 0 308.441 3.579 20 0 DHADRP C[C@@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc2c1CCCC2 ZINC000628371948 1029019386 /nfs/dbraw/zinc/01/93/86/1029019386.db2.gz PJDSUEBFFLIJPJ-WMZOPIPTSA-N 2 0 309.457 3.845 20 0 DHADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000568237878 1029029377 /nfs/dbraw/zinc/02/93/77/1029029377.db2.gz IGQQEUIDJMSEQO-INIZCTEOSA-N 2 0 324.472 3.622 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C12CCCCC2 ZINC000568544264 1029088448 /nfs/dbraw/zinc/08/84/48/1029088448.db2.gz ZKDIUHMUAFYOFH-ZGUYJTEBSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@H+](CCc1ccncc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411441631 1029129048 /nfs/dbraw/zinc/12/90/48/1029129048.db2.gz PVJWPWHCFUMKLU-UHFFFAOYSA-N 2 0 323.484 3.742 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1 ZINC000568920707 1029145402 /nfs/dbraw/zinc/14/54/02/1029145402.db2.gz QOMYFFCSNOKKSJ-OHDICMOHSA-N 2 0 304.478 3.506 20 0 DHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](CC2CC2)c2ccccc2)CCCO1 ZINC000568947866 1029150916 /nfs/dbraw/zinc/15/09/16/1029150916.db2.gz DLNFPOKLMNFOFO-XLIONFOSSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)C1 ZINC000373911817 1029166728 /nfs/dbraw/zinc/16/67/28/1029166728.db2.gz LNUSTSFMZFLUOK-WTGUMLROSA-N 2 0 322.537 3.514 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000817585816 1029214287 /nfs/dbraw/zinc/21/42/87/1029214287.db2.gz ITRSSQVULULDAO-ACBHZAAOSA-N 2 0 316.489 3.925 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCCC[NH3+])cc1 ZINC000155440195 1029233935 /nfs/dbraw/zinc/23/39/35/1029233935.db2.gz XSJQMGFKMVDCEI-MRXNPFEDSA-N 2 0 317.477 3.519 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1cccs1)c1cccc(O)c1 ZINC000374208787 1029240228 /nfs/dbraw/zinc/24/02/28/1029240228.db2.gz DZPOXEMMRBRBGA-JCKWVBRZSA-N 2 0 316.470 3.797 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCCCCCC1 ZINC000817894002 1029268617 /nfs/dbraw/zinc/26/86/17/1029268617.db2.gz WGKDAQORDNXDPJ-ICSRJNTNSA-N 2 0 314.473 3.945 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000817895709 1029268835 /nfs/dbraw/zinc/26/88/35/1029268835.db2.gz ZSFGRJPMCMHWTA-ALKREAHSSA-N 2 0 302.462 3.514 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCCCCCC1 ZINC000817894001 1029269289 /nfs/dbraw/zinc/26/92/89/1029269289.db2.gz WGKDAQORDNXDPJ-AZUAARDMSA-N 2 0 314.473 3.945 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)c2ccccc21 ZINC000817922236 1029275329 /nfs/dbraw/zinc/27/53/29/1029275329.db2.gz BVTXCMDCIHFQRW-WDEXLOMXSA-N 2 0 322.452 3.551 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000817946921 1029286629 /nfs/dbraw/zinc/28/66/29/1029286629.db2.gz HUHRXYXHGFCBFF-OUAUKWLOSA-N 2 0 316.276 3.614 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccccc1OC(F)F ZINC000817946812 1029288260 /nfs/dbraw/zinc/28/82/60/1029288260.db2.gz FGXGXXGOXAXFLG-ZDUSSCGKSA-N 2 0 320.383 3.640 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(SC(F)F)cc1 ZINC000817948050 1029290014 /nfs/dbraw/zinc/29/00/14/1029290014.db2.gz SXZUOLVNQXGJJX-QFWMXSHPSA-N 2 0 300.418 3.922 20 0 DHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949229 1029290092 /nfs/dbraw/zinc/29/00/92/1029290092.db2.gz OMIYCHBGUSQBJV-VBKZILBWSA-N 2 0 312.432 3.740 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950653 1029290822 /nfs/dbraw/zinc/29/08/22/1029290822.db2.gz ZHCQDWYPCNXEFW-AWEZNQCLSA-N 2 0 318.411 3.577 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(F)ccc1F ZINC000817949482 1029291851 /nfs/dbraw/zinc/29/18/51/1029291851.db2.gz QLJQKURJFREIBD-SFHVURJKSA-N 2 0 304.384 3.707 20 0 DHADRP COc1ccnc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000925227148 1029309076 /nfs/dbraw/zinc/30/90/76/1029309076.db2.gz BOLQUHQZDJZCAX-KLAILNCOSA-N 2 0 317.477 3.538 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(SC(F)F)cc1 ZINC000817970858 1029311763 /nfs/dbraw/zinc/31/17/63/1029311763.db2.gz GGZAUUNVLGVQMO-COPLHBTASA-N 2 0 300.418 3.650 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(SC(F)F)cc1 ZINC000817970860 1029311860 /nfs/dbraw/zinc/31/18/60/1029311860.db2.gz GGZAUUNVLGVQMO-SUNKGSAMSA-N 2 0 300.418 3.650 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(SC(F)F)cc1 ZINC000817986576 1029321830 /nfs/dbraw/zinc/32/18/30/1029321830.db2.gz RTDXECGSJXZIEA-GFCCVEGCSA-N 2 0 312.429 3.962 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000817987200 1029322007 /nfs/dbraw/zinc/32/20/07/1029322007.db2.gz XWIUAWUBKQTEBJ-DZGCQCFKSA-N 2 0 322.880 3.982 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000817987203 1029322801 /nfs/dbraw/zinc/32/28/01/1029322801.db2.gz XWIUAWUBKQTEBJ-ZFWWWQNUSA-N 2 0 322.880 3.982 20 0 DHADRP C[C@@H]([NH2+]CC/C=C\c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000629514136 1029352062 /nfs/dbraw/zinc/35/20/62/1029352062.db2.gz KYIDREBZYFTDAV-TUROQXCFSA-N 2 0 323.278 3.583 20 0 DHADRP C[C@@H]([NH2+]CC/C=C/c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000629514130 1029352921 /nfs/dbraw/zinc/35/29/21/1029352921.db2.gz KYIDREBZYFTDAV-DLYMFSGJSA-N 2 0 323.278 3.583 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000629525189 1029356966 /nfs/dbraw/zinc/35/69/66/1029356966.db2.gz WNFYUGCOJNBRTQ-OKZBNKHCSA-N 2 0 315.505 3.568 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533253 1029361288 /nfs/dbraw/zinc/36/12/88/1029361288.db2.gz PRVGVRPREPJVAL-IAGOWNOFSA-N 2 0 315.505 3.589 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629548130 1029363404 /nfs/dbraw/zinc/36/34/04/1029363404.db2.gz MFUOVFVWJPMLEI-VNQPRFMTSA-N 2 0 303.837 3.668 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000629549641 1029363767 /nfs/dbraw/zinc/36/37/67/1029363767.db2.gz SZPBABBDFDSWIF-KMCQBPLKSA-N 2 0 304.865 3.695 20 0 DHADRP CC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000570442264 1029367548 /nfs/dbraw/zinc/36/75/48/1029367548.db2.gz ZZGSQYDEUBJADH-WQCNXYOZSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529534259 1029367769 /nfs/dbraw/zinc/36/77/69/1029367769.db2.gz UKSWMGHJUUESSP-OAHLLOKOSA-N 2 0 322.443 3.922 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]CCCC[NH+]1CCCC1)CC2 ZINC001170895040 1029378407 /nfs/dbraw/zinc/37/84/07/1029378407.db2.gz RCJOZMPOTGAVKS-INIZCTEOSA-N 2 0 306.881 3.663 20 0 DHADRP CC[C@@H]1CCC[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1 ZINC000570536722 1029380315 /nfs/dbraw/zinc/38/03/15/1029380315.db2.gz ULNRLDKRWPSNPC-BNCGXOKJSA-N 2 0 322.537 3.776 20 0 DHADRP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910351 1029412805 /nfs/dbraw/zinc/41/28/05/1029412805.db2.gz GEPAKJNEUQPOPR-MRXNPFEDSA-N 2 0 318.892 3.791 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170906484 1029418329 /nfs/dbraw/zinc/41/83/29/1029418329.db2.gz GVHJZGVFJDOVEP-KRWDZBQOSA-N 2 0 320.908 3.909 20 0 DHADRP C[NH2+][C@H](CO)c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)c1 ZINC000629703123 1029429793 /nfs/dbraw/zinc/42/97/93/1029429793.db2.gz ZZQVAESSGVFTMN-HRAATJIYSA-N 2 0 324.468 3.591 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000818959688 1029445685 /nfs/dbraw/zinc/44/56/85/1029445685.db2.gz QUOZQYCTJRLTMY-QAPCUYQASA-N 2 0 324.896 3.618 20 0 DHADRP CCC(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450495184 1029505054 /nfs/dbraw/zinc/50/50/54/1029505054.db2.gz SLKGLYQAFBUHDW-KRWDZBQOSA-N 2 0 308.510 3.722 20 0 DHADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229644 1029556068 /nfs/dbraw/zinc/55/60/68/1029556068.db2.gz PKIGEPHMMHAZLW-RGVPCPSESA-N 2 0 310.526 3.703 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2CC(F)(F)C2)CC1)CC1CC1 ZINC000450651895 1029595438 /nfs/dbraw/zinc/59/54/38/1029595438.db2.gz MNKHKKJEOLNTAT-UHFFFAOYSA-N 2 0 314.464 3.866 20 0 DHADRP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000450868830 1029714747 /nfs/dbraw/zinc/71/47/47/1029714747.db2.gz ABIGQELLUNPPOG-GOEBONIOSA-N 2 0 309.523 3.640 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000530218855 1029787495 /nfs/dbraw/zinc/78/74/95/1029787495.db2.gz XOUPLYSAUCWEHV-PVAVHDDUSA-N 2 0 304.865 3.850 20 0 DHADRP COc1cccc([C@@H]2C[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2(C)C)c1 ZINC000530245354 1029790267 /nfs/dbraw/zinc/79/02/67/1029790267.db2.gz WOBPMQJIPDHVCB-FCEWJHQRSA-N 2 0 316.489 3.509 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170956851 1029794565 /nfs/dbraw/zinc/79/45/65/1029794565.db2.gz IICJSXHNNNBRII-DOTOQJQBSA-N 2 0 306.469 3.783 20 0 DHADRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168128125 1029815133 /nfs/dbraw/zinc/81/51/33/1029815133.db2.gz NNVDKKNLIAMHFG-YLJYHZDGSA-N 2 0 316.489 3.540 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000392268556 1029824241 /nfs/dbraw/zinc/82/42/41/1029824241.db2.gz JHRVHKVMKRSQAO-UHFFFAOYSA-N 2 0 322.452 3.617 20 0 DHADRP CCOC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000530546209 1029884372 /nfs/dbraw/zinc/88/43/72/1029884372.db2.gz YZSGNASEPBJGEI-HOJAQTOUSA-N 2 0 318.505 3.548 20 0 DHADRP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C(C)(C)C ZINC000865588732 1029930645 /nfs/dbraw/zinc/93/06/45/1029930645.db2.gz FQLAVPUELKDVBW-ALOPSCKCSA-N 2 0 316.489 3.708 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170978349 1029946336 /nfs/dbraw/zinc/94/63/36/1029946336.db2.gz UUWCYLYGUIZCGI-DOTOQJQBSA-N 2 0 304.453 3.524 20 0 DHADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000470021189 1029991419 /nfs/dbraw/zinc/99/14/19/1029991419.db2.gz RTSDJQXFCUMCEG-GFCCVEGCSA-N 2 0 306.862 3.849 20 0 DHADRP CC(C)([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000865744506 1029999855 /nfs/dbraw/zinc/99/98/55/1029999855.db2.gz YBENEJFABGFGQT-GOSISDBHSA-N 2 0 308.510 3.721 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000865764828 1030014022 /nfs/dbraw/zinc/01/40/22/1030014022.db2.gz DTSSEONPJQLLJA-SNAWJCMRSA-N 2 0 308.416 3.831 20 0 DHADRP C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CS1 ZINC000865775249 1030016402 /nfs/dbraw/zinc/01/64/02/1030016402.db2.gz RZJAFPXWFPXVJW-WMZOPIPTSA-N 2 0 318.530 3.524 20 0 DHADRP C[C@@H]1C[C@@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000290430415 1030047397 /nfs/dbraw/zinc/04/73/97/1030047397.db2.gz VAZUKZMAADMJQC-MBPVOVBZSA-N 2 0 324.468 3.534 20 0 DHADRP C[C@H]1C[C@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000290430423 1030048021 /nfs/dbraw/zinc/04/80/21/1030048021.db2.gz VAZUKZMAADMJQC-NASSWSRMSA-N 2 0 324.468 3.534 20 0 DHADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000290447244 1030053419 /nfs/dbraw/zinc/05/34/19/1030053419.db2.gz MCWQAICEPCHALY-UZLBHIALSA-N 2 0 309.457 3.521 20 0 DHADRP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc(C[NH+]2CCCC2)c1 ZINC000924607019 1030139031 /nfs/dbraw/zinc/13/90/31/1030139031.db2.gz PBCGQEIGYIYWQP-YQQQUEKLSA-N 2 0 316.514 3.799 20 0 DHADRP COCc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924611587 1030139325 /nfs/dbraw/zinc/13/93/25/1030139325.db2.gz YIZVWUPUOHGMBK-INIZCTEOSA-N 2 0 312.457 3.745 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccnc(Cl)c1 ZINC000120932929 1030149826 /nfs/dbraw/zinc/14/98/26/1030149826.db2.gz WYQOLXHWRRDUKM-LBPRGKRZSA-N 2 0 321.827 3.787 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccnnc1 ZINC000924667630 1030154344 /nfs/dbraw/zinc/15/43/44/1030154344.db2.gz LSVDAJDOHDFXLZ-IRXDYDNUSA-N 2 0 324.472 3.559 20 0 DHADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000924660520 1030154976 /nfs/dbraw/zinc/15/49/76/1030154976.db2.gz ZJJHRWWOJYXKOT-KRWDZBQOSA-N 2 0 311.473 3.643 20 0 DHADRP C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccnnc1 ZINC000924680805 1030156737 /nfs/dbraw/zinc/15/67/37/1030156737.db2.gz SNHMAVIAXYXCHW-IAGOWNOFSA-N 2 0 324.472 3.702 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)Cc2ccccn2)c1 ZINC000924706719 1030165724 /nfs/dbraw/zinc/16/57/24/1030165724.db2.gz IUTVJFHERYFZLY-QGZVFWFLSA-N 2 0 311.473 3.644 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000866233721 1030171356 /nfs/dbraw/zinc/17/13/56/1030171356.db2.gz HSLZZUCZNVSFNH-GUDVDZBRSA-N 2 0 317.521 3.750 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc2ccccc21 ZINC000924856742 1030208554 /nfs/dbraw/zinc/20/85/54/1030208554.db2.gz XTWVPISJTJZZOL-OAHLLOKOSA-N 2 0 300.446 3.841 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1(Cl)CC1 ZINC000924868628 1030213119 /nfs/dbraw/zinc/21/31/19/1030213119.db2.gz LCWWWKBKXHLZLJ-ZDUSSCGKSA-N 2 0 312.910 3.710 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866385762 1030270627 /nfs/dbraw/zinc/27/06/27/1030270627.db2.gz ZJFMUPKANJXUDW-ZVDOUQERSA-N 2 0 323.484 3.685 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171016816 1030293636 /nfs/dbraw/zinc/29/36/36/1030293636.db2.gz BCVWSUZIDLLCHG-QGZVFWFLSA-N 2 0 320.908 3.907 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171019522 1030300512 /nfs/dbraw/zinc/30/05/12/1030300512.db2.gz XRPDRFYBIPHRKQ-GDBMZVCRSA-N 2 0 306.881 3.519 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000358049348 1030301886 /nfs/dbraw/zinc/30/18/86/1030301886.db2.gz RELZGRLFYXYFCS-NSHGMRRFSA-N 2 0 318.505 3.925 20 0 DHADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925209239 1030304744 /nfs/dbraw/zinc/30/47/44/1030304744.db2.gz WQSHUWAUAYTTQG-QFBILLFUSA-N 2 0 310.526 3.703 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358067219 1030305974 /nfs/dbraw/zinc/30/59/74/1030305974.db2.gz WZQQNGBYPLXQER-RUGDWHBFSA-N 2 0 322.880 3.632 20 0 DHADRP C1CC1[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000925229872 1030312425 /nfs/dbraw/zinc/31/24/25/1030312425.db2.gz QJORKIIHVQMHGM-OAHAVBBTSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925230987 1030314252 /nfs/dbraw/zinc/31/42/52/1030314252.db2.gz AHBDEMGFLUNHMB-KRWDZBQOSA-N 2 0 319.493 3.708 20 0 DHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000866506664 1030333943 /nfs/dbraw/zinc/33/39/43/1030333943.db2.gz OYUXSZOHVKDYOG-BFHYXJOUSA-N 2 0 306.416 3.818 20 0 DHADRP CC(C)(C)[NH+]1CCC(N[C@H]2CCc3c2nccc3Cl)CC1 ZINC000925306065 1030339033 /nfs/dbraw/zinc/33/90/33/1030339033.db2.gz FVETVOSWMKIHQV-HNNXBMFYSA-N 2 0 307.869 3.575 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000866517618 1030341039 /nfs/dbraw/zinc/34/10/39/1030341039.db2.gz KIGDMGZBYKMYLN-OBONGRFPSA-N 2 0 301.478 3.786 20 0 DHADRP COC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000866516907 1030341887 /nfs/dbraw/zinc/34/18/87/1030341887.db2.gz DTRSLUJIEBGKLU-ADKAHSJRSA-N 2 0 324.896 3.880 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c(F)c1 ZINC000866517010 1030342228 /nfs/dbraw/zinc/34/22/28/1030342228.db2.gz USJPKRMGGMNZMW-WRSVWVKZSA-N 2 0 308.441 3.748 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc2c(c1)CCO2 ZINC000866516375 1030342397 /nfs/dbraw/zinc/34/23/97/1030342397.db2.gz QLAYIIXHIRQPJJ-ZCGYKAAXSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000866518035 1030342654 /nfs/dbraw/zinc/34/26/54/1030342654.db2.gz RJYQHVIWHZLVEZ-MJJDPTRDSA-N 2 0 301.434 3.741 20 0 DHADRP Cc1cc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc[nH+]1 ZINC000358167647 1030354937 /nfs/dbraw/zinc/35/49/37/1030354937.db2.gz WZIBYVBGSXJQPA-MRXNPFEDSA-N 2 0 309.457 3.656 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC001246277122 1030378940 /nfs/dbraw/zinc/37/89/40/1030378940.db2.gz HXIHMUSDRSRROO-RYUDHWBXSA-N 2 0 301.261 3.514 20 0 DHADRP COCc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000925510018 1030379669 /nfs/dbraw/zinc/37/96/69/1030379669.db2.gz SLIRMVQEAOGRNH-IBGZPJMESA-N 2 0 316.420 3.542 20 0 DHADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171030136 1030391270 /nfs/dbraw/zinc/39/12/70/1030391270.db2.gz LIIWPJLCICOSJS-BZUAXINKSA-N 2 0 306.881 3.660 20 0 DHADRP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171031080 1030393066 /nfs/dbraw/zinc/39/30/66/1030393066.db2.gz SSDREGHEWKVFNX-INIZCTEOSA-N 2 0 318.892 3.791 20 0 DHADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925542130 1030393988 /nfs/dbraw/zinc/39/39/88/1030393988.db2.gz NOGZZCZXXSNORI-QKGCVVFFSA-N 2 0 318.427 3.721 20 0 DHADRP C[C@H]([NH2+][C@@H](Cc1cccnc1)C1CCCC1)C1CC[NH+](C)CC1 ZINC000866607105 1030395905 /nfs/dbraw/zinc/39/59/05/1030395905.db2.gz AEAHAFOHRHHKKI-JXFKEZNVSA-N 2 0 315.505 3.503 20 0 DHADRP COc1cc(Cl)ccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925556312 1030400979 /nfs/dbraw/zinc/40/09/79/1030400979.db2.gz JWJKVEYXCICHCW-KRWDZBQOSA-N 2 0 318.848 3.918 20 0 DHADRP CC(C)c1csc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925557994 1030401575 /nfs/dbraw/zinc/40/15/75/1030401575.db2.gz DAIQSQZNAXLXDI-HNNXBMFYSA-N 2 0 303.475 3.836 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925564828 1030407485 /nfs/dbraw/zinc/40/74/85/1030407485.db2.gz VZNFFTJNPFVAGC-CRAIPNDOSA-N 2 0 302.462 3.501 20 0 DHADRP CCCC[C@H]1C[C@H]([NH2+]CCCCCCCCCCO)CC[NH2+]1 ZINC001246285965 1030408205 /nfs/dbraw/zinc/40/82/05/1030408205.db2.gz GODYTDIZKXEJQZ-RBUKOAKNSA-N 2 0 312.542 4.000 20 0 DHADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000925631394 1030427547 /nfs/dbraw/zinc/42/75/47/1030427547.db2.gz XZQMFOXSSOLVEP-QRVBRYPASA-N 2 0 304.478 3.650 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000866705597 1030428979 /nfs/dbraw/zinc/42/89/79/1030428979.db2.gz DJFXPGIZYMZJII-IBGZPJMESA-N 2 0 315.436 3.571 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc2ncsc2c1 ZINC000925641962 1030431275 /nfs/dbraw/zinc/43/12/75/1030431275.db2.gz DNFAYHWNXNFMIN-YUTCNCBUSA-N 2 0 303.475 3.853 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccccc1 ZINC000925679265 1030450008 /nfs/dbraw/zinc/45/00/08/1030450008.db2.gz IUTHZYQJRJIKLV-AEFFLSMTSA-N 2 0 312.482 3.946 20 0 DHADRP C[C@@]1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1(Cl)Cl ZINC000925682260 1030453636 /nfs/dbraw/zinc/45/36/36/1030453636.db2.gz VQUZKXTTZJTJLT-KBPBESRZSA-N 2 0 301.261 3.640 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccco1 ZINC000925704485 1030458066 /nfs/dbraw/zinc/45/80/66/1030458066.db2.gz HHHALWBLQOLBKO-IBGZPJMESA-N 2 0 310.441 3.723 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925716668 1030463373 /nfs/dbraw/zinc/46/33/73/1030463373.db2.gz BPIMBGKRSBJFJK-GJZGRUSLSA-N 2 0 318.427 3.867 20 0 DHADRP c1csc(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121694620 1030464230 /nfs/dbraw/zinc/46/42/30/1030464230.db2.gz BAGHSVKKSVEGSM-UHFFFAOYSA-N 2 0 306.519 3.879 20 0 DHADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)F ZINC000925734977 1030470046 /nfs/dbraw/zinc/47/00/46/1030470046.db2.gz WHTBBLSRLJCBKB-KSSFIOAISA-N 2 0 324.415 3.513 20 0 DHADRP C[C@H](c1cccc2ccccc21)N1CCc2sc(C[NH3+])nc2C1 ZINC000925748702 1030476398 /nfs/dbraw/zinc/47/63/98/1030476398.db2.gz XNOXNXKXAHMEJZ-CYBMUJFWSA-N 2 0 323.465 3.874 20 0 DHADRP CCCC[C@@H](c1ccccc1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925749668 1030477024 /nfs/dbraw/zinc/47/70/24/1030477024.db2.gz YMLCMEDYCDAOQZ-INIZCTEOSA-N 2 0 315.486 3.891 20 0 DHADRP Cc1cccc2c1[C@H](C)C[C@H]2N1CCc2sc(C[NH3+])nc2C1 ZINC000925749191 1030477311 /nfs/dbraw/zinc/47/73/11/1030477311.db2.gz VEUCBXOAGXOICJ-IUODEOHRSA-N 2 0 313.470 3.517 20 0 DHADRP CCC[NH+](CCC)CCCNC(=O)Nc1c(C)cc(C)nc1C ZINC000455482956 1030484590 /nfs/dbraw/zinc/48/45/90/1030484590.db2.gz PSRLXBGFCKPOMG-UHFFFAOYSA-N 2 0 320.481 3.640 20 0 DHADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777765 1030492441 /nfs/dbraw/zinc/49/24/41/1030492441.db2.gz QHADNSVGZYFETD-GOEBONIOSA-N 2 0 308.416 3.515 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925779644 1030496353 /nfs/dbraw/zinc/49/63/53/1030496353.db2.gz YTTJDUAGVQMPKY-RRQGHBQHSA-N 2 0 308.416 3.705 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925800195 1030500168 /nfs/dbraw/zinc/50/01/68/1030500168.db2.gz WPWUAXZEHAQNHC-APIJFGDWSA-N 2 0 317.502 3.624 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2ccccc2)cc1 ZINC000925796820 1030501303 /nfs/dbraw/zinc/50/13/03/1030501303.db2.gz LOTMTUTUSCDMDQ-OZOXKJRCSA-N 2 0 324.468 3.620 20 0 DHADRP FC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000558257534 1030502304 /nfs/dbraw/zinc/50/23/04/1030502304.db2.gz QWJLPWFCYDXCKB-GUDVDZBRSA-N 2 0 316.464 3.769 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cnc3ccccc3c2)c2ccccc21 ZINC000925830197 1030511434 /nfs/dbraw/zinc/51/14/34/1030511434.db2.gz CKYSJHVTRFJLOT-UYAOXDASSA-N 2 0 303.409 3.512 20 0 DHADRP C[C@H]1Cc2cc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)ccc2O1 ZINC000925831966 1030515489 /nfs/dbraw/zinc/51/54/89/1030515489.db2.gz MAGBGQWALUXPIC-KXBFYZLASA-N 2 0 310.441 3.580 20 0 DHADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(-c2ccncc2)c1 ZINC000925841174 1030516159 /nfs/dbraw/zinc/51/61/59/1030516159.db2.gz HCTAAOPQZRBADM-ZLGUVYLKSA-N 2 0 321.468 3.931 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000925885944 1030534290 /nfs/dbraw/zinc/53/42/90/1030534290.db2.gz BUHKCOZZEIPJCQ-NMIHRBCNSA-N 2 0 320.480 3.971 20 0 DHADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887641 1030537421 /nfs/dbraw/zinc/53/74/21/1030537421.db2.gz IVDDOVLLJORYAN-BLIXFSHQSA-N 2 0 324.468 3.713 20 0 DHADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246333643 1030585093 /nfs/dbraw/zinc/58/50/93/1030585093.db2.gz KYLWBFVIROXVDS-CQSZACIVSA-N 2 0 323.278 3.522 20 0 DHADRP CSC1(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000558508611 1030611907 /nfs/dbraw/zinc/61/19/07/1030611907.db2.gz XCYDUGGFVANWCX-HZPDHXFCSA-N 2 0 306.519 3.596 20 0 DHADRP C[C@H](CCN[C@@H](C)c1cnn(C2CCC2)c1)[NH+]1CCCCC1 ZINC000926146463 1030632361 /nfs/dbraw/zinc/63/23/61/1030632361.db2.gz VFMVKGPDSDXKTE-CVEARBPZSA-N 2 0 304.482 3.523 20 0 DHADRP Cc1csc([C@@H](C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926151208 1030632945 /nfs/dbraw/zinc/63/29/45/1030632945.db2.gz TUIMCJQCTDKAKD-DZGCQCFKSA-N 2 0 317.502 3.967 20 0 DHADRP CCOc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246524698 1030633077 /nfs/dbraw/zinc/63/30/77/1030633077.db2.gz JBHBWWNWEPRBRT-LPHOPBHVSA-N 2 0 314.473 3.534 20 0 DHADRP CC1([NH3+])CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171066151 1030635268 /nfs/dbraw/zinc/63/52/68/1030635268.db2.gz HIDBHQRUIDYHGX-ZDUSSCGKSA-N 2 0 313.272 3.664 20 0 DHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C1CCCCCC1 ZINC000558568304 1030649938 /nfs/dbraw/zinc/64/99/38/1030649938.db2.gz IRVDPWKKAWBJCA-UHFFFAOYSA-N 2 0 316.489 3.974 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000247011943 1030667635 /nfs/dbraw/zinc/66/76/35/1030667635.db2.gz LGVVTPJZPQOTLO-KGLIPLIRSA-N 2 0 309.523 3.923 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000247160224 1030679583 /nfs/dbraw/zinc/67/95/83/1030679583.db2.gz UBYVSBPDCODMKI-FGTMMUONSA-N 2 0 320.525 3.873 20 0 DHADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000122390658 1030686414 /nfs/dbraw/zinc/68/64/14/1030686414.db2.gz AIZPIHRIOPNYJE-ZOWXZIJZSA-N 2 0 300.368 3.826 20 0 DHADRP c1ccc(SC2CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000926337924 1030703204 /nfs/dbraw/zinc/70/32/04/1030703204.db2.gz SPTUYKDCHMNJAR-UHFFFAOYSA-N 2 0 316.514 3.916 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926372398 1030715020 /nfs/dbraw/zinc/71/50/20/1030715020.db2.gz QGKXYCWPTBSJLU-MHORFTMASA-N 2 0 318.505 3.993 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359016477 1030730611 /nfs/dbraw/zinc/73/06/11/1030730611.db2.gz QYZFAHNSGJUDJC-MJGOQNOKSA-N 2 0 309.457 3.563 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccco1 ZINC000926449342 1030744046 /nfs/dbraw/zinc/74/40/46/1030744046.db2.gz FDLRXZWIQVZDNC-QFBILLFUSA-N 2 0 321.424 3.742 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926449775 1030744181 /nfs/dbraw/zinc/74/41/81/1030744181.db2.gz HWDOPMZIBSGACK-ZFWWWQNUSA-N 2 0 315.486 3.600 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC[NH+](C)CC1 ZINC000926449912 1030745583 /nfs/dbraw/zinc/74/55/83/1030745583.db2.gz XWSCETDIUADPJO-AWEZNQCLSA-N 2 0 317.502 3.646 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1csc(C(F)(F)F)c1 ZINC000926451433 1030745599 /nfs/dbraw/zinc/74/55/99/1030745599.db2.gz ZZSYMTPOMVOWAB-PSASIEDQSA-N 2 0 315.364 3.698 20 0 DHADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CCCCC[NH+]2CCCC2)nc1 ZINC000926488211 1030761702 /nfs/dbraw/zinc/76/17/02/1030761702.db2.gz WRUOKEOPUDZQFR-UYAOXDASSA-N 2 0 315.505 3.649 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248773530 1030767126 /nfs/dbraw/zinc/76/71/26/1030767126.db2.gz ATDZVKDNIZTHMN-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000122682225 1030824977 /nfs/dbraw/zinc/82/49/77/1030824977.db2.gz MYUNUEZSDNZQPX-QGZVFWFLSA-N 2 0 318.505 3.728 20 0 DHADRP c1ccc2sc([C@H]3CCC[N@H+]3CCC3CC[NH2+]CC3)nc2c1 ZINC000359215127 1030844796 /nfs/dbraw/zinc/84/47/96/1030844796.db2.gz QILDLQYNUXXYGX-MRXNPFEDSA-N 2 0 315.486 3.823 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc(OC(F)F)c1 ZINC000359277008 1030878870 /nfs/dbraw/zinc/87/88/70/1030878870.db2.gz DEFCWKGEDLDHGX-UHFFFAOYSA-N 2 0 320.383 3.639 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000926786153 1030924756 /nfs/dbraw/zinc/92/47/56/1030924756.db2.gz CSYJCOZCFRGHFX-INIZCTEOSA-N 2 0 318.509 3.769 20 0 DHADRP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000359360611 1030927527 /nfs/dbraw/zinc/92/75/27/1030927527.db2.gz GHSIJMKHCRNRET-LJQANCHMSA-N 2 0 300.446 3.841 20 0 DHADRP Cc1c(F)cc(F)cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001143763980 1030950307 /nfs/dbraw/zinc/95/03/07/1030950307.db2.gz IKONUUCTXSOIKG-UHFFFAOYSA-N 2 0 310.432 3.825 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000359410585 1030950650 /nfs/dbraw/zinc/95/06/50/1030950650.db2.gz RFFFFXAXRPKTIC-MAUKXSAKSA-N 2 0 302.462 3.537 20 0 DHADRP CC1(C)CC2(CC([NH2+]C3CCC(C)([NH+]4CCCC4)CC3)C2)CO1 ZINC000926889038 1030969035 /nfs/dbraw/zinc/96/90/35/1030969035.db2.gz MMKGZWGTJBWGKN-UHFFFAOYSA-N 2 0 320.521 3.721 20 0 DHADRP COc1ccc2ccccc2c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926913035 1030986081 /nfs/dbraw/zinc/98/60/81/1030986081.db2.gz YVXKNJDGFRJZTN-AYHJJNSGSA-N 2 0 324.468 3.606 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C(F)(F)F)CC2)C1 ZINC000926949199 1031012584 /nfs/dbraw/zinc/01/25/84/1031012584.db2.gz LJRBNCVIXQLKSV-WMHQRMGPSA-N 2 0 318.427 3.818 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000927036343 1031043680 /nfs/dbraw/zinc/04/36/80/1031043680.db2.gz AFXUPKXYHZPFHT-PJOPYLDSSA-N 2 0 302.437 3.810 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(O)cc(F)c1 ZINC000927036571 1031045508 /nfs/dbraw/zinc/04/55/08/1031045508.db2.gz IYMLCTGTCMMFQA-BELGNNRLSA-N 2 0 306.425 3.589 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038875 1031045867 /nfs/dbraw/zinc/04/58/67/1031045867.db2.gz RMZZMQQKTPQBRQ-OXHPOLQJSA-N 2 0 316.489 3.759 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000927037217 1031046006 /nfs/dbraw/zinc/04/60/06/1031046006.db2.gz LZWYIGYKNNSKTL-SKINQDTJSA-N 2 0 313.489 3.919 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(O)cc(F)c1 ZINC000927036746 1031046631 /nfs/dbraw/zinc/04/66/31/1031046631.db2.gz IYMLCTGTCMMFQA-IMUUDWKMSA-N 2 0 306.425 3.589 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cn1 ZINC000927037191 1031046967 /nfs/dbraw/zinc/04/69/67/1031046967.db2.gz LXCWQNDVOJTYNZ-BZOOQXSSSA-N 2 0 307.869 3.793 20 0 DHADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593524 1031051570 /nfs/dbraw/zinc/05/15/70/1031051570.db2.gz RZTAEHGCRQGBNS-UZLBHIALSA-N 2 0 309.457 3.884 20 0 DHADRP CCC[NH+]1CCC(N[C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000359620951 1031064839 /nfs/dbraw/zinc/06/48/39/1031064839.db2.gz NEKMHJISPOTIHV-LJQANCHMSA-N 2 0 316.489 3.981 20 0 DHADRP Brc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262121406 1031097363 /nfs/dbraw/zinc/09/73/63/1031097363.db2.gz CCNCGPYKLYVURY-INIZCTEOSA-N 2 0 323.278 3.586 20 0 DHADRP CCc1onc(C)c1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000927130598 1031110507 /nfs/dbraw/zinc/11/05/07/1031110507.db2.gz DUMMUDMCALUARU-CYBMUJFWSA-N 2 0 310.401 3.582 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000123650885 1031224509 /nfs/dbraw/zinc/22/45/09/1031224509.db2.gz YLBYGXSWZPVSQU-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP CCc1nc(C(C)C)ccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000292897175 1031238894 /nfs/dbraw/zinc/23/88/94/1031238894.db2.gz VSVAOYVVYFNXRI-RDJZCZTQSA-N 2 0 303.494 3.682 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000536652156 1031356054 /nfs/dbraw/zinc/35/60/54/1031356054.db2.gz WVTCLQLCIBYJFZ-UXHICEINSA-N 2 0 300.490 3.842 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc2c(c1)CCCO2 ZINC000844925039 1031403887 /nfs/dbraw/zinc/40/38/87/1031403887.db2.gz PCFDWBIELRXBHZ-FQEVSTJZSA-N 2 0 324.468 3.972 20 0 DHADRP COc1ccccc1/C=C\C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000536696994 1031404796 /nfs/dbraw/zinc/40/47/96/1031404796.db2.gz GWMNOWFLLWOZNT-YFHOEESVSA-N 2 0 316.489 3.762 20 0 DHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000872041064 1031425167 /nfs/dbraw/zinc/42/51/67/1031425167.db2.gz FYIJTVCIZMNRLB-JWHDQAAXSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000872041060 1031425445 /nfs/dbraw/zinc/42/54/45/1031425445.db2.gz FYIJTVCIZMNRLB-CHPDAQJUSA-N 2 0 322.537 3.967 20 0 DHADRP CC(C)SCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379650943 1031426689 /nfs/dbraw/zinc/42/66/89/1031426689.db2.gz SZWVRHNEUKLDMA-AEFFLSMTSA-N 2 0 306.519 3.771 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872052620 1031441342 /nfs/dbraw/zinc/44/13/42/1031441342.db2.gz DNINZTXHWCWSRD-INIZCTEOSA-N 2 0 302.487 3.854 20 0 DHADRP COCCC[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536826416 1031447681 /nfs/dbraw/zinc/44/76/81/1031447681.db2.gz LCVJZISEYKPGOB-CMKODMSKSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000536846198 1031453360 /nfs/dbraw/zinc/45/33/60/1031453360.db2.gz REROCVUJVPNDOG-IKGGRYGDSA-N 2 0 300.490 3.914 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000536883200 1031468190 /nfs/dbraw/zinc/46/81/90/1031468190.db2.gz RPPHPNINFKZPKS-TYNCELHUSA-N 2 0 315.288 3.854 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C(C)C)cc1 ZINC000536949077 1031479839 /nfs/dbraw/zinc/47/98/39/1031479839.db2.gz LNEADWRKLZFDSU-LPHOPBHVSA-N 2 0 304.478 3.714 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000536998185 1031485813 /nfs/dbraw/zinc/48/58/13/1031485813.db2.gz IYZVVESSAMLKOT-KXBFYZLASA-N 2 0 304.453 3.987 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929295328 1031486804 /nfs/dbraw/zinc/48/68/04/1031486804.db2.gz GDHTXYNUWPKAJH-BJWYYQGGSA-N 2 0 314.464 3.722 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000872112326 1031503561 /nfs/dbraw/zinc/50/35/61/1031503561.db2.gz IMYGOHUSWQSENC-OAHLLOKOSA-N 2 0 304.478 3.684 20 0 DHADRP COc1cccc2c(N3CCC(c4ncc[nH]4)CC3)cc(C)nc12 ZINC000360662960 1031509646 /nfs/dbraw/zinc/50/96/46/1031509646.db2.gz IIUNSRVZINZEHS-UHFFFAOYSA-N 2 0 322.412 3.659 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)ccn1 ZINC000872156273 1031535239 /nfs/dbraw/zinc/53/52/39/1031535239.db2.gz HEWRNOBEFNEWRL-APWZRJJASA-N 2 0 301.478 3.510 20 0 DHADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872156447 1031535320 /nfs/dbraw/zinc/53/53/20/1031535320.db2.gz JXNGGYAVVMNMAO-LPHOPBHVSA-N 2 0 301.478 3.510 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000537202946 1031535529 /nfs/dbraw/zinc/53/55/29/1031535529.db2.gz FKKMQVTUXOEQFU-RLLQIKCJSA-N 2 0 300.490 3.671 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000872155379 1031535476 /nfs/dbraw/zinc/53/54/76/1031535476.db2.gz LQDDYHWDXHIVCF-CYBMUJFWSA-N 2 0 300.393 3.800 20 0 DHADRP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)CCCCCC[NH3+])n1 ZINC000872155675 1031536330 /nfs/dbraw/zinc/53/63/30/1031536330.db2.gz YHUOOPLGQJJWSF-OAHLLOKOSA-N 2 0 316.449 3.557 20 0 DHADRP FC(F)(F)c1coc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000872145236 1031536597 /nfs/dbraw/zinc/53/65/97/1031536597.db2.gz QCOYAEIHNGETCD-ZDUSSCGKSA-N 2 0 316.367 3.510 20 0 DHADRP Cc1cnccc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158089 1031541399 /nfs/dbraw/zinc/54/13/99/1031541399.db2.gz SKPIUGOEXHJQAQ-APWZRJJASA-N 2 0 301.478 3.510 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857891 1031541747 /nfs/dbraw/zinc/54/17/47/1031541747.db2.gz OIUDFATVLYFSHU-XJKSGUPXSA-N 2 0 314.395 3.758 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293623271 1031542958 /nfs/dbraw/zinc/54/29/58/1031542958.db2.gz FXMXIOHFPPXQHN-HKUYNNGSSA-N 2 0 304.478 3.618 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000537398844 1031590656 /nfs/dbraw/zinc/59/06/56/1031590656.db2.gz MDBCBEHSYVGFHT-HLIPFELVSA-N 2 0 315.505 3.813 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)COC2 ZINC000293741295 1031595831 /nfs/dbraw/zinc/59/58/31/1031595831.db2.gz PFGBFHUZFFKXSJ-MRXNPFEDSA-N 2 0 302.462 3.634 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)c1 ZINC000361116215 1031737334 /nfs/dbraw/zinc/73/73/34/1031737334.db2.gz BZHYLJJISOVRNL-HXUWFJFHSA-N 2 0 310.441 3.621 20 0 DHADRP CC[C@](C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1nc(C)cs1 ZINC000873207208 1031759862 /nfs/dbraw/zinc/75/98/62/1031759862.db2.gz TVBSGAXWIPPNBO-INIZCTEOSA-N 2 0 321.515 3.574 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212610 1031760168 /nfs/dbraw/zinc/76/01/68/1031760168.db2.gz PRPJLUDCKOBPLP-INIZCTEOSA-N 2 0 318.873 3.824 20 0 DHADRP Fc1ccc(C2([NH2+]Cc3cc4c(s3)CC[NH2+]C4)CCC2)cc1 ZINC000873207667 1031760647 /nfs/dbraw/zinc/76/06/47/1031760647.db2.gz YOPUWAPFMQQLNX-UHFFFAOYSA-N 2 0 316.445 3.702 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2ccc(OC)cc2)CC1 ZINC000361156476 1031763158 /nfs/dbraw/zinc/76/31/58/1031763158.db2.gz SETBIYWLUVNMSC-LJQANCHMSA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)c1ncc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232939 1031767047 /nfs/dbraw/zinc/76/70/47/1031767047.db2.gz SSDMCKCUTDFCJU-HNNXBMFYSA-N 2 0 307.507 3.669 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000873249468 1031771807 /nfs/dbraw/zinc/77/18/07/1031771807.db2.gz AHKTXDXHJAJIHV-BYCMXARLSA-N 2 0 300.368 3.874 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000873254238 1031774508 /nfs/dbraw/zinc/77/45/08/1031774508.db2.gz OGAQWNJZXWTGQF-XKSSXDPKSA-N 2 0 305.274 3.759 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC000873251822 1031774790 /nfs/dbraw/zinc/77/47/90/1031774790.db2.gz LJOCTMFNVJVLPX-SRMUXQRQSA-N 2 0 310.363 3.866 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000361184711 1031776939 /nfs/dbraw/zinc/77/69/39/1031776939.db2.gz WEVORHATSOMURP-INIZCTEOSA-N 2 0 309.457 3.741 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000873256421 1031777617 /nfs/dbraw/zinc/77/76/17/1031777617.db2.gz MMBPXYNLAJZRAK-DLKVLKDVSA-N 2 0 312.379 3.668 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1SC ZINC000873259424 1031777884 /nfs/dbraw/zinc/77/78/84/1031777884.db2.gz DUTOHUPJZITIRT-LUYZLQTOSA-N 2 0 320.502 3.598 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc2cc(Br)ccc2o1 ZINC000873255763 1031778074 /nfs/dbraw/zinc/77/80/74/1031778074.db2.gz JWBFNUBLDXQMIK-KWBADKCTSA-N 2 0 323.234 3.583 20 0 DHADRP Cc1cc([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)ccc1F ZINC000873265779 1031779505 /nfs/dbraw/zinc/77/95/05/1031779505.db2.gz XPOOBOXTRJYGSM-WCMCAJIFSA-N 2 0 302.437 3.705 20 0 DHADRP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000873265003 1031780597 /nfs/dbraw/zinc/78/05/97/1031780597.db2.gz SDSNXFWJVPPIRE-VIRABCJISA-N 2 0 308.466 3.729 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000873270016 1031781204 /nfs/dbraw/zinc/78/12/04/1031781204.db2.gz WDZYODBGAMSUEA-NXEZZACHSA-N 2 0 317.296 3.549 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C3CC[NH2+]CC3)c(C)c2c1 ZINC000873268636 1031782155 /nfs/dbraw/zinc/78/21/55/1031782155.db2.gz YAVZAEATPSHQBB-ZIAGYGMSSA-N 2 0 316.445 3.789 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000873289941 1031789784 /nfs/dbraw/zinc/78/97/84/1031789784.db2.gz MMYJFSHYJRNFLH-DLBZAZTESA-N 2 0 322.880 3.539 20 0 DHADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1(C)C ZINC000361237181 1031804481 /nfs/dbraw/zinc/80/44/81/1031804481.db2.gz IUHIHEQMANUMHX-ZWKOTPCHSA-N 2 0 322.468 3.569 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000897881958 1031867344 /nfs/dbraw/zinc/86/73/44/1031867344.db2.gz HKSKTQLSPAXLSL-GGKPKWOWSA-N 2 0 308.416 3.531 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000361331286 1031868240 /nfs/dbraw/zinc/86/82/40/1031868240.db2.gz NKBNDGLQOBFKPZ-QGZVFWFLSA-N 2 0 319.468 3.576 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000561396184 1031875826 /nfs/dbraw/zinc/87/58/26/1031875826.db2.gz VPZQETGYKDNBPV-MOPGFXCFSA-N 2 0 311.473 3.961 20 0 DHADRP CC(C)C[N@H+](CCCCCC[NH3+])[C@@H]1CCCc2cccnc21 ZINC000846220719 1031932880 /nfs/dbraw/zinc/93/28/80/1031932880.db2.gz NRKAQHCWTDYGRT-GOSISDBHSA-N 2 0 303.494 3.936 20 0 DHADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCCCCC[NH3+])C3)nc2c1 ZINC000846220340 1031933014 /nfs/dbraw/zinc/93/30/14/1031933014.db2.gz GLTXRXMCKNTDJS-INIZCTEOSA-N 2 0 314.477 3.570 20 0 DHADRP CCCC[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033929 1032016756 /nfs/dbraw/zinc/01/67/56/1032016756.db2.gz MVRASKCYHTYOAV-OXJNMPFZSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000105452103 1032043902 /nfs/dbraw/zinc/04/39/02/1032043902.db2.gz YZUXRMHEZNMQKT-OAHLLOKOSA-N 2 0 300.421 3.781 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534497 1032052687 /nfs/dbraw/zinc/05/26/87/1032052687.db2.gz PYLNMGGJYFWOIC-OLZOCXBDSA-N 2 0 300.368 3.698 20 0 DHADRP [NH3+]CCc1cn([C@@H]2Cc3ccc(Cl)cc3C2)c2cc[nH+]cc12 ZINC001172717119 1033324229 /nfs/dbraw/zinc/32/42/29/1033324229.db2.gz PQNDSDSLECNTJM-MRXNPFEDSA-N 2 0 311.816 3.531 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001172708858 1033345773 /nfs/dbraw/zinc/34/57/73/1033345773.db2.gz NVTSECXYTVWSIU-IBGZPJMESA-N 2 0 314.860 3.659 20 0 DHADRP [NH3+]Cc1cn(C2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc12 ZINC001168360334 1033363476 /nfs/dbraw/zinc/36/34/76/1033363476.db2.gz OFQDXFMPYQMHFW-UHFFFAOYSA-N 2 0 317.864 3.800 20 0 DHADRP c1ccc(CC2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC001172816970 1033380884 /nfs/dbraw/zinc/38/08/84/1033380884.db2.gz PLLUCCQYWZVXMK-UHFFFAOYSA-N 2 0 300.490 3.863 20 0 DHADRP CC[NH+]1C[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@H]2C1 ZINC001172825678 1033389756 /nfs/dbraw/zinc/38/97/56/1033389756.db2.gz ZVNHMMXCIHXXEZ-JWFWCLOMSA-N 2 0 312.501 3.671 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC001172830823 1033391767 /nfs/dbraw/zinc/39/17/67/1033391767.db2.gz KFPRFPBVIDYJQC-HXUWFJFHSA-N 2 0 312.501 3.849 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172828342 1033392531 /nfs/dbraw/zinc/39/25/31/1033392531.db2.gz LBLHXZPSTCULEP-ACRUOGEOSA-N 2 0 312.501 3.834 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172828343 1033393938 /nfs/dbraw/zinc/39/39/38/1033393938.db2.gz LBLHXZPSTCULEP-NJDAHSKKSA-N 2 0 312.501 3.834 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CC2 ZINC001172833299 1033396543 /nfs/dbraw/zinc/39/65/43/1033396543.db2.gz XLZIWPJOYOADBD-QFBILLFUSA-N 2 0 302.506 3.843 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC001172836760 1033399858 /nfs/dbraw/zinc/39/98/58/1033399858.db2.gz XBXNEQMVOKRSFX-PXNSSMCTSA-N 2 0 300.490 3.706 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172867836 1033406358 /nfs/dbraw/zinc/40/63/58/1033406358.db2.gz AKEUYOZNXAYHIZ-AWEZNQCLSA-N 2 0 324.871 3.828 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@H](CCC[NH3+])C1)CC2 ZINC001172838380 1033407130 /nfs/dbraw/zinc/40/71/30/1033407130.db2.gz OQZKMQDPQRMLDU-XLIONFOSSA-N 2 0 300.490 3.693 20 0 DHADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)CCO1 ZINC000877675057 1033407545 /nfs/dbraw/zinc/40/75/45/1033407545.db2.gz VBMAJCJGEDVGAL-QZTJIDSGSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001172867717 1033407991 /nfs/dbraw/zinc/40/79/91/1033407991.db2.gz QEPUZTUDIMEJFD-ZDUSSCGKSA-N 2 0 312.860 3.684 20 0 DHADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)CCO1 ZINC000877675060 1033408083 /nfs/dbraw/zinc/40/80/83/1033408083.db2.gz VBMAJCJGEDVGAL-ZWKOTPCHSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(C[NH+](C)C)cc1)CC2 ZINC001172840683 1033410675 /nfs/dbraw/zinc/41/06/75/1033410675.db2.gz CPAUUNAIPOHHLT-JOCHJYFZSA-N 2 0 322.496 3.746 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C)CC2 ZINC001172840030 1033410814 /nfs/dbraw/zinc/41/08/14/1033410814.db2.gz YVEGHLAOJZJAAL-DBVUQKKJSA-N 2 0 300.490 3.561 20 0 DHADRP CC(C)C[N@@H+](Cc1cc2cccnc2o1)CC1CC[NH+](C)CC1 ZINC000877767473 1033440423 /nfs/dbraw/zinc/44/04/23/1033440423.db2.gz KKMPSEKUNYTGCN-UHFFFAOYSA-N 2 0 315.461 3.628 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001172881664 1033455054 /nfs/dbraw/zinc/45/50/54/1033455054.db2.gz KDPKIFYUKNTTOI-AWEZNQCLSA-N 2 0 324.921 3.848 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172918756 1033467665 /nfs/dbraw/zinc/46/76/65/1033467665.db2.gz MQJHTIOSZJGTCR-MJGOQNOKSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]([NH2+]C1(C)CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877834107 1033478467 /nfs/dbraw/zinc/47/84/67/1033478467.db2.gz NVHOCMDICMYYBD-HOCLYGCPSA-N 2 0 308.416 3.674 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C(C)C)c1 ZINC000924707597 1033501525 /nfs/dbraw/zinc/50/15/25/1033501525.db2.gz NAVJYCGVGLZBRI-UXHICEINSA-N 2 0 318.505 3.679 20 0 DHADRP [NH3+]CCC[N@H+](C1CCCCC1)C1CCC2(CCOCC2)CC1 ZINC001173039937 1033505591 /nfs/dbraw/zinc/50/55/91/1033505591.db2.gz VJZHOHHHPXXXNH-UHFFFAOYSA-N 2 0 308.510 3.709 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc12 ZINC000152405870 1033520743 /nfs/dbraw/zinc/52/07/43/1033520743.db2.gz VCAZDSPHQGLLPT-JKSUJKDBSA-N 2 0 324.468 3.983 20 0 DHADRP CCCOC1CCC([NH2+]C2CC[NH+](C(CC)CC)CC2)CC1 ZINC001173094343 1033523981 /nfs/dbraw/zinc/52/39/81/1033523981.db2.gz VPRZHHLXBYTZEU-UHFFFAOYSA-N 2 0 310.526 3.967 20 0 DHADRP CCCOC1CCC([NH2+]C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173093734 1033524248 /nfs/dbraw/zinc/52/42/48/1033524248.db2.gz ASKOZUQSPUGWGA-UHFFFAOYSA-N 2 0 310.526 3.967 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000877967612 1033533300 /nfs/dbraw/zinc/53/33/00/1033533300.db2.gz CCYYPVGJAKPNLQ-QGZVFWFLSA-N 2 0 310.526 3.634 20 0 DHADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000877970495 1033533880 /nfs/dbraw/zinc/53/38/80/1033533880.db2.gz PSAMKMSHNXWAFO-UXHICEINSA-N 2 0 316.489 3.570 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000877975328 1033536348 /nfs/dbraw/zinc/53/63/48/1033536348.db2.gz GBWFTEBKRFZTJG-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC001173101834 1033539469 /nfs/dbraw/zinc/53/94/69/1033539469.db2.gz OEDCKCKDPOWFSI-JMLCCBQJSA-N 2 0 320.452 3.892 20 0 DHADRP CCOc1cccc(CC[NH2+]C2CCC([NH+](CC)CC)CC2)c1 ZINC001173104322 1033542465 /nfs/dbraw/zinc/54/24/65/1033542465.db2.gz HOTNUCYNIQQTKS-UHFFFAOYSA-N 2 0 318.505 3.870 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCc2cccc(OC)c2)CC1 ZINC001173115174 1033548255 /nfs/dbraw/zinc/54/82/55/1033548255.db2.gz XQXPXTIEHPZWAS-UHFFFAOYSA-N 2 0 318.505 3.823 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3nc(Cl)ccc3C2)CC1 ZINC001173115002 1033549384 /nfs/dbraw/zinc/54/93/84/1033549384.db2.gz VSEUWKWFHVNQKD-UHFFFAOYSA-N 2 0 321.896 3.746 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)C[C@@H]2Cc3ccccc3O2)CC1 ZINC001173115490 1033552083 /nfs/dbraw/zinc/55/20/83/1033552083.db2.gz DFNXQDBDPYWAEG-ACBHZAAOSA-N 2 0 316.489 3.575 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878047446 1033564729 /nfs/dbraw/zinc/56/47/29/1033564729.db2.gz HCKIUPTXSJPEDM-QGZVFWFLSA-N 2 0 310.526 3.632 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C(C)C)CC2)cc1 ZINC001173234695 1033609272 /nfs/dbraw/zinc/60/92/72/1033609272.db2.gz DGVQUCWMEFXHFV-QGZVFWFLSA-N 2 0 302.506 3.890 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001173253656 1033624914 /nfs/dbraw/zinc/62/49/14/1033624914.db2.gz WPFYWHXFNWQTTJ-QGZVFWFLSA-N 2 0 300.490 3.740 20 0 DHADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286034 1033648431 /nfs/dbraw/zinc/64/84/31/1033648431.db2.gz JIZLZAZINJGGFT-INMHGKMJSA-N 2 0 312.448 3.761 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC001173242836 1033649847 /nfs/dbraw/zinc/64/98/47/1033649847.db2.gz WRXVANBJBGUIFH-QGZVFWFLSA-N 2 0 302.506 3.890 20 0 DHADRP C(CC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1)C[NH+]1CCCC1 ZINC000878296227 1033651865 /nfs/dbraw/zinc/65/18/65/1033651865.db2.gz NJVHAEZLCZNRDH-LJQANCHMSA-N 2 0 320.521 3.676 20 0 DHADRP CCSC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001173287164 1033679681 /nfs/dbraw/zinc/67/96/81/1033679681.db2.gz JZRPHDNTVMYIAG-KANFNMMFSA-N 2 0 318.530 3.913 20 0 DHADRP CCSC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001173291042 1033682053 /nfs/dbraw/zinc/68/20/53/1033682053.db2.gz JRPAGGOIDXQPJB-DSLXNQLJSA-N 2 0 318.530 3.628 20 0 DHADRP CCSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001173291044 1033683129 /nfs/dbraw/zinc/68/31/29/1033683129.db2.gz JRPAGGOIDXQPJB-JCHJZTRSSA-N 2 0 318.530 3.628 20 0 DHADRP CCSC[C@@H](C)[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001173316511 1033708738 /nfs/dbraw/zinc/70/87/38/1033708738.db2.gz XRUKXSFWSRBDEU-MRXNPFEDSA-N 2 0 312.567 3.962 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878511679 1033732130 /nfs/dbraw/zinc/73/21/30/1033732130.db2.gz GGCKUDJKVCQAHK-AABGKKOBSA-N 2 0 316.489 3.713 20 0 DHADRP CC(C)C[N@H+](C1Cc2cc(F)c(F)cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173477816 1033738524 /nfs/dbraw/zinc/73/85/24/1033738524.db2.gz XMWORJHMZNLGFX-WKILWMFISA-N 2 0 322.443 3.660 20 0 DHADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000479460236 1033766236 /nfs/dbraw/zinc/76/62/36/1033766236.db2.gz XYAVXFYENVDNML-YLJYHZDGSA-N 2 0 313.489 3.880 20 0 DHADRP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C(C)(C)c1ccccc1 ZINC000479516199 1033793907 /nfs/dbraw/zinc/79/39/07/1033793907.db2.gz UHOOWLDJFLRSGB-IPJUCJBFSA-N 2 0 300.490 3.959 20 0 DHADRP Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667503804 1033797967 /nfs/dbraw/zinc/79/79/67/1033797967.db2.gz XXRSCQFTNHDTEO-HXUWFJFHSA-N 2 0 318.424 3.913 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CC(F)(F)C1 ZINC000862284133 1033810655 /nfs/dbraw/zinc/81/06/55/1033810655.db2.gz VAHPAYQNSOZKSO-IUDNXUCKSA-N 2 0 300.437 3.807 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000479559671 1033814173 /nfs/dbraw/zinc/81/41/73/1033814173.db2.gz OSFXPSVQXGCULB-BRWVUGGUSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000862352727 1033826135 /nfs/dbraw/zinc/82/61/35/1033826135.db2.gz LDFXEWNNSUXOFI-QAPCUYQASA-N 2 0 322.443 3.922 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCC[NH+](C)C ZINC000479862562 1033938058 /nfs/dbraw/zinc/93/80/58/1033938058.db2.gz PKDWNOORGVEFAY-AWEZNQCLSA-N 2 0 300.899 3.752 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000554088279 1033960720 /nfs/dbraw/zinc/96/07/20/1033960720.db2.gz IPPBGSIKQMQCGF-WMZOPIPTSA-N 2 0 304.453 3.769 20 0 DHADRP Cc1c[nH+]ccc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000479965340 1033982969 /nfs/dbraw/zinc/98/29/69/1033982969.db2.gz GICHAPFHXRNGHS-UHFFFAOYSA-N 2 0 309.457 3.535 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c2ccccc12 ZINC000480165327 1034108143 /nfs/dbraw/zinc/10/81/43/1034108143.db2.gz YYTFEIVINJBDMS-INIZCTEOSA-N 2 0 312.457 3.985 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000480242429 1034147297 /nfs/dbraw/zinc/14/72/97/1034147297.db2.gz PXXRYSCMDFTTOJ-FTRWYGJKSA-N 2 0 316.489 3.574 20 0 DHADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952160 1034167030 /nfs/dbraw/zinc/16/70/30/1034167030.db2.gz UCSCMMXDQUEFHF-IBGZPJMESA-N 2 0 321.553 3.590 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000177733103 1034178177 /nfs/dbraw/zinc/17/81/77/1034178177.db2.gz VGGKFAGFIYFKBV-HNNXBMFYSA-N 2 0 310.441 3.534 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(C)c1 ZINC000667666946 1034223442 /nfs/dbraw/zinc/22/34/42/1034223442.db2.gz BVBNTLKNFZYUGZ-FUHWJXTLSA-N 2 0 304.478 3.698 20 0 DHADRP FC[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880235166 1034258643 /nfs/dbraw/zinc/25/86/43/1034258643.db2.gz KQGBRIGMNWEPNY-IAGOWNOFSA-N 2 0 302.453 3.520 20 0 DHADRP CCOC1CC(C[NH+]2CCC(CC)([NH+]3CCCCC3)CC2)C1 ZINC000880254971 1034268217 /nfs/dbraw/zinc/26/82/17/1034268217.db2.gz VHNGPMWTKSESFT-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Cl)nc1 ZINC000179106012 1034283440 /nfs/dbraw/zinc/28/34/40/1034283440.db2.gz NQSAUIYPRHJNKO-GJZGRUSLSA-N 2 0 309.885 3.898 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000119854576 1034292012 /nfs/dbraw/zinc/29/20/12/1034292012.db2.gz VHSGKGRRDAWUFQ-UHFFFAOYSA-N 2 0 316.489 3.610 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000480538424 1034297349 /nfs/dbraw/zinc/29/73/49/1034297349.db2.gz SCEBYTVKALQGMT-WOJBJXKFSA-N 2 0 323.569 3.597 20 0 DHADRP COc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000480604461 1034345838 /nfs/dbraw/zinc/34/58/38/1034345838.db2.gz ABNNHKVDHASOHP-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000480606441 1034348001 /nfs/dbraw/zinc/34/80/01/1034348001.db2.gz ANQKEUMSTOVVNG-CVEARBPZSA-N 2 0 322.468 3.997 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000480630569 1034352798 /nfs/dbraw/zinc/35/27/98/1034352798.db2.gz KEXJADJRDCFYIO-QFBILLFUSA-N 2 0 316.489 3.927 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000480734045 1034420656 /nfs/dbraw/zinc/42/06/56/1034420656.db2.gz CAGQESLEKJTWAH-CRAIPNDOSA-N 2 0 304.453 3.567 20 0 DHADRP Cc1ccccc1CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168364428 1034439612 /nfs/dbraw/zinc/43/96/12/1034439612.db2.gz CTLHBKWQZNLSFS-UHFFFAOYSA-N 2 0 312.501 3.782 20 0 DHADRP CC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000554979680 1034442699 /nfs/dbraw/zinc/44/26/99/1034442699.db2.gz XWISJPWZAGBSTM-OWBHPGMISA-N 2 0 324.415 3.765 20 0 DHADRP CCOc1cc(F)cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000865407798 1034631355 /nfs/dbraw/zinc/63/13/55/1034631355.db2.gz JOVPANLWPFYJGX-UHFFFAOYSA-N 2 0 316.420 3.576 20 0 DHADRP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000186469986 1034632606 /nfs/dbraw/zinc/63/26/06/1034632606.db2.gz INYXWTFPKVKYNX-BRWVUGGUSA-N 2 0 304.503 3.692 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000481183815 1034637537 /nfs/dbraw/zinc/63/75/37/1034637537.db2.gz SOKHRVUXOMKPNM-APWZRJJASA-N 2 0 318.480 3.957 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865476846 1034667284 /nfs/dbraw/zinc/66/72/84/1034667284.db2.gz SACHJVVRJHLKBK-UHFFFAOYSA-N 2 0 316.276 3.600 20 0 DHADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000192476449 1034804663 /nfs/dbraw/zinc/80/46/63/1034804663.db2.gz IHNHDGFMIZXTGN-ABSDTBQOSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192971879 1034824946 /nfs/dbraw/zinc/82/49/46/1034824946.db2.gz CNOCTERZXUVUJF-GOSISDBHSA-N 2 0 301.478 3.786 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192971890 1034825415 /nfs/dbraw/zinc/82/54/15/1034825415.db2.gz CNOCTERZXUVUJF-SFHVURJKSA-N 2 0 301.478 3.786 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000481440621 1034833025 /nfs/dbraw/zinc/83/30/25/1034833025.db2.gz VFXQGTAJXMALDS-GOSISDBHSA-N 2 0 304.865 3.934 20 0 DHADRP CCOC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193325142 1034839486 /nfs/dbraw/zinc/83/94/86/1034839486.db2.gz JDRSIYQLFWZKFH-YQQQUEKLSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000162873432 1034848368 /nfs/dbraw/zinc/84/83/68/1034848368.db2.gz IACDKSXZFUXWNW-OAGGEKHMSA-N 2 0 324.896 3.880 20 0 DHADRP CC(C)c1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168366354 1035039441 /nfs/dbraw/zinc/03/94/41/1035039441.db2.gz PDVPZVHSVJVWGE-UHFFFAOYSA-N 2 0 300.490 3.817 20 0 DHADRP c1ccc(CC[C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000482685481 1035160763 /nfs/dbraw/zinc/16/07/63/1035160763.db2.gz XRHNGBXFNHEHNL-FQEVSTJZSA-N 2 0 300.490 3.960 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830173 1035184025 /nfs/dbraw/zinc/18/40/25/1035184025.db2.gz VEWLKZILOCLWHA-CZUORRHYSA-N 2 0 310.869 3.511 20 0 DHADRP C[C@H](CC[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccccc1 ZINC000194590077 1035222081 /nfs/dbraw/zinc/22/20/81/1035222081.db2.gz OZDWEOVMAPOJGS-QZTJIDSGSA-N 2 0 311.473 3.868 20 0 DHADRP CC(C)[C@@H]1[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12CCCC2 ZINC000668228920 1035247941 /nfs/dbraw/zinc/24/79/41/1035247941.db2.gz UOAKFDIBSJETLE-SFHVURJKSA-N 2 0 310.445 3.668 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483335037 1035256937 /nfs/dbraw/zinc/25/69/37/1035256937.db2.gz INIUNVRYFACFAA-UHFFFAOYSA-N 2 0 314.473 3.536 20 0 DHADRP c1cc(N2CCC(C[NH2+]CCC3CCCCC3)CC2)cc[nH+]1 ZINC000483323953 1035258854 /nfs/dbraw/zinc/25/88/54/1035258854.db2.gz JWPQVRWEOQZVJH-UHFFFAOYSA-N 2 0 301.478 3.858 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000483738308 1035294888 /nfs/dbraw/zinc/29/48/88/1035294888.db2.gz AACXAGRDACLRKY-HZSPNIEDSA-N 2 0 312.404 3.730 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000484309310 1035329231 /nfs/dbraw/zinc/32/92/31/1035329231.db2.gz OIZUSLGKYMBKKE-CRAIPNDOSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000484478491 1035344336 /nfs/dbraw/zinc/34/43/36/1035344336.db2.gz CKMTZVICDTXMFI-AQNXPRMDSA-N 2 0 300.490 3.779 20 0 DHADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000484473906 1035344392 /nfs/dbraw/zinc/34/43/92/1035344392.db2.gz JBPDVEJLAQLWNS-RZQQEMMASA-N 2 0 309.457 3.739 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc2ccccc2n1C ZINC001177093996 1035349535 /nfs/dbraw/zinc/34/95/35/1035349535.db2.gz ZOVIBCMADFNSJZ-MRXNPFEDSA-N 2 0 301.478 3.778 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CC(C)(C)c2ccccc2)C1 ZINC001177294384 1035360333 /nfs/dbraw/zinc/36/03/33/1035360333.db2.gz IVZVJWGJTBEDRH-QZTJIDSGSA-N 2 0 302.506 3.922 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001177262252 1035361997 /nfs/dbraw/zinc/36/19/97/1035361997.db2.gz RLFFDIPQAUZAFT-UWVAXJGDSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001206302896 1035367504 /nfs/dbraw/zinc/36/75/04/1035367504.db2.gz ACLVMZWKORLGTP-OAHLLOKOSA-N 2 0 318.358 3.795 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(C)(C)C ZINC001177822137 1035391654 /nfs/dbraw/zinc/39/16/54/1035391654.db2.gz HRPFDYQBTYUHOX-OAHLLOKOSA-N 2 0 300.849 3.935 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322703 1035399785 /nfs/dbraw/zinc/39/97/85/1035399785.db2.gz HTADGAZNWNFESA-OFQRWUPVSA-N 2 0 315.486 3.849 20 0 DHADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1C(F)F ZINC000904351306 1035402971 /nfs/dbraw/zinc/40/29/71/1035402971.db2.gz XEOXXHIUTBHVMM-KGLIPLIRSA-N 2 0 312.379 3.585 20 0 DHADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000904404959 1035410209 /nfs/dbraw/zinc/41/02/09/1035410209.db2.gz CBOAACDCAYEAAD-JTQLQIEISA-N 2 0 306.759 3.530 20 0 DHADRP c1nc(C2CC2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000904416562 1035411610 /nfs/dbraw/zinc/41/16/10/1035411610.db2.gz OOPFMJKYSCTNLS-CQSZACIVSA-N 2 0 319.518 3.622 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195134342 1035414768 /nfs/dbraw/zinc/41/47/68/1035414768.db2.gz HELYVRDYDUPAJR-MJGOQNOKSA-N 2 0 324.468 3.868 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195134358 1035415031 /nfs/dbraw/zinc/41/50/31/1035415031.db2.gz HELYVRDYDUPAJR-IEBWSBKVSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139699 1035416295 /nfs/dbraw/zinc/41/62/95/1035416295.db2.gz ITUNUICBRXEJTE-WBVHZDCISA-N 2 0 300.471 3.921 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001178584897 1035435543 /nfs/dbraw/zinc/43/55/43/1035435543.db2.gz QREBZQZYESDDDJ-YTQUADARSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@H](CC[NH2+]Cc1ccc(-c2ccccc2F)s1)[NH+](C)C ZINC001179265700 1035471194 /nfs/dbraw/zinc/47/11/94/1035471194.db2.gz BKMDGQOVJIRXRZ-CYBMUJFWSA-N 2 0 306.450 3.984 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c(C)c1 ZINC001204249057 1035484468 /nfs/dbraw/zinc/48/44/68/1035484468.db2.gz LQKWYQIIPAANBI-FXAWDEMLSA-N 2 0 318.505 3.946 20 0 DHADRP C[C@@H](c1nccc2ccccc21)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001179969340 1035561222 /nfs/dbraw/zinc/56/12/22/1035561222.db2.gz BLTFFSUQMVNJHY-INIZCTEOSA-N 2 0 311.473 3.960 20 0 DHADRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(F)c1 ZINC001168465867 1035573616 /nfs/dbraw/zinc/57/36/16/1035573616.db2.gz ZGCWPNBDMCYCQB-IRXDYDNUSA-N 2 0 314.448 3.854 20 0 DHADRP C[C@@H](NCc1cc(F)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193250949 1035592526 /nfs/dbraw/zinc/59/25/26/1035592526.db2.gz SNQAAXLSEVUPRA-KGLIPLIRSA-N 2 0 308.416 3.707 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2C)[C@H](C)C1 ZINC000191003687 1035651700 /nfs/dbraw/zinc/65/17/00/1035651700.db2.gz JKUGMLFGTFPACK-CZUORRHYSA-N 2 0 314.395 3.834 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191102305 1035657172 /nfs/dbraw/zinc/65/71/72/1035657172.db2.gz LOBDZFJHMPAEIZ-HZPDHXFCSA-N 2 0 308.514 3.934 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191267016 1035672772 /nfs/dbraw/zinc/67/27/72/1035672772.db2.gz SHRAAQIDXXDZOL-UHFFFAOYSA-N 2 0 316.489 3.639 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001193649435 1035691281 /nfs/dbraw/zinc/69/12/81/1035691281.db2.gz QEGPPYFGVGRFIS-VAMGGRTRSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC[C@H]2CCCCO2)CC1 ZINC001180635430 1035734795 /nfs/dbraw/zinc/73/47/95/1035734795.db2.gz ZVNHKWJCLNVXFE-RLLQIKCJSA-N 2 0 322.537 3.968 20 0 DHADRP COc1ccc([C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000539494042 1035745011 /nfs/dbraw/zinc/74/50/11/1035745011.db2.gz VYULHQQATHCGJL-IEBWSBKVSA-N 2 0 302.462 3.610 20 0 DHADRP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000192023089 1035749319 /nfs/dbraw/zinc/74/93/19/1035749319.db2.gz BGYHLFBKFPCPHK-ZWKOTPCHSA-N 2 0 322.880 3.636 20 0 DHADRP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000539498615 1035758380 /nfs/dbraw/zinc/75/83/80/1035758380.db2.gz UXRYYFVURBUYRB-RZFLPCETSA-N 2 0 322.537 3.536 20 0 DHADRP C[NH+]1CCC(C[NH2+]CC2(c3cccc(F)c3F)CCCC2)CC1 ZINC001180885302 1035772084 /nfs/dbraw/zinc/77/20/84/1035772084.db2.gz OXIYBZPUVMJLOK-UHFFFAOYSA-N 2 0 322.443 3.708 20 0 DHADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000192570265 1035800961 /nfs/dbraw/zinc/80/09/61/1035800961.db2.gz QMSGVLLOBAHOLE-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000485708976 1035879976 /nfs/dbraw/zinc/87/99/76/1035879976.db2.gz CLSCAECCNXUUKJ-ZDUSSCGKSA-N 2 0 303.475 3.820 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205662879 1035911031 /nfs/dbraw/zinc/91/10/31/1035911031.db2.gz FCHLFWKCUVMEKX-WDEREUQCSA-N 2 0 319.251 3.939 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001168470942 1036033683 /nfs/dbraw/zinc/03/36/83/1036033683.db2.gz ZKUAPAPHDXTZIE-MRXNPFEDSA-N 2 0 314.448 3.651 20 0 DHADRP C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccccc23)[C@@H]1c1ccccc1 ZINC000485984983 1036071210 /nfs/dbraw/zinc/07/12/10/1036071210.db2.gz AYTDXWIXSUCSEM-PMACEKPBSA-N 2 0 303.409 3.514 20 0 DHADRP CCN1CCC([N@H+](C)Cc2cccc(OCC(C)C)c2)CC1 ZINC000540507543 1036085731 /nfs/dbraw/zinc/08/57/31/1036085731.db2.gz DANCTWQXZSVITG-UHFFFAOYSA-N 2 0 304.478 3.638 20 0 DHADRP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC001203263874 1036104728 /nfs/dbraw/zinc/10/47/28/1036104728.db2.gz IQFRCZJCYUCSIP-MRXNPFEDSA-N 2 0 306.519 3.912 20 0 DHADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000540596395 1036108798 /nfs/dbraw/zinc/10/87/98/1036108798.db2.gz UQSSHKUSNHJXKN-KZNAEPCWSA-N 2 0 310.526 3.680 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1(C)C ZINC000623571304 1036177891 /nfs/dbraw/zinc/17/78/91/1036177891.db2.gz SAKKCKHBHRFEIQ-JYJNAYRXSA-N 2 0 308.510 3.575 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1C ZINC000495057419 1036209365 /nfs/dbraw/zinc/20/93/65/1036209365.db2.gz GJLDUBFRWMPGIK-SOTAWHFNSA-N 2 0 300.490 3.777 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000495061909 1036216119 /nfs/dbraw/zinc/21/61/19/1036216119.db2.gz UXKPQQSQYCLQHJ-VROUVPMXSA-N 2 0 300.490 3.921 20 0 DHADRP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)C2 ZINC000541059062 1036227254 /nfs/dbraw/zinc/22/72/54/1036227254.db2.gz BTZYSPIOPHYCHW-RTBURBONSA-N 2 0 312.501 3.599 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464068872 1036260012 /nfs/dbraw/zinc/26/00/12/1036260012.db2.gz SHZJWBBDMFOQFL-MSOLQXFVSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc[nH]1 ZINC000774266287 1036270512 /nfs/dbraw/zinc/27/05/12/1036270512.db2.gz JYIKIHQLWVCJDA-OWYHZJEWSA-N 2 0 309.457 3.861 20 0 DHADRP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195534437 1036281424 /nfs/dbraw/zinc/28/14/24/1036281424.db2.gz CYDASKQOGXVQMA-HXUWFJFHSA-N 2 0 307.441 3.671 20 0 DHADRP CCC1(C[NH2+][C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000541556664 1036364115 /nfs/dbraw/zinc/36/41/15/1036364115.db2.gz NONCHNAXKANHFW-SFHVURJKSA-N 2 0 318.530 3.774 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000541737218 1036415684 /nfs/dbraw/zinc/41/56/84/1036415684.db2.gz RGYMIEGXIKMJGR-KBXCAEBGSA-N 2 0 324.896 3.664 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001182712495 1036433088 /nfs/dbraw/zinc/43/30/88/1036433088.db2.gz ANSGWRQJUWCCPG-RTBURBONSA-N 2 0 318.505 3.800 20 0 DHADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC001182901313 1036480508 /nfs/dbraw/zinc/48/05/08/1036480508.db2.gz AYJNBTVNQLIJCU-HOJAQTOUSA-N 2 0 300.490 3.953 20 0 DHADRP C[C@]1(C[NH3+])CCCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC001206550042 1036496684 /nfs/dbraw/zinc/49/66/84/1036496684.db2.gz UAZCCADPUZTVCH-OAHLLOKOSA-N 2 0 301.261 3.944 20 0 DHADRP CCCN1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046637 1036506889 /nfs/dbraw/zinc/50/68/89/1036506889.db2.gz YIFCXPBQIDVVAB-ZOBORPQBSA-N 2 0 312.910 3.967 20 0 DHADRP COc1cccc(C2([NH2+]CCC[NH+]3CCCCC3)CCC2)c1 ZINC001196374260 1036516609 /nfs/dbraw/zinc/51/66/09/1036516609.db2.gz DPCWXOHHNOUUBT-UHFFFAOYSA-N 2 0 302.462 3.540 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000669928514 1036533012 /nfs/dbraw/zinc/53/30/12/1036533012.db2.gz AXBMRVMOLOQTAP-GOSISDBHSA-N 2 0 308.510 3.530 20 0 DHADRP Fc1ccc(C2=CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000495391008 1036604216 /nfs/dbraw/zinc/60/42/16/1036604216.db2.gz KLNHZTVOOOJZAS-UFYCRDLUSA-N 2 0 314.448 3.978 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001183532899 1036624488 /nfs/dbraw/zinc/62/44/88/1036624488.db2.gz HVGGQHKJIVHYGI-NZSAHSFTSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000495421057 1036636362 /nfs/dbraw/zinc/63/63/62/1036636362.db2.gz NMEWJWXDJHICAG-BPQIPLTHSA-N 2 0 322.537 3.965 20 0 DHADRP Clc1ccc([C@H]2C[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372661 1036646578 /nfs/dbraw/zinc/64/65/78/1036646578.db2.gz ZUEDLCSYYBNZIP-QZTJIDSGSA-N 2 0 304.865 3.660 20 0 DHADRP Cc1c(CN2CCC[C@](C)([NH3+])CC2)cccc1C(F)(F)F ZINC001205280525 1036649284 /nfs/dbraw/zinc/64/92/84/1036649284.db2.gz BOPREPDMCCUNTH-HNNXBMFYSA-N 2 0 300.368 3.717 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487308217 1036649486 /nfs/dbraw/zinc/64/94/86/1036649486.db2.gz LAMBBPARSKLPKS-BSPJPZBESA-N 2 0 321.468 3.595 20 0 DHADRP CCSc1ccccc1CC[NH2+]CC1CC[NH+](CC)CC1 ZINC001183728228 1036660285 /nfs/dbraw/zinc/66/02/85/1036660285.db2.gz QLBSDMFCHYFXIA-UHFFFAOYSA-N 2 0 306.519 3.663 20 0 DHADRP C[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000668783949 1036692982 /nfs/dbraw/zinc/69/29/82/1036692982.db2.gz XVKWMKMXWKUALJ-AWEZNQCLSA-N 2 0 322.443 3.780 20 0 DHADRP c1ccc(C[C@H]2C[C@@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001184338269 1036818497 /nfs/dbraw/zinc/81/84/97/1036818497.db2.gz MBOHFBYYFIXQDD-RBUKOAKNSA-N 2 0 321.468 3.519 20 0 DHADRP C[C@@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205296669 1036836350 /nfs/dbraw/zinc/83/63/50/1036836350.db2.gz SHTPZHQEWBATTC-TZMCWYRMSA-N 2 0 315.288 3.843 20 0 DHADRP COC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925403150 1037028700 /nfs/dbraw/zinc/02/87/00/1037028700.db2.gz JGBOTCWRCZAWFT-JXFKEZNVSA-N 2 0 312.457 3.787 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488446241 1037031144 /nfs/dbraw/zinc/03/11/44/1037031144.db2.gz JXHSTUCKGJBLAE-FUHWJXTLSA-N 2 0 310.551 3.903 20 0 DHADRP CC[NH+](CC)Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000315795043 1037058925 /nfs/dbraw/zinc/05/89/25/1037058925.db2.gz ZQZCTNZWUGKHJQ-YQQQUEKLSA-N 2 0 301.478 3.566 20 0 DHADRP Cl/C=C/C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762925215 1037070440 /nfs/dbraw/zinc/07/04/40/1037070440.db2.gz FCBMOIHQYNQMRS-ONNFQVAWSA-N 2 0 304.865 3.727 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629555786 1037136903 /nfs/dbraw/zinc/13/69/03/1037136903.db2.gz DZBCSGFLGWWVSI-HOTGVXAUSA-N 2 0 305.853 3.613 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001198952797 1037172645 /nfs/dbraw/zinc/17/26/45/1037172645.db2.gz YWLZYGZUFCQSHM-JKSUJKDBSA-N 2 0 304.478 3.610 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001199045518 1037188296 /nfs/dbraw/zinc/18/82/96/1037188296.db2.gz IGQDXNMLNVKTHU-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347433121 1037188525 /nfs/dbraw/zinc/18/85/25/1037188525.db2.gz GOBBOCSNZCCUQI-GUDVDZBRSA-N 2 0 308.510 3.532 20 0 DHADRP CCC(CC)[C@H](C[NH2+]C1CCC(COC)CC1)[NH+]1CCCC1 ZINC001199144131 1037204887 /nfs/dbraw/zinc/20/48/87/1037204887.db2.gz NLEDPLJXAFYMEG-KVZIAJEVSA-N 2 0 310.526 3.682 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001235679152 1037227464 /nfs/dbraw/zinc/22/74/64/1037227464.db2.gz QDGJIJDZAOIDCY-UHFFFAOYSA-N 2 0 320.786 3.790 20 0 DHADRP Cc1cnccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2cccc(F)c2)C1 ZINC001168501209 1037235753 /nfs/dbraw/zinc/23/57/53/1037235753.db2.gz PZQNKGMZCLQIKZ-MAUKXSAKSA-N 2 0 314.404 3.613 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC001199329637 1037244992 /nfs/dbraw/zinc/24/49/92/1037244992.db2.gz XNFWBTAMDJVTJD-QRVBRYPASA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000774965251 1037297864 /nfs/dbraw/zinc/29/78/64/1037297864.db2.gz YEQQMMONZNOZOJ-YLJYHZDGSA-N 2 0 314.473 3.843 20 0 DHADRP CCc1ccccc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001199700201 1037321141 /nfs/dbraw/zinc/32/11/41/1037321141.db2.gz DUDSPAHTZAGRBE-UHFFFAOYSA-N 2 0 309.388 3.864 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccsc1 ZINC000178620465 1037328752 /nfs/dbraw/zinc/32/87/52/1037328752.db2.gz BITCCINBMOWPIM-SJLPKXTDSA-N 2 0 314.498 3.963 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001168455652 1037345708 /nfs/dbraw/zinc/34/57/08/1037345708.db2.gz HLYMVNSUUAHMHU-OAHLLOKOSA-N 2 0 300.421 3.608 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)C1 ZINC000489563302 1037489803 /nfs/dbraw/zinc/48/98/03/1037489803.db2.gz WEGSQNXCNRDWMA-QFBILLFUSA-N 2 0 316.489 3.955 20 0 DHADRP C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000348837392 1037537840 /nfs/dbraw/zinc/53/78/40/1037537840.db2.gz HQPFROHJTQFBHF-PBHICJAKSA-N 2 0 315.486 3.788 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000493881486 1037579820 /nfs/dbraw/zinc/57/98/20/1037579820.db2.gz DOQQJLRISMHYDM-PKOBYXMFSA-N 2 0 316.489 3.624 20 0 DHADRP CC1(C)[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)[C@H]2CCCO[C@@H]21 ZINC000776155592 1037606606 /nfs/dbraw/zinc/60/66/06/1037606606.db2.gz FWRNDVXDEWKFFH-QRVBRYPASA-N 2 0 322.537 3.826 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000776164316 1037627360 /nfs/dbraw/zinc/62/73/60/1037627360.db2.gz YVXPRFCSEFZKTK-HIEASXQVSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1nc2ccc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)cc2s1 ZINC000494078737 1037643427 /nfs/dbraw/zinc/64/34/27/1037643427.db2.gz LPBVKZSCQCLFSV-LSDHHAIUSA-N 2 0 303.475 3.567 20 0 DHADRP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201428632 1037670347 /nfs/dbraw/zinc/67/03/47/1037670347.db2.gz RGZHNXXHQVSZNT-JBACZVJFSA-N 2 0 310.485 3.797 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C12CCCCC2 ZINC000776171619 1037675793 /nfs/dbraw/zinc/67/57/93/1037675793.db2.gz UNGGRZRHFZUSQL-GMNCBBECSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1c[nH+]ccc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201470439 1037686888 /nfs/dbraw/zinc/68/68/88/1037686888.db2.gz SJQRZVBKBFDOFK-MOPGFXCFSA-N 2 0 305.425 3.545 20 0 DHADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000924854509 1037734583 /nfs/dbraw/zinc/73/45/83/1037734583.db2.gz HNAAWDZNYNJLFG-WOJBJXKFSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[C@@H](C)C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001201545374 1037752757 /nfs/dbraw/zinc/75/27/57/1037752757.db2.gz YDHGDHIFLCCYPP-GOSISDBHSA-N 2 0 315.505 3.806 20 0 DHADRP CCC[C@H](C)C[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001201553949 1037759094 /nfs/dbraw/zinc/75/90/94/1037759094.db2.gz QRVFNLUOLGGQGO-IBGZPJMESA-N 2 0 311.558 3.552 20 0 DHADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCc4ccccc4)C[C@H]3C2)cc1 ZINC001201597040 1037771336 /nfs/dbraw/zinc/77/13/36/1037771336.db2.gz RETMQRFADQKEHQ-SZPZYZBQSA-N 2 0 320.480 3.601 20 0 DHADRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCc4ccccc4)C[C@H]3C2)cc1 ZINC001201597042 1037774075 /nfs/dbraw/zinc/77/40/75/1037774075.db2.gz RETMQRFADQKEHQ-VXKWHMMOSA-N 2 0 320.480 3.601 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000638151595 1037779945 /nfs/dbraw/zinc/77/99/45/1037779945.db2.gz DRMOSAADVNYUMO-HKUYNNGSSA-N 2 0 308.510 3.532 20 0 DHADRP C[NH+]1CCC(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC001201663797 1037840207 /nfs/dbraw/zinc/84/02/07/1037840207.db2.gz KYQKMVIYMMPCJV-UHFFFAOYSA-N 2 0 300.490 3.673 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3ccc(OC)cc32)c1 ZINC000123920554 1037872989 /nfs/dbraw/zinc/87/29/89/1037872989.db2.gz VGFBZPBXBAYYIU-NRFANRHFSA-N 2 0 324.468 3.924 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000124155636 1037886293 /nfs/dbraw/zinc/88/62/93/1037886293.db2.gz IJTOFLGEFCEYKN-NRFANRHFSA-N 2 0 322.496 3.772 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000124388982 1037897230 /nfs/dbraw/zinc/89/72/30/1037897230.db2.gz LEDJNWZSBQKCLU-JSGCOSHPSA-N 2 0 321.534 3.884 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1)CC1CC1 ZINC000491056992 1037901193 /nfs/dbraw/zinc/90/11/93/1037901193.db2.gz CVGFUBGYIUKFLV-XLIONFOSSA-N 2 0 322.537 3.636 20 0 DHADRP CC(C)[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000570886379 1037938101 /nfs/dbraw/zinc/93/81/01/1037938101.db2.gz VHHUSNJUEKUPFR-JIRNRHONSA-N 2 0 300.490 3.983 20 0 DHADRP CC[NH+](CC)CCN1CC[NH+](CC[C@H](C)CCC=C(C)C)CC1 ZINC001201974753 1037940873 /nfs/dbraw/zinc/94/08/73/1037940873.db2.gz DJOUZWGKVQDQRF-HXUWFJFHSA-N 2 0 323.569 3.718 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000187012988 1037944036 /nfs/dbraw/zinc/94/40/36/1037944036.db2.gz WNPSXPOWXZUEGF-BBWFWOEESA-N 2 0 312.567 3.866 20 0 DHADRP COc1ccc(Cl)cc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000916834181 1037989855 /nfs/dbraw/zinc/98/98/55/1037989855.db2.gz GFOJYOQEKUVWEI-UHFFFAOYSA-N 2 0 324.896 3.950 20 0 DHADRP Cc1nc2ccc(C[NH2+]C[C@H](C)C[NH+]3CCCCC3)cc2s1 ZINC000494336971 1038051735 /nfs/dbraw/zinc/05/17/35/1038051735.db2.gz YZEJGAZFZLGPGX-AWEZNQCLSA-N 2 0 317.502 3.816 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000189110357 1038062158 /nfs/dbraw/zinc/06/21/58/1038062158.db2.gz WVYNWQJSJBCMJV-WOJBJXKFSA-N 2 0 312.501 3.863 20 0 DHADRP CC(C)O[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000571079690 1038075320 /nfs/dbraw/zinc/07/53/20/1038075320.db2.gz DGFVCASZYYEIIP-HXUWFJFHSA-N 2 0 316.489 3.672 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c(C)c1 ZINC000189269113 1038127348 /nfs/dbraw/zinc/12/73/48/1038127348.db2.gz SLMBTGPFDWULHH-QFBILLFUSA-N 2 0 304.478 3.604 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000189270868 1038127942 /nfs/dbraw/zinc/12/79/42/1038127942.db2.gz BEYQKVVHZNLIHP-FRQCXROJSA-N 2 0 304.478 3.602 20 0 DHADRP Cc1ccoc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571339653 1038130105 /nfs/dbraw/zinc/13/01/05/1038130105.db2.gz SOYAAEHULLXEDV-MOPGFXCFSA-N 2 0 310.441 3.542 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccsc1 ZINC000760712679 1038400145 /nfs/dbraw/zinc/40/01/45/1038400145.db2.gz IWPSYXXOLSGJRP-HOTGVXAUSA-N 2 0 314.498 3.994 20 0 DHADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001191070939 1038431099 /nfs/dbraw/zinc/43/10/99/1038431099.db2.gz QWCCLBGYBFGHLG-AZUAARDMSA-N 2 0 316.489 3.572 20 0 DHADRP CSC1(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC[NH+](C)CC1 ZINC000589349483 1038467359 /nfs/dbraw/zinc/46/73/59/1038467359.db2.gz FMIZWAOWWWZXMY-QAPCUYQASA-N 2 0 318.530 3.727 20 0 DHADRP Cc1ccc2c(c1)c1c(n2C2CC[NH+](CC3CC3)CC2)CC[NH2+]C1 ZINC001168391029 1038486313 /nfs/dbraw/zinc/48/63/13/1038486313.db2.gz KKNIKFAVUDPICL-UHFFFAOYSA-N 2 0 323.484 3.642 20 0 DHADRP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591163 1038619051 /nfs/dbraw/zinc/61/90/51/1038619051.db2.gz FWKDFZBUYTVKPS-OAHLLOKOSA-N 2 0 319.251 3.955 20 0 DHADRP Fc1ccc(C[C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168399373 1038629101 /nfs/dbraw/zinc/62/91/01/1038629101.db2.gz ZWEDXMGYMXEYAD-HXUWFJFHSA-N 2 0 316.464 3.707 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@@H]1C[NH3+] ZINC001205603910 1038682207 /nfs/dbraw/zinc/68/22/07/1038682207.db2.gz SNWWZCIQZAFPNM-NWDGAFQWSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205604791 1038692037 /nfs/dbraw/zinc/69/20/37/1038692037.db2.gz XBVOZUFAPANRGB-JSGCOSHPSA-N 2 0 300.368 3.512 20 0 DHADRP COc1ccc(C)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786989 1038705223 /nfs/dbraw/zinc/70/52/23/1038705223.db2.gz PZMZONVOJGVEDO-UHFFFAOYSA-N 2 0 304.478 3.556 20 0 DHADRP Cc1ccc(C)c(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590787106 1038706778 /nfs/dbraw/zinc/70/67/78/1038706778.db2.gz XDALFVDGWCGENF-UHFFFAOYSA-N 2 0 318.505 3.734 20 0 DHADRP CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000573167642 1038831590 /nfs/dbraw/zinc/83/15/90/1038831590.db2.gz RWFMTFPIIIBMAH-VQIMIIECSA-N 2 0 312.461 3.976 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413720 1038845938 /nfs/dbraw/zinc/84/59/38/1038845938.db2.gz AAJYHKUJHQJQBN-IBGZPJMESA-N 2 0 318.480 3.783 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCc2cc(F)ccc2C1)CC(C)(C)CC[NH3+] ZINC001168414584 1038982564 /nfs/dbraw/zinc/98/25/64/1038982564.db2.gz GVLTXNUTVBHKPE-KSSFIOAISA-N 2 0 306.469 3.674 20 0 DHADRP CC(C)(C)OCCC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694707 1039126889 /nfs/dbraw/zinc/12/68/89/1039126889.db2.gz DSIDCTXAPMOPSB-INIZCTEOSA-N 2 0 319.493 3.604 20 0 DHADRP C[NH2+]CC1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000574277701 1039507129 /nfs/dbraw/zinc/50/71/29/1039507129.db2.gz RKNOEOHHBXYPRQ-UHFFFAOYSA-N 2 0 315.288 3.857 20 0 DHADRP CCCCOc1ccccc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000574319406 1039603429 /nfs/dbraw/zinc/60/34/29/1039603429.db2.gz HNFKKISQHYCMHD-KRWDZBQOSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccnc1Cl ZINC000157921222 1039683866 /nfs/dbraw/zinc/68/38/66/1039683866.db2.gz YCYHUUVNJLQDST-GJZGRUSLSA-N 2 0 309.885 3.898 20 0 DHADRP CSC1(C[NH2+]C2CCC(C3CCC3)CC2)CC[NH+](C)CC1 ZINC000594944424 1039957732 /nfs/dbraw/zinc/95/77/32/1039957732.db2.gz PSAZUXNBYTUCNZ-UHFFFAOYSA-N 2 0 310.551 3.762 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc3C2)cc1 ZINC001168406426 1040157655 /nfs/dbraw/zinc/15/76/55/1040157655.db2.gz ZYEPUAJKWRKUDX-FQEVSTJZSA-N 2 0 312.432 3.534 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000608063440 1040361347 /nfs/dbraw/zinc/36/13/47/1040361347.db2.gz IKYMCYBDPSOPHV-CEXWTWQISA-N 2 0 316.489 3.685 20 0 DHADRP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000596639273 1040534574 /nfs/dbraw/zinc/53/45/74/1040534574.db2.gz TYNJVDNVAQSRJD-IYBDPMFKSA-N 2 0 306.469 3.982 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000534064195 1040692925 /nfs/dbraw/zinc/69/29/25/1040692925.db2.gz QMXQBJLIOQQMOA-FCGDIQPGSA-N 2 0 320.521 3.578 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1Cl ZINC000534270221 1040779250 /nfs/dbraw/zinc/77/92/50/1040779250.db2.gz TVFYLVXNLCETKR-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CCC2)cc1 ZINC000623490412 1040847724 /nfs/dbraw/zinc/84/77/24/1040847724.db2.gz KFXBNDBLQNTKQR-QGZVFWFLSA-N 2 0 316.489 3.579 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091312933 193038557 /nfs/dbraw/zinc/03/85/57/193038557.db2.gz GHRCQDUJTVJWEQ-NRFANRHFSA-N 2 0 324.468 3.868 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1sccc1Br ZINC000571669503 335000371 /nfs/dbraw/zinc/00/03/71/335000371.db2.gz QMMKCFUMRUQFPE-UMNHJUIQSA-N 2 0 317.296 3.679 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000105454925 194105009 /nfs/dbraw/zinc/10/50/09/194105009.db2.gz VNWBOCYIRGAZJD-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272599634 130045094 /nfs/dbraw/zinc/04/50/94/130045094.db2.gz UACRZLWUEWYCDI-JKSUJKDBSA-N 2 0 304.478 3.509 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272671645 130050903 /nfs/dbraw/zinc/05/09/03/130050903.db2.gz KRCQBGFOZWKVMM-ULQDDVLXSA-N 2 0 301.478 3.694 20 0 DHADRP CC[C@H](CSC)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272756471 130061880 /nfs/dbraw/zinc/06/18/80/130061880.db2.gz KSOCPCYOPZCBRJ-RYQLBKOJSA-N 2 0 306.519 3.628 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281305421 130851470 /nfs/dbraw/zinc/85/14/70/130851470.db2.gz RNWWSJAQHGMZCY-IBGZPJMESA-N 2 0 319.468 3.774 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cn[nH]c1 ZINC000283987613 131038553 /nfs/dbraw/zinc/03/85/53/131038553.db2.gz HEUFIVOVGNEDQI-JKSUJKDBSA-N 2 0 312.461 3.635 20 0 DHADRP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000284424590 131079943 /nfs/dbraw/zinc/07/99/43/131079943.db2.gz OVGCVSZJLGLTLT-YVWKXTFCSA-N 2 0 316.489 3.617 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000284522870 131088525 /nfs/dbraw/zinc/08/85/25/131088525.db2.gz WSSUZLMJSPYCRU-CWFSZBLJSA-N 2 0 316.489 3.509 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc3occc3c2)c1 ZINC000285574889 131181990 /nfs/dbraw/zinc/18/19/90/131181990.db2.gz WLBVPJCVBBITLY-UHFFFAOYSA-N 2 0 324.424 3.663 20 0 DHADRP CCC[C@@](C)(O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285904263 131209456 /nfs/dbraw/zinc/20/94/56/131209456.db2.gz CWGSSEQMCLYFHK-SOAGJPPSSA-N 2 0 318.505 3.570 20 0 DHADRP C[C@H](C[NH2+]CCCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000289044776 131353798 /nfs/dbraw/zinc/35/37/98/131353798.db2.gz AYYGAVZSPZLJGO-CYBMUJFWSA-N 2 0 302.384 3.740 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289557740 131395469 /nfs/dbraw/zinc/39/54/69/131395469.db2.gz IVMXQZBCXIRMEG-DYJHLDHHSA-N 2 0 304.453 3.704 20 0 DHADRP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000366661597 131399692 /nfs/dbraw/zinc/39/96/92/131399692.db2.gz DFSTWUDCDJORPA-VDHUWJSZSA-N 2 0 304.865 3.802 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2O1 ZINC000297389736 132013512 /nfs/dbraw/zinc/01/35/12/132013512.db2.gz JHFHSNBBYCFWSZ-DNVCBOLYSA-N 2 0 323.440 3.552 20 0 DHADRP Cn1cncc1CC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000297915996 132040902 /nfs/dbraw/zinc/04/09/02/132040902.db2.gz SSAKMBDARREFRX-UHFFFAOYSA-N 2 0 317.864 3.571 20 0 DHADRP Cc1cc(N2CCC([NH+]3CCCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000121545716 132156053 /nfs/dbraw/zinc/15/60/53/132156053.db2.gz MLXUVKCLCJPRDV-UHFFFAOYSA-N 2 0 313.420 3.747 20 0 DHADRP COc1cccc2c1CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000426062047 335093393 /nfs/dbraw/zinc/09/33/93/335093393.db2.gz WHQZXCFXZBANNR-VQIMIIECSA-N 2 0 318.505 3.509 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000570826329 332824622 /nfs/dbraw/zinc/82/46/22/332824622.db2.gz AGPUYLQTRHUVKS-XJKCOSOUSA-N 2 0 310.388 3.525 20 0 DHADRP CSC1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000564580324 331709398 /nfs/dbraw/zinc/70/93/98/331709398.db2.gz XPNJEIMNUIMYMV-SZMVWBNQSA-N 2 0 318.530 3.596 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)ccc1F ZINC000317361444 331734843 /nfs/dbraw/zinc/73/48/43/331734843.db2.gz ZPUWKVZGQSWHMO-HUUCEWRRSA-N 2 0 308.441 3.607 20 0 DHADRP Cc1cccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000518348846 332016806 /nfs/dbraw/zinc/01/68/06/332016806.db2.gz WTOSRUQTSKLJOO-UHFFFAOYSA-N 2 0 317.436 3.865 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312389 332023771 /nfs/dbraw/zinc/02/37/71/332023771.db2.gz SXPRKBLOASUITC-IEBWSBKVSA-N 2 0 318.530 3.975 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCCCC3)O2)C[C@H]1C ZINC000409447240 332031569 /nfs/dbraw/zinc/03/15/69/332031569.db2.gz FCXVFTNKGBLDJS-FGTMMUONSA-N 2 0 308.510 3.673 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000518475406 332061885 /nfs/dbraw/zinc/06/18/85/332061885.db2.gz CXTMVGGOGCSEPS-NTMALXAHSA-N 2 0 302.462 3.607 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC000449381085 332099246 /nfs/dbraw/zinc/09/92/46/332099246.db2.gz XPQBBZNIXFAYFQ-QGZVFWFLSA-N 2 0 300.490 3.959 20 0 DHADRP COc1ccc2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc2c1 ZINC000092253452 332122854 /nfs/dbraw/zinc/12/28/54/332122854.db2.gz CYFWIWFQIXFFOQ-QGZVFWFLSA-N 2 0 312.457 3.622 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CCCC2)CC[N@@H+]1C ZINC000181341411 332192041 /nfs/dbraw/zinc/19/20/41/332192041.db2.gz CSYWFOGZLBCIPY-PKOBYXMFSA-N 2 0 300.490 3.862 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000448029048 332201600 /nfs/dbraw/zinc/20/16/00/332201600.db2.gz POMADZYFXRJOOQ-YZLZLFLDSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)CC[N@@H+]1C ZINC000426054768 335096801 /nfs/dbraw/zinc/09/68/01/335096801.db2.gz LOYGSHULKWYFBL-LSDHHAIUSA-N 2 0 322.443 3.849 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000261770188 332269076 /nfs/dbraw/zinc/26/90/76/332269076.db2.gz VXEDUSFASRYRAK-DLBZAZTESA-N 2 0 304.478 3.567 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000560249290 332323182 /nfs/dbraw/zinc/32/31/82/332323182.db2.gz HOJOIAVZLYHOAS-HXUWFJFHSA-N 2 0 300.490 3.780 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)[C@@H](C)C1 ZINC000560265408 332326373 /nfs/dbraw/zinc/32/63/73/332326373.db2.gz MUZPXAASGAAKPS-JXFKEZNVSA-N 2 0 316.489 3.828 20 0 DHADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000564973190 332328456 /nfs/dbraw/zinc/32/84/56/332328456.db2.gz VJCLMBKIYFWXTI-KBXCAEBGSA-N 2 0 304.503 3.717 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000560544509 332356215 /nfs/dbraw/zinc/35/62/15/332356215.db2.gz OTGMBWRWQIPLCG-GMNCBBECSA-N 2 0 304.453 3.924 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000560544507 332356442 /nfs/dbraw/zinc/35/64/42/332356442.db2.gz OTGMBWRWQIPLCG-BTRQGYIVSA-N 2 0 304.453 3.924 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000566480969 332445883 /nfs/dbraw/zinc/44/58/83/332445883.db2.gz CWZQYSDZQGKIQK-CABCVRRESA-N 2 0 312.379 3.944 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c2ccccc2n1 ZINC000261830159 332453780 /nfs/dbraw/zinc/45/37/80/332453780.db2.gz XKNCGOJAJNOJPT-IBGZPJMESA-N 2 0 309.457 3.507 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427696335 332491288 /nfs/dbraw/zinc/49/12/88/332491288.db2.gz PNILTFIEUXPFAY-VQTJNVASSA-N 2 0 318.505 3.783 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]CC3(O)CCC(C)CC3)CC2)CC1 ZINC000566615219 332498478 /nfs/dbraw/zinc/49/84/78/332498478.db2.gz IFJNOBUONJGQNA-UHFFFAOYSA-N 2 0 322.537 3.560 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000561955068 332522160 /nfs/dbraw/zinc/52/21/60/332522160.db2.gz PAXOOKKWVRFIDL-UHFFFAOYSA-N 2 0 322.443 3.922 20 0 DHADRP COc1cccc(C[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000562956197 332651845 /nfs/dbraw/zinc/65/18/45/332651845.db2.gz MPBYSQKPAWBLBR-NRFANRHFSA-N 2 0 324.468 3.568 20 0 DHADRP Cc1cc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000569659791 332655296 /nfs/dbraw/zinc/65/52/96/332655296.db2.gz OGJHVBNDHOVMBM-SFHVURJKSA-N 2 0 315.848 3.714 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC[NH+](C)CC1 ZINC000569860916 332687329 /nfs/dbraw/zinc/68/73/29/332687329.db2.gz GQKKKCWEZJWISE-ZDUSSCGKSA-N 2 0 324.559 3.715 20 0 DHADRP CSCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180146264 333027333 /nfs/dbraw/zinc/02/73/33/333027333.db2.gz WFVBXZBJDRCVNW-YQQQUEKLSA-N 2 0 318.530 3.915 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000188124818 333037724 /nfs/dbraw/zinc/03/77/24/333037724.db2.gz YMXASEKHQUIXEX-GOEBONIOSA-N 2 0 320.502 3.909 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000391842085 335122110 /nfs/dbraw/zinc/12/21/10/335122110.db2.gz WQSWVTBSQUJOSB-GOSISDBHSA-N 2 0 311.473 3.867 20 0 DHADRP C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000314461446 333125362 /nfs/dbraw/zinc/12/53/62/333125362.db2.gz AYXRJDHKZUMFBC-CQSZACIVSA-N 2 0 314.395 3.917 20 0 DHADRP COc1cccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000177342045 333127398 /nfs/dbraw/zinc/12/73/98/333127398.db2.gz LAMZTVRQJFUUOB-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000314544478 333141729 /nfs/dbraw/zinc/14/17/29/333141729.db2.gz XZFJFWKMPHJLKZ-LBPRGKRZSA-N 2 0 318.383 3.824 20 0 DHADRP CC[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000319046676 333249429 /nfs/dbraw/zinc/24/94/29/333249429.db2.gz MBSRXKMIMWDIQU-RAFMOHDBSA-N 2 0 316.489 3.587 20 0 DHADRP Cc1cccc(C)c1OCCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000497480648 333255355 /nfs/dbraw/zinc/25/53/55/333255355.db2.gz UFPOXZOZGVDULY-UHFFFAOYSA-N 2 0 318.505 3.736 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000019999054 333296844 /nfs/dbraw/zinc/29/68/44/333296844.db2.gz WQDDFLWCXQEOHN-UHFFFAOYSA-N 2 0 302.849 3.952 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000390738826 333322297 /nfs/dbraw/zinc/32/22/97/333322297.db2.gz AKMGLLFLINTSAA-GUDVDZBRSA-N 2 0 318.530 3.628 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc3ccccc23)C[C@H]1C ZINC000531378885 333347445 /nfs/dbraw/zinc/34/74/45/333347445.db2.gz LTZVLLHCHRFQBM-AEFFLSMTSA-N 2 0 311.473 3.848 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)CC1 ZINC000583467927 333360068 /nfs/dbraw/zinc/36/00/68/333360068.db2.gz ZSDRRRBJKVVHLC-KYVUIXNKSA-N 2 0 320.427 3.642 20 0 DHADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000188672834 333385040 /nfs/dbraw/zinc/38/50/40/333385040.db2.gz OEBAWTVVXWWQAE-FQEVSTJZSA-N 2 0 322.537 3.704 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000390776566 333392112 /nfs/dbraw/zinc/39/21/12/333392112.db2.gz OZWBTDZPEAKLLD-PKOBYXMFSA-N 2 0 318.505 3.692 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000390776565 333392315 /nfs/dbraw/zinc/39/23/15/333392315.db2.gz OZWBTDZPEAKLLD-MJGOQNOKSA-N 2 0 318.505 3.692 20 0 DHADRP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000390785366 333393459 /nfs/dbraw/zinc/39/34/59/333393459.db2.gz VZRPVQDUCLZCJZ-VQTJNVASSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000563125487 333394566 /nfs/dbraw/zinc/39/45/66/333394566.db2.gz NVUNMBMQLWUPBP-YVWKXTFCSA-N 2 0 318.480 3.952 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000563137670 333395856 /nfs/dbraw/zinc/39/58/56/333395856.db2.gz ABVDZKYOFBAXGQ-DZGCQCFKSA-N 2 0 314.395 3.697 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000571495329 333796155 /nfs/dbraw/zinc/79/61/55/333796155.db2.gz TXTQFFHXLXUZEW-GOSISDBHSA-N 2 0 302.462 3.530 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414663526 334061969 /nfs/dbraw/zinc/06/19/69/334061969.db2.gz BFERZCGYFJRDAJ-SXLOBPIMSA-N 2 0 322.452 3.531 20 0 DHADRP CC(C)C[C@H](C)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414708180 334071930 /nfs/dbraw/zinc/07/19/30/334071930.db2.gz CNRWAFOLNHUJMC-HKUYNNGSSA-N 2 0 303.494 3.708 20 0 DHADRP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000343534265 335175687 /nfs/dbraw/zinc/17/56/87/335175687.db2.gz IOHPDQBQOCZQNM-AEFFLSMTSA-N 2 0 315.848 3.997 20 0 DHADRP CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414718771 334073458 /nfs/dbraw/zinc/07/34/58/334073458.db2.gz SLNKMYLNOVDHGN-CYBMUJFWSA-N 2 0 318.358 3.809 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414732219 334075336 /nfs/dbraw/zinc/07/53/36/334075336.db2.gz IGTITLCRXXDWPM-ZIAGYGMSSA-N 2 0 314.395 3.870 20 0 DHADRP C[C@@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414732218 334075393 /nfs/dbraw/zinc/07/53/93/334075393.db2.gz IGTITLCRXXDWPM-UONOGXRCSA-N 2 0 314.395 3.870 20 0 DHADRP C[C@H]1C[C@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414736254 334075788 /nfs/dbraw/zinc/07/57/88/334075788.db2.gz MWZZIUVANSGMHI-LSDHHAIUSA-N 2 0 322.880 3.571 20 0 DHADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCc2cccnc21 ZINC000414756420 334086032 /nfs/dbraw/zinc/08/60/32/334086032.db2.gz QSTFYMCIKUEMLB-LZLYRXPVSA-N 2 0 301.478 3.559 20 0 DHADRP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772918 334090461 /nfs/dbraw/zinc/09/04/61/334090461.db2.gz CSOKQHPIGYYVRW-HZPDHXFCSA-N 2 0 319.518 3.622 20 0 DHADRP c1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774037 334091127 /nfs/dbraw/zinc/09/11/27/334091127.db2.gz FCVCZCYMSMYOFI-WOJBJXKFSA-N 2 0 321.468 3.570 20 0 DHADRP c1ccc(CC[C@H](Cc2ccccc2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783237 334094808 /nfs/dbraw/zinc/09/48/08/334094808.db2.gz QEVYPNSVSBQTPW-OAQYLSRUSA-N 2 0 308.469 3.572 20 0 DHADRP c1c2ccccc2sc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414786279 334096127 /nfs/dbraw/zinc/09/61/27/334096127.db2.gz ULYDSPBKPGKILT-HZPDHXFCSA-N 2 0 300.471 3.723 20 0 DHADRP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C1CC[NH2+]CC1 ZINC000414787578 334096450 /nfs/dbraw/zinc/09/64/50/334096450.db2.gz ZEUVXQXGIPUEMN-QPJJXVBHSA-N 2 0 322.452 3.620 20 0 DHADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414800602 334101507 /nfs/dbraw/zinc/10/15/07/334101507.db2.gz SFSIRAOGUZEPNR-DOMZBBRYSA-N 2 0 302.384 3.599 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414805988 334103514 /nfs/dbraw/zinc/10/35/14/334103514.db2.gz QARZKXRNWRSAOO-INWMFGNUSA-N 2 0 314.395 3.916 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2)cc1 ZINC000414809899 334104792 /nfs/dbraw/zinc/10/47/92/334104792.db2.gz HGTSXHABYRFFDA-GJZGRUSLSA-N 2 0 300.421 3.956 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000414810225 334105195 /nfs/dbraw/zinc/10/51/95/334105195.db2.gz HOTFBZYKKVYACU-NILFDRSVSA-N 2 0 300.368 3.917 20 0 DHADRP c1ccc(COc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000414818488 334107199 /nfs/dbraw/zinc/10/71/99/334107199.db2.gz VWQJLZYGNUDKLS-YOFSQIOKSA-N 2 0 322.452 3.638 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821088 334108470 /nfs/dbraw/zinc/10/84/70/334108470.db2.gz KPPRCDYTJVEHSE-NILFDRSVSA-N 2 0 300.368 3.668 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414827960 334109670 /nfs/dbraw/zinc/10/96/70/334109670.db2.gz LHTFXPBACVISNX-LSTHTHJFSA-N 2 0 316.489 3.699 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414827792 334109759 /nfs/dbraw/zinc/10/97/59/334109759.db2.gz YKHPUMIBZVKTFZ-AGIUHOORSA-N 2 0 315.288 3.902 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414829426 334110351 /nfs/dbraw/zinc/11/03/51/334110351.db2.gz AUEKZVWOERTBJD-KGLIPLIRSA-N 2 0 314.395 3.616 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000414830256 334110553 /nfs/dbraw/zinc/11/05/53/334110553.db2.gz LVCZJYBGGOCGBP-CYBMUJFWSA-N 2 0 304.434 3.643 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414835249 334111348 /nfs/dbraw/zinc/11/13/48/334111348.db2.gz IDUHGBWRCURZKM-JCGIZDLHSA-N 2 0 306.881 3.955 20 0 DHADRP Fc1cccc(-c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)s2)c1 ZINC000414842832 334112899 /nfs/dbraw/zinc/11/28/99/334112899.db2.gz ZPJWQUUYXMSPJM-ZDUSSCGKSA-N 2 0 304.434 3.643 20 0 DHADRP CC(C)c1ccc([C@@H]([NH3+])CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000414843245 334113090 /nfs/dbraw/zinc/11/30/90/334113090.db2.gz JQIIYDICWVPLFR-IBGZPJMESA-N 2 0 317.521 3.662 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414847303 334119429 /nfs/dbraw/zinc/11/94/29/334119429.db2.gz IUBDEGPKRGFWGJ-OAHLLOKOSA-N 2 0 315.486 3.598 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414848087 334120401 /nfs/dbraw/zinc/12/04/01/334120401.db2.gz VSSUAIXQHBEUGJ-ZDUSSCGKSA-N 2 0 314.395 3.888 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414854447 334127988 /nfs/dbraw/zinc/12/79/88/334127988.db2.gz LVHCUCZQWJJKRO-WMZOPIPTSA-N 2 0 304.478 3.589 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414854980 334128095 /nfs/dbraw/zinc/12/80/95/334128095.db2.gz MMBPGYITWCADGQ-VNHYZAJKSA-N 2 0 314.395 3.614 20 0 DHADRP FC(F)(F)c1cccc(CCCC[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414859198 334132287 /nfs/dbraw/zinc/13/22/87/334132287.db2.gz SYNOLAVDLQRCBV-OAHLLOKOSA-N 2 0 314.395 3.617 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414863045 334133837 /nfs/dbraw/zinc/13/38/37/334133837.db2.gz XVQCMORPLNKEOQ-PXNSSMCTSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414865668 334135839 /nfs/dbraw/zinc/13/58/39/334135839.db2.gz ZLJUUVSXUPXIID-BEEJXANESA-N 2 0 300.490 3.865 20 0 DHADRP [NH3+]C1(C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CCC1 ZINC000414869179 334141584 /nfs/dbraw/zinc/14/15/84/334141584.db2.gz AHNNYHSIRYIYHP-HXUWFJFHSA-N 2 0 308.469 3.702 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414876311 334146608 /nfs/dbraw/zinc/14/66/08/334146608.db2.gz LDCPVTCQDABGCN-KCPJHIHWSA-N 2 0 300.368 3.526 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414876312 334146716 /nfs/dbraw/zinc/14/67/16/334146716.db2.gz LDCPVTCQDABGCN-UGFHNGPFSA-N 2 0 300.368 3.526 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc2occc2c1 ZINC000285414782 334147696 /nfs/dbraw/zinc/14/76/96/334147696.db2.gz JHOYMHXEEHAQHH-UHFFFAOYSA-N 2 0 324.424 3.663 20 0 DHADRP COc1ccc(C2CCC([NH2+]C[C@@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000414901385 334164628 /nfs/dbraw/zinc/16/46/28/334164628.db2.gz FWRULBPXRNXJHT-NLPFYKDJSA-N 2 0 316.489 3.701 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414916534 334177603 /nfs/dbraw/zinc/17/76/03/334177603.db2.gz OTAHFWQFJMTGNT-NWDGAFQWSA-N 2 0 301.261 3.656 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414922077 334182393 /nfs/dbraw/zinc/18/23/93/334182393.db2.gz GGPKWWKGGXGKBS-UMGGQSCQSA-N 2 0 316.489 3.969 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414922075 334182398 /nfs/dbraw/zinc/18/23/98/334182398.db2.gz GGPKWWKGGXGKBS-JYBIWHBTSA-N 2 0 316.489 3.969 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC[NH2+]1 ZINC000414928366 334191126 /nfs/dbraw/zinc/19/11/26/334191126.db2.gz AVVAEPPYVXSOEY-WMLDXEAASA-N 2 0 314.404 3.848 20 0 DHADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415082766 334272013 /nfs/dbraw/zinc/27/20/13/334272013.db2.gz MBTKWNVXMHFPRW-IXDOHACOSA-N 2 0 304.503 3.727 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414946367 334205317 /nfs/dbraw/zinc/20/53/17/334205317.db2.gz TWQSXPMKJLRCMQ-ABAIWWIYSA-N 2 0 301.261 3.514 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)cc2)cc1 ZINC000414946731 334206278 /nfs/dbraw/zinc/20/62/78/334206278.db2.gz JZAXJMBNZOVZNJ-PXNSSMCTSA-N 2 0 324.468 3.804 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000415083138 334272479 /nfs/dbraw/zinc/27/24/79/334272479.db2.gz PHAFAQCRGXPBBZ-UHFFFAOYSA-N 2 0 318.505 3.859 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952169 334207140 /nfs/dbraw/zinc/20/71/40/334207140.db2.gz QPCTVYJUJKLSDS-YWPYICTPSA-N 2 0 300.368 3.539 20 0 DHADRP Cc1cc(N)cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000414956532 334209506 /nfs/dbraw/zinc/20/95/06/334209506.db2.gz APLISWAFTUSLNJ-FOIQADDNSA-N 2 0 315.505 3.710 20 0 DHADRP c1ccc(COc2ccccc2C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414967142 334214986 /nfs/dbraw/zinc/21/49/86/334214986.db2.gz GWAVYOAQDAGCDB-FQEVSTJZSA-N 2 0 324.468 3.887 20 0 DHADRP c1ccc(COc2ccccc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414967144 334215075 /nfs/dbraw/zinc/21/50/75/334215075.db2.gz GWAVYOAQDAGCDB-HXUWFJFHSA-N 2 0 324.468 3.887 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cncc(C)c1 ZINC000467744396 334273877 /nfs/dbraw/zinc/27/38/77/334273877.db2.gz UBDFPROSSRCZPT-JENIJYKNSA-N 2 0 303.494 3.941 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415085494 334274103 /nfs/dbraw/zinc/27/41/03/334274103.db2.gz IHQOCXNHGDTHHI-CZUORRHYSA-N 2 0 314.395 3.931 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414992396 334230941 /nfs/dbraw/zinc/23/09/41/334230941.db2.gz BRDCCROZCRISJW-MJGOQNOKSA-N 2 0 324.468 3.969 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000415000615 334239947 /nfs/dbraw/zinc/23/99/47/334239947.db2.gz TVCZSMJJLCBLAO-UXHICEINSA-N 2 0 324.468 3.873 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]CCOc2ccccc2-c2ccccc2)CC[NH2+]1 ZINC000415086536 334274961 /nfs/dbraw/zinc/27/49/61/334274961.db2.gz RULAZTPZOOJUET-MSOLQXFVSA-N 2 0 324.468 3.710 20 0 DHADRP CC(C)C[C@@H]([NH3+])CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415086870 334275277 /nfs/dbraw/zinc/27/52/77/334275277.db2.gz SAUAXCKWEBLBSD-ZIAGYGMSSA-N 2 0 306.347 3.782 20 0 DHADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000415087364 334275817 /nfs/dbraw/zinc/27/58/17/334275817.db2.gz SWJMBPRHVBUPKY-PMACEKPBSA-N 2 0 312.432 3.760 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000415010657 334256496 /nfs/dbraw/zinc/25/64/96/334256496.db2.gz GOJCKWUDDDMZHO-OLZOCXBDSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000415010755 334257165 /nfs/dbraw/zinc/25/71/65/334257165.db2.gz GSAPGGOJJQRPIU-CHWSQXEVSA-N 2 0 313.283 3.660 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000415012035 334258379 /nfs/dbraw/zinc/25/83/79/334258379.db2.gz WUWSQIIELHWWCO-OCCSQVGLSA-N 2 0 300.368 3.621 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000415049748 334259034 /nfs/dbraw/zinc/25/90/34/334259034.db2.gz YBIRGVPOAHOYNC-GOEBONIOSA-N 2 0 314.395 3.745 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415021798 334259474 /nfs/dbraw/zinc/25/94/74/334259474.db2.gz KRESLDQYOPBDKA-AYOQOUSVSA-N 2 0 304.478 3.827 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036158 334260501 /nfs/dbraw/zinc/26/05/01/334260501.db2.gz FJYVPLIIOFOSNH-GOEBONIOSA-N 2 0 312.379 3.669 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000415055406 334261711 /nfs/dbraw/zinc/26/17/11/334261711.db2.gz OTQOEDGNSPFGSJ-HXUWFJFHSA-N 2 0 324.468 3.624 20 0 DHADRP c1cncc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415056981 334261787 /nfs/dbraw/zinc/26/17/87/334261787.db2.gz STSQCKGTLXKORJ-LEWJYISDSA-N 2 0 321.468 3.713 20 0 DHADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415073742 334267523 /nfs/dbraw/zinc/26/75/23/334267523.db2.gz BKRFTHJEEMQVJZ-IUODEOHRSA-N 2 0 302.384 3.599 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000187729093 334269830 /nfs/dbraw/zinc/26/98/30/334269830.db2.gz DHVFAJVFWBXZFQ-HNNXBMFYSA-N 2 0 300.421 3.608 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089729 334279623 /nfs/dbraw/zinc/27/96/23/334279623.db2.gz WQLIYMVHCJBSJO-JMSVASOKSA-N 2 0 318.358 3.797 20 0 DHADRP COc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000534543157 334280372 /nfs/dbraw/zinc/28/03/72/334280372.db2.gz IHWSQDJLSNQTLA-OAHLLOKOSA-N 2 0 310.869 3.655 20 0 DHADRP CC(C)([NH3+])C[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000415096024 334280938 /nfs/dbraw/zinc/28/09/38/334280938.db2.gz AMHWARRPNHDJIV-WPUWVODUSA-N 2 0 306.453 3.611 20 0 DHADRP CC(C)c1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415130715 334285585 /nfs/dbraw/zinc/28/55/85/334285585.db2.gz RLIGGYBNTXGWEJ-WOJBJXKFSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000531962003 334312609 /nfs/dbraw/zinc/31/26/09/334312609.db2.gz KUEKSKZEQOGWFZ-JXFKEZNVSA-N 2 0 310.441 3.909 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000534794506 334337099 /nfs/dbraw/zinc/33/70/99/334337099.db2.gz GRWLUIQTSKYRLJ-MEDUHNTESA-N 2 0 313.272 3.912 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000531979700 334351171 /nfs/dbraw/zinc/35/11/71/334351171.db2.gz FGNHEQHBERIRIW-YLJYHZDGSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000563681036 334375187 /nfs/dbraw/zinc/37/51/87/334375187.db2.gz AVOROOXUZZYOHN-OALUTQOASA-N 2 0 316.489 3.695 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000341189398 334422309 /nfs/dbraw/zinc/42/23/09/334422309.db2.gz MBRUCOVBSNMAAH-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCC3(C)C)cc2)CC1 ZINC000342815223 334580121 /nfs/dbraw/zinc/58/01/21/334580121.db2.gz ZNEBKHORTKAXOJ-IBGZPJMESA-N 2 0 316.489 3.828 20 0 DHADRP C[C@H](C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000425944019 334787755 /nfs/dbraw/zinc/78/77/55/334787755.db2.gz UYLGNVCEAPSZHA-ZIAGYGMSSA-N 2 0 316.411 3.814 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)c(Br)c1 ZINC000051694348 334801258 /nfs/dbraw/zinc/80/12/58/334801258.db2.gz YFCPTDQNCQSUJH-GCVQQVDUSA-N 2 0 315.230 3.509 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCC2 ZINC000344080856 335216248 /nfs/dbraw/zinc/21/62/48/335216248.db2.gz WPSSTCJIDSRXMW-ROUUACIJSA-N 2 0 308.510 3.580 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000344202481 335224745 /nfs/dbraw/zinc/22/47/45/335224745.db2.gz ZOPJQQHQIKUKFH-LZLYRXPVSA-N 2 0 310.445 3.634 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1sc(C)nc1C ZINC000344856336 335280170 /nfs/dbraw/zinc/28/01/70/335280170.db2.gz ZHOOFUWEDJKYER-JKSUJKDBSA-N 2 0 309.523 3.750 20 0 DHADRP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345181282 335305563 /nfs/dbraw/zinc/30/55/63/335305563.db2.gz QDSPSKBFASCPIB-AWEZNQCLSA-N 2 0 316.367 3.549 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1CCC(C)C ZINC000346179847 335378244 /nfs/dbraw/zinc/37/82/44/335378244.db2.gz PDSSINOPXMMVNY-GOSISDBHSA-N 2 0 312.461 3.976 20 0 DHADRP CC(C)N1CCc2nc(C[N@@H+]3CCC[C@H]3C(C)(C)C)sc2C1 ZINC000346135000 335379869 /nfs/dbraw/zinc/37/98/69/335379869.db2.gz GBAPHSNOCZIRBG-INIZCTEOSA-N 2 0 321.534 3.920 20 0 DHADRP Cc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc2cccnc12 ZINC000346148135 335381815 /nfs/dbraw/zinc/38/18/15/335381815.db2.gz VVINIPXHYGSOJA-UHFFFAOYSA-N 2 0 311.473 3.707 20 0 DHADRP CC(C)[N@@H+]1CCc2nc(CN3CCC(C)(C)CC3)sc2C1 ZINC000346152858 335382537 /nfs/dbraw/zinc/38/25/37/335382537.db2.gz OWTDGUPQVWQHOV-UHFFFAOYSA-N 2 0 307.507 3.532 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCCO1 ZINC000346500166 335413154 /nfs/dbraw/zinc/41/31/54/335413154.db2.gz UEOPALLTQGSPSR-XLIONFOSSA-N 2 0 316.489 3.576 20 0 DHADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1 ZINC000346830318 335444206 /nfs/dbraw/zinc/44/42/06/335444206.db2.gz ZZEQXWIMKLQOCB-HNNXBMFYSA-N 2 0 319.493 3.634 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc2cccnc12 ZINC000347096357 335470608 /nfs/dbraw/zinc/47/06/08/335470608.db2.gz HWIKCQGOAZIDJY-IBGZPJMESA-N 2 0 309.457 3.507 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000348071779 335550720 /nfs/dbraw/zinc/55/07/20/335550720.db2.gz IZRZJLQRDHNMFM-HXUWFJFHSA-N 2 0 316.489 3.784 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367081938 335643838 /nfs/dbraw/zinc/64/38/38/335643838.db2.gz WLURQHXTYSCHOS-FXAWDEMLSA-N 2 0 315.505 3.962 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(-c3ccccn3)c2)CC1 ZINC000351496198 336038443 /nfs/dbraw/zinc/03/84/43/336038443.db2.gz SOJHEFNBZDRGJK-UHFFFAOYSA-N 2 0 321.468 3.809 20 0 DHADRP c1ccc(CSCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000192602832 336180053 /nfs/dbraw/zinc/18/00/53/336180053.db2.gz PMLNTLJZOOSJKU-LJQANCHMSA-N 2 0 318.530 3.728 20 0 DHADRP Clc1cccc(Cl)c1[C@@H]([NH2+]CCn1ccnc1)C1CC1 ZINC000351983892 336185604 /nfs/dbraw/zinc/18/56/04/336185604.db2.gz VHJDBEHWVYGUNX-HNNXBMFYSA-N 2 0 310.228 3.931 20 0 DHADRP FCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000352045096 336191472 /nfs/dbraw/zinc/19/14/72/336191472.db2.gz JGHVVFHULFCDAY-LJQANCHMSA-N 2 0 304.453 3.724 20 0 DHADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352524202 336222721 /nfs/dbraw/zinc/22/27/21/336222721.db2.gz AHOPRFIPHBOABY-UHFFFAOYSA-N 2 0 320.525 3.596 20 0 DHADRP CC(C)(C)OC1CC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000352699788 336230977 /nfs/dbraw/zinc/23/09/77/336230977.db2.gz GDTWNVXZYIIEKR-UHFFFAOYSA-N 2 0 316.489 3.718 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCN2CCC(C)CC2)cc1 ZINC000532459451 336248522 /nfs/dbraw/zinc/24/85/22/336248522.db2.gz SJBKNPWJFKAMEW-IAGOWNOFSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192921309 336284373 /nfs/dbraw/zinc/28/43/73/336284373.db2.gz QKZMUEKPUMEHSO-HKUYNNGSSA-N 2 0 312.457 3.712 20 0 DHADRP Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301676039 336322774 /nfs/dbraw/zinc/32/27/74/336322774.db2.gz PZQQGFJFVZTFTF-UHFFFAOYSA-N 2 0 315.436 3.991 20 0 DHADRP Cc1nc(C)c(C)c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000301699003 336324286 /nfs/dbraw/zinc/32/42/86/336324286.db2.gz RKFIITTURXYWMA-OAHLLOKOSA-N 2 0 324.472 3.503 20 0 DHADRP CCc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000301775046 336329041 /nfs/dbraw/zinc/32/90/41/336329041.db2.gz GCHLEJIBQQGHHE-KXBFYZLASA-N 2 0 309.457 3.718 20 0 DHADRP CCCc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c2ccccc2[nH+]1 ZINC000301790551 336330096 /nfs/dbraw/zinc/33/00/96/336330096.db2.gz NFMCTUSIBDRQND-QGZVFWFLSA-N 2 0 309.457 3.862 20 0 DHADRP Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)cc[nH+]1 ZINC000302560756 336361635 /nfs/dbraw/zinc/36/16/35/336361635.db2.gz LIBKSLOHGQMXAP-UHFFFAOYSA-N 2 0 301.459 3.776 20 0 DHADRP Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2cc(F)ccc2[nH+]1 ZINC000302703437 336365714 /nfs/dbraw/zinc/36/57/14/336365714.db2.gz BTWDAQMRMBASJW-KSSFIOAISA-N 2 0 313.420 3.603 20 0 DHADRP CC(C)c1nc(NC[C@H](C)Cn2ccnc2)cc(C(C)(C)C)n1 ZINC000302776478 336368558 /nfs/dbraw/zinc/36/85/58/336368558.db2.gz FPPLKGBFRZQQIB-AWEZNQCLSA-N 2 0 315.465 3.842 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152459744 336387193 /nfs/dbraw/zinc/38/71/93/336387193.db2.gz FDWDGVLLFQLFFT-ICSRJNTNSA-N 2 0 300.490 3.718 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353495551 336420590 /nfs/dbraw/zinc/42/05/90/336420590.db2.gz INCJQPSSODIRSZ-OAHLLOKOSA-N 2 0 318.383 3.968 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC[NH+](C)CC1 ZINC000353623598 336429575 /nfs/dbraw/zinc/42/95/75/336429575.db2.gz BOJBZXLUEVPHSR-RHSMWYFYSA-N 2 0 304.503 3.652 20 0 DHADRP Cc1ccncc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000353947159 336450648 /nfs/dbraw/zinc/45/06/48/336450648.db2.gz XTYLWDFGNWUFEL-UHFFFAOYSA-N 2 0 309.457 3.666 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000356852898 336563053 /nfs/dbraw/zinc/56/30/53/336563053.db2.gz RQXXYSWBYZQCPQ-MRXNPFEDSA-N 2 0 322.880 3.875 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000356910859 336565768 /nfs/dbraw/zinc/56/57/68/336565768.db2.gz ZCEJBPFZYPQYTM-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000358018830 336606605 /nfs/dbraw/zinc/60/66/05/336606605.db2.gz JPCVDFSTNMTBHG-YLAKUSLOSA-N 2 0 316.489 3.574 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000359799401 336687874 /nfs/dbraw/zinc/68/78/74/336687874.db2.gz WGHOJHULCCCHOA-KRWDZBQOSA-N 2 0 304.478 3.577 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370305451 336882205 /nfs/dbraw/zinc/88/22/05/336882205.db2.gz KQNLETOVYYOZRM-YTQPIUFNSA-N 2 0 322.537 3.824 20 0 DHADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000370305449 336882237 /nfs/dbraw/zinc/88/22/37/336882237.db2.gz KQNLETOVYYOZRM-LNXHZJMOSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000304950016 337008341 /nfs/dbraw/zinc/00/83/41/337008341.db2.gz GDZXOBLDHMHHSG-DUXKGJEZSA-N 2 0 324.468 3.535 20 0 DHADRP CCCCCC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000375515546 337012583 /nfs/dbraw/zinc/01/25/83/337012583.db2.gz SMURFGRUWGFMOE-YOEHRIQHSA-N 2 0 309.523 3.832 20 0 DHADRP COCCC1(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCCC1 ZINC000377617140 337056432 /nfs/dbraw/zinc/05/64/32/337056432.db2.gz ADRQLBPVTMGMMO-JWTNVVGKSA-N 2 0 308.510 3.530 20 0 DHADRP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377693950 337058692 /nfs/dbraw/zinc/05/86/92/337058692.db2.gz DNZDERZPLQVAPR-FPAYPSAMSA-N 2 0 303.494 3.879 20 0 DHADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377693951 337058814 /nfs/dbraw/zinc/05/88/14/337058814.db2.gz DNZDERZPLQVAPR-NBMJBFSESA-N 2 0 303.494 3.879 20 0 DHADRP Cc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000377807924 337061665 /nfs/dbraw/zinc/06/16/65/337061665.db2.gz VENYYRAAIXQFHN-VBQJREDUSA-N 2 0 319.474 3.778 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)[C@H]1c1ccccc1 ZINC000378513529 337074806 /nfs/dbraw/zinc/07/48/06/337074806.db2.gz BJIPCDQFQDFNFL-FGTMMUONSA-N 2 0 316.489 3.615 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000360063276 337084934 /nfs/dbraw/zinc/08/49/34/337084934.db2.gz YJRBKEAVPZFXCI-RMSZVQOHSA-N 2 0 306.881 3.904 20 0 DHADRP CC(C)[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000582502661 337099206 /nfs/dbraw/zinc/09/92/06/337099206.db2.gz NNGYSCIYZPVEIU-WOJBJXKFSA-N 2 0 300.490 3.844 20 0 DHADRP COc1cccc([C@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000175707018 337147243 /nfs/dbraw/zinc/14/72/43/337147243.db2.gz IOFPOVUZMFOBOG-WMZOPIPTSA-N 2 0 302.462 3.707 20 0 DHADRP c1cn(-c2ccc(C[N@H+]3CC=C(c4ccccc4)CC3)cn2)cn1 ZINC000176981594 337154011 /nfs/dbraw/zinc/15/40/11/337154011.db2.gz QYWKKCQYFBSEEW-UHFFFAOYSA-N 2 0 316.408 3.557 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccoc1 ZINC000178222488 337161513 /nfs/dbraw/zinc/16/15/13/337161513.db2.gz QPNBIWGQAFPSJS-AWEZNQCLSA-N 2 0 304.459 3.904 20 0 DHADRP Cc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)nc2c1 ZINC000460938909 337193325 /nfs/dbraw/zinc/19/33/25/337193325.db2.gz RDHKAPZQAWVLDG-QFBILLFUSA-N 2 0 309.457 3.772 20 0 DHADRP C[C@@H](c1cnccn1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000184621350 337199464 /nfs/dbraw/zinc/19/94/64/337199464.db2.gz NDXSJZGJIDDWBS-IRXDYDNUSA-N 2 0 316.493 3.514 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000583136648 337243524 /nfs/dbraw/zinc/24/35/24/337243524.db2.gz IXLSLTCLQPCJKV-CXAGYDPISA-N 2 0 312.860 3.684 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000583220732 337277661 /nfs/dbraw/zinc/27/76/61/337277661.db2.gz VAVKAZGOHUCAKB-HKBOAZHASA-N 2 0 321.468 3.711 20 0 DHADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584665185 337379826 /nfs/dbraw/zinc/37/98/26/337379826.db2.gz CLSBDPXMWJMFFE-MJQMVNBJSA-N 2 0 302.462 3.545 20 0 DHADRP c1cc(-c2ccccc2)sc1C[NH2+]CCC[NH+]1CCCC1 ZINC000035015767 337392310 /nfs/dbraw/zinc/39/23/10/337392310.db2.gz TYQUBCZYLHEMAA-UHFFFAOYSA-N 2 0 300.471 3.991 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000045662931 337421589 /nfs/dbraw/zinc/42/15/89/337421589.db2.gz YBXJNKJNIZGFMX-HNNXBMFYSA-N 2 0 313.283 3.832 20 0 DHADRP Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420239277 337497222 /nfs/dbraw/zinc/49/72/22/337497222.db2.gz SMZIDIMDFMSQLA-OLZOCXBDSA-N 2 0 303.837 3.679 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000421385151 337529844 /nfs/dbraw/zinc/52/98/44/337529844.db2.gz NHMUNMYCKNBQKP-NXWXRZEISA-N 2 0 308.510 3.577 20 0 DHADRP CCn1c(C[NH2+][C@H](CCC[NH3+])c2ccccc2)nc2ccccc21 ZINC000571890542 337581264 /nfs/dbraw/zinc/58/12/64/337581264.db2.gz NWQKGFUYHICEAT-QGZVFWFLSA-N 2 0 322.456 3.626 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000262020361 337614330 /nfs/dbraw/zinc/61/43/30/337614330.db2.gz WDGFRBITIBAZIS-CYBMUJFWSA-N 2 0 318.408 3.731 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421819214 337648673 /nfs/dbraw/zinc/64/86/73/337648673.db2.gz FUHBKZFRGOIJEZ-CYBMUJFWSA-N 2 0 312.860 3.874 20 0 DHADRP c1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422698937 337683433 /nfs/dbraw/zinc/68/34/33/337683433.db2.gz BVEWFAADFZKMCU-YZGWKJHDSA-N 2 0 309.457 3.635 20 0 DHADRP C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]C1 ZINC000422720357 337684084 /nfs/dbraw/zinc/68/40/84/337684084.db2.gz SISXORQNQIASFV-ZOWXZIJZSA-N 2 0 310.894 3.855 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000422719543 337684128 /nfs/dbraw/zinc/68/41/28/337684128.db2.gz YQANPIXCQGYVSH-HOCLYGCPSA-N 2 0 311.473 3.866 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c2ccccn2)cc1 ZINC000422746351 337684812 /nfs/dbraw/zinc/68/48/12/337684812.db2.gz NTKHDPHFDIITOK-FXAWDEMLSA-N 2 0 311.473 3.781 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422751582 337685131 /nfs/dbraw/zinc/68/51/31/337685131.db2.gz BOTIVTZATGJCLB-JMVFIXPQSA-N 2 0 314.473 3.658 20 0 DHADRP CCC(CC)(CN[C@H](C)C[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422756772 337685269 /nfs/dbraw/zinc/68/52/69/337685269.db2.gz HJGINWCHLKZLJO-ZACQAIPSSA-N 2 0 305.510 3.611 20 0 DHADRP c1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422764931 337685661 /nfs/dbraw/zinc/68/56/61/337685661.db2.gz VOQAPXBNRILOCD-KSZLIROESA-N 2 0 304.503 3.679 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000422772670 337685801 /nfs/dbraw/zinc/68/58/01/337685801.db2.gz XLQNKSRDJYHYBA-YRISNDGFSA-N 2 0 323.484 3.911 20 0 DHADRP COC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422773001 337685804 /nfs/dbraw/zinc/68/58/04/337685804.db2.gz ZZZITFCSZMOYRL-IUODEOHRSA-N 2 0 318.383 3.500 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422795212 337686919 /nfs/dbraw/zinc/68/69/19/337686919.db2.gz ZZKUESCOHIWFKO-NDUPCHFUSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000422804194 337687328 /nfs/dbraw/zinc/68/73/28/337687328.db2.gz DUYMJJXREMVBQY-TWOQFEAHSA-N 2 0 309.457 3.787 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000422815363 337687879 /nfs/dbraw/zinc/68/78/79/337687879.db2.gz XMZNGALRQOPEIU-VQXHTEKXSA-N 2 0 321.412 3.720 20 0 DHADRP CC[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccccc1Cl ZINC000422837060 337688679 /nfs/dbraw/zinc/68/86/79/337688679.db2.gz LEVDLBHAUYTYET-NRXISQOPSA-N 2 0 310.869 3.605 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422870378 337689457 /nfs/dbraw/zinc/68/94/57/337689457.db2.gz YRCCWSWWFSNIQS-RTWAWAEBSA-N 2 0 324.468 3.620 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422875086 337689566 /nfs/dbraw/zinc/68/95/66/337689566.db2.gz BSCRUQNWSYXVNR-MRXNPFEDSA-N 2 0 306.494 3.716 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422910728 337691014 /nfs/dbraw/zinc/69/10/14/337691014.db2.gz RPDUXKGLDFPKOE-WMLDXEAASA-N 2 0 306.881 3.739 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422912191 337691138 /nfs/dbraw/zinc/69/11/38/337691138.db2.gz MOILEVJCVDTLHB-HNNXBMFYSA-N 2 0 311.473 3.768 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000422918877 337691374 /nfs/dbraw/zinc/69/13/74/337691374.db2.gz IPXBJLCWCMEOBG-FUHWJXTLSA-N 2 0 308.510 3.626 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932639 337692295 /nfs/dbraw/zinc/69/22/95/337692295.db2.gz GEIQSDYCOSDYSS-YOEHRIQHSA-N 2 0 310.869 3.606 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000422937932 337692588 /nfs/dbraw/zinc/69/25/88/337692588.db2.gz DIJAQRSTGQRECJ-ZDUSSCGKSA-N 2 0 317.864 3.786 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1OCC(C)C ZINC000422942404 337692807 /nfs/dbraw/zinc/69/28/07/337692807.db2.gz PSJGCXMPDWOAHZ-GJZGRUSLSA-N 2 0 308.466 3.508 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cccc2ccccc21 ZINC000422943336 337692846 /nfs/dbraw/zinc/69/28/46/337692846.db2.gz YBYVHPZFAIBMAI-HTAPYJJXSA-N 2 0 318.464 3.930 20 0 DHADRP Clc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422943824 337692874 /nfs/dbraw/zinc/69/28/74/337692874.db2.gz LAHHMCQGXNTRBS-RCCFBDPRSA-N 2 0 306.881 3.783 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(C)c2)CCCCC1 ZINC000422900943 337693348 /nfs/dbraw/zinc/69/33/48/337693348.db2.gz RCSRWUDPVXVZLO-IBGZPJMESA-N 2 0 318.505 3.540 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422978496 337693452 /nfs/dbraw/zinc/69/34/52/337693452.db2.gz HMJWDYSYZIEIOK-VAMGGRTRSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422984747 337693715 /nfs/dbraw/zinc/69/37/15/337693715.db2.gz ZAYBWAWFSLHLQA-LPHOPBHVSA-N 2 0 304.478 3.578 20 0 DHADRP CC(C)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423002452 337694188 /nfs/dbraw/zinc/69/41/88/337694188.db2.gz ZAANNPRCIZDRES-ABAIWWIYSA-N 2 0 300.368 3.600 20 0 DHADRP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000841 337694280 /nfs/dbraw/zinc/69/42/80/337694280.db2.gz VTJFWKPCAPHTHH-VQIQGZIGSA-N 2 0 314.473 3.558 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000422950174 337694381 /nfs/dbraw/zinc/69/43/81/337694381.db2.gz XGLSDJFTDYGVBO-LBPRGKRZSA-N 2 0 311.267 3.545 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422951058 337694536 /nfs/dbraw/zinc/69/45/36/337694536.db2.gz XGUYMHIEBLNCNM-ILXRZTDVSA-N 2 0 308.466 3.651 20 0 DHADRP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423007875 337695456 /nfs/dbraw/zinc/69/54/56/337695456.db2.gz YWLWRDWASSVVMN-IXDOHACOSA-N 2 0 306.519 3.762 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423052493 337697320 /nfs/dbraw/zinc/69/73/20/337697320.db2.gz QMYAFHLJMXDDBC-LBPRGKRZSA-N 2 0 300.849 3.864 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423057625 337697505 /nfs/dbraw/zinc/69/75/05/337697505.db2.gz HNVSNTQXVGIHJJ-WOSRLPQWSA-N 2 0 314.395 3.787 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423055733 337697534 /nfs/dbraw/zinc/69/75/34/337697534.db2.gz WYCVOCYJEABKOB-LSDHHAIUSA-N 2 0 300.446 3.842 20 0 DHADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423056179 337697586 /nfs/dbraw/zinc/69/75/86/337697586.db2.gz FLVLYRRPLLMGDQ-GUDVDZBRSA-N 2 0 315.505 3.542 20 0 DHADRP Cn1cc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c2ccc(Cl)cc21 ZINC000423058037 337697737 /nfs/dbraw/zinc/69/77/37/337697737.db2.gz BJFWTXZFECUNHI-SJORKVTESA-N 2 0 319.880 3.624 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423068653 337698117 /nfs/dbraw/zinc/69/81/17/337698117.db2.gz KJFARHGUPSSXES-SWLSCSKDSA-N 2 0 314.395 3.700 20 0 DHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092788 337699084 /nfs/dbraw/zinc/69/90/84/337699084.db2.gz DLNNBGWCYYRYPB-NZMUHZMNSA-N 2 0 302.437 3.582 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423098636 337699319 /nfs/dbraw/zinc/69/93/19/337699319.db2.gz CZYUPKLJEFZXEL-RWSFTLGLSA-N 2 0 316.367 3.752 20 0 DHADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423054618 337699975 /nfs/dbraw/zinc/69/99/75/337699975.db2.gz BXHOUZHLOWEJQD-IPMKNSEASA-N 2 0 318.530 3.950 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423119481 337700467 /nfs/dbraw/zinc/70/04/67/337700467.db2.gz CMXMLPZZETZXBA-ZFWWWQNUSA-N 2 0 302.384 3.515 20 0 DHADRP [NH3+]CC1CCC([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000423132370 337701118 /nfs/dbraw/zinc/70/11/18/337701118.db2.gz JCLCXGPMUMPCQC-AVVWSFFYSA-N 2 0 314.395 3.830 20 0 DHADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423134183 337701119 /nfs/dbraw/zinc/70/11/19/337701119.db2.gz DLYRZKOGSIKKLG-JQHSSLGASA-N 2 0 306.881 3.701 20 0 DHADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423142445 337701427 /nfs/dbraw/zinc/70/14/27/337701427.db2.gz VFRJOIPIZPMWTR-IRXDYDNUSA-N 2 0 303.494 3.568 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423140666 337701430 /nfs/dbraw/zinc/70/14/30/337701430.db2.gz ZBFZXMXJGGFEEY-XHSDSOJGSA-N 2 0 314.395 3.843 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155974 337702040 /nfs/dbraw/zinc/70/20/40/337702040.db2.gz KIDQCYXINBDBQA-XKGZKEIXSA-N 2 0 314.473 3.967 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423198405 337703526 /nfs/dbraw/zinc/70/35/26/337703526.db2.gz FTFIIGUSFKMLEX-NSHDSACASA-N 2 0 306.397 3.601 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423212479 337704375 /nfs/dbraw/zinc/70/43/75/337704375.db2.gz LZPVFCRNLOTAQY-CVEARBPZSA-N 2 0 313.489 3.813 20 0 DHADRP C[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000423214339 337704576 /nfs/dbraw/zinc/70/45/76/337704576.db2.gz LHBVNJDQDVKSNZ-SJORKVTESA-N 2 0 323.569 3.643 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423255781 337707738 /nfs/dbraw/zinc/70/77/38/337707738.db2.gz ATUBAKHZHBAXCV-IFXJQAMLSA-N 2 0 300.446 3.745 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423259586 337707919 /nfs/dbraw/zinc/70/79/19/337707919.db2.gz OIUMIGFWGFURSQ-JKSUJKDBSA-N 2 0 312.457 3.889 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423264770 337708274 /nfs/dbraw/zinc/70/82/74/337708274.db2.gz YZFRKIIHDHDDOK-BBRMVZONSA-N 2 0 310.869 3.779 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000423281587 337709382 /nfs/dbraw/zinc/70/93/82/337709382.db2.gz VUPVUSTXWABNPN-WMLDXEAASA-N 2 0 302.487 3.785 20 0 DHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cnn1C(C)(C)C ZINC000423291922 337710089 /nfs/dbraw/zinc/71/00/89/337710089.db2.gz KOMXEMSRORBBNI-UONOGXRCSA-N 2 0 314.477 3.817 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423301768 337711071 /nfs/dbraw/zinc/71/10/71/337711071.db2.gz GJLASLTZOCEDSP-PXAZEXFGSA-N 2 0 306.812 3.753 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000423318138 337711680 /nfs/dbraw/zinc/71/16/80/337711680.db2.gz CDLFVEUYEHLOCS-WFASDCNBSA-N 2 0 316.367 3.626 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCC[NH3+] ZINC000423318345 337711703 /nfs/dbraw/zinc/71/17/03/337711703.db2.gz BNTCBJGYPICPRW-CYBMUJFWSA-N 2 0 303.475 3.816 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423330442 337712306 /nfs/dbraw/zinc/71/23/06/337712306.db2.gz NTONPRXKWXRSCG-DOMZBBRYSA-N 2 0 300.368 3.746 20 0 DHADRP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423332953 337712471 /nfs/dbraw/zinc/71/24/71/337712471.db2.gz HMZPQWCYFBTEGA-YJBOKZPZSA-N 2 0 316.489 3.705 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423333421 337712595 /nfs/dbraw/zinc/71/25/95/337712595.db2.gz RSJPKTLYZZPYTR-DZGCQCFKSA-N 2 0 300.368 3.670 20 0 DHADRP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423344553 337713181 /nfs/dbraw/zinc/71/31/81/337713181.db2.gz NBRRVGIRNOUUKX-KRWDZBQOSA-N 2 0 322.880 3.945 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423368980 337714758 /nfs/dbraw/zinc/71/47/58/337714758.db2.gz DPJVTVMTTFBPJW-PXNSSMCTSA-N 2 0 321.468 3.809 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000423366272 337714776 /nfs/dbraw/zinc/71/47/76/337714776.db2.gz CJRLDJJKPNIIMW-DNMXQMFDSA-N 2 0 320.452 3.591 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423369567 337715034 /nfs/dbraw/zinc/71/50/34/337715034.db2.gz FDTWQUIKYWXKLR-KKUMJFAQSA-N 2 0 311.267 3.760 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000423399779 337715590 /nfs/dbraw/zinc/71/55/90/337715590.db2.gz VAEKLTYSSOLYPW-ZWKOTPCHSA-N 2 0 316.395 3.914 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000423405175 337716025 /nfs/dbraw/zinc/71/60/25/337716025.db2.gz ZPVUVMIYCDSOQB-PVAVHDDUSA-N 2 0 320.477 3.665 20 0 DHADRP COCC1(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)CC[NH2+]CC1 ZINC000423377403 337717308 /nfs/dbraw/zinc/71/73/08/337717308.db2.gz BQLVIPJPOZMBIG-INIZCTEOSA-N 2 0 318.505 3.651 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000423375714 337717328 /nfs/dbraw/zinc/71/73/28/337717328.db2.gz ITNJZCXDFQVDAF-JMSVASOKSA-N 2 0 311.267 3.760 20 0 DHADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386669 337717955 /nfs/dbraw/zinc/71/79/55/337717955.db2.gz MHRUPGDNYNDIEQ-VQTJNVASSA-N 2 0 310.416 3.855 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423388210 337718274 /nfs/dbraw/zinc/71/82/74/337718274.db2.gz NHKHLUZRHKUXAL-IACUBPJLSA-N 2 0 314.445 3.964 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423431249 337718764 /nfs/dbraw/zinc/71/87/64/337718764.db2.gz IPEKLHHNKKHZNA-CWRNSKLLSA-N 2 0 322.905 3.855 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423446344 337719577 /nfs/dbraw/zinc/71/95/77/337719577.db2.gz CNCLDSSGWPLOCS-KUHUBIRLSA-N 2 0 309.413 3.634 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423451969 337720009 /nfs/dbraw/zinc/72/00/09/337720009.db2.gz JBYRZKBSUMEEBH-GJZGRUSLSA-N 2 0 301.478 3.941 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000423465397 337720799 /nfs/dbraw/zinc/72/07/99/337720799.db2.gz RQGJLRXCSIOTPG-RWMBFGLXSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423468138 337720906 /nfs/dbraw/zinc/72/09/06/337720906.db2.gz JLGZHVRROVFLIT-LZLYRXPVSA-N 2 0 302.462 3.624 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000423468978 337720973 /nfs/dbraw/zinc/72/09/73/337720973.db2.gz KCDWLEONPQHZKT-SIUPPRGNSA-N 2 0 304.453 3.543 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423469783 337721030 /nfs/dbraw/zinc/72/10/30/337721030.db2.gz VUYDFRVTQVANJB-DWIPRVAHSA-N 2 0 320.864 3.659 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000423470544 337721156 /nfs/dbraw/zinc/72/11/56/337721156.db2.gz WLXXSAQXLYJHHM-YWPYICTPSA-N 2 0 300.368 3.874 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423474432 337721464 /nfs/dbraw/zinc/72/14/64/337721464.db2.gz HHZVEPOWEJENAS-FUHWJXTLSA-N 2 0 304.478 3.904 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)c(C)c2c1 ZINC000423492913 337722659 /nfs/dbraw/zinc/72/26/59/337722659.db2.gz PAAPPVBGOKZFBJ-BFHYXJOUSA-N 2 0 302.418 3.528 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)cs1 ZINC000423491458 337722690 /nfs/dbraw/zinc/72/26/90/337722690.db2.gz ZBRODNJRONVHTL-CMPLNLGQSA-N 2 0 317.296 3.693 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423506360 337723676 /nfs/dbraw/zinc/72/36/76/337723676.db2.gz ILPSRDYBGAZWIV-DZGCQCFKSA-N 2 0 304.459 3.888 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423508062 337723811 /nfs/dbraw/zinc/72/38/11/337723811.db2.gz NIZZVALLZURFOK-XNRPHZJLSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423522122 337724538 /nfs/dbraw/zinc/72/45/38/337724538.db2.gz XKWHNXVTVPJINY-YDHLFZDLSA-N 2 0 301.459 3.588 20 0 DHADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2CCCF)C2CC3CC(C2)CC1C3 ZINC000423531759 337724587 /nfs/dbraw/zinc/72/45/87/337724587.db2.gz UAXGQBOMRDVJBS-HWZUTKJVSA-N 2 0 308.485 3.648 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534825 337724850 /nfs/dbraw/zinc/72/48/50/337724850.db2.gz AYPBJFGPRWFMDY-CYBMUJFWSA-N 2 0 308.853 3.699 20 0 DHADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423535617 337724880 /nfs/dbraw/zinc/72/48/80/337724880.db2.gz DRUMBDHEQXONAJ-OAHLLOKOSA-N 2 0 310.388 3.639 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423537550 337725029 /nfs/dbraw/zinc/72/50/29/337725029.db2.gz DBHZINGIWXKOFR-ROYATCLZSA-N 2 0 323.484 3.831 20 0 DHADRP Clc1ccc([C@H]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)C2)cc1 ZINC000423546055 337725333 /nfs/dbraw/zinc/72/53/33/337725333.db2.gz YJWUGNFYJVFNNR-FUHWJXTLSA-N 2 0 304.865 3.876 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000423545314 337725334 /nfs/dbraw/zinc/72/53/34/337725334.db2.gz PDUNTDFIPRIJAU-VVHHDAOASA-N 2 0 324.468 3.887 20 0 DHADRP Clc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000423549121 337725388 /nfs/dbraw/zinc/72/53/88/337725388.db2.gz RWIXFBKOOUWUOX-BURFUSLBSA-N 2 0 304.865 3.769 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423553949 337725483 /nfs/dbraw/zinc/72/54/83/337725483.db2.gz WJHFHJUHYWTGQR-SPWCGHHHSA-N 2 0 321.534 3.788 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423555051 337725495 /nfs/dbraw/zinc/72/54/95/337725495.db2.gz XRFKQHLEUSRJSX-WCIQWLHISA-N 2 0 300.490 3.622 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527652140 337756285 /nfs/dbraw/zinc/75/62/85/337756285.db2.gz BRJCVPYHLSMJNG-UHFFFAOYSA-N 2 0 320.424 3.979 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527859224 337769591 /nfs/dbraw/zinc/76/95/91/337769591.db2.gz OAJBXPHXYFLZCK-QGZVFWFLSA-N 2 0 310.844 3.788 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424255455 337812789 /nfs/dbraw/zinc/81/27/89/337812789.db2.gz HXHBNJCAROCWOK-QGZVFWFLSA-N 2 0 317.502 3.748 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]CCC1CC[NH+](CC)CC1)CCC2 ZINC000121731815 337898573 /nfs/dbraw/zinc/89/85/73/337898573.db2.gz CFUHXZLIBOZALG-OAHLLOKOSA-N 2 0 321.534 3.795 20 0 DHADRP CC(C)Cc1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000092381393 337903225 /nfs/dbraw/zinc/90/32/25/337903225.db2.gz GZPWXQDAZIFMBM-UHFFFAOYSA-N 2 0 309.523 3.505 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000516127338 338004643 /nfs/dbraw/zinc/00/46/43/338004643.db2.gz DCHMJRIUHBAYIW-RTBURBONSA-N 2 0 315.505 3.738 20 0 DHADRP CCOC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000516497243 338013800 /nfs/dbraw/zinc/01/38/00/338013800.db2.gz LKIJCPMQKKSYED-PKOBYXMFSA-N 2 0 322.537 3.968 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000426058165 338020160 /nfs/dbraw/zinc/02/01/60/338020160.db2.gz AFNREKMDJCTANZ-PBHICJAKSA-N 2 0 322.443 3.706 20 0 DHADRP CCCc1csc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000426422614 338031817 /nfs/dbraw/zinc/03/18/17/338031817.db2.gz VSFTYBAKAIREOP-WMLDXEAASA-N 2 0 319.518 3.544 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)CC2(OC)CCC2)cc1 ZINC000429371317 338078820 /nfs/dbraw/zinc/07/88/20/338078820.db2.gz HPZPZJRPKZPOLW-QGZVFWFLSA-N 2 0 318.505 3.966 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430123308 338098021 /nfs/dbraw/zinc/09/80/21/338098021.db2.gz QBIULBNJXKTJDF-MRXNPFEDSA-N 2 0 312.379 3.541 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431040025 338121104 /nfs/dbraw/zinc/12/11/04/338121104.db2.gz UVZPCCOYBJBFKN-ZDUSSCGKSA-N 2 0 323.278 3.586 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000431333430 338128211 /nfs/dbraw/zinc/12/82/11/338128211.db2.gz OPWHBFOHYMDCMF-MRXNPFEDSA-N 2 0 310.869 3.794 20 0 DHADRP C[C@@H](CCSc1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000431609022 338134645 /nfs/dbraw/zinc/13/46/45/338134645.db2.gz WNGWFFUZRUBRNO-INIZCTEOSA-N 2 0 306.519 3.831 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)cc1 ZINC000432411546 338155207 /nfs/dbraw/zinc/15/52/07/338155207.db2.gz ZBKNKVQTQOXTJH-HZPDHXFCSA-N 2 0 322.518 3.560 20 0 DHADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432413441 338155388 /nfs/dbraw/zinc/15/53/88/338155388.db2.gz MOEYIJGXGUIWCC-LMMKCTJWSA-N 2 0 316.489 3.634 20 0 DHADRP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432426516 338156233 /nfs/dbraw/zinc/15/62/33/338156233.db2.gz RWVOLQSJTYXZCC-ZWKOTPCHSA-N 2 0 318.505 3.962 20 0 DHADRP COc1c(Cl)cc(Cl)cc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000435436226 338240062 /nfs/dbraw/zinc/24/00/62/338240062.db2.gz FDYZXGGUUYIDIK-ZDUSSCGKSA-N 2 0 317.260 3.576 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436226496 338262395 /nfs/dbraw/zinc/26/23/95/338262395.db2.gz IMVGZAMOUFRZSJ-PMACEKPBSA-N 2 0 300.490 3.719 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436272359 338264741 /nfs/dbraw/zinc/26/47/41/338264741.db2.gz GUGPDPJHTAMUJS-QUCCMNQESA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H](CC[NH2+]Cc1cc2c(cccc2F)[nH]1)[NH+]1CCCCC1 ZINC000436409661 338271509 /nfs/dbraw/zinc/27/15/09/338271509.db2.gz ALXSMBWBNKPHFA-CQSZACIVSA-N 2 0 303.425 3.661 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000438085338 338330530 /nfs/dbraw/zinc/33/05/30/338330530.db2.gz BLDCFWDLEVUGMZ-IAGOWNOFSA-N 2 0 306.469 3.858 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCOc2ccccc2)[C@@H](C)C1 ZINC000438116878 338332972 /nfs/dbraw/zinc/33/29/72/338332972.db2.gz KQIYQYJZIBTUFL-AZUAARDMSA-N 2 0 318.505 3.898 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCOc2ccccc2)[C@H](C)C1 ZINC000438116885 338333064 /nfs/dbraw/zinc/33/30/64/338333064.db2.gz KQIYQYJZIBTUFL-UYAOXDASSA-N 2 0 318.505 3.898 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000438121376 338333418 /nfs/dbraw/zinc/33/34/18/338333418.db2.gz OUECAFGJHLUFIM-MDYRTPRTSA-N 2 0 316.464 3.878 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000438202708 338336439 /nfs/dbraw/zinc/33/64/39/338336439.db2.gz QEIWSUXIKSBZMO-GXTWGEPZSA-N 2 0 304.400 3.714 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438201385 338336453 /nfs/dbraw/zinc/33/64/53/338336453.db2.gz PUQBKJNJZAHWBJ-VQTJNVASSA-N 2 0 300.490 3.818 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](COC)C1CCCC1 ZINC000446746409 338534595 /nfs/dbraw/zinc/53/45/95/338534595.db2.gz UMERWWRZYCZDKK-HXUWFJFHSA-N 2 0 318.505 3.823 20 0 DHADRP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000446750044 338534830 /nfs/dbraw/zinc/53/48/30/338534830.db2.gz FCDYSAYOLUQALN-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000447571105 338557769 /nfs/dbraw/zinc/55/77/69/338557769.db2.gz XGYJNWQFPGKHFI-OAQYLSRUSA-N 2 0 312.501 3.780 20 0 DHADRP COc1cc2ccccc2cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000449011754 338582991 /nfs/dbraw/zinc/58/29/91/338582991.db2.gz ULZLZMVRFWRVRI-UHFFFAOYSA-N 2 0 312.457 3.622 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000449205221 338602370 /nfs/dbraw/zinc/60/23/70/338602370.db2.gz NLIDBQNBGFRPCK-VNSJNIRKSA-N 2 0 310.432 3.778 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000449403693 338621363 /nfs/dbraw/zinc/62/13/63/338621363.db2.gz RBLIEONQHRDNGO-ISARSNTHSA-N 2 0 310.526 3.680 20 0 DHADRP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000449741553 338649545 /nfs/dbraw/zinc/64/95/45/338649545.db2.gz KWVLFWSOWDMMCA-PKOBYXMFSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)c1ccncc1 ZINC000453131706 338797735 /nfs/dbraw/zinc/79/77/35/338797735.db2.gz PPRIOCONBQYOSI-LJQANCHMSA-N 2 0 303.494 3.880 20 0 DHADRP CCCCC[N@H+](CCc1cncn1C)Cc1ccc(F)cc1 ZINC000459287128 339019482 /nfs/dbraw/zinc/01/94/82/339019482.db2.gz DWZWKPQNWLTABH-UHFFFAOYSA-N 2 0 303.425 3.794 20 0 DHADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cc[nH+]1 ZINC000459379015 339025746 /nfs/dbraw/zinc/02/57/46/339025746.db2.gz OROKOQRACHIHCE-ZIFCJYIRSA-N 2 0 313.489 3.999 20 0 DHADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459409627 339027610 /nfs/dbraw/zinc/02/76/10/339027610.db2.gz RDTLIIQUULVOQU-VQIMIIECSA-N 2 0 301.478 3.999 20 0 DHADRP Cc1ccc(C[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000459414829 339027860 /nfs/dbraw/zinc/02/78/60/339027860.db2.gz OTTLMOUIDHKOAQ-SFHVURJKSA-N 2 0 323.484 3.888 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459426606 339028464 /nfs/dbraw/zinc/02/84/64/339028464.db2.gz MKZVIJRZYDBEQG-KKXNLOMOSA-N 2 0 300.490 3.817 20 0 DHADRP CC1CCC(C)(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459517607 339033791 /nfs/dbraw/zinc/03/37/91/339033791.db2.gz CZAASHSZVHMGAY-UHFFFAOYSA-N 2 0 301.478 3.856 20 0 DHADRP CC(C)COc1ccccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459659856 339041086 /nfs/dbraw/zinc/04/10/86/339041086.db2.gz MXXFAEWDGXSEML-UHFFFAOYSA-N 2 0 309.413 3.659 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728067 339044643 /nfs/dbraw/zinc/04/46/43/339044643.db2.gz CPCKIBKUKCNALC-CQSZACIVSA-N 2 0 310.869 3.560 20 0 DHADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000459731273 339044820 /nfs/dbraw/zinc/04/48/20/339044820.db2.gz LDCBHFBYABQEHJ-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP CCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000459779834 339048137 /nfs/dbraw/zinc/04/81/37/339048137.db2.gz UXQFDQAYVHDMFF-LJQANCHMSA-N 2 0 301.478 3.999 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459791021 339048848 /nfs/dbraw/zinc/04/88/48/339048848.db2.gz RODYSNWEWMJPCO-HZPDHXFCSA-N 2 0 306.519 3.661 20 0 DHADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000166538068 339053150 /nfs/dbraw/zinc/05/31/50/339053150.db2.gz NCVLCGAWGDLHMU-CQSZACIVSA-N 2 0 303.837 3.592 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000462682545 339084005 /nfs/dbraw/zinc/08/40/05/339084005.db2.gz LRGLINUMGJALMJ-AEFFLSMTSA-N 2 0 304.478 3.685 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000462682549 339084065 /nfs/dbraw/zinc/08/40/65/339084065.db2.gz LRGLINUMGJALMJ-SJLPKXTDSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000462750873 339086882 /nfs/dbraw/zinc/08/68/82/339086882.db2.gz RQMRVIGLVYNHNO-IEBWSBKVSA-N 2 0 318.505 3.728 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000462799127 339089504 /nfs/dbraw/zinc/08/95/04/339089504.db2.gz RDAKIZVODNYYGC-IYWMVGAKSA-N 2 0 322.537 3.683 20 0 DHADRP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc[nH+]c2cc(F)ccc21 ZINC000463083366 339105173 /nfs/dbraw/zinc/10/51/73/339105173.db2.gz RLIBMKPPSNQCFW-OAHLLOKOSA-N 2 0 301.409 3.685 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267602 339112650 /nfs/dbraw/zinc/11/26/50/339112650.db2.gz PUXFKCQHOQJJLC-LZWOXQAQSA-N 2 0 314.395 3.828 20 0 DHADRP CCCCOc1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000463746690 339125497 /nfs/dbraw/zinc/12/54/97/339125497.db2.gz GQWFUHOMHBSOBJ-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP C(CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)CC[NH+]1CCCCC1 ZINC000464076804 339133348 /nfs/dbraw/zinc/13/33/48/339133348.db2.gz PTZJQCKJHIPMLJ-SLFFLAALSA-N 2 0 322.537 3.828 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000464771956 339152378 /nfs/dbraw/zinc/15/23/78/339152378.db2.gz DJEYAKABCXVUKW-QGZVFWFLSA-N 2 0 308.897 3.936 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000464771260 339152455 /nfs/dbraw/zinc/15/24/55/339152455.db2.gz CMSSJKORDUSDFM-MRXNPFEDSA-N 2 0 324.896 3.773 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C(C)C ZINC000466345361 339200038 /nfs/dbraw/zinc/20/00/38/339200038.db2.gz FASLOUVQRVNBCN-GUDVDZBRSA-N 2 0 310.526 3.680 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000466360735 339200695 /nfs/dbraw/zinc/20/06/95/339200695.db2.gz IZULLSJOOBNSEX-VXGQWTEUSA-N 2 0 306.416 3.675 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467305964 339230675 /nfs/dbraw/zinc/23/06/75/339230675.db2.gz VXZLWGUEKOILKF-ROUUACIJSA-N 2 0 303.494 3.738 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000467309558 339230967 /nfs/dbraw/zinc/23/09/67/339230967.db2.gz RBXHXNRHGDQIQM-PKOBYXMFSA-N 2 0 315.505 3.880 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000467342333 339232618 /nfs/dbraw/zinc/23/26/18/339232618.db2.gz SVUKEIXIXOEOFL-QRVBRYPASA-N 2 0 315.505 3.738 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000467387883 339236134 /nfs/dbraw/zinc/23/61/34/339236134.db2.gz DTGFHPIVMVGCJN-QWHCGFSZSA-N 2 0 302.384 3.566 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)c2cnccn2)CC1)CC(C)C ZINC000467454234 339239521 /nfs/dbraw/zinc/23/95/21/339239521.db2.gz CXZCEHMDQYGMDR-QGZVFWFLSA-N 2 0 318.509 3.618 20 0 DHADRP C/C(=C\c1ccccc1)C[NH+]1CCN(c2cnccc2C)CC1 ZINC000467551567 339242154 /nfs/dbraw/zinc/24/21/54/339242154.db2.gz SSWNCTYVXCPHPB-SAPNQHFASA-N 2 0 307.441 3.616 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000468032922 339251837 /nfs/dbraw/zinc/25/18/37/339251837.db2.gz DNQSCASTUTZFOF-CHWSQXEVSA-N 2 0 318.383 3.619 20 0 DHADRP CCCCOc1ccccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000468394983 339261762 /nfs/dbraw/zinc/26/17/62/339261762.db2.gz JURNTCALBAQPIV-GOSISDBHSA-N 2 0 316.489 3.783 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC1CCOCC1 ZINC000468553076 339266139 /nfs/dbraw/zinc/26/61/39/339266139.db2.gz JJKGKHRMJQZMMX-YTQUADARSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CCN1C ZINC000468556886 339266313 /nfs/dbraw/zinc/26/63/13/339266313.db2.gz XCTMLMJLUGMCDV-AFYVEPGGSA-N 2 0 300.490 3.860 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(C)C)cc2)[C@@H](C)C1 ZINC000468838821 339272350 /nfs/dbraw/zinc/27/23/50/339272350.db2.gz DNHFPFOPBUJJHJ-FXAWDEMLSA-N 2 0 318.505 3.584 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2Cl)[C@H](C)C1 ZINC000469088390 339279797 /nfs/dbraw/zinc/27/97/97/339279797.db2.gz VEEGXVXCJPQPAN-RHSMWYFYSA-N 2 0 308.897 3.938 20 0 DHADRP Clc1ccc(SC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000469974245 339306303 /nfs/dbraw/zinc/30/63/03/339306303.db2.gz RDJPIUUHOUOGHK-CQSZACIVSA-N 2 0 324.921 3.896 20 0 DHADRP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)s2)cc1 ZINC000469993633 339307383 /nfs/dbraw/zinc/30/73/83/339307383.db2.gz UYRTZIDUFGBAHA-PBHICJAKSA-N 2 0 300.471 3.893 20 0 DHADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000470003274 339308156 /nfs/dbraw/zinc/30/81/56/339308156.db2.gz PGQIHMCCNCHPGX-GFCCVEGCSA-N 2 0 306.862 3.849 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000470021879 339308966 /nfs/dbraw/zinc/30/89/66/339308966.db2.gz COBLWTLMBHTFDJ-CQSZACIVSA-N 2 0 318.461 3.986 20 0 DHADRP C[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000470364309 339318335 /nfs/dbraw/zinc/31/83/35/339318335.db2.gz UOISKKYJZQKLSQ-HZPDHXFCSA-N 2 0 324.896 3.534 20 0 DHADRP CCC(O)(CC)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000471790604 339354168 /nfs/dbraw/zinc/35/41/68/339354168.db2.gz UCCGTNXGFGPGBC-SJLPKXTDSA-N 2 0 310.526 3.560 20 0 DHADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000472569153 339373980 /nfs/dbraw/zinc/37/39/80/339373980.db2.gz YCRCGBWCZJJGPE-SUMDDJOVSA-N 2 0 304.453 3.878 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2CCCCCOc2ccccc2)CC1 ZINC000472638147 339375581 /nfs/dbraw/zinc/37/55/81/339375581.db2.gz OEPBPSHUMJFVIF-UHFFFAOYSA-N 2 0 316.489 3.796 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)C1 ZINC000474056521 339399606 /nfs/dbraw/zinc/39/96/06/339399606.db2.gz NPHVAVVRBONIEV-DBVUQKKJSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060322 339399994 /nfs/dbraw/zinc/39/99/94/339399994.db2.gz RFIGOENVWDZQRB-UKRRQHHQSA-N 2 0 300.437 3.807 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000474594410 339419189 /nfs/dbraw/zinc/41/91/89/339419189.db2.gz AOMGDTIQGMPTDX-NCXUSEDFSA-N 2 0 310.526 3.680 20 0 DHADRP O[C@H](CC1CCCC1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000474957963 339433394 /nfs/dbraw/zinc/43/33/94/339433394.db2.gz YDVYGLOKXNIEGA-HXUWFJFHSA-N 2 0 322.537 3.516 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000477927523 339504875 /nfs/dbraw/zinc/50/48/75/339504875.db2.gz OIXSIUDQGCLHCJ-UONOGXRCSA-N 2 0 306.416 3.819 20 0 DHADRP Fc1ccccc1OCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000480066849 339557448 /nfs/dbraw/zinc/55/74/48/339557448.db2.gz FBYWOWBMSBWWGT-UHFFFAOYSA-N 2 0 320.452 3.591 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000480346224 339569886 /nfs/dbraw/zinc/56/98/86/339569886.db2.gz XOJJXKGMURSAGH-UHFFFAOYSA-N 2 0 316.489 3.687 20 0 DHADRP CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000484505727 339688574 /nfs/dbraw/zinc/68/85/74/339688574.db2.gz VSKITCCOIALGOY-GPMSIDNRSA-N 2 0 304.478 3.856 20 0 DHADRP CC1CC[NH+](CCCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000500470135 340059898 /nfs/dbraw/zinc/05/98/98/340059898.db2.gz XRFDSBPHRSSKES-UHFFFAOYSA-N 2 0 301.409 3.908 20 0 DHADRP C[NH+](C)[C@@H](CNc1cc[nH+]c2cc(F)ccc12)Cc1ccccc1 ZINC000500469951 340059936 /nfs/dbraw/zinc/05/99/36/340059936.db2.gz GUISLWQMAILPHJ-QGZVFWFLSA-N 2 0 323.415 3.959 20 0 DHADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CCCCC1 ZINC000501090380 340074141 /nfs/dbraw/zinc/07/41/41/340074141.db2.gz RIBVJWORBPGRDJ-UHFFFAOYSA-N 2 0 323.569 3.695 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000501375480 340079428 /nfs/dbraw/zinc/07/94/28/340079428.db2.gz BNVCCHQAFBZDJI-QZTJIDSGSA-N 2 0 318.505 3.964 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000501416395 340080518 /nfs/dbraw/zinc/08/05/18/340080518.db2.gz DOSVSYBATUJXSA-QZTJIDSGSA-N 2 0 318.505 3.964 20 0 DHADRP CCc1cc(OC)ccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000501441495 340081152 /nfs/dbraw/zinc/08/11/52/340081152.db2.gz GXOJNKJJWKEYTN-UHFFFAOYSA-N 2 0 312.457 3.609 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000502688065 340110560 /nfs/dbraw/zinc/11/05/60/340110560.db2.gz VQMWOHIIZXQFKG-FHWLQOOXSA-N 2 0 310.526 3.682 20 0 DHADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000502695485 340110914 /nfs/dbraw/zinc/11/09/14/340110914.db2.gz XLEPDCXEUSFSGO-LSDHHAIUSA-N 2 0 324.871 3.970 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000502695482 340110966 /nfs/dbraw/zinc/11/09/66/340110966.db2.gz XLEPDCXEUSFSGO-CABCVRRESA-N 2 0 324.871 3.970 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000503030094 340119131 /nfs/dbraw/zinc/11/91/31/340119131.db2.gz AXFCIUZEIFIRPJ-RLLQIKCJSA-N 2 0 300.490 3.892 20 0 DHADRP CCCC[N@H+](C)CC1CCN(Cc2c(F)cccc2F)CC1 ZINC000506892763 340203142 /nfs/dbraw/zinc/20/31/42/340203142.db2.gz FLJOTEQEXFMSFL-UHFFFAOYSA-N 2 0 310.432 3.909 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000507211458 340213813 /nfs/dbraw/zinc/21/38/13/340213813.db2.gz MIGQTPLDLYBLPS-UHFFFAOYSA-N 2 0 324.896 3.990 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000507467592 340221072 /nfs/dbraw/zinc/22/10/72/340221072.db2.gz GBBZZXQMRGUXHD-IRXDYDNUSA-N 2 0 303.494 3.949 20 0 DHADRP Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000303055257 340298884 /nfs/dbraw/zinc/29/88/84/340298884.db2.gz OSTAGCBXLUVRAL-LJQANCHMSA-N 2 0 312.432 3.888 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510669031 340305761 /nfs/dbraw/zinc/30/57/61/340305761.db2.gz KNAOHQSPIZJWJD-WOJBJXKFSA-N 2 0 316.489 3.685 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510735062 340308810 /nfs/dbraw/zinc/30/88/10/340308810.db2.gz KXQAHVAXXRTYCO-OAHLLOKOSA-N 2 0 324.459 3.998 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000510950802 340316000 /nfs/dbraw/zinc/31/60/00/340316000.db2.gz NCLGRPRGHHJDSP-FHERZECASA-N 2 0 322.443 3.892 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CCO)CCCC3)CC2)C1 ZINC000512964858 340385834 /nfs/dbraw/zinc/38/58/34/340385834.db2.gz WCSNMBWAOLLFBE-PKOBYXMFSA-N 2 0 322.537 3.562 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CCO)CCCC3)CC2)C1 ZINC000512964855 340385878 /nfs/dbraw/zinc/38/58/78/340385878.db2.gz WCSNMBWAOLLFBE-HKUYNNGSSA-N 2 0 322.537 3.562 20 0 DHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000306173390 340394005 /nfs/dbraw/zinc/39/40/05/340394005.db2.gz GCAXPHAUIZIJED-LEWJYISDSA-N 2 0 306.453 3.641 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc3[nH]ccc3c2)cc1F ZINC000522014329 340562635 /nfs/dbraw/zinc/56/26/35/340562635.db2.gz OFNNHVAGKUTGSW-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP c1ccc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CCC2)nc1 ZINC000529645964 340766462 /nfs/dbraw/zinc/76/64/62/340766462.db2.gz XUZQHXQFVSXMQX-FQEVSTJZSA-N 2 0 322.456 3.576 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]C(C)(C)c2nc3ccccc3s2)CC[NH2+]1 ZINC000530242203 340783472 /nfs/dbraw/zinc/78/34/72/340783472.db2.gz LSCSGABIYFESPT-OLZOCXBDSA-N 2 0 303.475 3.509 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530244685 340783533 /nfs/dbraw/zinc/78/35/33/340783533.db2.gz MRJUMWZWVOFBFK-BSDSXHPESA-N 2 0 304.865 3.838 20 0 DHADRP FC(F)(F)C1CCC(C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000124303938 340798195 /nfs/dbraw/zinc/79/81/95/340798195.db2.gz DIIVBTSWXSLCFW-UHFFFAOYSA-N 2 0 306.416 3.821 20 0 DHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000538196747 340812992 /nfs/dbraw/zinc/81/29/92/340812992.db2.gz YNUGPHWFWLORHG-KRWDZBQOSA-N 2 0 318.505 3.728 20 0 DHADRP C[C@H]([NH2+]CCC1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539067261 340870069 /nfs/dbraw/zinc/87/00/69/340870069.db2.gz DVNLNGHOYCYBDM-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cnccc1C ZINC000540087039 340914870 /nfs/dbraw/zinc/91/48/70/340914870.db2.gz UHNLQOHKTREGOV-AOIWGVFYSA-N 2 0 303.494 3.941 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCCCS3)CC2)C1 ZINC000542485316 341009692 /nfs/dbraw/zinc/00/96/92/341009692.db2.gz CHRBTZBCAOERCZ-KBAYOESNSA-N 2 0 310.551 3.905 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCc3ccccc3C2)C[C@@H]1C ZINC000542915928 341026307 /nfs/dbraw/zinc/02/63/07/341026307.db2.gz SXTPXPMFVHMCEF-ZWOKBUDYSA-N 2 0 300.490 3.596 20 0 DHADRP C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc2c(c1)CCC2 ZINC000130585466 341029480 /nfs/dbraw/zinc/02/94/80/341029480.db2.gz ITVZRYKRQSNHTF-HNNXBMFYSA-N 2 0 305.425 3.716 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000543426460 341044000 /nfs/dbraw/zinc/04/40/00/341044000.db2.gz AXLCOLAFYQYJEI-QFBILLFUSA-N 2 0 321.468 3.724 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000543426458 341044048 /nfs/dbraw/zinc/04/40/48/341044048.db2.gz AXLCOLAFYQYJEI-APWZRJJASA-N 2 0 321.468 3.724 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC[C@H]2CCCCO2)CC1)CC1CC1 ZINC000543442099 341044794 /nfs/dbraw/zinc/04/47/94/341044794.db2.gz YHVRHILBEXUDKM-HXUWFJFHSA-N 2 0 322.537 3.780 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000543446147 341045139 /nfs/dbraw/zinc/04/51/39/341045139.db2.gz CNPCMDBASPWAFJ-AZUAARDMSA-N 2 0 302.506 3.823 20 0 DHADRP CC[N@@H+]1CC[C@H](NCc2ccccc2OCC(C)C)[C@H](C)C1 ZINC000130806414 341046102 /nfs/dbraw/zinc/04/61/02/341046102.db2.gz VZYQRJYXYBCVIG-AEFFLSMTSA-N 2 0 304.478 3.541 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccc(F)cc2F)C[C@H]1C ZINC000543632145 341052186 /nfs/dbraw/zinc/05/21/86/341052186.db2.gz UIHQPZXZNHFTMB-HVMMPBATSA-N 2 0 308.416 3.783 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543711093 341054716 /nfs/dbraw/zinc/05/47/16/341054716.db2.gz UBIKZFKQQXRAOT-DNVCBOLYSA-N 2 0 302.437 3.693 20 0 DHADRP CCC[NH+]1CCC(N(C)Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000544010669 341066316 /nfs/dbraw/zinc/06/63/16/341066316.db2.gz WMIOZDAIPZITDJ-UHFFFAOYSA-N 2 0 322.880 3.581 20 0 DHADRP Fc1ccc(/C=C\C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000544611448 341088801 /nfs/dbraw/zinc/08/88/01/341088801.db2.gz QOWWOMGJRYXSTK-ARJAWSKDSA-N 2 0 320.427 3.786 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[C@H](C4CC[NH+](C)CC4)C3)c2c1 ZINC000546181466 341156434 /nfs/dbraw/zinc/15/64/34/341156434.db2.gz RLEJYWKUCBFOGB-KRWDZBQOSA-N 2 0 309.457 3.711 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000134176709 341208537 /nfs/dbraw/zinc/20/85/37/341208537.db2.gz BOLFAAYZOQMSCD-UHFFFAOYSA-N 2 0 320.525 3.582 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(C)C)c2)[C@H](C)C1 ZINC000081095576 341279486 /nfs/dbraw/zinc/27/94/86/341279486.db2.gz IQMLRMNBXNEERQ-APWZRJJASA-N 2 0 304.478 3.636 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@](F)(c2ccccc2F)C1 ZINC000549413290 341293917 /nfs/dbraw/zinc/29/39/17/341293917.db2.gz KPGNEOHERSKUQV-MAUKXSAKSA-N 2 0 308.416 3.571 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(C)C)nc2CC)C1 ZINC000549466378 341295173 /nfs/dbraw/zinc/29/51/73/341295173.db2.gz DTVQLEDHNQKHRY-QGZVFWFLSA-N 2 0 317.521 3.931 20 0 DHADRP CCc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2[nH+]1 ZINC000549524702 341296314 /nfs/dbraw/zinc/29/63/14/341296314.db2.gz XMSJNXJYMRZRDM-MRXNPFEDSA-N 2 0 309.457 3.719 20 0 DHADRP C[C@@H]1C[C@@H](Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000245624085 341305998 /nfs/dbraw/zinc/30/59/98/341305998.db2.gz QOKQNLWIBMJERH-QKLQHJQFSA-N 2 0 315.505 3.956 20 0 DHADRP CCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000245709885 341311288 /nfs/dbraw/zinc/31/12/88/341311288.db2.gz FUCJBFWBQXFMFW-APWZRJJASA-N 2 0 304.478 3.638 20 0 DHADRP CN(C)c1cccc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000550643846 341320315 /nfs/dbraw/zinc/32/03/15/341320315.db2.gz FZCUQGKUFFEJRX-TZIWHRDSSA-N 2 0 323.484 3.678 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000551014702 341329194 /nfs/dbraw/zinc/32/91/94/341329194.db2.gz XGGSYJBJHDAWGM-KSZLIROESA-N 2 0 308.510 3.578 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2OC)C2CCCC2)C1 ZINC000246153336 341329920 /nfs/dbraw/zinc/32/99/20/341329920.db2.gz TUDPTCQHFUINLN-UZLBHIALSA-N 2 0 316.489 3.858 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000246169916 341331192 /nfs/dbraw/zinc/33/11/92/341331192.db2.gz VFQUQQIYLCKUHH-JXFKEZNVSA-N 2 0 316.489 3.856 20 0 DHADRP c1c2ccccc2sc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000551240266 341335032 /nfs/dbraw/zinc/33/50/32/341335032.db2.gz HNFLHSXDRFZJSJ-UHFFFAOYSA-N 2 0 300.471 3.865 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2cc3ccccc3s2)CC1 ZINC000551264750 341335954 /nfs/dbraw/zinc/33/59/54/341335954.db2.gz NAUGENZQFVBZCT-UHFFFAOYSA-N 2 0 302.487 3.908 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000551540174 341344750 /nfs/dbraw/zinc/34/47/50/341344750.db2.gz BPSDDNQJTVPACV-XNFNUYLZSA-N 2 0 316.489 3.509 20 0 DHADRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000551543075 341344949 /nfs/dbraw/zinc/34/49/49/341344949.db2.gz QXOMBXUGSPMSQB-CVEARBPZSA-N 2 0 314.395 3.883 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000551790712 341351897 /nfs/dbraw/zinc/35/18/97/341351897.db2.gz FUJRMSHJBBVPMA-BPQIPLTHSA-N 2 0 310.526 3.559 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246902787 341358396 /nfs/dbraw/zinc/35/83/96/341358396.db2.gz FHHIFRFWSMETFC-MXSMSXNCSA-N 2 0 304.478 3.650 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(C)C)c2)[C@@H](C)C1 ZINC000246907475 341358514 /nfs/dbraw/zinc/35/85/14/341358514.db2.gz GDGJESYJZKBSDT-QFBILLFUSA-N 2 0 304.478 3.541 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000247137158 341361392 /nfs/dbraw/zinc/36/13/92/341361392.db2.gz SBGAVTGPESJVOC-GGPKGHCWSA-N 2 0 318.505 3.783 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552033105 341363358 /nfs/dbraw/zinc/36/33/58/341363358.db2.gz MNFMMWYTMIPICJ-VNQPRFMTSA-N 2 0 313.272 3.956 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000552052759 341365346 /nfs/dbraw/zinc/36/53/46/341365346.db2.gz CDPRCVCHJIXDJB-DBDQLMEASA-N 2 0 302.437 3.534 20 0 DHADRP CC1=CC[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000552116078 341370705 /nfs/dbraw/zinc/37/07/05/341370705.db2.gz NZOPNNGDCMHUMF-GOSISDBHSA-N 2 0 302.462 3.606 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000248405911 341376799 /nfs/dbraw/zinc/37/67/99/341376799.db2.gz BIYTWZJCKHZIET-NASSWSRMSA-N 2 0 321.468 3.643 20 0 DHADRP CCCCOc1ccccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248730750 341385329 /nfs/dbraw/zinc/38/53/29/341385329.db2.gz OKNQPTUNXYGBGT-FUHWJXTLSA-N 2 0 304.478 3.780 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249206416 341395319 /nfs/dbraw/zinc/39/53/19/341395319.db2.gz WALZUPQGRRNUCJ-FFGOWVMKSA-N 2 0 300.490 3.718 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000249465954 341398028 /nfs/dbraw/zinc/39/80/28/341398028.db2.gz GQFLJFAEAUQQBY-UWWQBHOKSA-N 2 0 306.881 3.860 20 0 DHADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000322307342 341485650 /nfs/dbraw/zinc/48/56/50/341485650.db2.gz XLGKSKLBVAEBQS-INIZCTEOSA-N 2 0 312.457 3.731 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000564740774 341508037 /nfs/dbraw/zinc/50/80/37/341508037.db2.gz GMKYFOBIDCJNDE-LJQANCHMSA-N 2 0 320.908 3.983 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153592330 341575405 /nfs/dbraw/zinc/57/54/05/341575405.db2.gz VTKIUNPAOZXCBV-AWEZNQCLSA-N 2 0 308.441 3.607 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000567126022 341581664 /nfs/dbraw/zinc/58/16/64/341581664.db2.gz SECTVIOWQYLSLZ-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)ccc1F ZINC000154446839 341589293 /nfs/dbraw/zinc/58/92/93/341589293.db2.gz DQUOLJGQCSPPGI-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP C[C@H]([NH2+]CCc1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155569260 341609477 /nfs/dbraw/zinc/60/94/77/341609477.db2.gz AYRHXZQFKUWJNJ-HNNXBMFYSA-N 2 0 318.486 3.582 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1sccc1Br ZINC000567655269 341624741 /nfs/dbraw/zinc/62/47/41/341624741.db2.gz VGSZPTOCDMMDOI-QWRGUYRKSA-N 2 0 317.296 3.693 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(C)C ZINC000567752730 341631763 /nfs/dbraw/zinc/63/17/63/341631763.db2.gz VYJAMCKTVFWYRK-BHYGNILZSA-N 2 0 320.477 3.651 20 0 DHADRP C[C@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568733453 341679972 /nfs/dbraw/zinc/67/99/72/341679972.db2.gz QAKJJJFOHAUXPV-WAZRQNRBSA-N 2 0 304.453 3.830 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)CC[NH+](C)CC1 ZINC000568818176 341682516 /nfs/dbraw/zinc/68/25/16/341682516.db2.gz NACSIDDLMVHBSG-RYQLBKOJSA-N 2 0 318.530 3.596 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)(C)C ZINC000576617689 341855337 /nfs/dbraw/zinc/85/53/37/341855337.db2.gz GTMWJOQUKUBGLS-OTWHNJEPSA-N 2 0 324.553 3.805 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+]CC3CC[NH2+]CC3)cs2)cs1 ZINC000577719971 341931305 /nfs/dbraw/zinc/93/13/05/341931305.db2.gz AHCPJLNHPKHGOC-NSHDSACASA-N 2 0 321.515 3.830 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C[NH+]1CCCC1 ZINC000337277416 519268517 /nfs/dbraw/zinc/26/85/17/519268517.db2.gz FRMJSVUZZGJCHK-PKOBYXMFSA-N 2 0 315.505 3.819 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000163593479 519653705 /nfs/dbraw/zinc/65/37/05/519653705.db2.gz BOAFQABGMCMQEQ-HNNXBMFYSA-N 2 0 307.457 3.629 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000364961491 519653735 /nfs/dbraw/zinc/65/37/35/519653735.db2.gz IFVJAWKVBFUMNR-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337336591 519677887 /nfs/dbraw/zinc/67/78/87/519677887.db2.gz MGANYWAZRPXZBN-HBFSDRIKSA-N 2 0 315.505 3.818 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000368952081 519779198 /nfs/dbraw/zinc/77/91/98/519779198.db2.gz TVRHXJQVBFMJNU-UHFFFAOYSA-N 2 0 302.462 3.534 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000163564890 520754352 /nfs/dbraw/zinc/75/43/52/520754352.db2.gz VGGUJNRDJANQFT-OAHLLOKOSA-N 2 0 315.436 3.913 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000163549834 520754763 /nfs/dbraw/zinc/75/47/63/520754763.db2.gz CGEHTJGUPVJZFK-AWEZNQCLSA-N 2 0 303.475 3.836 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000249305352 520757471 /nfs/dbraw/zinc/75/74/71/520757471.db2.gz JBJSLYYJPBDOAP-JTDSTZFVSA-N 2 0 303.494 3.669 20 0 DHADRP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000364865113 520861049 /nfs/dbraw/zinc/86/10/49/520861049.db2.gz RLPPNNKJABQACT-YLJYHZDGSA-N 2 0 320.521 3.554 20 0 DHADRP C[NH+](C/C=C\C[N@@H+](C)Cc1cccs1)Cc1cccs1 ZINC000338374847 522406322 /nfs/dbraw/zinc/40/63/22/522406322.db2.gz MUEHHUVQXGTVQG-ARJAWSKDSA-N 2 0 306.500 3.930 20 0 DHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000157677171 522754368 /nfs/dbraw/zinc/75/43/68/522754368.db2.gz QSOJQIQZQIHYPN-UZLBHIALSA-N 2 0 316.489 3.576 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000265855337 523342982 /nfs/dbraw/zinc/34/29/82/523342982.db2.gz QWEGMRFACZCSJM-UHFFFAOYSA-N 2 0 314.395 3.783 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CC[C@H]2CCCO2)CC1 ZINC000364897128 523351418 /nfs/dbraw/zinc/35/14/18/523351418.db2.gz RVMJQVZHTJLHSO-VQTJNVASSA-N 2 0 316.489 3.542 20 0 DHADRP C[N@@H+](Cc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364992861 523369300 /nfs/dbraw/zinc/36/93/00/523369300.db2.gz FQNGHFUAGHTGAW-UHFFFAOYSA-N 2 0 313.420 3.569 20 0 DHADRP C[C@H]1CCc2nc(C[NH2+]CCCCC[NH+]3CCCC3)sc2C1 ZINC000339500145 524441003 /nfs/dbraw/zinc/44/10/03/524441003.db2.gz XQAUPSDXZDXPQJ-HNNXBMFYSA-N 2 0 321.534 3.624 20 0 DHADRP C[C@H](F)CC[NH+]1CCCC2(CCC[N@@H+](CC[C@H](C)F)C2)C1 ZINC000368240402 524806691 /nfs/dbraw/zinc/80/66/91/524806691.db2.gz JCVPCXXZFDMNCT-PYNWJHIZSA-N 2 0 302.453 3.661 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124186402 524914547 /nfs/dbraw/zinc/91/45/47/524914547.db2.gz IYQMUDGABDPQKQ-MUIFIZLQSA-N 2 0 302.462 3.607 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000173839464 525521197 /nfs/dbraw/zinc/52/11/97/525521197.db2.gz VARVSIRFWIPIPJ-QGZVFWFLSA-N 2 0 309.457 3.918 20 0 DHADRP C[C@@H]([NH2+]Cc1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000156500614 525542814 /nfs/dbraw/zinc/54/28/14/525542814.db2.gz JHTHLIOCLZIWEB-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP C[C@@H]([NH2+]Cc1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156485609 525543031 /nfs/dbraw/zinc/54/30/31/525543031.db2.gz BUQOAUYWDDPQKM-CQSZACIVSA-N 2 0 304.459 3.539 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000040591655 536465585 /nfs/dbraw/zinc/46/55/85/536465585.db2.gz XNZIAIIGZCSOGZ-QWHCGFSZSA-N 2 0 300.368 3.698 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000285128373 536479513 /nfs/dbraw/zinc/47/95/13/536479513.db2.gz LHSKJQWWMYLNJR-ADKAHSJRSA-N 2 0 304.503 3.525 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1cc(F)cc(F)c1 ZINC000294801472 1013147491 /nfs/dbraw/zinc/14/74/91/1013147491.db2.gz LKPVCOOYZOXFGN-CHWSQXEVSA-N 2 0 305.372 3.671 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC001168294917 1032067840 /nfs/dbraw/zinc/06/78/40/1032067840.db2.gz GVUBKTCBYUJAFF-MHJFOBGBSA-N 2 0 309.457 3.633 20 0 DHADRP c1ccc([C@H]2C[C@@H]([NH2+]C3CCSCC3)CCN2C2CC2)cc1 ZINC000638573609 1013170204 /nfs/dbraw/zinc/17/02/04/1013170204.db2.gz FWFFOPKCJYDHOG-PKOBYXMFSA-N 2 0 316.514 3.840 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649360 1013206747 /nfs/dbraw/zinc/20/67/47/1013206747.db2.gz KUQGXZZMFQPLSD-STQMWFEESA-N 2 0 323.278 3.584 20 0 DHADRP c1ccc2c(c1)ccnc2CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964817 1013229357 /nfs/dbraw/zinc/22/93/57/1013229357.db2.gz YLASRFUPWZJSFQ-YQQQUEKLSA-N 2 0 321.468 3.730 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000578642820 1013318606 /nfs/dbraw/zinc/31/86/06/1013318606.db2.gz DGZQTKBTUJMBJL-QWHCGFSZSA-N 2 0 317.260 3.622 20 0 DHADRP c1cc(-c2ccccc2)oc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742209 1013341449 /nfs/dbraw/zinc/34/14/49/1013341449.db2.gz KHZCQVORGXTPAU-UHFFFAOYSA-N 2 0 310.441 3.912 20 0 DHADRP Fc1ccc([C@H]2C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969476 1013373106 /nfs/dbraw/zinc/37/31/06/1013373106.db2.gz CMAQOQJCVZHFTN-NOSIKRSBSA-N 2 0 314.448 3.677 20 0 DHADRP Cn1cncc1CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000653480625 1013435248 /nfs/dbraw/zinc/43/52/48/1013435248.db2.gz KBMQRBVVWRPNJC-UHFFFAOYSA-N 2 0 311.351 3.504 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894731409 1013471321 /nfs/dbraw/zinc/47/13/21/1013471321.db2.gz RBMGDDPGZQIXAU-UHFFFAOYSA-N 2 0 302.384 3.973 20 0 DHADRP c1cncc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167982841 1013479616 /nfs/dbraw/zinc/47/96/16/1013479616.db2.gz CESLQAVXASAINM-JIRNRHONSA-N 2 0 311.473 3.624 20 0 DHADRP c1ccc([C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167983928 1013495079 /nfs/dbraw/zinc/49/50/79/1013495079.db2.gz LLIBRLDGQMUVBA-CBQMWWCCSA-N 2 0 310.485 3.881 20 0 DHADRP C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369295 1013523315 /nfs/dbraw/zinc/52/33/15/1013523315.db2.gz GRULIZJTFOSFLP-SJORKVTESA-N 2 0 316.489 3.716 20 0 DHADRP C[C@@H]1SCC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000340372236 1013526052 /nfs/dbraw/zinc/52/60/52/1013526052.db2.gz WLRUNVNIGNSZDS-SZMVWBNQSA-N 2 0 304.503 3.649 20 0 DHADRP Fc1cccc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1F ZINC000519708699 1013595447 /nfs/dbraw/zinc/59/54/47/1013595447.db2.gz JEEVJWQXGDIBCR-UHFFFAOYSA-N 2 0 308.416 3.534 20 0 DHADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000655689573 1013641000 /nfs/dbraw/zinc/64/10/00/1013641000.db2.gz GPLYSHGNVCQGPS-LJQANCHMSA-N 2 0 321.468 3.944 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655690156 1013646774 /nfs/dbraw/zinc/64/67/74/1013646774.db2.gz XMROXOJNKRBOST-MAUKXSAKSA-N 2 0 306.519 3.901 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000655700927 1013648669 /nfs/dbraw/zinc/64/86/69/1013648669.db2.gz RBQUFYVSYPUUGR-VQIMIIECSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CS1 ZINC000655703191 1013654736 /nfs/dbraw/zinc/65/47/36/1013654736.db2.gz NFYSLURWHADYTA-NEWSRXKRSA-N 2 0 318.530 3.772 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281223 1013696107 /nfs/dbraw/zinc/69/61/07/1013696107.db2.gz PLEICSJVMVTXDF-BEFAXECRSA-N 2 0 311.473 3.785 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000280798666 1013726447 /nfs/dbraw/zinc/72/64/47/1013726447.db2.gz IGLVXHLRDLDEEK-VQIMIIECSA-N 2 0 301.478 3.633 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000655803619 1013726822 /nfs/dbraw/zinc/72/68/22/1013726822.db2.gz ADGPYOQLIVNGFV-PDWCTOEPSA-N 2 0 312.910 3.823 20 0 DHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000579952465 1013752044 /nfs/dbraw/zinc/75/20/44/1013752044.db2.gz BYCWYQBGJXROSL-DZGCQCFKSA-N 2 0 314.395 3.697 20 0 DHADRP FC(F)(F)CCC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397562817 1013756586 /nfs/dbraw/zinc/75/65/86/1013756586.db2.gz SZNKCRLEBDRWMR-UHFFFAOYSA-N 2 0 314.395 3.831 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000655849835 1013777165 /nfs/dbraw/zinc/77/71/65/1013777165.db2.gz ZCHDVBGXSOTJGC-QRTARXTBSA-N 2 0 315.486 3.964 20 0 DHADRP Cc1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995411 1013784219 /nfs/dbraw/zinc/78/42/19/1013784219.db2.gz FEMXGVWERUYOAE-WCRBZPEASA-N 2 0 312.501 3.875 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978148 1013785660 /nfs/dbraw/zinc/78/56/60/1013785660.db2.gz NHGLBRFGVQAURS-BMFZPTHFSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccncc1F ZINC000340464683 1013827181 /nfs/dbraw/zinc/82/71/81/1013827181.db2.gz RXWCZCZCTYBXAL-OAHLLOKOSA-N 2 0 315.436 3.912 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccncc2F)cc1 ZINC000340466355 1013829550 /nfs/dbraw/zinc/82/95/50/1013829550.db2.gz ZIVOQIDCIQANIM-OAHLLOKOSA-N 2 0 315.436 3.913 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000340478521 1013859935 /nfs/dbraw/zinc/85/99/35/1013859935.db2.gz RFAJKWKGVKULDI-MRXNPFEDSA-N 2 0 317.477 3.562 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340477912 1013860707 /nfs/dbraw/zinc/86/07/07/1013860707.db2.gz ONLCMPCNKNEHLV-SFHVURJKSA-N 2 0 302.462 3.538 20 0 DHADRP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312628485 1013938698 /nfs/dbraw/zinc/93/86/98/1013938698.db2.gz BRMGSWZVPPVFNP-RWMBFGLXSA-N 2 0 313.272 3.986 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2c(F)cccc2OC)CC1 ZINC001173101622 1033539018 /nfs/dbraw/zinc/53/90/18/1033539018.db2.gz LNFXJNWDLHHJJI-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000580136057 1014041740 /nfs/dbraw/zinc/04/17/40/1014041740.db2.gz GOZBZTPYQYFJLN-CAIZAGQASA-N 2 0 302.506 3.928 20 0 DHADRP C[NH2+]CCC1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000261977211 1014094665 /nfs/dbraw/zinc/09/46/65/1014094665.db2.gz QVIDIMRERBLALX-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP CCC(C)(C)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000441475557 1014207965 /nfs/dbraw/zinc/20/79/65/1014207965.db2.gz QLGBJGNUWKPJQT-CALCHBBNSA-N 2 0 310.526 3.634 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)CCCO2 ZINC000361755412 1032086607 /nfs/dbraw/zinc/08/66/07/1032086607.db2.gz QLKMJRMQSSAJGD-JFIYKMOQSA-N 2 0 302.462 3.589 20 0 DHADRP CCOCC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000580624535 1014254663 /nfs/dbraw/zinc/25/46/63/1014254663.db2.gz VBHQPHPNWLWECQ-MJGOQNOKSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120395 1014329001 /nfs/dbraw/zinc/32/90/01/1014329001.db2.gz ZIVVYAIKMMAMDD-ZRDSACAASA-N 2 0 320.521 3.577 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000177806447 1014330784 /nfs/dbraw/zinc/33/07/84/1014330784.db2.gz CTXLGFOHHYGWKJ-CQSZACIVSA-N 2 0 303.475 3.882 20 0 DHADRP Fc1ccc2c(c1)CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003670 1014343528 /nfs/dbraw/zinc/34/35/28/1014343528.db2.gz QAKHUDZEEAHARZ-YOFSQIOKSA-N 2 0 314.448 3.589 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006664 1014420952 /nfs/dbraw/zinc/42/09/52/1014420952.db2.gz NWBZDDZEFISPAK-XWCCPHMRSA-N 2 0 304.453 3.908 20 0 DHADRP C/C(=C/c1ccccc1)C[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000255916239 1014476391 /nfs/dbraw/zinc/47/63/91/1014476391.db2.gz NPSCAQXIOBPJMY-SDXDJHTJSA-N 2 0 316.489 3.569 20 0 DHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC2CC2)cc1 ZINC000656408589 1014578350 /nfs/dbraw/zinc/57/83/50/1014578350.db2.gz KKWGWBILQOGYKF-BQJUDKOJSA-N 2 0 310.485 3.629 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001168299239 1032096006 /nfs/dbraw/zinc/09/60/06/1032096006.db2.gz IIARMVJPFWVNEL-UHFFFAOYSA-N 2 0 309.457 3.711 20 0 DHADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665261451 1014598477 /nfs/dbraw/zinc/59/84/77/1014598477.db2.gz CSHLVFXQBCSDFQ-DYXWJJEUSA-N 2 0 320.436 3.519 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)c2ccccc21 ZINC000665276162 1014640806 /nfs/dbraw/zinc/64/08/06/1014640806.db2.gz ZLDYOFFPEDRVQQ-DOTOQJQBSA-N 2 0 309.438 3.573 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC[NH+](C)CC1 ZINC000521122329 1014646015 /nfs/dbraw/zinc/64/60/15/1014646015.db2.gz IRIHBSMUTMDJHC-INIZCTEOSA-N 2 0 306.519 3.781 20 0 DHADRP CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(F)cc1Br ZINC000665280838 1014669052 /nfs/dbraw/zinc/66/90/52/1014669052.db2.gz MWNCXXIEMACOTB-QMTHXVAHSA-N 2 0 317.246 3.612 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000665280452 1014672556 /nfs/dbraw/zinc/67/25/56/1014672556.db2.gz BVHFRBJLKWLIKG-IINYFYTJSA-N 2 0 317.246 3.612 20 0 DHADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000442807412 1014732754 /nfs/dbraw/zinc/73/27/54/1014732754.db2.gz DWZHABNFNLEAPG-WNHJNPCNSA-N 2 0 308.510 3.577 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442899214 1014768356 /nfs/dbraw/zinc/76/83/56/1014768356.db2.gz JNWXPWHGGGOYJB-QGZVFWFLSA-N 2 0 324.468 3.923 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000442918582 1014773506 /nfs/dbraw/zinc/77/35/06/1014773506.db2.gz HLORJJKHVADIMV-LLVKDONJSA-N 2 0 320.786 3.920 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665301131 1014777564 /nfs/dbraw/zinc/77/75/64/1014777564.db2.gz OYPUBOXNQSFLCK-YCRPNKLZSA-N 2 0 323.484 3.867 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000443066900 1014796691 /nfs/dbraw/zinc/79/66/91/1014796691.db2.gz FUVPAHOGWILLCH-ZDUSSCGKSA-N 2 0 319.449 3.510 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000323802696 1014863839 /nfs/dbraw/zinc/86/38/39/1014863839.db2.gz GGTYJWWJSVCOKO-LJQANCHMSA-N 2 0 311.473 3.867 20 0 DHADRP CC(C)c1ccc([C@H]([NH2+]C[C@H](O)CN(C)C2CC2)C(C)C)cc1 ZINC000522038175 1014869389 /nfs/dbraw/zinc/86/93/89/1014869389.db2.gz WDLSGPDQISMIHA-VQTJNVASSA-N 2 0 318.505 3.552 20 0 DHADRP CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001279494496 1014910121 /nfs/dbraw/zinc/91/01/21/1014910121.db2.gz IKDSJXDWFAEKGV-OKILXGFUSA-N 2 0 324.921 3.836 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)ccc2c1 ZINC000581575549 1015007189 /nfs/dbraw/zinc/00/71/89/1015007189.db2.gz VJEUKIGCHYZTCQ-FPOVZHCZSA-N 2 0 324.468 3.765 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC1 ZINC000895458865 1015163976 /nfs/dbraw/zinc/16/39/76/1015163976.db2.gz IKJGCRVCKBZZBK-XUVXKRRUSA-N 2 0 316.464 3.564 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474462957 1015379643 /nfs/dbraw/zinc/37/96/43/1015379643.db2.gz WUHQVHMARWHNRN-UXHICEINSA-N 2 0 323.569 3.599 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000474488395 1015391158 /nfs/dbraw/zinc/39/11/58/1015391158.db2.gz MKRVQXLPHHRQEI-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)C2CCC2)cc1 ZINC000474484850 1015395100 /nfs/dbraw/zinc/39/51/00/1015395100.db2.gz MWRSZRZJSOPUKO-MRXNPFEDSA-N 2 0 304.478 3.685 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]CC2CC[NH2+]CC2)cc1OCC ZINC000569349510 1015409969 /nfs/dbraw/zinc/40/99/69/1015409969.db2.gz FRPKXNPSBUFGIX-QGZVFWFLSA-N 2 0 320.477 3.524 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000341486334 1015419440 /nfs/dbraw/zinc/41/94/40/1015419440.db2.gz NKWQULVYFDVFJN-UHFFFAOYSA-N 2 0 318.424 3.612 20 0 DHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010808 1015442832 /nfs/dbraw/zinc/44/28/32/1015442832.db2.gz KEPKVCQHTPJWDK-LBPRGKRZSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010809 1015443434 /nfs/dbraw/zinc/44/34/34/1015443434.db2.gz KEPKVCQHTPJWDK-GFCCVEGCSA-N 2 0 300.368 3.698 20 0 DHADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000474594411 1015475397 /nfs/dbraw/zinc/47/53/97/1015475397.db2.gz AOMGDTIQGMPTDX-ZSYWTGECSA-N 2 0 310.526 3.680 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c3ccccc23)CC1 ZINC000261759911 1015482911 /nfs/dbraw/zinc/48/29/11/1015482911.db2.gz PVFYURVCYFAMTL-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474616466 1015494751 /nfs/dbraw/zinc/49/47/51/1015494751.db2.gz JFAFRFZKRFQIAY-MROQNXINSA-N 2 0 300.899 3.823 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474634223 1015502771 /nfs/dbraw/zinc/50/27/71/1015502771.db2.gz WCPUOUAHONQRTJ-RWMBFGLXSA-N 2 0 300.899 3.825 20 0 DHADRP CC(C)COc1ccccc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623657791 1017156823 /nfs/dbraw/zinc/15/68/23/1017156823.db2.gz ZCDIPZOQDWGTJB-QGZVFWFLSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@@H]([C@H](C)[NH2+]CC1(N2CCCC2)CCOCC1)C1CCCCC1 ZINC000474729495 1015568166 /nfs/dbraw/zinc/56/81/66/1015568166.db2.gz WRLHANLTDIKXHO-ROUUACIJSA-N 2 0 322.537 3.826 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nc(Cl)cs2)CC1 ZINC000896391095 1015569725 /nfs/dbraw/zinc/56/97/25/1015569725.db2.gz KFTYRGXTKSCYID-UHFFFAOYSA-N 2 0 313.898 3.683 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)ccc2c1 ZINC000581937714 1015574407 /nfs/dbraw/zinc/57/44/07/1015574407.db2.gz HNJTVAXUHYXDRD-OAHLLOKOSA-N 2 0 300.446 3.887 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000453409036 1015584375 /nfs/dbraw/zinc/58/43/75/1015584375.db2.gz GZRWSBOZIAJZAC-YTQUADARSA-N 2 0 316.489 3.617 20 0 DHADRP C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCO1 ZINC001168042035 1015622136 /nfs/dbraw/zinc/62/21/36/1015622136.db2.gz YBCQKSQVTRLEHX-BOSXTWCSSA-N 2 0 316.489 3.585 20 0 DHADRP CCSC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001173301991 1033655986 /nfs/dbraw/zinc/65/59/86/1033655986.db2.gz NJFREUNVCQCAMS-AOIWGVFYSA-N 2 0 320.546 3.876 20 0 DHADRP CCOc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000535811435 1015832656 /nfs/dbraw/zinc/83/26/56/1015832656.db2.gz DMFJGMICTQDBQN-UHFFFAOYSA-N 2 0 304.478 3.638 20 0 DHADRP C[NH+](C)C1CCC(n2c3ccccc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001168304105 1032130732 /nfs/dbraw/zinc/13/07/32/1032130732.db2.gz PGRDNJRXFVGLHG-QQFBHYJXSA-N 2 0 311.473 3.503 20 0 DHADRP C[C@H]([NH2+]C1CC(F)(c2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000684612178 1015890143 /nfs/dbraw/zinc/89/01/43/1015890143.db2.gz AYVKZPJOPHHEHD-TZYSRNFLSA-N 2 0 324.871 3.987 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277175741 1016009054 /nfs/dbraw/zinc/00/90/54/1016009054.db2.gz KWUGKMHMKFHRNK-UKRRQHHQSA-N 2 0 312.404 3.765 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000151036444 1016015278 /nfs/dbraw/zinc/01/52/78/1016015278.db2.gz HJXSMLVEEFCZIY-OCCSQVGLSA-N 2 0 319.836 3.519 20 0 DHADRP CO[C@H](CC(C)C)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505784 1016174729 /nfs/dbraw/zinc/17/47/29/1016174729.db2.gz VQIKOSUIMYKRDN-VQTJNVASSA-N 2 0 318.505 3.501 20 0 DHADRP Clc1ccc2cccnc2c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666903240 1032142057 /nfs/dbraw/zinc/14/20/57/1032142057.db2.gz BGIDNENVKOZZOV-CQSZACIVSA-N 2 0 303.837 3.510 20 0 DHADRP COc1ccccc1CC1([NH2+]C2CCC([NH+](C)C)CC2)CCC1 ZINC001168305272 1032142156 /nfs/dbraw/zinc/14/21/56/1032142156.db2.gz GKEBUDNYQTVYQY-UHFFFAOYSA-N 2 0 316.489 3.623 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]Cc3cccc(C[NH+](C)C)c3)cc21 ZINC000657300151 1016239562 /nfs/dbraw/zinc/23/95/62/1016239562.db2.gz JPKXOGMTKMYVRU-UHFFFAOYSA-N 2 0 307.441 3.828 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)c2cccc(Br)c21 ZINC000151945148 1016297102 /nfs/dbraw/zinc/29/71/02/1016297102.db2.gz WAKUTWHNKRFEFD-SMDDNHRTSA-N 2 0 311.267 3.539 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657312510 1016301299 /nfs/dbraw/zinc/30/12/99/1016301299.db2.gz KBNGIISWLYRXNX-GJZGRUSLSA-N 2 0 317.502 3.754 20 0 DHADRP CC(C)(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657329519 1016350280 /nfs/dbraw/zinc/35/02/80/1016350280.db2.gz NKWMIKSFQIMQJE-UHFFFAOYSA-N 2 0 320.440 3.725 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000346500566 1016422171 /nfs/dbraw/zinc/42/21/71/1016422171.db2.gz ZPXPMKVIVJMFFB-UWVAXJGDSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CCCO1 ZINC000346571776 1016446559 /nfs/dbraw/zinc/44/65/59/1016446559.db2.gz WVGQLGUDTSUEGR-PXNSSMCTSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000346651114 1016484920 /nfs/dbraw/zinc/48/49/20/1016484920.db2.gz GYMVCUPVTQZATA-OCCSQVGLSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346666515 1016501903 /nfs/dbraw/zinc/50/19/03/1016501903.db2.gz YKFYBSVQBFXDDZ-TZMCWYRMSA-N 2 0 304.434 3.723 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(F)cc3F)c2)CC1 ZINC000629692576 1016535877 /nfs/dbraw/zinc/53/58/77/1016535877.db2.gz PXIDFKKVUDLZQW-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc21 ZINC000657386330 1016566664 /nfs/dbraw/zinc/56/66/64/1016566664.db2.gz FFNPDINRJZNNBM-UHFFFAOYSA-N 2 0 311.473 3.973 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000629710105 1016583906 /nfs/dbraw/zinc/58/39/06/1016583906.db2.gz AAAFLPXMYMDMKS-UHFFFAOYSA-N 2 0 320.358 3.694 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1OC ZINC000152397952 1016588999 /nfs/dbraw/zinc/58/89/99/1016588999.db2.gz BYQIEFOHXUWCAU-DYVFJYSZSA-N 2 0 322.880 3.874 20 0 DHADRP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379892856 1016683097 /nfs/dbraw/zinc/68/30/97/1016683097.db2.gz FMCQLLNKKLGBTM-LAUBAEHRSA-N 2 0 320.480 3.654 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(C(F)F)cc1 ZINC000336714950 1016703027 /nfs/dbraw/zinc/70/30/27/1016703027.db2.gz OIOMPVZZFFUHDT-UHFFFAOYSA-N 2 0 304.384 3.975 20 0 DHADRP CSC1(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000336720535 1016704386 /nfs/dbraw/zinc/70/43/86/1016704386.db2.gz UFUCBCQEYNWALN-GOSISDBHSA-N 2 0 318.530 3.774 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CC[C@H]1[NH3+] ZINC000347104023 1016742560 /nfs/dbraw/zinc/74/25/60/1016742560.db2.gz KVXGHHOBSCGAEO-MLGOLLRUSA-N 2 0 304.434 3.723 20 0 DHADRP COCc1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000657429174 1016748814 /nfs/dbraw/zinc/74/88/14/1016748814.db2.gz GGPXEFLGSWTKRP-GDBMZVCRSA-N 2 0 322.518 3.637 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)F)cc1 ZINC000337612539 1016757501 /nfs/dbraw/zinc/75/75/01/1016757501.db2.gz ZKCIMVNITLSZST-QEJZJMRPSA-N 2 0 310.388 3.565 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000347213260 1016793589 /nfs/dbraw/zinc/79/35/89/1016793589.db2.gz PJIWNKULFMVAGT-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000049514866 1016846753 /nfs/dbraw/zinc/84/67/53/1016846753.db2.gz HNLYEQAYYSMPFE-RJPYNODJSA-N 2 0 323.278 3.725 20 0 DHADRP Clc1ccc(CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000671300572 1016894600 /nfs/dbraw/zinc/89/46/00/1016894600.db2.gz DJHNMPDEZUYGJD-KGLIPLIRSA-N 2 0 312.910 3.941 20 0 DHADRP C[C@@H]1CC(n2ccc3c2CC[NH2+]C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054666 1016933641 /nfs/dbraw/zinc/93/36/41/1016933641.db2.gz AENFNEJMINKBDF-IAGOWNOFSA-N 2 0 323.484 3.748 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000475072607 1016935583 /nfs/dbraw/zinc/93/55/83/1016935583.db2.gz YGGMWJRMXXPCBE-WSTZPKSXSA-N 2 0 322.537 3.514 20 0 DHADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623335887 1016964921 /nfs/dbraw/zinc/96/49/21/1016964921.db2.gz KGJZKVBFUXQKCA-OALUTQOASA-N 2 0 317.521 3.532 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cccc3n[nH]cc32)cc1 ZINC000623343712 1016971276 /nfs/dbraw/zinc/97/12/76/1016971276.db2.gz FFDRTCUUSDIIJS-UHFFFAOYSA-N 2 0 322.456 3.695 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)ccc12 ZINC000840780136 1016979165 /nfs/dbraw/zinc/97/91/65/1016979165.db2.gz QHTLADGPRNLXHR-FQEVSTJZSA-N 2 0 321.424 3.592 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC001167586732 1016984398 /nfs/dbraw/zinc/98/43/98/1016984398.db2.gz PJRGNUYRQDPGPF-UBDQQSCGSA-N 2 0 322.443 3.840 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC1(C)C ZINC000623376256 1017001523 /nfs/dbraw/zinc/00/15/23/1017001523.db2.gz MBHVSHRYLALUDK-FHWLQOOXSA-N 2 0 316.489 3.617 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3n[nH]cc32)c1 ZINC000623380080 1017012786 /nfs/dbraw/zinc/01/27/86/1017012786.db2.gz RAVSFEBTDRCFTK-UHFFFAOYSA-N 2 0 322.456 3.693 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471800 1017062111 /nfs/dbraw/zinc/06/21/11/1017062111.db2.gz UDHGFRPYJXFCCD-NEWSRXKRSA-N 2 0 316.489 3.617 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)CC1(C)C ZINC000623475619 1017063112 /nfs/dbraw/zinc/06/31/12/1017063112.db2.gz UZYBAJBRDZIVHD-GOSISDBHSA-N 2 0 316.489 3.588 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]CCCNc1ccccn1 ZINC000361923561 1032156152 /nfs/dbraw/zinc/15/61/52/1032156152.db2.gz DPWGWIFBHHFVJT-MRXNPFEDSA-N 2 0 301.821 3.814 20 0 DHADRP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000294999551 1032239737 /nfs/dbraw/zinc/23/97/37/1032239737.db2.gz LXQBBCMQFDVRLK-FPCVCCKLSA-N 2 0 304.865 3.802 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471801 1032248155 /nfs/dbraw/zinc/24/81/55/1032248155.db2.gz UDHGFRPYJXFCCD-NZSAHSFTSA-N 2 0 316.489 3.617 20 0 DHADRP CC[NH+]1CCC([NH2+]C/C=C/c2ccc(Br)cc2)CC1 ZINC000295040259 1032255652 /nfs/dbraw/zinc/25/56/52/1032255652.db2.gz ORGMFVZBYOEMCP-ONEGZZNKSA-N 2 0 323.278 3.536 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC001171309552 1032315352 /nfs/dbraw/zinc/31/53/52/1032315352.db2.gz YSMSRRZWEBCDSF-RTBURBONSA-N 2 0 304.453 3.707 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000119955186 1032333093 /nfs/dbraw/zinc/33/30/93/1032333093.db2.gz XTNWNSUPXIAOLP-HUUCEWRRSA-N 2 0 306.450 3.576 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)N(C)[C@@H]1CCCC[NH2+]C1 ZINC001247016853 1032360561 /nfs/dbraw/zinc/36/05/61/1032360561.db2.gz PVHWPDBOPMQRQG-SWLSCSKDSA-N 2 0 311.267 3.584 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)CCC2 ZINC000090585782 1032407336 /nfs/dbraw/zinc/40/73/36/1032407336.db2.gz OUSNCTIDXWCNIA-JKSUJKDBSA-N 2 0 321.534 3.787 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000121188798 1032426139 /nfs/dbraw/zinc/42/61/39/1032426139.db2.gz SGSHEDLVVKBEKQ-LBPRGKRZSA-N 2 0 316.367 3.578 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000666937631 1032443006 /nfs/dbraw/zinc/44/30/06/1032443006.db2.gz JLAGHBRPEKXKTL-SNVBAGLBSA-N 2 0 306.784 3.549 20 0 DHADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000475220706 1017090622 /nfs/dbraw/zinc/09/06/22/1017090622.db2.gz QMEDTUVUPWUORB-CEMLEFRQSA-N 2 0 320.480 3.902 20 0 DHADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122290325 1032524143 /nfs/dbraw/zinc/52/41/43/1032524143.db2.gz MNWLRGSXCOUXDD-HXUWFJFHSA-N 2 0 324.468 3.713 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000773081531 1032553823 /nfs/dbraw/zinc/55/38/23/1032553823.db2.gz CXSZTTHXWPSVQZ-OALUTQOASA-N 2 0 308.510 3.578 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)c1 ZINC000122543895 1032556199 /nfs/dbraw/zinc/55/61/99/1032556199.db2.gz LPBLWFXWGQNKLK-UZLBHIALSA-N 2 0 324.468 3.935 20 0 DHADRP C[C@@H](CCc1cccn1C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000122597417 1032564321 /nfs/dbraw/zinc/56/43/21/1032564321.db2.gz PNHXKKDRHIRJES-KRWDZBQOSA-N 2 0 317.521 3.733 20 0 DHADRP CC(C)Oc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000537647758 1032581581 /nfs/dbraw/zinc/58/15/81/1032581581.db2.gz HNBTXDWJLYEPGK-LJQANCHMSA-N 2 0 316.489 3.782 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001172846627 1033416717 /nfs/dbraw/zinc/41/67/17/1033416717.db2.gz WJCUBMKCMTYVGY-KGLIPLIRSA-N 2 0 312.860 3.732 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000151112588 1033418486 /nfs/dbraw/zinc/41/84/86/1033418486.db2.gz CSXDGYFHORIVTR-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1CCCOc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424287055 1011957176 /nfs/dbraw/zinc/95/71/76/1011957176.db2.gz IIFIQLOYFCDDFC-HNNXBMFYSA-N 2 0 322.880 3.573 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424292881 1011961096 /nfs/dbraw/zinc/96/10/96/1011961096.db2.gz ONWKMQCNNTZIHV-ZDUSSCGKSA-N 2 0 312.379 3.669 20 0 DHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424313197 1011974373 /nfs/dbraw/zinc/97/43/73/1011974373.db2.gz NHMCTMXTBXAQEU-VQTJNVASSA-N 2 0 322.537 3.562 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000061626136 1011984773 /nfs/dbraw/zinc/98/47/73/1011984773.db2.gz DBZZOGIHFMKKAR-LBPRGKRZSA-N 2 0 300.368 3.525 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000347209844 1017104411 /nfs/dbraw/zinc/10/44/11/1017104411.db2.gz NXHMOFSDCHPLGK-FXAWDEMLSA-N 2 0 324.468 3.825 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000579734464 1012005218 /nfs/dbraw/zinc/00/52/18/1012005218.db2.gz UKUDMYLWHVXMNE-HUUCEWRRSA-N 2 0 307.507 3.593 20 0 DHADRP Cc1nc2ccc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2s1 ZINC000424388624 1012016025 /nfs/dbraw/zinc/01/60/25/1012016025.db2.gz ZKWLNDSCSUTMSZ-ZDUSSCGKSA-N 2 0 315.486 3.569 20 0 DHADRP Fc1cccc2c1CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001171405431 1032595181 /nfs/dbraw/zinc/59/51/81/1032595181.db2.gz UWCFPOSKRBGLNF-KRWDZBQOSA-N 2 0 304.453 3.539 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)C[C@](C)(C[NH3+])C1 ZINC001171405423 1032595742 /nfs/dbraw/zinc/59/57/42/1032595742.db2.gz UTAGLTNYGUNOOM-GUXCAODWSA-N 2 0 318.480 3.816 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1 ZINC000643546219 1012095757 /nfs/dbraw/zinc/09/57/57/1012095757.db2.gz KJQHVHPYVSRIEJ-IUODEOHRSA-N 2 0 323.278 3.774 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548390 1012115461 /nfs/dbraw/zinc/11/54/61/1012115461.db2.gz OQTKCCYUTNRKIG-KBXCAEBGSA-N 2 0 314.473 3.682 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953799 1032602973 /nfs/dbraw/zinc/60/29/73/1032602973.db2.gz HYVUTMIVVJGIKB-HXUWFJFHSA-N 2 0 322.452 3.594 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(F)c1 ZINC000122382012 1032603384 /nfs/dbraw/zinc/60/33/84/1032603384.db2.gz ZSABRZLAISNACB-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP FC1(F)CCC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000513893246 1012217893 /nfs/dbraw/zinc/21/78/93/1012217893.db2.gz PQNNAKNMFKTBRT-OAHLLOKOSA-N 2 0 300.437 3.762 20 0 DHADRP CC(C)SCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000514235561 1012306458 /nfs/dbraw/zinc/30/64/58/1012306458.db2.gz FGRXQIZARWRQQI-DZFIZOCASA-N 2 0 320.546 3.874 20 0 DHADRP C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770397 1012331830 /nfs/dbraw/zinc/33/18/30/1012331830.db2.gz RXORQOOFCNSPFK-MNOVXSKESA-N 2 0 320.786 3.918 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+]([C@@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167956462 1012341608 /nfs/dbraw/zinc/34/16/08/1012341608.db2.gz QIWMOYXNLBSXKI-PLACYPQZSA-N 2 0 310.485 3.773 20 0 DHADRP Cc1ncccc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000153615702 1012435547 /nfs/dbraw/zinc/43/55/47/1012435547.db2.gz GTVAOHFJBOEGIT-IRXDYDNUSA-N 2 0 323.484 3.636 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000514828957 1012453136 /nfs/dbraw/zinc/45/31/36/1012453136.db2.gz YURNOLUZMADFBI-XKRYSZRTSA-N 2 0 312.501 3.860 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000514828955 1012453544 /nfs/dbraw/zinc/45/35/44/1012453544.db2.gz YURNOLUZMADFBI-MJCUULBUSA-N 2 0 312.501 3.860 20 0 DHADRP CC[NH+]1CCC(C[NH+]2CCC(c3ccc(F)cc3F)CC2)CC1 ZINC001208603335 1012453445 /nfs/dbraw/zinc/45/34/45/1012453445.db2.gz BLHGLCYKROFHRO-UHFFFAOYSA-N 2 0 322.443 3.876 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000425376722 1012511850 /nfs/dbraw/zinc/51/18/50/1012511850.db2.gz FQBPDMWOGJARNA-IPMKNSEASA-N 2 0 318.530 3.772 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC1CCCCCC1 ZINC000558403911 1012525747 /nfs/dbraw/zinc/52/57/47/1012525747.db2.gz PXDWMOYLVSPHMU-QRVBRYPASA-N 2 0 308.510 3.530 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000123345881 1032641896 /nfs/dbraw/zinc/64/18/96/1032641896.db2.gz RWEBLYUFAQXSPE-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP CC(C)[NH2+]CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000515346232 1012604185 /nfs/dbraw/zinc/60/41/85/1012604185.db2.gz UONNKAZJPCHIIR-UHFFFAOYSA-N 2 0 311.558 3.643 20 0 DHADRP CC(C)c1nccn1Cc1cccc(NC2=CC[N@H+](C)CC2)c1 ZINC001208844153 1012686131 /nfs/dbraw/zinc/68/61/31/1012686131.db2.gz NATDARBGVQFISX-UHFFFAOYSA-N 2 0 310.445 3.686 20 0 DHADRP COCCC1(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)CCCCC1 ZINC000436276866 1012710416 /nfs/dbraw/zinc/71/04/16/1012710416.db2.gz VRBAWPISJVOJBB-ROUUACIJSA-N 2 0 310.526 3.826 20 0 DHADRP COc1ccc2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000515845371 1012731718 /nfs/dbraw/zinc/73/17/18/1012731718.db2.gz DJVVSICFMIKTDK-HXUWFJFHSA-N 2 0 324.468 3.670 20 0 DHADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000154517473 1012759826 /nfs/dbraw/zinc/75/98/26/1012759826.db2.gz JBADEJSGNFALIJ-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171435040 1032661809 /nfs/dbraw/zinc/66/18/09/1032661809.db2.gz WGSVVOSCAGKXFB-SFHVURJKSA-N 2 0 318.480 3.735 20 0 DHADRP FCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000516883294 1012855889 /nfs/dbraw/zinc/85/58/89/1012855889.db2.gz UZFUFKQWDMKEBL-IPMKNSEASA-N 2 0 304.453 3.626 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CCCC1 ZINC000425921457 1012954492 /nfs/dbraw/zinc/95/44/92/1012954492.db2.gz LPXWCAUYYLOQTE-BEFAXECRSA-N 2 0 304.478 3.714 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000517567801 1013014626 /nfs/dbraw/zinc/01/46/26/1013014626.db2.gz SDGBXXBJTTUJHW-HZPDHXFCSA-N 2 0 312.457 3.886 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cncs1 ZINC000154855694 1013040491 /nfs/dbraw/zinc/04/04/91/1013040491.db2.gz UENGYUCQPAPLOC-CQSZACIVSA-N 2 0 303.475 3.834 20 0 DHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2C)cc1 ZINC000153013326 1017152496 /nfs/dbraw/zinc/15/24/96/1017152496.db2.gz OPRFFLYCUDBUOJ-ZIAGYGMSSA-N 2 0 323.444 3.634 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000623656885 1017154223 /nfs/dbraw/zinc/15/42/23/1017154223.db2.gz DOYFDWMQMCQSLZ-GOSISDBHSA-N 2 0 309.457 3.570 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534118 1017213284 /nfs/dbraw/zinc/21/32/84/1017213284.db2.gz DZRZGRYRGRLQET-PKOBYXMFSA-N 2 0 323.484 3.828 20 0 DHADRP C[C@H]1CC([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064651 1017215690 /nfs/dbraw/zinc/21/56/90/1017215690.db2.gz RAZWXSWOYASTPU-HVXNZKGKSA-N 2 0 316.464 3.575 20 0 DHADRP Cc1nccn1CCCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179983146 1017339820 /nfs/dbraw/zinc/33/98/20/1017339820.db2.gz IATROVHYMHJZFA-UHFFFAOYSA-N 2 0 319.399 3.919 20 0 DHADRP CC[NH+]1CCC([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000716291185 1032693161 /nfs/dbraw/zinc/69/31/61/1032693161.db2.gz BUTZJJZUHFPIQI-UHFFFAOYSA-N 2 0 301.261 3.610 20 0 DHADRP Cc1ccncc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716653777 1032700129 /nfs/dbraw/zinc/70/01/29/1032700129.db2.gz BZUSZVJXZFGBAK-TYPHKJRUSA-N 2 0 321.468 3.533 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000125282589 1032700466 /nfs/dbraw/zinc/70/04/66/1032700466.db2.gz FJFXKOWXESDPGE-INIZCTEOSA-N 2 0 308.466 3.684 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623862137 1017537457 /nfs/dbraw/zinc/53/74/57/1017537457.db2.gz MZDICDQDHARDMP-VQIMIIECSA-N 2 0 304.478 3.574 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623864120 1017541991 /nfs/dbraw/zinc/54/19/91/1017541991.db2.gz GXKGFRKRFSWNTE-OAHLLOKOSA-N 2 0 307.507 3.622 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CC(F)F ZINC000716727109 1032706732 /nfs/dbraw/zinc/70/67/32/1032706732.db2.gz IDLCXPVKRNFXTC-SPUZQDLCSA-N 2 0 322.443 3.920 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)c1 ZINC000623877337 1017549236 /nfs/dbraw/zinc/54/92/36/1017549236.db2.gz ZAOPVIRRDQTWSJ-LPHOPBHVSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613561 1017583355 /nfs/dbraw/zinc/58/33/55/1017583355.db2.gz NNAMVXHQEAVGQF-LPHOPBHVSA-N 2 0 315.505 3.708 20 0 DHADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000623928208 1017583871 /nfs/dbraw/zinc/58/38/71/1017583871.db2.gz HYFGSVXTQZMPHI-ZDUSSCGKSA-N 2 0 323.278 3.670 20 0 DHADRP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)CC1(C)C ZINC000623931661 1017584108 /nfs/dbraw/zinc/58/41/08/1017584108.db2.gz DTPJFGSGBLQSOS-IBGZPJMESA-N 2 0 315.505 3.957 20 0 DHADRP C[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCCCC3)c2)CC1(C)C ZINC000623931663 1017584669 /nfs/dbraw/zinc/58/46/69/1017584669.db2.gz DTPJFGSGBLQSOS-LJQANCHMSA-N 2 0 315.505 3.957 20 0 DHADRP Clc1ccc2c(n1)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC000857912730 1032714969 /nfs/dbraw/zinc/71/49/69/1032714969.db2.gz MWGSAWOQQMRLGW-HNNXBMFYSA-N 2 0 307.869 3.578 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@]3(C)CCCS3)C2)CC1 ZINC000628156698 1017601820 /nfs/dbraw/zinc/60/18/20/1017601820.db2.gz ZHFCZRIFZNSANH-ZWKOTPCHSA-N 2 0 310.551 3.716 20 0 DHADRP Cc1ccc(C[NH+]2CCCC2)cc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623954113 1017604852 /nfs/dbraw/zinc/60/48/52/1017604852.db2.gz AJKLDAPFXOBITK-GOSISDBHSA-N 2 0 315.505 3.876 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccc(C)c(C)c1 ZINC000657626852 1017608746 /nfs/dbraw/zinc/60/87/46/1017608746.db2.gz QPCQTZCVSRGXTN-UHFFFAOYSA-N 2 0 320.440 3.525 20 0 DHADRP C[C@@H](CN[C@@H](C)c1ccc(F)cc1C(F)(F)F)C[NH+](C)C ZINC000623987755 1017616069 /nfs/dbraw/zinc/61/60/69/1017616069.db2.gz NOJMZBOXYUJCLU-QWRGUYRKSA-N 2 0 306.347 3.693 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454611 1032714203 /nfs/dbraw/zinc/71/42/03/1032714203.db2.gz VVXRIJFEFAFAMJ-HNNXBMFYSA-N 2 0 322.443 3.802 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1F ZINC000624120567 1017691238 /nfs/dbraw/zinc/69/12/38/1017691238.db2.gz BRWCCZRTOPAQDW-KGLIPLIRSA-N 2 0 310.482 3.930 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000624120544 1017693636 /nfs/dbraw/zinc/69/36/36/1017693636.db2.gz BLAGFXMGZIXHAM-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP COCCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000624123592 1017696166 /nfs/dbraw/zinc/69/61/66/1017696166.db2.gz ORXJYKVEHDSGFQ-QFBILLFUSA-N 2 0 322.468 3.615 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000624146578 1017710304 /nfs/dbraw/zinc/71/03/04/1017710304.db2.gz CJHVNDICSOMJSC-FSGKZVOOSA-N 2 0 322.537 3.823 20 0 DHADRP C/C(=C\c1ccccc1)C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237667107 1017712508 /nfs/dbraw/zinc/71/25/08/1017712508.db2.gz UORHHANKWSGQFX-SJODPALPSA-N 2 0 316.489 3.569 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001167628618 1017744783 /nfs/dbraw/zinc/74/47/83/1017744783.db2.gz VLPPAWLRYXIFCX-MRXNPFEDSA-N 2 0 315.505 3.638 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1OCC ZINC000181398889 1017747474 /nfs/dbraw/zinc/74/74/74/1017747474.db2.gz YORZABKUFQCKAQ-NVXWUHKLSA-N 2 0 320.477 3.619 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C12CCC2 ZINC000181626325 1017778553 /nfs/dbraw/zinc/77/85/53/1017778553.db2.gz XRUYRWJBPGIVPL-RBUKOAKNSA-N 2 0 320.521 3.578 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C(C)(C)C ZINC000523863575 1017812336 /nfs/dbraw/zinc/81/23/36/1017812336.db2.gz SUEPCJRWCNUEHM-OAHLLOKOSA-N 2 0 300.849 3.935 20 0 DHADRP CC[C@H](CSc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090778427 1017817014 /nfs/dbraw/zinc/81/70/14/1017817014.db2.gz PZPFEPQQVZHDIR-IXDOHACOSA-N 2 0 304.503 3.774 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1ccccc1 ZINC000666977372 1032725476 /nfs/dbraw/zinc/72/54/76/1032725476.db2.gz CUUOOFRBWOCJLE-HXUWFJFHSA-N 2 0 305.425 3.805 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183353436 1018015635 /nfs/dbraw/zinc/01/56/35/1018015635.db2.gz ATIHNRGBWSUNHF-FUHWJXTLSA-N 2 0 304.453 3.565 20 0 DHADRP c1sc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150759175 1018056564 /nfs/dbraw/zinc/05/65/64/1018056564.db2.gz OCQUSUWOFUUJOY-HNNXBMFYSA-N 2 0 300.471 3.819 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)CC2 ZINC000184512362 1018083144 /nfs/dbraw/zinc/08/31/44/1018083144.db2.gz HURIXFLLOJXTHX-HNAYVOBHSA-N 2 0 302.462 3.537 20 0 DHADRP CCC[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1cccnc1 ZINC000184932927 1018098111 /nfs/dbraw/zinc/09/81/11/1018098111.db2.gz QJQVEJFJGJXIOP-OAQYLSRUSA-N 2 0 323.484 3.961 20 0 DHADRP Cc1cccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185734240 1018127094 /nfs/dbraw/zinc/12/70/94/1018127094.db2.gz VGBMMFBUQIXVEZ-MSOLQXFVSA-N 2 0 316.489 3.616 20 0 DHADRP CCN(Cc1ccc(C)cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000154180983 1018129337 /nfs/dbraw/zinc/12/93/37/1018129337.db2.gz OOFMSPAZOKHUER-FQEVSTJZSA-N 2 0 323.484 3.734 20 0 DHADRP CC1(C)[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1(F)F ZINC000657736802 1018130178 /nfs/dbraw/zinc/13/01/78/1018130178.db2.gz FYXMGVPFGOHYMD-MRXNPFEDSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000657738687 1018151298 /nfs/dbraw/zinc/15/12/98/1018151298.db2.gz NANOXNBLMGUNED-PVAVHDDUSA-N 2 0 322.443 3.920 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1 ZINC000194455928 1018192147 /nfs/dbraw/zinc/19/21/47/1018192147.db2.gz XIOKJSALOLKHPX-HNNXBMFYSA-N 2 0 300.421 3.781 20 0 DHADRP CC(C)c1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001238727438 1018201491 /nfs/dbraw/zinc/20/14/91/1018201491.db2.gz IQKYQJSNWFLJCL-UHFFFAOYSA-N 2 0 309.885 3.632 20 0 DHADRP C[NH2+]C[C@@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394438390 1018214475 /nfs/dbraw/zinc/21/44/75/1018214475.db2.gz LFHOQOJYJFVCLJ-FQEVSTJZSA-N 2 0 324.468 3.697 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000040620767 1018219818 /nfs/dbraw/zinc/21/98/18/1018219818.db2.gz HVASMCPUMRTTHQ-CQSZACIVSA-N 2 0 300.368 3.525 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446741915 1018230241 /nfs/dbraw/zinc/23/02/41/1018230241.db2.gz CRMYFERMXXKPRY-VQTJNVASSA-N 2 0 318.505 3.549 20 0 DHADRP Clc1cccc2c1CC[C@H]2[NH+]1CCC(n2ccnc2)CC1 ZINC000155188232 1018252728 /nfs/dbraw/zinc/25/27/28/1018252728.db2.gz IWMNPNMTLBVZMM-QGZVFWFLSA-N 2 0 301.821 3.861 20 0 DHADRP C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)C[NH+](C)C ZINC000394441228 1018275839 /nfs/dbraw/zinc/27/58/39/1018275839.db2.gz NCWNOYXHYFJTLW-QGZVFWFLSA-N 2 0 312.457 3.553 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@]3(C)CC3(F)F)CC2)C1 ZINC000658217118 1018284457 /nfs/dbraw/zinc/28/44/57/1018284457.db2.gz DQTPZOXKDIRJIK-FVQBIDKESA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC2CCC1CC2 ZINC000381891867 1018285553 /nfs/dbraw/zinc/28/55/53/1018285553.db2.gz LLSAKMDDZDTAPQ-MVBPIPQGSA-N 2 0 313.489 3.855 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000125492235 1018289393 /nfs/dbraw/zinc/28/93/93/1018289393.db2.gz ZUBSJUXGJODZDY-AWEZNQCLSA-N 2 0 304.459 3.904 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C3c4ccccc4-c4ccccc43)C[C@@H]21 ZINC000261629876 1018386136 /nfs/dbraw/zinc/38/61/36/1018386136.db2.gz CXBXUEIFXQOFAG-VOBQZIQPSA-N 2 0 304.437 3.816 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc2c(s1)CCC2 ZINC000447558344 1018425093 /nfs/dbraw/zinc/42/50/93/1018425093.db2.gz NSYJZEKZZNIZPD-ZDUSSCGKSA-N 2 0 304.503 3.762 20 0 DHADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)cc1 ZINC000261836739 1018454818 /nfs/dbraw/zinc/45/48/18/1018454818.db2.gz CAPPSUHWTZIMMZ-AWEZNQCLSA-N 2 0 315.486 3.678 20 0 DHADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000367392340 1018455851 /nfs/dbraw/zinc/45/58/51/1018455851.db2.gz OSQAIJPBEKYEPR-KSSFIOAISA-N 2 0 320.440 3.655 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1csc2ccccc12 ZINC000843341202 1018471019 /nfs/dbraw/zinc/47/10/19/1018471019.db2.gz SGIUYSATMSWRHT-BYNSBNAKSA-N 2 0 300.471 3.940 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CC1(C)C ZINC000785478643 1018477104 /nfs/dbraw/zinc/47/71/04/1018477104.db2.gz XWSBJOZILBGVRS-BEFAXECRSA-N 2 0 315.505 3.746 20 0 DHADRP COc1ccc([C@H](C)C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC000447899549 1018500687 /nfs/dbraw/zinc/50/06/87/1018500687.db2.gz UIYHZDIDAYGKRD-CRAIPNDOSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1nccc2ccccc21 ZINC000635003975 1018509282 /nfs/dbraw/zinc/50/92/82/1018509282.db2.gz CEYSLVFRKWGQNS-LPHOPBHVSA-N 2 0 319.452 3.846 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000650712632 1018546259 /nfs/dbraw/zinc/54/62/59/1018546259.db2.gz MPXJFUMDEFNDHU-UHFFFAOYSA-N 2 0 306.759 3.577 20 0 DHADRP C[C@H](CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1ccccc1 ZINC000650724126 1018581774 /nfs/dbraw/zinc/58/17/74/1018581774.db2.gz YNXYYOYSFSRRJW-MDNKFWRPSA-N 2 0 316.489 3.541 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC000650724846 1018583147 /nfs/dbraw/zinc/58/31/47/1018583147.db2.gz NGVKLGAJPJAZFI-OLZOCXBDSA-N 2 0 312.379 3.672 20 0 DHADRP C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2s1)C1CC[NH+](C)CC1 ZINC000675771650 1018583937 /nfs/dbraw/zinc/58/39/37/1018583937.db2.gz ZHXREVJFDOVPHY-LLVKDONJSA-N 2 0 323.893 3.770 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000675813131 1018599258 /nfs/dbraw/zinc/59/92/58/1018599258.db2.gz GIZQAKUMSJKZSA-ZCNNSNEGSA-N 2 0 300.490 3.719 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCc1cccc(Cl)c1)C2 ZINC001279632941 1018640917 /nfs/dbraw/zinc/64/09/17/1018640917.db2.gz VJCUEFORZPIOMH-SFHVURJKSA-N 2 0 306.881 3.690 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001171560606 1032780911 /nfs/dbraw/zinc/78/09/11/1032780911.db2.gz UEBVVXABHOKKHC-LJQANCHMSA-N 2 0 321.468 3.506 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001172874711 1033446753 /nfs/dbraw/zinc/44/67/53/1033446753.db2.gz ICFAIBUKMAIHDA-UKRRQHHQSA-N 2 0 312.910 3.895 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000650757243 1018685170 /nfs/dbraw/zinc/68/51/70/1018685170.db2.gz SDHFEYJNXDCRRH-YLJYHZDGSA-N 2 0 323.484 3.925 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000650758253 1018694139 /nfs/dbraw/zinc/69/41/39/1018694139.db2.gz LULSCFJCYABRDD-CQSZACIVSA-N 2 0 300.471 3.979 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc3N2)c2ccccc21 ZINC000650760047 1018703793 /nfs/dbraw/zinc/70/37/93/1018703793.db2.gz VXNYJVGISWBEOG-XFQXTVEOSA-N 2 0 307.441 3.538 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)C2)cc1 ZINC000650761539 1018705214 /nfs/dbraw/zinc/70/52/14/1018705214.db2.gz BYEKUPSFGOVNBS-AEFFLSMTSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762753 1018709614 /nfs/dbraw/zinc/70/96/14/1018709614.db2.gz JCFYQZKBJLRRTE-CYBMUJFWSA-N 2 0 314.395 3.616 20 0 DHADRP COc1ccc(C2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000650763293 1018712030 /nfs/dbraw/zinc/71/20/30/1018712030.db2.gz XDRFAVNGRLJJHI-UHFFFAOYSA-N 2 0 316.489 3.701 20 0 DHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000650763692 1018712426 /nfs/dbraw/zinc/71/24/26/1018712426.db2.gz HEBFVURKVSAHDB-AWEZNQCLSA-N 2 0 315.486 3.850 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001171560608 1032780320 /nfs/dbraw/zinc/78/03/20/1032780320.db2.gz UEKRWCGUTGSRBE-LJQANCHMSA-N 2 0 314.517 3.952 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000314493092 1018731890 /nfs/dbraw/zinc/73/18/90/1018731890.db2.gz BLMCGYWLIMUEQF-ZBFHGGJFSA-N 2 0 312.379 3.669 20 0 DHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125256195 1032786223 /nfs/dbraw/zinc/78/62/23/1032786223.db2.gz QYFZLHNJQZEYDR-JMGFVUJMSA-N 2 0 323.278 3.569 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001171563056 1032783903 /nfs/dbraw/zinc/78/39/03/1032783903.db2.gz CSSXGCDXXGBEEE-FQEVSTJZSA-N 2 0 312.501 3.803 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000566777944 1018758727 /nfs/dbraw/zinc/75/87/27/1018758727.db2.gz LHNNYHMMRLBOFK-CVEARBPZSA-N 2 0 300.446 3.684 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000676571786 1018774546 /nfs/dbraw/zinc/77/45/46/1018774546.db2.gz HDLIDRGQITVKPE-PMACEKPBSA-N 2 0 316.489 3.720 20 0 DHADRP CCOc1cccc([C@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000765430480 1018782930 /nfs/dbraw/zinc/78/29/30/1018782930.db2.gz YHOWMISJSHDUIM-HNNXBMFYSA-N 2 0 302.462 3.753 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOc1ccc(C(C)(C)C)cc1 ZINC000584001937 1018822536 /nfs/dbraw/zinc/82/25/36/1018822536.db2.gz FQDCJEVKAWPEPQ-NVXWUHKLSA-N 2 0 304.478 3.565 20 0 DHADRP FC(F)(F)CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000158587812 1018857317 /nfs/dbraw/zinc/85/73/17/1018857317.db2.gz WPKMOTBYDVBLDS-HIFRSBDPSA-N 2 0 304.400 3.668 20 0 DHADRP COc1ccc2c(NC[C@H]3CC[N@H+](CC(C)C)C3)cc[nH+]c2c1 ZINC000765525338 1018867521 /nfs/dbraw/zinc/86/75/21/1018867521.db2.gz LKDRKJWJGSKZRP-OAHLLOKOSA-N 2 0 313.445 3.633 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)CC1 ZINC000921810733 1018892291 /nfs/dbraw/zinc/89/22/91/1018892291.db2.gz UTIJGLWMSOBJPW-ZIFCJYIRSA-N 2 0 320.521 3.578 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](F)C(F)(F)CC2)CC1(C)C ZINC001171629142 1032794281 /nfs/dbraw/zinc/79/42/81/1032794281.db2.gz NPYMPUBVUHIMMW-CYBMUJFWSA-N 2 0 306.416 3.707 20 0 DHADRP CC(C)CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000584080624 1018929956 /nfs/dbraw/zinc/92/99/56/1018929956.db2.gz KUTYOYQDHNVAHL-PXNSSMCTSA-N 2 0 318.505 3.884 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H]2c2cccnc2)CC1(C)C ZINC001171628731 1032796033 /nfs/dbraw/zinc/79/60/33/1032796033.db2.gz IHAZOBHLPVVDNY-QGZVFWFLSA-N 2 0 301.478 3.870 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684836 1018970104 /nfs/dbraw/zinc/97/01/04/1018970104.db2.gz MAVPILXPCJCEPI-MRXNPFEDSA-N 2 0 306.881 3.517 20 0 DHADRP [NH3+]CC[C@@H]1CN(c2cccc(C3=[NH+]CCC3)c2)c2ccccc21 ZINC001168548067 1018996936 /nfs/dbraw/zinc/99/69/36/1018996936.db2.gz JVJRVGRADGIOCG-MRXNPFEDSA-N 2 0 305.425 3.854 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCCOCc2ccccc2)CC1(C)C ZINC001171621577 1032804311 /nfs/dbraw/zinc/80/43/11/1032804311.db2.gz NJAOMQZXPZNAQZ-UHFFFAOYSA-N 2 0 318.505 3.834 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624530 1032806612 /nfs/dbraw/zinc/80/66/12/1032806612.db2.gz VGFCVKWHXDJUEU-SJORKVTESA-N 2 0 304.453 3.923 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC2(c3ccccc3)CC2)CC1(C)C ZINC001171625720 1032806897 /nfs/dbraw/zinc/80/68/97/1032806897.db2.gz MXMJNYDITLBTAH-UHFFFAOYSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000708511463 1019098591 /nfs/dbraw/zinc/09/85/91/1019098591.db2.gz OGZRDASMRPATFX-BHIYHBOVSA-N 2 0 318.530 3.630 20 0 DHADRP Cc1ccnc(CCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171623301 1032808023 /nfs/dbraw/zinc/80/80/23/1032808023.db2.gz SGHMTKUHEOVYJV-UHFFFAOYSA-N 2 0 303.494 3.564 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004837 1019123578 /nfs/dbraw/zinc/12/35/78/1019123578.db2.gz GSLNANIZINBVJI-MRVWCRGKSA-N 2 0 309.523 3.917 20 0 DHADRP c1ccc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c2)nc1 ZINC000666996883 1032809254 /nfs/dbraw/zinc/80/92/54/1032809254.db2.gz KHQZHLBLAURYAI-GOSISDBHSA-N 2 0 307.441 3.513 20 0 DHADRP Cc1ccnc(C(C)(C)C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171626947 1032810267 /nfs/dbraw/zinc/81/02/67/1032810267.db2.gz IFPWJRZPCDYAHZ-UHFFFAOYSA-N 2 0 317.521 3.909 20 0 DHADRP Cc1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)sc1C(C)(C)C ZINC000923356986 1019152128 /nfs/dbraw/zinc/15/21/28/1019152128.db2.gz KZWAUXLQQKOGNM-OAHLLOKOSA-N 2 0 321.534 3.571 20 0 DHADRP c1cc(N2CCC(C[NH2+]C(C3CCC3)C3CCC3)CC2)cc[nH+]1 ZINC000338775197 1019168609 /nfs/dbraw/zinc/16/86/09/1019168609.db2.gz OOANDDUZXNBIGG-UHFFFAOYSA-N 2 0 313.489 3.856 20 0 DHADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449220 1019209339 /nfs/dbraw/zinc/20/93/39/1019209339.db2.gz LRWDDSSWSVDREF-FUHWJXTLSA-N 2 0 324.468 3.731 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(Cl)cn1 ZINC000626062663 1019279801 /nfs/dbraw/zinc/27/98/01/1019279801.db2.gz AOBDIUUYZSFIGM-UHFFFAOYSA-N 2 0 317.864 3.819 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C)nc1C ZINC000626063162 1019282552 /nfs/dbraw/zinc/28/25/52/1019282552.db2.gz UCJHHRVWVDSOQU-UHFFFAOYSA-N 2 0 311.473 3.782 20 0 DHADRP C[C@H]1COC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000924633837 1032827146 /nfs/dbraw/zinc/82/71/46/1032827146.db2.gz KQOHDRMXGCDINK-HRAATJIYSA-N 2 0 324.468 3.540 20 0 DHADRP CC(C)[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccnc1 ZINC000091367586 1019462880 /nfs/dbraw/zinc/46/28/80/1019462880.db2.gz ZWRSIYSLKZJGGS-IBGZPJMESA-N 2 0 301.478 3.775 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000161598285 1019468239 /nfs/dbraw/zinc/46/82/39/1019468239.db2.gz VTFGYVZNAGRYEY-AWEZNQCLSA-N 2 0 306.881 3.692 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1(C)C ZINC001171638231 1032835018 /nfs/dbraw/zinc/83/50/18/1032835018.db2.gz XTBOWGFVZNDHIO-GOSISDBHSA-N 2 0 316.489 3.791 20 0 DHADRP C[N@H+](CCc1cccc(F)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641096 1032835311 /nfs/dbraw/zinc/83/53/11/1032835311.db2.gz MTHJCPSOCFOBPD-UHFFFAOYSA-N 2 0 306.469 3.951 20 0 DHADRP Cc1occc1C[NH+](C)C/C=C\C[N@@H+](C)Cc1ccoc1C ZINC000255616769 1019523379 /nfs/dbraw/zinc/52/33/79/1019523379.db2.gz IMSLYELFTPKQOO-WAYWQWQTSA-N 2 0 302.418 3.609 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)cn1 ZINC000092739415 1019534331 /nfs/dbraw/zinc/53/43/31/1019534331.db2.gz AFXZIBXLQHJUKX-OAGGEKHMSA-N 2 0 307.457 3.629 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000163070882 1019562723 /nfs/dbraw/zinc/56/27/23/1019562723.db2.gz JPYFUCBIJCRSDD-BEFAXECRSA-N 2 0 304.478 3.712 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000093688553 1019579828 /nfs/dbraw/zinc/57/98/28/1019579828.db2.gz NXDQQJYXPLPZFI-UXHICEINSA-N 2 0 300.490 3.844 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C(F)F ZINC000657868509 1019593687 /nfs/dbraw/zinc/59/36/87/1019593687.db2.gz UUSSWMXRDOHBLZ-WBVHZDCISA-N 2 0 324.459 3.820 20 0 DHADRP C[C@H]([NH2+]CCc1c[nH]c2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000624331666 1019619819 /nfs/dbraw/zinc/61/98/19/1019619819.db2.gz GLSDSKYBVWXHIW-ZDUSSCGKSA-N 2 0 319.880 3.684 20 0 DHADRP Fc1cccc2c1SCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278544452 1019650376 /nfs/dbraw/zinc/65/03/76/1019650376.db2.gz VFLJEIIFIQQQFE-KRWDZBQOSA-N 2 0 320.477 3.827 20 0 DHADRP c1cncc(C[NH+]2CCC(Nc3ccc4c[nH+]ccc4c3)CC2)c1 ZINC000168444795 1019702742 /nfs/dbraw/zinc/70/27/42/1019702742.db2.gz BQMSNSGGLTUJIT-UHFFFAOYSA-N 2 0 318.424 3.706 20 0 DHADRP COC1([C@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)CCC1 ZINC000657882695 1019740300 /nfs/dbraw/zinc/74/03/00/1019740300.db2.gz UXFHKQLQBNMUPJ-HOTGVXAUSA-N 2 0 304.478 3.663 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000062426924 1019774457 /nfs/dbraw/zinc/77/44/57/1019774457.db2.gz MCAXHYYBIZDPDL-SFHVURJKSA-N 2 0 316.489 3.828 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001168710090 1019820026 /nfs/dbraw/zinc/82/00/26/1019820026.db2.gz XCTWDNYREWSOFA-KRWDZBQOSA-N 2 0 318.892 3.661 20 0 DHADRP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685463124 1019844069 /nfs/dbraw/zinc/84/40/69/1019844069.db2.gz JQPMPUOBWAIOCS-KRWDZBQOSA-N 2 0 306.881 3.812 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000671739659 1019869533 /nfs/dbraw/zinc/86/95/33/1019869533.db2.gz NOTVAWOSGYFUSU-ZCNNSNEGSA-N 2 0 300.490 3.698 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671738737 1019875360 /nfs/dbraw/zinc/87/53/60/1019875360.db2.gz DSSNEMAHFQKBBN-ZIAGYGMSSA-N 2 0 319.449 3.695 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166295770 1019891771 /nfs/dbraw/zinc/89/17/71/1019891771.db2.gz ZDGORQZJBQOBBC-IAGOWNOFSA-N 2 0 322.880 3.634 20 0 DHADRP C[C@H](CC[NH2+][C@H]1CCCSCC1)[N@H+](C)Cc1ccccc1 ZINC000657900150 1019901674 /nfs/dbraw/zinc/90/16/74/1019901674.db2.gz MRXOZPVCPXCFFF-AEFFLSMTSA-N 2 0 306.519 3.772 20 0 DHADRP CC(C)C1CC([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309653355 1019937974 /nfs/dbraw/zinc/93/79/74/1019937974.db2.gz ASTAGYRCTZZIFV-SOAGJPPSSA-N 2 0 300.490 3.923 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168719274 1019958875 /nfs/dbraw/zinc/95/88/75/1019958875.db2.gz VYUBKOGWNMPIAQ-AVVWSFFYSA-N 2 0 306.881 3.517 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205047481 1019966748 /nfs/dbraw/zinc/96/67/48/1019966748.db2.gz VXSXRYPSRZCBTE-UHFFFAOYSA-N 2 0 306.759 3.530 20 0 DHADRP C[C@@H]([NH2+]CCn1ccc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000671765024 1020011177 /nfs/dbraw/zinc/01/11/77/1020011177.db2.gz RFYIAYDWHRPZSJ-CQSZACIVSA-N 2 0 319.880 3.615 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000922506340 1020106773 /nfs/dbraw/zinc/10/67/73/1020106773.db2.gz YTMVDOWIPYKEBJ-UHFFFAOYSA-N 2 0 307.869 3.622 20 0 DHADRP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000658077435 1020122105 /nfs/dbraw/zinc/12/21/05/1020122105.db2.gz QBSXRPGYXRBIIM-QGZVFWFLSA-N 2 0 306.469 3.999 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658069071 1020128398 /nfs/dbraw/zinc/12/83/98/1020128398.db2.gz LAJZFNCSESQXPM-QGZVFWFLSA-N 2 0 316.489 3.537 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccs1 ZINC000658070520 1020129013 /nfs/dbraw/zinc/12/90/13/1020129013.db2.gz WTVLSYPHUATLSF-QGZVFWFLSA-N 2 0 322.518 3.680 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658090999 1020134365 /nfs/dbraw/zinc/13/43/65/1020134365.db2.gz OGQFKLZZHITHHG-HQRMLTQVSA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677871 1020138091 /nfs/dbraw/zinc/13/80/91/1020138091.db2.gz ANQILGFJGGHZHE-QGZVFWFLSA-N 2 0 316.489 3.612 20 0 DHADRP CC(C)(C)N1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658095250 1020141418 /nfs/dbraw/zinc/14/14/18/1020141418.db2.gz FOOFLHFCEFRTSL-UPTPFMHGSA-N 2 0 308.510 3.719 20 0 DHADRP Fc1cc(C[NH2+][C@H](c2ccccn2)C2CC2)ccc1-n1ccnc1 ZINC000922586960 1020145878 /nfs/dbraw/zinc/14/58/78/1020145878.db2.gz URORMFBEMLBIRL-IBGZPJMESA-N 2 0 322.387 3.647 20 0 DHADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000309902983 1020179569 /nfs/dbraw/zinc/17/95/69/1020179569.db2.gz WWVRMEJGYGPPJO-QGZVFWFLSA-N 2 0 324.468 3.794 20 0 DHADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658161727 1020195931 /nfs/dbraw/zinc/19/59/31/1020195931.db2.gz AEZFGQTUHKQSAZ-FUHIMQAGSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C1 ZINC000658165796 1020197205 /nfs/dbraw/zinc/19/72/05/1020197205.db2.gz LVBOYFJCYHEJNN-UWVAXJGDSA-N 2 0 315.505 3.708 20 0 DHADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166073 1020197449 /nfs/dbraw/zinc/19/74/49/1020197449.db2.gz MGWTUILTCMPOIW-WOJBJXKFSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000658164921 1020197522 /nfs/dbraw/zinc/19/75/22/1020197522.db2.gz GRHDEQIIKZMFCD-KRWDZBQOSA-N 2 0 315.505 3.852 20 0 DHADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165425 1020200463 /nfs/dbraw/zinc/20/04/63/1020200463.db2.gz JPBNZMHOBVJION-PMACEKPBSA-N 2 0 315.505 3.852 20 0 DHADRP CCC(CC)[NH+]1CCC(C[NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786204 1032885610 /nfs/dbraw/zinc/88/56/10/1032885610.db2.gz YPOZEYCQNKSRGZ-KRWDZBQOSA-N 2 0 318.480 3.783 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658250070 1020255489 /nfs/dbraw/zinc/25/54/89/1020255489.db2.gz AFRRUJKMPAUFJC-SJORKVTESA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658281177 1020275507 /nfs/dbraw/zinc/27/55/07/1020275507.db2.gz NMNXJMWTSHMEGS-XIRDDKMYSA-N 2 0 322.443 3.778 20 0 DHADRP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000658300057 1020287844 /nfs/dbraw/zinc/28/78/44/1020287844.db2.gz IZGGVDZNIYHTCZ-AHRSYUTCSA-N 2 0 300.490 3.921 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000922847269 1020307576 /nfs/dbraw/zinc/30/75/76/1020307576.db2.gz YTJNBNGPKMAWHH-XBMUEBEBSA-N 2 0 320.521 3.865 20 0 DHADRP COc1ccccc1/C=C/C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848499 1020307613 /nfs/dbraw/zinc/30/76/13/1020307613.db2.gz UUPXLLMKCRIFJR-VMPITWQZSA-N 2 0 314.473 3.705 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1F ZINC000658356283 1020320473 /nfs/dbraw/zinc/32/04/73/1020320473.db2.gz NETJGMJDVMHTQR-LJQANCHMSA-N 2 0 304.453 3.988 20 0 DHADRP FC(F)C1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658351791 1020320725 /nfs/dbraw/zinc/32/07/25/1020320725.db2.gz AMWWROJKPWLPJV-UHFFFAOYSA-N 2 0 300.437 3.522 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843113487 1020359718 /nfs/dbraw/zinc/35/97/18/1020359718.db2.gz VEROMVFYGSGMDS-GFCCVEGCSA-N 2 0 300.418 3.562 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000625082707 1020364631 /nfs/dbraw/zinc/36/46/31/1020364631.db2.gz MPQYWMMAAAKTHG-UHFFFAOYSA-N 2 0 310.869 3.599 20 0 DHADRP CSC1(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000347776737 1020377043 /nfs/dbraw/zinc/37/70/43/1020377043.db2.gz IJJYFPOOCRWMMO-WMZOPIPTSA-N 2 0 318.530 3.867 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808043 1032897675 /nfs/dbraw/zinc/89/76/75/1032897675.db2.gz XIWMFQAFUWDOPH-RCCFBDPRSA-N 2 0 316.464 3.632 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@@H]2CCCSC2)C[C@H]1c1ccccc1 ZINC000340390004 1020408778 /nfs/dbraw/zinc/40/87/78/1020408778.db2.gz HQWDLZSPBYKBCN-SZMVWBNQSA-N 2 0 304.503 3.555 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655835229 1020408887 /nfs/dbraw/zinc/40/88/87/1020408887.db2.gz NDAOSVXHQHJMET-WSTZPKSXSA-N 2 0 323.484 3.513 20 0 DHADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623718159 1020432825 /nfs/dbraw/zinc/43/28/25/1020432825.db2.gz YBXCRONVJWPULM-OAHLLOKOSA-N 2 0 317.452 3.620 20 0 DHADRP C[C@@H](C[NH2+]CCCCCC[NH3+])c1cccc(Br)c1 ZINC000843128056 1020455136 /nfs/dbraw/zinc/45/51/36/1020455136.db2.gz SYPODIDUSLSSPX-ZDUSSCGKSA-N 2 0 313.283 3.661 20 0 DHADRP CCC[C@H](C)CCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000625482346 1020545288 /nfs/dbraw/zinc/54/52/88/1020545288.db2.gz NVLGMQBXRDQWFN-IBGZPJMESA-N 2 0 323.569 3.695 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281135781 1020763343 /nfs/dbraw/zinc/76/33/43/1020763343.db2.gz NUASIDKNLPNGJR-JQHSSLGASA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001171958508 1032926274 /nfs/dbraw/zinc/92/62/74/1032926274.db2.gz ALKAAKRVGUJFOB-UKRRQHHQSA-N 2 0 314.395 3.568 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414085331 1020862992 /nfs/dbraw/zinc/86/29/92/1020862992.db2.gz YFUGKYOWTFWXRT-MRXNPFEDSA-N 2 0 304.478 3.919 20 0 DHADRP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000613259818 1020873382 /nfs/dbraw/zinc/87/33/82/1020873382.db2.gz GRVRTNFEJLIVJH-PKOBYXMFSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C(C)(C)C(C)(C)[NH3+] ZINC001171966973 1032937104 /nfs/dbraw/zinc/93/71/04/1032937104.db2.gz XPKYAHHNEBITSP-LLVKDONJSA-N 2 0 302.384 3.742 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171966212 1032939019 /nfs/dbraw/zinc/93/90/19/1032939019.db2.gz UDUFGWVMCWWGJW-FQEVSTJZSA-N 2 0 323.484 3.657 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CC2 ZINC000173228267 1020905075 /nfs/dbraw/zinc/90/50/75/1020905075.db2.gz YLIWQFFLOKCGLA-QGZVFWFLSA-N 2 0 302.462 3.581 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)CCO2 ZINC000178105911 1020934670 /nfs/dbraw/zinc/93/46/70/1020934670.db2.gz LPMJZTMKCSDQOX-QGZVFWFLSA-N 2 0 316.489 3.784 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000414168723 1020956352 /nfs/dbraw/zinc/95/63/52/1020956352.db2.gz AKTCVMPPGKIPQT-FUHWJXTLSA-N 2 0 314.473 3.754 20 0 DHADRP CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000414170063 1020958491 /nfs/dbraw/zinc/95/84/91/1020958491.db2.gz BOJXYOWIXNDBLX-APWZRJJASA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414188238 1020975340 /nfs/dbraw/zinc/97/53/40/1020975340.db2.gz QHHCCYWUZODJHC-OAHLLOKOSA-N 2 0 309.413 3.972 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414191856 1020979402 /nfs/dbraw/zinc/97/94/02/1020979402.db2.gz RZSUILPMTIRPIZ-XNFNUYLZSA-N 2 0 316.489 3.509 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000414198069 1020989935 /nfs/dbraw/zinc/98/99/35/1020989935.db2.gz VZWFLTULUYCUBJ-BEFAXECRSA-N 2 0 311.473 3.867 20 0 DHADRP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000179756328 1020997216 /nfs/dbraw/zinc/99/72/16/1020997216.db2.gz VRAUFPVDPGWZHA-VQIMIIECSA-N 2 0 301.478 3.567 20 0 DHADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000537948287 1032949420 /nfs/dbraw/zinc/94/94/20/1032949420.db2.gz FSWKRABPJLWGGJ-PKOBYXMFSA-N 2 0 320.546 3.876 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000414274774 1021054484 /nfs/dbraw/zinc/05/44/84/1021054484.db2.gz QKLUBKJEUWQDMV-AWEZNQCLSA-N 2 0 312.379 3.588 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000414310255 1021082300 /nfs/dbraw/zinc/08/23/00/1021082300.db2.gz KTGBENXEIKSOFP-USWSCHJFSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973090 1032958134 /nfs/dbraw/zinc/95/81/34/1032958134.db2.gz VTLTZTXDIKHPMX-IBGZPJMESA-N 2 0 318.505 3.834 20 0 DHADRP CC1([NH3+])CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000647531397 1021123192 /nfs/dbraw/zinc/12/31/92/1021123192.db2.gz TUDHBMWGBXQACJ-UHFFFAOYSA-N 2 0 304.434 3.867 20 0 DHADRP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973093 1032957649 /nfs/dbraw/zinc/95/76/49/1032957649.db2.gz VTLTZTXDIKHPMX-LJQANCHMSA-N 2 0 318.505 3.834 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423214902 1021163677 /nfs/dbraw/zinc/16/36/77/1021163677.db2.gz LYCGLDMYYXIKST-HTXFPXQUSA-N 2 0 306.416 3.721 20 0 DHADRP CCCC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970571 1032958340 /nfs/dbraw/zinc/95/83/40/1032958340.db2.gz DFMPJOQPWCWGRE-OALUTQOASA-N 2 0 318.505 3.570 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCS2 ZINC000187187889 1021170065 /nfs/dbraw/zinc/17/00/65/1021170065.db2.gz WZISUMPQUATZME-RDJZCZTQSA-N 2 0 304.503 3.772 20 0 DHADRP CCC[C@@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975805 1032959633 /nfs/dbraw/zinc/95/96/33/1032959633.db2.gz OAULWTWALAHYPJ-OALUTQOASA-N 2 0 318.505 3.570 20 0 DHADRP CC(C)([NH3+])C(C)(C)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974735 1032959908 /nfs/dbraw/zinc/95/99/08/1032959908.db2.gz IXASXQUIJHAEPJ-QGZVFWFLSA-N 2 0 317.521 3.535 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)sc1Br ZINC000423380344 1021195119 /nfs/dbraw/zinc/19/51/19/1021195119.db2.gz YLBPZMLVDCAUDV-DCAQKATOSA-N 2 0 317.296 3.740 20 0 DHADRP Cc1ncc([C@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926785184 1021197161 /nfs/dbraw/zinc/19/71/61/1021197161.db2.gz JTBFEJBTCZKPJQ-OLZOCXBDSA-N 2 0 303.475 3.925 20 0 DHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000251316841 1021220002 /nfs/dbraw/zinc/22/00/02/1021220002.db2.gz LJHRXNLAPAGOKO-DOMZBBRYSA-N 2 0 300.393 3.654 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423454266 1021242938 /nfs/dbraw/zinc/24/29/38/1021242938.db2.gz CCRFQXSECHENRJ-MCKZFVMYSA-N 2 0 322.905 3.982 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423452873 1021244757 /nfs/dbraw/zinc/24/47/57/1021244757.db2.gz KGGDWVAQMRYHEC-IAQYHMDHSA-N 2 0 311.267 3.544 20 0 DHADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000090881620 1021254444 /nfs/dbraw/zinc/25/44/44/1021254444.db2.gz XMZBLCKJEFEOMB-PBHICJAKSA-N 2 0 324.896 3.601 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000624119498 1021346648 /nfs/dbraw/zinc/34/66/48/1021346648.db2.gz CZZUDAAWIOUZNS-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000337404360 1032972234 /nfs/dbraw/zinc/97/22/34/1032972234.db2.gz RLLWYJUNVZMDLP-LJQANCHMSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1csc(C(F)(F)F)c1 ZINC000924650778 1032974817 /nfs/dbraw/zinc/97/48/17/1032974817.db2.gz WXFZIKRLHJJBPT-VHSXEESVSA-N 2 0 303.353 3.703 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc2c(c1)CCO2 ZINC000125800191 1032976374 /nfs/dbraw/zinc/97/63/74/1032976374.db2.gz SBBHEAALAJAQIA-LPHOPBHVSA-N 2 0 316.489 3.783 20 0 DHADRP [NH3+][C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1F ZINC001206154420 1032979256 /nfs/dbraw/zinc/97/92/56/1032979256.db2.gz IXQSOFVYKDOSPI-RTBURBONSA-N 2 0 314.404 3.740 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC4CC(C4)C2)C3)cc1 ZINC001172083256 1032983063 /nfs/dbraw/zinc/98/30/63/1032983063.db2.gz PDTJXFZPHXYCOF-HNZUOSPBSA-N 2 0 310.485 3.914 20 0 DHADRP CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000556092822 1021518050 /nfs/dbraw/zinc/51/80/50/1021518050.db2.gz DXGJHPPOLTWPNI-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCCO2 ZINC000850424295 1021523347 /nfs/dbraw/zinc/52/33/47/1021523347.db2.gz IEVNJZPJPDZTPJ-INIZCTEOSA-N 2 0 324.468 3.924 20 0 DHADRP C[C@@H](CSCCF)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850430519 1021528299 /nfs/dbraw/zinc/52/82/99/1021528299.db2.gz MABGRKKVDDVZIV-HNNXBMFYSA-N 2 0 316.530 3.712 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850433799 1021530559 /nfs/dbraw/zinc/53/05/59/1021530559.db2.gz QMUALWJLSOTFLZ-SJORKVTESA-N 2 0 316.489 3.783 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)CCCO2 ZINC000850440383 1021535318 /nfs/dbraw/zinc/53/53/18/1021535318.db2.gz WZYPPHSYAWHHEG-BMGDILEWSA-N 2 0 302.462 3.535 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000850441516 1021535483 /nfs/dbraw/zinc/53/54/83/1021535483.db2.gz AUFFHINQNCTGPS-OAHLLOKOSA-N 2 0 316.489 3.925 20 0 DHADRP C[C@@]1(C[NH2+]C2CC(CF)(CF)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000850466594 1021553127 /nfs/dbraw/zinc/55/31/27/1021553127.db2.gz NLBVMWGXLQQPNA-SFHVURJKSA-N 2 0 322.443 3.576 20 0 DHADRP CCCCCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483859 1021558435 /nfs/dbraw/zinc/55/84/35/1021558435.db2.gz WUTQZWBTXNPTDC-QGZVFWFLSA-N 2 0 310.526 3.826 20 0 DHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000070171891 1021576434 /nfs/dbraw/zinc/57/64/34/1021576434.db2.gz VXTIZHDZRYJAHI-AAEUAGOBSA-N 2 0 318.408 3.858 20 0 DHADRP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067154 1032990039 /nfs/dbraw/zinc/99/00/39/1032990039.db2.gz OFOMAPXTYKOQQM-WTGUMLROSA-N 2 0 316.489 3.587 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cccc(F)c1)C2 ZINC001172126671 1032994418 /nfs/dbraw/zinc/99/44/18/1032994418.db2.gz XXFMHIGPOLSKCB-YDZRNGNQSA-N 2 0 302.437 3.978 20 0 DHADRP COc1cc(Cl)c(C[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000415013857 1021616959 /nfs/dbraw/zinc/61/69/59/1021616959.db2.gz LIDAHNPMNVBJIH-SNVBAGLBSA-N 2 0 305.249 3.609 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccnc1Cl ZINC000850583972 1021624593 /nfs/dbraw/zinc/62/45/93/1021624593.db2.gz PBAMGOGXVVFBNL-CYBMUJFWSA-N 2 0 307.869 3.508 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000093604580 1021633069 /nfs/dbraw/zinc/63/30/69/1021633069.db2.gz VNRYSSROTRPQGI-QGZVFWFLSA-N 2 0 324.468 3.766 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000036968418 1021633871 /nfs/dbraw/zinc/63/38/71/1021633871.db2.gz UUFILHRNCBLSFO-MLGOLLRUSA-N 2 0 308.466 3.683 20 0 DHADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556259931 1021638904 /nfs/dbraw/zinc/63/89/04/1021638904.db2.gz KARWITLATYGOBL-LCWAXJCOSA-N 2 0 316.464 3.767 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cnn(C2CCCC2)c1 ZINC000337447134 1033000141 /nfs/dbraw/zinc/00/01/41/1033000141.db2.gz GYHJAELYGGPLJS-HNNXBMFYSA-N 2 0 316.493 3.523 20 0 DHADRP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172103571 1033002233 /nfs/dbraw/zinc/00/22/33/1033002233.db2.gz VYEUESVZLNCKLV-NNZMDNLPSA-N 2 0 302.462 3.579 20 0 DHADRP CCOC[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093839140 1021688255 /nfs/dbraw/zinc/68/82/55/1021688255.db2.gz FSQOICJIBYPDAW-LJQANCHMSA-N 2 0 318.505 3.503 20 0 DHADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172105820 1033006888 /nfs/dbraw/zinc/00/68/88/1033006888.db2.gz KUAVDDRICIVGSQ-LDLYASANSA-N 2 0 316.489 3.621 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCSCc1ccc(F)cc1)C2 ZINC001172102695 1033003486 /nfs/dbraw/zinc/00/34/86/1033003486.db2.gz OEQCYNJJXUNGSK-NNZMDNLPSA-N 2 0 322.493 3.664 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000926889974 1021790475 /nfs/dbraw/zinc/79/04/75/1021790475.db2.gz SOCVOGWOAINTHT-ADEKHHIBSA-N 2 0 322.537 3.704 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCc3ccccc32)[C@H](C)C1 ZINC000538195937 1033007893 /nfs/dbraw/zinc/00/78/93/1033007893.db2.gz YMWJYJJMKODECO-UXPWSPDFSA-N 2 0 300.490 3.601 20 0 DHADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000261751431 1021823925 /nfs/dbraw/zinc/82/39/25/1021823925.db2.gz UTTRYXZZHAMLOK-NJDAHSKKSA-N 2 0 323.484 3.804 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001172110839 1033009009 /nfs/dbraw/zinc/00/90/09/1033009009.db2.gz PXMGCRHGMPHIQX-CUSZFKRNSA-N 2 0 319.880 3.791 20 0 DHADRP c1cc2cnccc2c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000183359354 1021838839 /nfs/dbraw/zinc/83/88/39/1021838839.db2.gz XVIYNVYPVLAPKO-QGZVFWFLSA-N 2 0 309.457 3.543 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1cccc3ccccc31)C2 ZINC001172107553 1033013164 /nfs/dbraw/zinc/01/31/64/1033013164.db2.gz ZPTVJWZJXLWSIL-LDLYASANSA-N 2 0 324.468 3.824 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000556869095 1021910768 /nfs/dbraw/zinc/91/07/68/1021910768.db2.gz CMYDASICPXGTKW-UHOSZYNNSA-N 2 0 300.490 3.735 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000556869743 1021912522 /nfs/dbraw/zinc/91/25/22/1021912522.db2.gz JZEDWKFKBNVFIW-FVELJTHGSA-N 2 0 300.490 3.860 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000556869749 1021912540 /nfs/dbraw/zinc/91/25/40/1021912540.db2.gz JZEDWKFKBNVFIW-YNIZLOQISA-N 2 0 300.490 3.860 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000556872356 1021915856 /nfs/dbraw/zinc/91/58/56/1021915856.db2.gz PSAPPFJEHMURAE-ZLPCBKJTSA-N 2 0 304.478 3.999 20 0 DHADRP CCSc1ccccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930459234 1021920602 /nfs/dbraw/zinc/92/06/02/1021920602.db2.gz GLPVJQRWTVWSPB-SJPCQFCGSA-N 2 0 304.503 3.856 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000262337108 1021923819 /nfs/dbraw/zinc/92/38/19/1021923819.db2.gz TXXKRBSPEYDFPG-UHFFFAOYSA-N 2 0 317.864 3.710 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000262362925 1021927621 /nfs/dbraw/zinc/92/76/21/1021927621.db2.gz WQDVEDDWQDSGKZ-UHFFFAOYSA-N 2 0 318.358 3.666 20 0 DHADRP FC(F)(F)c1ccccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000262572237 1021965200 /nfs/dbraw/zinc/96/52/00/1021965200.db2.gz XNKSCSGZWJOJAX-CYBMUJFWSA-N 2 0 312.379 3.669 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@H]2CC[C@H](OC)C2)CC1)CC(C)C ZINC000851892650 1022031451 /nfs/dbraw/zinc/03/14/51/1022031451.db2.gz PKJQJKJOHALIMF-OALUTQOASA-N 2 0 310.526 3.634 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CSc3ccccc3C2)C[C@](C)(C[NH3+])C1 ZINC001172188045 1033031944 /nfs/dbraw/zinc/03/19/44/1033031944.db2.gz PSWFEIJGYHKMPM-BXWFABGCSA-N 2 0 318.530 3.837 20 0 DHADRP CO[C@@H]1CCC[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928806 1033471953 /nfs/dbraw/zinc/47/19/53/1033471953.db2.gz LWGZUHQVZHIENO-DSLXNQLJSA-N 2 0 308.510 3.849 20 0 DHADRP Clc1cccc(SCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000852748455 1022171288 /nfs/dbraw/zinc/17/12/88/1022171288.db2.gz WEFQSJGUGLFHSQ-INIZCTEOSA-N 2 0 310.894 3.508 20 0 DHADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000620514577 1022172078 /nfs/dbraw/zinc/17/20/78/1022172078.db2.gz KQJHICBWUVAGEU-HZPDHXFCSA-N 2 0 304.478 3.541 20 0 DHADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc(Cl)n1 ZINC000797602909 1022248427 /nfs/dbraw/zinc/24/84/27/1022248427.db2.gz SGXMGZSDZFAPIK-UHFFFAOYSA-N 2 0 321.896 3.930 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1ccc(Cl)cc1)C2 ZINC001169090918 1022255947 /nfs/dbraw/zinc/25/59/47/1022255947.db2.gz NRWPBUPJXKNFHN-OSYLJGHBSA-N 2 0 306.881 3.876 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc1cccc(F)c1)C2 ZINC001169118607 1022259077 /nfs/dbraw/zinc/25/90/77/1022259077.db2.gz LRPMVRXCISEWRO-BCDXTJNWSA-N 2 0 304.453 3.609 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3cccc(F)c3)CCC1)C2 ZINC001169109565 1022266178 /nfs/dbraw/zinc/26/61/78/1022266178.db2.gz DJXQXHZAJNDQKA-BCDXTJNWSA-N 2 0 302.437 3.506 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c([C@H]3CCC[NH2+]3)cc3ccccc31)C2 ZINC001169140660 1022271681 /nfs/dbraw/zinc/27/16/81/1022271681.db2.gz LEPJTDOIQYDMSC-XMTFNYHQSA-N 2 0 309.457 3.864 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccccc3Cl)C1)C2 ZINC001169142236 1022273108 /nfs/dbraw/zinc/27/31/08/1022273108.db2.gz SVWGMDCTAZACAY-WCVJEAGWSA-N 2 0 304.865 3.755 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925539813 1022294128 /nfs/dbraw/zinc/29/41/28/1022294128.db2.gz DHWYXZAZBNPHFP-MCIONIFRSA-N 2 0 304.400 3.619 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@H](C)C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000651374213 1022299406 /nfs/dbraw/zinc/29/94/06/1022299406.db2.gz WAKOUBLDGZNSFC-QGZVFWFLSA-N 2 0 300.490 3.655 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000268761589 1022377385 /nfs/dbraw/zinc/37/73/85/1022377385.db2.gz HOUXNGOGSYAVQJ-RYQLBKOJSA-N 2 0 302.462 3.753 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714851 1022378026 /nfs/dbraw/zinc/37/80/26/1022378026.db2.gz LIKFEEUNFDAIJX-LMMKCTJWSA-N 2 0 312.457 3.711 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925551140 1022382369 /nfs/dbraw/zinc/38/23/69/1022382369.db2.gz AESBOXPCEITHSV-QUCCMNQESA-N 3 0 317.521 3.568 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654931 1022384086 /nfs/dbraw/zinc/38/40/86/1022384086.db2.gz KBGVSQAKSZSJHO-NVXWUHKLSA-N 2 0 306.881 3.648 20 0 DHADRP C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011949 1022432457 /nfs/dbraw/zinc/43/24/57/1022432457.db2.gz HUSOTEJXPKRLMJ-WDEREUQCSA-N 2 0 319.251 3.939 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000615462786 1022491164 /nfs/dbraw/zinc/49/11/64/1022491164.db2.gz UFLYYOXEBZOTTP-UHFFFAOYSA-N 2 0 310.482 3.582 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052319 1022517167 /nfs/dbraw/zinc/51/71/67/1022517167.db2.gz ULNWCKGPBVOBHH-HOTGVXAUSA-N 2 0 304.478 3.856 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000671106530 1022520067 /nfs/dbraw/zinc/52/00/67/1022520067.db2.gz WNNAWJLTTCGLEL-KRWDZBQOSA-N 2 0 318.505 3.966 20 0 DHADRP CN(CC[NH2+]C1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000157437650 1022549633 /nfs/dbraw/zinc/54/96/33/1022549633.db2.gz MCFWVWAYNTWAIJ-UHFFFAOYSA-N 2 0 315.505 3.510 20 0 DHADRP C[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866761 1022576189 /nfs/dbraw/zinc/57/61/89/1022576189.db2.gz DYEWEKAXZHPYLR-ZBFHGGJFSA-N 2 0 314.395 3.829 20 0 DHADRP c1ccc2c(c1)cccc2OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168358904 1033067615 /nfs/dbraw/zinc/06/76/15/1033067615.db2.gz XAYJNEBQBQPEPX-UHFFFAOYSA-N 2 0 324.468 3.683 20 0 DHADRP CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC)C1CCOCC1 ZINC000584695442 1022632405 /nfs/dbraw/zinc/63/24/05/1022632405.db2.gz CZSJXNNLSUJHMG-QYZOEREBSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000276683430 1022638710 /nfs/dbraw/zinc/63/87/10/1022638710.db2.gz QXIBAZLNUDYPTO-APHBMKBZSA-N 2 0 312.379 3.983 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C)cc1 ZINC001172249506 1033071845 /nfs/dbraw/zinc/07/18/45/1033071845.db2.gz MDJSCVWPQNNVFP-HXUWFJFHSA-N 2 0 318.505 3.927 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(F)c(C)c1 ZINC001172250237 1033070491 /nfs/dbraw/zinc/07/04/91/1033070491.db2.gz VLADQZGNRTUTRS-IBGZPJMESA-N 2 0 322.468 3.676 20 0 DHADRP Cc1c(Cl)c(C[NH+]2CCC(CC[NH3+])CC2)nc2ccccc12 ZINC000315827093 1022665361 /nfs/dbraw/zinc/66/53/61/1022665361.db2.gz UFJQJYVQTLTKPF-UHFFFAOYSA-N 2 0 317.864 3.757 20 0 DHADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000767349394 1022694027 /nfs/dbraw/zinc/69/40/27/1022694027.db2.gz RVOWEDMOVUPCEE-UHFFFAOYSA-N 2 0 312.457 3.898 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cccs2)C1 ZINC000113933637 1022754409 /nfs/dbraw/zinc/75/44/09/1022754409.db2.gz IXJYZSDKNFOCEI-IAGOWNOFSA-N 2 0 306.519 3.877 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cccs2)C1 ZINC000113933638 1022755010 /nfs/dbraw/zinc/75/50/10/1022755010.db2.gz IXJYZSDKNFOCEI-DLBZAZTESA-N 2 0 306.519 3.877 20 0 DHADRP Cc1ccccc1SC[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000859140204 1033079524 /nfs/dbraw/zinc/07/95/24/1033079524.db2.gz LGKBHUXYUFXTNW-NVXWUHKLSA-N 2 0 306.519 3.607 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H]3CC3(F)F)CC2)C1 ZINC000621734929 1022846895 /nfs/dbraw/zinc/84/68/95/1022846895.db2.gz ZVSXXIFNTFTJBT-IIAWOOMASA-N 2 0 300.437 3.664 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC(C)C2)CC1 ZINC000621738350 1022847213 /nfs/dbraw/zinc/84/72/13/1022847213.db2.gz CZYYBCISIOWFBF-HFCFLWKCSA-N 2 0 300.490 3.718 20 0 DHADRP CCC(C)(CC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236863618 1022874205 /nfs/dbraw/zinc/87/42/05/1022874205.db2.gz NLHKWAFWGPDUGI-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000768103225 1022890686 /nfs/dbraw/zinc/89/06/86/1022890686.db2.gz YXHGBNCOPSPJAC-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)CC[N@@H+]1C ZINC000159301733 1022897478 /nfs/dbraw/zinc/89/74/78/1022897478.db2.gz CZVVAQXJHOTVTF-MAUKXSAKSA-N 2 0 304.453 3.710 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925631362 1022899221 /nfs/dbraw/zinc/89/92/21/1022899221.db2.gz XPIQCKBGOZGNAR-ZRNYENFQSA-N 2 0 322.537 3.728 20 0 DHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925631360 1022902315 /nfs/dbraw/zinc/90/23/15/1022902315.db2.gz XPIQCKBGOZGNAR-WCIQWLHISA-N 2 0 322.537 3.728 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414908384 1022904381 /nfs/dbraw/zinc/90/43/81/1022904381.db2.gz BGVFNFUYSKTPDX-QWRGUYRKSA-N 2 0 306.759 3.718 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000319232916 1022938240 /nfs/dbraw/zinc/93/82/40/1022938240.db2.gz OXFKPPSPJZFZKI-PBHICJAKSA-N 2 0 303.425 3.658 20 0 DHADRP Cc1ccccc1C[N@H+]([C@@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172283055 1033093792 /nfs/dbraw/zinc/09/37/92/1033093792.db2.gz VWZZGEUAWLQARC-FHWLQOOXSA-N 2 0 316.489 3.634 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000164831044 1022960634 /nfs/dbraw/zinc/96/06/34/1022960634.db2.gz VRKNWARYJKCFGU-GXTWGEPZSA-N 2 0 312.860 3.829 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294986760 1022991243 /nfs/dbraw/zinc/99/12/43/1022991243.db2.gz KHVTZSRQFNCENH-BPIHKTFHSA-N 2 0 300.490 3.958 20 0 DHADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000295297329 1022993042 /nfs/dbraw/zinc/99/30/42/1022993042.db2.gz JTLJJYARXKOCDF-KRWDZBQOSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1cc(N2CCCCC2)cc[nH+]1 ZINC001167750643 1023023110 /nfs/dbraw/zinc/02/31/10/1023023110.db2.gz AYEGROSMLVQKFO-KRWDZBQOSA-N 2 0 316.493 3.748 20 0 DHADRP Clc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298568126 1023032655 /nfs/dbraw/zinc/03/26/55/1023032655.db2.gz WTUGVLHLALYILN-UHFFFAOYSA-N 2 0 315.848 3.536 20 0 DHADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000651489819 1023035569 /nfs/dbraw/zinc/03/55/69/1023035569.db2.gz LNRLOWLWWHCVQM-QKLQHJQFSA-N 2 0 318.505 3.584 20 0 DHADRP Clc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250751394 1023101267 /nfs/dbraw/zinc/10/12/67/1023101267.db2.gz KUKZVBWGQMIMNN-GJZGRUSLSA-N 2 0 313.272 3.752 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000194048877 1023149909 /nfs/dbraw/zinc/14/99/09/1023149909.db2.gz PVVNTUYKSUBNLL-MJGOQNOKSA-N 2 0 306.494 3.656 20 0 DHADRP C[N@H+](CCSc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660543005 1023315625 /nfs/dbraw/zinc/31/56/25/1023315625.db2.gz ZDAPIFSLWIOJBV-XYPWUTKMSA-N 2 0 324.921 3.989 20 0 DHADRP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172341441 1033126505 /nfs/dbraw/zinc/12/65/05/1033126505.db2.gz ZXJZUKAOWBTMLM-JKSUJKDBSA-N 2 0 322.468 3.669 20 0 DHADRP CC[C@H](CC(F)F)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679459 1023375073 /nfs/dbraw/zinc/37/50/73/1023375073.db2.gz KUHZTOLMAQVIQJ-OAHLLOKOSA-N 2 0 310.432 3.922 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925719204 1023416156 /nfs/dbraw/zinc/41/61/56/1023416156.db2.gz MBNJJBLKFYMXPC-CABCVRRESA-N 2 0 302.453 3.816 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc3c2CCC3)ccc1F ZINC000651715318 1023487730 /nfs/dbraw/zinc/48/77/30/1023487730.db2.gz INVLQDFBKYOWOL-UHFFFAOYSA-N 2 0 312.432 3.666 20 0 DHADRP C[C@H]1CCCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000651748494 1023517505 /nfs/dbraw/zinc/51/75/05/1023517505.db2.gz NXHRKRYEAJDYPJ-QFBILLFUSA-N 2 0 301.478 3.856 20 0 DHADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000651748630 1023518238 /nfs/dbraw/zinc/51/82/38/1023518238.db2.gz RWMDXKWHSKSOAD-OALUTQOASA-N 2 0 301.478 3.856 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000662729968 1023518631 /nfs/dbraw/zinc/51/86/31/1023518631.db2.gz YBGHYGGOOJTUIA-RBUKOAKNSA-N 2 0 304.453 3.734 20 0 DHADRP CC[N@H+](CCC[NH2+][C@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000651909951 1023631227 /nfs/dbraw/zinc/63/12/27/1023631227.db2.gz BHRVQWWEARMNCP-KRWDZBQOSA-N 2 0 308.510 3.722 20 0 DHADRP C1CC1[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000651928394 1023649118 /nfs/dbraw/zinc/64/91/18/1023649118.db2.gz FZRKRVMMELUOLR-FQEVSTJZSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C[C@@H]1C ZINC001172371016 1033151927 /nfs/dbraw/zinc/15/19/27/1033151927.db2.gz SLKDBGCBCRQVML-SOLBZPMBSA-N 2 0 318.480 3.986 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172402712 1033152138 /nfs/dbraw/zinc/15/21/38/1033152138.db2.gz WJSZKAYFFRDOSL-KRWDZBQOSA-N 2 0 306.469 3.986 20 0 DHADRP COc1cccc([C@@]2(C)CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000661711842 1023701104 /nfs/dbraw/zinc/70/11/04/1023701104.db2.gz KGPRFVLZBQSALC-FQEVSTJZSA-N 2 0 316.489 3.535 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccccc2F)CCC1)C1CC[NH+](C)CC1 ZINC000652221136 1023707946 /nfs/dbraw/zinc/70/79/46/1023707946.db2.gz RSEHMRQUILGWOG-HNNXBMFYSA-N 2 0 304.453 3.567 20 0 DHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCOC2CCC2)CC1 ZINC000367739929 1023737484 /nfs/dbraw/zinc/73/74/84/1023737484.db2.gz YGZBSWTYEBYAMP-LJQANCHMSA-N 2 0 316.489 3.542 20 0 DHADRP CC(C)CCC[C@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001170065483 1023739372 /nfs/dbraw/zinc/73/93/72/1023739372.db2.gz ZGWJZELXPGQXSW-SFHVURJKSA-N 2 0 324.553 3.929 20 0 DHADRP CCOCC[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172414860 1033158455 /nfs/dbraw/zinc/15/84/55/1033158455.db2.gz TYSMSOFICOCTGP-WDSOQIARSA-N 2 0 304.478 3.574 20 0 DHADRP CCOCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001172423264 1033165082 /nfs/dbraw/zinc/16/50/82/1033165082.db2.gz KLRSJCLPCCRAKS-GGPKGHCWSA-N 2 0 318.505 3.549 20 0 DHADRP CCOCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422776 1033165628 /nfs/dbraw/zinc/16/56/28/1033165628.db2.gz WOGSYARLLBCTBL-ATZDWAIDSA-N 2 0 322.468 3.713 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172432051 1033167193 /nfs/dbraw/zinc/16/71/93/1033167193.db2.gz VTMGGJHCZDSFPO-KRWDZBQOSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1SCC[N@H+](CC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000788481035 1023891186 /nfs/dbraw/zinc/89/11/86/1023891186.db2.gz OWBTUKWRTAILBI-YJBOKZPZSA-N 2 0 304.503 3.507 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788498306 1023894688 /nfs/dbraw/zinc/89/46/88/1023894688.db2.gz NCZGHDIMWKMAAP-UKRRQHHQSA-N 2 0 309.885 3.822 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529083 1023906726 /nfs/dbraw/zinc/90/67/26/1023906726.db2.gz QQILSDQXQZMIIQ-GOEBONIOSA-N 2 0 321.896 3.824 20 0 DHADRP CCCCCC[C@H](CCC)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172387675 1033173370 /nfs/dbraw/zinc/17/33/70/1033173370.db2.gz UFUZBXGZYIFPTI-IBGZPJMESA-N 2 0 311.558 3.695 20 0 DHADRP CCCCCC[C@@H](CCC)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172388424 1033173621 /nfs/dbraw/zinc/17/36/21/1033173621.db2.gz YIHJZHAJOPCCOK-LJQANCHMSA-N 2 0 323.569 3.837 20 0 DHADRP CCCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000388619577 1023961189 /nfs/dbraw/zinc/96/11/89/1023961189.db2.gz NKPHNKQVEUEAEH-AEFFLSMTSA-N 2 0 304.478 3.828 20 0 DHADRP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001172398191 1033180249 /nfs/dbraw/zinc/18/02/49/1033180249.db2.gz TWRPKEMYGJNWNY-BBWFWOEESA-N 2 0 306.519 3.936 20 0 DHADRP COCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C)c1ccccc1 ZINC000662253106 1024031572 /nfs/dbraw/zinc/03/15/72/1024031572.db2.gz VNGDZIHRVQAVTF-KRWDZBQOSA-N 2 0 324.468 3.542 20 0 DHADRP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000538797171 1033184588 /nfs/dbraw/zinc/18/45/88/1033184588.db2.gz RMJYMSIBWJBNBG-YHELAOLJSA-N 2 0 310.485 3.739 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000662287121 1024067616 /nfs/dbraw/zinc/06/76/16/1024067616.db2.gz WGVCCCOMHKQFRN-SLFFLAALSA-N 2 0 316.489 3.528 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000662287124 1024069365 /nfs/dbraw/zinc/06/93/65/1024069365.db2.gz WGVCCCOMHKQFRN-ZCNNSNEGSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876936037 1033186200 /nfs/dbraw/zinc/18/62/00/1033186200.db2.gz WSHYMQNHYMQDSO-STQMWFEESA-N 2 0 315.914 3.644 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000268534431 1024125027 /nfs/dbraw/zinc/12/50/27/1024125027.db2.gz GHVCGIPWQYEMAI-LJQANCHMSA-N 2 0 316.489 3.542 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268743283 1024150363 /nfs/dbraw/zinc/15/03/63/1024150363.db2.gz DPKJNFNSCGQDEI-MRXNPFEDSA-N 2 0 309.413 3.635 20 0 DHADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000268760857 1024152703 /nfs/dbraw/zinc/15/27/03/1024152703.db2.gz LLXNOMBTSZJYBB-FQEVSTJZSA-N 2 0 321.399 3.848 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001170119797 1024166353 /nfs/dbraw/zinc/16/63/53/1024166353.db2.gz CRUUXLFDKXGRFM-PBHICJAKSA-N 2 0 306.881 3.864 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(OC(F)F)cc1 ZINC000268845944 1024176523 /nfs/dbraw/zinc/17/65/23/1024176523.db2.gz VGLLDPJJCCXHGB-SWLSCSKDSA-N 2 0 309.360 3.614 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3ccc(O)cc3)CC2)C1 ZINC000268841718 1024177182 /nfs/dbraw/zinc/17/71/82/1024177182.db2.gz ZRGNBIHAYUGVAQ-VQIMIIECSA-N 2 0 316.489 3.567 20 0 DHADRP CC[C@@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663346584 1024178725 /nfs/dbraw/zinc/17/87/25/1024178725.db2.gz WBIZZWXORDSCND-MOPGFXCFSA-N 2 0 300.490 3.892 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347871 1024181289 /nfs/dbraw/zinc/18/12/89/1024181289.db2.gz YQFUDHYKBGVLLV-IBGZPJMESA-N 2 0 316.489 3.685 20 0 DHADRP CC(C)COCC[C@H](C)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172478525 1033192371 /nfs/dbraw/zinc/19/23/71/1033192371.db2.gz AZCRWLDFGMFQEC-FHWLQOOXSA-N 2 0 310.526 3.776 20 0 DHADRP Cc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc[nH+]1 ZINC000790094993 1024222459 /nfs/dbraw/zinc/22/24/59/1024222459.db2.gz VEWLAWRLUNNPTG-UHFFFAOYSA-N 2 0 309.457 3.836 20 0 DHADRP CCOC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000662543669 1024243821 /nfs/dbraw/zinc/24/38/21/1024243821.db2.gz FAXCJCONOXDAMS-UHFFFAOYSA-N 2 0 316.489 3.673 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000531710357 1024278172 /nfs/dbraw/zinc/27/81/72/1024278172.db2.gz WVLNLXDQFWCXCH-KEYYUXOJSA-N 2 0 308.897 3.936 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000069392880 1024280311 /nfs/dbraw/zinc/28/03/11/1024280311.db2.gz HWHJUWNJYJIPPZ-UONOGXRCSA-N 2 0 306.416 3.960 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccncn1 ZINC000453055170 1024307875 /nfs/dbraw/zinc/30/78/75/1024307875.db2.gz DHWIXVUIQKAXHB-IRXDYDNUSA-N 2 0 324.472 3.559 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000453061234 1024308502 /nfs/dbraw/zinc/30/85/02/1024308502.db2.gz NLRWXGGBBGBAPD-ZWKOTPCHSA-N 2 0 303.494 3.504 20 0 DHADRP c1coc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453059519 1024308858 /nfs/dbraw/zinc/30/88/58/1024308858.db2.gz QLGDIEDVHYJMTM-UFYCRDLUSA-N 2 0 310.441 3.812 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000453108176 1024335505 /nfs/dbraw/zinc/33/55/05/1024335505.db2.gz NNXMDWYAQPIYOK-WIYYLYMNSA-N 2 0 312.501 3.719 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000269996790 1024338424 /nfs/dbraw/zinc/33/84/24/1024338424.db2.gz WOHSYECYKMRWAV-MSOLQXFVSA-N 2 0 311.473 3.810 20 0 DHADRP CCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000453139511 1024366717 /nfs/dbraw/zinc/36/67/17/1024366717.db2.gz BERDKEREDXWYCM-LJQANCHMSA-N 2 0 301.478 3.856 20 0 DHADRP C[C@H](CC[NH2+][C@@H](C)CCCc1cccnc1)[NH+]1CCCCC1 ZINC000453192169 1024393025 /nfs/dbraw/zinc/39/30/25/1024393025.db2.gz JAMCSUJVBZDWLB-ZWKOTPCHSA-N 2 0 303.494 3.647 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCCOC1 ZINC000883352219 1024398194 /nfs/dbraw/zinc/39/81/94/1024398194.db2.gz WZIXJWBHKXOFDC-XEYPJELSSA-N 2 0 322.537 3.824 20 0 DHADRP FC1(F)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453210860 1024404063 /nfs/dbraw/zinc/40/40/63/1024404063.db2.gz MOYUUWDOFYNLDM-KSZLIROESA-N 2 0 320.427 3.817 20 0 DHADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466895 1024409055 /nfs/dbraw/zinc/40/90/55/1024409055.db2.gz BAHMSCRNCGMHBV-MJGOQNOKSA-N 2 0 314.473 3.612 20 0 DHADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453235195 1024417682 /nfs/dbraw/zinc/41/76/82/1024417682.db2.gz TYMBVWNZRCVADP-IECFSIQFSA-N 2 0 320.427 3.673 20 0 DHADRP COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663471151 1024418554 /nfs/dbraw/zinc/41/85/54/1024418554.db2.gz XAGVMCNBVAIRII-HOCLYGCPSA-N 2 0 320.452 3.607 20 0 DHADRP C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663471138 1024418999 /nfs/dbraw/zinc/41/89/99/1024418999.db2.gz WZGKBZXXDPRWLB-DZGCQCFKSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663471141 1024419276 /nfs/dbraw/zinc/41/92/76/1024419276.db2.gz WZGKBZXXDPRWLB-ZFWWWQNUSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453247869 1024425360 /nfs/dbraw/zinc/42/53/60/1024425360.db2.gz WQOFMZUKPAVLFO-GDAAHCPNSA-N 2 0 304.453 3.767 20 0 DHADRP CC(C)Cc1ccc([C@H](C)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925777476 1024428124 /nfs/dbraw/zinc/42/81/24/1024428124.db2.gz DYTGQCAIEWWWAC-WMLDXEAASA-N 2 0 310.432 3.781 20 0 DHADRP COc1ccccc1/C=C/CN(C)C1CC[NH+](C(C)C)CC1 ZINC000271038504 1024447659 /nfs/dbraw/zinc/44/76/59/1024447659.db2.gz LBWZXGIZWJVKCQ-VQHVLOKHSA-N 2 0 302.462 3.513 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCc1ccccc1OC ZINC001167824023 1024474469 /nfs/dbraw/zinc/47/44/69/1024474469.db2.gz AZWNFJKCVQPHGP-QGZVFWFLSA-N 2 0 306.494 3.680 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000453348855 1024475853 /nfs/dbraw/zinc/47/58/53/1024475853.db2.gz GFOHPVASVFUDGV-UHFFFAOYSA-N 2 0 306.881 3.878 20 0 DHADRP CCC[NH+]1CCC(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000453350124 1024476365 /nfs/dbraw/zinc/47/63/65/1024476365.db2.gz GTYPNPPTROHFJN-UHFFFAOYSA-N 2 0 323.569 3.693 20 0 DHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCC(F)(F)F ZINC000271317851 1024485828 /nfs/dbraw/zinc/48/58/28/1024485828.db2.gz JFCGWBMTTPRRRX-UHFFFAOYSA-N 2 0 315.383 3.572 20 0 DHADRP C[C@H]([NH2+]CCC1CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453404649 1024501998 /nfs/dbraw/zinc/50/19/98/1024501998.db2.gz DPWDYLLFJFLOQB-MAUKXSAKSA-N 2 0 322.443 3.922 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453402221 1024502170 /nfs/dbraw/zinc/50/21/70/1024502170.db2.gz NMMZCIIJIZVVFZ-LJQANCHMSA-N 2 0 316.489 3.882 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001167826997 1024503917 /nfs/dbraw/zinc/50/39/17/1024503917.db2.gz STUHWKXXHOQLBU-IOJLRTSASA-N 2 0 323.569 3.693 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000925784419 1024510809 /nfs/dbraw/zinc/51/08/09/1024510809.db2.gz REZOQXKKESBWIN-SJORKVTESA-N 2 0 308.416 3.752 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1nc2c(s1)CCCC2 ZINC000453390727 1024510844 /nfs/dbraw/zinc/51/08/44/1024510844.db2.gz DIAKLHQFQFTRDV-CYBMUJFWSA-N 2 0 307.507 3.547 20 0 DHADRP Brc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522343 1024518061 /nfs/dbraw/zinc/51/80/61/1024518061.db2.gz LWUCEOUBXOGUHO-HOCLYGCPSA-N 2 0 323.278 3.558 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(CC)C(C)C)[C@H](C)C1 ZINC000453454326 1024521856 /nfs/dbraw/zinc/52/18/56/1024521856.db2.gz TWSSVWYSNOJDCX-HCXYKTFWSA-N 2 0 310.526 3.538 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172467275 1033217080 /nfs/dbraw/zinc/21/70/80/1033217080.db2.gz LOXBWOBCAJZEEX-MOPGFXCFSA-N 2 0 322.537 3.848 20 0 DHADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000643528330 1024529224 /nfs/dbraw/zinc/52/92/24/1024529224.db2.gz HBUZMUAILQBEMN-TUKIKUTGSA-N 2 0 300.368 3.668 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cccc(Cl)c1Cl)C1CC1 ZINC000453594945 1024537650 /nfs/dbraw/zinc/53/76/50/1024537650.db2.gz ITMMOFSRFAAFNP-UHFFFAOYSA-N 2 0 301.261 3.957 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534694 1024540949 /nfs/dbraw/zinc/54/09/49/1024540949.db2.gz AGMFVINXOXGFRG-KGLIPLIRSA-N 2 0 308.878 3.609 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000316161721 1024577252 /nfs/dbraw/zinc/57/72/52/1024577252.db2.gz IHIKBDNTHDPYFQ-ZDUSSCGKSA-N 2 0 319.836 3.556 20 0 DHADRP C[C@H]1CC[C@@H]([NH+]2CCC(N(C)Cc3cccc(F)c3)CC2)C1 ZINC001170160414 1024577667 /nfs/dbraw/zinc/57/76/67/1024577667.db2.gz YYTLOLIQRNINSV-HNAYVOBHSA-N 2 0 304.453 3.911 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000643457052 1024584259 /nfs/dbraw/zinc/58/42/59/1024584259.db2.gz KCZRBCJSXJYXQM-ZCNNSNEGSA-N 2 0 300.490 3.746 20 0 DHADRP CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001202611837 1024602304 /nfs/dbraw/zinc/60/23/04/1024602304.db2.gz NLMIRWGUJSTIOG-AEFFLSMTSA-N 2 0 318.505 3.653 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001167834839 1024602589 /nfs/dbraw/zinc/60/25/89/1024602589.db2.gz NEBMKJLSPMLWGO-APWZRJJASA-N 2 0 322.468 3.789 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663607233 1024617139 /nfs/dbraw/zinc/61/71/39/1024617139.db2.gz GHYJDWYDOBOMBM-HOTGVXAUSA-N 2 0 312.461 3.654 20 0 DHADRP CSC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925802628 1024621598 /nfs/dbraw/zinc/62/15/98/1024621598.db2.gz PELXQRHYWAKMBU-YXYCDRMUSA-N 2 0 310.551 3.809 20 0 DHADRP COCCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000282037799 1024630370 /nfs/dbraw/zinc/63/03/70/1024630370.db2.gz ULKCJOHHJKLRQP-QFBILLFUSA-N 2 0 322.468 3.615 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000648436967 1024638630 /nfs/dbraw/zinc/63/86/30/1024638630.db2.gz DISKMXFSVKPDSM-RBUKOAKNSA-N 2 0 304.478 3.574 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001167840951 1024653483 /nfs/dbraw/zinc/65/34/83/1024653483.db2.gz INTZYXIEUZEKPU-PKOBYXMFSA-N 2 0 318.505 3.995 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(OC)CCCC1 ZINC000348962740 1024655722 /nfs/dbraw/zinc/65/57/22/1024655722.db2.gz HPVCFJAEDPVGJA-UHFFFAOYSA-N 2 0 304.478 3.529 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160956 1024681536 /nfs/dbraw/zinc/68/15/36/1024681536.db2.gz UWVPOEVXYPSMEP-JTQLQIEISA-N 2 0 316.276 3.568 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666172110 1024749961 /nfs/dbraw/zinc/74/99/61/1024749961.db2.gz BQOUNJXOTQAPCG-GOEBONIOSA-N 2 0 306.881 3.519 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168168451 1024754089 /nfs/dbraw/zinc/75/40/89/1024754089.db2.gz SWPBJZFJDKSNOA-AWEZNQCLSA-N 2 0 306.881 3.735 20 0 DHADRP C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000663676071 1024768280 /nfs/dbraw/zinc/76/82/80/1024768280.db2.gz ZCABPXNDDUBCFE-INIZCTEOSA-N 2 0 320.440 3.664 20 0 DHADRP Cc1[nH+]ccc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1Cl ZINC000350344212 1024804594 /nfs/dbraw/zinc/80/45/94/1024804594.db2.gz YLLWGASFAGPIOP-NFAWXSAZSA-N 2 0 307.869 3.885 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(F)F)cc1 ZINC000666228221 1024811435 /nfs/dbraw/zinc/81/14/35/1024811435.db2.gz OSBOQFIMXLHAMR-MQIPJXDCSA-N 2 0 305.372 3.875 20 0 DHADRP Cc1nc(CN2CCC(C[NH2+][C@H](C)C3CCCC3)CC2)oc1C ZINC000162779110 1024883065 /nfs/dbraw/zinc/88/30/65/1024883065.db2.gz RLLBXUXXFLLZAN-OAHLLOKOSA-N 2 0 319.493 3.672 20 0 DHADRP CC(C)O[C@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000877114123 1033243240 /nfs/dbraw/zinc/24/32/40/1033243240.db2.gz LFICFYRCVDLLME-LYBXBRPPSA-N 2 0 318.505 3.863 20 0 DHADRP C[NH+]1CCC2(CC[N@H+](Cc3c(Cl)cccc3Cl)C2)CC1 ZINC001203422872 1024948706 /nfs/dbraw/zinc/94/87/06/1024948706.db2.gz HOMRUPWWEBYTCV-UHFFFAOYSA-N 2 0 313.272 3.911 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+]CC3(C)CCC3)CC2)cc1 ZINC000434780099 1024963607 /nfs/dbraw/zinc/96/36/07/1024963607.db2.gz XFJPRRWKCVATCZ-UHFFFAOYSA-N 2 0 316.489 3.687 20 0 DHADRP Clc1ccc2sc(C[NH2+]CCC[NH+]3CCCC3)cc2n1 ZINC000877143951 1033255539 /nfs/dbraw/zinc/25/55/39/1033255539.db2.gz ZKGJNPASFJBKBZ-UHFFFAOYSA-N 2 0 309.866 3.525 20 0 DHADRP F[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000348318793 1025023697 /nfs/dbraw/zinc/02/36/97/1025023697.db2.gz FZEKFRLHUYYUGF-WJXKREEZSA-N 2 0 302.437 3.662 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000348318792 1025024911 /nfs/dbraw/zinc/02/49/11/1025024911.db2.gz FZEKFRLHUYYUGF-VEHMJYNQSA-N 2 0 302.437 3.662 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000539055403 1033256158 /nfs/dbraw/zinc/25/61/58/1033256158.db2.gz TUYBRSVCYDVRQV-VNQPRFMTSA-N 2 0 310.869 3.570 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000120959321 1025064059 /nfs/dbraw/zinc/06/40/59/1025064059.db2.gz QAOPQRIJALESNF-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353451692 1025075448 /nfs/dbraw/zinc/07/54/48/1025075448.db2.gz WWMKGGFYWYHACA-CQSZACIVSA-N 2 0 304.356 3.578 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000121244335 1025081996 /nfs/dbraw/zinc/08/19/96/1025081996.db2.gz XEFHKRHROKOGHM-ZDUSSCGKSA-N 2 0 306.479 3.902 20 0 DHADRP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353505041 1025097544 /nfs/dbraw/zinc/09/75/44/1025097544.db2.gz ULAYBZYNHAXTRG-OIISXLGYSA-N 2 0 316.420 3.843 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353512004 1025097631 /nfs/dbraw/zinc/09/76/31/1025097631.db2.gz CGKGIOMFVWAGEH-ARFHVFGLSA-N 2 0 308.466 3.510 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000021814633 1025102841 /nfs/dbraw/zinc/10/28/41/1025102841.db2.gz CWPRQLIMLQGRMX-ZDUSSCGKSA-N 2 0 300.368 3.842 20 0 DHADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000400938501 1025176555 /nfs/dbraw/zinc/17/65/55/1025176555.db2.gz LBQAJBYVLXJCMY-UMVBOHGHSA-N 2 0 313.272 3.514 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000279735089 1025203938 /nfs/dbraw/zinc/20/39/38/1025203938.db2.gz ODICOMVWNHJVCK-YOEHRIQHSA-N 2 0 304.478 3.661 20 0 DHADRP C[C@H]([NH2+]CC1(C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539067659 1033266277 /nfs/dbraw/zinc/26/62/77/1033266277.db2.gz GVKBGGXCXOOQQK-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400982050 1025215514 /nfs/dbraw/zinc/21/55/14/1025215514.db2.gz SHTHSOJWBDLJJQ-XOYOTBSWSA-N 2 0 302.462 3.513 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(SC)c(OC)c2)C[C@@H]1C ZINC000353751268 1025232600 /nfs/dbraw/zinc/23/26/00/1025232600.db2.gz XKZVWPSFXVHCHB-HOCLYGCPSA-N 2 0 322.518 3.722 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000040620758 1025239127 /nfs/dbraw/zinc/23/91/27/1025239127.db2.gz ABJQOPBWTSLZBC-ZDUSSCGKSA-N 2 0 300.368 3.525 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)ccc1SC ZINC000925844516 1025253012 /nfs/dbraw/zinc/25/30/12/1025253012.db2.gz TWAJDEZVBCRANM-MORSLUCNSA-N 2 0 320.502 3.600 20 0 DHADRP C[NH+]1C(C)(C)CC(Nc2ccc([C@H]3CCC[NH2+]3)cn2)CC1(C)C ZINC001170454555 1025320751 /nfs/dbraw/zinc/32/07/51/1025320751.db2.gz XGZMYCOIOUYXMG-MRXNPFEDSA-N 2 0 316.493 3.569 20 0 DHADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCS2 ZINC000925857731 1025334348 /nfs/dbraw/zinc/33/43/48/1025334348.db2.gz IALJBDGOCPPWMB-YYIAUSFCSA-N 2 0 308.535 3.705 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(Cl)n1 ZINC000859995312 1033278127 /nfs/dbraw/zinc/27/81/27/1033278127.db2.gz ONMOEQCZFPGEMO-UHFFFAOYSA-N 2 0 317.864 3.819 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1F ZINC000123621395 1025392265 /nfs/dbraw/zinc/39/22/65/1025392265.db2.gz TZYPFGCSKSCCSB-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000885915598 1025403901 /nfs/dbraw/zinc/40/39/01/1025403901.db2.gz ASEIELCMKNXFTF-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP CC(C)O[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660661712 1025424142 /nfs/dbraw/zinc/42/41/42/1025424142.db2.gz FPEQDFXLBNVANC-PMACEKPBSA-N 2 0 316.489 3.570 20 0 DHADRP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cs1 ZINC000925881044 1025430917 /nfs/dbraw/zinc/43/09/17/1025430917.db2.gz FMLGXMPCAVMDSE-OLMNPRSZSA-N 2 0 300.471 3.766 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885999196 1025431276 /nfs/dbraw/zinc/43/12/76/1025431276.db2.gz GAKQZRLQNYNXDV-GOSISDBHSA-N 2 0 308.510 3.580 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000354581579 1025461194 /nfs/dbraw/zinc/46/11/94/1025461194.db2.gz QLASQYHHFRZFIC-QZTJIDSGSA-N 2 0 310.445 3.586 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](C)OCc2ccccc2)[C@@H](C)C1 ZINC000354670644 1025478931 /nfs/dbraw/zinc/47/89/31/1025478931.db2.gz LXXSSKHQLIXNLX-BJLQDIEVSA-N 2 0 318.505 3.644 20 0 DHADRP C[NH+](C)CCOc1cccc(Nc2ccc(-n3ccnc3)cc2)c1 ZINC001212806974 1025490427 /nfs/dbraw/zinc/49/04/27/1025490427.db2.gz DVMAUNNIIYIYGS-UHFFFAOYSA-N 2 0 322.412 3.556 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CCC2 ZINC000125968167 1025497731 /nfs/dbraw/zinc/49/77/31/1025497731.db2.gz PSYIZCQQEGTUAS-GJZGRUSLSA-N 2 0 309.523 3.785 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2)cn1 ZINC000126461883 1025510482 /nfs/dbraw/zinc/51/04/82/1025510482.db2.gz WLBXYTFQOYUKSW-CYBMUJFWSA-N 2 0 310.376 3.566 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000126400980 1025510604 /nfs/dbraw/zinc/51/06/04/1025510604.db2.gz XGASUTTYAGYLBC-INIZCTEOSA-N 2 0 309.457 3.741 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354963580 1025560193 /nfs/dbraw/zinc/56/01/93/1025560193.db2.gz GVXIXNSKGWYQLK-BORJPKMPSA-N 2 0 322.880 3.632 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200468 1033294412 /nfs/dbraw/zinc/29/44/12/1033294412.db2.gz LJTHLOUDBDQLAI-KXBFYZLASA-N 2 0 304.453 3.988 20 0 DHADRP C[C@]1(C[NH3+])CCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000261695818 1025661874 /nfs/dbraw/zinc/66/18/74/1025661874.db2.gz LALDAXVVXJKZAS-QGZVFWFLSA-N 2 0 304.434 3.725 20 0 DHADRP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1 ZINC000886536164 1025684244 /nfs/dbraw/zinc/68/42/44/1025684244.db2.gz BXIHKOVFAFMEKA-IPJUCJBFSA-N 2 0 301.478 3.572 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886559067 1025707003 /nfs/dbraw/zinc/70/70/03/1025707003.db2.gz ZGEXEPFZPNSHCW-NRGCRIOASA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H](CCO)C1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000886562261 1025710145 /nfs/dbraw/zinc/71/01/45/1025710145.db2.gz VABOFNDLUVCERY-VIQWUECVSA-N 2 0 322.537 3.562 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000886588687 1025726998 /nfs/dbraw/zinc/72/69/98/1025726998.db2.gz XHDIHEBCYLMTGL-VUHPKUFZSA-N 2 0 308.510 3.577 20 0 DHADRP COCC(C)(C)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886609692 1025735628 /nfs/dbraw/zinc/73/56/28/1025735628.db2.gz ZMDWOYPCQMTJCD-UHFFFAOYSA-N 2 0 310.526 3.826 20 0 DHADRP CO[C@@](C)([C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886624844 1025748108 /nfs/dbraw/zinc/74/81/08/1025748108.db2.gz BGUIRWRLFVPTME-HJZRJOMTSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@]1(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1(F)F ZINC000886637925 1025753663 /nfs/dbraw/zinc/75/36/63/1025753663.db2.gz IAOYVDSUSFNMMY-HWOWSKLDSA-N 2 0 300.437 3.809 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000133010372 1025762956 /nfs/dbraw/zinc/76/29/56/1025762956.db2.gz MBVCQWHACXWIHL-FXAWDEMLSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCOC1 ZINC000886651542 1025763619 /nfs/dbraw/zinc/76/36/19/1025763619.db2.gz IYQQWABSJSNPRE-TXQGORRRSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806125488 1025792034 /nfs/dbraw/zinc/79/20/34/1025792034.db2.gz ALZWFHXKFCJANI-DZGCQCFKSA-N 2 0 309.885 3.822 20 0 DHADRP CS[C@@H]1CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000134579608 1025813690 /nfs/dbraw/zinc/81/36/90/1025813690.db2.gz LTWUJITUZGVRBR-QGZVFWFLSA-N 2 0 301.459 3.590 20 0 DHADRP COC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411267727 1025903508 /nfs/dbraw/zinc/90/35/08/1025903508.db2.gz LYQMBOMHYHNATP-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917529 1025973635 /nfs/dbraw/zinc/97/36/35/1025973635.db2.gz MSKAQYSPXUQEEK-SMTGMISWSA-N 2 0 302.437 3.696 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CSc2ccccc2)C1 ZINC000089614392 1026059107 /nfs/dbraw/zinc/05/91/07/1026059107.db2.gz XTAVUCSNXDFGMY-DLBZAZTESA-N 2 0 304.503 3.585 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cncc(F)c1 ZINC000090775254 1026084546 /nfs/dbraw/zinc/08/45/46/1026084546.db2.gz UKHZNOARIDVBIN-VNCLNFNDSA-N 2 0 319.468 3.914 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000093770241 1026127806 /nfs/dbraw/zinc/12/78/06/1026127806.db2.gz FIYMHPJKCNVKMO-SFHVURJKSA-N 2 0 309.457 3.522 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCOC1 ZINC000121633795 1026145886 /nfs/dbraw/zinc/14/58/86/1026145886.db2.gz MILUMBBCSBKTGH-FXAWDEMLSA-N 2 0 316.489 3.577 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000289809724 1026184300 /nfs/dbraw/zinc/18/43/00/1026184300.db2.gz PIEDVQNEQXMNRY-JKSUJKDBSA-N 2 0 320.477 3.564 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894162108 1026211839 /nfs/dbraw/zinc/21/18/39/1026211839.db2.gz XVNKVLJEAOGOLF-UHFFFAOYSA-N 2 0 304.459 3.569 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000289899193 1026222875 /nfs/dbraw/zinc/22/28/75/1026222875.db2.gz NIFCKBUZHDCBQM-IPJDOKCGSA-N 2 0 324.415 3.623 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1O ZINC000289996982 1026273437 /nfs/dbraw/zinc/27/34/37/1026273437.db2.gz YSNBNEUAMCBJGY-CVEARBPZSA-N 2 0 320.477 3.706 20 0 DHADRP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647796861 1026320531 /nfs/dbraw/zinc/32/05/31/1026320531.db2.gz PZKYXIKDNAIMFY-PSASMWSQSA-N 2 0 322.855 3.645 20 0 DHADRP Cc1ncoc1CNCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000894176065 1026324719 /nfs/dbraw/zinc/32/47/19/1026324719.db2.gz OLJFHSYIPLBTOV-HNNXBMFYSA-N 2 0 313.445 3.505 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000513678115 1026557883 /nfs/dbraw/zinc/55/78/83/1026557883.db2.gz IELJSYWITGFENB-BZUAXINKSA-N 2 0 324.415 3.559 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000513664961 1026558883 /nfs/dbraw/zinc/55/88/83/1026558883.db2.gz AGVHDETYZHROJN-ULQDDVLXSA-N 2 0 300.471 3.864 20 0 DHADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc(C)c1O ZINC000809625129 1026575951 /nfs/dbraw/zinc/57/59/51/1026575951.db2.gz YKAFTQBKSDDMLE-UHFFFAOYSA-N 2 0 316.489 3.896 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc3cnccc32)cc1 ZINC000809738847 1026611641 /nfs/dbraw/zinc/61/16/41/1026611641.db2.gz MNCWTUALLMRYIA-UHFFFAOYSA-N 2 0 319.452 3.928 20 0 DHADRP Cc1ccccc1[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000647886621 1026681973 /nfs/dbraw/zinc/68/19/73/1026681973.db2.gz CFPOWSKUUBMACO-YLJYHZDGSA-N 2 0 316.489 3.537 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000280758959 1026704255 /nfs/dbraw/zinc/70/42/55/1026704255.db2.gz FGWUBDXRVPXPIT-KBPBESRZSA-N 2 0 314.395 3.568 20 0 DHADRP Cc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C(F)(F)F ZINC000414450870 1026797983 /nfs/dbraw/zinc/79/79/83/1026797983.db2.gz HTTHACZYTHGMLR-MRXNPFEDSA-N 2 0 312.379 3.541 20 0 DHADRP c1ccc2sc([C@@H]3CCC[N@H+]3CC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000420311483 1026799952 /nfs/dbraw/zinc/79/99/52/1026799952.db2.gz WAHWWDSSYZHSRW-HOCLYGCPSA-N 2 0 315.486 3.823 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000420302871 1026800209 /nfs/dbraw/zinc/80/02/09/1026800209.db2.gz JUSUVJFKQYTRBW-CTNGQTDRSA-N 2 0 324.468 3.883 20 0 DHADRP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340527 1026802934 /nfs/dbraw/zinc/80/29/34/1026802934.db2.gz SHDMPXRUEPFQEL-ZWKOTPCHSA-N 2 0 308.416 3.880 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000420317359 1026803417 /nfs/dbraw/zinc/80/34/17/1026803417.db2.gz ZLVAOHMXQIQNFM-YQQAZPJKSA-N 2 0 322.880 3.686 20 0 DHADRP FCCCCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321281 1026803787 /nfs/dbraw/zinc/80/37/87/1026803787.db2.gz ZWJWBOGNCCNLAO-INIZCTEOSA-N 2 0 310.482 3.832 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420386941 1026812047 /nfs/dbraw/zinc/81/20/47/1026812047.db2.gz VJKKOVIFYXQFQX-JEBQAFNWSA-N 2 0 322.880 3.619 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(C)c2C)cc1 ZINC000420415730 1026813473 /nfs/dbraw/zinc/81/34/73/1026813473.db2.gz VDGDMHCKQBGSSV-FUHWJXTLSA-N 2 0 312.457 3.705 20 0 DHADRP C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420904009 1026874190 /nfs/dbraw/zinc/87/41/90/1026874190.db2.gz OYXGJTQHJYFQJL-SFHVURJKSA-N 2 0 324.468 3.712 20 0 DHADRP CCCC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924931581 1026944134 /nfs/dbraw/zinc/94/41/34/1026944134.db2.gz VGHBJYKUVJUCEO-BDZKXGRMSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(OC)c1OC ZINC000631640158 1026948800 /nfs/dbraw/zinc/94/88/00/1026948800.db2.gz XAQRDIXXMGWHAW-DQPZFDDXSA-N 2 0 320.477 3.617 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1cccc(Br)c1F ZINC000710764424 1026973862 /nfs/dbraw/zinc/97/38/62/1026973862.db2.gz GIVYBYBQVPHQAK-UHFFFAOYSA-N 2 0 317.246 3.539 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccncc1Cl ZINC000421821279 1027056600 /nfs/dbraw/zinc/05/66/00/1027056600.db2.gz QMXNSPBJTAFSRW-ZDUSSCGKSA-N 2 0 303.837 3.647 20 0 DHADRP COc1ccc([C@H]([NH2+]CCC2CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421827677 1027058764 /nfs/dbraw/zinc/05/87/64/1027058764.db2.gz YWVBARATSXDZMI-LJQANCHMSA-N 2 0 320.452 3.607 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnn(C2CCCC2)c1 ZINC000421888051 1027080308 /nfs/dbraw/zinc/08/03/08/1027080308.db2.gz WJLCLMXFOMVHHM-OOHWJJMZSA-N 2 0 304.482 3.522 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CCCO2 ZINC000421871798 1027080877 /nfs/dbraw/zinc/08/08/77/1027080877.db2.gz GFDCVFSROCZKNT-LEOMRAHMSA-N 2 0 302.462 3.671 20 0 DHADRP CC(C)[NH+](Cc1cncc(C[N@@H+](C(C)C)C2CC2)c1)C1CC1 ZINC000571154665 1027104980 /nfs/dbraw/zinc/10/49/80/1027104980.db2.gz DUYGDWSAPJKRFX-UHFFFAOYSA-N 2 0 301.478 3.827 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000571762766 1027146377 /nfs/dbraw/zinc/14/63/77/1027146377.db2.gz LHIOAEVCSVRFRF-RTBURBONSA-N 2 0 309.457 3.665 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Cl)c(N)c(Cl)c1 ZINC000271810611 1027151682 /nfs/dbraw/zinc/15/16/82/1027151682.db2.gz YQSFSVYIWCPWKS-SNVBAGLBSA-N 2 0 304.265 3.568 20 0 DHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000271855898 1027163775 /nfs/dbraw/zinc/16/37/75/1027163775.db2.gz JLPFTZGMLXDJOH-MRXNPFEDSA-N 2 0 307.441 3.661 20 0 DHADRP COC[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000562017550 1027181823 /nfs/dbraw/zinc/18/18/23/1027181823.db2.gz GSUUFIBMPJUHOE-WSTZPKSXSA-N 2 0 318.505 3.722 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000572201069 1027182792 /nfs/dbraw/zinc/18/27/92/1027182792.db2.gz SSIFXKMUXZGNMJ-NVXWUHKLSA-N 2 0 322.468 3.778 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000562019790 1027184393 /nfs/dbraw/zinc/18/43/93/1027184393.db2.gz PUMYXAPJQWFQOT-WOJBJXKFSA-N 2 0 316.489 3.685 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000562055606 1027203413 /nfs/dbraw/zinc/20/34/13/1027203413.db2.gz GLHDMSNCOYHDEW-TVKQPGBESA-N 2 0 318.505 3.896 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422735981 1027301703 /nfs/dbraw/zinc/30/17/03/1027301703.db2.gz VJYOKIMHDITXLW-WBMJQRKESA-N 2 0 312.860 3.734 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724530 1027304992 /nfs/dbraw/zinc/30/49/92/1027304992.db2.gz VXLYSHBUMXCVBS-JKSUJKDBSA-N 2 0 314.395 3.888 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422758583 1027306018 /nfs/dbraw/zinc/30/60/18/1027306018.db2.gz KLAYHDQSCJGZCY-APWZRJJASA-N 2 0 314.498 3.790 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1C ZINC000422724567 1027307582 /nfs/dbraw/zinc/30/75/82/1027307582.db2.gz WAWRFNOWDCSLQV-BHIYHBOVSA-N 2 0 311.473 3.795 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422774247 1027313766 /nfs/dbraw/zinc/31/37/66/1027313766.db2.gz WGCUBEWWJQVGKF-GUDVDZBRSA-N 2 0 318.530 3.739 20 0 DHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422754852 1027314360 /nfs/dbraw/zinc/31/43/60/1027314360.db2.gz GGMZNSWVLAAXHF-BVPBIZIASA-N 2 0 302.462 3.562 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])oc21 ZINC000422784103 1027318408 /nfs/dbraw/zinc/31/84/08/1027318408.db2.gz LVEQDSJENDVSAG-ZIAGYGMSSA-N 2 0 304.434 4.000 20 0 DHADRP CCN(c1ccccc1)c1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422787421 1027321432 /nfs/dbraw/zinc/32/14/32/1027321432.db2.gz LYDOHWDHDWOSGR-MRXNPFEDSA-N 2 0 309.457 3.542 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc([C@H](C)[NH3+])cc1 ZINC001170681083 1027324735 /nfs/dbraw/zinc/32/47/35/1027324735.db2.gz FXERNGKVCNCOSR-KBPBESRZSA-N 2 0 306.413 3.579 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422807205 1027327260 /nfs/dbraw/zinc/32/72/60/1027327260.db2.gz JICHQVUOPJBFGU-VNTMZGSJSA-N 2 0 300.490 3.937 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422810359 1027329571 /nfs/dbraw/zinc/32/95/71/1027329571.db2.gz RQBSBDZTZDEEBK-RNQOJCNYSA-N 2 0 316.489 3.583 20 0 DHADRP Fc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCCC2)cc1 ZINC000422792089 1027329897 /nfs/dbraw/zinc/32/98/97/1027329897.db2.gz WWDSHSQAVHCRJZ-SWDXFRIISA-N 2 0 302.437 3.930 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000422812936 1027331394 /nfs/dbraw/zinc/33/13/94/1027331394.db2.gz YMSOUZCJFXAMPC-GJZGRUSLSA-N 2 0 316.420 3.620 20 0 DHADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422789501 1027331610 /nfs/dbraw/zinc/33/16/10/1027331610.db2.gz WXZUPYLHUTXEHU-ZVDOUQERSA-N 2 0 322.452 3.983 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(c2ccccc2)CCC1 ZINC000422812169 1027331887 /nfs/dbraw/zinc/33/18/87/1027331887.db2.gz QBVSIPAUBSBYBF-OAHLLOKOSA-N 2 0 309.457 3.621 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000422828810 1027335494 /nfs/dbraw/zinc/33/54/94/1027335494.db2.gz BJDGJQSTKQQKRG-WDEREUQCSA-N 2 0 303.277 3.986 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422847696 1027338298 /nfs/dbraw/zinc/33/82/98/1027338298.db2.gz RVSVXCBRIDXTDD-YJBOKZPZSA-N 2 0 323.912 3.584 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(OC2CCCC2)c1 ZINC000422818229 1027339158 /nfs/dbraw/zinc/33/91/58/1027339158.db2.gz FSFVVWZNDAAKMF-HNNXBMFYSA-N 2 0 320.477 3.624 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422847589 1027339243 /nfs/dbraw/zinc/33/92/43/1027339243.db2.gz RVSVXCBRIDXTDD-CRAIPNDOSA-N 2 0 323.912 3.584 20 0 DHADRP c1cc(OC2CCCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422848021 1027339900 /nfs/dbraw/zinc/33/99/00/1027339900.db2.gz JDZJBJKTZSRNCA-JWTNVVGKSA-N 2 0 314.473 3.771 20 0 DHADRP c1ccc(C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422841291 1027340286 /nfs/dbraw/zinc/34/02/86/1027340286.db2.gz VNNWCFAQHJXNHV-CCDCCJRHSA-N 2 0 320.480 3.886 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422859891 1027343761 /nfs/dbraw/zinc/34/37/61/1027343761.db2.gz LHSOWZDLRSYCCZ-BPQIPLTHSA-N 2 0 320.452 3.625 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422842786 1027345392 /nfs/dbraw/zinc/34/53/92/1027345392.db2.gz GKNCEGAAZYSFNY-QRVBRYPASA-N 2 0 311.473 3.529 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422880686 1027347027 /nfs/dbraw/zinc/34/70/27/1027347027.db2.gz XMMHEFNRBQPBLY-OWCLPIDISA-N 2 0 324.415 3.607 20 0 DHADRP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422843621 1027347321 /nfs/dbraw/zinc/34/73/21/1027347321.db2.gz IYUYKQXDYAGYLR-YYQUZTFQSA-N 2 0 320.477 3.873 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422888038 1027349352 /nfs/dbraw/zinc/34/93/52/1027349352.db2.gz ZTSRRMMSCOFFKP-GUDVDZBRSA-N 3 0 309.542 3.541 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422885567 1027349529 /nfs/dbraw/zinc/34/95/29/1027349529.db2.gz GZURFKFZHBCXED-CHWSQXEVSA-N 2 0 315.486 3.685 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422885682 1027351382 /nfs/dbraw/zinc/35/13/82/1027351382.db2.gz UXTMMQCOJPJRHL-QZTJIDSGSA-N 3 0 317.521 3.668 20 0 DHADRP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422873693 1027353622 /nfs/dbraw/zinc/35/36/22/1027353622.db2.gz LTIRLZNOAGQNKJ-KPFFTGBYSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422875390 1027354211 /nfs/dbraw/zinc/35/42/11/1027354211.db2.gz CGRBFLBCECVFQC-MAUKXSAKSA-N 2 0 304.453 3.615 20 0 DHADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422875080 1027354336 /nfs/dbraw/zinc/35/43/36/1027354336.db2.gz BQWQQHRHBRAQGW-CVEARBPZSA-N 2 0 323.912 3.582 20 0 DHADRP CC(C)COc1cccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422900969 1027355586 /nfs/dbraw/zinc/35/55/86/1027355586.db2.gz REYMCDWDJNAYJB-WOJBJXKFSA-N 2 0 310.441 3.956 20 0 DHADRP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422908504 1027359607 /nfs/dbraw/zinc/35/96/07/1027359607.db2.gz MSKFZEZCTUIUCY-IXDOHACOSA-N 2 0 321.534 3.675 20 0 DHADRP C[C@@H]1C[C@H]1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422922400 1027360588 /nfs/dbraw/zinc/36/05/88/1027360588.db2.gz QFUQYEHXCHEDIS-LTJOPYNBSA-N 2 0 304.865 3.910 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422923407 1027361046 /nfs/dbraw/zinc/36/10/46/1027361046.db2.gz RXZZEDOEEXZIFO-HLIPFELVSA-N 2 0 315.505 3.861 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2ccc(COc3ccccc3)cc2)CC1 ZINC000422925166 1027361694 /nfs/dbraw/zinc/36/16/94/1027361694.db2.gz AOVQPLATURLZNL-UHFFFAOYSA-N 2 0 324.468 3.873 20 0 DHADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422923152 1027362391 /nfs/dbraw/zinc/36/23/91/1027362391.db2.gz RHBTWCXSLFCIAV-GUDVDZBRSA-N 2 0 312.457 3.876 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1csc2ccccc12 ZINC000422935614 1027366307 /nfs/dbraw/zinc/36/63/07/1027366307.db2.gz LFEUBIPCBWHJRO-BEFAXECRSA-N 2 0 324.493 3.992 20 0 DHADRP C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422926823 1027366612 /nfs/dbraw/zinc/36/66/12/1027366612.db2.gz XOVMJIBDSOTDIN-TXPKVOOTSA-N 2 0 301.478 3.613 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[NH+]1CCCC1 ZINC000574194405 1027370088 /nfs/dbraw/zinc/37/00/88/1027370088.db2.gz UUVTTZAEGUQZMP-LJQANCHMSA-N 2 0 311.473 3.929 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422940751 1027370191 /nfs/dbraw/zinc/37/01/91/1027370191.db2.gz UIPXHVOEGSHJLF-AZUAARDMSA-N 2 0 324.468 3.840 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[NH+]1CCCC1 ZINC000574194398 1027372223 /nfs/dbraw/zinc/37/22/23/1027372223.db2.gz UUVTTZAEGUQZMP-IBGZPJMESA-N 2 0 311.473 3.929 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422922109 1027372539 /nfs/dbraw/zinc/37/25/39/1027372539.db2.gz RZPWAVZIWUFDDN-BXKDBHETSA-N 2 0 303.233 3.534 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422922060 1027372764 /nfs/dbraw/zinc/37/27/64/1027372764.db2.gz RSDSFIZBVIEUDQ-GFCCVEGCSA-N 2 0 300.849 3.864 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000422945781 1027374815 /nfs/dbraw/zinc/37/48/15/1027374815.db2.gz NWIOZYOWOCVTNE-RDJZCZTQSA-N 2 0 320.477 3.667 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)c2ccccc21 ZINC000422955799 1027378016 /nfs/dbraw/zinc/37/80/16/1027378016.db2.gz NLKQZQYTBGBDTK-SJORKVTESA-N 2 0 304.796 3.756 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422995223 1027382673 /nfs/dbraw/zinc/38/26/73/1027382673.db2.gz JQALWAOMIGFFLW-OAHLLOKOSA-N 2 0 309.457 3.522 20 0 DHADRP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422999025 1027385966 /nfs/dbraw/zinc/38/59/66/1027385966.db2.gz DMHMIBGLPPIEQN-IAGOWNOFSA-N 2 0 306.519 3.906 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423019365 1027391855 /nfs/dbraw/zinc/39/18/55/1027391855.db2.gz VJSWVEJKQCKSTD-WDEREUQCSA-N 2 0 321.317 3.942 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000423049457 1027393386 /nfs/dbraw/zinc/39/33/86/1027393386.db2.gz XRJUDVOOCLPCRJ-UVBJJODRSA-N 2 0 312.379 3.539 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000423024301 1027393569 /nfs/dbraw/zinc/39/35/69/1027393569.db2.gz JEJOULMSLOOCDQ-SEEARECTSA-N 2 0 308.853 3.661 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000423023304 1027395408 /nfs/dbraw/zinc/39/54/08/1027395408.db2.gz JLKSPOXGDSGGLJ-IAMHBRQHSA-N 2 0 309.457 3.823 20 0 DHADRP Fc1cccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423027080 1027397750 /nfs/dbraw/zinc/39/77/50/1027397750.db2.gz CVHPULGWXQIKDA-GUDVDZBRSA-N 2 0 319.468 3.528 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccnc1Cl ZINC000157921073 1027398440 /nfs/dbraw/zinc/39/84/40/1027398440.db2.gz YCYHUUVNJLQDST-CABCVRRESA-N 2 0 309.885 3.898 20 0 DHADRP CCSc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000423067317 1027404955 /nfs/dbraw/zinc/40/49/55/1027404955.db2.gz YXVJEGVGRIWGAH-BRWVUGGUSA-N 2 0 319.518 3.594 20 0 DHADRP C[C@@H]([NH2+]CC1(c2c(Cl)cccc2Cl)CCC1)C1C[NH2+]C1 ZINC000423087695 1027411136 /nfs/dbraw/zinc/41/11/36/1027411136.db2.gz OQOLGRKCRDNIDA-LLVKDONJSA-N 2 0 313.272 3.613 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)c2ccccc21 ZINC000423088011 1027411834 /nfs/dbraw/zinc/41/18/34/1027411834.db2.gz QVENMKOBZVAJFE-HBGVWJBISA-N 2 0 321.468 3.637 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423098142 1027414074 /nfs/dbraw/zinc/41/40/74/1027414074.db2.gz CCWGFEQJBNQUDL-BHYGNILZSA-N 2 0 322.880 3.749 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098677 1027415273 /nfs/dbraw/zinc/41/52/73/1027415273.db2.gz DFBTYMJKEKHRGM-WFASDCNBSA-N 2 0 321.877 3.681 20 0 DHADRP Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423097681 1027415353 /nfs/dbraw/zinc/41/53/53/1027415353.db2.gz RCQYGQMIOHBONX-BHIYHBOVSA-N 2 0 304.453 3.659 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423075830 1027417362 /nfs/dbraw/zinc/41/73/62/1027417362.db2.gz PLSYPQRHCNTKNM-HNONPPJISA-N 2 0 322.880 3.618 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423101752 1027418139 /nfs/dbraw/zinc/41/81/39/1027418139.db2.gz JDRDQSNJIZNBBT-CXAGYDPISA-N 2 0 310.869 3.525 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423102695 1027418255 /nfs/dbraw/zinc/41/82/55/1027418255.db2.gz ONFQYQURDCGISS-DRZSPHRISA-N 2 0 301.261 3.956 20 0 DHADRP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423117355 1027418469 /nfs/dbraw/zinc/41/84/69/1027418469.db2.gz VBSWWRLYGWSZCE-DJSGYFEHSA-N 2 0 312.379 3.744 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423124282 1027421378 /nfs/dbraw/zinc/42/13/78/1027421378.db2.gz ODEFRPBGYWFCNQ-HRCADAONSA-N 2 0 314.395 3.515 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423123064 1027422001 /nfs/dbraw/zinc/42/20/01/1027422001.db2.gz LXQACRKBBNHFAZ-GRERDSQWSA-N 2 0 324.468 3.839 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000423122348 1027422243 /nfs/dbraw/zinc/42/22/43/1027422243.db2.gz KJTZZGWXCZXUMM-XLNTUCKNSA-N 2 0 308.425 3.641 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423104780 1027425195 /nfs/dbraw/zinc/42/51/95/1027425195.db2.gz YOXITRZPRINQRU-JCCCHCCOSA-N 2 0 310.844 3.917 20 0 DHADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423113673 1027429498 /nfs/dbraw/zinc/42/94/98/1027429498.db2.gz KTQVOXXLOONZCS-CAOSSQGBSA-N 2 0 300.437 3.712 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000423151953 1027430825 /nfs/dbraw/zinc/43/08/25/1027430825.db2.gz KXVZHXNODWEWOE-IRXDYDNUSA-N 2 0 320.795 3.592 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423148333 1027432527 /nfs/dbraw/zinc/43/25/27/1027432527.db2.gz VDJXGYFMBBAXDE-YJYMSZOUSA-N 2 0 313.420 3.716 20 0 DHADRP CC[C@@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423173106 1027438532 /nfs/dbraw/zinc/43/85/32/1027438532.db2.gz WXZUPYLHUTXEHU-DYXWJJEUSA-N 2 0 322.452 3.983 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1(C2CCC2)CCC1 ZINC000423173112 1027439088 /nfs/dbraw/zinc/43/90/88/1027439088.db2.gz WYADDQRQGROUGU-MJGOQNOKSA-N 2 0 312.457 3.555 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207012 1027445969 /nfs/dbraw/zinc/44/59/69/1027445969.db2.gz GKCINUFDYNZEPC-SOLBZPMBSA-N 2 0 306.881 3.640 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423212482 1027448243 /nfs/dbraw/zinc/44/82/43/1027448243.db2.gz LZPVFCRNLOTAQY-JKSUJKDBSA-N 2 0 313.489 3.813 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423212910 1027451599 /nfs/dbraw/zinc/45/15/99/1027451599.db2.gz JELYDCHZSHHTEK-CLCXKQKWSA-N 2 0 311.473 3.831 20 0 DHADRP [NH3+]CCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423196963 1027453554 /nfs/dbraw/zinc/45/35/54/1027453554.db2.gz XBFHIUPHFSKXEX-UHFFFAOYSA-N 2 0 300.368 3.670 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000423203636 1027455250 /nfs/dbraw/zinc/45/52/50/1027455250.db2.gz CRZMOOPBTMCQFO-CVEARBPZSA-N 2 0 320.477 3.524 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423203640 1027456447 /nfs/dbraw/zinc/45/64/47/1027456447.db2.gz CRZMOOPBTMCQFO-HZPDHXFCSA-N 2 0 320.477 3.524 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423205226 1027456678 /nfs/dbraw/zinc/45/66/78/1027456678.db2.gz DYZHIOATUFXDAY-IRXDYDNUSA-N 2 0 304.478 3.762 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423220594 1027462330 /nfs/dbraw/zinc/46/23/30/1027462330.db2.gz YJAVXOWTOCYRJR-IEBWSBKVSA-N 2 0 324.468 3.916 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423220871 1027462568 /nfs/dbraw/zinc/46/25/68/1027462568.db2.gz WCGLSAYETUQUGW-OWCLPIDISA-N 2 0 312.457 3.887 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423220595 1027463084 /nfs/dbraw/zinc/46/30/84/1027463084.db2.gz YJAVXOWTOCYRJR-MJGOQNOKSA-N 2 0 324.468 3.916 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423220907 1027463376 /nfs/dbraw/zinc/46/33/76/1027463376.db2.gz YVESWZNXAQRPKH-CZUORRHYSA-N 2 0 314.395 3.992 20 0 DHADRP CC[NH2+]CCCN[C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000575242519 1027468675 /nfs/dbraw/zinc/46/86/75/1027468675.db2.gz HYPZRYSZVRDLOP-CQSZACIVSA-N 2 0 317.502 3.693 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1csc(-c2ccccc2F)n1 ZINC000423231770 1027468717 /nfs/dbraw/zinc/46/87/17/1027468717.db2.gz LTSGDKOPFHVWND-HIFPTAJRSA-N 2 0 319.449 3.870 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423232120 1027468805 /nfs/dbraw/zinc/46/88/05/1027468805.db2.gz MLVPEZRNSGWTOF-RYUDHWBXSA-N 2 0 308.372 3.829 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423241145 1027472566 /nfs/dbraw/zinc/47/25/66/1027472566.db2.gz DECUGAIGEJKXDC-QWHCGFSZSA-N 2 0 319.449 3.599 20 0 DHADRP Fc1ccc(C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423248102 1027474814 /nfs/dbraw/zinc/47/48/14/1027474814.db2.gz MNUZITGWEAUGQS-YLJYHZDGSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423250988 1027476162 /nfs/dbraw/zinc/47/61/62/1027476162.db2.gz RITCQDBXLOAPRD-QWHCGFSZSA-N 2 0 314.445 3.694 20 0 DHADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423259689 1027477404 /nfs/dbraw/zinc/47/74/04/1027477404.db2.gz FOFGEPPVHYIWSB-GXTWGEPZSA-N 2 0 318.383 3.652 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H](CN)C2CCCCC2)cc1OC ZINC000423261469 1027477652 /nfs/dbraw/zinc/47/76/52/1027477652.db2.gz JVDJTYGSOBNARI-PBHICJAKSA-N 2 0 320.477 3.570 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423256434 1027477742 /nfs/dbraw/zinc/47/77/42/1027477742.db2.gz DZWJYNUTFUIZQB-STQMWFEESA-N 2 0 300.368 3.746 20 0 DHADRP CC[C@@H]([NH2+][C@H](CN)CC(C)C)c1ccc(OC(F)F)cc1 ZINC000423259531 1027479049 /nfs/dbraw/zinc/47/90/49/1027479049.db2.gz FFHQHCXDSDZWDJ-DZGCQCFKSA-N 2 0 300.393 3.702 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423253106 1027479820 /nfs/dbraw/zinc/47/98/20/1027479820.db2.gz VCSXULBOYJSIPK-HZPDHXFCSA-N 2 0 311.429 3.524 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423288684 1027483457 /nfs/dbraw/zinc/48/34/57/1027483457.db2.gz UJRNMHNARWQPBO-KGLIPLIRSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000423293407 1027486877 /nfs/dbraw/zinc/48/68/77/1027486877.db2.gz RHBJUOLPQSWKQR-GTNSWQLSSA-N 2 0 302.368 3.762 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423269108 1027490208 /nfs/dbraw/zinc/49/02/08/1027490208.db2.gz GOKFZCGZVQQXMA-HUUCEWRRSA-N 2 0 301.478 3.669 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423278382 1027493263 /nfs/dbraw/zinc/49/32/63/1027493263.db2.gz PSVSDPHRDLFHSP-FUHWJXTLSA-N 2 0 323.569 3.773 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423278828 1027494303 /nfs/dbraw/zinc/49/43/03/1027494303.db2.gz RQAINQHZYRGQKI-SMDDNHRTSA-N 2 0 320.424 3.555 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423317529 1027498869 /nfs/dbraw/zinc/49/88/69/1027498869.db2.gz BRZYVERFLOQRMB-SWLSCSKDSA-N 2 0 316.367 3.626 20 0 DHADRP Clc1ccccc1CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423298745 1027504312 /nfs/dbraw/zinc/50/43/12/1027504312.db2.gz AEBMNOBCZDHCFB-LJQANCHMSA-N 2 0 314.860 3.823 20 0 DHADRP Clc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423348643 1027505993 /nfs/dbraw/zinc/50/59/93/1027505993.db2.gz UTCXVSQPHXXYPE-LJQANCHMSA-N 2 0 312.844 3.939 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CCCC[NH3+])c1ccccc1Cl ZINC000423323488 1027507746 /nfs/dbraw/zinc/50/77/46/1027507746.db2.gz JNFOPGFKNZBEOG-SFHVURJKSA-N 2 0 318.848 3.767 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303850 1027508288 /nfs/dbraw/zinc/50/82/88/1027508288.db2.gz MRIQRCSRXBXDHH-CVEARBPZSA-N 2 0 312.379 3.541 20 0 DHADRP [NH3+]CCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423330026 1027510969 /nfs/dbraw/zinc/51/09/69/1027510969.db2.gz LPSWCZISHQDSDY-AWEZNQCLSA-N 2 0 319.449 3.655 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)ccc2c1 ZINC000423331449 1027511817 /nfs/dbraw/zinc/51/18/17/1027511817.db2.gz OKNHRZOMNLIJEA-MGPUTAFESA-N 2 0 312.457 3.889 20 0 DHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(SCC(F)F)cc1 ZINC000423339485 1027512800 /nfs/dbraw/zinc/51/28/00/1027512800.db2.gz IUBCZBWCBHYGKH-LBPRGKRZSA-N 2 0 312.429 3.614 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423334477 1027513889 /nfs/dbraw/zinc/51/38/89/1027513889.db2.gz WLTQPJMZDWMKLH-SJORKVTESA-N 2 0 300.471 3.667 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423334715 1027514572 /nfs/dbraw/zinc/51/45/72/1027514572.db2.gz RCIODUBLWLCNHN-OXJNMPFZSA-N 2 0 309.457 3.789 20 0 DHADRP C[C@H]([NH2+]CC1([NH3+])CCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423335675 1027515207 /nfs/dbraw/zinc/51/52/07/1027515207.db2.gz UCDZJFRKGNLNSI-QWRGUYRKSA-N 2 0 317.260 3.620 20 0 DHADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423353485 1027516454 /nfs/dbraw/zinc/51/64/54/1027516454.db2.gz LTZNUXCILZVHON-HNNXBMFYSA-N 2 0 314.351 3.546 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1Cl ZINC000423342187 1027517325 /nfs/dbraw/zinc/51/73/25/1027517325.db2.gz CZUJJGVRPIDXRH-CYBMUJFWSA-N 2 0 308.853 3.698 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423350189 1027517635 /nfs/dbraw/zinc/51/76/35/1027517635.db2.gz YSJBGBUOTJMJBV-GOSISDBHSA-N 2 0 312.482 3.850 20 0 DHADRP Cc1cccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423353033 1027517823 /nfs/dbraw/zinc/51/78/23/1027517823.db2.gz LHCXVCLHBKAQAJ-FQEVSTJZSA-N 2 0 310.416 3.733 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423353034 1027518216 /nfs/dbraw/zinc/51/82/16/1027518216.db2.gz LHCXVCLHBKAQAJ-HXUWFJFHSA-N 2 0 310.416 3.733 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423362642 1027520906 /nfs/dbraw/zinc/52/09/06/1027520906.db2.gz BJTIYCJHKZRSIJ-HUHSQHJXSA-N 2 0 306.881 3.639 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(OCc2ccccc2)cc1 ZINC000423362531 1027521287 /nfs/dbraw/zinc/52/12/87/1027521287.db2.gz BDSXHPRTOQLNJN-WWMYMODYSA-N 2 0 324.468 3.914 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000423363023 1027521391 /nfs/dbraw/zinc/52/13/91/1027521391.db2.gz AERMAERONVCAGX-ZOBORPQBSA-N 2 0 303.475 3.518 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000423365126 1027522755 /nfs/dbraw/zinc/52/27/55/1027522755.db2.gz CWJVJLBTJHAIDA-BHYGNILZSA-N 2 0 320.477 3.523 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000423368950 1027523549 /nfs/dbraw/zinc/52/35/49/1027523549.db2.gz BLQJQANUGMCKOQ-IPYPFGDCSA-N 2 0 310.869 3.918 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423382108 1027527954 /nfs/dbraw/zinc/52/79/54/1027527954.db2.gz DFYXTXBHYWDBAS-IIDMSEBBSA-N 2 0 313.489 3.812 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423385502 1027531034 /nfs/dbraw/zinc/53/10/34/1027531034.db2.gz QVDRDXLRURXXGR-RYRKJORJSA-N 2 0 304.478 3.903 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423392680 1027531873 /nfs/dbraw/zinc/53/18/73/1027531873.db2.gz LPYUNTQKSUNPRH-MNEFBYGVSA-N 2 0 304.478 3.760 20 0 DHADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423390560 1027531902 /nfs/dbraw/zinc/53/19/02/1027531902.db2.gz OYCQLZQFSKQXDE-UWJYYQICSA-N 2 0 322.452 3.547 20 0 DHADRP CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423391613 1027532171 /nfs/dbraw/zinc/53/21/71/1027532171.db2.gz NSZPPVSFYKNHPR-KRWDZBQOSA-N 2 0 324.896 3.787 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423395492 1027535544 /nfs/dbraw/zinc/53/55/44/1027535544.db2.gz SSYDUKQDRCLBHT-CHWSQXEVSA-N 2 0 302.384 3.614 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423427016 1027547421 /nfs/dbraw/zinc/54/74/21/1027547421.db2.gz QCBAAJMMERVEAA-ULQDDVLXSA-N 2 0 304.478 3.890 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423433544 1027549794 /nfs/dbraw/zinc/54/97/94/1027549794.db2.gz NDJLOVXAJOKGEL-STQMWFEESA-N 2 0 318.490 3.682 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1-c1cc(C)ccc1C ZINC000423455094 1027552824 /nfs/dbraw/zinc/55/28/24/1027552824.db2.gz MDWYNTJFVDUGJM-HOTGVXAUSA-N 2 0 314.477 3.576 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000423462352 1027555395 /nfs/dbraw/zinc/55/53/95/1027555395.db2.gz DROCDGKZAIWDLM-UKPHBRMFSA-N 2 0 318.461 3.931 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2c1 ZINC000423467408 1027557506 /nfs/dbraw/zinc/55/75/06/1027557506.db2.gz IVESWBGDKDEGGJ-ZNMIVQPWSA-N 2 0 316.445 3.918 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000423466660 1027558841 /nfs/dbraw/zinc/55/88/41/1027558841.db2.gz ISRFKWXZEQEKMY-MZMPZRCHSA-N 2 0 306.881 3.768 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cc(Br)cs1 ZINC000423478015 1027561966 /nfs/dbraw/zinc/56/19/66/1027561966.db2.gz SYCUVTSLRXFJNE-NHCYSSNCSA-N 2 0 317.296 3.679 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000423499640 1027564187 /nfs/dbraw/zinc/56/41/87/1027564187.db2.gz HUPWFPRYJOWMQU-DJSGYFEHSA-N 2 0 323.278 3.544 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423484197 1027571824 /nfs/dbraw/zinc/57/18/24/1027571824.db2.gz ZYWWGMROAHZUCH-SQWLQELKSA-N 2 0 315.486 3.978 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000423494810 1027575267 /nfs/dbraw/zinc/57/52/67/1027575267.db2.gz BAUVUYRWCVVYKW-KBXCAEBGSA-N 2 0 316.420 3.965 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423514331 1027576521 /nfs/dbraw/zinc/57/65/21/1027576521.db2.gz WHCLQIGJQDTCBY-RTBURBONSA-N 2 0 310.441 3.752 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000423519490 1027576749 /nfs/dbraw/zinc/57/67/49/1027576749.db2.gz PUXWJFZAGLSDRK-PMACEKPBSA-N 2 0 310.441 3.839 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000423517487 1027578474 /nfs/dbraw/zinc/57/84/74/1027578474.db2.gz YXLVHSWTZAFUTH-KUHUBIRLSA-N 2 0 316.420 3.965 20 0 DHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cn1 ZINC000423523589 1027580845 /nfs/dbraw/zinc/58/08/45/1027580845.db2.gz WGJZQRKHAQEVSC-CXAGYDPISA-N 2 0 303.837 3.866 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000423540578 1027583103 /nfs/dbraw/zinc/58/31/03/1027583103.db2.gz JXRPVQVAHUCPBC-ADAWSYLGSA-N 2 0 308.416 3.640 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539020 1027583794 /nfs/dbraw/zinc/58/37/94/1027583794.db2.gz OHOHVDQRAMLRSB-LBPRGKRZSA-N 2 0 313.272 3.824 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423564886 1027585723 /nfs/dbraw/zinc/58/57/23/1027585723.db2.gz SIJCMVBBHVJFKO-LBPRGKRZSA-N 2 0 314.351 3.546 20 0 DHADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(F)ccc1F ZINC000423555588 1027585957 /nfs/dbraw/zinc/58/59/57/1027585957.db2.gz YCCCGOPNWMCDDI-OSDKZWGASA-N 2 0 308.416 3.640 20 0 DHADRP Brc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)cc1 ZINC000423574517 1027588895 /nfs/dbraw/zinc/58/88/95/1027588895.db2.gz ZZBMQVLZKNUVKK-INIZCTEOSA-N 2 0 323.278 3.632 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000296503269 1027654386 /nfs/dbraw/zinc/65/43/86/1027654386.db2.gz RCHKBVIYDWEXTN-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000363546422 1027669836 /nfs/dbraw/zinc/66/98/36/1027669836.db2.gz RMYGSFCLQPQIHA-ZIFCJYIRSA-N 2 0 314.473 3.734 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(SC(F)F)cc1 ZINC000813876952 1027747081 /nfs/dbraw/zinc/74/70/81/1027747081.db2.gz FIOSUHIZRSMNPL-NWDGAFQWSA-N 2 0 302.434 3.850 20 0 DHADRP Cc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000527533219 1027737480 /nfs/dbraw/zinc/73/74/80/1027737480.db2.gz HKDIVVQXEXYPKY-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562958756 1027826608 /nfs/dbraw/zinc/82/66/08/1027826608.db2.gz SIWYVSPADCMXNV-ZCNNSNEGSA-N 2 0 316.489 3.527 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000527708925 1027842092 /nfs/dbraw/zinc/84/20/92/1027842092.db2.gz CNECSQZHBPCDRW-NRFANRHFSA-N 2 0 323.484 3.782 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000364657485 1027869472 /nfs/dbraw/zinc/86/94/72/1027869472.db2.gz UWZDISQIUQWSAH-GVDBMIGSSA-N 2 0 302.462 3.589 20 0 DHADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OCC ZINC000527929711 1027990662 /nfs/dbraw/zinc/99/06/62/1027990662.db2.gz HZTRJECKPZIDNI-SXLOBPIMSA-N 2 0 318.505 3.692 20 0 DHADRP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCN1C1CCCC1 ZINC000527998571 1028021691 /nfs/dbraw/zinc/02/16/91/1028021691.db2.gz DUSQSAGNZJQVGL-IPCDKGFNSA-N 2 0 320.521 3.863 20 0 DHADRP C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578109295 1028052519 /nfs/dbraw/zinc/05/25/19/1028052519.db2.gz DSBWKDFISCUPMP-OXQOHEQNSA-N 2 0 312.501 3.644 20 0 DHADRP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@@H](C)C1 ZINC001168102183 1028060479 /nfs/dbraw/zinc/06/04/79/1028060479.db2.gz OFXUGZXZOFGIQG-LEAZDLGRSA-N 2 0 316.489 3.634 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1sccc1Br ZINC000578126448 1028061861 /nfs/dbraw/zinc/06/18/61/1028061861.db2.gz DHGDSGAAZPYSKC-MNOVXSKESA-N 2 0 317.296 3.551 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367081939 1028135549 /nfs/dbraw/zinc/13/55/49/1028135549.db2.gz WLURQHXTYSCHOS-PXNSSMCTSA-N 2 0 315.505 3.962 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)C[C@@H]21 ZINC001170765887 1028218087 /nfs/dbraw/zinc/21/80/87/1028218087.db2.gz YDSAIVNSKXQHGU-UQVNRYHBSA-N 2 0 324.512 3.875 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000367634876 1028218415 /nfs/dbraw/zinc/21/84/15/1028218415.db2.gz PGQVMHRLQOGPLV-SUMWQHHRSA-N 2 0 320.864 3.628 20 0 DHADRP COc1cccc2c(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cccc12 ZINC000449013741 1028246345 /nfs/dbraw/zinc/24/63/45/1028246345.db2.gz MPJNBMRDVOLPCN-INIZCTEOSA-N 2 0 312.457 3.622 20 0 DHADRP C[N@H+](C[C@H]1Cc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367856690 1028251556 /nfs/dbraw/zinc/25/15/56/1028251556.db2.gz MMLIBARASMZUQG-LJQANCHMSA-N 2 0 321.468 3.570 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC000449046831 1028310731 /nfs/dbraw/zinc/31/07/31/1028310731.db2.gz MBWLHZDZFUBGID-ICSRJNTNSA-N 2 0 324.468 3.765 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC000449046830 1028311924 /nfs/dbraw/zinc/31/19/24/1028311924.db2.gz MBWLHZDZFUBGID-AZUAARDMSA-N 2 0 324.468 3.765 20 0 DHADRP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000368229401 1028322775 /nfs/dbraw/zinc/32/27/75/1028322775.db2.gz UYWOTGWFMTYLCN-IRXDYDNUSA-N 2 0 304.503 3.555 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCCc1cncn1C ZINC000579122879 1028327573 /nfs/dbraw/zinc/32/75/73/1028327573.db2.gz AKJQJOIKEBHLKZ-AWEZNQCLSA-N 2 0 320.506 3.934 20 0 DHADRP COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2C)cc2ccccc21 ZINC000449070171 1028329295 /nfs/dbraw/zinc/32/92/95/1028329295.db2.gz BIWQOQDZMIJXFD-HNNXBMFYSA-N 2 0 323.440 3.779 20 0 DHADRP c1c2cccnc2oc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000449067602 1028331717 /nfs/dbraw/zinc/33/17/17/1028331717.db2.gz MWSYHEFYLZDHJK-UHFFFAOYSA-N 2 0 321.424 3.713 20 0 DHADRP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000579258485 1028363224 /nfs/dbraw/zinc/36/32/24/1028363224.db2.gz ONCMSGVTKAIKTQ-KCITZHQASA-N 2 0 302.462 3.545 20 0 DHADRP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000579258487 1028363378 /nfs/dbraw/zinc/36/33/78/1028363378.db2.gz ONCMSGVTKAIKTQ-PBWTXFEYSA-N 2 0 302.462 3.545 20 0 DHADRP COc1ccc(F)c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000815129235 1028372302 /nfs/dbraw/zinc/37/23/02/1028372302.db2.gz VXFGZGBRAUEAKA-UHFFFAOYSA-N 2 0 320.452 3.721 20 0 DHADRP COc1c(C)cc(C[NH2+]CCCCC[NH+]2CCCC2)cc1C ZINC000815151643 1028382021 /nfs/dbraw/zinc/38/20/21/1028382021.db2.gz RHSXYXKHQKUPRZ-UHFFFAOYSA-N 2 0 304.478 3.668 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000449113864 1028393174 /nfs/dbraw/zinc/39/31/74/1028393174.db2.gz XTPQYJZLVPHANM-PKOBYXMFSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)[C@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449154127 1028405843 /nfs/dbraw/zinc/40/58/43/1028405843.db2.gz LVLWOHVLNSRZIS-LJQANCHMSA-N 2 0 312.542 3.662 20 0 DHADRP CC(C)[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449154126 1028406289 /nfs/dbraw/zinc/40/62/89/1028406289.db2.gz LVLWOHVLNSRZIS-IBGZPJMESA-N 2 0 312.542 3.662 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000564440453 1028448305 /nfs/dbraw/zinc/44/83/05/1028448305.db2.gz HUSOOTVKPOAMHX-KBXCAEBGSA-N 2 0 312.461 3.841 20 0 DHADRP C[NH+](C)CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000579626721 1028451880 /nfs/dbraw/zinc/45/18/80/1028451880.db2.gz GVOXGEDFJDLROU-LJQANCHMSA-N 2 0 300.421 3.651 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449217051 1028459843 /nfs/dbraw/zinc/45/98/43/1028459843.db2.gz WRUBVWGQQQPROH-NEPXVJNWSA-N 2 0 318.530 3.628 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@]2(C)CCCOC2)CC1 ZINC000449223126 1028461983 /nfs/dbraw/zinc/46/19/83/1028461983.db2.gz OAAPSHZEKGNWTO-IBGZPJMESA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000564822866 1028508221 /nfs/dbraw/zinc/50/82/21/1028508221.db2.gz OLCDAWFANPZRAA-GFCCVEGCSA-N 2 0 321.465 3.908 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000449262051 1028514182 /nfs/dbraw/zinc/51/41/82/1028514182.db2.gz BBONKCXCRZKUSO-HLIPFELVSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449296945 1028520543 /nfs/dbraw/zinc/52/05/43/1028520543.db2.gz DRDZWPYAWBRPHR-FAEJEUNOSA-N 2 0 312.457 3.970 20 0 DHADRP C[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC000449304301 1028523575 /nfs/dbraw/zinc/52/35/75/1028523575.db2.gz ZFZZIHGSXGNYMV-NLNFPOJYSA-N 2 0 308.416 3.675 20 0 DHADRP COc1cccc2c(C[NH2+]CC3CC[NH+](C4CC4)CC3)cccc12 ZINC000449290796 1028529451 /nfs/dbraw/zinc/52/94/51/1028529451.db2.gz YRTTVAUOFJVPEQ-UHFFFAOYSA-N 2 0 324.468 3.812 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C)cc1OC ZINC000449326691 1028533979 /nfs/dbraw/zinc/53/39/79/1028533979.db2.gz YFFLRAGBOUPYNG-UHFFFAOYSA-N 2 0 315.461 3.675 20 0 DHADRP COc1cccc2c(C[N@H+](C)[C@H]3CCN(C)C[C@@H]3C)cccc12 ZINC000449328091 1028539632 /nfs/dbraw/zinc/53/96/32/1028539632.db2.gz DSVGHMHCIIVEND-KXBFYZLASA-N 2 0 312.457 3.620 20 0 DHADRP COc1cccc2c(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cccc12 ZINC000449330656 1028542651 /nfs/dbraw/zinc/54/26/51/1028542651.db2.gz LZIXOMDZFNSOLQ-YLJYHZDGSA-N 2 0 324.468 3.765 20 0 DHADRP COc1cccc2c(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cccc12 ZINC000449345927 1028559554 /nfs/dbraw/zinc/55/95/54/1028559554.db2.gz XUBIZHGSWCCLQZ-OAQYLSRUSA-N 2 0 324.468 3.766 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000815570825 1028566354 /nfs/dbraw/zinc/56/63/54/1028566354.db2.gz NDDWPTBJQNHPSO-APWZRJJASA-N 2 0 308.510 3.578 20 0 DHADRP CN(Cc1nc2ccccc2s1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565366264 1028579970 /nfs/dbraw/zinc/57/99/70/1028579970.db2.gz QYQCYBDJWCFASC-UHFFFAOYSA-N 2 0 323.465 3.574 20 0 DHADRP FC(F)(F)C1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000815647927 1028592181 /nfs/dbraw/zinc/59/21/81/1028592181.db2.gz YRHOZWBORIGCII-UHFFFAOYSA-N 2 0 306.416 3.963 20 0 DHADRP COc1cccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)CC2(C)C)c1 ZINC000528618186 1028607777 /nfs/dbraw/zinc/60/77/77/1028607777.db2.gz DLRSQESCPYJMKK-PKOBYXMFSA-N 2 0 316.489 3.605 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1cccs1 ZINC000370676279 1028635514 /nfs/dbraw/zinc/63/55/14/1028635514.db2.gz IVYBQAUWIIJTGN-VVLHAWIVSA-N 2 0 322.518 3.678 20 0 DHADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000565804374 1028635458 /nfs/dbraw/zinc/63/54/58/1028635458.db2.gz QMDAQFZFEDBHKO-WOUAJJJCSA-N 2 0 318.505 3.897 20 0 DHADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000566004110 1028664779 /nfs/dbraw/zinc/66/47/79/1028664779.db2.gz RNFLGGWNJVBOKC-HUUCEWRRSA-N 2 0 315.486 3.718 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccncc1 ZINC000371208911 1028676577 /nfs/dbraw/zinc/67/65/77/1028676577.db2.gz KDXIWXLHEZLQRF-JXXFODFXSA-N 2 0 309.457 3.567 20 0 DHADRP CCC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccncc2)CC1 ZINC000371202916 1028677757 /nfs/dbraw/zinc/67/77/57/1028677757.db2.gz OFPNOQFBTRIZGD-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccncc1 ZINC000371208909 1028678200 /nfs/dbraw/zinc/67/82/00/1028678200.db2.gz KDXIWXLHEZLQRF-GQIGUUNPSA-N 2 0 309.457 3.567 20 0 DHADRP CC1CCC([NH+]2CCC([N@H+](C)CCc3ccncc3)CC2)CC1 ZINC000371503231 1028724308 /nfs/dbraw/zinc/72/43/08/1028724308.db2.gz GUTLEZBDBDNJCV-UHFFFAOYSA-N 2 0 315.505 3.599 20 0 DHADRP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000449505966 1028727156 /nfs/dbraw/zinc/72/71/56/1028727156.db2.gz ZUDPPBPWCVCWRY-FXAWDEMLSA-N 2 0 322.537 3.824 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC000566571530 1028746286 /nfs/dbraw/zinc/74/62/86/1028746286.db2.gz DPVCDAOHDULQHQ-JKSUJKDBSA-N 2 0 307.441 3.654 20 0 DHADRP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000566683499 1028763896 /nfs/dbraw/zinc/76/38/96/1028763896.db2.gz KUZGXBXVRDDDHB-FQEVSTJZSA-N 2 0 310.416 3.809 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C3CC(OC(C)(C)C)C3)C2)CC1 ZINC000566760246 1028776974 /nfs/dbraw/zinc/77/69/74/1028776974.db2.gz JUUWHJXMLLNSPT-VIQWUECVSA-N 2 0 322.537 3.776 20 0 DHADRP CC1(C)SC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000566986512 1028815566 /nfs/dbraw/zinc/81/55/66/1028815566.db2.gz GECJQLSTVXAUCK-MHORFTMASA-N 2 0 316.514 3.666 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000567045726 1028825199 /nfs/dbraw/zinc/82/51/99/1028825199.db2.gz WADRTKFSNRPPAC-ZDUSSCGKSA-N 2 0 310.869 3.731 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000628190980 1028930227 /nfs/dbraw/zinc/93/02/27/1028930227.db2.gz WJEOUWJSNNAALO-YLJYHZDGSA-N 2 0 309.457 3.617 20 0 DHADRP C[C@]1(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCCS1 ZINC000628210050 1028941393 /nfs/dbraw/zinc/94/13/93/1028941393.db2.gz FGWYOAXHLBLFLP-QGZVFWFLSA-N 2 0 324.559 3.835 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000567899547 1028968368 /nfs/dbraw/zinc/96/83/68/1028968368.db2.gz DLMJKWNWGULXIJ-GFCCVEGCSA-N 2 0 306.356 3.598 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000567894870 1028970614 /nfs/dbraw/zinc/97/06/14/1028970614.db2.gz ZRZHOJJGKBBNAP-CYBMUJFWSA-N 2 0 322.374 3.885 20 0 DHADRP CC(C)[N@H+](Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688025008 1028985077 /nfs/dbraw/zinc/98/50/77/1028985077.db2.gz MGTVXLPEABSEMV-UHFFFAOYSA-N 2 0 306.500 3.866 20 0 DHADRP Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000628353047 1029012913 /nfs/dbraw/zinc/01/29/13/1029012913.db2.gz FQXILYRYVATOAW-HKUYNNGSSA-N 2 0 300.490 3.810 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CCCCC1 ZINC000373383179 1029027933 /nfs/dbraw/zinc/02/79/33/1029027933.db2.gz JNEXXKIBAMQYJW-SNRMKQJTSA-N 2 0 301.478 3.633 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000568249497 1029031730 /nfs/dbraw/zinc/03/17/30/1029031730.db2.gz RYORBBJOLUVMPS-JKSUJKDBSA-N 2 0 304.503 3.951 20 0 DHADRP Cc1sc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc1-c1ccccc1 ZINC000568248226 1029033352 /nfs/dbraw/zinc/03/33/52/1029033352.db2.gz KVTFNMHXBWQNCZ-JKSUJKDBSA-N 2 0 315.486 3.521 20 0 DHADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CCCc2cncn2C)cc1 ZINC000568410414 1029064668 /nfs/dbraw/zinc/06/46/68/1029064668.db2.gz LVDYDJIZUYINFN-IBGZPJMESA-N 2 0 313.445 3.589 20 0 DHADRP Cc1nc2c(s1)CCC[C@@H]2C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000373540694 1029075540 /nfs/dbraw/zinc/07/55/40/1029075540.db2.gz ZQSJKMYJAWOUQA-CQSZACIVSA-N 2 0 321.534 3.724 20 0 DHADRP COC1CCC(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000925223916 1029076375 /nfs/dbraw/zinc/07/63/75/1029076375.db2.gz JRRYKDIFIFKGCU-MDCZIUGASA-N 2 0 304.478 3.604 20 0 DHADRP Cc1ccc2ncc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000411290586 1029095072 /nfs/dbraw/zinc/09/50/72/1029095072.db2.gz JBLSLMZFFHPSNQ-HXUWFJFHSA-N 2 0 323.484 3.994 20 0 DHADRP Cc1cncc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000373663086 1029107898 /nfs/dbraw/zinc/10/78/98/1029107898.db2.gz OETLCATZASJESP-NRFANRHFSA-N 2 0 323.484 3.877 20 0 DHADRP C[C@@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568733447 1029119358 /nfs/dbraw/zinc/11/93/58/1029119358.db2.gz QAKJJJFOHAUXPV-BBPFYFEFSA-N 2 0 304.453 3.830 20 0 DHADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170861691 1029124852 /nfs/dbraw/zinc/12/48/52/1029124852.db2.gz OKZMZWIGHSSOCO-NZSAHSFTSA-N 2 0 316.489 3.649 20 0 DHADRP CCCCCC(CCCCC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001257549729 1029160893 /nfs/dbraw/zinc/16/08/93/1029160893.db2.gz CUNULPBJFUKDCE-UHFFFAOYSA-N 2 0 312.542 3.810 20 0 DHADRP Cc1cccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000569211521 1029196308 /nfs/dbraw/zinc/19/63/08/1029196308.db2.gz RBXSYFOXBIOLKS-FQEVSTJZSA-N 2 0 312.432 3.813 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccc(F)c(F)c2)C[C@H]1C ZINC000569291099 1029212157 /nfs/dbraw/zinc/21/21/57/1029212157.db2.gz SEUNQLCFCZPZNK-ZRBYZBAOSA-N 2 0 308.416 3.783 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1)c1cccc(O)c1 ZINC000374208789 1029241359 /nfs/dbraw/zinc/24/13/59/1029241359.db2.gz DZPOXEMMRBRBGA-JOQOYGCGSA-N 2 0 316.470 3.797 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000569677784 1029247171 /nfs/dbraw/zinc/24/71/71/1029247171.db2.gz GCBUTQGYSARACK-JKIFEVAISA-N 2 0 302.487 3.762 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817927210 1029268039 /nfs/dbraw/zinc/26/80/39/1029268039.db2.gz ZMAFTWOPPZUGBS-YGOYTEALSA-N 2 0 303.233 3.532 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817927208 1029270066 /nfs/dbraw/zinc/27/00/66/1029270066.db2.gz ZMAFTWOPPZUGBS-HOTUBEGUSA-N 2 0 303.233 3.532 20 0 DHADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817902013 1029272058 /nfs/dbraw/zinc/27/20/58/1029272058.db2.gz GPZUECHSSZZUJL-GUDVDZBRSA-N 2 0 315.505 3.543 20 0 DHADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569847402 1029272245 /nfs/dbraw/zinc/27/22/45/1029272245.db2.gz TXBDKEKDWGAJRY-WMZOPIPTSA-N 2 0 324.468 3.588 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817924927 1029279925 /nfs/dbraw/zinc/27/99/25/1029279925.db2.gz MRTPFGMYQHKHCB-HKBOAZHASA-N 2 0 324.468 3.637 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950654 1029290985 /nfs/dbraw/zinc/29/09/85/1029290985.db2.gz ZHCQDWYPCNXEFW-CQSZACIVSA-N 2 0 318.411 3.577 20 0 DHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817948856 1029291937 /nfs/dbraw/zinc/29/19/37/1029291937.db2.gz LUWVREZGKDIBAQ-FQEVSTJZSA-N 2 0 324.468 3.808 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817970339 1029310221 /nfs/dbraw/zinc/31/02/21/1029310221.db2.gz ROKRABDXPFEAIK-UHTWSYAYSA-N 2 0 300.418 3.922 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817975754 1029315108 /nfs/dbraw/zinc/31/51/08/1029315108.db2.gz AYRBKPURBJLBKG-VHSXEESVSA-N 2 0 304.265 3.744 20 0 DHADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC000817979737 1029316731 /nfs/dbraw/zinc/31/67/31/1029316731.db2.gz DRZMBLDEZBPUSG-MSOLQXFVSA-N 2 0 302.462 3.585 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000817979632 1029318105 /nfs/dbraw/zinc/31/81/05/1029318105.db2.gz CCOKIPAPHOECKM-ZFWWWQNUSA-N 2 0 310.869 3.840 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817981720 1029321017 /nfs/dbraw/zinc/32/10/17/1029321017.db2.gz NEEYTFJULQQNLL-DMDPSCGWSA-N 2 0 300.418 3.779 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCCO2 ZINC000817985522 1029324139 /nfs/dbraw/zinc/32/41/39/1029324139.db2.gz LLHIAPDKSREARC-MSOLQXFVSA-N 2 0 314.473 3.727 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000570266235 1029341512 /nfs/dbraw/zinc/34/15/12/1029341512.db2.gz PCRKCLRTIPOAFY-UHFFFAOYSA-N 2 0 302.849 3.734 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000629525188 1029358421 /nfs/dbraw/zinc/35/84/21/1029358421.db2.gz WNFYUGCOJNBRTQ-KZNAEPCWSA-N 2 0 315.505 3.568 20 0 DHADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cc2c(ccc3ccccc23)o1 ZINC000629541250 1029360452 /nfs/dbraw/zinc/36/04/52/1029360452.db2.gz YPEHQGUDTNYLNP-AWEZNQCLSA-N 2 0 312.413 3.602 20 0 DHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000629533079 1029362070 /nfs/dbraw/zinc/36/20/70/1029362070.db2.gz GRYSIGOTCSWZSX-HXUWFJFHSA-N 2 0 315.505 3.731 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629543792 1029363302 /nfs/dbraw/zinc/36/33/02/1029363302.db2.gz BLONBQVULBRGAC-NSHDSACASA-N 2 0 311.832 3.610 20 0 DHADRP Fc1ccc([C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1F ZINC000629550514 1029365056 /nfs/dbraw/zinc/36/50/56/1029365056.db2.gz OBCXDZXBSFGWNQ-INIZCTEOSA-N 2 0 308.416 3.534 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000629547593 1029365320 /nfs/dbraw/zinc/36/53/20/1029365320.db2.gz USMWSMLFVMRTPE-IBGZPJMESA-N 2 0 315.505 3.725 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629546065 1029365811 /nfs/dbraw/zinc/36/58/11/1029365811.db2.gz FRKBSBPJKQKTJZ-LYOVBCGYSA-N 2 0 305.853 3.914 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000629551600 1029367754 /nfs/dbraw/zinc/36/77/54/1029367754.db2.gz WERNXZJYPSTNFJ-HZSPNIEDSA-N 2 0 304.400 3.619 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000629561045 1029372763 /nfs/dbraw/zinc/37/27/63/1029372763.db2.gz GMTNMNFFDZOFOV-HUUCEWRRSA-N 2 0 306.416 3.806 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000629650186 1029404214 /nfs/dbraw/zinc/40/42/14/1029404214.db2.gz QHXKCYSXRZEKGH-YCPHGPKFSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550715 1029407313 /nfs/dbraw/zinc/40/73/13/1029407313.db2.gz PKCFZNSTSXBOLJ-WMLDXEAASA-N 2 0 308.416 3.674 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000570727523 1029411095 /nfs/dbraw/zinc/41/10/95/1029411095.db2.gz XUNXFPUCJASKTN-QYZOEREBSA-N 2 0 300.490 3.718 20 0 DHADRP C[NH2+][C@@H](CO)c1cccc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)c1 ZINC000629702892 1029429894 /nfs/dbraw/zinc/42/98/94/1029429894.db2.gz VYWYXJGBWPWZNF-KKSFZXQISA-N 2 0 324.468 3.591 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3s2)C1 ZINC000571007100 1029443329 /nfs/dbraw/zinc/44/33/29/1029443329.db2.gz XRSPBWOECBODSW-RDJZCZTQSA-N 2 0 300.471 3.817 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCc2cscn2)CC1)CC1CC1 ZINC000450647566 1029592735 /nfs/dbraw/zinc/59/27/35/1029592735.db2.gz GRZFWGPEGQRHSY-UHFFFAOYSA-N 2 0 321.534 3.520 20 0 DHADRP Clc1cccc2c1C[C@H]([NH+]1CCC(n3ccnc3)CC1)CC2 ZINC001170944486 1029694252 /nfs/dbraw/zinc/69/42/52/1029694252.db2.gz QAERJFVALPKUCZ-MRXNPFEDSA-N 2 0 315.848 3.731 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000390775686 1029705308 /nfs/dbraw/zinc/70/53/08/1029705308.db2.gz MVIKKZJOOBIWIO-SFHVURJKSA-N 2 0 314.498 3.977 20 0 DHADRP CC(C)(C)OCC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390918158 1029719226 /nfs/dbraw/zinc/71/92/26/1029719226.db2.gz FTEIREHBXZYLSF-SFHVURJKSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)(C)OCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390918157 1029720501 /nfs/dbraw/zinc/72/05/01/1029720501.db2.gz FTEIREHBXZYLSF-GOSISDBHSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820806585 1029768334 /nfs/dbraw/zinc/76/83/34/1029768334.db2.gz LPMLMLBLVUPBOR-QGZVFWFLSA-N 2 0 317.521 3.519 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820810836 1029769873 /nfs/dbraw/zinc/76/98/73/1029769873.db2.gz GAEGLENKEZOMHB-STQMWFEESA-N 2 0 301.434 3.765 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170955056 1029785718 /nfs/dbraw/zinc/78/57/18/1029785718.db2.gz DCGFWKIOZRCXDE-NVXWUHKLSA-N 2 0 304.453 3.537 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000392184794 1029807265 /nfs/dbraw/zinc/80/72/65/1029807265.db2.gz CGWTXMSRGCAXRP-NRFANRHFSA-N 2 0 306.453 3.822 20 0 DHADRP CCCOc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000530495329 1029864058 /nfs/dbraw/zinc/86/40/58/1029864058.db2.gz ZDRLBMDQJTYQCO-UHFFFAOYSA-N 2 0 302.462 3.536 20 0 DHADRP CCOC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000530546212 1029885475 /nfs/dbraw/zinc/88/54/75/1029885475.db2.gz YZSGNASEPBJGEI-SXLOBPIMSA-N 2 0 318.505 3.548 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170973497 1029898078 /nfs/dbraw/zinc/89/80/78/1029898078.db2.gz RVRMMRWYHXELQD-KZNAEPCWSA-N 2 0 316.464 3.665 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001170978351 1029947855 /nfs/dbraw/zinc/94/78/55/1029947855.db2.gz UUWCYLYGUIZCGI-RDJZCZTQSA-N 2 0 304.453 3.524 20 0 DHADRP CCOc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1F ZINC000865765219 1030013410 /nfs/dbraw/zinc/01/34/10/1030013410.db2.gz LMJJECJIPIRCJP-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000865765240 1030015185 /nfs/dbraw/zinc/01/51/85/1030015185.db2.gz MONSTBIVJIGSRF-UHFFFAOYSA-N 2 0 307.507 3.763 20 0 DHADRP Cc1nc2ccc(C[NH2+]C3CCC(C)([NH+](C)C)CC3)cc2s1 ZINC000865765302 1030015253 /nfs/dbraw/zinc/01/52/53/1030015253.db2.gz PUROQLXXUIYYMK-UHFFFAOYSA-N 2 0 317.502 3.957 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccsc2)(c2ccccc2)CC1 ZINC000865773457 1030017917 /nfs/dbraw/zinc/01/79/17/1030017917.db2.gz AACWDKNPGJRZOX-UHFFFAOYSA-N 2 0 300.471 3.501 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1(C)C ZINC000865833589 1030050393 /nfs/dbraw/zinc/05/03/93/1030050393.db2.gz JZHWGQFJUBQPNK-OALUTQOASA-N 2 0 315.505 3.645 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822582305 1030056308 /nfs/dbraw/zinc/05/63/08/1030056308.db2.gz BDWUGNYFONHLKN-CQSZACIVSA-N 2 0 307.309 3.624 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000530953220 1030100224 /nfs/dbraw/zinc/10/02/24/1030100224.db2.gz VHJDNPSVWYOOSY-ZWKOTPCHSA-N 2 0 314.477 3.553 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000822841713 1030142365 /nfs/dbraw/zinc/14/23/65/1030142365.db2.gz OLDCKUVQJILQLS-MELADBBJSA-N 2 0 319.320 3.813 20 0 DHADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866224945 1030167224 /nfs/dbraw/zinc/16/72/24/1030167224.db2.gz JYQAOUMOAIJWBJ-LBPRGKRZSA-N 2 0 309.841 3.862 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000866233719 1030171392 /nfs/dbraw/zinc/17/13/92/1030171392.db2.gz HSLZZUCZNVSFNH-CEXWTWQISA-N 2 0 317.521 3.750 20 0 DHADRP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000866239471 1030173099 /nfs/dbraw/zinc/17/30/99/1030173099.db2.gz XIPHHDSWEJVYNH-VVHMCBODSA-N 2 0 302.437 3.666 20 0 DHADRP C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924760338 1030179140 /nfs/dbraw/zinc/17/91/40/1030179140.db2.gz BDELPKNMHFVQOD-HZPDHXFCSA-N 2 0 312.457 3.652 20 0 DHADRP C1CC([C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H]2CCCO2)C1 ZINC000866281420 1030201914 /nfs/dbraw/zinc/20/19/14/1030201914.db2.gz HUVNEELEROAACG-NTFDOXNWSA-N 2 0 320.521 3.721 20 0 DHADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C1CCCCC1 ZINC000924898565 1030222941 /nfs/dbraw/zinc/22/29/41/1030222941.db2.gz VTYVIXYPPBNMTR-XVLXNVKGSA-N 2 0 308.510 3.577 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(O)cc(F)c2)c1 ZINC000924960001 1030234348 /nfs/dbraw/zinc/23/43/48/1030234348.db2.gz QSOVUMKFGHKBND-AWEZNQCLSA-N 2 0 316.420 3.834 20 0 DHADRP Cc1noc(C)c1[C@@H](C)[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924956574 1030235933 /nfs/dbraw/zinc/23/59/33/1030235933.db2.gz IRZGDONKIBPOIR-OAHLLOKOSA-N 2 0 307.482 3.988 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000866338255 1030239971 /nfs/dbraw/zinc/23/99/71/1030239971.db2.gz YYRQUGNIYYXAJV-ZIFCJYIRSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000358017566 1030280839 /nfs/dbraw/zinc/28/08/39/1030280839.db2.gz HNDRBCZMZNRDDH-BRWVUGGUSA-N 2 0 316.489 3.574 20 0 DHADRP CSc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000358037586 1030291664 /nfs/dbraw/zinc/29/16/64/1030291664.db2.gz RFZJKSCXQQDSCN-CRAIPNDOSA-N 2 0 316.514 3.857 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000925200844 1030301214 /nfs/dbraw/zinc/30/12/14/1030301214.db2.gz BTZGFTHPGCIFGI-QZTJIDSGSA-N 2 0 311.473 3.513 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000866451763 1030301664 /nfs/dbraw/zinc/30/16/64/1030301664.db2.gz XVQCPQYFRIAOPB-NUUXYWTLSA-N 2 0 308.510 3.575 20 0 DHADRP COc1ccnc([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000925207991 1030306578 /nfs/dbraw/zinc/30/65/78/1030306578.db2.gz RRGNMRJWYWBDBO-HNNXBMFYSA-N 2 0 317.477 3.538 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000866467256 1030307179 /nfs/dbraw/zinc/30/71/79/1030307179.db2.gz BGJAYUBLQIVIBW-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP COCCC[C@@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866470468 1030309927 /nfs/dbraw/zinc/30/99/27/1030309927.db2.gz UOIKUZRYSNUNAQ-GOSISDBHSA-N 2 0 318.505 3.693 20 0 DHADRP C1CC1[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000925229870 1030310162 /nfs/dbraw/zinc/31/01/62/1030310162.db2.gz QJORKIIHVQMHGM-FVELJTHGSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866478032 1030312798 /nfs/dbraw/zinc/31/27/98/1030312798.db2.gz DJABGEXBMRRFIH-YJBOKZPZSA-N 2 0 322.518 3.563 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000358086144 1030320473 /nfs/dbraw/zinc/32/04/73/1030320473.db2.gz OLPQKTNNRDPPLU-CHWSQXEVSA-N 2 0 303.475 3.729 20 0 DHADRP [NH3+]CCC1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171021392 1030334823 /nfs/dbraw/zinc/33/48/23/1030334823.db2.gz CGMXOHIZKZFURD-AVVWSFFYSA-N 2 0 306.881 3.695 20 0 DHADRP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccnn1C1CCC1 ZINC000925309142 1030338920 /nfs/dbraw/zinc/33/89/20/1030338920.db2.gz WMFHSNQGHGMNMY-AWEZNQCLSA-N 2 0 304.482 3.522 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C(F)F)nc1 ZINC000866516551 1030342872 /nfs/dbraw/zinc/34/28/72/1030342872.db2.gz BVVQIIIPQUCINW-RFSCMCKOSA-N 2 0 311.420 3.933 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000866517773 1030342919 /nfs/dbraw/zinc/34/29/19/1030342919.db2.gz MNZILIJQOMBNIZ-LXPRWKDFSA-N 2 0 305.441 3.524 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517818 1030343066 /nfs/dbraw/zinc/34/30/66/1030343066.db2.gz ODNLHNQQFSJZOS-LWGFOQHQSA-N 2 0 320.452 3.674 20 0 DHADRP Clc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001171021517 1030345837 /nfs/dbraw/zinc/34/58/37/1030345837.db2.gz FYWREGCWJTXRGO-KRWDZBQOSA-N 2 0 318.892 3.661 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000925477635 1030373397 /nfs/dbraw/zinc/37/33/97/1030373397.db2.gz FQNNPZQZQWIDQL-RTBURBONSA-N 2 0 318.505 3.522 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(-c2ccncc2)cc1 ZINC000925525160 1030387948 /nfs/dbraw/zinc/38/79/48/1030387948.db2.gz ALRLBAYHXXBOHY-JVPBZIDWSA-N 2 0 307.441 3.669 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cs1 ZINC000925564239 1030403941 /nfs/dbraw/zinc/40/39/41/1030403941.db2.gz HXBFATOVGALVTA-DLBZAZTESA-N 2 0 321.534 3.567 20 0 DHADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000925631393 1030427504 /nfs/dbraw/zinc/42/75/04/1030427504.db2.gz XZQMFOXSSOLVEP-OTWHNJEPSA-N 2 0 304.478 3.650 20 0 DHADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C1 ZINC000925633313 1030427586 /nfs/dbraw/zinc/42/75/86/1030427586.db2.gz FDDZLFYXKPBBNM-ZWKOTPCHSA-N 2 0 316.489 3.622 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](c3ccc(Cl)cc3)C1)[NH2+]2 ZINC000925653915 1030439799 /nfs/dbraw/zinc/43/97/99/1030439799.db2.gz CBLHFKLCMJJWBL-SBLOQVJPSA-N 2 0 304.865 3.705 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925653958 1030440876 /nfs/dbraw/zinc/44/08/76/1030440876.db2.gz CWTBWHQDKICSMF-KFKAGJAMSA-N 2 0 318.505 3.993 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccccc1 ZINC000925661470 1030445945 /nfs/dbraw/zinc/44/59/45/1030445945.db2.gz UYVNLMLZRQLVTF-IBGZPJMESA-N 2 0 307.441 3.780 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccccc1 ZINC000925701644 1030457298 /nfs/dbraw/zinc/45/72/98/1030457298.db2.gz CQLYWQSLHVTZRT-PMACEKPBSA-N 2 0 323.484 3.873 20 0 DHADRP C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000925703101 1030458325 /nfs/dbraw/zinc/45/83/25/1030458325.db2.gz CCCKDFKPIJINHS-DLBZAZTESA-N 2 0 318.505 3.588 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925733142 1030470060 /nfs/dbraw/zinc/47/00/60/1030470060.db2.gz SXHGGXMRUSEILX-CYZMBNFOSA-N 2 0 315.383 3.657 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])sc1Br ZINC000925736599 1030472555 /nfs/dbraw/zinc/47/25/55/1030472555.db2.gz BYKPVFBQRNLDFX-SECBINFHSA-N 2 0 305.285 3.597 20 0 DHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000925742919 1030474282 /nfs/dbraw/zinc/47/42/82/1030474282.db2.gz YUHMXCMFDRUVOF-GDBMZVCRSA-N 2 0 308.441 3.578 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000925742922 1030474574 /nfs/dbraw/zinc/47/45/74/1030474574.db2.gz YUHMXCMFDRUVOF-HOCLYGCPSA-N 2 0 308.441 3.578 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000925757610 1030483031 /nfs/dbraw/zinc/48/30/31/1030483031.db2.gz UOLMDSISZOXURX-LBPRGKRZSA-N 2 0 300.368 3.970 20 0 DHADRP COc1cccc2c1OCCC[C@@H]2N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925765068 1030487927 /nfs/dbraw/zinc/48/79/27/1030487927.db2.gz DHAWMPIKZLGCNY-FGTMMUONSA-N 2 0 324.424 3.643 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000558245469 1030495866 /nfs/dbraw/zinc/49/58/66/1030495866.db2.gz IQFGOLILNUOQCR-DGXTUMSLSA-N 2 0 318.427 3.818 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000925798026 1030500779 /nfs/dbraw/zinc/50/07/79/1030500779.db2.gz KCPNJIOOGXBUBP-GQIGUUNPSA-N 2 0 309.457 3.645 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3ncccc3c2)c2ccccc21 ZINC000925814688 1030506047 /nfs/dbraw/zinc/50/60/47/1030506047.db2.gz OJZFTBJOKACNFO-AZUAARDMSA-N 2 0 303.409 3.512 20 0 DHADRP CCC1(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCOCC1 ZINC000358486384 1030506506 /nfs/dbraw/zinc/50/65/06/1030506506.db2.gz XAQDJXBEVAJJIO-UHFFFAOYSA-N 2 0 318.505 3.823 20 0 DHADRP c1cnc2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000925815712 1030510349 /nfs/dbraw/zinc/51/03/49/1030510349.db2.gz YSVPZMVPKFIIKW-SESVDKBCSA-N 2 0 323.484 3.678 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838545 1030514297 /nfs/dbraw/zinc/51/42/97/1030514297.db2.gz NETLXQVPLWGINA-DZJNRPSUSA-N 2 0 322.443 3.936 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCCO2 ZINC000925875018 1030529090 /nfs/dbraw/zinc/52/90/90/1030529090.db2.gz BPAOFVPPCGPRFK-DVOMOZLQSA-N 2 0 308.853 3.579 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875520 1030530437 /nfs/dbraw/zinc/53/04/37/1030530437.db2.gz JTOIGFBPWACQMO-RQJABVFESA-N 2 0 303.475 3.505 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880104 1030531341 /nfs/dbraw/zinc/53/13/41/1030531341.db2.gz OCAMOERFJJSJND-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925882679 1030533713 /nfs/dbraw/zinc/53/37/13/1030533713.db2.gz PPCXJYPWUXDMBJ-VUBSUSDNSA-N 2 0 316.489 3.827 20 0 DHADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925886574 1030533852 /nfs/dbraw/zinc/53/38/52/1030533852.db2.gz IGXCLXOAWIFZAO-CWRNSKLLSA-N 2 0 314.395 3.756 20 0 DHADRP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358670181 1030582263 /nfs/dbraw/zinc/58/22/63/1030582263.db2.gz VKYTXZDFRHJDML-FUHIMQAGSA-N 2 0 315.505 3.645 20 0 DHADRP CSC1(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000558508610 1030612532 /nfs/dbraw/zinc/61/25/32/1030612532.db2.gz XCYDUGGFVANWCX-HOTGVXAUSA-N 2 0 306.519 3.596 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926453741 1030744339 /nfs/dbraw/zinc/74/43/39/1030744339.db2.gz USAZTERRHZDGNE-GYMWCJPTSA-N 2 0 316.489 3.585 20 0 DHADRP Clc1ccnc2c1CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486245 1030758253 /nfs/dbraw/zinc/75/82/53/1030758253.db2.gz FLEVZCCRCLISPM-KRWDZBQOSA-N 2 0 321.896 3.968 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926543905 1030788537 /nfs/dbraw/zinc/78/85/37/1030788537.db2.gz YSSLSPMIXCXTEO-MIGBEJBISA-N 2 0 318.530 3.944 20 0 DHADRP CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000926582939 1030809300 /nfs/dbraw/zinc/80/93/00/1030809300.db2.gz RHXLHFASAKPYRE-CLCXKQKWSA-N 2 0 304.478 3.602 20 0 DHADRP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926674455 1030855613 /nfs/dbraw/zinc/85/56/13/1030855613.db2.gz FLZPEKUIEFFGKF-RTBURBONSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171093791 1030866069 /nfs/dbraw/zinc/86/60/69/1030866069.db2.gz IIGTWOIDIMOJHH-LJQANCHMSA-N 2 0 320.908 3.907 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000359324396 1030908174 /nfs/dbraw/zinc/90/81/74/1030908174.db2.gz RJHCJNXUYWEEIC-PKOBYXMFSA-N 2 0 322.468 3.532 20 0 DHADRP c1coc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000252802634 1030926641 /nfs/dbraw/zinc/92/66/41/1030926641.db2.gz PJFVUULDQSPXHT-UYAOXDASSA-N 2 0 310.441 3.766 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000161662301 1030932839 /nfs/dbraw/zinc/93/28/39/1030932839.db2.gz CNQPGLPIMXZDKF-HXUWFJFHSA-N 2 0 300.490 3.780 20 0 DHADRP CC[NH+](CC)CCCNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000359375842 1030935228 /nfs/dbraw/zinc/93/52/28/1030935228.db2.gz GEIQBWUMUARURC-UHFFFAOYSA-N 2 0 305.397 3.526 20 0 DHADRP CC(C)OC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000926828801 1030944785 /nfs/dbraw/zinc/94/47/85/1030944785.db2.gz KERQPXGTMXIJHM-MRXNPFEDSA-N 2 0 304.478 3.747 20 0 DHADRP Cn1cccc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000161850553 1030951278 /nfs/dbraw/zinc/95/12/78/1030951278.db2.gz YSRGQZGQPLIQBO-UHFFFAOYSA-N 2 0 311.473 3.691 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@]12CCCO2)c1cccc(C[NH+](C)C)c1 ZINC000926863148 1030959043 /nfs/dbraw/zinc/95/90/43/1030959043.db2.gz ZODOEWNIVAJCLT-SNRMKQJTSA-N 2 0 302.462 3.501 20 0 DHADRP C[C@H](c1ccccn1)[NH+](C)C/C=C\C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000255282545 1030987333 /nfs/dbraw/zinc/98/73/33/1030987333.db2.gz OZOWJCZUYZHANI-ZWHYWQQASA-N 2 0 324.472 3.719 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926945891 1031011311 /nfs/dbraw/zinc/01/13/11/1031011311.db2.gz QLGRSQGYIXCCDO-FGZQJIAISA-N 2 0 304.400 3.572 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000897536636 1031019603 /nfs/dbraw/zinc/01/96/03/1031019603.db2.gz NNEUYKRSBFOSMU-ZULIPRJHSA-N 2 0 322.537 3.560 20 0 DHADRP Cc1c[nH+]ccc1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000359562720 1031033530 /nfs/dbraw/zinc/03/35/30/1031033530.db2.gz GYVPDMYFESOJJS-INIZCTEOSA-N 2 0 323.362 3.546 20 0 DHADRP CC(C)C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CCOCC1 ZINC000927036878 1031047063 /nfs/dbraw/zinc/04/70/63/1031047063.db2.gz KETPQBIJJNRKPK-GPJFCIFZSA-N 2 0 322.537 3.824 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039873 1031048230 /nfs/dbraw/zinc/04/82/30/1031048230.db2.gz WDGFYYSVVPYGEG-DMKPSLHHSA-N 2 0 301.478 3.702 20 0 DHADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593522 1031049941 /nfs/dbraw/zinc/04/99/41/1031049941.db2.gz RZTAEHGCRQGBNS-OXJNMPFZSA-N 2 0 309.457 3.884 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261796414 1031064234 /nfs/dbraw/zinc/06/42/34/1031064234.db2.gz VMYPMRFRZBIEPJ-HXUWFJFHSA-N 2 0 310.441 3.533 20 0 DHADRP Fc1ccc2c(c1)[C@H](NCCC[NH+]1CCCCC1)CCS2 ZINC000359619346 1031066087 /nfs/dbraw/zinc/06/60/87/1031066087.db2.gz MUFNJMITCAFINO-MRXNPFEDSA-N 2 0 308.466 3.828 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261807707 1031067008 /nfs/dbraw/zinc/06/70/08/1031067008.db2.gz OMMKVKDFUZUMGG-HXUWFJFHSA-N 2 0 310.441 3.533 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261807705 1031068786 /nfs/dbraw/zinc/06/87/86/1031068786.db2.gz OMMKVKDFUZUMGG-FQEVSTJZSA-N 2 0 310.441 3.533 20 0 DHADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)CCC2 ZINC000359639881 1031075806 /nfs/dbraw/zinc/07/58/06/1031075806.db2.gz TYGAPPJWZATQMH-WCQYABFASA-N 2 0 303.372 3.780 20 0 DHADRP Fc1ccc(CC[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000262017284 1031087156 /nfs/dbraw/zinc/08/71/56/1031087156.db2.gz VTOUSNLHPWQIRQ-KRWDZBQOSA-N 2 0 304.453 3.612 20 0 DHADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262009383 1031087673 /nfs/dbraw/zinc/08/76/73/1031087673.db2.gz UYZXQMFSCPVIID-KRWDZBQOSA-N 2 0 322.880 3.703 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CC2)CC1 ZINC000927164515 1031126646 /nfs/dbraw/zinc/12/66/46/1031126646.db2.gz XIAJXJWTLLZQLG-BHIYHBOVSA-N 2 0 320.521 3.721 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000359945875 1031211279 /nfs/dbraw/zinc/21/12/79/1031211279.db2.gz XZLCLPUJZSJHFS-IXDOHACOSA-N 2 0 304.478 3.574 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421843680 1031281737 /nfs/dbraw/zinc/28/17/37/1031281737.db2.gz REIUTRJXCLVAOV-SFHVURJKSA-N 2 0 320.452 3.607 20 0 DHADRP CC(C)(C)[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000925299385 1031297394 /nfs/dbraw/zinc/29/73/94/1031297394.db2.gz CDTGBLNPAGDRIE-GOSISDBHSA-N 2 0 301.478 3.712 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000872018304 1031400787 /nfs/dbraw/zinc/40/07/87/1031400787.db2.gz KEKWIMVBBBSUBK-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCOC1 ZINC000872019988 1031402501 /nfs/dbraw/zinc/40/25/01/1031402501.db2.gz BQQYEPNYBATZFU-PMACEKPBSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1N(C)C ZINC000536704151 1031408033 /nfs/dbraw/zinc/40/80/33/1031408033.db2.gz RJCDIAYDAJMXIF-ROUUACIJSA-N 2 0 317.521 3.915 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293304309 1031417880 /nfs/dbraw/zinc/41/78/80/1031417880.db2.gz HYJAXHGSGIPUAP-APWZRJJASA-N 2 0 322.468 3.613 20 0 DHADRP Fc1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)s2)cc1 ZINC000666855186 1031419527 /nfs/dbraw/zinc/41/95/27/1031419527.db2.gz CSXZACBBZSNNIH-HNNXBMFYSA-N 2 0 304.434 3.786 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CCCO2 ZINC000360433891 1031422813 /nfs/dbraw/zinc/42/28/13/1031422813.db2.gz PKYHTUTTYGRPFQ-FUHWJXTLSA-N 2 0 302.462 3.530 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872040744 1031425209 /nfs/dbraw/zinc/42/52/09/1031425209.db2.gz MVYUBCGQJFSSPJ-VQIMIIECSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872042638 1031428658 /nfs/dbraw/zinc/42/86/58/1031428658.db2.gz QSDJMUOKINRQIM-MKCYZYCBSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872051816 1031440407 /nfs/dbraw/zinc/44/04/07/1031440407.db2.gz KPWGXBFJJULEML-SQNIBIBYSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000536837453 1031448224 /nfs/dbraw/zinc/44/82/24/1031448224.db2.gz GOMPAWXZZOCMNL-RDJZCZTQSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000536846202 1031453243 /nfs/dbraw/zinc/45/32/43/1031453243.db2.gz REROCVUJVPNDOG-ZACQAIPSSA-N 2 0 300.490 3.914 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000536883158 1031467978 /nfs/dbraw/zinc/46/79/78/1031467978.db2.gz RDOCFJNJAFWLAS-YPMHNXCESA-N 2 0 301.261 3.608 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666857722 1031480498 /nfs/dbraw/zinc/48/04/98/1031480498.db2.gz GSMISFJXGIAEKE-YSIASYRMSA-N 2 0 316.489 3.842 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872090572 1031487802 /nfs/dbraw/zinc/48/78/02/1031487802.db2.gz CAYOGWYNZKUXRY-QZTJIDSGSA-N 2 0 310.526 3.680 20 0 DHADRP COCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000872105260 1031495837 /nfs/dbraw/zinc/49/58/37/1031495837.db2.gz FEPMFCGICXGAJZ-PKOBYXMFSA-N 2 0 318.505 3.549 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000872154958 1031534930 /nfs/dbraw/zinc/53/49/30/1031534930.db2.gz HENZSYROEWOTPA-UHFFFAOYSA-N 2 0 321.852 3.946 20 0 DHADRP c1cncc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000929507869 1031536141 /nfs/dbraw/zinc/53/61/41/1031536141.db2.gz ABRSXVLDYZTUCL-FQEVSTJZSA-N 2 0 315.505 3.602 20 0 DHADRP Cc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nc1 ZINC000872156942 1031536462 /nfs/dbraw/zinc/53/64/62/1031536462.db2.gz MMEKNMXWLNPPER-VQIMIIECSA-N 2 0 301.478 3.510 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)ccn1 ZINC000872156275 1031536775 /nfs/dbraw/zinc/53/67/75/1031536775.db2.gz HEWRNOBEFNEWRL-QFBILLFUSA-N 2 0 301.478 3.510 20 0 DHADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1)C1CCCC1 ZINC000872157496 1031539472 /nfs/dbraw/zinc/53/94/72/1031539472.db2.gz OZGAZKYVGBHEAJ-NZSAHSFTSA-N 2 0 308.510 3.565 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C12CCCC2 ZINC000537306111 1031562584 /nfs/dbraw/zinc/56/25/84/1031562584.db2.gz DXRYNYJUMMNEQW-GUDVDZBRSA-N 2 0 322.537 3.682 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCc2cccnc2)C1 ZINC000929642874 1031565793 /nfs/dbraw/zinc/56/57/93/1031565793.db2.gz BNWAYIRHCLWGKD-ICSRJNTNSA-N 2 0 315.505 3.601 20 0 DHADRP C[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C[NH+]1CCCCC1 ZINC000360837784 1031581017 /nfs/dbraw/zinc/58/10/17/1031581017.db2.gz RITFCNRBCDLMSR-VQIMIIECSA-N 2 0 301.478 3.634 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000537398846 1031588738 /nfs/dbraw/zinc/58/87/38/1031588738.db2.gz MDBCBEHSYVGFHT-MBOZVWFJSA-N 2 0 315.505 3.813 20 0 DHADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000360922151 1031625088 /nfs/dbraw/zinc/62/50/88/1031625088.db2.gz ZHOUIAPGGCTCIX-LTIDMASMSA-N 2 0 302.437 3.678 20 0 DHADRP C[C@@H](CCc1ccsc1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360956688 1031643086 /nfs/dbraw/zinc/64/30/86/1031643086.db2.gz VYZWBJVEXZPSCV-YESZJQIVSA-N 2 0 324.534 3.548 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H](C)C1 ZINC000930000397 1031672214 /nfs/dbraw/zinc/67/22/14/1031672214.db2.gz OUVNCVCRNOOJBI-XOYOTBSWSA-N 2 0 322.443 3.697 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3ncccc23)c1 ZINC000873043700 1031699345 /nfs/dbraw/zinc/69/93/45/1031699345.db2.gz RBGFTUATRRLVAC-UHFFFAOYSA-N 2 0 319.452 3.976 20 0 DHADRP Cc1cc(C)c(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c(C)c1 ZINC000873212262 1031760629 /nfs/dbraw/zinc/76/06/29/1031760629.db2.gz YGCBBDHUNGCZSW-UHFFFAOYSA-N 2 0 300.471 3.609 20 0 DHADRP CC[C@@](C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1nc(C)cs1 ZINC000873207210 1031760958 /nfs/dbraw/zinc/76/09/58/1031760958.db2.gz TVBSGAXWIPPNBO-MRXNPFEDSA-N 2 0 321.515 3.574 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(s1)CC[NH2+]C3)[C@H](C)C2 ZINC000873212624 1031761675 /nfs/dbraw/zinc/76/16/75/1031761675.db2.gz QGAVMETUXSOFOL-YJYMSZOUSA-N 2 0 312.482 3.725 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000873224457 1031764501 /nfs/dbraw/zinc/76/45/01/1031764501.db2.gz BZCQJDLGDKXXTL-RCCFBDPRSA-N 2 0 316.489 3.653 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000873232855 1031767344 /nfs/dbraw/zinc/76/73/44/1031767344.db2.gz ONPASLHVSQTXNE-INIZCTEOSA-N 2 0 324.415 3.690 20 0 DHADRP CCC(CC)(C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(F)(F)F ZINC000873247826 1031772670 /nfs/dbraw/zinc/77/26/70/1031772670.db2.gz UXQSUXMFTKMNNY-HIFRSBDPSA-N 2 0 316.411 3.903 20 0 DHADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253881 1031775246 /nfs/dbraw/zinc/77/52/46/1031775246.db2.gz GMPBVFPOIFCELK-HLIPFELVSA-N 2 0 324.468 3.962 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000873254266 1031775260 /nfs/dbraw/zinc/77/52/60/1031775260.db2.gz OWXAGVRWMCECFQ-HBMCJLEFSA-N 2 0 308.469 3.557 20 0 DHADRP CCC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000873254779 1031775877 /nfs/dbraw/zinc/77/58/77/1031775877.db2.gz AHKTXDXHJAJIHV-KCPJHIHWSA-N 2 0 300.368 3.874 20 0 DHADRP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259445 1031776311 /nfs/dbraw/zinc/77/63/11/1031776311.db2.gz FDEXUUULNVAFKQ-LVQVYYBASA-N 2 0 304.503 3.980 20 0 DHADRP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257587 1031777698 /nfs/dbraw/zinc/77/76/98/1031777698.db2.gz UJIRTUFECPQQPA-RAIGVLPGSA-N 2 0 319.449 3.646 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263868 1031778426 /nfs/dbraw/zinc/77/84/26/1031778426.db2.gz MDORITLHFRUKDI-LOUJCGABSA-N 2 0 320.864 3.674 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260286 1031779040 /nfs/dbraw/zinc/77/90/40/1031779040.db2.gz XJOIBGSWMUNSEV-MHEUCROKSA-N 2 0 307.507 3.756 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000873264575 1031779820 /nfs/dbraw/zinc/77/98/20/1031779820.db2.gz GMLZPDCVKMJEKW-VXGBXAGGSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C1CC[NH2+]CC1 ZINC000873267439 1031782265 /nfs/dbraw/zinc/78/22/65/1031782265.db2.gz CMQUEVJNEDBADT-KGLIPLIRSA-N 2 0 315.486 3.849 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000873271256 1031783981 /nfs/dbraw/zinc/78/39/81/1031783981.db2.gz GECRZEIBQAQVHT-HRAATJIYSA-N 2 0 324.468 3.762 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000873281499 1031787466 /nfs/dbraw/zinc/78/74/66/1031787466.db2.gz KALDCHVRSNGYRV-RWMBFGLXSA-N 2 0 318.408 3.777 20 0 DHADRP CC(C)C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873291349 1031788966 /nfs/dbraw/zinc/78/89/66/1031788966.db2.gz KBKFLAJVRISKHX-HOTGVXAUSA-N 2 0 322.518 3.584 20 0 DHADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([NH2+]Cc4ccccc4)CC3)C[C@@H]21 ZINC000930616149 1031891250 /nfs/dbraw/zinc/89/12/50/1031891250.db2.gz VZVPFOTYXUNBKA-XGWQRUHWSA-N 2 0 320.427 3.532 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1cccc(OC(F)(F)F)c1 ZINC000846219049 1031929974 /nfs/dbraw/zinc/92/99/74/1031929974.db2.gz DJJICGYCDBLJTR-UHFFFAOYSA-N 2 0 304.356 3.536 20 0 DHADRP [NH3+]CCCCCC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000846220329 1031932819 /nfs/dbraw/zinc/93/28/19/1031932819.db2.gz GCOOUUXRRUZDAV-UHFFFAOYSA-N 2 0 310.869 3.702 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000846219188 1031933886 /nfs/dbraw/zinc/93/38/86/1031933886.db2.gz JUHPPDLYBORWPJ-IAGOWNOFSA-N 2 0 324.534 3.935 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000772947467 1032036680 /nfs/dbraw/zinc/03/66/80/1032036680.db2.gz APQIKNZLJWNIBH-LJQANCHMSA-N 2 0 316.489 3.925 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044534137 1032054180 /nfs/dbraw/zinc/05/41/80/1032054180.db2.gz IYNDTNVUOSHBPF-NWDGAFQWSA-N 2 0 301.261 3.986 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CC(C)(C)OC(C)(C)C2)cc1 ZINC001172644203 1033302779 /nfs/dbraw/zinc/30/27/79/1033302779.db2.gz JVLKATQLKYXMKH-UHFFFAOYSA-N 2 0 304.478 3.574 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172652610 1033305813 /nfs/dbraw/zinc/30/58/13/1033305813.db2.gz BFXVQECRVDRBGX-UHFFFAOYSA-N 2 0 310.526 3.823 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172657521 1033306788 /nfs/dbraw/zinc/30/67/88/1033306788.db2.gz CRBFHWVXNGJXJP-UHFFFAOYSA-N 2 0 310.526 3.775 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccc(Br)c21 ZINC000643521532 1033331610 /nfs/dbraw/zinc/33/16/10/1033331610.db2.gz OKNQVIRBBGPBFS-XUJVJEKNSA-N 2 0 323.278 3.729 20 0 DHADRP C[C@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)CC(C)(C)CC[NH3+] ZINC001172715249 1033349351 /nfs/dbraw/zinc/34/93/51/1033349351.db2.gz GPVBSABULYXOSV-SUMWQHHRSA-N 2 0 308.897 3.798 20 0 DHADRP C[C@@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)CC(C)(C)CC[NH3+] ZINC001172715244 1033349436 /nfs/dbraw/zinc/34/94/36/1033349436.db2.gz GPVBSABULYXOSV-DYVFJYSZSA-N 2 0 308.897 3.798 20 0 DHADRP Cc1ccc(C2CC([NH2+]CC(C)(C)C[NH+]3CCCC3)C2)cc1 ZINC000477916910 1033373704 /nfs/dbraw/zinc/37/37/04/1033373704.db2.gz FZBVEMIJRXTVRF-UHFFFAOYSA-N 2 0 300.490 3.953 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCC[NH+]1CCCC1 ZINC001172838010 1033380433 /nfs/dbraw/zinc/38/04/33/1033380433.db2.gz QXIINDFOQIDCEW-CQSZACIVSA-N 2 0 312.860 3.876 20 0 DHADRP CN1CCC[C@@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824950 1033385452 /nfs/dbraw/zinc/38/54/52/1033385452.db2.gz LUVOTKQQBBAWBP-KOQKOIQBSA-N 2 0 312.501 3.814 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CC2 ZINC001172826915 1033391072 /nfs/dbraw/zinc/39/10/72/1033391072.db2.gz XZQFMBBVDMRNFE-OAQYLSRUSA-N 2 0 308.469 3.704 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H](C)Cc1c(F)cccc1Cl ZINC001172838454 1033406461 /nfs/dbraw/zinc/40/64/61/1033406461.db2.gz LBCXNUROXXXUNK-CYBMUJFWSA-N 2 0 300.849 3.732 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)CC2 ZINC001172838378 1033407507 /nfs/dbraw/zinc/40/75/07/1033407507.db2.gz OQZKMQDPQRMLDU-FXAWDEMLSA-N 2 0 300.490 3.693 20 0 DHADRP CC(C)[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccn1 ZINC000927040153 1033416842 /nfs/dbraw/zinc/41/68/42/1033416842.db2.gz XTEZXCPYJSUNIQ-AVAKVYKDSA-N 2 0 301.478 3.775 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001172846643 1033417129 /nfs/dbraw/zinc/41/71/29/1033417129.db2.gz WUWPFIFJCWDBRX-YIYPIFLZSA-N 2 0 310.844 3.625 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172855534 1033423750 /nfs/dbraw/zinc/42/37/50/1033423750.db2.gz FVIWIFHOPDHWGH-AWEZNQCLSA-N 2 0 324.871 3.828 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001172856417 1033426317 /nfs/dbraw/zinc/42/63/17/1033426317.db2.gz HNFOQQFKJBMRCC-DAXOMENPSA-N 2 0 312.860 3.873 20 0 DHADRP Cc1ccccc1[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000151250284 1033429244 /nfs/dbraw/zinc/42/92/44/1033429244.db2.gz KTQBHLJWIYMEDJ-GOSISDBHSA-N 2 0 316.489 3.633 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C[NH3+] ZINC001172861154 1033431804 /nfs/dbraw/zinc/43/18/04/1033431804.db2.gz PSWTXDCELCKUGP-GFCCVEGCSA-N 2 0 306.812 3.659 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001172884266 1033457644 /nfs/dbraw/zinc/45/76/44/1033457644.db2.gz ZZNNJZUTQBVCKF-CQSZACIVSA-N 2 0 324.921 3.848 20 0 DHADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H](C)c1nc2ccccc2s1 ZINC000643535598 1033468431 /nfs/dbraw/zinc/46/84/31/1033468431.db2.gz NOZFACTUKGCJGE-XEZPLFJOSA-N 2 0 315.486 3.520 20 0 DHADRP Cc1csc2sc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c(C)c12 ZINC001206185009 1033485836 /nfs/dbraw/zinc/48/58/36/1033485836.db2.gz KKWCLVDCJAQGAE-VXGBXAGGSA-N 2 0 312.479 3.841 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2COc3ccc(F)cc32)CC1 ZINC001173103225 1033541227 /nfs/dbraw/zinc/54/12/27/1033541227.db2.gz GBPMHTOWHJWIGK-DQPZFDDXSA-N 2 0 306.425 3.502 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC001173105771 1033542732 /nfs/dbraw/zinc/54/27/32/1033542732.db2.gz DXQFEGSDBPLBJJ-CTWPCTMYSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC1 ZINC001173106719 1033543108 /nfs/dbraw/zinc/54/31/08/1033543108.db2.gz QWBJMCNGWXQLGR-UHFFFAOYSA-N 3 0 321.553 3.623 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCc2cc(C)ccn2)CC1 ZINC001173104417 1033543130 /nfs/dbraw/zinc/54/31/30/1033543130.db2.gz OCVFMJXUYGGHNU-UHFFFAOYSA-N 2 0 303.494 3.565 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001173105555 1033543285 /nfs/dbraw/zinc/54/32/85/1033543285.db2.gz JVAOOGBYJJNQAK-UHFFFAOYSA-N 2 0 300.490 3.918 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000877988536 1033544487 /nfs/dbraw/zinc/54/44/87/1033544487.db2.gz HPRWQQGWOQASJP-WOJBJXKFSA-N 2 0 316.489 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC001173109683 1033544909 /nfs/dbraw/zinc/54/49/09/1033544909.db2.gz JKEWYJDLWAPURQ-UHFFFAOYSA-N 2 0 306.416 3.914 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000877988534 1033545527 /nfs/dbraw/zinc/54/55/27/1033545527.db2.gz HPRWQQGWOQASJP-UXHICEINSA-N 2 0 316.489 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCOc3cc(F)ccc32)CC1 ZINC001173106923 1033546085 /nfs/dbraw/zinc/54/60/85/1033546085.db2.gz GYSKOFSHAAZPSG-LEOMRAHMSA-N 2 0 320.452 3.892 20 0 DHADRP C([C@@H]1C[C@@H]2CCC[C@H]2O1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878050340 1033568528 /nfs/dbraw/zinc/56/85/28/1033568528.db2.gz UEFQZICBPZQTOV-LWYYNNOASA-N 2 0 320.521 3.532 20 0 DHADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000878119830 1033587060 /nfs/dbraw/zinc/58/70/60/1033587060.db2.gz CBYVIHFZUPNVFQ-SJORKVTESA-N 2 0 308.510 3.530 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@H]1C ZINC000878164019 1033602595 /nfs/dbraw/zinc/60/25/95/1033602595.db2.gz ZCFBTKYFTKCCSH-BTHPGYMESA-N 2 0 316.489 3.711 20 0 DHADRP C[N@H+](CCC[NH+]1CCCC1)C1CCC(Oc2ccccc2)CC1 ZINC001173204873 1033611786 /nfs/dbraw/zinc/61/17/86/1033611786.db2.gz XJHJBQQTRBCOLC-UHFFFAOYSA-N 2 0 316.489 3.794 20 0 DHADRP CCCC[C@@H](CC(C)C)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001173257595 1033631200 /nfs/dbraw/zinc/63/12/00/1033631200.db2.gz BFVUJGFJTQCTQE-FQEVSTJZSA-N 2 0 323.569 3.551 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000878258902 1033638540 /nfs/dbraw/zinc/63/85/40/1033638540.db2.gz WYBMLRBTBJIBIX-LEAZDLGRSA-N 2 0 316.489 3.569 20 0 DHADRP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3OC)CC2)C1 ZINC001173269723 1033639691 /nfs/dbraw/zinc/63/96/91/1033639691.db2.gz KTAPPINZGWAYEQ-WMZOPIPTSA-N 2 0 316.489 3.610 20 0 DHADRP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001173272252 1033643379 /nfs/dbraw/zinc/64/33/79/1033643379.db2.gz UJXZLWNSPVYCLB-RDJZCZTQSA-N 2 0 302.462 3.524 20 0 DHADRP CC[C@H]1CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173273056 1033643629 /nfs/dbraw/zinc/64/36/29/1033643629.db2.gz XTAUZRVOHTXWBJ-PBWTXFEYSA-N 2 0 301.478 3.732 20 0 DHADRP CCSC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001173292862 1033649883 /nfs/dbraw/zinc/64/98/83/1033649883.db2.gz RXRQMDVNVJSBFI-FUHWJXTLSA-N 2 0 306.519 3.630 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(C(F)(F)F)co3)C2)CC1 ZINC000878549580 1033748060 /nfs/dbraw/zinc/74/80/60/1033748060.db2.gz LNNHMUMMEUUXRM-UHFFFAOYSA-N 2 0 316.367 3.606 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)CN1C1CC1 ZINC000479430453 1033758543 /nfs/dbraw/zinc/75/85/43/1033758543.db2.gz XOTFPTFCTPCHLG-HIFRSBDPSA-N 2 0 308.416 3.502 20 0 DHADRP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001173547100 1033762574 /nfs/dbraw/zinc/76/25/74/1033762574.db2.gz OXWDPHMDSBJDLV-WKPIXPDZSA-N 2 0 301.261 3.784 20 0 DHADRP Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667503153 1033789056 /nfs/dbraw/zinc/78/90/56/1033789056.db2.gz AWNOELIVYLWDCY-HXUWFJFHSA-N 2 0 318.424 3.913 20 0 DHADRP Cc1c(C[NH2+]CCCCCCC[NH+]2CCCC2)ccnc1F ZINC000862276869 1033805722 /nfs/dbraw/zinc/80/57/22/1033805722.db2.gz GVWSQILUBMSZLZ-UHFFFAOYSA-N 2 0 307.457 3.665 20 0 DHADRP c1ccc2c(c1)CCC21CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC001173684523 1033819251 /nfs/dbraw/zinc/81/92/51/1033819251.db2.gz NVBOZJSNXSDQAS-UHFFFAOYSA-N 2 0 312.501 3.889 20 0 DHADRP CC(C)N1CC[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173684048 1033819390 /nfs/dbraw/zinc/81/93/90/1033819390.db2.gz AIQTWZFEGXQEKU-SCCNAQOGSA-N 2 0 312.501 3.886 20 0 DHADRP C[NH+](C)CCCC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173684945 1033827301 /nfs/dbraw/zinc/82/73/01/1033827301.db2.gz XDURCOSQNBIIJV-UHFFFAOYSA-N 2 0 300.490 3.745 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000174628254 1033945967 /nfs/dbraw/zinc/94/59/67/1033945967.db2.gz LEGRLERNIHGYDP-IUODEOHRSA-N 2 0 300.368 3.525 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000927123915 1033950202 /nfs/dbraw/zinc/95/02/02/1033950202.db2.gz DTIVZFYMWLNDSR-JLAWEPINSA-N 2 0 320.521 3.865 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nsc3ccccc31)CC2 ZINC000879251621 1033964958 /nfs/dbraw/zinc/96/49/58/1033964958.db2.gz ZLFIMKKLIQOZDZ-UHFFFAOYSA-N 2 0 315.486 3.604 20 0 DHADRP c1cc(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)cc[nH+]1 ZINC001173885018 1033969562 /nfs/dbraw/zinc/96/95/62/1033969562.db2.gz CWGRQBLMWHBHPV-FQEVSTJZSA-N 2 0 307.441 3.590 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546723 1034125640 /nfs/dbraw/zinc/12/56/40/1034125640.db2.gz NGXUIMDROZYJGT-GJZGRUSLSA-N 2 0 307.388 3.786 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000554406128 1034130165 /nfs/dbraw/zinc/13/01/65/1034130165.db2.gz NDLDPFNBNWGPFI-FKFRUQKQSA-N 2 0 318.427 3.960 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000863654491 1034162488 /nfs/dbraw/zinc/16/24/88/1034162488.db2.gz YBKCVFIZNYPREE-VDHUWJSZSA-N 2 0 304.865 3.838 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178032090 1034202131 /nfs/dbraw/zinc/20/21/31/1034202131.db2.gz ZNDKBUNXDMLCCY-VVBPWWLESA-N 2 0 324.534 3.585 20 0 DHADRP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c(C)c1 ZINC000667664319 1034206189 /nfs/dbraw/zinc/20/61/89/1034206189.db2.gz IIEPQYMDLYFUQZ-AEFFLSMTSA-N 2 0 304.478 3.698 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(C)c1 ZINC000667666948 1034224763 /nfs/dbraw/zinc/22/47/63/1034224763.db2.gz BVBNTLKNFZYUGZ-WMZOPIPTSA-N 2 0 304.478 3.698 20 0 DHADRP CC(C)[N@H+](C)CC(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001142590589 1034227501 /nfs/dbraw/zinc/22/75/01/1034227501.db2.gz HKDDNSATUNEMBA-UHFFFAOYSA-N 2 0 316.470 3.912 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000480386270 1034229006 /nfs/dbraw/zinc/22/90/06/1034229006.db2.gz SAWWCFKWBKKOQK-UHFFFAOYSA-N 2 0 316.489 3.687 20 0 DHADRP Cc1ccc(C[C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000554585448 1034230237 /nfs/dbraw/zinc/23/02/37/1034230237.db2.gz UABJSOSHVUCTMU-VQTJNVASSA-N 2 0 300.490 3.734 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249596649 1034249701 /nfs/dbraw/zinc/24/97/01/1034249701.db2.gz PVWWKTHTTXDLDY-DAYGRLMNSA-N 2 0 302.462 3.535 20 0 DHADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000249596650 1034249902 /nfs/dbraw/zinc/24/99/02/1034249902.db2.gz PVWWKTHTTXDLDY-MPGHIAIKSA-N 2 0 302.462 3.535 20 0 DHADRP FC[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](CF)C2)C1 ZINC000880235167 1034255459 /nfs/dbraw/zinc/25/54/59/1034255459.db2.gz KQGBRIGMNWEPNY-IRXDYDNUSA-N 2 0 302.453 3.520 20 0 DHADRP C[NH+]1CCC(Oc2ccc(Nc3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001174277573 1034272912 /nfs/dbraw/zinc/27/29/12/1034272912.db2.gz GEWADPXXLNSJFF-UHFFFAOYSA-N 2 0 322.412 3.551 20 0 DHADRP Cc1ccc2[nH+]c(N)n(C3=CCC[N@H+](Cc4ccccc4)C3)c2c1 ZINC001174392733 1034313748 /nfs/dbraw/zinc/31/37/48/1034313748.db2.gz JHNUTRAVTUMBKL-UHFFFAOYSA-N 2 0 318.424 3.674 20 0 DHADRP C[NH+](C)Cc1ccc(NC2=CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001174396156 1034322323 /nfs/dbraw/zinc/32/23/23/1034322323.db2.gz DXAOECQFDYCLLA-UHFFFAOYSA-N 2 0 321.468 3.950 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000179702248 1034328712 /nfs/dbraw/zinc/32/87/12/1034328712.db2.gz DIMVORWKFPEMAC-UHFFFAOYSA-N 2 0 317.502 3.850 20 0 DHADRP COc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000480604460 1034347337 /nfs/dbraw/zinc/34/73/37/1034347337.db2.gz ABNNHKVDHASOHP-DLBZAZTESA-N 2 0 304.478 3.858 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000480628776 1034349590 /nfs/dbraw/zinc/34/95/90/1034349590.db2.gz ZMMBYHRPXZMFRR-JXFKEZNVSA-N 2 0 316.489 3.927 20 0 DHADRP COC1(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCCC1 ZINC000480639522 1034368848 /nfs/dbraw/zinc/36/88/48/1034368848.db2.gz AAWDKQHLHQOSNM-UHFFFAOYSA-N 2 0 316.489 3.721 20 0 DHADRP CSC1(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000554862739 1034372031 /nfs/dbraw/zinc/37/20/31/1034372031.db2.gz QGGRZQCUOGHNJH-WMZOPIPTSA-N 2 0 318.530 3.772 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCCCC1 ZINC000480679186 1034397258 /nfs/dbraw/zinc/39/72/58/1034397258.db2.gz JFSKJVNIHLWCEX-IEBWSBKVSA-N 2 0 322.537 3.968 20 0 DHADRP Fc1cccc(CC2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000480753197 1034431818 /nfs/dbraw/zinc/43/18/18/1034431818.db2.gz ATWDTINXWLAGLJ-ROUUACIJSA-N 2 0 302.437 3.507 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000184341705 1034464525 /nfs/dbraw/zinc/46/45/25/1034464525.db2.gz QWSOOHTVLBKQGO-QUCCMNQESA-N 2 0 323.484 3.605 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000184382612 1034470253 /nfs/dbraw/zinc/47/02/53/1034470253.db2.gz OHSALVXZLACHPZ-KRWDZBQOSA-N 2 0 303.494 3.799 20 0 DHADRP Cc1cncc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000184382595 1034471158 /nfs/dbraw/zinc/47/11/58/1034471158.db2.gz OHSALVXZLACHPZ-QGZVFWFLSA-N 2 0 303.494 3.799 20 0 DHADRP CC(C)(C)C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629523525 1034485256 /nfs/dbraw/zinc/48/52/56/1034485256.db2.gz HZCQTJRCNGAWQK-MRXNPFEDSA-N 2 0 324.896 3.915 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480893775 1034499548 /nfs/dbraw/zinc/49/95/48/1034499548.db2.gz DNMLGPKOKULEPT-DLBZAZTESA-N 2 0 318.505 3.964 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)CCC2 ZINC000480913945 1034504730 /nfs/dbraw/zinc/50/47/30/1034504730.db2.gz YBVMHRZVWNUFSJ-LSDHHAIUSA-N 2 0 321.534 3.795 20 0 DHADRP CCC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCC(F)(F)CC1 ZINC001168365099 1034529597 /nfs/dbraw/zinc/52/95/97/1034529597.db2.gz LOKIMBIBSDVOCJ-UHFFFAOYSA-N 2 0 300.437 3.809 20 0 DHADRP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccnc1 ZINC000186142386 1034604270 /nfs/dbraw/zinc/60/42/70/1034604270.db2.gz DAGLARQGTHEEMD-MJGOQNOKSA-N 2 0 303.494 3.880 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186846608 1034667648 /nfs/dbraw/zinc/66/76/48/1034667648.db2.gz QDYNADIJCRNXBC-LUYZLQTOSA-N 2 0 314.395 3.651 20 0 DHADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CCO1 ZINC001174932968 1034693988 /nfs/dbraw/zinc/69/39/88/1034693988.db2.gz HZIPVMNVGBNHMW-ACBHZAAOSA-N 2 0 324.553 3.882 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187792613 1034732909 /nfs/dbraw/zinc/73/29/09/1034732909.db2.gz XTFHGEKTDQJLDZ-OAHLLOKOSA-N 2 0 324.896 3.534 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc2c(s1)CCC2 ZINC000481310079 1034735628 /nfs/dbraw/zinc/73/56/28/1034735628.db2.gz PLXKPHNLOHKRJY-ZDUSSCGKSA-N 2 0 304.503 3.762 20 0 DHADRP CSC1(C[NH2+]C[C@H](C)c2ccc(C)cc2)CC[NH+](C)CC1 ZINC000600166648 1034777064 /nfs/dbraw/zinc/77/70/64/1034777064.db2.gz YHPHCMYZSRQURT-INIZCTEOSA-N 2 0 306.519 3.516 20 0 DHADRP CC1([NH+]2CCCC2)CC[NH+](CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001175119297 1034824174 /nfs/dbraw/zinc/82/41/74/1034824174.db2.gz GEHOHONXXUXRIN-GOSISDBHSA-N 2 0 320.521 3.676 20 0 DHADRP Clc1cccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157563206 1034934526 /nfs/dbraw/zinc/93/45/26/1034934526.db2.gz DFSTWUDCDJORPA-XYQBIQKZSA-N 2 0 304.865 3.802 20 0 DHADRP Cc1ccc2[nH+]c(N)n(-c3ccc(C[NH+]4CCCCC4)cc3)c2c1 ZINC001175361674 1034951117 /nfs/dbraw/zinc/95/11/17/1034951117.db2.gz SVQZERLIBUVKLN-UHFFFAOYSA-N 2 0 320.440 3.902 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000482250624 1035074274 /nfs/dbraw/zinc/07/42/74/1035074274.db2.gz SLPGTFSUZNURFW-STQMWFEESA-N 2 0 315.288 3.998 20 0 DHADRP CC[NH+]1CCN(c2ccc(Nc3cc(C)cc(C)[nH+]3)cc2)CC1 ZINC001175779211 1035119809 /nfs/dbraw/zinc/11/98/09/1035119809.db2.gz AXOBTYBILXQKJE-UHFFFAOYSA-N 2 0 310.445 3.584 20 0 DHADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000482501315 1035123105 /nfs/dbraw/zinc/12/31/05/1035123105.db2.gz BPTXJUCGVJHDNI-UYAOXDASSA-N 2 0 323.569 3.599 20 0 DHADRP CC1(C)C[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)C(C)(C)O1 ZINC001175965820 1035168495 /nfs/dbraw/zinc/16/84/95/1035168495.db2.gz RUUUDXWWWXVDDO-KRWDZBQOSA-N 2 0 322.537 3.921 20 0 DHADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000482864814 1035187875 /nfs/dbraw/zinc/18/78/75/1035187875.db2.gz BOIRWAVTXPAXBJ-OALUTQOASA-N 2 0 310.526 3.562 20 0 DHADRP Cc1ccc2cc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000668169453 1035202566 /nfs/dbraw/zinc/20/25/66/1035202566.db2.gz RPMNMFBHQXUYCW-GOSISDBHSA-N 2 0 311.473 3.640 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(C)c1 ZINC000668172888 1035205689 /nfs/dbraw/zinc/20/56/89/1035205689.db2.gz VWBZBVHBSINZHV-VQIMIIECSA-N 2 0 304.478 3.556 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2sccc2C)[C@H](C)C1 ZINC000483135389 1035232459 /nfs/dbraw/zinc/23/24/59/1035232459.db2.gz OZFHCZVWYRTEMX-IKGGRYGDSA-N 2 0 324.534 3.844 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(OC)c1 ZINC000483209751 1035241621 /nfs/dbraw/zinc/24/16/21/1035241621.db2.gz ZNDDKECYEYIRES-RDTXWAMCSA-N 2 0 322.493 3.721 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)C[C@@H]1C ZINC000483282563 1035251899 /nfs/dbraw/zinc/25/18/99/1035251899.db2.gz PNPOKGBJUYOVCA-QFBILLFUSA-N 2 0 316.489 3.780 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483467588 1035272165 /nfs/dbraw/zinc/27/21/65/1035272165.db2.gz CNODBQQKFRGBKG-PZJWPPBQSA-N 2 0 324.468 3.635 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000483711000 1035293402 /nfs/dbraw/zinc/29/34/02/1035293402.db2.gz IJYKZHLMIKNNJS-LIRRHRJNSA-N 2 0 304.453 3.771 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CCSCC1 ZINC000903253739 1035295093 /nfs/dbraw/zinc/29/50/93/1035295093.db2.gz PDPVABWXMSBBIY-FAEJEUNOSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000484313887 1035329041 /nfs/dbraw/zinc/32/90/41/1035329041.db2.gz VCFHETPFZZKWTF-QMIVOQANSA-N 2 0 306.416 3.673 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000194852721 1035334535 /nfs/dbraw/zinc/33/45/35/1035334535.db2.gz MHWYJWNFZHXCGE-BBWFWOEESA-N 2 0 304.478 3.801 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000484491579 1035341500 /nfs/dbraw/zinc/34/15/00/1035341500.db2.gz ZVPZYCVOKZOYEB-ZSAUSMIDSA-N 2 0 306.416 3.673 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000484478496 1035344475 /nfs/dbraw/zinc/34/44/75/1035344475.db2.gz CKMTZVICDTXMFI-ZCNNSNEGSA-N 2 0 300.490 3.779 20 0 DHADRP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1 ZINC001177127785 1035349720 /nfs/dbraw/zinc/34/97/20/1035349720.db2.gz NYLDDQLERUGFCX-PMACEKPBSA-N 2 0 318.505 3.966 20 0 DHADRP C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC001177319102 1035363754 /nfs/dbraw/zinc/36/37/54/1035363754.db2.gz VNZWYTNKKAVBDK-WMZOPIPTSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001177674577 1035386901 /nfs/dbraw/zinc/38/69/01/1035386901.db2.gz ZPCYJBMYPSZULL-HKUYNNGSSA-N 2 0 318.505 3.933 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000163786597 1035388273 /nfs/dbraw/zinc/38/82/73/1035388273.db2.gz REFSOOAGADBIGI-OAHLLOKOSA-N 2 0 315.436 3.913 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904362244 1035404418 /nfs/dbraw/zinc/40/44/18/1035404418.db2.gz KCKTXVOVQSUWOI-XEBKBJJBSA-N 2 0 315.486 3.815 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001178156937 1035411322 /nfs/dbraw/zinc/41/13/22/1035411322.db2.gz MUSXYUGGNKBRSP-DAWZGUTISA-N 2 0 312.542 3.785 20 0 DHADRP c1nc(C2CC2)c(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000904416561 1035411491 /nfs/dbraw/zinc/41/14/91/1035411491.db2.gz OOPFMJKYSCTNLS-AWEZNQCLSA-N 2 0 319.518 3.622 20 0 DHADRP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195133307 1035415016 /nfs/dbraw/zinc/41/50/16/1035415016.db2.gz KARVXEXJAQGFDI-MJGOQNOKSA-N 2 0 324.468 3.868 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSc2ccc(F)cc2)C[C@H]1C ZINC000484922912 1035423140 /nfs/dbraw/zinc/42/31/40/1035423140.db2.gz SRIIWJGLBCCKCS-GDBMZVCRSA-N 2 0 310.482 3.722 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSc2ccc(F)cc2)C[C@H]1C ZINC000484922917 1035423259 /nfs/dbraw/zinc/42/32/59/1035423259.db2.gz SRIIWJGLBCCKCS-ZBFHGGJFSA-N 2 0 310.482 3.722 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(SC)cc2)C[C@H]1C ZINC000484925123 1035424095 /nfs/dbraw/zinc/42/40/95/1035424095.db2.gz YQGFHWNOTJGDSK-CVEARBPZSA-N 2 0 322.518 3.592 20 0 DHADRP CC(C)(C)Oc1ccccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206327753 1035428013 /nfs/dbraw/zinc/42/80/13/1035428013.db2.gz XASXKILSGUFJOM-LJQANCHMSA-N 2 0 304.478 3.815 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC001179091708 1035464613 /nfs/dbraw/zinc/46/46/13/1035464613.db2.gz XDBNMMRFVXTDNP-CEXWTWQISA-N 2 0 322.537 3.826 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC001179277409 1035472825 /nfs/dbraw/zinc/47/28/25/1035472825.db2.gz FDBFUFKVISAKSL-UHFFFAOYSA-N 2 0 315.505 3.561 20 0 DHADRP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001179829750 1035506881 /nfs/dbraw/zinc/50/68/81/1035506881.db2.gz HVEYZMYXQTUUPN-QGZVFWFLSA-N 2 0 311.473 3.959 20 0 DHADRP CCc1cccc(F)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001180051233 1035576001 /nfs/dbraw/zinc/57/60/01/1035576001.db2.gz DILSGLZTILAPNE-UHFFFAOYSA-N 2 0 306.469 3.942 20 0 DHADRP CC(C)Oc1ccccc1C[NH2+]CCCCNc1ccccn1 ZINC000078847527 1035583804 /nfs/dbraw/zinc/58/38/04/1035583804.db2.gz DFKBLNMTDQFDPC-UHFFFAOYSA-N 2 0 313.445 3.851 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)CC2CCCC2)cc1 ZINC001204270372 1035690076 /nfs/dbraw/zinc/69/00/76/1035690076.db2.gz TVCBVUBRGHEXRV-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP COc1ccc([C@@H](C)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000539406778 1035717780 /nfs/dbraw/zinc/71/77/80/1035717780.db2.gz DLDAEPASCPLYNS-FUHWJXTLSA-N 2 0 304.478 3.605 20 0 DHADRP CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001180801090 1035768258 /nfs/dbraw/zinc/76/82/58/1035768258.db2.gz FGEWIWMYRLYCFF-PWIZWCRZSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@H](CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2)[NH+]1CCCCC1 ZINC001180811553 1035768359 /nfs/dbraw/zinc/76/83/59/1035768359.db2.gz SEGRRZXUKHSCFO-KURKYZTESA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001181428119 1035907468 /nfs/dbraw/zinc/90/74/68/1035907468.db2.gz RXNWHYZQKVUAJH-HNNXBMFYSA-N 2 0 308.897 3.983 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000226345100 1035928399 /nfs/dbraw/zinc/92/83/99/1035928399.db2.gz KLFQNUNUBORQIE-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000539949897 1035939264 /nfs/dbraw/zinc/93/92/64/1035939264.db2.gz FDOJRTIWDLAMSQ-ROUUACIJSA-N 2 0 310.526 3.683 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000539980426 1035947308 /nfs/dbraw/zinc/94/73/08/1035947308.db2.gz LXOYFCOTOORAJR-DFQSSKMNSA-N 2 0 324.553 3.950 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540153903 1035988081 /nfs/dbraw/zinc/98/80/81/1035988081.db2.gz ROTHPZCZUIOGLP-WBVHZDCISA-N 2 0 304.478 3.856 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000540174173 1035995116 /nfs/dbraw/zinc/99/51/16/1035995116.db2.gz VJCNPVIOJKFXFL-VQIMIIECSA-N 2 0 318.505 3.683 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC000153499279 1036077144 /nfs/dbraw/zinc/07/71/44/1036077144.db2.gz BWYPDLGUCLVZQR-INIZCTEOSA-N 2 0 309.457 3.569 20 0 DHADRP Cc1nc2ccc(C[NH2+]CC3(C[NH+](C)C)CCCC3)cc2s1 ZINC000494847314 1036089239 /nfs/dbraw/zinc/08/92/39/1036089239.db2.gz TYLTVYKOSWUXRL-UHFFFAOYSA-N 2 0 317.502 3.816 20 0 DHADRP C[NH+]1CCC(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC001182249929 1036148682 /nfs/dbraw/zinc/14/86/82/1036148682.db2.gz HTISQMRLGJIJFJ-UHFFFAOYSA-N 2 0 306.881 3.594 20 0 DHADRP CC[C@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000540788014 1036155386 /nfs/dbraw/zinc/15/53/86/1036155386.db2.gz RWXODIOTWQNOPH-YJBOKZPZSA-N 2 0 316.493 3.603 20 0 DHADRP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001203300560 1036190519 /nfs/dbraw/zinc/19/05/19/1036190519.db2.gz NRTMFOUJXLQBLA-WOJBJXKFSA-N 2 0 324.468 3.932 20 0 DHADRP C[NH+](C)CCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000540908216 1036190997 /nfs/dbraw/zinc/19/09/97/1036190997.db2.gz MTACTHWHGXNPSO-UHFFFAOYSA-N 2 0 318.411 3.986 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000228834866 1036204844 /nfs/dbraw/zinc/20/48/44/1036204844.db2.gz LZSIFDKLCZGBSF-UHFFFAOYSA-N 2 0 306.881 3.908 20 0 DHADRP FC(F)(F)C1CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000774380804 1036308254 /nfs/dbraw/zinc/30/82/54/1036308254.db2.gz UKVCOGVOKPLCQE-PIMMBPRGSA-N 2 0 304.400 3.714 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000541534696 1036353796 /nfs/dbraw/zinc/35/37/96/1036353796.db2.gz UUGMLLZVOPENBI-OGWOLHLISA-N 2 0 310.445 3.729 20 0 DHADRP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc2cccnc12 ZINC000541535600 1036356017 /nfs/dbraw/zinc/35/60/17/1036356017.db2.gz HFTWDRSBNZGZQN-SFHVURJKSA-N 2 0 323.484 3.707 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000541588174 1036379677 /nfs/dbraw/zinc/37/96/77/1036379677.db2.gz UTGKZFYUCSKXOO-UYAOXDASSA-N 2 0 300.490 3.673 20 0 DHADRP CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC001195985152 1036402152 /nfs/dbraw/zinc/40/21/52/1036402152.db2.gz CZJYIOJSJRIGRR-VQTJNVASSA-N 2 0 300.490 3.958 20 0 DHADRP CCC1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000541908957 1036458118 /nfs/dbraw/zinc/45/81/18/1036458118.db2.gz YCOSPXZXGMVZPS-FUHWJXTLSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CCSC2)C1 ZINC000486935487 1036475388 /nfs/dbraw/zinc/47/53/88/1036475388.db2.gz JHZPNCODPMQCGA-DLBZAZTESA-N 2 0 318.530 3.761 20 0 DHADRP C[C@]1(C[NH3+])CCCCN(Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001206550290 1036496554 /nfs/dbraw/zinc/49/65/54/1036496554.db2.gz ZMXPOFIBJIDQIZ-OAHLLOKOSA-N 2 0 318.358 3.795 20 0 DHADRP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC001183197385 1036540562 /nfs/dbraw/zinc/54/05/62/1036540562.db2.gz SWGHZUHCJQHJHR-QGZVFWFLSA-N 2 0 300.490 3.598 20 0 DHADRP C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000495369600 1036578324 /nfs/dbraw/zinc/57/83/24/1036578324.db2.gz UKSYTEHNZQYZRI-RUJXFNLJSA-N 2 0 324.468 3.991 20 0 DHADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491545831 1036601808 /nfs/dbraw/zinc/60/18/08/1036601808.db2.gz LEEQVRCJCARQKK-YLHGKKIISA-N 2 0 314.395 3.896 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487308223 1036650735 /nfs/dbraw/zinc/65/07/35/1036650735.db2.gz LAMBBPARSKLPKS-HGGRVWGASA-N 2 0 321.468 3.595 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001196942588 1036655031 /nfs/dbraw/zinc/65/50/31/1036655031.db2.gz FTSBNWHSLGNWDP-UFYCRDLUSA-N 2 0 320.521 3.530 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccncc2)CCN1Cc1ccccc1 ZINC000487304913 1036656993 /nfs/dbraw/zinc/65/69/93/1036656993.db2.gz BCYDOAXNNSYKDX-CDKMSYNUSA-N 2 0 321.468 3.738 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC001184136066 1036749222 /nfs/dbraw/zinc/74/92/22/1036749222.db2.gz ZMDRSUZHFCTWOA-LJQANCHMSA-N 2 0 304.453 3.913 20 0 DHADRP C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCCn1ccnc1 ZINC000645964247 1036764955 /nfs/dbraw/zinc/76/49/55/1036764955.db2.gz XYEVLNYFTWILEP-GOSISDBHSA-N 2 0 301.409 3.510 20 0 DHADRP c1ccc(C[C@@H]2C[C@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001184338266 1036817309 /nfs/dbraw/zinc/81/73/09/1036817309.db2.gz MBOHFBYYFIXQDD-MOPGFXCFSA-N 2 0 321.468 3.519 20 0 DHADRP CCCCC[C@@H](C)[NH2+]CCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001184417317 1036836618 /nfs/dbraw/zinc/83/66/18/1036836618.db2.gz AKMOSCLTAIWUFC-GOSISDBHSA-N 2 0 317.521 3.539 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001168492333 1036874205 /nfs/dbraw/zinc/87/42/05/1036874205.db2.gz QPOKQORWRNXSOR-INIZCTEOSA-N 2 0 318.480 3.811 20 0 DHADRP CCCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000236775095 1036980002 /nfs/dbraw/zinc/98/00/02/1036980002.db2.gz WFJVSXKLHWJYNV-GOSISDBHSA-N 2 0 304.478 3.687 20 0 DHADRP CC1CC[NH+](CCC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000236844782 1036984573 /nfs/dbraw/zinc/98/45/73/1036984573.db2.gz MCGKSJGROTXSTB-UHFFFAOYSA-N 2 0 304.453 3.783 20 0 DHADRP CC(C)[C@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488424292 1037004612 /nfs/dbraw/zinc/00/46/12/1037004612.db2.gz CMHMAQDILBMYHO-XWTMOSNGSA-N 2 0 312.567 3.864 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488428732 1037015985 /nfs/dbraw/zinc/01/59/85/1037015985.db2.gz DLBRGXJJEBMTLQ-MSOLQXFVSA-N 2 0 310.551 3.761 20 0 DHADRP Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309651722 1037168296 /nfs/dbraw/zinc/16/82/96/1037168296.db2.gz GXMGKXHPZJIHGB-FQEVSTJZSA-N 2 0 308.469 3.915 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001198952794 1037171897 /nfs/dbraw/zinc/17/18/97/1037171897.db2.gz YWLZYGZUFCQSHM-CVEARBPZSA-N 2 0 304.478 3.610 20 0 DHADRP FCCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309983927 1037203066 /nfs/dbraw/zinc/20/30/66/1037203066.db2.gz WLDDBIOBTUKLHL-RBUKOAKNSA-N 2 0 304.453 3.580 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310292521 1037225926 /nfs/dbraw/zinc/22/59/26/1037225926.db2.gz ZOEKFGVOVCHCGD-PXNSSMCTSA-N 2 0 324.468 3.695 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000310367945 1037229053 /nfs/dbraw/zinc/22/90/53/1037229053.db2.gz WCYOFHISOAFJHY-XLIONFOSSA-N 2 0 324.468 3.838 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001168501088 1037231912 /nfs/dbraw/zinc/23/19/12/1037231912.db2.gz PJXDZUGUTAWCQX-INIZCTEOSA-N 2 0 304.453 3.565 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC001199329132 1037243879 /nfs/dbraw/zinc/24/38/79/1037243879.db2.gz NWNJZAMXHYSEKX-NNCADPFVSA-N 2 0 304.453 3.797 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000493205628 1037252921 /nfs/dbraw/zinc/25/29/21/1037252921.db2.gz OFZYJSPPYAGQET-NUJGCVRESA-N 2 0 306.519 3.876 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000178511927 1037322315 /nfs/dbraw/zinc/32/23/15/1037322315.db2.gz CCSVKOXLJFCIJY-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001199758697 1037330023 /nfs/dbraw/zinc/33/00/23/1037330023.db2.gz ALILHHRPZIIKJK-XWTMOSNGSA-N 2 0 310.526 3.680 20 0 DHADRP COCC1CCC([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001199761342 1037331770 /nfs/dbraw/zinc/33/17/70/1037331770.db2.gz XYOILANBMCMURU-OQSMONGASA-N 2 0 310.526 3.538 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]CCN(C)C2CCCCC2)cc1 ZINC001199812491 1037344647 /nfs/dbraw/zinc/34/46/47/1037344647.db2.gz KJMBYVAESCLBJC-QGZVFWFLSA-N 2 0 318.505 3.870 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCC2(CCC2)CC1 ZINC001199822643 1037352919 /nfs/dbraw/zinc/35/29/19/1037352919.db2.gz IVXVFZJIOCKREP-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C[C@H]2CCC=CO2)C[N@@H+]1Cc1ccccc1 ZINC000775035533 1037448887 /nfs/dbraw/zinc/44/88/87/1037448887.db2.gz ZWRSJFTYRRAAQH-YZGWKJHDSA-N 2 0 314.473 3.569 20 0 DHADRP CCO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001200873133 1037453082 /nfs/dbraw/zinc/45/30/82/1037453082.db2.gz YZQNCTXHNJKTET-MOPGFXCFSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000670266916 1037488224 /nfs/dbraw/zinc/48/82/24/1037488224.db2.gz HDTNDRPNXRTNLB-IEBWSBKVSA-N 2 0 302.506 3.823 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000493945418 1037604058 /nfs/dbraw/zinc/60/40/58/1037604058.db2.gz QYLABNCHMNPCMG-LNLFQRSKSA-N 2 0 304.478 3.617 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C12CCC2 ZINC000776162629 1037625096 /nfs/dbraw/zinc/62/50/96/1037625096.db2.gz KFZZVAXGIZGTKI-GMNCBBECSA-N 2 0 320.521 3.721 20 0 DHADRP COCC(C)(C)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000494080098 1037642319 /nfs/dbraw/zinc/64/23/19/1037642319.db2.gz QCRKXMZFIPPQIQ-UHFFFAOYSA-N 2 0 318.505 3.825 20 0 DHADRP CC(C)(C)C1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC001201415617 1037655935 /nfs/dbraw/zinc/65/59/35/1037655935.db2.gz FVYVIJGAYKLHCG-VHZYLWGESA-N 2 0 322.537 3.559 20 0 DHADRP CC(C)(C)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001201415616 1037656970 /nfs/dbraw/zinc/65/69/70/1037656970.db2.gz FVYVIJGAYKLHCG-LRMJVLKBSA-N 2 0 322.537 3.559 20 0 DHADRP CC(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201447960 1037702072 /nfs/dbraw/zinc/70/20/72/1037702072.db2.gz WBYNEIDGQJGKGA-OALUTQOASA-N 2 0 300.490 3.877 20 0 DHADRP C[N@H+](CC1CCC(C(F)(F)F)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000185497438 1037810984 /nfs/dbraw/zinc/81/09/84/1037810984.db2.gz YXQYNRFSQRHQQX-SLTAFYQDSA-N 2 0 306.416 3.629 20 0 DHADRP Cc1ccc(Cl)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201665799 1037839305 /nfs/dbraw/zinc/83/93/05/1037839305.db2.gz IVCVCZXKYIKYAG-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP Cc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(Cl)c1 ZINC001201658521 1037839367 /nfs/dbraw/zinc/83/93/67/1037839367.db2.gz CZTSOKOVMBIVBX-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP CSCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201695759 1037842437 /nfs/dbraw/zinc/84/24/37/1037842437.db2.gz DJIRPKFUVPVAEX-LJQANCHMSA-N 2 0 318.530 3.728 20 0 DHADRP CCCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001201734767 1037894511 /nfs/dbraw/zinc/89/45/11/1037894511.db2.gz JTHHMCOQTCOXNB-UHFFFAOYSA-N 2 0 316.489 3.544 20 0 DHADRP C[C@@H](C[NH+]1CCCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000186739195 1037927144 /nfs/dbraw/zinc/92/71/44/1037927144.db2.gz NXFRGRVUSLAYOG-SFHVURJKSA-N 2 0 321.553 3.638 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125447939 1037938941 /nfs/dbraw/zinc/93/89/41/1037938941.db2.gz KFTDUFRNZCWXFA-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP CC1(C)CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563400 1037946801 /nfs/dbraw/zinc/94/68/01/1037946801.db2.gz PLXFDZMGSMVBIG-ZIAGYGMSSA-N 2 0 306.416 3.662 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CCSCC1 ZINC000187114058 1037948081 /nfs/dbraw/zinc/94/80/81/1037948081.db2.gz IFEVVXVUFGGBSO-OAHLLOKOSA-N 2 0 310.551 3.762 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC001201947006 1037949304 /nfs/dbraw/zinc/94/93/04/1037949304.db2.gz OSKLJATXBBKQEW-AEFFLSMTSA-N 2 0 316.489 3.746 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCCO2 ZINC000126658037 1038087399 /nfs/dbraw/zinc/08/73/99/1038087399.db2.gz LBWICCISSBMKRM-KRWDZBQOSA-N 2 0 322.880 3.794 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571550693 1038167968 /nfs/dbraw/zinc/16/79/68/1038167968.db2.gz PIVGXDMEGYNNPK-HZPDHXFCSA-N 2 0 321.534 3.983 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000572047915 1038322273 /nfs/dbraw/zinc/32/22/73/1038322273.db2.gz ZYJCWBZDGCNJIY-OAHLLOKOSA-N 2 0 322.880 3.512 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000572205351 1038352476 /nfs/dbraw/zinc/35/24/76/1038352476.db2.gz FDZUUCJCROIIRQ-BRWVUGGUSA-N 2 0 304.478 3.507 20 0 DHADRP C[C@@H]1C[C@H](C)[NH+](Cc2cncc(C[N@@H+]3C[C@H](C)C[C@@H]3C)c2)C1 ZINC000572453918 1038381520 /nfs/dbraw/zinc/38/15/20/1038381520.db2.gz WMRJRQDQNHQEHC-NCOADZHNSA-N 2 0 301.478 3.542 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCSC2)ccc1OC ZINC000775412980 1038383491 /nfs/dbraw/zinc/38/34/91/1038383491.db2.gz SXLUNXVYBFTEOM-PBHICJAKSA-N 2 0 322.518 3.693 20 0 DHADRP COc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC001190819468 1038389176 /nfs/dbraw/zinc/38/91/76/1038389176.db2.gz WMKBKXZGOZYAKR-UHFFFAOYSA-N 2 0 304.478 3.556 20 0 DHADRP CCCCOc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205546662 1038409479 /nfs/dbraw/zinc/40/94/79/1038409479.db2.gz YDUZMUADIBLPDT-SFHVURJKSA-N 2 0 308.441 3.518 20 0 DHADRP C[C@H]1SCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC001191022160 1038421983 /nfs/dbraw/zinc/42/19/83/1038421983.db2.gz PWSPZKKPZHUYHS-DLBZAZTESA-N 2 0 318.530 3.998 20 0 DHADRP C[NH2+]Cc1cn(C2CC[NH+](CC3CC3)CC2)c2ccc(C)cc12 ZINC001168387400 1038437971 /nfs/dbraw/zinc/43/79/71/1038437971.db2.gz GZOLGKLCGPMMJA-UHFFFAOYSA-N 2 0 311.473 3.716 20 0 DHADRP C[C@H]1C[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC001191194156 1038458708 /nfs/dbraw/zinc/45/87/08/1038458708.db2.gz RCITXEZCQMUIRC-OALUTQOASA-N 2 0 314.517 3.919 20 0 DHADRP CO[C@@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C1CCC1 ZINC001191550850 1038519721 /nfs/dbraw/zinc/51/97/21/1038519721.db2.gz NKFAWOQOGRIEOK-PXNSSMCTSA-N 2 0 322.537 3.778 20 0 DHADRP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205604790 1038690180 /nfs/dbraw/zinc/69/01/80/1038690180.db2.gz XBVOZUFAPANRGB-GXTWGEPZSA-N 2 0 300.368 3.512 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000590786712 1038705364 /nfs/dbraw/zinc/70/53/64/1038705364.db2.gz KFINJCONDDQCOB-UHFFFAOYSA-N 2 0 324.509 3.970 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000590787174 1038706189 /nfs/dbraw/zinc/70/61/89/1038706189.db2.gz TYEXMOGCKYNQPR-UHFFFAOYSA-N 2 0 304.478 3.508 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413721 1038847029 /nfs/dbraw/zinc/84/70/29/1038847029.db2.gz AAJYHKUJHQJQBN-LJQANCHMSA-N 2 0 318.480 3.783 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413797 1038859249 /nfs/dbraw/zinc/85/92/49/1038859249.db2.gz AUEFSJHRWUPXFY-IBGZPJMESA-N 2 0 318.480 3.926 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCc1cnccc1C ZINC000573248499 1038887192 /nfs/dbraw/zinc/88/71/92/1038887192.db2.gz VVWPWTITGWTCQK-VQTJNVASSA-N 2 0 317.521 3.813 20 0 DHADRP COc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1F ZINC000669679780 1038970053 /nfs/dbraw/zinc/97/00/53/1038970053.db2.gz PMYUDDQSFPJGMO-HOTGVXAUSA-N 2 0 322.468 3.682 20 0 DHADRP CSCCCCC[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000573821787 1039079749 /nfs/dbraw/zinc/07/97/49/1039079749.db2.gz FCSIHOLRIVCLDH-QZTJIDSGSA-N 2 0 306.519 3.945 20 0 DHADRP C[C@@H](CNc1cc[nH+]c2ccccc12)[N@@H+]1CCc2sccc2C1 ZINC000599457123 1039160954 /nfs/dbraw/zinc/16/09/54/1039160954.db2.gz OALGUWTZXUIUIM-AWEZNQCLSA-N 2 0 323.465 3.577 20 0 DHADRP CC(C)(C)[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000592495862 1039215118 /nfs/dbraw/zinc/21/51/18/1039215118.db2.gz SYWVERFSXQEZGS-DOMZBBRYSA-N 2 0 314.395 3.992 20 0 DHADRP C[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC000669706141 1039268297 /nfs/dbraw/zinc/26/82/97/1039268297.db2.gz DZPNPLFUJMYTHA-AWEZNQCLSA-N 2 0 317.452 3.560 20 0 DHADRP CC(C)(C)c1ccc(CC[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000574126930 1039408943 /nfs/dbraw/zinc/40/89/43/1039408943.db2.gz IOCYJZGVUWOEJM-UHFFFAOYSA-N 2 0 314.517 3.991 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168419373 1039554852 /nfs/dbraw/zinc/55/48/52/1039554852.db2.gz BFRRDOMKIYPESG-AQNXPRMDSA-N 2 0 318.480 3.926 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168405667 1039913244 /nfs/dbraw/zinc/91/32/44/1039913244.db2.gz TVLAFNCIQNBBKV-HNAYVOBHSA-N 2 0 304.453 3.537 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000574887044 1040058191 /nfs/dbraw/zinc/05/81/91/1040058191.db2.gz HVWDUPYTPMNACS-TYNCELHUSA-N 2 0 300.368 3.621 20 0 DHADRP FC(F)[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000761109969 1040129700 /nfs/dbraw/zinc/12/97/00/1040129700.db2.gz RBKOALHZRYHIPN-ZIAGYGMSSA-N 2 0 324.406 3.721 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168406383 1040158081 /nfs/dbraw/zinc/15/80/81/1040158081.db2.gz YVMAEJHJMACCOS-KXBFYZLASA-N 2 0 306.469 3.783 20 0 DHADRP Cc1ccc(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000608578062 1040555513 /nfs/dbraw/zinc/55/55/13/1040555513.db2.gz LNDQMZAURQSGFB-QFIPXVFZSA-N 2 0 322.496 3.991 20 0 DHADRP c1ccc2c(c1)cccc2C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000601566064 1040692639 /nfs/dbraw/zinc/69/26/39/1040692639.db2.gz LBHWPZSXKXUWBM-UHFFFAOYSA-N 2 0 303.409 3.557 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1(C)C ZINC001168412170 1040905253 /nfs/dbraw/zinc/90/52/53/1040905253.db2.gz KVAGPSDOZFUZST-KRWDZBQOSA-N 2 0 318.480 3.924 20 0 DHADRP CC[NH+](CC)Cc1cccc(NC2CC[NH+](C(C)C)CC2)c1 ZINC000236930433 202077252 /nfs/dbraw/zinc/07/72/52/202077252.db2.gz FMSZCCBLUUFMII-UHFFFAOYSA-N 2 0 303.494 3.813 20 0 DHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152378387 335035585 /nfs/dbraw/zinc/03/55/85/335035585.db2.gz PSPYQIAITBIXAY-BIENJYKASA-N 2 0 302.437 3.523 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCCSC2)C3)cc1 ZINC000272409327 130027963 /nfs/dbraw/zinc/02/79/63/130027963.db2.gz KXXOJEKKSSEGMJ-CADBVGFASA-N 2 0 316.514 3.667 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272668931 130051337 /nfs/dbraw/zinc/05/13/37/130051337.db2.gz JXRFNMVVSLWRKV-MAUKXSAKSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@H]([NH2+]CC1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272704658 130055393 /nfs/dbraw/zinc/05/53/93/130055393.db2.gz ZYTATYZYUQHYBW-LPHOPBHVSA-N 2 0 318.530 3.630 20 0 DHADRP COCCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274790417 130262612 /nfs/dbraw/zinc/26/26/12/130262612.db2.gz RLNXTWVUWUOGEJ-MJGOQNOKSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(Cl)cn1 ZINC000274976405 130278668 /nfs/dbraw/zinc/27/86/68/130278668.db2.gz YPBZWBJCMCXZLU-HNNXBMFYSA-N 2 0 309.885 3.898 20 0 DHADRP c1ccc(OCCCCC[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000275683344 130360705 /nfs/dbraw/zinc/36/07/05/130360705.db2.gz HJCQUMMNSWBKFX-UHFFFAOYSA-N 2 0 316.489 3.842 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340183793 131018312 /nfs/dbraw/zinc/01/83/12/131018312.db2.gz FOBLSAYAGNAULC-VQIMIIECSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000283877500 131030710 /nfs/dbraw/zinc/03/07/10/131030710.db2.gz CBHLRCFQSOGBDC-MRXNPFEDSA-N 2 0 313.445 3.546 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000286292699 131229155 /nfs/dbraw/zinc/22/91/55/131229155.db2.gz WHBSOKYWJWPDRB-FXAWDEMLSA-N 2 0 316.489 3.537 20 0 DHADRP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000287532293 131285024 /nfs/dbraw/zinc/28/50/24/131285024.db2.gz PAAMKYPTSZEBDS-SJORKVTESA-N 2 0 317.864 3.511 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340262300 131301922 /nfs/dbraw/zinc/30/19/22/131301922.db2.gz XFLBOQLHKGTRMZ-BEFAXECRSA-N 2 0 304.478 3.571 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000366661602 131399580 /nfs/dbraw/zinc/39/95/80/131399580.db2.gz DGBOHPXBAMJDMY-QRQLOZEOSA-N 2 0 308.510 3.577 20 0 DHADRP CCC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000297439981 132015795 /nfs/dbraw/zinc/01/57/95/132015795.db2.gz WBIKTHMBVOWCGU-HAGHYFMRSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297913830 132039686 /nfs/dbraw/zinc/03/96/86/132039686.db2.gz WSXBRLSSKLJHGD-GOEBONIOSA-N 2 0 321.896 3.822 20 0 DHADRP C[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298330513 132056581 /nfs/dbraw/zinc/05/65/81/132056581.db2.gz ITCRHRARIYOUFP-KRWDZBQOSA-N 2 0 309.457 3.834 20 0 DHADRP CC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298507497 132065918 /nfs/dbraw/zinc/06/59/18/132065918.db2.gz QSSKLIMYFJEHFD-QGZVFWFLSA-N 2 0 309.457 3.834 20 0 DHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000353605533 132090926 /nfs/dbraw/zinc/09/09/26/132090926.db2.gz CFEYWHVLOHQVDA-KRWDZBQOSA-N 2 0 322.518 3.563 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000173226868 332825334 /nfs/dbraw/zinc/82/53/34/332825334.db2.gz DCRWXPKSMFQHNY-HNAYVOBHSA-N 2 0 304.478 3.783 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000171133713 332867495 /nfs/dbraw/zinc/86/74/95/332867495.db2.gz UOVNPANCGRYBPA-IBGZPJMESA-N 2 0 310.441 3.752 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000583975066 331507696 /nfs/dbraw/zinc/50/76/96/331507696.db2.gz WJUNNLBOPZTVMU-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CCCCC[C@@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370659045 331565956 /nfs/dbraw/zinc/56/59/56/331565956.db2.gz AATFUIAVLCUDDV-GOSISDBHSA-N 2 0 323.569 3.741 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000564822882 331753694 /nfs/dbraw/zinc/75/36/94/331753694.db2.gz OSISISZZDWAHGU-MRXNPFEDSA-N 2 0 319.493 3.505 20 0 DHADRP CSC1(C[NH2+][C@H]2CCc3c2cccc3Cl)CC[NH+](C)CC1 ZINC000517787588 331969847 /nfs/dbraw/zinc/96/98/47/331969847.db2.gz XCVJZTXHLXNDTB-INIZCTEOSA-N 2 0 324.921 3.744 20 0 DHADRP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070081 331991283 /nfs/dbraw/zinc/99/12/83/331991283.db2.gz KGHGEVKKKQCKHI-QGZVFWFLSA-N 2 0 310.869 3.621 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000518471839 332060710 /nfs/dbraw/zinc/06/07/10/332060710.db2.gz TWJVREGFKXIMKE-UXHICEINSA-N 2 0 300.490 3.818 20 0 DHADRP CC1=C[C@H](C)C[C@H](C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000569395654 332075319 /nfs/dbraw/zinc/07/53/19/332075319.db2.gz DVYQZPZKXGVNSN-LPHOPBHVSA-N 2 0 313.489 3.880 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000580106321 332943324 /nfs/dbraw/zinc/94/33/24/332943324.db2.gz KYYJMXIPXIXHEJ-IBGZPJMESA-N 2 0 304.453 3.907 20 0 DHADRP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c2ccccc12 ZINC000092253937 332123112 /nfs/dbraw/zinc/12/31/12/332123112.db2.gz PSJPHDDLSVGUEJ-INIZCTEOSA-N 2 0 312.457 3.622 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000092381257 332127816 /nfs/dbraw/zinc/12/78/16/332127816.db2.gz SDLRVXHICXYUAO-UHFFFAOYSA-N 2 0 316.489 3.639 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CCCC2)CC[N@@H+]1C ZINC000181341429 332192068 /nfs/dbraw/zinc/19/20/68/332192068.db2.gz CSYWFOGZLBCIPY-MJGOQNOKSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000363758240 332241733 /nfs/dbraw/zinc/24/17/33/332241733.db2.gz GVMSTIJDUFJVTI-HKUYNNGSSA-N 2 0 322.537 3.562 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000448031545 332247473 /nfs/dbraw/zinc/24/74/73/332247473.db2.gz UWGAMARECDRXEW-LPWQTFTOSA-N 2 0 300.490 3.843 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000566244884 332276300 /nfs/dbraw/zinc/27/63/00/332276300.db2.gz AWUDYUBUYOOLHC-GFCCVEGCSA-N 2 0 324.346 3.895 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000559854739 332285362 /nfs/dbraw/zinc/28/53/62/332285362.db2.gz LEMVHNMMLVXZAC-HOJAQTOUSA-N 2 0 317.521 3.532 20 0 DHADRP COc1cccc2c1CC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C2 ZINC000426075194 335100627 /nfs/dbraw/zinc/10/06/27/335100627.db2.gz FMZSQKNWKKTTGH-GOSISDBHSA-N 2 0 318.505 3.651 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC[NH+]1CCCCC1 ZINC000560521334 332350015 /nfs/dbraw/zinc/35/00/15/332350015.db2.gz FHLQBZCBSAMZFA-HNNXBMFYSA-N 2 0 310.432 3.752 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000560531619 332353419 /nfs/dbraw/zinc/35/34/19/332353419.db2.gz XFTHJOUJDCULCG-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000449528879 332372506 /nfs/dbraw/zinc/37/25/06/332372506.db2.gz SRKDVFLOUWVZTH-UHFFFAOYSA-N 2 0 318.383 3.621 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000562019430 332533334 /nfs/dbraw/zinc/53/33/34/332533334.db2.gz KADSAGSNIHAISU-RBUKOAKNSA-N 2 0 316.489 3.685 20 0 DHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C1(C3CC3)CC1)c1ccccc1O2 ZINC000562363568 332584625 /nfs/dbraw/zinc/58/46/25/332584625.db2.gz BGRPLSODHMIIFV-QGZVFWFLSA-N 2 0 312.457 3.507 20 0 DHADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261679127 332640275 /nfs/dbraw/zinc/64/02/75/332640275.db2.gz HVZRBHVIAPTABV-MISYRCLQSA-N 2 0 311.473 3.611 20 0 DHADRP Cc1nsc(C)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000580211863 333011994 /nfs/dbraw/zinc/01/19/94/333011994.db2.gz MUNFIMLJZVRHMS-UHFFFAOYSA-N 2 0 321.534 3.848 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000314223912 333094779 /nfs/dbraw/zinc/09/47/79/333094779.db2.gz UHQIFVCBJUJSNX-IBGZPJMESA-N 2 0 302.462 3.538 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000582026431 333171968 /nfs/dbraw/zinc/17/19/68/333171968.db2.gz HWVISKQKXADFNX-BJLQDIEVSA-N 2 0 323.569 3.740 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000582026432 333172195 /nfs/dbraw/zinc/17/21/95/333172195.db2.gz HWVISKQKXADFNX-CMKODMSKSA-N 2 0 323.569 3.740 20 0 DHADRP CSCCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309717691 333190841 /nfs/dbraw/zinc/19/08/41/333190841.db2.gz MMNGCKKRAZZGMM-AEFFLSMTSA-N 2 0 306.519 3.630 20 0 DHADRP CSCCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309717694 333190868 /nfs/dbraw/zinc/19/08/68/333190868.db2.gz MMNGCKKRAZZGMM-FUHWJXTLSA-N 2 0 306.519 3.630 20 0 DHADRP C[N@H+](Cc1ccccc1NC(=O)CCCC[NH3+])C1CCCCC1 ZINC000582065630 333196190 /nfs/dbraw/zinc/19/61/90/333196190.db2.gz ZIXVGTGBRAMFKS-UHFFFAOYSA-N 2 0 317.477 3.519 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000318630777 333196407 /nfs/dbraw/zinc/19/64/07/333196407.db2.gz DYZSLIZDXXPQHI-ZDUSSCGKSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000310005333 333215556 /nfs/dbraw/zinc/21/55/56/333215556.db2.gz HIUHXFJHHHZPOB-QGZVFWFLSA-N 2 0 312.457 3.873 20 0 DHADRP CC1(C)CC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC(C)(C)[NH2+]1 ZINC000319213143 333273901 /nfs/dbraw/zinc/27/39/01/333273901.db2.gz OOPASUPJKQKKSX-QGZVFWFLSA-N 2 0 302.462 3.668 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000019993102 333294567 /nfs/dbraw/zinc/29/45/67/333294567.db2.gz DHFRSUWRMNZNCK-CYBMUJFWSA-N 2 0 300.368 3.842 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000503046311 333313350 /nfs/dbraw/zinc/31/33/50/333313350.db2.gz CTNGTJGDKGKTFQ-WOJBJXKFSA-N 2 0 300.490 3.892 20 0 DHADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1cncc(C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000565344699 333391098 /nfs/dbraw/zinc/39/10/98/333391098.db2.gz JDDQFKXOSXBLLX-QBPKDAKJSA-N 2 0 301.478 3.827 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000563137671 333395870 /nfs/dbraw/zinc/39/58/70/333395870.db2.gz ABVDZKYOFBAXGQ-HIFRSBDPSA-N 2 0 314.395 3.697 20 0 DHADRP COc1ccccc1C[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000124029161 333486296 /nfs/dbraw/zinc/48/62/96/333486296.db2.gz ORTLZHBJGWVDCK-AWEZNQCLSA-N 2 0 304.478 3.525 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)ccc12 ZINC000414200611 333913394 /nfs/dbraw/zinc/91/33/94/333913394.db2.gz ZZDKJPBPNYQJGV-OXQOHEQNSA-N 2 0 321.424 3.592 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+]CC3=CC[N@H+](C)CC3)oc21 ZINC000271820660 334027257 /nfs/dbraw/zinc/02/72/57/334027257.db2.gz CFYRUVRDZZKYBS-AWEZNQCLSA-N 2 0 314.429 3.744 20 0 DHADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000414649818 334054521 /nfs/dbraw/zinc/05/45/21/334054521.db2.gz ALJMERRYVMRAQC-NHCUHLMSSA-N 2 0 312.501 3.961 20 0 DHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414663528 334061828 /nfs/dbraw/zinc/06/18/28/334061828.db2.gz BFERZCGYFJRDAJ-YSIASYRMSA-N 2 0 322.452 3.531 20 0 DHADRP Cc1ccc(OC2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1C ZINC000414683329 334068100 /nfs/dbraw/zinc/06/81/00/334068100.db2.gz BFRKDEJEODLTCX-ZWKOTPCHSA-N 2 0 316.489 3.535 20 0 DHADRP Cc1ncsc1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000414721976 334074376 /nfs/dbraw/zinc/07/43/76/334074376.db2.gz DFUHBLILYBZFMZ-ZBFHGGJFSA-N 2 0 309.523 3.545 20 0 DHADRP Cc1ncsc1C[N@H+](C[C@H](C)CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000414721973 334074383 /nfs/dbraw/zinc/07/43/83/334074383.db2.gz DFUHBLILYBZFMZ-GDBMZVCRSA-N 2 0 309.523 3.545 20 0 DHADRP CC(C)C[C@@H](C)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414726729 334074533 /nfs/dbraw/zinc/07/45/33/334074533.db2.gz ZTDCKRSMIVHYQA-HZPDHXFCSA-N 2 0 321.534 3.769 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1C(F)(F)F ZINC000414738920 334077997 /nfs/dbraw/zinc/07/79/97/334077997.db2.gz PMLMGIYMGYYWNA-CYBMUJFWSA-N 2 0 300.368 3.575 20 0 DHADRP C[C@H]1C[C@@H](C[NH+]2CCC(c3c(F)cccc3F)CC2)CC[NH2+]1 ZINC000414755774 334085756 /nfs/dbraw/zinc/08/57/56/334085756.db2.gz PQVMBWZJBRBQON-KBPBESRZSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)CC[NH2+]1 ZINC000414760102 334086926 /nfs/dbraw/zinc/08/69/26/334086926.db2.gz XUBJLWBXMXAODJ-BFYDXBDKSA-N 2 0 313.445 3.743 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414777301 334092044 /nfs/dbraw/zinc/09/20/44/334092044.db2.gz HZEPQUYNELCWHA-VXGBXAGGSA-N 2 0 318.408 3.588 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778986 334092606 /nfs/dbraw/zinc/09/26/06/334092606.db2.gz JYEXKBKGQNOFCM-GJZGRUSLSA-N 2 0 300.471 3.723 20 0 DHADRP c1ccc(CC[C@@H](Cc2ccccc2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783236 334094886 /nfs/dbraw/zinc/09/48/86/334094886.db2.gz QEVYPNSVSBQTPW-NRFANRHFSA-N 2 0 308.469 3.572 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414791349 334097986 /nfs/dbraw/zinc/09/79/86/334097986.db2.gz HSXBUYJOJZAREV-GXFFZTMASA-N 2 0 306.759 3.576 20 0 DHADRP Cc1nc2ccc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cc2s1 ZINC000414808198 334104474 /nfs/dbraw/zinc/10/44/74/334104474.db2.gz DQWQOEZVMNYOIA-LBPRGKRZSA-N 2 0 311.454 3.914 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000414809880 334104782 /nfs/dbraw/zinc/10/47/82/334104782.db2.gz UUAQQIJQZBRVLJ-DJANBRAMSA-N 2 0 316.489 3.829 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414808172 334104840 /nfs/dbraw/zinc/10/48/40/334104840.db2.gz KOKIOIRAOUONAN-GFCCVEGCSA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414812042 334105971 /nfs/dbraw/zinc/10/59/71/334105971.db2.gz KFXJKQNUZXBPBD-CABCVRRESA-N 2 0 300.421 3.956 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000414816386 334106312 /nfs/dbraw/zinc/10/63/12/334106312.db2.gz PRVBDBOJYRLICV-LSDHHAIUSA-N 2 0 322.456 3.694 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414812549 334106332 /nfs/dbraw/zinc/10/63/32/334106332.db2.gz XKBDKAVQFKAWKZ-IVMMDQJWSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000414816800 334107222 /nfs/dbraw/zinc/10/72/22/334107222.db2.gz QTYMWYUVIGJVTD-QGLTVNCISA-N 2 0 300.368 3.917 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414832082 334110822 /nfs/dbraw/zinc/11/08/22/334110822.db2.gz DSGUWFHQOZFBFO-AWEZNQCLSA-N 2 0 318.411 3.542 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414846727 334117847 /nfs/dbraw/zinc/11/78/47/334117847.db2.gz HQMXVNLJOMHMGL-OAHLLOKOSA-N 2 0 315.486 3.598 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414849023 334121133 /nfs/dbraw/zinc/12/11/33/334121133.db2.gz HANGEGFVKSCFEF-ZBFHGGJFSA-N 2 0 315.486 3.596 20 0 DHADRP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414853543 334127661 /nfs/dbraw/zinc/12/76/61/334127661.db2.gz KYKGGMKWVIOBCT-GDBMZVCRSA-N 2 0 300.471 3.893 20 0 DHADRP Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000343615068 335177663 /nfs/dbraw/zinc/17/76/63/335177663.db2.gz CJFRFTVBBIWHSW-GOEBONIOSA-N 2 0 313.420 3.745 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862175 334133046 /nfs/dbraw/zinc/13/30/46/334133046.db2.gz VCSWEQIYUPAHQD-CABCVRRESA-N 2 0 300.368 3.541 20 0 DHADRP [NH3+][C@@H](C[NH2+]CCCCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000414885816 334154145 /nfs/dbraw/zinc/15/41/45/334154145.db2.gz GTHVBIKQAMOEMB-HNNXBMFYSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906134 334169359 /nfs/dbraw/zinc/16/93/59/334169359.db2.gz MBJVGUVHSKWFBN-DOMZBBRYSA-N 2 0 300.899 3.702 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414916537 334177540 /nfs/dbraw/zinc/17/75/40/334177540.db2.gz OTAHFWQFJMTGNT-VXGBXAGGSA-N 2 0 301.261 3.656 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)[C@H]1COc2ccccc21 ZINC000415082718 334272238 /nfs/dbraw/zinc/27/22/38/334272238.db2.gz MILJRFIAHKTBQX-JQERWDHBSA-N 2 0 322.452 3.634 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414941262 334202453 /nfs/dbraw/zinc/20/24/53/334202453.db2.gz LHTJSQADSRLIFU-UEKVPHQBSA-N 2 0 301.261 3.512 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414945828 334205044 /nfs/dbraw/zinc/20/50/44/334205044.db2.gz SFHWUYCYMUBFLR-WBMJQRKESA-N 2 0 315.288 3.904 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)cc2)cc1 ZINC000414946730 334206255 /nfs/dbraw/zinc/20/62/55/334206255.db2.gz JZAXJMBNZOVZNJ-FXAWDEMLSA-N 2 0 324.468 3.804 20 0 DHADRP CC(C)[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cn1 ZINC000340474742 334211679 /nfs/dbraw/zinc/21/16/79/334211679.db2.gz UXFOYMNJCVXOKV-SFHVURJKSA-N 2 0 307.457 3.774 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414962396 334213087 /nfs/dbraw/zinc/21/30/87/334213087.db2.gz CKZHHPHFROSOLV-KRWDZBQOSA-N 2 0 300.471 3.893 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967837 334215323 /nfs/dbraw/zinc/21/53/23/334215323.db2.gz HSQGXMOMQCSZMJ-WFASDCNBSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1ccc2ncc(C[NH2+][C@@H]3C[C@@H](C)Oc4ccccc43)n2c1 ZINC000295067922 334217033 /nfs/dbraw/zinc/21/70/33/334217033.db2.gz PAINSYGCDXAYBS-RHSMWYFYSA-N 2 0 307.397 3.645 20 0 DHADRP c1ccc2c(c1)cccc2OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415082277 334273241 /nfs/dbraw/zinc/27/32/41/334273241.db2.gz DBHBUCSUCJTKST-AQNXPRMDSA-N 2 0 324.468 3.729 20 0 DHADRP C[C@@H](CC[NH2+]C[C@@]1(C)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415086299 334273309 /nfs/dbraw/zinc/27/33/09/334273309.db2.gz JKSHVUWSACYESP-XJKSGUPXSA-N 2 0 314.395 3.788 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+]CCC[C@H]3CCC[NH2+]3)s2)cc1 ZINC000414975590 334222307 /nfs/dbraw/zinc/22/23/07/334222307.db2.gz OVTCVQXGMHBFDY-INIZCTEOSA-N 2 0 315.486 3.740 20 0 DHADRP FC(F)Oc1ccc(Cl)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414983307 334226998 /nfs/dbraw/zinc/22/69/98/334226998.db2.gz ZJIBPNLHCBJVFZ-ZDUSSCGKSA-N 2 0 318.795 3.563 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000414991214 334230843 /nfs/dbraw/zinc/23/08/43/334230843.db2.gz ATDALXHXHUUMSE-CABCVRRESA-N 2 0 321.896 3.547 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414992461 334231147 /nfs/dbraw/zinc/23/11/47/334231147.db2.gz KMRDOVCBWSAJIB-SWLSCSKDSA-N 2 0 319.449 3.556 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1OC(F)F ZINC000415086547 334275163 /nfs/dbraw/zinc/27/51/63/334275163.db2.gz RVLWJMAZPXKXSJ-YDHLFZDLSA-N 2 0 312.404 3.717 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000415007952 334250444 /nfs/dbraw/zinc/25/04/44/334250444.db2.gz RZNKVCXLNDLMPU-TWKWOARYSA-N 2 0 304.453 3.687 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000187847500 334275794 /nfs/dbraw/zinc/27/57/94/334275794.db2.gz DFPHJCONJKZDFK-CQSZACIVSA-N 2 0 311.404 3.855 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3c2NCC3)CC1 ZINC000415087886 334275974 /nfs/dbraw/zinc/27/59/74/334275974.db2.gz VOQXYKYBFPZMJM-UHFFFAOYSA-N 2 0 315.505 3.502 20 0 DHADRP Fc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1Cl ZINC000415011945 334258301 /nfs/dbraw/zinc/25/83/01/334258301.db2.gz RORGVNSWPPXRKM-WCQYABFASA-N 2 0 317.235 3.610 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000415049750 334259137 /nfs/dbraw/zinc/25/91/37/334259137.db2.gz YBIRGVPOAHOYNC-ZBFHGGJFSA-N 2 0 314.395 3.745 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415021797 334259509 /nfs/dbraw/zinc/25/95/09/334259509.db2.gz KRESLDQYOPBDKA-ATZDWAIDSA-N 2 0 304.478 3.827 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415026582 334259912 /nfs/dbraw/zinc/25/99/12/334259912.db2.gz USRCQVQGYQGOTJ-MRXNPFEDSA-N 2 0 312.457 3.888 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000415027859 334259988 /nfs/dbraw/zinc/25/99/88/334259988.db2.gz BSSZMZXARHEJGO-WBVHZDCISA-N 2 0 314.404 3.835 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000415028414 334260055 /nfs/dbraw/zinc/26/00/55/334260055.db2.gz CSRYRNRXFRPUAX-WFASDCNBSA-N 2 0 304.434 3.771 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415029931 334260107 /nfs/dbraw/zinc/26/01/07/334260107.db2.gz FCFTXBADXDVSEE-LQJIQPLVSA-N 2 0 316.489 3.827 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000415028928 334260132 /nfs/dbraw/zinc/26/01/32/334260132.db2.gz ZFUUMNITDKHPGB-ZDUSSCGKSA-N 2 0 320.383 3.974 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415038513 334260787 /nfs/dbraw/zinc/26/07/87/334260787.db2.gz HWGWHJKRRAZSMD-RHSMWYFYSA-N 2 0 300.471 3.865 20 0 DHADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000415041747 334261057 /nfs/dbraw/zinc/26/10/57/334261057.db2.gz LQNRRDRNHHJZIM-SFTDATJTSA-N 2 0 321.468 3.713 20 0 DHADRP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c(Cl)c1 ZINC000415055880 334261621 /nfs/dbraw/zinc/26/16/21/334261621.db2.gz PFCWSFGWOKJMTG-GOSISDBHSA-N 2 0 318.848 3.918 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000415055405 334261702 /nfs/dbraw/zinc/26/17/02/334261702.db2.gz OTQOEDGNSPFGSJ-FQEVSTJZSA-N 2 0 324.468 3.624 20 0 DHADRP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)s2)cc1 ZINC000415054055 334261811 /nfs/dbraw/zinc/26/18/11/334261811.db2.gz LITAONYVOSKJQP-RDTXWAMCSA-N 2 0 315.486 3.535 20 0 DHADRP c1ccc(OCCCCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415060112 334261923 /nfs/dbraw/zinc/26/19/23/334261923.db2.gz XXNWDHGBQROBAT-QUCCMNQESA-N 2 0 316.489 3.700 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000415058529 334261996 /nfs/dbraw/zinc/26/19/96/334261996.db2.gz TXZXIYJJEJDPNJ-IBGZPJMESA-N 2 0 320.440 3.647 20 0 DHADRP C[C@H](CC[NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415093222 334280292 /nfs/dbraw/zinc/28/02/92/334280292.db2.gz UTUNIZMSNCYGOF-CYBMUJFWSA-N 2 0 314.395 3.788 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000415094757 334280740 /nfs/dbraw/zinc/28/07/40/334280740.db2.gz YEQUTIYQINNEDV-XLIONFOSSA-N 2 0 308.469 3.939 20 0 DHADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000415095055 334280891 /nfs/dbraw/zinc/28/08/91/334280891.db2.gz YSZBBKGNYYKRKX-OIISXLGYSA-N 2 0 310.844 3.532 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000415114313 334283767 /nfs/dbraw/zinc/28/37/67/334283767.db2.gz XITOTSOFOFJCHX-MJBXVCDLSA-N 2 0 314.395 3.787 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCC3CCCCC3)CC2)C1 ZINC000415120818 334284353 /nfs/dbraw/zinc/28/43/53/334284353.db2.gz HCDSNEYHLHEAQG-RTBURBONSA-N 2 0 308.510 3.565 20 0 DHADRP C[C@H](CC1CCCCC1)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415128141 334285402 /nfs/dbraw/zinc/28/54/02/334285402.db2.gz RTCFRDKBJKHRPJ-UXPWSPDFSA-N 2 0 322.537 3.811 20 0 DHADRP CC[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000531949495 334303618 /nfs/dbraw/zinc/30/36/18/334303618.db2.gz DWMBNPHAMPVADQ-DLBZAZTESA-N 2 0 318.505 3.931 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C(C)C ZINC000531949669 334303800 /nfs/dbraw/zinc/30/38/00/334303800.db2.gz RYQQFJILZPQFED-HXUWFJFHSA-N 2 0 318.505 3.931 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000531962005 334312426 /nfs/dbraw/zinc/31/24/26/334312426.db2.gz KUEKSKZEQOGWFZ-OXJNMPFZSA-N 2 0 310.441 3.909 20 0 DHADRP c1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000303721480 334329722 /nfs/dbraw/zinc/32/97/22/334329722.db2.gz RTWUOGVTOKZDNI-FQEVSTJZSA-N 2 0 300.490 3.817 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000049554459 334349924 /nfs/dbraw/zinc/34/99/24/334349924.db2.gz HBYJDBVMEPAEFY-CYBMUJFWSA-N 2 0 306.450 3.984 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000531979614 334350713 /nfs/dbraw/zinc/35/07/13/334350713.db2.gz UCZADAXTEYGQJY-GJZGRUSLSA-N 2 0 318.427 3.819 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534973439 334351239 /nfs/dbraw/zinc/35/12/39/334351239.db2.gz ROXKLNUBTHRYTK-FZKQIMNGSA-N 2 0 304.865 3.791 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000535083206 334366691 /nfs/dbraw/zinc/36/66/91/334366691.db2.gz QVIUGHZJHHZDSL-UHFFFAOYSA-N 2 0 311.473 3.787 20 0 DHADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342822056 334581184 /nfs/dbraw/zinc/58/11/84/334581184.db2.gz FGSCMVQYEWRYIA-JKSUJKDBSA-N 2 0 304.478 3.684 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000188169186 334661121 /nfs/dbraw/zinc/66/11/21/334661121.db2.gz YBHWQOMSPLWBTG-PMACEKPBSA-N 2 0 300.490 3.959 20 0 DHADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(Br)c1 ZINC000051694250 334801202 /nfs/dbraw/zinc/80/12/02/334801202.db2.gz UZBDMAYIXNOTSX-NRXISQOPSA-N 2 0 311.267 3.760 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)C[NH+](C)C)cc1F ZINC000425954680 334820415 /nfs/dbraw/zinc/82/04/15/334820415.db2.gz WOSYGIVPTCOKQH-QILLFSRXSA-N 2 0 322.468 3.648 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000344310819 335239716 /nfs/dbraw/zinc/23/97/16/335239716.db2.gz WJUCHQLBHWLUCQ-AWEZNQCLSA-N 2 0 313.470 3.723 20 0 DHADRP COC1CCC(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000344607720 335263537 /nfs/dbraw/zinc/26/35/37/335263537.db2.gz XBQDZWDZEGTWHB-BXXUTWAOSA-N 2 0 316.489 3.617 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000344706126 335274169 /nfs/dbraw/zinc/27/41/69/335274169.db2.gz XURNXRWPOHROHU-OAQYLSRUSA-N 2 0 324.468 3.924 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000344706119 335274194 /nfs/dbraw/zinc/27/41/94/335274194.db2.gz XURNXRWPOHROHU-NRFANRHFSA-N 2 0 324.468 3.924 20 0 DHADRP CC(C)[NH+](CC1(C[N@@H+](C(C)C)C2CCC2)COC1)C1CCC1 ZINC000345434764 335329670 /nfs/dbraw/zinc/32/96/70/335329670.db2.gz JVASOYCIWFZIPY-UHFFFAOYSA-N 2 0 308.510 3.529 20 0 DHADRP CC[C@@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)[NH+](CC)CC ZINC000345799590 335352113 /nfs/dbraw/zinc/35/21/13/335352113.db2.gz NZVBDXSRRWXZFA-SFHVURJKSA-N 2 0 319.493 3.587 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000346463642 335409752 /nfs/dbraw/zinc/40/97/52/335409752.db2.gz QEEQVUMGPDLWRA-PXNSSMCTSA-N 2 0 316.489 3.576 20 0 DHADRP c1cncc(-c2cccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c2)c1 ZINC000347158870 335474545 /nfs/dbraw/zinc/47/45/45/335474545.db2.gz FSIVBBSPZSHGAP-NRFANRHFSA-N 2 0 321.468 3.713 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000348053710 335548774 /nfs/dbraw/zinc/54/87/74/335548774.db2.gz HZNPUMHPNPHLOB-LJCCNALRSA-N 2 0 316.489 3.574 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(OC(F)(F)F)c1 ZINC000519402084 335844260 /nfs/dbraw/zinc/84/42/60/335844260.db2.gz XIGYHIGPTSNPPR-GFCCVEGCSA-N 2 0 324.346 3.895 20 0 DHADRP c1ccc([C@H]2C[C@@H]2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000417955219 336031147 /nfs/dbraw/zinc/03/11/47/336031147.db2.gz CUXKTWKSIOISGA-TZIWHRDSSA-N 2 0 321.468 3.691 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192437402 336032419 /nfs/dbraw/zinc/03/24/19/336032419.db2.gz HQZZFBMUTOBLBA-FUHWJXTLSA-N 2 0 318.505 3.653 20 0 DHADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c2ccccc12 ZINC000324098047 336083328 /nfs/dbraw/zinc/08/33/28/336083328.db2.gz OFBBZNGUBQQACQ-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP CSCc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000526107717 336125881 /nfs/dbraw/zinc/12/58/81/336125881.db2.gz VSLOXDJTOQTBPJ-UHFFFAOYSA-N 2 0 304.503 3.514 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000333342016 336202133 /nfs/dbraw/zinc/20/21/33/336202133.db2.gz YHTIGSRUVJJYOR-ZJPYXAASSA-N 2 0 301.478 3.523 20 0 DHADRP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352441075 336218939 /nfs/dbraw/zinc/21/89/39/336218939.db2.gz SIWPYNRYUXRVHE-YZGWKJHDSA-N 2 0 321.468 3.597 20 0 DHADRP CC[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000352651135 336228752 /nfs/dbraw/zinc/22/87/52/336228752.db2.gz DUMAWEBMTXTQJU-GOSISDBHSA-N 2 0 315.505 3.591 20 0 DHADRP CSc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000352808756 336243618 /nfs/dbraw/zinc/24/36/18/336243618.db2.gz DUQVOFMEHBREST-UHFFFAOYSA-N 2 0 324.490 3.961 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352835836 336272125 /nfs/dbraw/zinc/27/21/25/336272125.db2.gz LHULPMGPLKRVSK-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP Fc1ccc([C@H]2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000526992353 336278266 /nfs/dbraw/zinc/27/82/66/336278266.db2.gz QEDLGUYAPRXRTK-FXAWDEMLSA-N 2 0 316.464 3.926 20 0 DHADRP Fc1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000526992356 336278321 /nfs/dbraw/zinc/27/83/21/336278321.db2.gz QEDLGUYAPRXRTK-YLJYHZDGSA-N 2 0 316.464 3.926 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000352861452 336282025 /nfs/dbraw/zinc/28/20/25/336282025.db2.gz JZOPDSSWILNURR-LGMDPLHJSA-N 2 0 316.489 3.558 20 0 DHADRP FC(F)(F)c1cscc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000352862524 336282410 /nfs/dbraw/zinc/28/24/10/336282410.db2.gz OILSUARICITFKN-UHFFFAOYSA-N 2 0 318.408 3.731 20 0 DHADRP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000192922331 336284336 /nfs/dbraw/zinc/28/43/36/336284336.db2.gz SMCVINXEHTWQCO-KRWDZBQOSA-N 2 0 316.395 3.577 20 0 DHADRP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2cc(F)ccc2[nH+]1 ZINC000301656522 336321171 /nfs/dbraw/zinc/32/11/71/336321171.db2.gz AZUXAGBCRYCIGG-KSSFIOAISA-N 2 0 313.420 3.603 20 0 DHADRP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc2[nH+]1 ZINC000301770643 336328788 /nfs/dbraw/zinc/32/87/88/336328788.db2.gz IZTDUVUGGQHYKI-UZLBHIALSA-N 2 0 321.468 3.996 20 0 DHADRP CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000301775044 336328965 /nfs/dbraw/zinc/32/89/65/336328965.db2.gz GCHLEJIBQQGHHE-HNAYVOBHSA-N 2 0 309.457 3.718 20 0 DHADRP CCCc1cc(N2CC[C@@H](C[N@H+](C)CC)C2)c2ccccc2[nH+]1 ZINC000301797678 336330612 /nfs/dbraw/zinc/33/06/12/336330612.db2.gz QRUPVDVSBVWWON-INIZCTEOSA-N 2 0 311.473 3.965 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000302089451 336347938 /nfs/dbraw/zinc/34/79/38/336347938.db2.gz ORXGTXJORVTGIC-KRWDZBQOSA-N 2 0 309.457 3.916 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000302109864 336349007 /nfs/dbraw/zinc/34/90/07/336349007.db2.gz ZAPLCRWEVMCJQG-VQIMIIECSA-N 2 0 309.457 3.772 20 0 DHADRP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000302552110 336361411 /nfs/dbraw/zinc/36/14/11/336361411.db2.gz IRTGRJCWZROSNA-CTNGQTDRSA-N 2 0 321.468 3.881 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000110644738 336397068 /nfs/dbraw/zinc/39/70/68/336397068.db2.gz SALFFWOWIGNOMR-NEPJUHHUSA-N 2 0 311.267 3.569 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353653440 336432091 /nfs/dbraw/zinc/43/20/91/336432091.db2.gz ZBRPUDFDCSIFPY-HNNXBMFYSA-N 2 0 322.518 3.563 20 0 DHADRP COC1(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC000359762746 336686899 /nfs/dbraw/zinc/68/68/99/336686899.db2.gz AGKASVCQZJFOKX-UHFFFAOYSA-N 2 0 322.518 3.509 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000361915162 336777863 /nfs/dbraw/zinc/77/78/63/336777863.db2.gz UHHDXLRAHBLRER-UHFFFAOYSA-N 2 0 324.468 3.586 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000361927171 336778555 /nfs/dbraw/zinc/77/85/55/336778555.db2.gz RSIXYTVXOTWHIS-IRXDYDNUSA-N 2 0 312.885 3.738 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000582421351 336971895 /nfs/dbraw/zinc/97/18/95/336971895.db2.gz ZHGYLBVPXFHFKV-BYCMXARLSA-N 2 0 315.383 3.620 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000122301827 337003896 /nfs/dbraw/zinc/00/38/96/337003896.db2.gz VIYAHTQMVDBLHW-LJQANCHMSA-N 2 0 312.457 3.868 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2sc(CC)nc2C)CC1 ZINC000122649937 337017512 /nfs/dbraw/zinc/01/75/12/337017512.db2.gz QPFVPMHXAAVTSE-ZDUSSCGKSA-N 2 0 309.523 3.787 20 0 DHADRP C(CC[NH2+]C1CCC2(CCCO2)CC1)CC[NH+]1CCCCC1 ZINC000376417354 337033012 /nfs/dbraw/zinc/03/30/12/337033012.db2.gz YFSIKGKXOJZEJQ-UHFFFAOYSA-N 2 0 308.510 3.724 20 0 DHADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccnc2)CC3)cc1 ZINC000377194453 337048523 /nfs/dbraw/zinc/04/85/23/337048523.db2.gz AQQJDEFOUYMAQU-UHFFFAOYSA-N 2 0 321.468 3.570 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)[C@H]2c2cccs2)CS1 ZINC000377385952 337051528 /nfs/dbraw/zinc/05/15/28/337051528.db2.gz KMAYTPXNEVHSFI-YQFWSFKMSA-N 2 0 324.559 3.861 20 0 DHADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000377763566 337060428 /nfs/dbraw/zinc/06/04/28/337060428.db2.gz RILJHZDSKWUFGC-GHTZIAJQSA-N 2 0 319.452 3.951 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834083 337062137 /nfs/dbraw/zinc/06/21/37/337062137.db2.gz IYJDYHXVXBAHOO-LEWJYISDSA-N 2 0 321.468 3.665 20 0 DHADRP Fc1cccc(C2(NC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000378478745 337073867 /nfs/dbraw/zinc/07/38/67/337073867.db2.gz UPZSKGAGCLCYPI-UHFFFAOYSA-N 2 0 302.437 3.811 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515303 337074882 /nfs/dbraw/zinc/07/48/82/337074882.db2.gz GKDJXSXVHWAQNY-ORYQWCPZSA-N 2 0 324.468 3.523 20 0 DHADRP C[N@@H+](Cc1cc(Cl)cc2cccnc21)C[C@H]1CCC[NH+](C)C1 ZINC000172350615 337091252 /nfs/dbraw/zinc/09/12/52/337091252.db2.gz MFQBDBXKLUMJSX-AWEZNQCLSA-N 2 0 317.864 3.662 20 0 DHADRP Cc1nc2ccc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2s1 ZINC000582546160 337103177 /nfs/dbraw/zinc/10/31/77/337103177.db2.gz CUDTYRWGXUFKCS-WBVHZDCISA-N 2 0 315.486 3.711 20 0 DHADRP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000177248628 337154975 /nfs/dbraw/zinc/15/49/75/337154975.db2.gz PLMDFSPWOPEYRV-OAHLLOKOSA-N 2 0 307.397 3.732 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000178413249 337164548 /nfs/dbraw/zinc/16/45/48/337164548.db2.gz QZQDSXPVGDKQON-GJZGRUSLSA-N 2 0 317.502 3.864 20 0 DHADRP Cc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000180663667 337177080 /nfs/dbraw/zinc/17/70/80/337177080.db2.gz HZWMXENTBHVGBX-UHFFFAOYSA-N 2 0 307.507 3.540 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000183863515 337195040 /nfs/dbraw/zinc/19/50/40/337195040.db2.gz QRDQCEURIUHVPX-MRXNPFEDSA-N 2 0 324.468 3.703 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000583220734 337277679 /nfs/dbraw/zinc/27/76/79/337277679.db2.gz VAVKAZGOHUCAKB-PCCBWWKXSA-N 2 0 321.468 3.711 20 0 DHADRP CC(C)OC1CC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000189527986 337280095 /nfs/dbraw/zinc/28/00/95/337280095.db2.gz JHIOFNUCLYUACM-UHFFFAOYSA-N 2 0 322.518 3.506 20 0 DHADRP C[C@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)O1 ZINC000190654829 337289385 /nfs/dbraw/zinc/28/93/85/337289385.db2.gz IKGQDWYPAVHAIG-BWPNAZKDSA-N 2 0 316.489 3.539 20 0 DHADRP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192622560 337305857 /nfs/dbraw/zinc/30/58/57/337305857.db2.gz HTVZQVRQRLUYFE-YOEHRIQHSA-N 2 0 301.459 3.947 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1nc(-c2ccccc2)cs1 ZINC000583290381 337307350 /nfs/dbraw/zinc/30/73/50/337307350.db2.gz UDZHZPZCPDVQAM-YOEHRIQHSA-N 2 0 315.486 3.582 20 0 DHADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1Cl ZINC000192931829 337308612 /nfs/dbraw/zinc/30/86/12/337308612.db2.gz LMTJOKAEJFRXEA-WTXIUTQJSA-N 2 0 322.880 3.712 20 0 DHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000584439450 337325801 /nfs/dbraw/zinc/32/58/01/337325801.db2.gz WKXTZKSSCFOOEN-RNTKJRCOSA-N 2 0 324.415 3.764 20 0 DHADRP [NH3+]C1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CCCCCC1 ZINC000583740314 337327794 /nfs/dbraw/zinc/32/77/94/337327794.db2.gz HKFFJPLDGUMJLS-UHFFFAOYSA-N 2 0 309.457 3.890 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000583746881 337328572 /nfs/dbraw/zinc/32/85/72/337328572.db2.gz KOSPJEHZAUKMMW-CYBMUJFWSA-N 2 0 314.395 3.616 20 0 DHADRP COCCN(C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000584497191 337350286 /nfs/dbraw/zinc/35/02/86/337350286.db2.gz MYIYTMXUZLFUGU-HNNXBMFYSA-N 2 0 318.486 3.644 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420386942 337500464 /nfs/dbraw/zinc/50/04/64/337500464.db2.gz VJKKOVIFYXQFQX-XWIAVFTESA-N 2 0 322.880 3.619 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000420406336 337500704 /nfs/dbraw/zinc/50/07/04/337500704.db2.gz NRIWYCKGEUKTGN-IAGOWNOFSA-N 2 0 300.471 3.539 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420402645 337500747 /nfs/dbraw/zinc/50/07/47/337500747.db2.gz KDRKQWINOFYTJD-LRDDRELGSA-N 2 0 312.379 3.746 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000571762763 337575482 /nfs/dbraw/zinc/57/54/82/337575482.db2.gz LHIOAEVCSVRFRF-OALUTQOASA-N 2 0 309.457 3.665 20 0 DHADRP C[C@@H](C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000527111147 337600840 /nfs/dbraw/zinc/60/08/40/337600840.db2.gz BETSZHRFBBOFCC-AWEZNQCLSA-N 2 0 318.411 3.920 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1sccc1Br ZINC000572272704 337602124 /nfs/dbraw/zinc/60/21/24/337602124.db2.gz RRXFBCFCMJDAQY-JTQLQIEISA-N 2 0 317.296 3.551 20 0 DHADRP COc1nc2ccccc2cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000572344237 337612049 /nfs/dbraw/zinc/61/20/49/337612049.db2.gz SJQNYDGJMDYWTK-CQSZACIVSA-N 2 0 321.424 3.553 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000262023018 337614366 /nfs/dbraw/zinc/61/43/66/337614366.db2.gz YQIPFWQGBRFFEZ-UHFFFAOYSA-N 2 0 314.445 3.823 20 0 DHADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262091159 337615032 /nfs/dbraw/zinc/61/50/32/337615032.db2.gz AGPFQTSEBHQZEK-IBGZPJMESA-N 2 0 317.477 3.519 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000162577385 337640534 /nfs/dbraw/zinc/64/05/34/337640534.db2.gz WCOHKPHQYUERMW-NRFANRHFSA-N 2 0 324.468 3.713 20 0 DHADRP CCCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422686450 337683259 /nfs/dbraw/zinc/68/32/59/337683259.db2.gz AEEPLBRBTDPJMV-VAMGGRTRSA-N 2 0 316.489 3.624 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000422690479 337683360 /nfs/dbraw/zinc/68/33/60/337683360.db2.gz GIXRYHXPCBYSLD-YPMHNXCESA-N 2 0 303.837 3.914 20 0 DHADRP c1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422698934 337683515 /nfs/dbraw/zinc/68/35/15/337683515.db2.gz BVEWFAADFZKMCU-DFQSSKMNSA-N 2 0 309.457 3.635 20 0 DHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422707124 337683594 /nfs/dbraw/zinc/68/35/94/337683594.db2.gz VSQITINDBRXQPT-RCCFBDPRSA-N 2 0 318.892 3.882 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000422710901 337683728 /nfs/dbraw/zinc/68/37/28/337683728.db2.gz LVXVREXGVZCXME-RYGJVYDSSA-N 2 0 309.457 3.836 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000422729273 337684288 /nfs/dbraw/zinc/68/42/88/337684288.db2.gz KGMWGCNQGABICU-YMFLFHJQSA-N 2 0 303.494 3.960 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000422726616 337684292 /nfs/dbraw/zinc/68/42/92/337684292.db2.gz FOFJIGMHICBYAU-OUCADQQQSA-N 2 0 300.368 3.744 20 0 DHADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422727606 337684415 /nfs/dbraw/zinc/68/44/15/337684415.db2.gz HNXVRADDYDMVCJ-CWFSZBLJSA-N 2 0 323.484 3.850 20 0 DHADRP COc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1OC1CCCC1 ZINC000422737068 337684532 /nfs/dbraw/zinc/68/45/32/337684532.db2.gz XCERKGDHDIQAKD-OAHLLOKOSA-N 2 0 320.477 3.624 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000422738626 337684613 /nfs/dbraw/zinc/68/46/13/337684613.db2.gz JYRHPINPDNPXHN-GFCCVEGCSA-N 2 0 303.475 3.539 20 0 DHADRP Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)s1 ZINC000422761764 337685482 /nfs/dbraw/zinc/68/54/82/337685482.db2.gz MEZGZOQXGGARNX-WCQYABFASA-N 2 0 303.475 3.500 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1OCCC ZINC000422759416 337685526 /nfs/dbraw/zinc/68/55/26/337685526.db2.gz KCZQXNYZCQPMFX-HNNXBMFYSA-N 2 0 320.477 3.667 20 0 DHADRP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422773000 337685908 /nfs/dbraw/zinc/68/59/08/337685908.db2.gz ZZZITFCSZMOYRL-DOMZBBRYSA-N 2 0 318.383 3.500 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786021 337686609 /nfs/dbraw/zinc/68/66/09/337686609.db2.gz NZBRBCBAONTHET-NBYUQASBSA-N 2 0 316.489 3.665 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422801960 337687421 /nfs/dbraw/zinc/68/74/21/337687421.db2.gz CRWQTVCPOGANLT-LWYYNNOASA-N 2 0 316.489 3.583 20 0 DHADRP Clc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000422808112 337687516 /nfs/dbraw/zinc/68/75/16/337687516.db2.gz AHEZLJSZYATDAG-YIONKMFJSA-N 2 0 313.272 3.799 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422810177 337687701 /nfs/dbraw/zinc/68/77/01/337687701.db2.gz SZRSCKCYFUDRSQ-PBHICJAKSA-N 2 0 309.457 3.619 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422815449 337687861 /nfs/dbraw/zinc/68/78/61/337687861.db2.gz BTJRECLWVNHMOW-IVMMDQJWSA-N 2 0 307.507 3.564 20 0 DHADRP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841712 337688691 /nfs/dbraw/zinc/68/86/91/337688691.db2.gz WRMGXMSTJMVYSA-JSGCOSHPSA-N 2 0 318.383 3.580 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422840325 337688703 /nfs/dbraw/zinc/68/87/03/337688703.db2.gz BIYZOVGYNWRQFM-CQSZACIVSA-N 2 0 317.408 3.620 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422856768 337689142 /nfs/dbraw/zinc/68/91/42/337689142.db2.gz GCCJMAPMZWKBCB-ZEIJEMSESA-N 2 0 313.272 3.797 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422862852 337689216 /nfs/dbraw/zinc/68/92/16/337689216.db2.gz QNZYGIJXTJUPEY-HNNXBMFYSA-N 2 0 311.473 3.786 20 0 DHADRP C[C@@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)C1C[NH2+]C1 ZINC000422890936 337690281 /nfs/dbraw/zinc/69/02/81/337690281.db2.gz JOYQATIIBMOZHX-GOSISDBHSA-N 2 0 322.496 3.818 20 0 DHADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000422890221 337690298 /nfs/dbraw/zinc/69/02/98/337690298.db2.gz ROGCMNVVONCLSZ-CVEARBPZSA-N 2 0 311.473 3.747 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422904677 337690507 /nfs/dbraw/zinc/69/05/07/337690507.db2.gz HITJZYCOJJTNPH-ZDUSSCGKSA-N 2 0 300.833 3.705 20 0 DHADRP CCC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422905054 337690547 /nfs/dbraw/zinc/69/05/47/337690547.db2.gz HOQWIFNDXVSYPK-NHYWBVRUSA-N 2 0 300.368 3.744 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917608 337691224 /nfs/dbraw/zinc/69/12/24/337691224.db2.gz FFFWGHGXPYAWRZ-VBSBHUPXSA-N 2 0 316.489 3.663 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000422931614 337692092 /nfs/dbraw/zinc/69/20/92/337692092.db2.gz CASTYVIBTQMGQV-CYBMUJFWSA-N 2 0 304.384 3.771 20 0 DHADRP CC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422930863 337692094 /nfs/dbraw/zinc/69/20/94/337692094.db2.gz WIFAAYVNUHJZLI-YLJYHZDGSA-N 2 0 314.473 3.802 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000422930730 337692139 /nfs/dbraw/zinc/69/21/39/337692139.db2.gz VRJANMDCMYXEET-HXUWFJFHSA-N 2 0 312.457 3.506 20 0 DHADRP Clc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422943822 337692870 /nfs/dbraw/zinc/69/28/70/337692870.db2.gz LAHHMCQGXNTRBS-KZNAEPCWSA-N 2 0 306.881 3.783 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422951060 337694557 /nfs/dbraw/zinc/69/45/57/337694557.db2.gz XGUYMHIEBLNCNM-KKUMJFAQSA-N 2 0 308.466 3.651 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000422956664 337694745 /nfs/dbraw/zinc/69/47/45/337694745.db2.gz QBUQMFNOHCDRRF-NSHDSACASA-N 2 0 321.827 3.535 20 0 DHADRP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422962148 337695109 /nfs/dbraw/zinc/69/51/09/337695109.db2.gz DZSVELHIXATYEJ-SQGPQFPESA-N 2 0 324.424 3.503 20 0 DHADRP Cc1cccc([C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccn2)c1 ZINC000423020866 337695993 /nfs/dbraw/zinc/69/59/93/337695993.db2.gz CZVASNJPIOIUMZ-OUNSHVDWSA-N 2 0 309.457 3.587 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])CCC2 ZINC000423027646 337696267 /nfs/dbraw/zinc/69/62/67/337696267.db2.gz RSDDOMPFJYQLNH-QRKUABHPSA-N 2 0 316.489 3.529 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423032650 337696418 /nfs/dbraw/zinc/69/64/18/337696418.db2.gz WKYREXZBDMLSJZ-GFCCVEGCSA-N 2 0 319.276 3.617 20 0 DHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(Br)s1 ZINC000423055554 337697439 /nfs/dbraw/zinc/69/74/39/337697439.db2.gz DFHYAAXWDCGUSF-WHXUTIOJSA-N 2 0 317.296 3.679 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423062990 337697797 /nfs/dbraw/zinc/69/77/97/337697797.db2.gz VHXJCFLWMXLFSE-LLVKDONJSA-N 2 0 318.358 3.593 20 0 DHADRP CC1(C)CCC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423063025 337697869 /nfs/dbraw/zinc/69/78/69/337697869.db2.gz VIRTXQGXWIJNGE-KNBMTAEXSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423083258 337698614 /nfs/dbraw/zinc/69/86/14/337698614.db2.gz YLUGCBLTKCFPRC-VBSBHUPXSA-N 2 0 316.489 3.665 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423087536 337698777 /nfs/dbraw/zinc/69/87/77/337698777.db2.gz PRIAEHVCQITWNO-NXWXRZEISA-N 2 0 302.437 3.713 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423105963 337699736 /nfs/dbraw/zinc/69/97/36/337699736.db2.gz NXNOWHOMTIWXKE-LLVKDONJSA-N 2 0 309.866 3.681 20 0 DHADRP COCCC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423108017 337699991 /nfs/dbraw/zinc/69/99/91/337699991.db2.gz QLOIDINTFKSPDD-ZVZYQTTQSA-N 2 0 324.896 3.580 20 0 DHADRP COCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423113779 337700222 /nfs/dbraw/zinc/70/02/22/337700222.db2.gz ZBDFNXUDZYBVDI-XHDPSFHLSA-N 2 0 319.276 3.788 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423122259 337700491 /nfs/dbraw/zinc/70/04/91/337700491.db2.gz BZFXNFAZEOEAGK-GPFWEFOESA-N 2 0 302.437 3.582 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423128582 337700732 /nfs/dbraw/zinc/70/07/32/337700732.db2.gz LDJBAYXZZRCTIM-JLTOFOAXSA-N 2 0 309.457 3.693 20 0 DHADRP FC(F)(F)[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423138209 337701250 /nfs/dbraw/zinc/70/12/50/337701250.db2.gz SLKZHHLXRRFNJO-VFSICIBPSA-N 2 0 312.379 3.595 20 0 DHADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423166481 337702214 /nfs/dbraw/zinc/70/22/14/337702214.db2.gz ZIAIXRHRPXPMMN-ZTRFORPCSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423167577 337702221 /nfs/dbraw/zinc/70/22/21/337702221.db2.gz SKVMJNCROUCETO-UWIFEVILSA-N 2 0 306.881 3.954 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423200374 337703644 /nfs/dbraw/zinc/70/36/44/337703644.db2.gz MBBWYMOXCQJJAM-ZDUSSCGKSA-N 2 0 303.475 3.687 20 0 DHADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000423208509 337704014 /nfs/dbraw/zinc/70/40/14/337704014.db2.gz YVYKHNQAFQCUCE-IRXDYDNUSA-N 2 0 324.509 3.530 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423221979 337705526 /nfs/dbraw/zinc/70/55/26/337705526.db2.gz ZAAAASVJQAGTTA-DCAQKATOSA-N 2 0 317.296 3.549 20 0 DHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC[C@H](C)[NH3+])s2)cc1 ZINC000423226059 337705850 /nfs/dbraw/zinc/70/58/50/337705850.db2.gz PGTCEUDVVHSQQT-RYUDHWBXSA-N 2 0 319.474 3.515 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256545 337707671 /nfs/dbraw/zinc/70/76/71/337707671.db2.gz BYWBPUAKKUYDNJ-BEFAXECRSA-N 2 0 311.473 3.833 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000423254808 337707682 /nfs/dbraw/zinc/70/76/82/337707682.db2.gz ZODMRHDOLIRDOS-QGPMSJSTSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423255543 337707691 /nfs/dbraw/zinc/70/76/91/337707691.db2.gz CDQIUQFXHZAYKE-ILXRZTDVSA-N 2 0 317.502 3.768 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423272402 337708692 /nfs/dbraw/zinc/70/86/92/337708692.db2.gz KBJQOWZQVYQZMM-MNOVXSKESA-N 2 0 317.296 3.551 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423272403 337708702 /nfs/dbraw/zinc/70/87/02/337708702.db2.gz KBJQOWZQVYQZMM-QWRGUYRKSA-N 2 0 317.296 3.551 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423274302 337708889 /nfs/dbraw/zinc/70/88/89/337708889.db2.gz LUSPTWGEGZAQNX-DLBZAZTESA-N 2 0 312.457 3.772 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)cs1 ZINC000423278380 337709006 /nfs/dbraw/zinc/70/90/06/337709006.db2.gz PSHPWSUCKNYYHN-UMNHJUIQSA-N 2 0 317.296 3.679 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(OC)c1 ZINC000423293220 337710453 /nfs/dbraw/zinc/71/04/53/337710453.db2.gz QIGOZQKVPIIDND-KBPBESRZSA-N 2 0 314.429 3.574 20 0 DHADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](C)C[NH3+])CCC3)cc1 ZINC000423296122 337710734 /nfs/dbraw/zinc/71/07/34/337710734.db2.gz GEURHPMRICMBOB-DZGCQCFKSA-N 2 0 315.486 3.680 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423306829 337711301 /nfs/dbraw/zinc/71/13/01/337711301.db2.gz MBCBBHSZDFEVPX-UXIGCNINSA-N 2 0 300.368 3.526 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423337990 337712646 /nfs/dbraw/zinc/71/26/46/337712646.db2.gz UQGKMKVPHDPBPJ-YVEFUNNKSA-N 2 0 309.523 3.789 20 0 DHADRP CC1(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423338803 337712696 /nfs/dbraw/zinc/71/26/96/337712696.db2.gz UYSQIHUDXONQEI-DOTOQJQBSA-N 2 0 306.881 3.955 20 0 DHADRP CC1(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423341866 337713118 /nfs/dbraw/zinc/71/31/18/337713118.db2.gz WYLINCYZTBUTGL-DOTOQJQBSA-N 2 0 306.881 3.955 20 0 DHADRP CC1(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423341868 337713119 /nfs/dbraw/zinc/71/31/19/337713119.db2.gz WYLINCYZTBUTGL-NVXWUHKLSA-N 2 0 306.881 3.955 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCS2 ZINC000423351614 337713484 /nfs/dbraw/zinc/71/34/84/337713484.db2.gz ZJEQUZLDHFTRGJ-SJLPKXTDSA-N 2 0 304.503 3.820 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCS2 ZINC000423351613 337713528 /nfs/dbraw/zinc/71/35/28/337713528.db2.gz ZJEQUZLDHFTRGJ-FUHWJXTLSA-N 2 0 304.503 3.820 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H](C)c1nc2ccccc2s1 ZINC000423356645 337714034 /nfs/dbraw/zinc/71/40/34/337714034.db2.gz HBCMDDGPNRFTPV-MGPQQGTHSA-N 2 0 303.475 3.520 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423369012 337715036 /nfs/dbraw/zinc/71/50/36/337715036.db2.gz DRAXKJYDXDOACT-UHTWSYAYSA-N 2 0 302.340 3.506 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000423398742 337715507 /nfs/dbraw/zinc/71/55/07/337715507.db2.gz VKCGNSOXNJSGLG-BZPMIXESSA-N 2 0 314.445 3.835 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000423407353 337716153 /nfs/dbraw/zinc/71/61/53/337716153.db2.gz ZYUWSPDFPDQWRR-FRQCXROJSA-N 2 0 302.462 3.786 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423377802 337717492 /nfs/dbraw/zinc/71/74/92/337717492.db2.gz KJSFJLKKTDVVLF-OWCLPIDISA-N 2 0 313.489 3.954 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423434019 337718902 /nfs/dbraw/zinc/71/89/02/337718902.db2.gz CWBMCAUNTJCXFZ-BBWFWOEESA-N 2 0 304.478 3.678 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000423434326 337718960 /nfs/dbraw/zinc/71/89/60/337718960.db2.gz XSAAYWVQKZUUBQ-MBOZVWFJSA-N 2 0 309.457 3.526 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H](C)CCCC[NH3+])cc1F ZINC000423437853 337719125 /nfs/dbraw/zinc/71/91/25/337719125.db2.gz QXKMNSYKVWFASD-UWWQBHOKSA-N 2 0 322.468 3.968 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H](C)CCC[NH3+] ZINC000423451971 337720039 /nfs/dbraw/zinc/72/00/39/337720039.db2.gz JBYRZKBSUMEEBH-LSDHHAIUSA-N 2 0 301.478 3.941 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000423459303 337720508 /nfs/dbraw/zinc/72/05/08/337720508.db2.gz LJFZZGLTBABIAA-XQQFMLRXSA-N 2 0 300.368 3.874 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCCC1 ZINC000423463417 337720626 /nfs/dbraw/zinc/72/06/26/337720626.db2.gz FXNKFWLAFBLRDB-UCLAIMLFSA-N 2 0 304.453 3.687 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@@H]1C ZINC000423467511 337720940 /nfs/dbraw/zinc/72/09/40/337720940.db2.gz JCWYYBPIAVNNPC-PKEBMLEUSA-N 2 0 304.453 3.543 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423474240 337721463 /nfs/dbraw/zinc/72/14/63/337721463.db2.gz YYYDNCAOGYBSDG-MELADBBJSA-N 2 0 312.404 3.765 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2ccncc2)cc1 ZINC000423477225 337721729 /nfs/dbraw/zinc/72/17/29/337721729.db2.gz RTRYWISENPBMNW-TWOQFEAHSA-N 2 0 309.457 3.917 20 0 DHADRP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423478819 337721887 /nfs/dbraw/zinc/72/18/87/337721887.db2.gz LRAKZUPPVOWTDA-GDBMZVCRSA-N 2 0 312.404 3.861 20 0 DHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423486437 337722282 /nfs/dbraw/zinc/72/22/82/337722282.db2.gz SSXIVQBAKDVBLU-DOMZBBRYSA-N 2 0 310.894 3.999 20 0 DHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)cs1 ZINC000423491461 337722674 /nfs/dbraw/zinc/72/26/74/337722674.db2.gz ZBRODNJRONVHTL-ZYHUDNBSSA-N 2 0 317.296 3.693 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cs2)cs1 ZINC000423495697 337722922 /nfs/dbraw/zinc/72/29/22/337722922.db2.gz UZOZKOYHKCIOGS-SUHUHFCYSA-N 2 0 321.515 3.958 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423497313 337723055 /nfs/dbraw/zinc/72/30/55/337723055.db2.gz YRRXJKGLBMOXDN-WDYCEAGBSA-N 2 0 304.478 3.890 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423541562 337725229 /nfs/dbraw/zinc/72/52/29/337725229.db2.gz SECNRNKZZDDQSF-IBGZPJMESA-N 2 0 314.473 3.923 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000423544711 337725360 /nfs/dbraw/zinc/72/53/60/337725360.db2.gz IVQFVUXSWVJZFZ-NZKYLMMGSA-N 2 0 318.892 3.954 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423547362 337725422 /nfs/dbraw/zinc/72/54/22/337725422.db2.gz PVCQYASBNQBZQW-PMOUVXMZSA-N 2 0 307.507 3.614 20 0 DHADRP C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000536836544 337735969 /nfs/dbraw/zinc/73/59/69/337735969.db2.gz BEFYUYJBLVOYAF-MRXNPFEDSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000536848257 337744310 /nfs/dbraw/zinc/74/43/10/337744310.db2.gz XBMMZJFEXCSCNS-NEWSRXKRSA-N 2 0 320.521 3.721 20 0 DHADRP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527846576 337768438 /nfs/dbraw/zinc/76/84/38/337768438.db2.gz FUWIJSCLSYSDJF-IBGZPJMESA-N 2 0 300.490 3.862 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424296818 337816982 /nfs/dbraw/zinc/81/69/82/337816982.db2.gz FZNKGDCUYHVIMW-VTYCOLDWSA-N 2 0 322.537 3.680 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093688714 337920204 /nfs/dbraw/zinc/92/02/04/337920204.db2.gz STTDRKSXFJRSPA-UHFFFAOYSA-N 2 0 321.534 3.964 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000515634047 337994075 /nfs/dbraw/zinc/99/40/75/337994075.db2.gz GXWMBKREYXQNAR-HNNXBMFYSA-N 2 0 311.473 3.865 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000425923939 338019002 /nfs/dbraw/zinc/01/90/02/338019002.db2.gz MFFWCFVYWMQJIU-BBRMVZONSA-N 2 0 300.437 3.664 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000426303278 338025777 /nfs/dbraw/zinc/02/57/77/338025777.db2.gz LZKBFAKWIOIZCY-HKUYNNGSSA-N 2 0 302.506 3.901 20 0 DHADRP CC(C)c1nc(N(C)CCCn2ccnc2)cc(C(C)(C)C)n1 ZINC000433752932 338035686 /nfs/dbraw/zinc/03/56/86/338035686.db2.gz DLTFCEDYFCVQHF-UHFFFAOYSA-N 2 0 315.465 3.621 20 0 DHADRP COC1(C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000429370632 338078781 /nfs/dbraw/zinc/07/87/81/338078781.db2.gz WMLCSLJVUQLTFY-KRWDZBQOSA-N 2 0 316.489 3.720 20 0 DHADRP COC1(C[C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCC1 ZINC000429516594 338082834 /nfs/dbraw/zinc/08/28/34/338082834.db2.gz LYXPXTMUENGTKM-KRWDZBQOSA-N 2 0 318.505 3.964 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)CC1 ZINC000429530733 338083137 /nfs/dbraw/zinc/08/31/37/338083137.db2.gz UASYLVHPJNHCSR-MRXNPFEDSA-N 2 0 310.869 3.525 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(-c4ccccc4)cs3)C2)C1 ZINC000430149323 338099380 /nfs/dbraw/zinc/09/93/80/338099380.db2.gz MYBYDDBPVDVEKW-IBGZPJMESA-N 2 0 312.482 3.943 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000430930798 338118986 /nfs/dbraw/zinc/11/89/86/338118986.db2.gz UKNLATSQJODHIY-UHFFFAOYSA-N 2 0 314.404 3.661 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000431333298 338128184 /nfs/dbraw/zinc/12/81/84/338128184.db2.gz NFAKMSXRBVGMOV-SFHVURJKSA-N 2 0 304.478 3.955 20 0 DHADRP CCC[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432360299 338154107 /nfs/dbraw/zinc/15/41/07/338154107.db2.gz VRXYFHSPIAHODX-AZUAARDMSA-N 2 0 318.505 3.661 20 0 DHADRP CC(C)[C@H]1CC[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)C[C@H]1C ZINC000432366521 338154225 /nfs/dbraw/zinc/15/42/25/338154225.db2.gz BEJCMXQYSITRPW-NCXUSEDFSA-N 2 0 310.526 3.538 20 0 DHADRP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000432412668 338155419 /nfs/dbraw/zinc/15/54/19/338155419.db2.gz CTPMJUHEMLNCAT-HKUYNNGSSA-N 2 0 304.478 3.618 20 0 DHADRP C[N@@H+](Cc1ccc(C(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000432745362 338165771 /nfs/dbraw/zinc/16/57/71/338165771.db2.gz BJTQENNIKZZIMV-UHFFFAOYSA-N 2 0 306.397 3.541 20 0 DHADRP CCc1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000433056843 338179117 /nfs/dbraw/zinc/17/91/17/338179117.db2.gz JENRVVFEBHBPDR-HXUWFJFHSA-N 2 0 300.490 3.914 20 0 DHADRP CC[N@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435389485 338238712 /nfs/dbraw/zinc/23/87/12/338238712.db2.gz KPZYOJAYTOYIHS-FQEVSTJZSA-N 2 0 309.457 3.713 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000435395878 338238985 /nfs/dbraw/zinc/23/89/85/338238985.db2.gz VOSUMCYWPLKRIM-SFHVURJKSA-N 2 0 324.468 3.794 20 0 DHADRP c1ccc(CCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435619456 338243743 /nfs/dbraw/zinc/24/37/43/338243743.db2.gz USEFAEOHPRAYMM-NRFANRHFSA-N 2 0 323.484 3.659 20 0 DHADRP CCN(Cc1csc(-c2ccc(C)o2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435625800 338243868 /nfs/dbraw/zinc/24/38/68/338243868.db2.gz MSFSDNPMGHEPGM-HNNXBMFYSA-N 2 0 319.474 3.676 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)CC1CCOCC1 ZINC000435731580 338246651 /nfs/dbraw/zinc/24/66/51/338246651.db2.gz LXCABKFHONWQGO-YLJYHZDGSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000437343226 338307434 /nfs/dbraw/zinc/30/74/34/338307434.db2.gz CGCVTAHBMVKHSM-FQEVSTJZSA-N 3 0 315.505 3.709 20 0 DHADRP C[NH+](C)CCC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000437688618 338318293 /nfs/dbraw/zinc/31/82/93/338318293.db2.gz AVHSBZSUYZHEPC-UHFFFAOYSA-N 2 0 318.505 3.899 20 0 DHADRP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000438100036 338331413 /nfs/dbraw/zinc/33/14/13/338331413.db2.gz YHYVESADGKAGOO-APWZRJJASA-N 2 0 304.453 3.880 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000438117886 338333073 /nfs/dbraw/zinc/33/30/73/338333073.db2.gz MLDJSXHVJTWEJK-GIVPXCGWSA-N 2 0 312.501 3.915 20 0 DHADRP Cc1ccc2cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)ccc2n1 ZINC000438187199 338335633 /nfs/dbraw/zinc/33/56/33/338335633.db2.gz PLURDEBIIALKSD-IBGZPJMESA-N 2 0 313.489 3.999 20 0 DHADRP CN(CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000438203824 338336450 /nfs/dbraw/zinc/33/64/50/338336450.db2.gz RLMLFRNZAFHCHM-KGLIPLIRSA-N 2 0 306.416 3.962 20 0 DHADRP c1cc(C[NH2+]CC[C@H]2CCOC2)cc(C[NH+]2CCCCCC2)c1 ZINC000438209769 338336748 /nfs/dbraw/zinc/33/67/48/338336748.db2.gz SYYCXGVKMDPXHI-SFHVURJKSA-N 2 0 316.489 3.579 20 0 DHADRP Fc1ccc([C@H]2CCC[C@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446890806 338539862 /nfs/dbraw/zinc/53/98/62/338539862.db2.gz PLVBDWOBSIOWJY-WOJBJXKFSA-N 2 0 316.464 3.926 20 0 DHADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(-c2ccccc2)c1 ZINC000447593331 338560569 /nfs/dbraw/zinc/56/05/69/338560569.db2.gz RDJOUGUPUSTFKA-QGZVFWFLSA-N 2 0 312.457 3.582 20 0 DHADRP C[C@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000447794966 338566572 /nfs/dbraw/zinc/56/65/72/338566572.db2.gz LGZODJNKXBUUIY-GOSISDBHSA-N 2 0 300.490 3.988 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc2cccnc2o1 ZINC000449068028 338590170 /nfs/dbraw/zinc/59/01/70/338590170.db2.gz QDTMVTHPRVVORJ-UHFFFAOYSA-N 2 0 323.440 3.959 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449068542 338590219 /nfs/dbraw/zinc/59/02/19/338590219.db2.gz TXFDKPLEENGCQT-INIZCTEOSA-N 2 0 300.446 3.842 20 0 DHADRP CCC[C@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449145169 338596777 /nfs/dbraw/zinc/59/67/77/338596777.db2.gz KRTOZODMQUROCY-IBGZPJMESA-N 2 0 312.542 3.806 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000449171436 338598970 /nfs/dbraw/zinc/59/89/70/338598970.db2.gz AFQCKSZEKVOBRA-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000449182103 338599977 /nfs/dbraw/zinc/59/99/77/338599977.db2.gz BXSGIGVNGWVHLT-XUVXKRRUSA-N 2 0 322.537 3.703 20 0 DHADRP CC[C@H](CSC)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449207338 338602436 /nfs/dbraw/zinc/60/24/36/338602436.db2.gz QWBYBKPEXYYFJB-SJLPKXTDSA-N 2 0 320.546 3.813 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000449403692 338621395 /nfs/dbraw/zinc/62/13/95/338621395.db2.gz RBLIEONQHRDNGO-DKKFBQAASA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000453075327 338790752 /nfs/dbraw/zinc/79/07/52/338790752.db2.gz HLTKZUZFNWLBKU-HNNXBMFYSA-N 2 0 303.494 3.692 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccncc1 ZINC000453092332 338792821 /nfs/dbraw/zinc/79/28/21/338792821.db2.gz QIGJGOUAIOXXIR-FQEVSTJZSA-N 2 0 309.457 3.918 20 0 DHADRP c1csc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C2CC2)c1 ZINC000459397577 339027086 /nfs/dbraw/zinc/02/70/86/339027086.db2.gz XOWTWAGFCSLOSM-GOSISDBHSA-N 2 0 313.470 3.853 20 0 DHADRP CCCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459409625 339027645 /nfs/dbraw/zinc/02/76/45/339027645.db2.gz RDTLIIQUULVOQU-LPHOPBHVSA-N 2 0 301.478 3.999 20 0 DHADRP Cn1cncc1CC[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000459412641 339027684 /nfs/dbraw/zinc/02/76/84/339027684.db2.gz PSTMFDFGUZCQAS-HLRDLLSLSA-N 2 0 315.486 3.982 20 0 DHADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459434229 339028912 /nfs/dbraw/zinc/02/89/12/339028912.db2.gz HKHNJVVHBWITLG-YJBOKZPZSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1cccc([C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459438876 339029234 /nfs/dbraw/zinc/02/92/34/339029234.db2.gz SGYVZXAEIRKHJJ-QGZVFWFLSA-N 2 0 309.457 3.752 20 0 DHADRP Cn1cncc1CC[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000459519074 339033825 /nfs/dbraw/zinc/03/38/25/339033825.db2.gz SDGBWMWICVMNFG-KRWDZBQOSA-N 2 0 303.837 3.843 20 0 DHADRP CC(C)COc1cccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000459660373 339041204 /nfs/dbraw/zinc/04/12/04/339041204.db2.gz NZKJNZNHXIAYCC-UHFFFAOYSA-N 2 0 309.413 3.659 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000459670598 339042041 /nfs/dbraw/zinc/04/20/41/339042041.db2.gz UEVKDHJNDRKVHQ-SHUKQUCYSA-N 2 0 310.844 3.655 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000459722425 339044225 /nfs/dbraw/zinc/04/42/25/339044225.db2.gz BHWRUSBBLDLRNW-GFCCVEGCSA-N 2 0 318.358 3.666 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000459723566 339044324 /nfs/dbraw/zinc/04/43/24/339044324.db2.gz ADFQPKBUVXEXFM-SNVBAGLBSA-N 2 0 307.290 3.876 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000459730528 339044859 /nfs/dbraw/zinc/04/48/59/339044859.db2.gz KNAXFTDFWMILHI-ZDUSSCGKSA-N 2 0 321.515 3.693 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459731988 339044922 /nfs/dbraw/zinc/04/49/22/339044922.db2.gz LRJYJXRQQFOWGO-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459731986 339045055 /nfs/dbraw/zinc/04/50/55/339045055.db2.gz LRJYJXRQQFOWGO-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP CC(C)COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459732668 339045059 /nfs/dbraw/zinc/04/50/59/339045059.db2.gz MMJKRTUZMQPTSF-SFHVURJKSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750235 339086665 /nfs/dbraw/zinc/08/66/65/339086665.db2.gz NBQMLBJFKPVJDE-DLBZAZTESA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000462750875 339086903 /nfs/dbraw/zinc/08/69/03/339086903.db2.gz RQMRVIGLVYNHNO-PKOBYXMFSA-N 2 0 318.505 3.728 20 0 DHADRP CC[NH+](CC)CC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000462789353 339088709 /nfs/dbraw/zinc/08/87/09/339088709.db2.gz LGTUXAGBYGHLEI-UHFFFAOYSA-N 2 0 315.436 3.932 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000463081075 339104980 /nfs/dbraw/zinc/10/49/80/339104980.db2.gz BFHNCTUHMGPJFA-SESVDKBCSA-N 2 0 312.501 3.986 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000463542024 339120827 /nfs/dbraw/zinc/12/08/27/339120827.db2.gz IOFQMNQRHCWEEZ-NZSAHSFTSA-N 2 0 300.490 3.890 20 0 DHADRP C[N@H+](CCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857085 339158342 /nfs/dbraw/zinc/15/83/42/339158342.db2.gz VKSUHJFECSTRTB-OAQYLSRUSA-N 2 0 308.469 3.683 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000467311811 339231287 /nfs/dbraw/zinc/23/12/87/339231287.db2.gz WNJRCMIMQICZGE-MRXNPFEDSA-N 2 0 320.452 3.720 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+](C)C ZINC000467382986 339235813 /nfs/dbraw/zinc/23/58/13/339235813.db2.gz CLJYKUSHIKACCV-CYBMUJFWSA-N 2 0 302.384 3.568 20 0 DHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+](C)C ZINC000467382987 339235877 /nfs/dbraw/zinc/23/58/77/339235877.db2.gz CLJYKUSHIKACCV-ZDUSSCGKSA-N 2 0 302.384 3.568 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000468041051 339252267 /nfs/dbraw/zinc/25/22/67/339252267.db2.gz SFAVKFLQRONAQQ-UMVBOHGHSA-N 2 0 306.416 3.960 20 0 DHADRP C[C@@H](CC1CCOCC1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000468387121 339261241 /nfs/dbraw/zinc/26/12/41/339261241.db2.gz DLJAPOSQHUDEKQ-SFHVURJKSA-N 2 0 322.537 3.970 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CCN1C ZINC000468556887 339266336 /nfs/dbraw/zinc/26/63/36/339266336.db2.gz XCTMLMJLUGMCDV-GSEOLPGOSA-N 2 0 300.490 3.860 20 0 DHADRP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@H]3C(C)C)CCCC2)CC1 ZINC000468556746 339266374 /nfs/dbraw/zinc/26/63/74/339266374.db2.gz UIIDFARDSDNAAH-RBUKOAKNSA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000468995480 339277141 /nfs/dbraw/zinc/27/71/41/339277141.db2.gz ODXOPDQIZVFUAE-PBHICJAKSA-N 2 0 308.897 3.938 20 0 DHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000469857218 339302904 /nfs/dbraw/zinc/30/29/04/339302904.db2.gz SLGVESJXSQEIMT-QWHCGFSZSA-N 2 0 304.434 3.723 20 0 DHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(OC(F)F)ccc2ccccc21 ZINC000469864068 339303171 /nfs/dbraw/zinc/30/31/71/339303171.db2.gz RCJUKABBZZHBFM-STQMWFEESA-N 2 0 320.383 3.610 20 0 DHADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C[C@H]12 ZINC000469871378 339303359 /nfs/dbraw/zinc/30/33/59/339303359.db2.gz RUCOLJBCENEEPY-XOKHGSTOSA-N 2 0 316.445 3.723 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000469881533 339303598 /nfs/dbraw/zinc/30/35/98/339303598.db2.gz PERUYLCWVAEUKJ-UHFFFAOYSA-N 2 0 315.505 3.599 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000469990688 339307115 /nfs/dbraw/zinc/30/71/15/339307115.db2.gz KMIPZOAOJGTQRR-UHFFFAOYSA-N 2 0 300.471 3.847 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000470258825 339315414 /nfs/dbraw/zinc/31/54/14/339315414.db2.gz MHBRTPIPKAPCAT-KBXIAJHMSA-N 2 0 306.416 3.675 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCOc2ccccc2)[C@@H](C)C1 ZINC000471220746 339340278 /nfs/dbraw/zinc/34/02/78/339340278.db2.gz PKVWBLRRTSENQU-PKOBYXMFSA-N 2 0 304.478 3.508 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCOc2ccccc2)[C@@H](C)C1 ZINC000471220743 339340319 /nfs/dbraw/zinc/34/03/19/339340319.db2.gz PKVWBLRRTSENQU-HKUYNNGSSA-N 2 0 304.478 3.508 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000472267208 339368264 /nfs/dbraw/zinc/36/82/64/339368264.db2.gz CLVPEDWZYGIIEO-CRAIPNDOSA-N 2 0 324.896 3.834 20 0 DHADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000472571738 339373887 /nfs/dbraw/zinc/37/38/87/339373887.db2.gz RRKKBSIUZZKYAH-MISYRCLQSA-N 2 0 300.490 3.814 20 0 DHADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000472569149 339373904 /nfs/dbraw/zinc/37/39/04/339373904.db2.gz YCRCGBWCZJJGPE-AYBZRNKSSA-N 2 0 304.453 3.878 20 0 DHADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH+]2C)c1 ZINC000472584798 339374404 /nfs/dbraw/zinc/37/44/04/339374404.db2.gz IVTRJHJBMXKGGZ-UYAOXDASSA-N 2 0 315.505 3.764 20 0 DHADRP CCSc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000473130176 339381560 /nfs/dbraw/zinc/38/15/60/339381560.db2.gz AFKYHIKZHXZRJU-UHFFFAOYSA-N 2 0 306.519 3.962 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC000474048991 339399153 /nfs/dbraw/zinc/39/91/53/339399153.db2.gz ZBMMFZJEHALSMI-GJZGRUSLSA-N 2 0 302.453 3.912 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000474052848 339399399 /nfs/dbraw/zinc/39/93/99/339399399.db2.gz NMNRQYVPUAENFK-GBESFXJTSA-N 2 0 310.526 3.683 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)C1 ZINC000474056526 339399701 /nfs/dbraw/zinc/39/97/01/339399701.db2.gz NPHVAVVRBONIEV-PWIZWCRZSA-N 2 0 320.521 3.578 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)C1 ZINC000474056518 339399749 /nfs/dbraw/zinc/39/97/49/339399749.db2.gz NPHVAVVRBONIEV-AHRSYUTCSA-N 2 0 320.521 3.578 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000474811246 339427557 /nfs/dbraw/zinc/42/75/57/339427557.db2.gz NXFKAMLNLDCAHC-FVELJTHGSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)cc[nH+]1 ZINC000478266561 339512157 /nfs/dbraw/zinc/51/21/57/339512157.db2.gz JPIQZMJBEUFTKC-UHFFFAOYSA-N 2 0 309.457 3.800 20 0 DHADRP COc1cc2c(N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc[nH+]c2cc1F ZINC000480063370 339557260 /nfs/dbraw/zinc/55/72/60/339557260.db2.gz SMFVWKJQRJWWCZ-CHWSQXEVSA-N 2 0 317.408 3.667 20 0 DHADRP COC1(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)CCCCC1 ZINC000480358690 339570544 /nfs/dbraw/zinc/57/05/44/339570544.db2.gz AYDLWUWOULRNKD-UHFFFAOYSA-N 2 0 310.526 3.683 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC000480670393 339582512 /nfs/dbraw/zinc/58/25/12/339582512.db2.gz PMEDYVCOWLVKOM-VNHYZAJKSA-N 2 0 306.416 3.818 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000481558996 339606552 /nfs/dbraw/zinc/60/65/52/339606552.db2.gz DZAILPQXLPGVFZ-HXUWFJFHSA-N 2 0 318.505 3.549 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C/C=C/c2ccncc2)cc1 ZINC000486930952 339738489 /nfs/dbraw/zinc/73/84/89/339738489.db2.gz DJPBHAILBZHUAE-AATRIKPKSA-N 2 0 309.457 3.726 20 0 DHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[NH+](C)C ZINC000501484077 340082146 /nfs/dbraw/zinc/08/21/46/340082146.db2.gz XCXWBGFDTUURDS-QBFSEMIESA-N 2 0 300.368 3.650 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000516583887 340085747 /nfs/dbraw/zinc/08/57/47/340085747.db2.gz KZAFYZNWGCNCAL-HBMCJLEFSA-N 2 0 308.469 3.872 20 0 DHADRP CC(C)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCCCCC1 ZINC000502269457 340098176 /nfs/dbraw/zinc/09/81/76/340098176.db2.gz ORVKPMODRYRVSL-MOPGFXCFSA-N 2 0 322.537 3.826 20 0 DHADRP COc1ccc2cc(C[N@H+](C)CC[C@@H]3CCC[NH+]3C)ccc2c1 ZINC000502694917 340110920 /nfs/dbraw/zinc/11/09/20/340110920.db2.gz UJBDKYGLVFMFIO-IBGZPJMESA-N 2 0 312.457 3.765 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000502725609 340112418 /nfs/dbraw/zinc/11/24/18/340112418.db2.gz XXXXOICSMOIJTE-SLFFLAALSA-N 2 0 322.537 3.826 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000502725615 340112493 /nfs/dbraw/zinc/11/24/93/340112493.db2.gz XXXXOICSMOIJTE-ZCNNSNEGSA-N 2 0 322.537 3.826 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000503037982 340119403 /nfs/dbraw/zinc/11/94/03/340119403.db2.gz UPUNRLKEDOULED-PZJWPPBQSA-N 2 0 324.468 3.520 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000503573402 340131265 /nfs/dbraw/zinc/13/12/65/340131265.db2.gz KKQGCWFGRRTCCJ-UYAOXDASSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCC[NH+](C)C ZINC000504926294 340156520 /nfs/dbraw/zinc/15/65/20/340156520.db2.gz HLKJGDSPYMCRGL-STQMWFEESA-N 2 0 302.384 3.739 20 0 DHADRP COc1ccccc1CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000505610852 340172882 /nfs/dbraw/zinc/17/28/82/340172882.db2.gz MECBKCXPKISXMK-UHFFFAOYSA-N 2 0 318.505 3.682 20 0 DHADRP COc1c(C)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000506337767 340192604 /nfs/dbraw/zinc/19/26/04/340192604.db2.gz CNGRCSQEWREWSZ-UHFFFAOYSA-N 2 0 304.478 3.617 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000506877119 340203117 /nfs/dbraw/zinc/20/31/17/340203117.db2.gz UGXJXHKBNSBFFD-WAYWQWQTSA-N 2 0 304.453 3.893 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000506889820 340203157 /nfs/dbraw/zinc/20/31/57/340203157.db2.gz ISDSPCRDJNCHEX-UHFFFAOYSA-N 2 0 317.521 3.697 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000506944489 340204056 /nfs/dbraw/zinc/20/40/56/340204056.db2.gz LQMPSPDVQBDIEX-UHFFFAOYSA-N 2 0 300.446 3.987 20 0 DHADRP CCC[C@H](C)[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000507000975 340205195 /nfs/dbraw/zinc/20/51/95/340205195.db2.gz GTXYPMBMFADAKX-KRWDZBQOSA-N 2 0 317.521 3.837 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000507952511 340236353 /nfs/dbraw/zinc/23/63/53/340236353.db2.gz RMLKMEBQYJGURV-OKYOBFRVSA-N 2 0 310.526 3.539 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000509721127 340277838 /nfs/dbraw/zinc/27/78/38/340277838.db2.gz UTDFLOANDJXVFI-LGMDPLHJSA-N 2 0 316.489 3.699 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000510122342 340289615 /nfs/dbraw/zinc/28/96/15/340289615.db2.gz VQIUBGWCRBXHEI-FSEPTYSPSA-N 2 0 316.489 3.558 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1 ZINC000510207302 340292585 /nfs/dbraw/zinc/29/25/85/340292585.db2.gz DNZOKZHVKMLBEB-ONEGZZNKSA-N 2 0 316.395 3.829 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000510343590 340296516 /nfs/dbraw/zinc/29/65/16/340296516.db2.gz AYFBYVCRNCQYML-QQFBHYJXSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000510655114 340305339 /nfs/dbraw/zinc/30/53/39/340305339.db2.gz GKRGQWNDSQLRKQ-QQFBHYJXSA-N 2 0 324.459 3.996 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000510668409 340305722 /nfs/dbraw/zinc/30/57/22/340305722.db2.gz IWEKTFSGPQDGGW-HLAWJBBLSA-N 2 0 312.501 3.719 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510753224 340309677 /nfs/dbraw/zinc/30/96/77/340309677.db2.gz QHJQUKAMHNOBOQ-HOTGVXAUSA-N 2 0 324.459 3.996 20 0 DHADRP CCCCN1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000510886068 340313824 /nfs/dbraw/zinc/31/38/24/340313824.db2.gz ARVSYGONGUFKOE-WMZOPIPTSA-N 2 0 304.478 3.567 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)CC3CCCC3)CC2)C1 ZINC000511036042 340318886 /nfs/dbraw/zinc/31/88/86/340318886.db2.gz ZOYLUUZXNXQFIV-UXPWSPDFSA-N 2 0 322.537 3.560 20 0 DHADRP C[C@H](CC[NH2+]C/C=C\c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000511937709 340343216 /nfs/dbraw/zinc/34/32/16/340343216.db2.gz JEQWMLMKLRURJX-IYKSTZQJSA-N 2 0 308.416 3.832 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000513207655 340397170 /nfs/dbraw/zinc/39/71/70/340397170.db2.gz CWLXIYUYQGLDEY-PKOBYXMFSA-N 2 0 322.537 3.704 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513234311 340398657 /nfs/dbraw/zinc/39/86/57/340398657.db2.gz VORVUWHSSRMIQH-RLLQIKCJSA-N 2 0 324.553 3.806 20 0 DHADRP COc1cccc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000175636133 340415964 /nfs/dbraw/zinc/41/59/64/340415964.db2.gz QKMKWYCMZWDSGP-MRXNPFEDSA-N 2 0 302.462 3.564 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000516917881 340458734 /nfs/dbraw/zinc/45/87/34/340458734.db2.gz SAVCTYQZEMOQIX-RBUKOAKNSA-N 2 0 316.489 3.554 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)CCC2 ZINC000521609740 340526167 /nfs/dbraw/zinc/52/61/67/340526167.db2.gz KUXOIQXDZHQSCZ-QRWLVFNGSA-N 2 0 309.457 3.885 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191102258 340550028 /nfs/dbraw/zinc/55/00/28/340550028.db2.gz LOBDZFJHMPAEIZ-CVEARBPZSA-N 2 0 308.514 3.934 20 0 DHADRP C[C@H](C[NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000237551259 340672061 /nfs/dbraw/zinc/67/20/61/340672061.db2.gz JUVQHTLHLUXULX-QGZVFWFLSA-N 2 0 312.457 3.520 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC(F)(F)C1 ZINC000529542292 340761624 /nfs/dbraw/zinc/76/16/24/340761624.db2.gz IXSRNMHLKXPZFJ-ZDUSSCGKSA-N 2 0 300.437 3.807 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000530207169 340782563 /nfs/dbraw/zinc/78/25/63/340782563.db2.gz CCDLQTSJGQAMTI-ZFCXZMRBSA-N 2 0 323.278 3.569 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC/C=C\c2ccc(Br)cc2)C1 ZINC000530214289 340782605 /nfs/dbraw/zinc/78/26/05/340782605.db2.gz XDABDAPRWCNTRJ-DWVOHPGLSA-N 2 0 323.278 3.712 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000538752478 340847962 /nfs/dbraw/zinc/84/79/62/340847962.db2.gz OERGOVZMCKVQKQ-QAPCUYQASA-N 2 0 304.478 3.957 20 0 DHADRP C[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539053331 340868167 /nfs/dbraw/zinc/86/81/67/340868167.db2.gz SLGOLHMPBNUENC-INIZCTEOSA-N 2 0 316.489 3.858 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000539407285 340884360 /nfs/dbraw/zinc/88/43/60/340884360.db2.gz UZFUQFNSWUROKJ-QGZVFWFLSA-N 2 0 318.505 3.853 20 0 DHADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000540172272 340920371 /nfs/dbraw/zinc/92/03/71/340920371.db2.gz XPQUFGLSJMXIJM-QRVBRYPASA-N 2 0 318.505 3.843 20 0 DHADRP C[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533378 341012431 /nfs/dbraw/zinc/01/24/31/341012431.db2.gz UXTWCWIUBUJKSI-ZIAGYGMSSA-N 2 0 306.416 3.962 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000130622189 341034048 /nfs/dbraw/zinc/03/40/48/341034048.db2.gz BNRFZVGVFZTBRM-MRXNPFEDSA-N 2 0 308.466 3.684 20 0 DHADRP C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cnc2ccsc2c1 ZINC000130656611 341037004 /nfs/dbraw/zinc/03/70/04/341037004.db2.gz WTPBTJFVVZTOOQ-CYBMUJFWSA-N 2 0 322.437 3.837 20 0 DHADRP C[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511039 341048147 /nfs/dbraw/zinc/04/81/47/341048147.db2.gz CBUXVMQEIMRLSD-KGLIPLIRSA-N 2 0 309.523 3.966 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543711095 341054692 /nfs/dbraw/zinc/05/46/92/341054692.db2.gz UBIKZFKQQXRAOT-KXBFYZLASA-N 2 0 302.437 3.693 20 0 DHADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000544407036 341080747 /nfs/dbraw/zinc/08/07/47/341080747.db2.gz CJSABYAQLYLIPK-QUCCMNQESA-N 2 0 300.490 3.816 20 0 DHADRP C[C@@H]1CC[N@H+](CCn2ccnc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000132644742 341135378 /nfs/dbraw/zinc/13/53/78/341135378.db2.gz GBRCVHRPRRYRFK-CJNGLKHVSA-N 2 0 323.362 3.985 20 0 DHADRP CC[NH+]1CCC([NH2+]CCn2c3ccccc3c3ccccc32)CC1 ZINC000546606426 341174505 /nfs/dbraw/zinc/17/45/05/341174505.db2.gz IJBHJGVDAKKWPW-UHFFFAOYSA-N 2 0 321.468 3.868 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000134165673 341208197 /nfs/dbraw/zinc/20/81/97/341208197.db2.gz SHIZQFLEOYVEGM-UHFFFAOYSA-N 2 0 320.525 3.651 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547395536 341210738 /nfs/dbraw/zinc/21/07/38/341210738.db2.gz QHEZLFRXPNLEJP-HNBVOPMISA-N 2 0 300.490 3.923 20 0 DHADRP C[NH+](C)Cc1cc(NC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000547398549 341211156 /nfs/dbraw/zinc/21/11/56/341211156.db2.gz WIPYRDOTUZNPCM-UHFFFAOYSA-N 2 0 321.896 3.688 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000134488601 341216244 /nfs/dbraw/zinc/21/62/44/341216244.db2.gz IGYGFNGGLHROHC-KRWDZBQOSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)CN1Cc1ccccc1 ZINC000237716854 341218682 /nfs/dbraw/zinc/21/86/82/341218682.db2.gz JTIREOUUTJOUMP-JXFKEZNVSA-N 2 0 319.452 3.921 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCCS1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547831391 341236084 /nfs/dbraw/zinc/23/60/84/341236084.db2.gz WTGJOVIUMFBMBV-YTQUADARSA-N 2 0 318.530 3.772 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000548155756 341250002 /nfs/dbraw/zinc/25/00/02/341250002.db2.gz QIBIQQYOMOKXHZ-PKOBYXMFSA-N 2 0 312.457 3.631 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840373 341304582 /nfs/dbraw/zinc/30/45/82/341304582.db2.gz ICRKSOFCEKZSRB-MRXNPFEDSA-N 2 0 313.272 3.911 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000245761430 341313948 /nfs/dbraw/zinc/31/39/48/341313948.db2.gz IOCSSOFLPHYVKJ-BBRMVZONSA-N 2 0 310.869 3.511 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(C(F)(F)F)c2)C1 ZINC000550574265 341318773 /nfs/dbraw/zinc/31/87/73/341318773.db2.gz XTMIKBXBNRZARP-GOEBONIOSA-N 2 0 312.379 3.622 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCCC23CCCC3)C[C@@H](C)O1 ZINC000550629085 341319949 /nfs/dbraw/zinc/31/99/49/341319949.db2.gz OJLOHALSBDDEKS-QRVBRYPASA-N 2 0 322.537 3.968 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1N(C)C ZINC000550883539 341325419 /nfs/dbraw/zinc/32/54/19/341325419.db2.gz WVMYNTAGINRLSX-INIZCTEOSA-N 2 0 321.484 3.808 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000551540172 341344885 /nfs/dbraw/zinc/34/48/85/341344885.db2.gz BPSDDNQJTVPACV-WOUAJJJCSA-N 2 0 316.489 3.509 20 0 DHADRP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246433583 341348725 /nfs/dbraw/zinc/34/87/25/341348725.db2.gz CTECLFZDMDUEPH-SLYNCCJLSA-N 2 0 312.501 3.956 20 0 DHADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246787138 341357071 /nfs/dbraw/zinc/35/70/71/341357071.db2.gz MDFYESNVJFSNIO-OGWOLHLISA-N 2 0 302.437 3.835 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000246822570 341357373 /nfs/dbraw/zinc/35/73/73/341357373.db2.gz AABWRRRDUBBGNA-BZUAXINKSA-N 2 0 324.896 3.880 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000246967329 341359159 /nfs/dbraw/zinc/35/91/59/341359159.db2.gz IYKUKRUIZGCRAH-JXFKEZNVSA-N 2 0 312.457 3.539 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC(F)F)cc1 ZINC000246981441 341359513 /nfs/dbraw/zinc/35/95/13/341359513.db2.gz IWFPDCOFQGPQTN-NWANDNLSSA-N 2 0 312.404 3.811 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSc2ccccc2F)[C@@H](C)C1 ZINC000247326852 341363480 /nfs/dbraw/zinc/36/34/80/341363480.db2.gz YDYPEVPPQLJOGE-HOCLYGCPSA-N 2 0 310.482 3.580 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247970763 341371746 /nfs/dbraw/zinc/37/17/46/341371746.db2.gz HHWYAMZVUOGJNC-GDBMZVCRSA-N 2 0 312.379 3.622 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000248041169 341372641 /nfs/dbraw/zinc/37/26/41/341372641.db2.gz SVWRTCNBGHSKOL-BXWFABGCSA-N 2 0 322.468 3.613 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143549 341373863 /nfs/dbraw/zinc/37/38/63/341373863.db2.gz PXICJSQTPRUXLI-FUHWJXTLSA-N 2 0 306.881 3.689 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143551 341373885 /nfs/dbraw/zinc/37/38/85/341373885.db2.gz PXICJSQTPRUXLI-SJLPKXTDSA-N 2 0 306.881 3.689 20 0 DHADRP CC(C)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248165980 341374207 /nfs/dbraw/zinc/37/42/07/341374207.db2.gz SYIMFDLVKSMTHR-DLBZAZTESA-N 2 0 324.534 3.662 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000552239907 341380548 /nfs/dbraw/zinc/38/05/48/341380548.db2.gz AEHCQRFSTOITNZ-AWEZNQCLSA-N 2 0 322.443 3.750 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H]2CCC[C@H]21 ZINC000552245213 341380895 /nfs/dbraw/zinc/38/08/95/341380895.db2.gz VDKOANJHALMKMF-DGADGQDISA-N 2 0 318.427 3.818 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1ccccc1Cl ZINC000552276164 341383304 /nfs/dbraw/zinc/38/33/04/341383304.db2.gz NOUXDTOGEFXPMD-YALNPMBYSA-N 2 0 322.880 3.570 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248660169 341383549 /nfs/dbraw/zinc/38/35/49/341383549.db2.gz ZIVJQYXHXIQWGD-QYZOEREBSA-N 2 0 318.505 3.515 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552283406 341384018 /nfs/dbraw/zinc/38/40/18/341384018.db2.gz BUEYQFRFGIRWEQ-LEAZDLGRSA-N 2 0 300.490 3.921 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000249376479 341396772 /nfs/dbraw/zinc/39/67/72/341396772.db2.gz KIPPFTXCEWQFDZ-SJORKVTESA-N 2 0 304.478 3.714 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000249465953 341398006 /nfs/dbraw/zinc/39/80/06/341398006.db2.gz GQFLJFAEAUQQBY-KYJSFNMBSA-N 2 0 306.881 3.860 20 0 DHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCC1CC1)c1ccccc1O2 ZINC000553491790 341430469 /nfs/dbraw/zinc/43/04/69/341430469.db2.gz PQIFHOZQZSADAV-GOSISDBHSA-N 2 0 314.473 3.754 20 0 DHADRP Clc1ccc([C@H]2CCC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000564791776 341509796 /nfs/dbraw/zinc/50/97/96/341509796.db2.gz DGZXEZWKZUZTHC-WMZOPIPTSA-N 2 0 306.881 3.955 20 0 DHADRP c1c[nH]c([C@H]([NH2+]CCCCC[NH+]2CCCC2)C2CCCCC2)n1 ZINC000566611172 341563112 /nfs/dbraw/zinc/56/31/12/341563112.db2.gz GUSVVVCFLSAWFJ-GOSISDBHSA-N 2 0 318.509 3.887 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000314949508 341653541 /nfs/dbraw/zinc/65/35/41/341653541.db2.gz MXZZEATVPWCKDE-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)CC[NH+](C)CC1 ZINC000568818168 341682546 /nfs/dbraw/zinc/68/25/46/341682546.db2.gz NACSIDDLMVHBSG-BPQIPLTHSA-N 2 0 318.530 3.596 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000575371652 341795539 /nfs/dbraw/zinc/79/55/39/341795539.db2.gz USBLLZRNUOIJEA-CYBMUJFWSA-N 2 0 312.910 3.818 20 0 DHADRP CC(C)[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000576934981 341870469 /nfs/dbraw/zinc/87/04/69/341870469.db2.gz ZDECPAKAIHYMRL-INIZCTEOSA-N 2 0 314.395 3.992 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000577267751 341901161 /nfs/dbraw/zinc/90/11/61/341901161.db2.gz BQIIJVNVRZYJPY-WFASDCNBSA-N 2 0 304.821 3.817 20 0 DHADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000577759187 341935043 /nfs/dbraw/zinc/93/50/43/341935043.db2.gz OEILRJGTUHXSBL-ROUUACIJSA-N 2 0 306.519 3.984 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000347913653 518173650 /nfs/dbraw/zinc/17/36/50/518173650.db2.gz ASHXNPKMEKIPTN-UHFFFAOYSA-N 2 0 304.503 3.658 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000337348217 519771156 /nfs/dbraw/zinc/77/11/56/519771156.db2.gz YTMIBTFGNVCNGE-GOSISDBHSA-N 2 0 318.505 3.822 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000354035296 520694352 /nfs/dbraw/zinc/69/43/52/520694352.db2.gz XBNRSHKIUFONTA-UHFFFAOYSA-N 2 0 318.505 3.626 20 0 DHADRP CCOCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180110148 521703564 /nfs/dbraw/zinc/70/35/64/521703564.db2.gz MLURAAPQHYFORM-IHWFROFDSA-N 2 0 316.489 3.588 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000156853138 521708143 /nfs/dbraw/zinc/70/81/43/521708143.db2.gz SVWRTCNBGHSKOL-JTDSTZFVSA-N 2 0 322.468 3.613 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129222854 521923686 /nfs/dbraw/zinc/92/36/86/521923686.db2.gz OSSFXGDTPVWWAF-JKSUJKDBSA-N 2 0 314.395 3.959 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337265181 524048440 /nfs/dbraw/zinc/04/84/40/524048440.db2.gz TYDJUFNFQXNPCU-RZMNMVRNSA-N 2 0 315.505 3.818 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337340777 524109233 /nfs/dbraw/zinc/10/92/33/524109233.db2.gz PSJSPMZXRNUXAV-GGPKGHCWSA-N 2 0 315.505 3.962 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccsc2S1 ZINC000336826933 525269083 /nfs/dbraw/zinc/26/90/83/525269083.db2.gz YKQFTJCDQCTQNA-TYNCELHUSA-N 2 0 308.516 3.747 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(SC(F)F)cc1 ZINC000268879328 525331967 /nfs/dbraw/zinc/33/19/67/525331967.db2.gz FHEMFCFBOKGKMP-LBPRGKRZSA-N 2 0 302.434 3.994 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000180889813 525437000 /nfs/dbraw/zinc/43/70/00/525437000.db2.gz ZHABOTQVXYQQDY-YVWKXTFCSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000131761222 525523605 /nfs/dbraw/zinc/52/36/05/525523605.db2.gz ILEGOVPAXTUSSH-OAHLLOKOSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325645 526099152 /nfs/dbraw/zinc/09/91/52/526099152.db2.gz HHLOFNLEMGWKEI-STQMWFEESA-N 2 0 311.267 3.571 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000269003757 526612076 /nfs/dbraw/zinc/61/20/76/526612076.db2.gz MDKPCQNNPPDCKQ-CYBMUJFWSA-N 2 0 318.490 3.506 20 0 DHADRP [NH3+]C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000339408277 527144276 /nfs/dbraw/zinc/14/42/76/527144276.db2.gz XGWJUGYZJBEDRX-UHFFFAOYSA-N 2 0 301.261 3.739 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000284586513 534958600 /nfs/dbraw/zinc/95/86/00/534958600.db2.gz ZMFORDMIVSEAQW-XNFNUYLZSA-N 2 0 316.489 3.509 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000284586503 534959047 /nfs/dbraw/zinc/95/90/47/534959047.db2.gz ZMFORDMIVSEAQW-LNKGRISISA-N 2 0 316.489 3.509 20 0 DHADRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCOC3(C)C)c2)CC1 ZINC000340229289 535281747 /nfs/dbraw/zinc/28/17/47/535281747.db2.gz UCOMHCNCZHULRS-LJQANCHMSA-N 2 0 316.489 3.576 20 0 DHADRP CN1CCC([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000040239770 536344041 /nfs/dbraw/zinc/34/40/41/536344041.db2.gz WCAGPXRASWHGKR-UHFFFAOYSA-N 2 0 304.434 3.738 20 0 DHADRP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000284424587 536643220 /nfs/dbraw/zinc/64/32/20/536643220.db2.gz OVGCVSZJLGLTLT-ILZDJORESA-N 2 0 316.489 3.617 20 0 DHADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000339905783 1013051897 /nfs/dbraw/zinc/05/18/97/1013051897.db2.gz DDBYGJMKWMELOY-LLVKDONJSA-N 2 0 310.228 3.716 20 0 DHADRP CCCOC1CCC([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001173090145 1033520394 /nfs/dbraw/zinc/52/03/94/1033520394.db2.gz STOWOJFDPGPXDA-OLECLDRESA-N 2 0 310.526 3.858 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C[C@](C)(C[NH3+])C1 ZINC001168407041 1013106675 /nfs/dbraw/zinc/10/66/75/1013106675.db2.gz MCQASGRNTWVRBY-HBFSDRIKSA-N 2 0 318.480 3.816 20 0 DHADRP CC1(C)C[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C[C@](C)(C[NH3+])C1 ZINC001168407039 1013108563 /nfs/dbraw/zinc/10/85/63/1013108563.db2.gz MCQASGRNTWVRBY-BJLQDIEVSA-N 2 0 318.480 3.816 20 0 DHADRP CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000037539031 1013181854 /nfs/dbraw/zinc/18/18/54/1013181854.db2.gz TYKQUMKDRJLDHK-UHFFFAOYSA-N 2 0 300.368 3.669 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCS2 ZINC000037649411 1013206461 /nfs/dbraw/zinc/20/64/61/1013206461.db2.gz RULDNJQMCZAOLM-WBMJQRKESA-N 2 0 322.905 3.951 20 0 DHADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964375 1013211528 /nfs/dbraw/zinc/21/15/28/1013211528.db2.gz PZSGMELFIDRVTO-PHHCVGHBSA-N 2 0 316.464 3.752 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649362 1013207105 /nfs/dbraw/zinc/20/71/05/1013207105.db2.gz KUQGXZZMFQPLSD-QWHCGFSZSA-N 2 0 323.278 3.584 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000297003357 1013222275 /nfs/dbraw/zinc/22/22/75/1013222275.db2.gz FZWBFKQJTLPNSG-UHFFFAOYSA-N 2 0 322.443 3.876 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894430791 1013357852 /nfs/dbraw/zinc/35/78/52/1013357852.db2.gz DZQXJOIXNPPHBH-UHFFFAOYSA-N 2 0 323.893 3.771 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000398122712 1013359431 /nfs/dbraw/zinc/35/94/31/1013359431.db2.gz HIUKNIVVMFAUCV-NEWSRXKRSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H](NCc1nccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894434947 1013361189 /nfs/dbraw/zinc/36/11/89/1013361189.db2.gz XGMBUTRRIDXJPE-WMZOPIPTSA-N 2 0 323.484 3.977 20 0 DHADRP Cc1ccccc1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C)CC1 ZINC000894458563 1013372014 /nfs/dbraw/zinc/37/20/14/1013372014.db2.gz VQBPCHZENXHZEK-UHFFFAOYSA-N 2 0 323.484 3.734 20 0 DHADRP C[NH+](C)[C@H]1CCCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894565387 1013420643 /nfs/dbraw/zinc/42/06/43/1013420643.db2.gz FZTKEYGHIPBFOB-ZDUSSCGKSA-N 2 0 323.893 3.866 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC000894806640 1013493465 /nfs/dbraw/zinc/49/34/65/1013493465.db2.gz HSICSIICXVMJPD-UHFFFAOYSA-N 2 0 300.368 3.727 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@H]3C)c2)[C@@H]1C ZINC000519578688 1013493483 /nfs/dbraw/zinc/49/34/83/1013493483.db2.gz GHRPEOPESMXJHR-YYIAUSFCSA-N 2 0 301.478 3.542 20 0 DHADRP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000315380655 1013495499 /nfs/dbraw/zinc/49/54/99/1013495499.db2.gz DITXACQAXZTLOT-HZPDHXFCSA-N 2 0 304.478 3.855 20 0 DHADRP C([NH+]1C[C@H]2CCC[C@@H]2C1)C1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCC1 ZINC000647966559 1013521094 /nfs/dbraw/zinc/52/10/94/1013521094.db2.gz YSVAIARUJKVCFP-MKXGPGLRSA-N 2 0 302.506 3.621 20 0 DHADRP Cc1cc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)no1 ZINC001167985558 1013524965 /nfs/dbraw/zinc/52/49/65/1013524965.db2.gz YHUXENQRUAUUOI-SUTQANCOSA-N 2 0 315.461 3.525 20 0 DHADRP C[C@@H]1SCC[N@H+](CC[C@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC000340372230 1013525014 /nfs/dbraw/zinc/52/50/14/1013525014.db2.gz WLRUNVNIGNSZDS-CGTJXYLNSA-N 2 0 304.503 3.649 20 0 DHADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCSc1cc(Cl)ccc1Cl ZINC000124633244 1013543813 /nfs/dbraw/zinc/54/38/13/1013543813.db2.gz STYKITXNPYKWHA-PWSUYJOCSA-N 2 0 319.301 3.897 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000894861343 1013557901 /nfs/dbraw/zinc/55/79/01/1013557901.db2.gz SGPKBCRLKHORBE-GFCCVEGCSA-N 2 0 300.368 3.585 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000519717260 1013596949 /nfs/dbraw/zinc/59/69/49/1013596949.db2.gz WWGMJCIGBSWZJJ-IKGGRYGDSA-N 2 0 300.471 3.891 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519768838 1013601479 /nfs/dbraw/zinc/60/14/79/1013601479.db2.gz HUAHGJPTKHIPGW-JENIJYKNSA-N 2 0 320.521 3.721 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000579110374 1013639736 /nfs/dbraw/zinc/63/97/36/1013639736.db2.gz LUMGQHKUGHQKCK-KRWDZBQOSA-N 2 0 316.832 3.802 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121461386 1013642199 /nfs/dbraw/zinc/64/21/99/1013642199.db2.gz NYAQGMQDIJWJRB-GOSISDBHSA-N 2 0 308.416 3.664 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655690157 1013646382 /nfs/dbraw/zinc/64/63/82/1013646382.db2.gz XMROXOJNKRBOST-QAPCUYQASA-N 2 0 306.519 3.901 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000655704136 1013651410 /nfs/dbraw/zinc/65/14/10/1013651410.db2.gz QNBHFTFCNWZURZ-GDBMZVCRSA-N 2 0 324.559 3.834 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000655704137 1013651734 /nfs/dbraw/zinc/65/17/34/1013651734.db2.gz QNBHFTFCNWZURZ-GOEBONIOSA-N 2 0 324.559 3.834 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[C@H](C)SC3)CC2)CC1 ZINC000655737340 1013675021 /nfs/dbraw/zinc/67/50/21/1013675021.db2.gz LYKQHXWWPPHDMQ-NALMEZQBSA-N 2 0 310.551 3.903 20 0 DHADRP CCOc1ccccc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000520205012 1013676425 /nfs/dbraw/zinc/67/64/25/1013676425.db2.gz OVLHZXXIRDNMDN-ROUUACIJSA-N 2 0 318.505 3.933 20 0 DHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCO2 ZINC000655806042 1013728295 /nfs/dbraw/zinc/72/82/95/1013728295.db2.gz XRRGAABHDUODLA-VBQJREDUSA-N 2 0 322.880 3.792 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805639 1013728398 /nfs/dbraw/zinc/72/83/98/1013728398.db2.gz RCAMERDXUOKBNV-RWMBFGLXSA-N 2 0 315.288 3.854 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000655806187 1013728417 /nfs/dbraw/zinc/72/84/17/1013728417.db2.gz QSPVOTMEWHCFDQ-RWSFTLGLSA-N 2 0 313.272 3.911 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000655806169 1013728436 /nfs/dbraw/zinc/72/84/36/1013728436.db2.gz QGTWQVQVUZACGJ-LNSITVRQSA-N 2 0 310.894 3.807 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000655804103 1013728567 /nfs/dbraw/zinc/72/85/67/1013728567.db2.gz PLNAZNZKSYKTRG-ZAWLATJESA-N 2 0 320.908 3.981 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)oc21 ZINC000655805290 1013724115 /nfs/dbraw/zinc/72/41/15/1013724115.db2.gz LKNZWEHQLRBNLU-FMKPAKJESA-N 2 0 316.445 3.822 20 0 DHADRP CCc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000441400174 1013734392 /nfs/dbraw/zinc/73/43/92/1013734392.db2.gz WFOHEIGLZKJBII-CTNGQTDRSA-N 2 0 312.501 3.740 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000655824587 1013745021 /nfs/dbraw/zinc/74/50/21/1013745021.db2.gz NANPOWBPEZTYPY-KDYLLFBJSA-N 2 0 322.880 3.559 20 0 DHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824675 1013745582 /nfs/dbraw/zinc/74/55/82/1013745582.db2.gz NNMPYOGRVPUEGG-VOQZQIFKSA-N 2 0 324.415 3.621 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000894977434 1013760629 /nfs/dbraw/zinc/76/06/29/1013760629.db2.gz JXNVJQLOHOEEOZ-UHFFFAOYSA-N 2 0 308.416 3.673 20 0 DHADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978150 1013784917 /nfs/dbraw/zinc/78/49/17/1013784917.db2.gz NHGLBRFGVQAURS-KBMXLJTQSA-N 2 0 308.416 3.737 20 0 DHADRP c1ccc(C[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167995761 1013794560 /nfs/dbraw/zinc/79/45/60/1013794560.db2.gz PWXSIGIQGGNQCM-IZCSPVGOSA-N 2 0 324.512 3.956 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000122342732 1013816188 /nfs/dbraw/zinc/81/61/88/1013816188.db2.gz ZAGRSGWCBSBBDV-HBFSDRIKSA-N 2 0 318.505 3.783 20 0 DHADRP CCC[N@H+](Cc1cc(C(C)C)ccc1OC)C1CC[NH2+]CC1 ZINC000655937624 1013835746 /nfs/dbraw/zinc/83/57/46/1013835746.db2.gz CPWYYPVQJGLMKZ-UHFFFAOYSA-N 2 0 304.478 3.783 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000655941636 1013838714 /nfs/dbraw/zinc/83/87/14/1013838714.db2.gz YBTZQMNFBZQDTP-MJGOQNOKSA-N 2 0 316.489 3.783 20 0 DHADRP Oc1ccc2c(c1)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340473406 1013845714 /nfs/dbraw/zinc/84/57/14/1013845714.db2.gz CAGKCYWYSZYUOU-IBGZPJMESA-N 2 0 302.462 3.625 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)c1 ZINC000340475421 1013856276 /nfs/dbraw/zinc/85/62/76/1013856276.db2.gz QVDIRFYIBKFNNU-LPHOPBHVSA-N 2 0 304.478 3.576 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC000340476259 1013859517 /nfs/dbraw/zinc/85/95/17/1013859517.db2.gz HQXQFUVAQZDHQE-LJQANCHMSA-N 2 0 302.462 3.538 20 0 DHADRP Cc1cc(C)nc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167326367 1013885131 /nfs/dbraw/zinc/88/51/31/1013885131.db2.gz LJLJHKVIPBTJCJ-IBGZPJMESA-N 2 0 315.505 3.786 20 0 DHADRP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)OC1CCCCCC1 ZINC000441452981 1013891918 /nfs/dbraw/zinc/89/19/18/1013891918.db2.gz AGPBJEIRVRXDEG-GOSISDBHSA-N 2 0 308.510 3.534 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000580109229 1014032268 /nfs/dbraw/zinc/03/22/68/1014032268.db2.gz MESKXFCCQRHEBC-QUCCMNQESA-N 2 0 316.489 3.685 20 0 DHADRP Cc1c(C[NH2+]C2CCC([NH+](C)C)CC2)cccc1C(F)(F)F ZINC001168298292 1032079718 /nfs/dbraw/zinc/07/97/18/1032079718.db2.gz KSVODGRWVROZBK-UHFFFAOYSA-N 2 0 314.395 3.976 20 0 DHADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312782929 1014086259 /nfs/dbraw/zinc/08/62/59/1014086259.db2.gz HXPSIYRJGVXWGD-FPMFFAJLSA-N 2 0 313.272 3.986 20 0 DHADRP Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298152 1032081324 /nfs/dbraw/zinc/08/13/24/1032081324.db2.gz BCFHZYABEVFRQR-AOCRQIFASA-N 2 0 304.478 3.533 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000398043746 1014116890 /nfs/dbraw/zinc/11/68/90/1014116890.db2.gz QNVGXPISMYGWGF-OXJNMPFZSA-N 2 0 312.432 3.826 20 0 DHADRP C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000683930528 1014120584 /nfs/dbraw/zinc/12/05/84/1014120584.db2.gz QQBRYSPHAGAUJN-NVXWUHKLSA-N 2 0 311.473 3.911 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782184294 1014127573 /nfs/dbraw/zinc/12/75/73/1014127573.db2.gz CGMSBWSSZRVPGC-RDTXWAMCSA-N 2 0 306.881 3.991 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189242552 1014171228 /nfs/dbraw/zinc/17/12/28/1014171228.db2.gz SGVQAYUTWDOLGV-UXHICEINSA-N 2 0 311.473 3.973 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CCC(C[NH+](C)C)CC3)ccc2n1 ZINC000189403995 1014185941 /nfs/dbraw/zinc/18/59/41/1014185941.db2.gz XSBWXTRSTSGZAX-UHFFFAOYSA-N 2 0 311.473 3.753 20 0 DHADRP CCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000580602127 1014245929 /nfs/dbraw/zinc/24/59/29/1014245929.db2.gz AZGVMRDNMXWFMN-DFNIBXOVSA-N 2 0 316.489 3.923 20 0 DHADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119492 1014327593 /nfs/dbraw/zinc/32/75/93/1014327593.db2.gz KOGHXNPRBVAEBQ-YWTNHNAXSA-N 2 0 310.526 3.559 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000427599901 1014357740 /nfs/dbraw/zinc/35/77/40/1014357740.db2.gz QPOKBKCRFIHUPN-FQEVSTJZSA-N 2 0 302.506 3.964 20 0 DHADRP COc1ccc([C@H](C)[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000580898426 1014428925 /nfs/dbraw/zinc/42/89/25/1014428925.db2.gz YMNMBRXCWSVECW-HNNXBMFYSA-N 2 0 310.441 3.534 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000320756243 1014481530 /nfs/dbraw/zinc/48/15/30/1014481530.db2.gz WORQHBSTDSZDFR-INIZCTEOSA-N 2 0 306.494 3.514 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000581094219 1014553376 /nfs/dbraw/zinc/55/33/76/1014553376.db2.gz LQDIOTQPCSOHQO-NLWGTHIKSA-N 2 0 317.521 3.532 20 0 DHADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C(c1ccccc1)c1ccccc1 ZINC000665277554 1014652495 /nfs/dbraw/zinc/65/24/95/1014652495.db2.gz FIIUXVXJYLUFER-ZGGTZUKQSA-N 2 0 306.453 3.549 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000581269460 1014665539 /nfs/dbraw/zinc/66/55/39/1014665539.db2.gz PSWVOHXQOVIWLS-PXTPFGJHSA-N 2 0 316.464 3.767 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c2ccccc12 ZINC000665280943 1014667735 /nfs/dbraw/zinc/66/77/35/1014667735.db2.gz PVPSTKRCTHLALL-KBXCAEBGSA-N 2 0 300.446 3.872 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c2ccccc12 ZINC000665280944 1014667804 /nfs/dbraw/zinc/66/78/04/1014667804.db2.gz PVPSTKRCTHLALL-RDTXWAMCSA-N 2 0 300.446 3.872 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000665281106 1014668173 /nfs/dbraw/zinc/66/81/73/1014668173.db2.gz UTHARJYPYSBJQS-IUODEOHRSA-N 2 0 318.383 3.652 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000665280453 1014671459 /nfs/dbraw/zinc/67/14/59/1014671459.db2.gz BVHFRBJLKWLIKG-QMTHXVAHSA-N 2 0 317.246 3.612 20 0 DHADRP CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000665281590 1014674763 /nfs/dbraw/zinc/67/47/63/1014674763.db2.gz HESGFKNRJQEYLA-CRAIPNDOSA-N 2 0 313.445 3.898 20 0 DHADRP CSC1(C[NH2+][C@@H](C)CCc2cccc(F)c2)CC[NH+](C)CC1 ZINC000521521164 1014724346 /nfs/dbraw/zinc/72/43/46/1014724346.db2.gz WPMJQXPUXLPTDJ-HNNXBMFYSA-N 2 0 324.509 3.564 20 0 DHADRP CCCC[C@@H](CC)C[N@@H+]1CC[C@]2(C1)CCCN(CC[NH+](C)C)C2 ZINC001279483627 1014742021 /nfs/dbraw/zinc/74/20/21/1014742021.db2.gz FEMUZSWWBDPROR-WOJBJXKFSA-N 2 0 323.569 3.552 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000442918509 1014772422 /nfs/dbraw/zinc/77/24/22/1014772422.db2.gz GZYSQNMPQBERIA-NSHDSACASA-N 2 0 318.795 3.502 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000665301244 1014784831 /nfs/dbraw/zinc/78/48/31/1014784831.db2.gz RZWQDYMZYOJLAZ-MELADBBJSA-N 2 0 306.416 3.865 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000442999662 1014786454 /nfs/dbraw/zinc/78/64/54/1014786454.db2.gz MYXAALVNYOENMD-UHFFFAOYSA-N 2 0 302.384 3.691 20 0 DHADRP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060633 1014797038 /nfs/dbraw/zinc/79/70/38/1014797038.db2.gz PKEUJVYRVKRUFH-CHWSQXEVSA-N 2 0 322.403 3.553 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000443062354 1014797597 /nfs/dbraw/zinc/79/75/97/1014797597.db2.gz UMZWUBJVNXVYHM-KRWDZBQOSA-N 2 0 312.457 3.670 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccsc1 ZINC000443101372 1014811937 /nfs/dbraw/zinc/81/19/37/1014811937.db2.gz COEJUFODBBVSLJ-KSZLIROESA-N 2 0 322.518 3.557 20 0 DHADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000521851875 1014815022 /nfs/dbraw/zinc/81/50/22/1014815022.db2.gz OYMOLMBSBFDWPZ-OXJNMPFZSA-N 2 0 316.489 3.780 20 0 DHADRP Cc1ccc(OC(F)F)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043621 1014815295 /nfs/dbraw/zinc/81/52/95/1014815295.db2.gz MTYDVIHGIXIBJW-GDBMZVCRSA-N 2 0 324.415 3.513 20 0 DHADRP CC(C)OCCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168015250 1014840627 /nfs/dbraw/zinc/84/06/27/1014840627.db2.gz QCUDCRQUTPWYJH-QZTJIDSGSA-N 2 0 318.505 3.833 20 0 DHADRP CC(C)c1ccc([C@@H]([NH2+]C[C@H](O)CN(C)C2CC2)C(C)C)cc1 ZINC000522038173 1014870930 /nfs/dbraw/zinc/87/09/30/1014870930.db2.gz WDLSGPDQISMIHA-PMACEKPBSA-N 2 0 318.505 3.552 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000581455350 1014870416 /nfs/dbraw/zinc/87/04/16/1014870416.db2.gz FSYAUFHJBSKBLC-UQHVZDHRSA-N 2 0 308.416 3.532 20 0 DHADRP CCc1c(C)[nH+]c2ccccc2c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000443443191 1014914824 /nfs/dbraw/zinc/91/48/24/1014914824.db2.gz YAHKMXAQIXCLBH-JKSUJKDBSA-N 2 0 309.457 3.566 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001168299611 1032106119 /nfs/dbraw/zinc/10/61/19/1032106119.db2.gz MCZDZESBFBAIAI-UHFFFAOYSA-N 2 0 309.457 3.711 20 0 DHADRP CCC[C@@H](CCO)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022539 1015017654 /nfs/dbraw/zinc/01/76/54/1015017654.db2.gz ABHPKJQUJWEUJD-LNLFQRSKSA-N 2 0 318.505 3.569 20 0 DHADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000443653016 1015075062 /nfs/dbraw/zinc/07/50/62/1015075062.db2.gz HBEULDRYUYXZQR-CUDHKJQZSA-N 2 0 302.506 3.928 20 0 DHADRP C[C@@H]1CC([NH2+]C(C)(C)C(C)(C)O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025028 1015088861 /nfs/dbraw/zinc/08/88/61/1015088861.db2.gz AHYFRKFSHULJNF-HZPDHXFCSA-N 2 0 318.505 3.567 20 0 DHADRP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000518978512 1015096534 /nfs/dbraw/zinc/09/65/34/1015096534.db2.gz WICZGDFEPVPDKI-UONOGXRCSA-N 2 0 316.445 3.596 20 0 DHADRP Cc1nn(C(C)C)cc1CNC(C)(C)CC[NH+]1CCCCCC1 ZINC000341369637 1015245902 /nfs/dbraw/zinc/24/59/02/1015245902.db2.gz IISGHWRGOBQUHF-UHFFFAOYSA-N 2 0 320.525 3.907 20 0 DHADRP C[NH+]1CCC(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)CC1 ZINC000895698412 1015267911 /nfs/dbraw/zinc/26/79/11/1015267911.db2.gz DVQZODFTJIFQTE-UHFFFAOYSA-N 2 0 321.852 3.648 20 0 DHADRP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410375 1015288069 /nfs/dbraw/zinc/28/80/69/1015288069.db2.gz SPHDHGNXSDNCTG-FUHWJXTLSA-N 2 0 314.498 3.791 20 0 DHADRP C[C@@H](CC1CCC1)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000684411569 1015291057 /nfs/dbraw/zinc/29/10/57/1015291057.db2.gz YXOCPOVGVFPFGS-JQRITLKVSA-N 2 0 318.427 3.960 20 0 DHADRP COC[C@@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001168033843 1015300787 /nfs/dbraw/zinc/30/07/87/1015300787.db2.gz MCUVMAJWHIBJNF-MBOZVWFJSA-N 2 0 318.505 3.689 20 0 DHADRP CC(C)Cc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cn1 ZINC000895820891 1015317273 /nfs/dbraw/zinc/31/72/73/1015317273.db2.gz BEDKWPKRIPCMJL-UHFFFAOYSA-N 2 0 303.494 3.633 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000474462531 1015379269 /nfs/dbraw/zinc/37/92/69/1015379269.db2.gz SURBRTIZZGSHSH-SOUVJXGZSA-N 2 0 306.881 3.906 20 0 DHADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000474478097 1015382702 /nfs/dbraw/zinc/38/27/02/1015382702.db2.gz JZBCPQCXFAURFL-UXHICEINSA-N 2 0 318.505 3.823 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474607370 1015483499 /nfs/dbraw/zinc/48/34/99/1015483499.db2.gz OAXVIAZQXWXOHN-IEBWSBKVSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCSCC1 ZINC000474612450 1015486349 /nfs/dbraw/zinc/48/63/49/1015486349.db2.gz JKYGTNRTYIPMHY-OAGGEKHMSA-N 2 0 312.567 3.864 20 0 DHADRP CSC1CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000896255938 1015523314 /nfs/dbraw/zinc/52/33/14/1015523314.db2.gz BAGMWRPPUORWQE-UHFFFAOYSA-N 2 0 319.518 3.562 20 0 DHADRP CSc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000581913362 1015534565 /nfs/dbraw/zinc/53/45/65/1015534565.db2.gz DGAMNGITLRJZBQ-ZDUSSCGKSA-N 2 0 300.537 3.926 20 0 DHADRP Cc1ccc(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c(C)c1 ZINC000581924754 1015555934 /nfs/dbraw/zinc/55/59/34/1015555934.db2.gz SXRPNXPSMOPUPP-UHFFFAOYSA-N 2 0 312.501 3.799 20 0 DHADRP C[C@@H]([C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000474794431 1015597622 /nfs/dbraw/zinc/59/76/22/1015597622.db2.gz JIKXECZBUUKPLB-OKZBNKHCSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000474802729 1015609224 /nfs/dbraw/zinc/60/92/24/1015609224.db2.gz ZDKOILKPISYWJO-BTHPGYMESA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)[C@@H](C)O1 ZINC000639378195 1015675727 /nfs/dbraw/zinc/67/57/27/1015675727.db2.gz RLAYODROSWEKPQ-CTZQRVGRSA-N 2 0 314.473 3.510 20 0 DHADRP CCc1ccc(C[C@@H](C)[NH2+]CCCC2CC[NH+](C)CC2)cc1 ZINC001173242556 1033650335 /nfs/dbraw/zinc/65/03/35/1033650335.db2.gz WABVUVYJAYXASD-QGZVFWFLSA-N 2 0 302.506 3.892 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474891620 1015689184 /nfs/dbraw/zinc/68/91/84/1015689184.db2.gz YUUAXOGIDLWWHN-MELADBBJSA-N 2 0 312.910 3.969 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000341763721 1015727679 /nfs/dbraw/zinc/72/76/79/1015727679.db2.gz XZZJSEVNEWDSNT-WMLDXEAASA-N 2 0 322.880 3.875 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000581997049 1015772092 /nfs/dbraw/zinc/77/20/92/1015772092.db2.gz KUNUMRMXQDRGKF-RWMBFGLXSA-N 2 0 300.899 3.871 20 0 DHADRP Fc1ccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000131676133 1015783551 /nfs/dbraw/zinc/78/35/51/1015783551.db2.gz QEMNDQQRWPKDGL-UHFFFAOYSA-N 2 0 304.453 3.755 20 0 DHADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000443961855 1015791554 /nfs/dbraw/zinc/79/15/54/1015791554.db2.gz FOBZUUVQUPKSPI-IYBDPMFKSA-N 2 0 324.896 3.627 20 0 DHADRP C[C@@H]1CC[C@H](C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)O1 ZINC000475038991 1015791963 /nfs/dbraw/zinc/79/19/63/1015791963.db2.gz FYOVAJZCPMVDMQ-YQVWRLOYSA-N 2 0 308.510 3.530 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)OCc2ccccc2)C1 ZINC000475040108 1015793170 /nfs/dbraw/zinc/79/31/70/1015793170.db2.gz USKNZKCJPZBECP-ICSRJNTNSA-N 2 0 318.505 3.646 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443977292 1015826112 /nfs/dbraw/zinc/82/61/12/1015826112.db2.gz HQTVSDSPHYDCHD-NSHDSACASA-N 2 0 323.428 3.762 20 0 DHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000281128594 1015836838 /nfs/dbraw/zinc/83/68/38/1015836838.db2.gz DVHNAZGJAZUKHA-RDTXWAMCSA-N 2 0 320.452 3.532 20 0 DHADRP C[NH+](C)C1CCC([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CC1 ZINC001168304049 1032130508 /nfs/dbraw/zinc/13/05/08/1032130508.db2.gz MIBQORCRZINJBG-UHFFFAOYSA-N 2 0 300.639 3.572 20 0 DHADRP CCC1([NH+](C)C)CC[NH+](CC[C@@H](C)OCc2ccccc2)CC1 ZINC000640016261 1015910721 /nfs/dbraw/zinc/91/07/21/1015910721.db2.gz WNNKLYTULJPCMW-GOSISDBHSA-N 2 0 318.505 3.788 20 0 DHADRP Fc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663346189 1016192283 /nfs/dbraw/zinc/19/22/83/1016192283.db2.gz QHSDWPPONCPZPL-HNNXBMFYSA-N 2 0 310.844 3.691 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C(C)C)nc2C)c1 ZINC000361892490 1032143648 /nfs/dbraw/zinc/14/36/48/1032143648.db2.gz FSNQGLXHGGUOIH-UHFFFAOYSA-N 2 0 314.477 3.514 20 0 DHADRP CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657304371 1016259649 /nfs/dbraw/zinc/25/96/49/1016259649.db2.gz GJWXCPAUKCLEKJ-HXUWFJFHSA-N 2 0 320.440 3.797 20 0 DHADRP COCc1csc(CNC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000657336524 1016367660 /nfs/dbraw/zinc/36/76/60/1016367660.db2.gz VRWUDLFDQYDGJG-UHFFFAOYSA-N 2 0 322.518 3.639 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCCO1 ZINC000346500167 1016422695 /nfs/dbraw/zinc/42/26/95/1016422695.db2.gz UEOPALLTQGSPSR-YLJYHZDGSA-N 2 0 316.489 3.576 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cncc(F)c2)CC1)CC1CC1 ZINC000347006206 1016683087 /nfs/dbraw/zinc/68/30/87/1016683087.db2.gz GANUBTRJGNCQPP-UHFFFAOYSA-N 2 0 319.468 3.555 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000582421203 1016727939 /nfs/dbraw/zinc/72/79/39/1016727939.db2.gz FBWNDEQCWMPHIA-KRWDZBQOSA-N 2 0 316.832 3.802 20 0 DHADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000347096908 1016729891 /nfs/dbraw/zinc/72/98/91/1016729891.db2.gz IMIPCXODZMDBBC-ZDUSSCGKSA-N 2 0 304.434 3.725 20 0 DHADRP Cc1ccc2cc(C[NH2+]CCC[N@H+]3CCCC[C@H]3C)ccc2n1 ZINC000336872620 1016731020 /nfs/dbraw/zinc/73/10/20/1016731020.db2.gz OYGANXAAMYBHTC-QGZVFWFLSA-N 2 0 311.473 3.897 20 0 DHADRP C[C@H](CC[NH2+]Cc1cc2ccncc2s1)[NH+]1CCCCC1 ZINC000657433030 1016766651 /nfs/dbraw/zinc/76/66/51/1016766651.db2.gz NACJTMZXESJCPP-CQSZACIVSA-N 2 0 303.475 3.650 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1 ZINC001168305844 1032150357 /nfs/dbraw/zinc/15/03/57/1032150357.db2.gz OMDTVSNERXPWPY-UHFFFAOYSA-N 2 0 304.453 3.611 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347224721 1016796237 /nfs/dbraw/zinc/79/62/37/1016796237.db2.gz VFXAWTYCKUPOHP-NVXWUHKLSA-N 2 0 302.462 3.567 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185351055 1016872525 /nfs/dbraw/zinc/87/25/25/1016872525.db2.gz YFZYTHXDIHYLPJ-CYBMUJFWSA-N 2 0 310.869 3.818 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185357903 1016878912 /nfs/dbraw/zinc/87/89/12/1016878912.db2.gz NJEJUAPDWWIVTB-KBPBESRZSA-N 2 0 310.869 3.817 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000475072014 1016930069 /nfs/dbraw/zinc/93/00/69/1016930069.db2.gz XNFCPKQNQWGJNV-YZGWKJHDSA-N 2 0 322.537 3.514 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343265 1016973195 /nfs/dbraw/zinc/97/31/95/1016973195.db2.gz JKWWAYMXXUWMKV-AEFFLSMTSA-N 2 0 304.478 3.855 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623358890 1016987291 /nfs/dbraw/zinc/98/72/91/1016987291.db2.gz XSVNXCZBFIWJRY-DOTOQJQBSA-N 2 0 304.478 3.997 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1(C)C ZINC000623395618 1017019189 /nfs/dbraw/zinc/01/91/89/1017019189.db2.gz RXEUSUSXGUHFDC-GOSISDBHSA-N 2 0 318.505 3.964 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)[C@H](C)C1 ZINC000192869141 1017020678 /nfs/dbraw/zinc/02/06/78/1017020678.db2.gz MQQCCTUDXJICGA-XWTMOSNGSA-N 2 0 310.526 3.538 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)Cc2ccc(F)cc2)CC1 ZINC001168306414 1032157110 /nfs/dbraw/zinc/15/71/10/1032157110.db2.gz ZMTMLYXRSVOZSV-UHFFFAOYSA-N 2 0 306.469 3.857 20 0 DHADRP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000666922902 1032246004 /nfs/dbraw/zinc/24/60/04/1032246004.db2.gz RCKVULLCYWQAOF-UCLAIMLFSA-N 2 0 304.453 3.687 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493427 1017072383 /nfs/dbraw/zinc/07/23/83/1017072383.db2.gz DWEZAGDMDIZUAB-SJORKVTESA-N 2 0 316.489 3.578 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1(C)C ZINC000623511915 1017076739 /nfs/dbraw/zinc/07/67/39/1017076739.db2.gz LWLHRJDTLFSMRT-JQHSSLGASA-N 2 0 304.453 3.924 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC001168323290 1032274771 /nfs/dbraw/zinc/27/47/71/1032274771.db2.gz XSFOLUOAANUMFR-UHFFFAOYSA-N 2 0 320.452 3.542 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccccc2OC)C[C@@H]1C ZINC000537616245 1032283252 /nfs/dbraw/zinc/28/32/52/1032283252.db2.gz KSHXWRQIKQDAED-GNRULJKASA-N 2 0 302.462 3.513 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC1 ZINC001168330412 1032309412 /nfs/dbraw/zinc/30/94/12/1032309412.db2.gz QFVVUFGIBSOSFI-DAWZGUTISA-N 2 0 308.416 3.975 20 0 DHADRP CC(C)CC1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090234512 1032392820 /nfs/dbraw/zinc/39/28/20/1032392820.db2.gz DXAUAKOCRNYENE-HKUYNNGSSA-N 2 0 315.505 3.708 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000090664145 1032412444 /nfs/dbraw/zinc/41/24/44/1032412444.db2.gz VHVXWZSNBWUNRM-JXXFODFXSA-N 2 0 309.457 3.567 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000090664142 1032412742 /nfs/dbraw/zinc/41/27/42/1032412742.db2.gz VHVXWZSNBWUNRM-GUXCAODWSA-N 2 0 309.457 3.567 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927033184 1033368565 /nfs/dbraw/zinc/36/85/65/1033368565.db2.gz RJJHUUNYGLEUON-HLLBOEOZSA-N 2 0 322.518 3.562 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CCCn1ccnc1)C1CCCC1 ZINC000091261926 1032438418 /nfs/dbraw/zinc/43/84/18/1032438418.db2.gz TVZSLTHHEKEGIK-IBGZPJMESA-N 2 0 313.445 3.803 20 0 DHADRP CC[NH+](CC)CCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091261398 1032439174 /nfs/dbraw/zinc/43/91/74/1032439174.db2.gz HRPRAGGGAIEIKD-ZDUSSCGKSA-N 2 0 322.884 3.609 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340599 1032453089 /nfs/dbraw/zinc/45/30/89/1032453089.db2.gz KJVLABJVRGVONS-YOEHRIQHSA-N 2 0 322.443 3.676 20 0 DHADRP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171342009 1032462866 /nfs/dbraw/zinc/46/28/66/1032462866.db2.gz RQXDLSQWVJSBOE-QGZVFWFLSA-N 2 0 322.443 3.532 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684958004 1017096412 /nfs/dbraw/zinc/09/64/12/1017096412.db2.gz SDGVHKMCCHAOGC-IBGZPJMESA-N 2 0 315.505 3.807 20 0 DHADRP COc1cccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1F ZINC000192708522 1017298189 /nfs/dbraw/zinc/29/81/89/1017298189.db2.gz QEDGLFFIICTRKS-GDBMZVCRSA-N 2 0 320.452 3.577 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000122270390 1032524324 /nfs/dbraw/zinc/52/43/24/1032524324.db2.gz IEGQKUIDJWDMRO-LJQANCHMSA-N 2 0 316.489 3.955 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccs1 ZINC000122326485 1032524771 /nfs/dbraw/zinc/52/47/71/1032524771.db2.gz PXVLNQARUPDKTP-INIZCTEOSA-N 2 0 318.486 3.929 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000773107180 1032562191 /nfs/dbraw/zinc/56/21/91/1032562191.db2.gz MAHHWPGMCKTORK-SFHVURJKSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171397022 1032580071 /nfs/dbraw/zinc/58/00/71/1032580071.db2.gz NYZGSMMHPAXPGL-JZXOWHBKSA-N 2 0 318.480 3.641 20 0 DHADRP CCCOc1cccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000537648481 1032578830 /nfs/dbraw/zinc/57/88/30/1032578830.db2.gz STJDVOICSGOILU-IBGZPJMESA-N 2 0 316.489 3.639 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C[C@H]2C1 ZINC000424256924 1011949222 /nfs/dbraw/zinc/94/92/22/1011949222.db2.gz ATRIVSMMHMZHDC-CPPNMTBBSA-N 2 0 322.537 3.538 20 0 DHADRP COc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000424257471 1011950932 /nfs/dbraw/zinc/95/09/32/1011950932.db2.gz KLHXRXIBOVTSAL-GFCCVEGCSA-N 2 0 308.853 3.626 20 0 DHADRP CC(C)[NH+]1CCC(NCc2ccc(CSC(F)F)o2)CC1 ZINC000035014932 1011966300 /nfs/dbraw/zinc/96/63/00/1011966300.db2.gz YPMBXZFTXCFWFG-UHFFFAOYSA-N 2 0 318.433 3.698 20 0 DHADRP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)s1 ZINC000424280734 1011969551 /nfs/dbraw/zinc/96/95/51/1011969551.db2.gz HQLUQGUGOKQPSJ-DOMZBBRYSA-N 2 0 321.465 3.634 20 0 DHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424313198 1011972368 /nfs/dbraw/zinc/97/23/68/1011972368.db2.gz NHMCTMXTBXAQEU-WOJBJXKFSA-N 2 0 322.537 3.562 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc3ccccc3s1)CC[NH2+]CC2 ZINC000424377345 1012013330 /nfs/dbraw/zinc/01/33/30/1012013330.db2.gz LXPAJQNULCRRIG-CQSZACIVSA-N 2 0 300.471 3.865 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C(F)(F)F)s1)CC[NH2+]CC2 ZINC000424373047 1012014044 /nfs/dbraw/zinc/01/40/44/1012014044.db2.gz GKXZZZULNKPRJL-LLVKDONJSA-N 2 0 318.408 3.731 20 0 DHADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000219315875 1012020430 /nfs/dbraw/zinc/02/04/30/1012020430.db2.gz UOQRRDBKTGYWJP-HNNXBMFYSA-N 2 0 319.276 3.612 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546092 1012093302 /nfs/dbraw/zinc/09/33/02/1012093302.db2.gz IFLAGHRWAHAIJI-MOPGFXCFSA-N 2 0 300.490 3.908 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C(C)C)cc1 ZINC000643548622 1012119476 /nfs/dbraw/zinc/11/94/76/1012119476.db2.gz RZQCERGFLWXEFD-WMZOPIPTSA-N 2 0 302.462 3.657 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954541 1032604711 /nfs/dbraw/zinc/60/47/11/1032604711.db2.gz XOQANNMVAGNILZ-YESZJQIVSA-N 2 0 304.865 3.708 20 0 DHADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122366798 1032604973 /nfs/dbraw/zinc/60/49/73/1032604973.db2.gz PLCIQFSJIZNFEF-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411774 1032612647 /nfs/dbraw/zinc/61/26/47/1032612647.db2.gz OCHJNFHHOAMCGJ-GOSISDBHSA-N 2 0 318.480 3.785 20 0 DHADRP Cc1cc(C)cc(OCCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000514009142 1012246447 /nfs/dbraw/zinc/24/64/47/1012246447.db2.gz ZPEOAQQRAXDFSI-UHFFFAOYSA-N 2 0 318.505 3.877 20 0 DHADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171414868 1032615554 /nfs/dbraw/zinc/61/55/54/1032615554.db2.gz XEVKAXXAMNIGIN-KZNAEPCWSA-N 2 0 318.480 3.911 20 0 DHADRP Fc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001171412074 1032615882 /nfs/dbraw/zinc/61/58/82/1032615882.db2.gz RUYXVZYIEIPEGJ-GOSISDBHSA-N 2 0 316.464 3.537 20 0 DHADRP Fc1cccc2c1CC[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001171412458 1032618810 /nfs/dbraw/zinc/61/88/10/1032618810.db2.gz XIJBFTROCNDRBM-KRWDZBQOSA-N 2 0 316.464 3.537 20 0 DHADRP c1ccc(C[NH+]2CCC3(CCN(c4cc[nH+]cc4)C3)CC2)cc1 ZINC000166058432 1012427016 /nfs/dbraw/zinc/42/70/16/1012427016.db2.gz QXDUZIQNXCDVIZ-UHFFFAOYSA-N 2 0 307.441 3.574 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000514839716 1012456486 /nfs/dbraw/zinc/45/64/86/1012456486.db2.gz GFITUCYMDXSPGF-OAHLLOKOSA-N 2 0 300.446 3.685 20 0 DHADRP C[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208612529 1012466307 /nfs/dbraw/zinc/46/63/07/1012466307.db2.gz BLRLYFWUGXKUKI-OAHLLOKOSA-N 2 0 314.395 3.522 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425363539 1012489130 /nfs/dbraw/zinc/48/91/30/1012489130.db2.gz WPHHJLMEXJYPJQ-DSLXNQLJSA-N 2 0 318.530 3.771 20 0 DHADRP CC(C)(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC001208663075 1012502984 /nfs/dbraw/zinc/50/29/84/1012502984.db2.gz HGMNUXQAJIVJKF-UHFFFAOYSA-N 2 0 309.457 3.572 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC1CCCCCC1 ZINC000558403912 1012525012 /nfs/dbraw/zinc/52/50/12/1012525012.db2.gz PXDWMOYLVSPHMU-QYZOEREBSA-N 2 0 308.510 3.530 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[NH+]1CCCCC1 ZINC001172857579 1033426489 /nfs/dbraw/zinc/42/64/89/1033426489.db2.gz XBBVHMWHLIYOER-AWEZNQCLSA-N 2 0 312.860 3.876 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC001202750375 1032652036 /nfs/dbraw/zinc/65/20/36/1032652036.db2.gz RQQNJKIWULUNOZ-QGZVFWFLSA-N 2 0 316.489 3.830 20 0 DHADRP Cc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000154524188 1012753388 /nfs/dbraw/zinc/75/33/88/1012753388.db2.gz QMKKTHNOOMLJCU-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000925010969 1012764482 /nfs/dbraw/zinc/76/44/82/1012764482.db2.gz PAUXJLYQRCQLOU-JKSUJKDBSA-N 2 0 306.519 3.661 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000123648255 1032657033 /nfs/dbraw/zinc/65/70/33/1032657033.db2.gz FRLGDOFMBOUXST-HXUWFJFHSA-N 2 0 324.468 3.924 20 0 DHADRP C[N@H+](CCCOc1cccc(Cl)c1)CC[C@@H]1CCC[NH+]1C ZINC001167094613 1012926850 /nfs/dbraw/zinc/92/68/50/1012926850.db2.gz WIFZZPMUDLZFBN-INIZCTEOSA-N 2 0 310.869 3.525 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000517226397 1012937914 /nfs/dbraw/zinc/93/79/14/1012937914.db2.gz RKZHRLPWBFBLFI-YRBFXIGRSA-N 2 0 306.881 3.906 20 0 DHADRP Cc1nc2ccc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc2s1 ZINC000517263391 1012950755 /nfs/dbraw/zinc/95/07/55/1012950755.db2.gz JMLDKAVFGHBWKO-WBVHZDCISA-N 2 0 315.486 3.521 20 0 DHADRP C[N@@H+](Cc1csc(-c2cccs2)n1)CC1CC[NH+](C)CC1 ZINC000154723229 1012972500 /nfs/dbraw/zinc/97/25/00/1012972500.db2.gz MCBHFKOMHKKCIB-UHFFFAOYSA-N 2 0 321.515 3.645 20 0 DHADRP CCc1ccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cn1 ZINC000348416354 1032673644 /nfs/dbraw/zinc/67/36/44/1032673644.db2.gz YPNLURUXMFGMFS-UHFFFAOYSA-N 2 0 324.472 3.556 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000425944017 1012986610 /nfs/dbraw/zinc/98/66/10/1012986610.db2.gz UYLGNVCEAPSZHA-KGLIPLIRSA-N 2 0 316.411 3.814 20 0 DHADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1F ZINC000517536410 1013006687 /nfs/dbraw/zinc/00/66/87/1013006687.db2.gz FCZACPCNECXBRV-HZPDHXFCSA-N 2 0 306.469 3.982 20 0 DHADRP Fc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000537696315 1032676555 /nfs/dbraw/zinc/67/65/55/1032676555.db2.gz GYSSHABFSGTNKA-KBXCAEBGSA-N 2 0 322.855 3.928 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCSCc2ccccc2)[C@@H](C)C1 ZINC000535629238 1013018545 /nfs/dbraw/zinc/01/85/45/1013018545.db2.gz UWEOLMYPEKQNFQ-PKOBYXMFSA-N 2 0 320.546 3.972 20 0 DHADRP CC[C@H](OCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558807 1017109774 /nfs/dbraw/zinc/10/97/74/1017109774.db2.gz JOPDUASCNYTHBK-ROUUACIJSA-N 2 0 304.478 3.617 20 0 DHADRP COc1cccc(C2([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CCC2)c1 ZINC000623573624 1017117447 /nfs/dbraw/zinc/11/74/47/1017117447.db2.gz PELRVNVIDLOHGS-MRXNPFEDSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177912057 1017146636 /nfs/dbraw/zinc/14/66/36/1017146636.db2.gz FPWVDXWXURHCFU-MDZRGWNJSA-N 2 0 312.457 3.537 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000475335544 1017150899 /nfs/dbraw/zinc/15/08/99/1017150899.db2.gz RLSSHLUQQNQUDC-BVBHFADKSA-N 2 0 302.437 3.678 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178041125 1017151437 /nfs/dbraw/zinc/15/14/37/1017151437.db2.gz ISDFNPZJDFOPKA-FGTMMUONSA-N 2 0 304.478 3.535 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000623655161 1017153002 /nfs/dbraw/zinc/15/30/02/1017153002.db2.gz POXVAKRBVSMISX-ZDUSSCGKSA-N 2 0 300.368 3.527 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000623751771 1017342874 /nfs/dbraw/zinc/34/28/74/1017342874.db2.gz LQTCZCHOACHOPY-RYRKJORJSA-N 2 0 304.865 3.934 20 0 DHADRP CC[NH+](CC)C[C@H]1CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000076004041 1017359337 /nfs/dbraw/zinc/35/93/37/1017359337.db2.gz WVIMCBOVJWCKIV-MRXNPFEDSA-N 2 0 313.445 3.505 20 0 DHADRP CC(C)OCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476976622 1032697067 /nfs/dbraw/zinc/69/70/67/1032697067.db2.gz XVDUAWQSRMYSNN-SFHVURJKSA-N 2 0 310.526 3.778 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000180235260 1017399987 /nfs/dbraw/zinc/39/99/87/1017399987.db2.gz DPEHSASFBGAWCD-GOSISDBHSA-N 2 0 308.469 3.750 20 0 DHADRP FC(F)(F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680219 1032703358 /nfs/dbraw/zinc/70/33/58/1032703358.db2.gz GVRQWGPOEBVTCB-JYJNAYRXSA-N 2 0 312.379 3.582 20 0 DHADRP Cc1csc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000623863865 1017541895 /nfs/dbraw/zinc/54/18/95/1017541895.db2.gz AQKYAKVKOYSLDE-IJEWVQPXSA-N 2 0 309.523 3.860 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCCO1 ZINC000623854482 1017543020 /nfs/dbraw/zinc/54/30/20/1017543020.db2.gz AAGMZSHUPSPSHG-YLJYHZDGSA-N 2 0 316.489 3.720 20 0 DHADRP COCC(C)(C)CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926425744 1017562722 /nfs/dbraw/zinc/56/27/22/1017562722.db2.gz KGYKNTORKFVVLL-MRXNPFEDSA-N 2 0 306.494 3.852 20 0 DHADRP Cc1cccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C(C)C)c1 ZINC000623891046 1017572995 /nfs/dbraw/zinc/57/29/95/1017572995.db2.gz BRKIKWWETNWHOG-UXHICEINSA-N 2 0 318.505 3.519 20 0 DHADRP Cc1cc(C)cc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000444604229 1017587319 /nfs/dbraw/zinc/58/73/19/1017587319.db2.gz APGRBGJQGVQPIZ-LJQANCHMSA-N 2 0 300.490 3.969 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857902878 1032711029 /nfs/dbraw/zinc/71/10/29/1032711029.db2.gz WOXQMZIAYDLASL-ZBFHGGJFSA-N 2 0 321.896 3.967 20 0 DHADRP Cc1ccc(C[NH+]2CCCC2)cc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623954114 1017604955 /nfs/dbraw/zinc/60/49/55/1017604955.db2.gz AJKLDAPFXOBITK-SFHVURJKSA-N 2 0 315.505 3.876 20 0 DHADRP CC[NH+](CC)Cc1ccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623968031 1017610793 /nfs/dbraw/zinc/61/07/93/1017610793.db2.gz QLTSLLWPULAVTK-GOSISDBHSA-N 2 0 303.494 3.813 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119694 1017691464 /nfs/dbraw/zinc/69/14/64/1017691464.db2.gz HGLUCZKRVMLQFH-IAGOWNOFSA-N 2 0 304.478 3.858 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000624122446 1017695153 /nfs/dbraw/zinc/69/51/53/1017695153.db2.gz RJKRAMBSNADBHO-NXVRBGIVSA-N 2 0 306.881 3.908 20 0 DHADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000624122670 1017695232 /nfs/dbraw/zinc/69/52/32/1017695232.db2.gz YGBROSRVOLXFMR-ATZDWAIDSA-N 2 0 304.453 3.783 20 0 DHADRP CC(C)C[C@@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000125743903 1032717263 /nfs/dbraw/zinc/71/72/63/1032717263.db2.gz PIBNOLPZSFQSNQ-IEBWSBKVSA-N 2 0 303.494 3.879 20 0 DHADRP COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2CCCn2ccnc2C)cc1 ZINC000367168334 1017705464 /nfs/dbraw/zinc/70/54/64/1017705464.db2.gz PTRSYJWQOVWRQO-KXBFYZLASA-N 2 0 313.445 3.673 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)[C@H](C)C1 ZINC000624146034 1017707582 /nfs/dbraw/zinc/70/75/82/1017707582.db2.gz PDDADVLSWXAOPS-MKXGPGLRSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171462848 1032722345 /nfs/dbraw/zinc/72/23/45/1032722345.db2.gz KNEHJRPDGOKGDQ-KRWDZBQOSA-N 2 0 322.443 3.532 20 0 DHADRP Cc1cccc([C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000090946759 1017834121 /nfs/dbraw/zinc/83/41/21/1017834121.db2.gz PTBGDBKWDHCCCD-LAUBAEHRSA-N 2 0 323.484 3.799 20 0 DHADRP CC(C)C[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000445406347 1017850079 /nfs/dbraw/zinc/85/00/79/1017850079.db2.gz WAZUFCZMWUNIAN-SFHVURJKSA-N 2 0 323.569 3.549 20 0 DHADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)cc2c1OCC2 ZINC000897339827 1017854430 /nfs/dbraw/zinc/85/44/30/1017854430.db2.gz OQXCMJYSBUCYHK-RJPYNODJSA-N 2 0 320.864 3.551 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC2(CCC[N@H+]2C)CC1 ZINC000445599153 1017921870 /nfs/dbraw/zinc/92/18/70/1017921870.db2.gz GBXXPETYDSEAEC-UHFFFAOYSA-N 2 0 309.457 3.916 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000624261485 1017974529 /nfs/dbraw/zinc/97/45/29/1017974529.db2.gz UETIRUMPNXZPNM-AVGNSLFASA-N 2 0 318.408 3.729 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1C(F)(F)F ZINC000363791275 1018019274 /nfs/dbraw/zinc/01/92/74/1018019274.db2.gz JCYBCBZRDQZCQR-IHRRRGAJSA-N 2 0 312.379 3.983 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066798 1018019968 /nfs/dbraw/zinc/01/99/68/1018019968.db2.gz GECDROKWEZKATM-QGZVFWFLSA-N 2 0 310.526 3.682 20 0 DHADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067952 1018021946 /nfs/dbraw/zinc/02/19/46/1018021946.db2.gz SRJGCHIZJFFNKP-POAQFYNOSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000367308125 1018102553 /nfs/dbraw/zinc/10/25/53/1018102553.db2.gz NGGPQBNRUOSLED-UQHVZDHRSA-N 2 0 308.416 3.532 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)[C@H](C)C1 ZINC001171472550 1032745498 /nfs/dbraw/zinc/74/54/98/1032745498.db2.gz NXINGKMYQJHERC-NRXGSXMXSA-N 2 0 322.443 3.531 20 0 DHADRP CC(C)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000526051132 1018166471 /nfs/dbraw/zinc/16/64/71/1018166471.db2.gz GLXYYFGTCQDCNV-HXUWFJFHSA-N 2 0 314.517 3.965 20 0 DHADRP C[N@H+](CCCOC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000674909619 1018193732 /nfs/dbraw/zinc/19/37/32/1018193732.db2.gz QQNMRNINBJZJQM-IBGZPJMESA-N 2 0 318.505 3.646 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CC[N@@H+]1C ZINC000525195261 1018198416 /nfs/dbraw/zinc/19/84/16/1018198416.db2.gz AGFPRBQFJOKLEW-NVXWUHKLSA-N 2 0 302.462 3.580 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccs1 ZINC000658168525 1018202455 /nfs/dbraw/zinc/20/24/55/1018202455.db2.gz URKBWHOXXFJUMX-HNNXBMFYSA-N 2 0 315.486 3.706 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](COCc2ccccc2)C(C)C)CC1 ZINC000446753631 1018232798 /nfs/dbraw/zinc/23/27/98/1018232798.db2.gz TVUXXHXGZJPCNV-FQEVSTJZSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC2CCC1CC2 ZINC000381891865 1018285273 /nfs/dbraw/zinc/28/52/73/1018285273.db2.gz LLSAKMDDZDTAPQ-ILCXRZRJSA-N 2 0 313.489 3.855 20 0 DHADRP CCC[N@H+](C)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000566482805 1018288660 /nfs/dbraw/zinc/28/86/60/1018288660.db2.gz QCIRRUDMIWFIGV-RCCFBDPRSA-N 2 0 323.912 3.582 20 0 DHADRP Cc1[nH+]ccc(NC2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000381982902 1018294135 /nfs/dbraw/zinc/29/41/35/1018294135.db2.gz NIGNDSBUDCBXEF-UHFFFAOYSA-N 2 0 315.848 3.542 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C3c4ccccc4-c4ccccc43)C[C@H]21 ZINC000261629865 1018386295 /nfs/dbraw/zinc/38/62/95/1018386295.db2.gz CXBXUEIFXQOFAG-JSNMRZPZSA-N 2 0 304.437 3.816 20 0 DHADRP c1coc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000447519308 1018402285 /nfs/dbraw/zinc/40/22/85/1018402285.db2.gz GMPDLEZNAOQIST-REPLKXPHSA-N 2 0 310.441 3.607 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccnn1CC1CCC1 ZINC000926486264 1018415680 /nfs/dbraw/zinc/41/56/80/1018415680.db2.gz FVIWQNGOPHUBEF-KRWDZBQOSA-N 2 0 318.509 3.600 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C12CCCCC2 ZINC000447568351 1018416791 /nfs/dbraw/zinc/41/67/91/1018416791.db2.gz JFDCEUMEBKYWKP-RBUKOAKNSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc(C)c1F ZINC000447556465 1018422721 /nfs/dbraw/zinc/42/27/21/1018422721.db2.gz IEMXFMSHDLQDID-HNNXBMFYSA-N 2 0 304.453 3.968 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000174372271 1018423671 /nfs/dbraw/zinc/42/36/71/1018423671.db2.gz QFUYKLUIPXUKOK-GOSISDBHSA-N 2 0 324.468 3.794 20 0 DHADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447559858 1018424935 /nfs/dbraw/zinc/42/49/35/1018424935.db2.gz UPSLTLRJJXTKRS-IBGZPJMESA-N 2 0 302.437 3.667 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CCC2)o1 ZINC000447567777 1018428081 /nfs/dbraw/zinc/42/80/81/1018428081.db2.gz FCRYMLGYKTUPCS-IBGZPJMESA-N 2 0 302.462 3.893 20 0 DHADRP C[C@H]1CCN(Cc2cnc(C3CCCCC3)s2)C[C@H]1C[NH3+] ZINC000583428618 1018447129 /nfs/dbraw/zinc/44/71/29/1018447129.db2.gz KKCSBMDRLMDYNE-DZGCQCFKSA-N 2 0 307.507 3.608 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cnoc2C)CC1)CC(C)C ZINC000526083271 1018454101 /nfs/dbraw/zinc/45/41/01/1018454101.db2.gz XFPKMMMYOLGTOF-UHFFFAOYSA-N 2 0 307.482 3.563 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000447733963 1018466861 /nfs/dbraw/zinc/46/68/61/1018466861.db2.gz RNKLXCYRZBNIHF-QUCCMNQESA-N 2 0 318.505 3.613 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CC1(C)C ZINC000785478646 1018478532 /nfs/dbraw/zinc/47/85/32/1018478532.db2.gz XWSBJOZILBGVRS-KXBFYZLASA-N 2 0 315.505 3.746 20 0 DHADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635011241 1018511290 /nfs/dbraw/zinc/51/12/90/1018511290.db2.gz DJBSSWIQPRFTER-OZOXKJRCSA-N 2 0 322.452 3.902 20 0 DHADRP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000527115980 1018518450 /nfs/dbraw/zinc/51/84/50/1018518450.db2.gz SPGQGMCPURAYRS-KRWDZBQOSA-N 2 0 318.505 3.823 20 0 DHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC000650708944 1018529750 /nfs/dbraw/zinc/52/97/50/1018529750.db2.gz WDGSEMUPNZGIRE-GUDVDZBRSA-N 2 0 308.510 3.565 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC000650708946 1018532079 /nfs/dbraw/zinc/53/20/79/1018532079.db2.gz WDGSEMUPNZGIRE-OTWHNJEPSA-N 2 0 308.510 3.565 20 0 DHADRP C[C@H]1CCCN(Cc2csc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000650711327 1018538013 /nfs/dbraw/zinc/53/80/13/1018538013.db2.gz PTCOCTARZIQPFJ-JSGCOSHPSA-N 2 0 321.515 3.821 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC000926920005 1032771455 /nfs/dbraw/zinc/77/14/55/1032771455.db2.gz TYKZTALESCIUBR-MTFMMBMASA-N 2 0 320.521 3.578 20 0 DHADRP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000527366500 1018555952 /nfs/dbraw/zinc/55/59/52/1018555952.db2.gz KGNICJUNSRCEPG-KSZLIROESA-N 2 0 318.505 3.537 20 0 DHADRP COC[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000527366501 1018556456 /nfs/dbraw/zinc/55/64/56/1018556456.db2.gz KGNICJUNSRCEPG-KZNAEPCWSA-N 2 0 318.505 3.537 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000650719233 1018565778 /nfs/dbraw/zinc/56/57/78/1018565778.db2.gz ISIQWYJWQZDNMP-UHFFFAOYSA-N 2 0 305.425 3.552 20 0 DHADRP CCCCOc1ccccc1C[NH2+]Cc1ccccc1C[NH2+]C ZINC000650719051 1018566117 /nfs/dbraw/zinc/56/61/17/1018566117.db2.gz BFRYONUEOYYLTM-UHFFFAOYSA-N 2 0 312.457 3.875 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCOc2ccc3ccccc3c2)CC1 ZINC000675738222 1018567885 /nfs/dbraw/zinc/56/78/85/1018567885.db2.gz OBXBREHNRYOMED-UHFFFAOYSA-N 2 0 312.457 3.683 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccncc1 ZINC000647300899 1018588590 /nfs/dbraw/zinc/58/85/90/1018588590.db2.gz IXOHLKVXICIFCW-GOSISDBHSA-N 2 0 303.494 3.880 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)[C@@H](C)C1 ZINC000675787603 1018591002 /nfs/dbraw/zinc/59/10/02/1018591002.db2.gz AEQBCFWIQLEDRS-SUMWQHHRSA-N 2 0 319.880 3.684 20 0 DHADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000675786961 1018591698 /nfs/dbraw/zinc/59/16/98/1018591698.db2.gz NOKFTCPIKCCPND-AZUAARDMSA-N 2 0 300.490 3.923 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2csc3ccccc23)CC1 ZINC000675784120 1018592023 /nfs/dbraw/zinc/59/20/23/1018592023.db2.gz UONQTIJBOLXUTP-UHFFFAOYSA-N 2 0 302.487 3.908 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171553664 1032776276 /nfs/dbraw/zinc/77/62/76/1032776276.db2.gz UCJUHYZRFRBYQR-IEBWSBKVSA-N 2 0 302.506 3.952 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000675929519 1018635755 /nfs/dbraw/zinc/63/57/55/1018635755.db2.gz LAGOZJOROBSYGQ-INIZCTEOSA-N 2 0 302.506 3.847 20 0 DHADRP Cc1cc([C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C2CC2)ccc1F ZINC000650754564 1018677650 /nfs/dbraw/zinc/67/76/50/1018677650.db2.gz LSCUENWISZKFEB-IBGZPJMESA-N 2 0 316.395 3.973 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000650758273 1018694714 /nfs/dbraw/zinc/69/47/14/1018694714.db2.gz MFVBWPNNLQRCGT-ZDUSSCGKSA-N 2 0 320.383 3.858 20 0 DHADRP Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657798497 1018704015 /nfs/dbraw/zinc/70/40/15/1018704015.db2.gz PPRBOQVTILLQMA-FQEVSTJZSA-N 2 0 318.424 3.743 20 0 DHADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650762840 1018710009 /nfs/dbraw/zinc/71/00/09/1018710009.db2.gz LODFLQIQQJKBMW-QZTJIDSGSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(-c2ccncc2)c1 ZINC000650763646 1018710907 /nfs/dbraw/zinc/71/09/07/1018710907.db2.gz GJZCUGOLVLWMAM-MRXNPFEDSA-N 2 0 309.457 3.789 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000650763693 1018711564 /nfs/dbraw/zinc/71/15/64/1018711564.db2.gz HEBFVURKVSAHDB-CQSZACIVSA-N 2 0 315.486 3.850 20 0 DHADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000676414300 1018725707 /nfs/dbraw/zinc/72/57/07/1018725707.db2.gz SOJSHZGEAMKXGG-HXUWFJFHSA-N 2 0 310.441 3.574 20 0 DHADRP c1ccc2cc(OCCN3CCC([NH2+]CC4CC4)CC3)ccc2c1 ZINC000261652182 1018736051 /nfs/dbraw/zinc/73/60/51/1018736051.db2.gz JQZBGIFKHYMRAN-UHFFFAOYSA-N 2 0 324.468 3.683 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(-n2ccnc2)cc1 ZINC000052659407 1018737681 /nfs/dbraw/zinc/73/76/81/1018737681.db2.gz FFOXHEGMDSBCHA-OAHLLOKOSA-N 2 0 302.381 3.595 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C2 ZINC001171563262 1032784064 /nfs/dbraw/zinc/78/40/64/1032784064.db2.gz GVNZNMLGBLVTTP-NKELODKYSA-N 2 0 300.490 3.562 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000353407867 1018750987 /nfs/dbraw/zinc/75/09/87/1018750987.db2.gz SSDPZUWHZRBJND-QFWMXSHPSA-N 2 0 300.368 3.627 20 0 DHADRP Cc1cccc2c1CC[C@@H]([N@@H+](C)CC1CC[NH+](C(C)C)CC1)C2 ZINC001171570577 1032785478 /nfs/dbraw/zinc/78/54/78/1032785478.db2.gz LZPRMTILGUQTCP-HXUWFJFHSA-N 2 0 314.517 3.905 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@H](C)C1 ZINC000624267250 1018768494 /nfs/dbraw/zinc/76/84/94/1018768494.db2.gz HHRRFDGRHBYLRZ-APWZRJJASA-N 2 0 309.457 3.569 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000765454050 1018797390 /nfs/dbraw/zinc/79/73/90/1018797390.db2.gz XZHHUQKVRAZHHD-LJQANCHMSA-N 2 0 310.526 3.682 20 0 DHADRP Fc1ccc(/C=C\C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000657813724 1018798385 /nfs/dbraw/zinc/79/83/85/1018798385.db2.gz YQEBDBNVFCLXDH-UPHRSURJSA-N 2 0 320.427 3.690 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000263813431 1032787464 /nfs/dbraw/zinc/78/74/64/1032787464.db2.gz NRAIYKBKEBHQAW-QGZVFWFLSA-N 2 0 314.473 3.564 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cc21 ZINC000657814117 1018817886 /nfs/dbraw/zinc/81/78/86/1018817886.db2.gz HZRIBQCIYPPERD-UHFFFAOYSA-N 2 0 311.473 3.688 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1csc(-c2ccsc2)n1 ZINC000710712928 1018853266 /nfs/dbraw/zinc/85/32/66/1018853266.db2.gz DEMPOUGCCKNDET-UHFFFAOYSA-N 2 0 309.504 3.823 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncc(F)c1 ZINC000158592683 1018860157 /nfs/dbraw/zinc/86/01/57/1018860157.db2.gz SQOGUWCSALNNOO-OAGGEKHMSA-N 2 0 307.457 3.629 20 0 DHADRP FC1(F)CCC[NH+](CCC[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770942 1018913275 /nfs/dbraw/zinc/91/32/75/1018913275.db2.gz YTOBVBPLOSSOHQ-UHFFFAOYSA-N 2 0 310.379 3.619 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CSc3ccccc3C2)CC1(C)C ZINC001171630311 1032794395 /nfs/dbraw/zinc/79/43/95/1032794395.db2.gz MCQZSBBQLUVYQK-OAHLLOKOSA-N 2 0 318.530 3.944 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc2ccncc2s1 ZINC000657824389 1018919298 /nfs/dbraw/zinc/91/92/98/1018919298.db2.gz QQNLRHTZCVQSSQ-AWEZNQCLSA-N 2 0 303.475 3.823 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000665280787 1018934470 /nfs/dbraw/zinc/93/44/70/1018934470.db2.gz LPKDFSDWZQFZPL-IINYFYTJSA-N 2 0 317.246 3.612 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1C(F)(F)F ZINC000584173153 1018998215 /nfs/dbraw/zinc/99/82/15/1018998215.db2.gz VWTZQGYJZMUZPE-UHFFFAOYSA-N 2 0 308.347 3.762 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623384942 1019011694 /nfs/dbraw/zinc/01/16/94/1019011694.db2.gz SOEKFRKMOYIMRA-NVXWUHKLSA-N 2 0 304.478 3.999 20 0 DHADRP COc1cc(C)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001142935077 1019022688 /nfs/dbraw/zinc/02/26/88/1019022688.db2.gz NTZPRVFYILXZEH-UHFFFAOYSA-N 2 0 318.505 3.864 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnc3ccccc23)CC1(C)C ZINC001171614326 1032804064 /nfs/dbraw/zinc/80/40/64/1032804064.db2.gz XUZZUKQFHONYCI-UHFFFAOYSA-N 2 0 311.473 3.976 20 0 DHADRP CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ncc(CN(C)C)s1 ZINC000347912752 1019056424 /nfs/dbraw/zinc/05/64/24/1019056424.db2.gz FQICAKKEXNGGHY-OAHLLOKOSA-N 2 0 309.523 3.995 20 0 DHADRP C[NH+]1C(C)(C)CC(n2cc(CC[NH3+])c3ccccc32)CC1(C)C ZINC001171614263 1032804655 /nfs/dbraw/zinc/80/46/55/1032804655.db2.gz WARKMYQJISSFEN-UHFFFAOYSA-N 2 0 313.489 3.966 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cc2cnccc2o1 ZINC000657837821 1019061982 /nfs/dbraw/zinc/06/19/82/1019061982.db2.gz JWTLYBZRBOKPGR-HOTGVXAUSA-N 2 0 315.461 3.991 20 0 DHADRP C[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc2cnccc2o1 ZINC000657838644 1019069475 /nfs/dbraw/zinc/06/94/75/1019069475.db2.gz DQMJFGDULPTLMH-OAGGEKHMSA-N 2 0 315.461 3.846 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CCc2ccc(F)c(F)c2)CC1(C)C ZINC001171624786 1032806052 /nfs/dbraw/zinc/80/60/52/1032806052.db2.gz XQCZOJSFYUQRDR-UHFFFAOYSA-N 2 0 310.432 3.748 20 0 DHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657839664 1019087222 /nfs/dbraw/zinc/08/72/22/1019087222.db2.gz DFARNLIAQMMNQI-TYCQWZJGSA-N 2 0 312.501 3.713 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3ccccc3C2)CC1(C)C ZINC001171623117 1032806833 /nfs/dbraw/zinc/80/68/33/1032806833.db2.gz LAFWBYUFHHPUOL-KRWDZBQOSA-N 2 0 300.490 3.785 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]1NCc1ccccc1OCc1ccccc1 ZINC000310394059 1019096663 /nfs/dbraw/zinc/09/66/63/1019096663.db2.gz FDDIXDMNJKZJQJ-HXUWFJFHSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1cccnc1[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000923328972 1019128583 /nfs/dbraw/zinc/12/85/83/1019128583.db2.gz YUWNMBVCQJVZJW-FBVQUNGASA-N 2 0 301.478 3.597 20 0 DHADRP CCc1nc(C)c([C@@H](C)[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000923324402 1019130711 /nfs/dbraw/zinc/13/07/11/1019130711.db2.gz GVTFZYNIHRFJFQ-WZYMTQMTSA-N 2 0 321.534 3.927 20 0 DHADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996764 1032810627 /nfs/dbraw/zinc/81/06/27/1032810627.db2.gz FFJOMPUDJURSTC-HNNXBMFYSA-N 2 0 323.278 3.522 20 0 DHADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996765 1032811553 /nfs/dbraw/zinc/81/15/53/1032811553.db2.gz FFJOMPUDJURSTC-OAHLLOKOSA-N 2 0 323.278 3.522 20 0 DHADRP C[NH+]1C(C)(C)CC(NC2CC[NH+](CC(C)(C)C)CC2)CC1(C)C ZINC001171627317 1032811672 /nfs/dbraw/zinc/81/16/72/1032811672.db2.gz OXXDEAVKIOVOBV-UHFFFAOYSA-N 2 0 323.569 3.738 20 0 DHADRP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449953 1019212614 /nfs/dbraw/zinc/21/26/14/1019212614.db2.gz RIFFVJVDBHESKT-DLBZAZTESA-N 2 0 322.880 3.621 20 0 DHADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000923480878 1019231505 /nfs/dbraw/zinc/23/15/05/1019231505.db2.gz LYDGRJCAEMTCNW-JTQLQIEISA-N 2 0 306.759 3.530 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)C1CC[NH+](C)CC1 ZINC000672624246 1019315075 /nfs/dbraw/zinc/31/50/75/1019315075.db2.gz UKUONBXNTWIEDS-AYOQOUSVSA-N 2 0 316.489 3.552 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000672614625 1019318928 /nfs/dbraw/zinc/31/89/28/1019318928.db2.gz ZRASPXLMHKCFOC-NEWSRXKRSA-N 2 0 316.489 3.794 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321328757 1019335180 /nfs/dbraw/zinc/33/51/80/1019335180.db2.gz STCRATKZLPMBMS-UNEWFSDZSA-N 2 0 324.415 3.813 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2scnc2C2CC2)cc1F ZINC000487552267 1019364939 /nfs/dbraw/zinc/36/49/39/1019364939.db2.gz PRUXFDCEYIBWAG-UHFFFAOYSA-N 2 0 319.449 3.511 20 0 DHADRP CCOCCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000090457390 1019391466 /nfs/dbraw/zinc/39/14/66/1019391466.db2.gz LEISCTJUTDVSOG-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]2c2ccncc2)CC1(C)C ZINC001171637935 1032834733 /nfs/dbraw/zinc/83/47/33/1032834733.db2.gz SZGOJDAHQPJGEL-KRWDZBQOSA-N 2 0 301.478 3.870 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043406 1019501850 /nfs/dbraw/zinc/50/18/50/1019501850.db2.gz JBPACQJKZGQMBW-RTWAWAEBSA-N 2 0 321.468 3.665 20 0 DHADRP FC(F)n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000858295119 1032836256 /nfs/dbraw/zinc/83/62/56/1032836256.db2.gz WCVWNHNMRDAQLW-GJZGRUSLSA-N 2 0 319.399 3.753 20 0 DHADRP COc1ccccc1CC[N@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639252 1032836280 /nfs/dbraw/zinc/83/62/80/1032836280.db2.gz BJEMDBPTTDVKGF-UHFFFAOYSA-N 2 0 318.505 3.821 20 0 DHADRP CN(Cc1ccc(Cl)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336719 1019559022 /nfs/dbraw/zinc/55/90/22/1019559022.db2.gz YFKOOWLTVFCBLP-MRXNPFEDSA-N 2 0 318.848 3.887 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000495078772 1019574857 /nfs/dbraw/zinc/57/48/57/1019574857.db2.gz KXPGLSCKVSTTDQ-UHFFFAOYSA-N 2 0 321.534 3.964 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000093742253 1019582251 /nfs/dbraw/zinc/58/22/51/1019582251.db2.gz CWYVAIHSWKYXPZ-IBGZPJMESA-N 2 0 323.484 3.912 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168703827 1019599855 /nfs/dbraw/zinc/59/98/55/1019599855.db2.gz BISOUWVOVUTTEF-ULQDDVLXSA-N 2 0 318.892 3.789 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001168703770 1019600304 /nfs/dbraw/zinc/60/03/04/1019600304.db2.gz AXFYGRHNZOSXPX-INIZCTEOSA-N 2 0 318.892 3.661 20 0 DHADRP CCOC1CCC([NH2+]Cc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000657871089 1019670908 /nfs/dbraw/zinc/67/09/08/1019670908.db2.gz IWMFIIMMVVKPRR-UHFFFAOYSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@@H]1C[C@H](n2c(C[NH3+])cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001171725876 1032847010 /nfs/dbraw/zinc/84/70/10/1032847010.db2.gz OSMSXRYHRJOSSJ-UZLBHIALSA-N 2 0 319.452 3.936 20 0 DHADRP C[C@H]1C[C@@H](n2ccc3c2cccc3C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001171726082 1032847177 /nfs/dbraw/zinc/84/71/77/1032847177.db2.gz CLVCZWDYWXJWNB-QFBILLFUSA-N 2 0 319.452 3.936 20 0 DHADRP CC[N@H+](CCc1cccs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000727758656 1019774459 /nfs/dbraw/zinc/77/44/59/1019774459.db2.gz IJEZHVNRYROGBJ-UHFFFAOYSA-N 2 0 302.487 3.874 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685421360 1019807818 /nfs/dbraw/zinc/80/78/18/1019807818.db2.gz VPQAZQPPUMLNGZ-KGLIPLIRSA-N 2 0 314.395 3.740 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1nccc2ccccc21 ZINC000685462766 1019841214 /nfs/dbraw/zinc/84/12/14/1019841214.db2.gz RBEZXFQBIPJXLO-UHFFFAOYSA-N 2 0 322.456 3.906 20 0 DHADRP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685463126 1019841915 /nfs/dbraw/zinc/84/19/15/1019841915.db2.gz JQPMPUOBWAIOCS-QGZVFWFLSA-N 2 0 306.881 3.812 20 0 DHADRP C[C@@H]([NH2+]C1(c2c(F)cccc2F)CCC1)C1CC[NH+](C)CC1 ZINC000624344547 1019855637 /nfs/dbraw/zinc/85/56/37/1019855637.db2.gz MRUJKMJEADIROE-CYBMUJFWSA-N 2 0 308.416 3.664 20 0 DHADRP C[C@H]([NH2+]C1(c2c(F)cccc2F)CCC1)C1CC[NH+](C)CC1 ZINC000624344548 1019857399 /nfs/dbraw/zinc/85/73/99/1019857399.db2.gz MRUJKMJEADIROE-ZDUSSCGKSA-N 2 0 308.416 3.664 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000708564399 1019879464 /nfs/dbraw/zinc/87/94/64/1019879464.db2.gz VEVGPSPJSLPRQY-JYBIWHBTSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC000708563982 1019882886 /nfs/dbraw/zinc/88/28/86/1019882886.db2.gz RBKIUFGFGQXFFC-YLJYHZDGSA-N 2 0 300.490 3.924 20 0 DHADRP CS[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000922212231 1019883264 /nfs/dbraw/zinc/88/32/64/1019883264.db2.gz PMDPZKHJEDVQSN-YRXWBPOGSA-N 2 0 318.530 3.596 20 0 DHADRP CCC[NH+]1CCC(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000167846714 1019885729 /nfs/dbraw/zinc/88/57/29/1019885729.db2.gz IGMBXXXKMORLRU-KRWDZBQOSA-N 2 0 317.521 3.580 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(N2CCCC2)c1 ZINC000168396271 1019889846 /nfs/dbraw/zinc/88/98/46/1019889846.db2.gz VHLGIMGDKMVNBN-IRXDYDNUSA-N 2 0 315.505 3.668 20 0 DHADRP CCOC1CCC([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000657899134 1019898913 /nfs/dbraw/zinc/89/89/13/1019898913.db2.gz AFBYZUDKTKOJJA-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@H](CC[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+](C)Cc1ccccc1 ZINC000628226838 1019907330 /nfs/dbraw/zinc/90/73/30/1019907330.db2.gz GNOQFUCBIRBIEQ-CABCVRRESA-N 2 0 310.432 3.920 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000671749900 1019928487 /nfs/dbraw/zinc/92/84/87/1019928487.db2.gz IQFGOLILNUOQCR-QRJUGERDSA-N 2 0 318.427 3.818 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000152525743 1032862811 /nfs/dbraw/zinc/86/28/11/1032862811.db2.gz UTZYDNXHAMUBHH-MRXNPFEDSA-N 2 0 304.478 3.541 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168717806 1019941102 /nfs/dbraw/zinc/94/11/02/1019941102.db2.gz KAGQRTRBSILCID-GOEBONIOSA-N 2 0 306.881 3.648 20 0 DHADRP C[C@@H](c1cccnc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264149801 1032863317 /nfs/dbraw/zinc/86/33/17/1032863317.db2.gz ZPYSTHXSWQVHTM-SFHVURJKSA-N 2 0 323.484 3.987 20 0 DHADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1C ZINC000657612651 1019969613 /nfs/dbraw/zinc/96/96/13/1019969613.db2.gz NYXNSCBYVZNKPN-UHFFFAOYSA-N 2 0 323.484 3.700 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000051694509 1020004374 /nfs/dbraw/zinc/00/43/74/1020004374.db2.gz MVXNZFCDGTZHOU-UHFFFAOYSA-N 2 0 304.434 3.914 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCSCC3)CC2)CC1 ZINC000657933128 1020007934 /nfs/dbraw/zinc/00/79/34/1020007934.db2.gz PWMMWELNLMEBSD-WWDZGPRUSA-N 2 0 310.551 3.905 20 0 DHADRP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(OC(F)F)cc1 ZINC000643508200 1032869642 /nfs/dbraw/zinc/86/96/42/1032869642.db2.gz SVIPTKNBKDKLRV-HNNXBMFYSA-N 2 0 300.393 3.717 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628232980 1020043391 /nfs/dbraw/zinc/04/33/91/1020043391.db2.gz XOMWIJXZVDAVKV-UHFFFAOYSA-N 2 0 314.395 3.712 20 0 DHADRP CC(C)(C)n1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000922511244 1020107355 /nfs/dbraw/zinc/10/73/55/1020107355.db2.gz ZKQKDWNHVAGCEF-UHFFFAOYSA-N 2 0 318.509 3.525 20 0 DHADRP COc1ccccc1C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000158648587 1020114141 /nfs/dbraw/zinc/11/41/41/1020114141.db2.gz GZVFKNSXNNPJLJ-VQIMIIECSA-N 2 0 318.505 3.582 20 0 DHADRP CC(C)CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658071088 1020130855 /nfs/dbraw/zinc/13/08/55/1020130855.db2.gz TYYYKJJNDGTDOH-FQEVSTJZSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000658071748 1020131040 /nfs/dbraw/zinc/13/10/40/1020131040.db2.gz YEPQPPYRBBULNO-FQEVSTJZSA-N 2 0 322.537 3.826 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071211 1020131117 /nfs/dbraw/zinc/13/11/17/1020131117.db2.gz VXAAYLSKSQYIKF-IRXDYDNUSA-N 2 0 310.526 3.682 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000658071749 1020132325 /nfs/dbraw/zinc/13/23/25/1020132325.db2.gz YEPQPPYRBBULNO-HXUWFJFHSA-N 2 0 322.537 3.826 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658095284 1020141733 /nfs/dbraw/zinc/14/17/33/1020141733.db2.gz FZPMAYGGNDFRMM-YCEFEEMOSA-N 2 0 316.489 3.650 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000658167405 1020199863 /nfs/dbraw/zinc/19/98/63/1020199863.db2.gz OUXBBJRJVWRNDD-GOSISDBHSA-N 2 0 323.484 3.953 20 0 DHADRP CCCCCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000765796430 1020210053 /nfs/dbraw/zinc/21/00/53/1020210053.db2.gz KKMAFQXZUXCNEE-WOJBJXKFSA-N 2 0 323.569 3.743 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000658247907 1020256266 /nfs/dbraw/zinc/25/62/66/1020256266.db2.gz AEPZHFMFBIDTFV-SJORKVTESA-N 2 0 322.537 3.559 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171790885 1032888842 /nfs/dbraw/zinc/88/88/42/1032888842.db2.gz VFQVQAYMSGJTGA-ZACQAIPSSA-N 2 0 304.453 3.536 20 0 DHADRP COc1ccc([C@H](C)C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922844282 1020301421 /nfs/dbraw/zinc/30/14/21/1020301421.db2.gz BHCCKHKJOLXNBU-PPDQVPDSSA-N 2 0 316.489 3.795 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000922847045 1020304273 /nfs/dbraw/zinc/30/42/73/1020304273.db2.gz JPLXOAJGYYJFQX-UHFFFAOYSA-N 2 0 305.491 3.517 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000922846562 1020304480 /nfs/dbraw/zinc/30/44/80/1020304480.db2.gz NEAOLUYWIOLWLD-ZZXKWVIFSA-N 2 0 302.437 3.836 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000922848526 1020307519 /nfs/dbraw/zinc/30/75/19/1020307519.db2.gz VUSLUTRTDUDCOL-UHFFFAOYSA-N 2 0 324.415 3.785 20 0 DHADRP COc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC001168357870 1032890906 /nfs/dbraw/zinc/89/09/06/1032890906.db2.gz IPHGGOMKTLPGTC-HXUWFJFHSA-N 2 0 314.473 3.610 20 0 DHADRP c1cncc([C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CCC2)c1 ZINC000658352553 1020320978 /nfs/dbraw/zinc/32/09/78/1020320978.db2.gz GVSJKRZISBNXSM-FQEVSTJZSA-N 2 0 313.489 3.634 20 0 DHADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1F ZINC000658357991 1020321937 /nfs/dbraw/zinc/32/19/37/1020321937.db2.gz XAPBLGMXLJSDBB-AWEZNQCLSA-N 2 0 320.452 3.607 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623654802 1020337734 /nfs/dbraw/zinc/33/77/34/1020337734.db2.gz JLQIHYZNQUXVRP-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCC2)cc1 ZINC000922887959 1020374801 /nfs/dbraw/zinc/37/48/01/1020374801.db2.gz HVNWVWRTBVXZAB-CMKODMSKSA-N 2 0 314.473 3.753 20 0 DHADRP Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000338675365 1020380550 /nfs/dbraw/zinc/38/05/50/1020380550.db2.gz UDTVYZFATRZEME-OAHLLOKOSA-N 2 0 313.420 3.604 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000282415697 1020393361 /nfs/dbraw/zinc/39/33/61/1020393361.db2.gz COJNYBXGMYCRMJ-KSSFIOAISA-N 2 0 317.452 3.560 20 0 DHADRP C[C@@H](CC[NH2+][C@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000193281394 1020393884 /nfs/dbraw/zinc/39/38/84/1020393884.db2.gz XUBKXLACGZKPND-LPHOPBHVSA-N 2 0 301.478 3.788 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826029 1020404997 /nfs/dbraw/zinc/40/49/97/1020404997.db2.gz CWIWNBJXYBLUBL-MOBUCQHHSA-N 2 0 324.468 3.792 20 0 DHADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000282421253 1020420714 /nfs/dbraw/zinc/42/07/14/1020420714.db2.gz DSNJOQAEYVNNOP-PKOBYXMFSA-N 2 0 319.468 3.806 20 0 DHADRP CSCc1cc(F)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000167133291 1020443881 /nfs/dbraw/zinc/44/38/81/1020443881.db2.gz VJPKAJATELYEPV-ZDUSSCGKSA-N 2 0 310.482 3.509 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000474472713 1020493990 /nfs/dbraw/zinc/49/39/90/1020493990.db2.gz SIHMPAGKEIXHJU-HSBZDZAISA-N 2 0 308.432 3.921 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000156048958 1020531704 /nfs/dbraw/zinc/53/17/04/1020531704.db2.gz PGQFKPLZTKFRKK-LLVKDONJSA-N 2 0 318.358 3.664 20 0 DHADRP c1csc(-c2ncc(CN(C3CC3)C3CC[NH2+]CC3)s2)c1 ZINC000647483004 1020589281 /nfs/dbraw/zinc/58/92/81/1020589281.db2.gz QQKWFWSTRTYPLV-UHFFFAOYSA-N 2 0 319.499 3.588 20 0 DHADRP Clc1n[nH]c(C2CC2)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000921738355 1020601285 /nfs/dbraw/zinc/60/12/85/1020601285.db2.gz RZLFFNHCAJRXTK-UHFFFAOYSA-N 2 0 324.900 3.686 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1)CC1CC1 ZINC000537847825 1032928338 /nfs/dbraw/zinc/92/83/38/1032928338.db2.gz VJJBUERXYKUIIJ-INIZCTEOSA-N 2 0 319.493 3.878 20 0 DHADRP CC1(C)C[C@@H](NCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171962904 1032932081 /nfs/dbraw/zinc/93/20/81/1032932081.db2.gz FMJJOIDZDIIPGD-IBGZPJMESA-N 2 0 309.457 3.614 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)C1CCN(C)CC1 ZINC001171968722 1032932271 /nfs/dbraw/zinc/93/22/71/1032932271.db2.gz IAILLGPYYSQEQG-ZDUSSCGKSA-N 2 0 314.395 3.662 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC001171962090 1032932380 /nfs/dbraw/zinc/93/23/80/1032932380.db2.gz BHOLWMQRKRKIBL-SFHVURJKSA-N 2 0 312.457 3.855 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171962345 1032932441 /nfs/dbraw/zinc/93/24/41/1032932441.db2.gz CMPNXLOZIBWKNB-OAHLLOKOSA-N 2 0 308.416 3.817 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000414065121 1020834974 /nfs/dbraw/zinc/83/49/74/1020834974.db2.gz FNGFMNJYZHKLPM-IAGOWNOFSA-N 2 0 308.510 3.575 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000414064582 1020834991 /nfs/dbraw/zinc/83/49/91/1020834991.db2.gz NNEJUWPKDHMWJQ-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP C[C@@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)C1CC[NH+](C)CC1 ZINC000858535605 1032935737 /nfs/dbraw/zinc/93/57/37/1032935737.db2.gz CUWRIXAIDOJIPT-CYBMUJFWSA-N 2 0 321.415 3.856 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414083963 1020863116 /nfs/dbraw/zinc/86/31/16/1020863116.db2.gz WSCDMLGRBLBQBU-CQSZACIVSA-N 2 0 303.475 3.803 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[C@H]1C ZINC000414085777 1020868141 /nfs/dbraw/zinc/86/81/41/1020868141.db2.gz YUTCNCIWIZCUIP-OLMNPRSZSA-N 2 0 306.519 3.984 20 0 DHADRP C[N@@H+]1CCC[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000716292016 1020902171 /nfs/dbraw/zinc/90/21/71/1020902171.db2.gz DLELSIXZKADRLX-ZDUSSCGKSA-N 2 0 301.261 3.610 20 0 DHADRP c1ccc(C[NH+]2CC(CNc3ccc4c([nH+]3)CCCC4)C2)cc1 ZINC000716297630 1020903606 /nfs/dbraw/zinc/90/36/06/1020903606.db2.gz IRUIYVYHNBMTKS-UHFFFAOYSA-N 2 0 307.441 3.504 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000414158531 1020945946 /nfs/dbraw/zinc/94/59/46/1020945946.db2.gz AHFKNWLPJSKGDM-PBHICJAKSA-N 2 0 306.881 3.735 20 0 DHADRP Cc1ncc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)o1 ZINC000414167842 1020955385 /nfs/dbraw/zinc/95/53/85/1020955385.db2.gz HHUTZTPNSGTPAV-UHFFFAOYSA-N 2 0 313.445 3.516 20 0 DHADRP C[NH+](C/C=C\C[N@@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000613433016 1020956920 /nfs/dbraw/zinc/95/69/20/1020956920.db2.gz YGKAWTZDIMXBKJ-ARJAWSKDSA-N 2 0 306.500 3.930 20 0 DHADRP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000414170065 1020958027 /nfs/dbraw/zinc/95/80/27/1020958027.db2.gz BOJXYOWIXNDBLX-QFBILLFUSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000414173111 1020960590 /nfs/dbraw/zinc/96/05/90/1020960590.db2.gz GERPCGFRFICDEE-UONOGXRCSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cc(F)ccc1F ZINC000171128501 1020982527 /nfs/dbraw/zinc/98/25/27/1020982527.db2.gz WVNRTAHCFAHNKX-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000716334360 1021012011 /nfs/dbraw/zinc/01/20/11/1021012011.db2.gz LGSZMRFTBBLKFY-UHFFFAOYSA-N 2 0 315.288 3.998 20 0 DHADRP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000414231594 1021017998 /nfs/dbraw/zinc/01/79/98/1021017998.db2.gz HJGPSEQCKINLKP-HNAYVOBHSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CS1 ZINC000414234060 1021018062 /nfs/dbraw/zinc/01/80/62/1021018062.db2.gz SFYAUYAFMPTRHQ-GYFISPQKSA-N 2 0 316.514 3.666 20 0 DHADRP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000414337550 1021108082 /nfs/dbraw/zinc/10/80/82/1021108082.db2.gz DOYNLXVLQSMICG-USYVTKNRSA-N 2 0 322.452 3.921 20 0 DHADRP C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973059 1032957010 /nfs/dbraw/zinc/95/70/10/1032957010.db2.gz VQRFULIODORVFD-APWZRJJASA-N 2 0 324.472 3.570 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000423219797 1021163323 /nfs/dbraw/zinc/16/33/23/1021163323.db2.gz ULUHHYUMWIYEIF-ZBCRRDGASA-N 2 0 323.278 3.686 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423269888 1021165371 /nfs/dbraw/zinc/16/53/71/1021165371.db2.gz HGDKREYAHDJWLF-LMRVLLHPSA-N 2 0 306.416 3.723 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000423296547 1021167487 /nfs/dbraw/zinc/16/74/87/1021167487.db2.gz ZIAJQYIVUQLDRD-ZLGUVYLKSA-N 2 0 323.484 3.631 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000537987737 1032960877 /nfs/dbraw/zinc/96/08/77/1032960877.db2.gz PTQUCJAGERIOGP-DOMZBBRYSA-N 2 0 312.860 3.687 20 0 DHADRP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000091333247 1021277201 /nfs/dbraw/zinc/27/72/01/1021277201.db2.gz VFQUQQIYLCKUHH-OXJNMPFZSA-N 2 0 316.489 3.856 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000537991622 1032964656 /nfs/dbraw/zinc/96/46/56/1032964656.db2.gz VUUWGNDZEUWJMQ-VQIMIIECSA-N 2 0 304.478 3.509 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000091367783 1021280400 /nfs/dbraw/zinc/28/04/00/1021280400.db2.gz NAPKGBZFALKERV-ZIFCJYIRSA-N 2 0 302.462 3.609 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCC(C(F)(F)F)CC1 ZINC000449559987 1021314659 /nfs/dbraw/zinc/31/46/59/1021314659.db2.gz DRZVRDSOEFPBQV-WSFUHELOSA-N 2 0 318.427 3.958 20 0 DHADRP CCO[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986941 1032969708 /nfs/dbraw/zinc/96/97/08/1032969708.db2.gz NGYWYECSECJGDL-RTBURBONSA-N 2 0 316.489 3.540 20 0 DHADRP [NH3+][C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1F ZINC001206154418 1032979143 /nfs/dbraw/zinc/97/91/43/1032979143.db2.gz IXQSOFVYKDOSPI-OALUTQOASA-N 2 0 314.404 3.740 20 0 DHADRP C[C@@H]([NH3+])c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172074431 1032981242 /nfs/dbraw/zinc/98/12/42/1032981242.db2.gz VHMMSUZGIQDIIK-YSHGAJCASA-N 2 0 324.472 3.661 20 0 DHADRP CC[NH+](CC)CCCNCc1cc(F)cc(C(F)(F)F)c1 ZINC000129417305 1021484399 /nfs/dbraw/zinc/48/43/99/1021484399.db2.gz NOOYYNNLDJMHJD-UHFFFAOYSA-N 2 0 306.347 3.666 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850470431 1021555025 /nfs/dbraw/zinc/55/50/25/1021555025.db2.gz BCSLVGUMBGKFNV-QGZVFWFLSA-N 2 0 316.489 3.928 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100204 1032988886 /nfs/dbraw/zinc/98/88/86/1032988886.db2.gz AZBNTFADICQLAW-BCDXTJNWSA-N 2 0 302.462 3.579 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129723309 1021563985 /nfs/dbraw/zinc/56/39/85/1021563985.db2.gz WXSHDXWVTKJVOM-HUUCEWRRSA-N 2 0 306.416 3.819 20 0 DHADRP COC[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093337859 1021566391 /nfs/dbraw/zinc/56/63/91/1021566391.db2.gz FJGOOIXGCINVSB-IBGZPJMESA-N 2 0 318.505 3.503 20 0 DHADRP C[N@H+](Cc1cccc(OCc2ccccc2)c1)C1CCC([NH3+])CC1 ZINC000394415256 1021566867 /nfs/dbraw/zinc/56/68/67/1021566867.db2.gz JFQNUWNEGIYITN-UHFFFAOYSA-N 2 0 324.468 3.967 20 0 DHADRP C[C@H](CC(C)(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850514909 1021573101 /nfs/dbraw/zinc/57/31/01/1021573101.db2.gz RVLXSUGZNZLUMT-MRXNPFEDSA-N 2 0 303.494 3.708 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000181617884 1021574497 /nfs/dbraw/zinc/57/44/97/1021574497.db2.gz KXUXRCYOKIONHR-IUODEOHRSA-N 2 0 300.368 3.840 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000070169307 1021576030 /nfs/dbraw/zinc/57/60/30/1021576030.db2.gz NQDMOVAQAFFMGZ-GFCCVEGCSA-N 2 0 318.408 3.859 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000850523870 1021577002 /nfs/dbraw/zinc/57/70/02/1021577002.db2.gz QLKKFTROZZTAGH-QGZVFWFLSA-N 2 0 322.537 3.967 20 0 DHADRP Cc1nccn1CCCC[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000337428592 1032989991 /nfs/dbraw/zinc/98/99/91/1032989991.db2.gz XWCIQSDRVCWVEE-IBGZPJMESA-N 2 0 315.436 3.851 20 0 DHADRP CN1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H]1c1ccccc1 ZINC000556172107 1021587666 /nfs/dbraw/zinc/58/76/66/1021587666.db2.gz UGYGFTSCTYQXRQ-OKZBNKHCSA-N 2 0 316.489 3.758 20 0 DHADRP CN1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000556177841 1021590818 /nfs/dbraw/zinc/59/08/18/1021590818.db2.gz OQWJJGZUIOUTSL-BHYGNILZSA-N 2 0 308.416 3.847 20 0 DHADRP Cc1nc(-c2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2)cs1 ZINC000892762531 1021601698 /nfs/dbraw/zinc/60/16/98/1021601698.db2.gz BHIUNWNACOMBDL-UHFFFAOYSA-N 2 0 315.486 3.550 20 0 DHADRP CCOc1ccccc1[C@H](CC)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892779104 1021613201 /nfs/dbraw/zinc/61/32/01/1021613201.db2.gz KQAULRNYLYAOAM-MMNRESRNSA-N 2 0 302.462 3.751 20 0 DHADRP COc1cc(Cl)c(C[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000415013856 1021617712 /nfs/dbraw/zinc/61/77/12/1021617712.db2.gz LIDAHNPMNVBJIH-JTQLQIEISA-N 2 0 305.249 3.609 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCc1ccc(C(F)(F)F)cc1 ZINC000643075757 1021622069 /nfs/dbraw/zinc/62/20/69/1021622069.db2.gz ABJKZYCDCVSYFJ-HNNXBMFYSA-N 2 0 314.395 3.616 20 0 DHADRP c1cc(-c2ccccc2)oc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596864 1021629295 /nfs/dbraw/zinc/62/92/95/1021629295.db2.gz SGRYRGPKMPKSAF-QGZVFWFLSA-N 2 0 310.441 3.864 20 0 DHADRP C[C@@H]([NH3+])c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068381 1032993389 /nfs/dbraw/zinc/99/33/89/1032993389.db2.gz QKJVITOYPRMJDH-YSHGAJCASA-N 2 0 324.472 3.661 20 0 DHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1N(C)C ZINC000093941498 1021700820 /nfs/dbraw/zinc/70/08/20/1021700820.db2.gz SVXIDPFRQLBGCD-CQSZACIVSA-N 2 0 303.494 3.712 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC13CC4CC(CC(C4)C1)C3)C2 ZINC001172103139 1033006991 /nfs/dbraw/zinc/00/69/91/1033006991.db2.gz SKZNRSHAYLSLBJ-AQZMNVHHSA-N 2 0 302.506 3.808 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000556589034 1021781382 /nfs/dbraw/zinc/78/13/82/1021781382.db2.gz HHDUDCZTYQZMJX-IRXDYDNUSA-N 2 0 304.478 3.858 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC001172105919 1033003569 /nfs/dbraw/zinc/00/35/69/1033003569.db2.gz LDZGBOVGJNCQKU-BCDXTJNWSA-N 2 0 314.473 3.505 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC000538207325 1033011251 /nfs/dbraw/zinc/01/12/51/1033011251.db2.gz CDXVNGVMZVHAJY-UHFFFAOYSA-N 2 0 315.288 4.000 20 0 DHADRP [NH3+]CC[C@H]1CCCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000261996356 1021861228 /nfs/dbraw/zinc/86/12/28/1021861228.db2.gz ULSLECROLMDWHX-MRXNPFEDSA-N 2 0 319.836 3.698 20 0 DHADRP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110893 1033012166 /nfs/dbraw/zinc/01/21/66/1033012166.db2.gz QWPQXLBMCKHVKZ-GBWWWVLNSA-N 2 0 319.537 3.516 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cccc(Cl)c1F)C2 ZINC001172111336 1033013345 /nfs/dbraw/zinc/01/33/45/1033013345.db2.gz QMGMKIAXTVFGMY-QDMKHBRRSA-N 2 0 310.844 3.627 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000556865374 1021900600 /nfs/dbraw/zinc/90/06/00/1021900600.db2.gz LKKQKVDYJRLSGA-IKGGRYGDSA-N 2 0 324.921 3.895 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)c1)C2 ZINC001172115890 1033014425 /nfs/dbraw/zinc/01/44/25/1033014425.db2.gz VVFQNHBMYBDNLP-NNZMDNLPSA-N 2 0 316.489 3.969 20 0 DHADRP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556868806 1021910171 /nfs/dbraw/zinc/91/01/71/1021910171.db2.gz WEJRTWZZJMJQHM-GUDVDZBRSA-N 2 0 316.489 3.746 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000556869356 1021911893 /nfs/dbraw/zinc/91/18/93/1021911893.db2.gz GXIIACHHAMNDJE-GJZGRUSLSA-N 2 0 310.432 3.607 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)C1 ZINC000556934490 1021956927 /nfs/dbraw/zinc/95/69/27/1021956927.db2.gz WEBGOUWSUIDEAV-ACRUOGEOSA-N 2 0 312.501 3.915 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CSc3ccccc3C2)cc1 ZINC001172183383 1033022473 /nfs/dbraw/zinc/02/24/73/1033022473.db2.gz DHSAPKUHQOSJEW-GOSISDBHSA-N 2 0 312.482 3.555 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1 ZINC000925476377 1022023891 /nfs/dbraw/zinc/02/38/91/1022023891.db2.gz BDDLOYSSUQZXFU-GOSISDBHSA-N 2 0 304.384 3.577 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000620119789 1022039611 /nfs/dbraw/zinc/03/96/11/1022039611.db2.gz OJANSAXCBYCWLK-SJLPKXTDSA-N 2 0 304.478 3.543 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CSc2ccccc2C1 ZINC001172185584 1033029009 /nfs/dbraw/zinc/02/90/09/1033029009.db2.gz SYBYPRXKNYDRED-DOTOQJQBSA-N 2 0 306.519 3.804 20 0 DHADRP CC(C)n1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000766511587 1022160933 /nfs/dbraw/zinc/16/09/33/1022160933.db2.gz FDMXRARINYCWTO-IPJUCJBFSA-N 2 0 318.509 3.912 20 0 DHADRP c1csc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001204017832 1022167785 /nfs/dbraw/zinc/16/77/85/1022167785.db2.gz AXGVXSQWELGLLD-QZTJIDSGSA-N 2 0 312.482 3.702 20 0 DHADRP CC(C)c1cccc([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000624014837 1022175162 /nfs/dbraw/zinc/17/51/62/1022175162.db2.gz IOTXXJMQZMQNEK-UZLBHIALSA-N 2 0 316.489 3.714 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CCCO2 ZINC000852782302 1022177282 /nfs/dbraw/zinc/17/72/82/1022177282.db2.gz IWWDMJSOTULPDO-YJBOKZPZSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205995962 1022183610 /nfs/dbraw/zinc/18/36/10/1022183610.db2.gz SISHRKKYDPIDNO-VXGBXAGGSA-N 2 0 318.358 3.651 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205996336 1022225820 /nfs/dbraw/zinc/22/58/20/1022225820.db2.gz WHHQADXPJOEAIH-JSGCOSHPSA-N 2 0 300.368 3.512 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241759 1022241169 /nfs/dbraw/zinc/24/11/69/1022241169.db2.gz XOEJYSHLBKAGGE-FUHWJXTLSA-N 2 0 316.489 3.858 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C(F)(F)F ZINC001169098090 1022243382 /nfs/dbraw/zinc/24/33/82/1022243382.db2.gz FSGCPFLLMBMODK-QDMKHBRRSA-N 2 0 312.379 3.729 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(C)c(C)o2)[C@@H](C)C1 ZINC000337508750 1033040965 /nfs/dbraw/zinc/04/09/65/1033040965.db2.gz HMVZNZWFEZQZGB-BQFCYCMXSA-N 2 0 322.493 3.684 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCSCc1ccccc1Cl)C2 ZINC001169090345 1022257007 /nfs/dbraw/zinc/25/70/07/1022257007.db2.gz JMCZSASSLNXURR-PHZGNYQRSA-N 2 0 324.921 3.788 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Cc3ccc(F)cc3)CC1)C2 ZINC001169142583 1022275762 /nfs/dbraw/zinc/27/57/62/1022275762.db2.gz DGYHQEWOEFACSM-ACDBMABISA-N 2 0 316.464 3.705 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Cc3cccc(F)c3)CC1)C2 ZINC001169153286 1022281523 /nfs/dbraw/zinc/28/15/23/1022281523.db2.gz IPJNDJAWCPIZPM-PMOLBWCYSA-N 2 0 316.464 3.705 20 0 DHADRP CC(C)([NH3+])c1ccccc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169154864 1022284132 /nfs/dbraw/zinc/28/41/32/1022284132.db2.gz ZAIVSHJSDSBXMM-IFXJQAMLSA-N 2 0 303.494 3.836 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nsc3ccccc32)C[C@@H]1C ZINC000659983660 1022292097 /nfs/dbraw/zinc/29/20/97/1022292097.db2.gz RZIJKPLVUWEAGQ-GJZGRUSLSA-N 2 0 317.502 3.643 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925539814 1022293829 /nfs/dbraw/zinc/29/38/29/1022293829.db2.gz DHWYXZAZBNPHFP-MGPQQGTHSA-N 2 0 304.400 3.619 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000154493189 1022301880 /nfs/dbraw/zinc/30/18/80/1022301880.db2.gz LOBOPQAPPUWLPO-OALUTQOASA-N 2 0 323.569 3.599 20 0 DHADRP CC[NH+]1CCC([NH2+]CCCc2ccc(Cl)cc2Cl)CC1 ZINC001169230392 1022311997 /nfs/dbraw/zinc/31/19/97/1022311997.db2.gz APFDWOLGVPCDBY-UHFFFAOYSA-N 2 0 315.288 4.000 20 0 DHADRP C[N@H+](CCCC1CCC1)C1CCN(CCc2ccccn2)CC1 ZINC000659991431 1022312753 /nfs/dbraw/zinc/31/27/53/1022312753.db2.gz QRYHPCNBZYRDJO-UHFFFAOYSA-N 2 0 315.505 3.601 20 0 DHADRP CC[NH+]1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC001169244169 1022322843 /nfs/dbraw/zinc/32/28/43/1022322843.db2.gz FIVBAFIOLKESQZ-SFHVURJKSA-N 2 0 306.881 3.908 20 0 DHADRP Clc1cccc(SCC[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000659999849 1022323657 /nfs/dbraw/zinc/32/36/57/1022323657.db2.gz WRKSECGCTWXXSN-UHFFFAOYSA-N 2 0 321.877 3.966 20 0 DHADRP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000155128908 1022369578 /nfs/dbraw/zinc/36/95/78/1022369578.db2.gz RIDAVCMDSDGMKK-IEBWSBKVSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925551135 1022381696 /nfs/dbraw/zinc/38/16/96/1022381696.db2.gz AESBOXPCEITHSV-AZUAARDMSA-N 3 0 317.521 3.568 20 0 DHADRP FCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000367626462 1022388074 /nfs/dbraw/zinc/38/80/74/1022388074.db2.gz OFJSUFMQGIPMLO-WMLDXEAASA-N 2 0 310.482 3.830 20 0 DHADRP CC(C)[NH+](CCCNC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000155809043 1022422813 /nfs/dbraw/zinc/42/28/13/1022422813.db2.gz FTKQOIBQQIFJFD-UHFFFAOYSA-N 2 0 323.569 3.882 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000671098756 1022442042 /nfs/dbraw/zinc/44/20/42/1022442042.db2.gz YQQVVQVMVPTCED-QGZVFWFLSA-N 2 0 318.505 3.822 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@H]2CSc3ccccc3C2)CC1 ZINC001172196938 1033057424 /nfs/dbraw/zinc/05/74/24/1033057424.db2.gz JBTBODPIDIBWKR-KZNAEPCWSA-N 2 0 316.514 3.685 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000132736495 1033057847 /nfs/dbraw/zinc/05/78/47/1033057847.db2.gz NPRBYBWPIHNJJH-FXAWDEMLSA-N 2 0 316.489 3.618 20 0 DHADRP Cc1ccc(OCCC[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000615462730 1022491368 /nfs/dbraw/zinc/49/13/68/1022491368.db2.gz BNGAKHQUAHATSD-UHFFFAOYSA-N 2 0 318.505 3.736 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052598 1022517419 /nfs/dbraw/zinc/51/74/19/1022517419.db2.gz ULNWCKGPBVOBHH-JKSUJKDBSA-N 2 0 304.478 3.856 20 0 DHADRP Cc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000157079209 1022519222 /nfs/dbraw/zinc/51/92/22/1022519222.db2.gz KQKMMMKTPFHUQU-SFHVURJKSA-N 2 0 315.505 3.867 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)C(C)C ZINC000364001510 1022564535 /nfs/dbraw/zinc/56/45/35/1022564535.db2.gz LOSGDUXLVHJFJS-ZWKOTPCHSA-N 2 0 320.525 3.545 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)C(C)C)CC1 ZINC001172246707 1033065496 /nfs/dbraw/zinc/06/54/96/1033065496.db2.gz QJUMLXVXKCPVRR-LJQANCHMSA-N 2 0 322.468 3.613 20 0 DHADRP C[C@@H]1C[N@H+](Cc2csc(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206024371 1022590227 /nfs/dbraw/zinc/59/02/27/1022590227.db2.gz IXKRCYSIHRHLPZ-PWSUYJOCSA-N 2 0 306.397 3.574 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000158211979 1022615213 /nfs/dbraw/zinc/61/52/13/1022615213.db2.gz HHAQVXGJAZNWJM-ZFWWWQNUSA-N 2 0 312.404 3.671 20 0 DHADRP CC(C)n1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000171840782 1022652880 /nfs/dbraw/zinc/65/28/80/1022652880.db2.gz WIFZONUOCATEJV-UHFFFAOYSA-N 2 0 314.477 3.594 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc4ccccc43)CC[C@@H]21 ZINC000158646420 1022654218 /nfs/dbraw/zinc/65/42/18/1022654218.db2.gz PVDJHTPQOWVRTA-ICSRJNTNSA-N 2 0 324.468 3.635 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000316049542 1022676651 /nfs/dbraw/zinc/67/66/51/1022676651.db2.gz NNBFSFJZNLEIEJ-GFCCVEGCSA-N 2 0 319.836 3.554 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCC2)CC[N@@H+]1C ZINC000158982385 1022679221 /nfs/dbraw/zinc/67/92/21/1022679221.db2.gz VOYSOXGLRGCBAT-PBHICJAKSA-N 2 0 306.881 3.834 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCSCc2ccc(C)cc2)[C@H](C)C1 ZINC000158964256 1022679841 /nfs/dbraw/zinc/67/98/41/1022679841.db2.gz KBWSIENCBDFMFX-AEFFLSMTSA-N 2 0 306.519 3.548 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417324364 1022684627 /nfs/dbraw/zinc/68/46/27/1022684627.db2.gz CMNLBQQOLZWQRU-HRCADAONSA-N 2 0 306.519 3.952 20 0 DHADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000132917565 1033083057 /nfs/dbraw/zinc/08/30/57/1033083057.db2.gz IFWKFQNYSSRTFR-DLBZAZTESA-N 2 0 316.489 3.579 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000584807370 1022759869 /nfs/dbraw/zinc/75/98/69/1022759869.db2.gz VTOJVZBOMFLZQD-YJVWJLORSA-N 2 0 308.416 3.673 20 0 DHADRP Cc1noc(C)c1[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925618505 1022840066 /nfs/dbraw/zinc/84/00/66/1022840066.db2.gz WIAVXSIJBYXWSI-NNGSBXSVSA-N 2 0 319.493 3.985 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000893327730 1022910942 /nfs/dbraw/zinc/91/09/42/1022910942.db2.gz NYJKMSVNWKOCRC-UHFFFAOYSA-N 2 0 316.420 3.661 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000414923260 1022912327 /nfs/dbraw/zinc/91/23/27/1022912327.db2.gz ICGQGVYOIAVVOO-SFYZADRCSA-N 2 0 323.687 3.524 20 0 DHADRP Cc1ccc(C[N@H+]([C@@H]2COC(C)(C)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172282381 1033092370 /nfs/dbraw/zinc/09/23/70/1033092370.db2.gz SSAMMODGPXERCK-FHWLQOOXSA-N 2 0 316.489 3.634 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000164647013 1022957352 /nfs/dbraw/zinc/95/73/52/1022957352.db2.gz WOQZGIOXKNCHAR-KRWDZBQOSA-N 2 0 306.498 3.771 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000164988167 1022967096 /nfs/dbraw/zinc/96/70/96/1022967096.db2.gz KJDUEFVODSAELD-JZXOWHBKSA-N 2 0 324.534 3.926 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@H]1CCOC1 ZINC000164998408 1022967130 /nfs/dbraw/zinc/96/71/30/1022967130.db2.gz YWSAPOZDYRGLDH-OVWQWFNUSA-N 2 0 322.518 3.536 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000165315527 1022977816 /nfs/dbraw/zinc/97/78/16/1022977816.db2.gz QRKBBQMJJLUEDA-ZACQAIPSSA-N 2 0 304.478 3.509 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000165315399 1022977960 /nfs/dbraw/zinc/97/79/60/1022977960.db2.gz QRKBBQMJJLUEDA-BBWFWOEESA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000296050825 1023002480 /nfs/dbraw/zinc/00/24/80/1023002480.db2.gz VCYNFVRVWFLMKH-RJPYNODJSA-N 2 0 312.379 3.981 20 0 DHADRP CCOc1ccc(C[C@@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000651489827 1023034716 /nfs/dbraw/zinc/03/47/16/1023034716.db2.gz LYJYIUDBJRERGS-IAGOWNOFSA-N 2 0 318.505 3.584 20 0 DHADRP CCOc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000651489559 1023035381 /nfs/dbraw/zinc/03/53/81/1023035381.db2.gz AFLDRHAFDAUXHD-QGZVFWFLSA-N 2 0 318.505 3.726 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000859212766 1033100852 /nfs/dbraw/zinc/10/08/52/1033100852.db2.gz OSKAYRXBLYIHDW-HNNXBMFYSA-N 2 0 315.288 3.764 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(C2([NH3+])CCC2)cc1 ZINC001167753245 1023045225 /nfs/dbraw/zinc/04/52/25/1023045225.db2.gz MZAROTSBEHKKTO-INIZCTEOSA-N 2 0 301.478 3.701 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000643514101 1033104883 /nfs/dbraw/zinc/10/48/83/1033104883.db2.gz XSQFYKMACXZDES-ZMZPIMSZSA-N 2 0 302.368 3.762 20 0 DHADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000769329264 1023125274 /nfs/dbraw/zinc/12/52/74/1023125274.db2.gz KQHXQWSMJASXDZ-UXHICEINSA-N 2 0 300.490 3.986 20 0 DHADRP Cc1ccc2cc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2n1 ZINC000322763503 1023160638 /nfs/dbraw/zinc/16/06/38/1023160638.db2.gz GXPYRCMRMROYLD-WOJBJXKFSA-N 2 0 309.457 3.650 20 0 DHADRP C[C@H]1C[C@@H](CC[NH2+]C2CC(C(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000769538491 1023175585 /nfs/dbraw/zinc/17/55/85/1023175585.db2.gz OUDMIPIGDKFWDH-VFPGXZCRSA-N 2 0 322.443 3.920 20 0 DHADRP Clc1cnc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)s1 ZINC000769916418 1023232113 /nfs/dbraw/zinc/23/21/13/1023232113.db2.gz JEDVYEYVCRGMNW-UHFFFAOYSA-N 2 0 313.898 3.683 20 0 DHADRP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001172341091 1033126981 /nfs/dbraw/zinc/12/69/81/1033126981.db2.gz MMZLBPYNBZXWJT-IAGOWNOFSA-N 2 0 310.526 3.634 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651704981 1023482311 /nfs/dbraw/zinc/48/23/11/1023482311.db2.gz BTEPOVYOWOWWLS-OAHLLOKOSA-N 2 0 310.844 3.788 20 0 DHADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000651748492 1023518291 /nfs/dbraw/zinc/51/82/91/1023518291.db2.gz NXHRKRYEAJDYPJ-APWZRJJASA-N 2 0 301.478 3.856 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172367170 1033146361 /nfs/dbraw/zinc/14/63/61/1033146361.db2.gz FTNFHXBVBKCKMB-LHDHZVESSA-N 2 0 315.505 3.978 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001172361461 1033141792 /nfs/dbraw/zinc/14/17/92/1033141792.db2.gz WZROAQDFQVBQMH-SOLBZPMBSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C ZINC001172368895 1033148896 /nfs/dbraw/zinc/14/88/96/1033148896.db2.gz KJSLEFJQQKNPEZ-ZIFCJYIRSA-N 2 0 315.505 3.708 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893472006 1023659033 /nfs/dbraw/zinc/65/90/33/1023659033.db2.gz XJVMVEIQVTVQCP-UHFFFAOYSA-N 2 0 300.368 3.585 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172371149 1033152092 /nfs/dbraw/zinc/15/20/92/1033152092.db2.gz XDWGNWZWCLZWNS-DSJDWBEOSA-N 2 0 315.505 3.978 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172371118 1033152154 /nfs/dbraw/zinc/15/21/54/1033152154.db2.gz WWTCJRMEIPUUGT-LHDHZVESSA-N 2 0 315.505 3.978 20 0 DHADRP FCC[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661688666 1023687907 /nfs/dbraw/zinc/68/79/07/1023687907.db2.gz JRMYNGVEPJJESO-QLJMBOKNSA-N 2 0 314.464 3.686 20 0 DHADRP CCOCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172409065 1033156365 /nfs/dbraw/zinc/15/63/65/1033156365.db2.gz OSNRFNWHHBTDHT-RSPOEFSDSA-N 2 0 316.489 3.587 20 0 DHADRP CC[C@@H]([NH2+]Cc1cncc(C[NH2+][C@@H](CC)C2CC2)c1)C1CC1 ZINC000661761857 1023734455 /nfs/dbraw/zinc/73/44/55/1023734455.db2.gz JQENBTHEJJLVAO-KDURUIRLSA-N 2 0 301.478 3.638 20 0 DHADRP CC[C@](C)([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1nc(C)cs1 ZINC000652339637 1023798550 /nfs/dbraw/zinc/79/85/50/1023798550.db2.gz DVMLDQWFNOPDOF-SFHVURJKSA-N 2 0 315.486 3.512 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347969 1023806566 /nfs/dbraw/zinc/80/65/66/1023806566.db2.gz QDMJWIHEIGSHSM-KCMWZYNZSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347970 1023806603 /nfs/dbraw/zinc/80/66/03/1023806603.db2.gz QDMJWIHEIGSHSM-SIUPPRGNSA-N 2 0 322.880 3.619 20 0 DHADRP CC(C)(C)[NH+]1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000236760517 1023809435 /nfs/dbraw/zinc/80/94/35/1023809435.db2.gz AAUYWQBLGYIBRG-UHFFFAOYSA-N 2 0 316.489 3.753 20 0 DHADRP C[C@@H]1SCC[N@H+](CC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000788481032 1023891638 /nfs/dbraw/zinc/89/16/38/1023891638.db2.gz OWBTUKWRTAILBI-MAUKXSAKSA-N 2 0 304.503 3.507 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000788607938 1023912145 /nfs/dbraw/zinc/91/21/45/1023912145.db2.gz ZSCCRBPXXZODAS-UHFFFAOYSA-N 2 0 310.551 3.906 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788671763 1023922905 /nfs/dbraw/zinc/92/29/05/1023922905.db2.gz NOZRITJISWPATD-HOCLYGCPSA-N 2 0 321.896 3.680 20 0 DHADRP CC[C@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001172393205 1033176372 /nfs/dbraw/zinc/17/63/72/1033176372.db2.gz ISLMJEMSJGKPDJ-LJQANCHMSA-N 2 0 303.494 3.708 20 0 DHADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000876896698 1033178385 /nfs/dbraw/zinc/17/83/85/1033178385.db2.gz LBABJRKZKRGXSM-XFQAVAEZSA-N 2 0 318.442 3.564 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(O)c1 ZINC000194840325 1024016415 /nfs/dbraw/zinc/01/64/15/1024016415.db2.gz MHEJONBXNVPOLM-MRXNPFEDSA-N 2 0 310.441 3.839 20 0 DHADRP CN(Cc1nc2ccccc2s1)Cc1cccc2c1CC[NH2+]C2 ZINC000662259687 1024042918 /nfs/dbraw/zinc/04/29/18/1024042918.db2.gz AFROJIINKPEXOD-UHFFFAOYSA-N 2 0 323.465 3.574 20 0 DHADRP CSc1ccccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294257 1024076862 /nfs/dbraw/zinc/07/68/62/1024076862.db2.gz QNHPFDSYWFBCRK-INIZCTEOSA-N 2 0 304.503 3.620 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c2ccccc2n1 ZINC000662295062 1024077982 /nfs/dbraw/zinc/07/79/82/1024077982.db2.gz YZAFNVLJSMZGFZ-SFHVURJKSA-N 2 0 323.484 3.755 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294575 1024078761 /nfs/dbraw/zinc/07/87/61/1024078761.db2.gz CMBUFTSXSKFCHD-XJKSGUPXSA-N 2 0 308.416 3.737 20 0 DHADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1Cl ZINC000662293319 1024079209 /nfs/dbraw/zinc/07/92/09/1024079209.db2.gz KFWNPUGQTPENOI-OAHLLOKOSA-N 2 0 322.880 3.560 20 0 DHADRP C[C@@H]1CCC[N@H+](CCc2nsc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662312627 1024098504 /nfs/dbraw/zinc/09/85/04/1024098504.db2.gz IRTGSRWJLJKZRC-RHSMWYFYSA-N 2 0 317.502 3.678 20 0 DHADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325619 1024106979 /nfs/dbraw/zinc/10/69/79/1024106979.db2.gz NVZCGVXWRWUUKP-YLJYHZDGSA-N 2 0 318.505 3.914 20 0 DHADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876947756 1033188930 /nfs/dbraw/zinc/18/89/30/1033188930.db2.gz GDVHMLILGJGXET-SZNDQCEHSA-N 2 0 318.442 3.562 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193507981 1024157284 /nfs/dbraw/zinc/15/72/84/1024157284.db2.gz JDVRBYRNJNJCKB-HOTGVXAUSA-N 2 0 302.462 3.610 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001170118983 1024161950 /nfs/dbraw/zinc/16/19/50/1024161950.db2.gz VLNXEJATRNWDKM-QAPCUYQASA-N 2 0 304.453 3.816 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663345628 1024176251 /nfs/dbraw/zinc/17/62/51/1024176251.db2.gz MALZCWLQOPOAIJ-NVXWUHKLSA-N 2 0 304.453 3.641 20 0 DHADRP Fc1c(Cl)cccc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346244 1024176288 /nfs/dbraw/zinc/17/62/88/1024176288.db2.gz ROPGQFBJTKIWHN-CQSZACIVSA-N 2 0 310.844 3.691 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3ccc(O)cc3)CC2)C1 ZINC000268841711 1024177655 /nfs/dbraw/zinc/17/76/55/1024177655.db2.gz ZRGNBIHAYUGVAQ-APWZRJJASA-N 2 0 316.489 3.567 20 0 DHADRP COc1cccc(C[N@H+]([C@@H]2CC[C@H](C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001170122005 1024187330 /nfs/dbraw/zinc/18/73/30/1024187330.db2.gz OTTPDLBVDHERCS-DSLXNQLJSA-N 2 0 316.489 3.956 20 0 DHADRP CSC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269012699 1024220392 /nfs/dbraw/zinc/22/03/92/1024220392.db2.gz XWCSBGMHMWLNNC-WBVHZDCISA-N 2 0 306.519 3.628 20 0 DHADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000876971456 1033194696 /nfs/dbraw/zinc/19/46/96/1033194696.db2.gz AFWNXGUITFSSNQ-KRWDZBQOSA-N 2 0 316.489 3.588 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000876981011 1033196772 /nfs/dbraw/zinc/19/67/72/1033196772.db2.gz LTUDPGABFLBCBY-HNNXBMFYSA-N 2 0 315.288 3.810 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269063211 1024234735 /nfs/dbraw/zinc/23/47/35/1024234735.db2.gz YFLVZQKEXMQUDE-HNNXBMFYSA-N 2 0 304.453 3.753 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC3 ZINC000278868865 1024236271 /nfs/dbraw/zinc/23/62/71/1024236271.db2.gz WUDLCDKAKGKZHZ-MGNMYUMUSA-N 2 0 323.484 3.548 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000876981012 1033197160 /nfs/dbraw/zinc/19/71/60/1033197160.db2.gz LTUDPGABFLBCBY-OAHLLOKOSA-N 2 0 315.288 3.810 20 0 DHADRP Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC001170132843 1024274206 /nfs/dbraw/zinc/27/42/06/1024274206.db2.gz OGXBMBIDXGRRIX-NVXWUHKLSA-N 2 0 309.457 3.854 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000531699903 1024274621 /nfs/dbraw/zinc/27/46/21/1024274621.db2.gz RNYFYXJLJSIQQJ-KRWDZBQOSA-N 2 0 304.478 3.852 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1F ZINC000531699232 1024275347 /nfs/dbraw/zinc/27/53/47/1024275347.db2.gz IMNAOGAXOFIWTE-UONOGXRCSA-N 2 0 310.482 3.930 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714619 1024279584 /nfs/dbraw/zinc/27/95/84/1024279584.db2.gz BQEDPQUAOIQMLM-SJORKVTESA-N 2 0 309.457 3.741 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccncn1 ZINC000453064594 1024294819 /nfs/dbraw/zinc/29/48/19/1024294819.db2.gz TYFXADRJIPQOLP-SJORKVTESA-N 2 0 324.472 3.702 20 0 DHADRP c1cc(C[NH+]2CCC(C[NH2+][C@H]3CCCC4(CC4)C3)CC2)ccn1 ZINC000883234877 1024308580 /nfs/dbraw/zinc/30/85/80/1024308580.db2.gz ODXUQBYHBXNWDO-IBGZPJMESA-N 2 0 313.489 3.606 20 0 DHADRP C[C@@H](c1cccnc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000269843338 1024319217 /nfs/dbraw/zinc/31/92/17/1024319217.db2.gz VZCNOCXDBYQEEB-KRWDZBQOSA-N 2 0 301.478 3.731 20 0 DHADRP CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC(F)(F)C1 ZINC000883250649 1024320220 /nfs/dbraw/zinc/32/02/20/1024320220.db2.gz HWCIGYIERLDSJQ-UHFFFAOYSA-N 2 0 300.437 3.809 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000453106315 1024334134 /nfs/dbraw/zinc/33/41/34/1024334134.db2.gz IQCPGDJMIIJTNZ-PZJWPPBQSA-N 2 0 323.484 3.687 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC000453129196 1024357250 /nfs/dbraw/zinc/35/72/50/1024357250.db2.gz XNHDBRGORZGLOJ-PXNSSMCTSA-N 2 0 315.505 3.647 20 0 DHADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000790749427 1024370157 /nfs/dbraw/zinc/37/01/57/1024370157.db2.gz DHCNMOGZXTVAKO-SFHVURJKSA-N 2 0 316.489 3.784 20 0 DHADRP CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)(C)C ZINC000453195676 1024395949 /nfs/dbraw/zinc/39/59/49/1024395949.db2.gz JVNSTMFRVAFRBJ-RBUKOAKNSA-N 2 0 318.505 3.558 20 0 DHADRP Clc1csc(C[NH2+]CCCCCCC[NH+]2CCCC2)n1 ZINC000877019845 1033208514 /nfs/dbraw/zinc/20/85/14/1033208514.db2.gz FPIPVQZWYXPKIT-UHFFFAOYSA-N 2 0 315.914 3.932 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000663466230 1024401430 /nfs/dbraw/zinc/40/14/30/1024401430.db2.gz PSASQULZODCZOI-HOCLYGCPSA-N 2 0 314.464 3.912 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000663466228 1024402706 /nfs/dbraw/zinc/40/27/06/1024402706.db2.gz PSASQULZODCZOI-GDBMZVCRSA-N 2 0 314.464 3.912 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000453209150 1024403479 /nfs/dbraw/zinc/40/34/79/1024403479.db2.gz CYKNXWRHWXWLRB-UYAOXDASSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466459 1024404825 /nfs/dbraw/zinc/40/48/25/1024404825.db2.gz TZAAELXVVNEVMR-YLJYHZDGSA-N 2 0 315.505 3.504 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H](C)c1ccccc1 ZINC000663467973 1024404918 /nfs/dbraw/zinc/40/49/18/1024404918.db2.gz JCJVDOYKZJKWQB-ZIFCJYIRSA-N 2 0 300.490 3.890 20 0 DHADRP FC1(F)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453210862 1024405680 /nfs/dbraw/zinc/40/56/80/1024405680.db2.gz MOYUUWDOFYNLDM-KURKYZTESA-N 2 0 320.427 3.817 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000663468594 1024414895 /nfs/dbraw/zinc/41/48/95/1024414895.db2.gz MKFNLFJBQHHDRA-FXAWDEMLSA-N 2 0 316.489 3.858 20 0 DHADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453235197 1024419124 /nfs/dbraw/zinc/41/91/24/1024419124.db2.gz TYMBVWNZRCVADP-MDMSPXHWSA-N 2 0 320.427 3.673 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)c(C)c1 ZINC000453240506 1024421372 /nfs/dbraw/zinc/42/13/72/1024421372.db2.gz CLPKALLOLJLIAH-YQVWRLOYSA-N 2 0 300.490 3.653 20 0 DHADRP CCC[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)OC ZINC000453244210 1024422645 /nfs/dbraw/zinc/42/26/45/1024422645.db2.gz GXWWBOOPJFWHDC-SOAGJPPSSA-N 2 0 318.505 3.834 20 0 DHADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000883424443 1024434004 /nfs/dbraw/zinc/43/40/04/1024434004.db2.gz SIZQOKNNQPGLNP-VQTJNVASSA-N 2 0 316.489 3.618 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172454725 1033210861 /nfs/dbraw/zinc/21/08/61/1033210861.db2.gz BSFGFTFABJRTPI-MJGOQNOKSA-N 2 0 306.494 3.720 20 0 DHADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883428601 1024434287 /nfs/dbraw/zinc/43/42/87/1024434287.db2.gz YBNIFEPQZIWAPY-IPMKNSEASA-N 2 0 302.462 3.500 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCCCC1 ZINC000925778393 1024436845 /nfs/dbraw/zinc/43/68/45/1024436845.db2.gz VMOLEYJARSDYPP-ZDUSSCGKSA-N 2 0 307.507 3.565 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000453275669 1024449133 /nfs/dbraw/zinc/44/91/33/1024449133.db2.gz YXSCCMOONFHOMB-CJGGRQNCSA-N 2 0 300.490 3.889 20 0 DHADRP c1cc2cccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2[nH]1 ZINC000271247991 1024477637 /nfs/dbraw/zinc/47/76/37/1024477637.db2.gz CYNVMFBFOUDHPJ-VQIMIIECSA-N 2 0 309.457 3.617 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001167825155 1024488127 /nfs/dbraw/zinc/48/81/27/1024488127.db2.gz GHLOVKPGYQPZNB-MJGOQNOKSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCCO2 ZINC000453366864 1024490498 /nfs/dbraw/zinc/49/04/98/1024490498.db2.gz TURVPFIAGDRNFC-PHSGOXPASA-N 2 0 314.473 3.732 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402778 1024500027 /nfs/dbraw/zinc/50/00/27/1024500027.db2.gz NVVOEIMXUDBVOM-SFHVURJKSA-N 2 0 302.462 3.673 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC001167827219 1024508778 /nfs/dbraw/zinc/50/87/78/1024508778.db2.gz UVTUBDZIXWNDAM-HKUYNNGSSA-N 2 0 304.478 3.570 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000453436884 1024514986 /nfs/dbraw/zinc/51/49/86/1024514986.db2.gz VAAGHCWTRCMLPH-FXAWDEMLSA-N 2 0 315.505 3.565 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)CC[N@@H+]1C ZINC000271506059 1024526945 /nfs/dbraw/zinc/52/69/45/1024526945.db2.gz RRIWBQROYUYIBU-DOTOQJQBSA-N 2 0 302.462 3.580 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cscc1C(F)(F)F)C1CC1 ZINC000453597329 1024539056 /nfs/dbraw/zinc/53/90/56/1024539056.db2.gz NEQSUEBBGBAWIH-UHFFFAOYSA-N 2 0 306.397 3.731 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000532204916 1024575146 /nfs/dbraw/zinc/57/51/46/1024575146.db2.gz LLVLJUUFFNNIMN-CZUORRHYSA-N 2 0 314.395 3.710 20 0 DHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000316161719 1024577311 /nfs/dbraw/zinc/57/73/11/1024577311.db2.gz IHIKBDNTHDPYFQ-CYBMUJFWSA-N 2 0 319.836 3.556 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)CCO1 ZINC000648428406 1024604297 /nfs/dbraw/zinc/60/42/97/1024604297.db2.gz MWSNUMOAKWIBEB-MOPGFXCFSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000221996719 1024613143 /nfs/dbraw/zinc/61/31/43/1024613143.db2.gz PBQSGMBHEGKEQS-BDAKNGLRSA-N 2 0 304.246 3.991 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCCC1 ZINC000390895876 1024617415 /nfs/dbraw/zinc/61/74/15/1024617415.db2.gz PLFGIAIYWMBDCU-BEFAXECRSA-N 2 0 311.473 3.867 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001167836164 1024619695 /nfs/dbraw/zinc/61/96/95/1024619695.db2.gz WQDVYXNBOOJURI-PKOBYXMFSA-N 2 0 310.526 3.778 20 0 DHADRP CCC[N@H+](CCc1ccccn1)[C@@H](C)CCC[NH+](CC)CC ZINC001167838009 1024626295 /nfs/dbraw/zinc/62/62/95/1024626295.db2.gz OUCHGGFCABZDDT-SFHVURJKSA-N 2 0 305.510 3.847 20 0 DHADRP Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000390914207 1024661781 /nfs/dbraw/zinc/66/17/81/1024661781.db2.gz ZXQMOYPRINYABQ-HXUWFJFHSA-N 2 0 323.484 3.780 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)C2)CC1 ZINC000349142883 1024680797 /nfs/dbraw/zinc/68/07/97/1024680797.db2.gz AIZNUDOHPMRQMW-HNNXBMFYSA-N 2 0 316.420 3.736 20 0 DHADRP CC[C@H]1C[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170191526 1024686676 /nfs/dbraw/zinc/68/66/76/1024686676.db2.gz IHGORXOYSJTNKB-WNHJNPCNSA-N 2 0 308.510 3.849 20 0 DHADRP CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197540 1024698094 /nfs/dbraw/zinc/69/80/94/1024698094.db2.gz XMCINVRFWYOLTD-UAFMIMERSA-N 2 0 316.489 3.716 20 0 DHADRP CC[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001170198521 1024698205 /nfs/dbraw/zinc/69/82/05/1024698205.db2.gz XOBITIMZVHDEJW-DLBZAZTESA-N 2 0 322.880 3.547 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1[nH+]ccc2[nH]ccc21 ZINC000663651348 1024705216 /nfs/dbraw/zinc/70/52/16/1024705216.db2.gz CPGMMCKOMKAGGD-INIZCTEOSA-N 2 0 320.440 3.664 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001170266203 1024718514 /nfs/dbraw/zinc/71/85/14/1024718514.db2.gz MZIQHBHSHIQLBW-UQPPLGOBSA-N 2 0 308.897 3.981 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001168163620 1024733806 /nfs/dbraw/zinc/73/38/06/1024733806.db2.gz ARLXEZBXQJHEGO-AWEZNQCLSA-N 2 0 306.881 3.864 20 0 DHADRP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001170288324 1024736729 /nfs/dbraw/zinc/73/67/29/1024736729.db2.gz NCKGSVBVOFEKMR-HNNXBMFYSA-N 2 0 306.881 3.689 20 0 DHADRP Cc1c(N)cc[nH+]c1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170330023 1024746402 /nfs/dbraw/zinc/74/64/02/1024746402.db2.gz FHOUGRJYAPNADA-NNZMDNLPSA-N 2 0 322.456 3.580 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nccs1 ZINC000349829235 1024758674 /nfs/dbraw/zinc/75/86/74/1024758674.db2.gz HFIHOZVPIJBFNS-AWEZNQCLSA-N 2 0 307.507 3.633 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001168169154 1024761934 /nfs/dbraw/zinc/76/19/34/1024761934.db2.gz VUSPLPKLOFZUKM-CYBMUJFWSA-N 2 0 313.832 3.995 20 0 DHADRP CC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000319824225 1024803731 /nfs/dbraw/zinc/80/37/31/1024803731.db2.gz KGAUFCLHMMYISE-QGZVFWFLSA-N 2 0 316.489 3.971 20 0 DHADRP c1ccc([C@H]2C[C@H]([NH2+]CCc3ccncc3)CCN2C2CC2)cc1 ZINC000877089030 1033236236 /nfs/dbraw/zinc/23/62/36/1033236236.db2.gz FGFANJBRHWSWBC-TZIWHRDSSA-N 2 0 321.468 3.582 20 0 DHADRP CC[C@@H]1CN([C@@H](C)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000122272217 1024914604 /nfs/dbraw/zinc/91/46/04/1024914604.db2.gz NHDVQALUHDXQHZ-ZOWXZIJZSA-N 2 0 311.267 3.569 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000162874266 1024917154 /nfs/dbraw/zinc/91/71/54/1024917154.db2.gz YVTLTIOYPQUOKT-MBOZVWFJSA-N 2 0 316.489 3.543 20 0 DHADRP CCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000353135631 1024960387 /nfs/dbraw/zinc/96/03/87/1024960387.db2.gz JKEBNGWEMNHIDN-NZSAHSFTSA-N 2 0 301.478 3.572 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000648482660 1025003547 /nfs/dbraw/zinc/00/35/47/1025003547.db2.gz FHLCAQWPKLWQCQ-MAUKXSAKSA-N 2 0 322.443 3.859 20 0 DHADRP CC(C)CCOc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000320163561 1025008858 /nfs/dbraw/zinc/00/88/58/1025008858.db2.gz YAOUAVHZBMGGQQ-UXHICEINSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CCC1 ZINC000648490241 1025023065 /nfs/dbraw/zinc/02/30/65/1025023065.db2.gz OGODUEUBIQKCHJ-DLBZAZTESA-N 2 0 300.490 3.860 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cn1 ZINC000353358742 1025040469 /nfs/dbraw/zinc/04/04/69/1025040469.db2.gz ZXCJSVFBLLGJQO-LJQANCHMSA-N 2 0 315.436 3.769 20 0 DHADRP CCCC[C@H](COC)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000539039851 1033251454 /nfs/dbraw/zinc/25/14/54/1033251454.db2.gz FWQLGBKIGJYOEA-JLAWEPINSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CS1 ZINC000666417845 1025045365 /nfs/dbraw/zinc/04/53/65/1025045365.db2.gz VYZKORALGMREAA-YJBOKZPZSA-N 2 0 304.503 3.656 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000353386720 1025052659 /nfs/dbraw/zinc/05/26/59/1025052659.db2.gz MVNYXEFWBOQQNP-QQFBHYJXSA-N 2 0 320.477 3.536 20 0 DHADRP c1csc(C[N@H+]2CCC3(C2)CC[NH+](CC2CCC2)CC3)c1 ZINC001202722005 1025055598 /nfs/dbraw/zinc/05/55/98/1025055598.db2.gz MBUJYJXFWTXPLZ-UHFFFAOYSA-N 2 0 304.503 3.836 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)c1OC ZINC000353457505 1025075562 /nfs/dbraw/zinc/07/55/62/1025075562.db2.gz ZLTVZUJLDCCUML-INIZCTEOSA-N 2 0 320.477 3.539 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000121411550 1025089892 /nfs/dbraw/zinc/08/98/92/1025089892.db2.gz LXGBGRLTIRQAKB-WBMJQRKESA-N 2 0 319.449 3.793 20 0 DHADRP CSC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC[NH+](C)CC1 ZINC000353626050 1025161473 /nfs/dbraw/zinc/16/14/73/1025161473.db2.gz TXFFWOTXTFINMH-KRWDZBQOSA-N 2 0 322.493 3.620 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000353633824 1025165673 /nfs/dbraw/zinc/16/56/73/1025165673.db2.gz UHOATLFCLXAWPX-ACAXCVFMSA-N 2 0 316.489 3.617 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@H](C)C1 ZINC000539068945 1033264654 /nfs/dbraw/zinc/26/46/54/1033264654.db2.gz JSKFPISROGADAB-CRAIPNDOSA-N 2 0 324.896 3.819 20 0 DHADRP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400964541 1025204094 /nfs/dbraw/zinc/20/40/94/1025204094.db2.gz KADMXVMDYSADAR-YLFCFFPRSA-N 2 0 302.462 3.513 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000040622755 1025242425 /nfs/dbraw/zinc/24/24/25/1025242425.db2.gz JTYYTJMBLJTCTC-NXVRBGIVSA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001168200587 1025253666 /nfs/dbraw/zinc/25/36/66/1025253666.db2.gz GYFYORJDMQRTIP-UHFFFAOYSA-N 2 0 308.897 3.936 20 0 DHADRP CSc1cccc(F)c1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353854273 1025268020 /nfs/dbraw/zinc/26/80/20/1025268020.db2.gz ITGLCIXYVVAVRL-MAZHCROVSA-N 2 0 308.466 3.510 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(C[NH+](C)C)c1 ZINC000925273520 1025327083 /nfs/dbraw/zinc/32/70/83/1025327083.db2.gz WDDKUSJGZXIQAW-CQSZACIVSA-N 2 0 317.864 3.690 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000234248175 1025336533 /nfs/dbraw/zinc/33/65/33/1025336533.db2.gz LXPKXMYTUKSMFO-UHFFFAOYSA-N 2 0 319.674 3.534 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207261 1025381130 /nfs/dbraw/zinc/38/11/30/1025381130.db2.gz LPGOLHAEUDQLDV-NVXWUHKLSA-N 2 0 313.445 3.646 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC1(Cl)Cl ZINC000859995596 1033281040 /nfs/dbraw/zinc/28/10/40/1033281040.db2.gz KUBSBUPBKNNSCM-HNNXBMFYSA-N 2 0 315.288 3.764 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2cccc(Br)c21 ZINC000925876416 1025407124 /nfs/dbraw/zinc/40/71/24/1025407124.db2.gz XNGWQPBUDWDNDM-FJJYHAOUSA-N 2 0 323.278 3.714 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCCc2ccc(C)nc2)c1 ZINC000354332764 1025407162 /nfs/dbraw/zinc/40/71/62/1025407162.db2.gz VTUKNOCFSOUUIA-UHFFFAOYSA-N 2 0 311.473 3.564 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2cccc(Br)c21 ZINC000925876417 1025408721 /nfs/dbraw/zinc/40/87/21/1025408721.db2.gz XNGWQPBUDWDNDM-MCYUEQNJSA-N 2 0 323.278 3.714 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000885954382 1025416957 /nfs/dbraw/zinc/41/69/57/1025416957.db2.gz WPUVLBUSAPKYTP-AZUAARDMSA-N 2 0 322.537 3.968 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)sc1Br ZINC000925879294 1025421587 /nfs/dbraw/zinc/42/15/87/1025421587.db2.gz ASYYDHCFKFLNOA-MXWKQRLJSA-N 2 0 317.296 3.597 20 0 DHADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000877314980 1033281593 /nfs/dbraw/zinc/28/15/93/1033281593.db2.gz GYEFPGZIPKBHSQ-QYWGDWMGSA-N 2 0 318.442 3.564 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885968967 1025423678 /nfs/dbraw/zinc/42/36/78/1025423678.db2.gz GEEUILHOLGWEPO-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](OC)CC2)c1 ZINC000885969636 1025424762 /nfs/dbraw/zinc/42/47/62/1025424762.db2.gz YMZHXPSYCUHWEO-RTBURBONSA-N 2 0 304.478 3.576 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000886008573 1025436525 /nfs/dbraw/zinc/43/65/25/1025436525.db2.gz PWVHVGOZRFPRCM-VQIMIIECSA-N 2 0 308.510 3.721 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000886012447 1025439172 /nfs/dbraw/zinc/43/91/72/1025439172.db2.gz ICHQTEMEAPDXBI-LWSMDNFKSA-N 2 0 308.510 3.721 20 0 DHADRP Cc1ccncc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000354574826 1025459752 /nfs/dbraw/zinc/45/97/52/1025459752.db2.gz OYYVPYRTYMYVGN-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+]CCCn2ccnc2)cc1 ZINC000144765855 1025467064 /nfs/dbraw/zinc/46/70/64/1025467064.db2.gz FAEMZOKQVAUDDS-INIZCTEOSA-N 2 0 301.434 3.803 20 0 DHADRP C[C@H](CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)OCc1ccccc1 ZINC000354699184 1025481200 /nfs/dbraw/zinc/48/12/00/1025481200.db2.gz FMZLXCZMDKKVPM-SJLPKXTDSA-N 2 0 313.445 3.585 20 0 DHADRP C[NH+](C)CCOc1cccc(Nc2ccc3cnccc3c2)c1 ZINC001212807036 1025489458 /nfs/dbraw/zinc/48/94/58/1025489458.db2.gz HHHDIIYDKPHKNC-UHFFFAOYSA-N 2 0 307.397 3.919 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924685116 1033285732 /nfs/dbraw/zinc/28/57/32/1033285732.db2.gz NPSDZSYQDIIISD-DUQJVZAFSA-N 2 0 310.551 3.761 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924685120 1033286581 /nfs/dbraw/zinc/28/65/81/1033286581.db2.gz NPSDZSYQDIIISD-NUIAMIPMSA-N 2 0 310.551 3.761 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000125921723 1025498044 /nfs/dbraw/zinc/49/80/44/1025498044.db2.gz NVCBHOGCSAUNLR-LSDHHAIUSA-N 2 0 307.507 3.539 20 0 DHADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[PH+](C(C)C)C(C)C)C1 ZINC001172610937 1033288333 /nfs/dbraw/zinc/28/83/33/1033288333.db2.gz WQGKPVAAPQPASK-CABCVRRESA-N 2 0 301.411 3.607 20 0 DHADRP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H](C)OCc2ccccc2)CC1 ZINC000354857596 1025528042 /nfs/dbraw/zinc/52/80/42/1025528042.db2.gz ASEJBFGKGRAWCV-SFHVURJKSA-N 2 0 318.505 3.786 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000539164303 1033291654 /nfs/dbraw/zinc/29/16/54/1033291654.db2.gz OXFFMQZHERBFDK-QGZVFWFLSA-N 2 0 312.885 3.595 20 0 DHADRP Fc1cccc(F)c1-c1ccc(CNCCC[NH+]2CCCC2)o1 ZINC000237791281 1025579575 /nfs/dbraw/zinc/57/95/75/1025579575.db2.gz AWAIBEWHMMRUEI-UHFFFAOYSA-N 2 0 320.383 3.800 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)CCC2 ZINC000355035903 1025588408 /nfs/dbraw/zinc/58/84/08/1025588408.db2.gz IYQVBRPYXDJSCO-CQSZACIVSA-N 2 0 321.534 3.795 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000886506182 1025660016 /nfs/dbraw/zinc/66/00/16/1025660016.db2.gz FTZMKTCZNHCRRE-LJQANCHMSA-N 2 0 309.457 3.701 20 0 DHADRP CO[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000886508748 1025662343 /nfs/dbraw/zinc/66/23/43/1025662343.db2.gz MDOAOBDQDGTXSQ-GPJFCIFZSA-N 2 0 316.489 3.761 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886517436 1025671208 /nfs/dbraw/zinc/67/12/08/1025671208.db2.gz CXNPIQPPRQFYRD-KRWDZBQOSA-N 2 0 303.425 3.616 20 0 DHADRP COCc1ccc([C@H]2CCC[N@@H+]2CCCCn2ccnc2C)o1 ZINC000131060541 1025681319 /nfs/dbraw/zinc/68/13/19/1025681319.db2.gz DZNKLIZRUUEQLK-QGZVFWFLSA-N 2 0 317.433 3.548 20 0 DHADRP COC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccc(C)o1 ZINC000886534610 1025683704 /nfs/dbraw/zinc/68/37/04/1025683704.db2.gz LGPKIIUVERKRNG-HFCFLWKCSA-N 2 0 320.477 3.662 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000886551225 1025701293 /nfs/dbraw/zinc/70/12/93/1025701293.db2.gz DWZGTRDQDBRHBH-JLAWEPINSA-N 2 0 320.521 3.865 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000886558710 1025708407 /nfs/dbraw/zinc/70/84/07/1025708407.db2.gz QIIYQCSJIXNOEL-UHFFFAOYSA-N 2 0 300.437 3.951 20 0 DHADRP COC1CCC(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886588515 1025727710 /nfs/dbraw/zinc/72/77/10/1025727710.db2.gz TUWQYXMVQRFGNQ-UHFFFAOYSA-N 2 0 322.537 3.968 20 0 DHADRP CCOC1CC(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886599331 1025729154 /nfs/dbraw/zinc/72/91/54/1025729154.db2.gz WMXOXPQOMXRSRW-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1c(F)cncc1F ZINC000886608857 1025733367 /nfs/dbraw/zinc/73/33/67/1025733367.db2.gz GZHWCAIZMKKHJJ-VNSJNIRKSA-N 2 0 323.431 3.808 20 0 DHADRP CC(C)[C@@H]1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886619252 1025744367 /nfs/dbraw/zinc/74/43/67/1025744367.db2.gz XQQKMXHWKBMPRF-SOAISFHBSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)(C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cccnc1 ZINC000886627066 1025748328 /nfs/dbraw/zinc/74/83/28/1025748328.db2.gz RWAMABRBZMCPJD-UHFFFAOYSA-N 2 0 315.505 3.746 20 0 DHADRP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccn1 ZINC000886634353 1025751783 /nfs/dbraw/zinc/75/17/83/1025751783.db2.gz BRIFCKIJZSRNOV-LRYGQEGESA-N 2 0 301.478 3.572 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000136601589 1025872053 /nfs/dbraw/zinc/87/20/53/1025872053.db2.gz UITKDPRQSRCCQM-LNLFQRSKSA-N 2 0 309.457 3.643 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000136601556 1025873068 /nfs/dbraw/zinc/87/30/68/1025873068.db2.gz UITKDPRQSRCCQM-AOIWGVFYSA-N 2 0 309.457 3.643 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1cccc2cc[nH]c21)Cc1ccccc1 ZINC000237084342 1026003121 /nfs/dbraw/zinc/00/31/21/1026003121.db2.gz WILONHPYFXAXPA-UHFFFAOYSA-N 2 0 307.441 3.780 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000089215031 1026038990 /nfs/dbraw/zinc/03/89/90/1026038990.db2.gz HPSDCWPEISJPQI-HNNXBMFYSA-N 2 0 313.445 3.804 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC001308432677 1026055167 /nfs/dbraw/zinc/05/51/67/1026055167.db2.gz LIAFPLDJBREQAN-LBPRGKRZSA-N 2 0 301.261 3.815 20 0 DHADRP COc1ccccc1C[N@H+]([C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167918327 1026076481 /nfs/dbraw/zinc/07/64/81/1026076481.db2.gz SQPNCSJHVFKLLO-AKAMXIMMSA-N 2 0 314.473 3.566 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167919306 1026093994 /nfs/dbraw/zinc/09/39/94/1026093994.db2.gz XYWNPCAQQHZAAN-MBBYRJAFSA-N 2 0 302.437 3.696 20 0 DHADRP C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC000245659128 1026116897 /nfs/dbraw/zinc/11/68/97/1026116897.db2.gz FFKMSHBGOZOKCJ-RZXSNQJFSA-N 2 0 321.468 3.928 20 0 DHADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000093770242 1026127034 /nfs/dbraw/zinc/12/70/34/1026127034.db2.gz FIYMHPJKCNVKMO-GOSISDBHSA-N 2 0 309.457 3.522 20 0 DHADRP CS[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245745614 1026193395 /nfs/dbraw/zinc/19/33/95/1026193395.db2.gz SLILWPAHBWRURR-LEUOFYLZSA-N 2 0 304.503 3.523 20 0 DHADRP CCc1cccnc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000356872748 1026204479 /nfs/dbraw/zinc/20/44/79/1026204479.db2.gz OZFXJUMHHBJRNZ-INIZCTEOSA-N 2 0 324.472 3.606 20 0 DHADRP CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793804 1026283383 /nfs/dbraw/zinc/28/33/83/1026283383.db2.gz ISCSXWDZOVHGOH-YLFCFFPRSA-N 2 0 304.503 3.535 20 0 DHADRP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647796715 1026319448 /nfs/dbraw/zinc/31/94/48/1026319448.db2.gz KZAVLJQJJODAPZ-DTJSUFBGSA-N 2 0 304.865 3.564 20 0 DHADRP Oc1cccc2sc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc21 ZINC000894195254 1026338108 /nfs/dbraw/zinc/33/81/08/1026338108.db2.gz XBXDWAXASILNLL-UHFFFAOYSA-N 2 0 316.470 3.571 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727777 1026376757 /nfs/dbraw/zinc/37/67/57/1026376757.db2.gz ORJUGDXJLIZTOV-UHFFFAOYSA-N 2 0 300.490 3.818 20 0 DHADRP Cc1ccsc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513464344 1026514069 /nfs/dbraw/zinc/51/40/69/1026514069.db2.gz XCVSOYMHOMHMGN-UHFFFAOYSA-N 2 0 306.519 3.986 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000513488285 1026525851 /nfs/dbraw/zinc/52/58/51/1026525851.db2.gz SDWVZFUIDXFDKA-CXAGYDPISA-N 2 0 308.416 3.806 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000513545987 1026537327 /nfs/dbraw/zinc/53/73/27/1026537327.db2.gz URKYNWBSBBTMEY-XLIONFOSSA-N 2 0 324.468 3.783 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000513656537 1026550479 /nfs/dbraw/zinc/55/04/79/1026550479.db2.gz UVXAFUJZCYACAO-QHAWAJNXSA-N 2 0 324.468 3.681 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000513683121 1026559756 /nfs/dbraw/zinc/55/97/56/1026559756.db2.gz GSRNZYZGCJVZMW-PCCBWWKXSA-N 2 0 308.469 3.845 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000809659862 1026583012 /nfs/dbraw/zinc/58/30/12/1026583012.db2.gz GVHBFVMLMQOMTC-RQOWECAXSA-N 2 0 320.427 3.786 20 0 DHADRP C[C@@H]1C[C@]1([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000419722044 1026761278 /nfs/dbraw/zinc/76/12/78/1026761278.db2.gz DBOZAPWYJXXTJJ-BNEJOLLZSA-N 2 0 304.865 3.792 20 0 DHADRP CCc1oc2ccccc2c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000513712227 1026767580 /nfs/dbraw/zinc/76/75/80/1026767580.db2.gz AXJINHWTABDVJI-UHFFFAOYSA-N 2 0 300.446 3.769 20 0 DHADRP Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420256970 1026793623 /nfs/dbraw/zinc/79/36/23/1026793623.db2.gz HZFNGRFYHOOQGU-CZUORRHYSA-N 2 0 315.848 3.693 20 0 DHADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1C(F)(F)F ZINC000420295966 1026794198 /nfs/dbraw/zinc/79/41/98/1026794198.db2.gz BGGRGICBOBEPJK-ZDUSSCGKSA-N 2 0 300.368 3.527 20 0 DHADRP COc1ccccc1-c1ccc(CN(C[C@H](C)[NH3+])C(C)C)cc1 ZINC000420296790 1026795010 /nfs/dbraw/zinc/79/50/10/1026795010.db2.gz DWWZFMYJXVYEFC-INIZCTEOSA-N 2 0 312.457 3.920 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000420302872 1026799175 /nfs/dbraw/zinc/79/91/75/1026799175.db2.gz JUSUVJFKQYTRBW-FPOVZHCZSA-N 2 0 324.468 3.883 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000420321325 1026803573 /nfs/dbraw/zinc/80/35/73/1026803573.db2.gz RGUQWRBBGHGSJM-PBHICJAKSA-N 2 0 316.420 3.570 20 0 DHADRP FC(F)(F)c1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420318296 1026804812 /nfs/dbraw/zinc/80/48/12/1026804812.db2.gz OJRIDRPDNJSKQE-ZDUSSCGKSA-N 2 0 312.379 3.669 20 0 DHADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420332093 1026806616 /nfs/dbraw/zinc/80/66/16/1026806616.db2.gz RHEVGQYYCHBAMF-UZLBHIALSA-N 2 0 324.468 3.588 20 0 DHADRP CC(C)Oc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000420325904 1026806939 /nfs/dbraw/zinc/80/69/39/1026806939.db2.gz CAJVOVZGXJRIES-UHFFFAOYSA-N 2 0 322.880 3.703 20 0 DHADRP C[C@H](c1ccccc1Cl)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420382068 1026811574 /nfs/dbraw/zinc/81/15/74/1026811574.db2.gz DILDKIQFNXDEED-SIIHOXLZSA-N 2 0 322.880 3.619 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(N)c2)CC1)CC1CC1 ZINC000420375005 1026813876 /nfs/dbraw/zinc/81/38/76/1026813876.db2.gz OOPDOTFWHBTCJV-UHFFFAOYSA-N 2 0 315.505 3.603 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420413951 1026814086 /nfs/dbraw/zinc/81/40/86/1026814086.db2.gz UCZXTRKWGGXHRE-ZFWWWQNUSA-N 2 0 300.368 3.541 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420411619 1026815989 /nfs/dbraw/zinc/81/59/89/1026815989.db2.gz RXYPXNOYDUKFBG-ZWKOTPCHSA-N 2 0 314.498 3.930 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420411610 1026816537 /nfs/dbraw/zinc/81/65/37/1026816537.db2.gz RXYPXNOYDUKFBG-MSOLQXFVSA-N 2 0 314.498 3.930 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421823967 1027056485 /nfs/dbraw/zinc/05/64/85/1027056485.db2.gz GEZLQRBYQWIEKL-KBPBESRZSA-N 2 0 312.860 3.732 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(F)c1 ZINC000421820248 1027066092 /nfs/dbraw/zinc/06/60/92/1027066092.db2.gz LNKKPDLSYLWSQS-LIRRHRJNSA-N 2 0 320.452 3.605 20 0 DHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000421865329 1027071771 /nfs/dbraw/zinc/07/17/71/1027071771.db2.gz ZMLSRGOOWIAJRO-KBPBESRZSA-N 2 0 310.869 3.731 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000561956509 1027142472 /nfs/dbraw/zinc/14/24/72/1027142472.db2.gz HRGURFJVPFUQJU-RBUKOAKNSA-N 2 0 323.569 3.549 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000562017129 1027180974 /nfs/dbraw/zinc/18/09/74/1027180974.db2.gz VGMHUAGSYZFNNX-PPLKHSGQSA-N 2 0 300.490 3.921 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000562019787 1027184223 /nfs/dbraw/zinc/18/42/23/1027184223.db2.gz PUMYXAPJQWFQOT-PMACEKPBSA-N 2 0 316.489 3.685 20 0 DHADRP CCC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000572340620 1027194420 /nfs/dbraw/zinc/19/44/20/1027194420.db2.gz SQCFNHQJABNGQO-QFBILLFUSA-N 2 0 301.478 3.999 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170664968 1027196347 /nfs/dbraw/zinc/19/63/47/1027196347.db2.gz KQKIYQOMLGKXMP-OAHLLOKOSA-N 2 0 322.443 3.802 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000572511878 1027206397 /nfs/dbraw/zinc/20/63/97/1027206397.db2.gz XGGBIEHPAFVDLS-FQEVSTJZSA-N 2 0 318.505 3.558 20 0 DHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(-c3ccsc3)s2)C[C@@H]1C[NH3+] ZINC000422561109 1027286698 /nfs/dbraw/zinc/28/66/98/1027286698.db2.gz JBHMJSPUBHCZKQ-BZPMIXESSA-N 2 0 321.515 3.677 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422710076 1027295867 /nfs/dbraw/zinc/29/58/67/1027295867.db2.gz KVWFVYGUUIGCOK-RCCFBDPRSA-N 2 0 304.453 3.614 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000924956718 1027296720 /nfs/dbraw/zinc/29/67/20/1027296720.db2.gz YDBDVVLWAMLVJP-IBGZPJMESA-N 2 0 301.478 3.634 20 0 DHADRP C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC[NH+]1CCCCC1 ZINC000422711289 1027298855 /nfs/dbraw/zinc/29/88/55/1027298855.db2.gz GWDXWIGKWZVWLZ-HSALFYBXSA-N 3 0 321.553 3.543 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c21 ZINC000422711809 1027298871 /nfs/dbraw/zinc/29/88/71/1027298871.db2.gz HKNFNXTXVDWYOZ-KURKYZTESA-N 2 0 311.473 3.529 20 0 DHADRP Cc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C1CC1 ZINC000422712381 1027300562 /nfs/dbraw/zinc/30/05/62/1027300562.db2.gz NXVJDAKOIATQAE-MGPUTAFESA-N 2 0 309.457 3.959 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC000422713200 1027302730 /nfs/dbraw/zinc/30/27/30/1027302730.db2.gz PMDGCJQYLNBYOQ-CRAIPNDOSA-N 2 0 318.461 3.782 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724528 1027307715 /nfs/dbraw/zinc/30/77/15/1027307715.db2.gz VXLYSHBUMXCVBS-HOTGVXAUSA-N 2 0 314.395 3.888 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000422749010 1027310163 /nfs/dbraw/zinc/31/01/63/1027310163.db2.gz WZYMYBVNAWMPPK-NWDGAFQWSA-N 2 0 303.837 3.914 20 0 DHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000422773693 1027313171 /nfs/dbraw/zinc/31/31/71/1027313171.db2.gz UPZZBFZRIRJGQU-CEXWTWQISA-N 2 0 316.464 3.758 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2F)c2ccccc21 ZINC000422773660 1027314215 /nfs/dbraw/zinc/31/42/15/1027314215.db2.gz UMCMNMSWFRYCMB-QZTJIDSGSA-N 2 0 316.445 3.793 20 0 DHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422769298 1027315937 /nfs/dbraw/zinc/31/59/37/1027315937.db2.gz ONZMYCHUWNSXIX-FGTMMUONSA-N 2 0 318.892 3.882 20 0 DHADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000573653381 1027316164 /nfs/dbraw/zinc/31/61/64/1027316164.db2.gz LMZVPBUJFHXTDC-QGZVFWFLSA-N 2 0 323.569 3.597 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779378 1027317795 /nfs/dbraw/zinc/31/77/95/1027317795.db2.gz IKPKDDNRGXQPCK-IPMKNSEASA-N 2 0 311.473 3.529 20 0 DHADRP CCC(CC)(CN[C@@H]1CCC[C@@H]1C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422773772 1027318572 /nfs/dbraw/zinc/31/85/72/1027318572.db2.gz ZECWQZOSKPRMJV-QXAKKESOSA-N 2 0 317.521 3.613 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422783510 1027319860 /nfs/dbraw/zinc/31/98/60/1027319860.db2.gz MYLGJMQTEFCRFT-QKYXUNIQSA-N 2 0 314.473 3.801 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422784437 1027324202 /nfs/dbraw/zinc/32/42/02/1027324202.db2.gz MBHNBAVWUOTMHN-IRXDYDNUSA-N 2 0 315.486 3.602 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422805584 1027327841 /nfs/dbraw/zinc/32/78/41/1027327841.db2.gz MDTXLPWVZYNPHA-SGMGOOAPSA-N 2 0 300.368 3.744 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000422807933 1027330778 /nfs/dbraw/zinc/33/07/78/1027330778.db2.gz KLVNCFNUSCTAOV-UHFFFAOYSA-N 2 0 318.795 3.549 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCOc2ccc(F)cc2)c2ccccc21 ZINC000422829758 1027334326 /nfs/dbraw/zinc/33/43/26/1027334326.db2.gz HXJVHLOAZWAYPX-OALUTQOASA-N 2 0 314.404 3.719 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000422827827 1027336025 /nfs/dbraw/zinc/33/60/25/1027336025.db2.gz NOIDJHDLRBFFIN-IFXJQAMLSA-N 2 0 318.411 3.966 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCOc2ccc(F)cc2)c2ccccc21 ZINC000422829759 1027336203 /nfs/dbraw/zinc/33/62/03/1027336203.db2.gz HXJVHLOAZWAYPX-RBUKOAKNSA-N 2 0 314.404 3.719 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422820396 1027336397 /nfs/dbraw/zinc/33/63/97/1027336397.db2.gz QJEPSIKNIDBCHJ-OBVSXPTNSA-N 2 0 310.551 3.951 20 0 DHADRP CCO[C@H](CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000422816614 1027337318 /nfs/dbraw/zinc/33/73/18/1027337318.db2.gz BAORHEBBGBUKLJ-GBESFXJTSA-N 2 0 302.462 3.706 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccccc1F ZINC000422848786 1027339088 /nfs/dbraw/zinc/33/90/88/1027339088.db2.gz KKUXLUAFTTVSOI-HNAYVOBHSA-N 2 0 314.448 3.651 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422847318 1027340645 /nfs/dbraw/zinc/34/06/45/1027340645.db2.gz RDWZGBJXLCZYLQ-GUDVDZBRSA-N 2 0 316.464 3.758 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422862930 1027343691 /nfs/dbraw/zinc/34/36/91/1027343691.db2.gz OFKYSRHEMXCETL-SFTDATJTSA-N 2 0 324.468 3.620 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422858376 1027343977 /nfs/dbraw/zinc/34/39/77/1027343977.db2.gz ZWQQWPILZCGLIE-XFIYOXNOSA-N 2 0 318.427 3.865 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]C3CCC([NH3+])CC3)c(C)c2c1 ZINC000422860741 1027344643 /nfs/dbraw/zinc/34/46/43/1027344643.db2.gz MURVILFBUIDQKX-HSBZDZAISA-N 2 0 302.418 3.670 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422880683 1027346401 /nfs/dbraw/zinc/34/64/01/1027346401.db2.gz XMMHEFNRBQPBLY-ARFHVFGLSA-N 2 0 324.415 3.607 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000422845896 1027347524 /nfs/dbraw/zinc/34/75/24/1027347524.db2.gz CXTBXCAWELDDKC-ZDUSSCGKSA-N 2 0 315.436 3.616 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422885568 1027351836 /nfs/dbraw/zinc/35/18/36/1027351836.db2.gz GZURFKFZHBCXED-OLZOCXBDSA-N 2 0 315.486 3.685 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422870376 1027352785 /nfs/dbraw/zinc/35/27/85/1027352785.db2.gz YRCCWSWWFSNIQS-LEWJYISDSA-N 2 0 324.468 3.620 20 0 DHADRP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3cnc4ccccc4c3)CCN2)cc1 ZINC000422912567 1027357845 /nfs/dbraw/zinc/35/78/45/1027357845.db2.gz NIHTZXDCQXOVCU-FPOVZHCZSA-N 2 0 317.436 3.818 20 0 DHADRP CC(C)C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422907221 1027358974 /nfs/dbraw/zinc/35/89/74/1027358974.db2.gz LCRNAVMVQAJMRB-MLGOLLRUSA-N 2 0 314.395 3.990 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422916155 1027359988 /nfs/dbraw/zinc/35/99/88/1027359988.db2.gz CMLCBWBZXPMCGB-AYBZRNKSSA-N 2 0 301.478 3.600 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422924952 1027362061 /nfs/dbraw/zinc/36/20/61/1027362061.db2.gz ZLTIFIMBJSEAMD-DOMZBBRYSA-N 2 0 312.860 3.734 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422924955 1027362376 /nfs/dbraw/zinc/36/23/76/1027362376.db2.gz ZLTIFIMBJSEAMD-WFASDCNBSA-N 2 0 312.860 3.734 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc2)cc1 ZINC000422916726 1027363243 /nfs/dbraw/zinc/36/32/43/1027363243.db2.gz DWZYDTUZTKGOJC-INIZCTEOSA-N 2 0 312.457 3.969 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422892986 1027363564 /nfs/dbraw/zinc/36/35/64/1027363564.db2.gz ZZKCICKZSWSMSM-UZLBHIALSA-N 2 0 312.457 3.586 20 0 DHADRP C[C@H]([NH2+][C@@H](CCCc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422931019 1027365198 /nfs/dbraw/zinc/36/51/98/1027365198.db2.gz WNNCQZFTMFTIEZ-UWJYYQICSA-N 2 0 308.469 3.948 20 0 DHADRP COc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422937937 1027369234 /nfs/dbraw/zinc/36/92/34/1027369234.db2.gz DISRGHSGUFIZOL-XUVXKRRUSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422941631 1027369390 /nfs/dbraw/zinc/36/93/90/1027369390.db2.gz JVEDOVHOVWXKDI-IAGOWNOFSA-N 2 0 312.457 3.524 20 0 DHADRP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422940161 1027369590 /nfs/dbraw/zinc/36/95/90/1027369590.db2.gz SEHMWOZDKSDGNW-HBMCJLEFSA-N 2 0 308.469 3.893 20 0 DHADRP [NH3+]CC1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000422946524 1027375119 /nfs/dbraw/zinc/37/51/19/1027375119.db2.gz OXDSOAPMPXVXKI-UHFFFAOYSA-N 2 0 323.278 3.545 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422978493 1027383140 /nfs/dbraw/zinc/38/31/40/1027383140.db2.gz HMJWDYSYZIEIOK-AABGKKOBSA-N 2 0 316.489 3.720 20 0 DHADRP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422992712 1027383905 /nfs/dbraw/zinc/38/39/05/1027383905.db2.gz DGPFDSACJFFWEE-AKSNENBUSA-N 2 0 302.462 3.545 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000422998468 1027386126 /nfs/dbraw/zinc/38/61/26/1027386126.db2.gz CVMIGSYXZSCXHP-RBUKOAKNSA-N 2 0 304.478 3.652 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000422986092 1027386690 /nfs/dbraw/zinc/38/66/90/1027386690.db2.gz BJYOEHVEXWWQKT-QZTJIDSGSA-N 2 0 324.896 3.915 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422999196 1027387870 /nfs/dbraw/zinc/38/78/70/1027387870.db2.gz DWUQUVSGAFNNCZ-GJZGRUSLSA-N 2 0 316.420 3.876 20 0 DHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423011736 1027389407 /nfs/dbraw/zinc/38/94/07/1027389407.db2.gz BLBGJFISCBXFQQ-RCUQFMMVSA-N 2 0 314.404 3.636 20 0 DHADRP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423007874 1027391771 /nfs/dbraw/zinc/39/17/71/1027391771.db2.gz YWLWRDWASSVVMN-GVDBMIGSSA-N 2 0 306.519 3.762 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423048900 1027392916 /nfs/dbraw/zinc/39/29/16/1027392916.db2.gz JJPFZXNEVMWNOP-LEWJYISDSA-N 2 0 308.469 3.557 20 0 DHADRP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423024560 1027396493 /nfs/dbraw/zinc/39/64/93/1027396493.db2.gz MATLWGTYUSJAPU-MELADBBJSA-N 2 0 314.395 3.929 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423095557 1027415439 /nfs/dbraw/zinc/41/54/39/1027415439.db2.gz FKPZFLMZYXTXOC-LYIQGSDWSA-N 2 0 301.261 3.955 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423045538 1027400210 /nfs/dbraw/zinc/40/02/10/1027400210.db2.gz SOKJIQHJFGSAOF-ZMYBRWDISA-N 2 0 302.437 3.739 20 0 DHADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423062828 1027404394 /nfs/dbraw/zinc/40/43/94/1027404394.db2.gz NVOMBZDWYFWJEE-RBZYPMLTSA-N 2 0 317.246 3.755 20 0 DHADRP C1C[NH2+][C@H]([C@@H]2COCC[C@H]2[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000423074485 1027406338 /nfs/dbraw/zinc/40/63/38/1027406338.db2.gz UUUMSIFDNYEMOX-GBESFXJTSA-N 2 0 320.521 3.626 20 0 DHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423054491 1027407513 /nfs/dbraw/zinc/40/75/13/1027407513.db2.gz URDUGWSLILWSKG-MOPGFXCFSA-N 2 0 316.489 3.623 20 0 DHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423074784 1027408336 /nfs/dbraw/zinc/40/83/36/1027408336.db2.gz VFXMHKNCIPASKZ-QXCFHYIPSA-N 2 0 314.473 3.719 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c2ccccc21 ZINC000423093798 1027415578 /nfs/dbraw/zinc/41/55/78/1027415578.db2.gz IMCRUZBQVSQJPD-SNTIZLKRSA-N 2 0 314.379 3.945 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC(c2ccccc2)C1 ZINC000423115827 1027418242 /nfs/dbraw/zinc/41/82/42/1027418242.db2.gz OJSOWAFWNXWBMO-CTHNVIJVSA-N 2 0 308.469 3.728 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423101753 1027418666 /nfs/dbraw/zinc/41/86/66/1027418666.db2.gz JDRDQSNJIZNBBT-DYVFJYSZSA-N 2 0 310.869 3.525 20 0 DHADRP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423120365 1027419077 /nfs/dbraw/zinc/41/90/77/1027419077.db2.gz GEENKFYGHOSWKO-DEQVHRJGSA-N 2 0 310.894 3.899 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423125386 1027420915 /nfs/dbraw/zinc/42/09/15/1027420915.db2.gz HYSXSHHISSLDTR-TZMCWYRMSA-N 2 0 311.420 3.715 20 0 DHADRP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423127998 1027420930 /nfs/dbraw/zinc/42/09/30/1027420930.db2.gz CTVQPVILNUTEHP-GVDBMIGSSA-N 2 0 308.416 3.809 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423124221 1027421700 /nfs/dbraw/zinc/42/17/00/1027421700.db2.gz MGKSXSXWZJILAM-XPTSAGLGSA-N 2 0 322.321 3.591 20 0 DHADRP c1cc2c(cccc2CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[nH]1 ZINC000423109147 1027425452 /nfs/dbraw/zinc/42/54/52/1027425452.db2.gz HBARCCYWKBVDJF-YZGWKJHDSA-N 2 0 311.473 3.611 20 0 DHADRP Clc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000423132220 1027425490 /nfs/dbraw/zinc/42/54/90/1027425490.db2.gz OWWRVWQQBWXGSJ-SJPCQFCGSA-N 2 0 304.865 3.678 20 0 DHADRP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCCCC1)C1C[NH2+]C1 ZINC000423147006 1027428222 /nfs/dbraw/zinc/42/82/22/1027428222.db2.gz BQMWSNFUVRGBGG-AWEZNQCLSA-N 2 0 306.881 3.739 20 0 DHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423145022 1027428700 /nfs/dbraw/zinc/42/87/00/1027428700.db2.gz IQVYRMSWQHWNMX-LEUOFYLZSA-N 2 0 316.514 3.776 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423145788 1027428798 /nfs/dbraw/zinc/42/87/98/1027428798.db2.gz MLIBNLNEJXIVPY-NBHGPNQESA-N 2 0 308.469 3.655 20 0 DHADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCC1 ZINC000423153909 1027432424 /nfs/dbraw/zinc/43/24/24/1027432424.db2.gz OBIMYIDJPKKVCE-XLIONFOSSA-N 2 0 314.473 3.658 20 0 DHADRP C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423135898 1027434706 /nfs/dbraw/zinc/43/47/06/1027434706.db2.gz ONSBMJQXBJIBIF-CWRNSKLLSA-N 2 0 314.395 3.843 20 0 DHADRP c1c2ccccc2sc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423138101 1027434998 /nfs/dbraw/zinc/43/49/98/1027434998.db2.gz SBSGBGWDKVKWFU-KURKYZTESA-N 2 0 314.498 3.954 20 0 DHADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423166477 1027439380 /nfs/dbraw/zinc/43/93/80/1027439380.db2.gz ZIAIXRHRPXPMMN-QQTQMKHKSA-N 2 0 314.473 3.658 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000423179950 1027442602 /nfs/dbraw/zinc/44/26/02/1027442602.db2.gz NAKFIQYIJBERTD-YJBOKZPZSA-N 2 0 320.452 3.545 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423213353 1027449973 /nfs/dbraw/zinc/44/99/73/1027449973.db2.gz JVINKRYORGFARJ-DYEKYZERSA-N 2 0 309.523 3.788 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423212722 1027450214 /nfs/dbraw/zinc/45/02/14/1027450214.db2.gz MEGVRDFAWPUVKL-YXJHDRRASA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423196144 1027451685 /nfs/dbraw/zinc/45/16/85/1027451685.db2.gz ZBCBZKQQFFSBLE-KMANFZQXSA-N 2 0 306.881 3.954 20 0 DHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423196132 1027453104 /nfs/dbraw/zinc/45/31/04/1027453104.db2.gz ZAEYMTXBDNWXDX-CAIZAGQASA-N 2 0 316.489 3.699 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2cccc(Br)c21 ZINC000423216798 1027458597 /nfs/dbraw/zinc/45/85/97/1027458597.db2.gz OXBJTQVIGQKOKK-TVRADYJESA-N 2 0 323.278 3.857 20 0 DHADRP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000423214239 1027460345 /nfs/dbraw/zinc/46/03/45/1027460345.db2.gz OMSROTPIAOPHJQ-NVXWUHKLSA-N 2 0 320.477 3.524 20 0 DHADRP Fc1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218746 1027462367 /nfs/dbraw/zinc/46/23/67/1027462367.db2.gz VYPHGMRCBLUEHD-PXNSSMCTSA-N 2 0 312.432 3.699 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(SCC(F)F)cc1 ZINC000423221768 1027465077 /nfs/dbraw/zinc/46/50/77/1027465077.db2.gz XZZODBXCOWSXJX-XGNXJENSSA-N 2 0 314.445 3.964 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423250465 1027474452 /nfs/dbraw/zinc/47/44/52/1027474452.db2.gz QHLSIQAZMPAPJO-BEFAXECRSA-N 2 0 302.462 3.516 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423251348 1027475033 /nfs/dbraw/zinc/47/50/33/1027475033.db2.gz RUSZSWQMXIEHSR-HIFRSBDPSA-N 2 0 315.486 3.769 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423256349 1027479797 /nfs/dbraw/zinc/47/97/97/1027479797.db2.gz BPNREONCEDYIPB-MAZHCROVSA-N 2 0 314.395 3.787 20 0 DHADRP CC(C)C[C@H](C[NH3+])N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423259692 1027480128 /nfs/dbraw/zinc/48/01/28/1027480128.db2.gz FOFGEPPVHYIWSB-TZMCWYRMSA-N 2 0 318.383 3.652 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000562523380 1027481293 /nfs/dbraw/zinc/48/12/93/1027481293.db2.gz MUTCACLLLIRYDS-LJQANCHMSA-N 2 0 322.468 3.615 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423288685 1027481230 /nfs/dbraw/zinc/48/12/30/1027481230.db2.gz UJRNMHNARWQPBO-UONOGXRCSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423293524 1027486513 /nfs/dbraw/zinc/48/65/13/1027486513.db2.gz ABRPCONSUZTHSH-FZMZJTMJSA-N 2 0 319.449 3.511 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423289177 1027487157 /nfs/dbraw/zinc/48/71/57/1027487157.db2.gz AMYVKRMWJPWIPE-XOBRGWDASA-N 2 0 310.441 3.882 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1Cl ZINC000423277733 1027493108 /nfs/dbraw/zinc/49/31/08/1027493108.db2.gz QBKZQMNZHYVHCT-PBHICJAKSA-N 2 0 312.885 3.769 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423275820 1027493698 /nfs/dbraw/zinc/49/36/98/1027493698.db2.gz NOYKVTLWMAUXKZ-JGGQBBKZSA-N 2 0 314.395 3.787 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423277522 1027494571 /nfs/dbraw/zinc/49/45/71/1027494571.db2.gz OJBIXCNNIHLBGT-FPMFFAJLSA-N 2 0 309.523 3.917 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1Cl ZINC000423310691 1027497157 /nfs/dbraw/zinc/49/71/57/1027497157.db2.gz ASIXSALUUUCRGM-DYVFJYSZSA-N 2 0 310.869 3.523 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423316371 1027501204 /nfs/dbraw/zinc/50/12/04/1027501204.db2.gz ZZGMHUMXPSLCQM-DOMZBBRYSA-N 2 0 308.878 3.870 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000423295318 1027503584 /nfs/dbraw/zinc/50/35/84/1027503584.db2.gz WLNIHMZGIMLGCY-STQMWFEESA-N 2 0 302.393 3.705 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423295768 1027504575 /nfs/dbraw/zinc/50/45/75/1027504575.db2.gz FOYBVMAZJAUWGJ-GHMZBOCLSA-N 2 0 307.438 3.503 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(F)c1 ZINC000423294146 1027505090 /nfs/dbraw/zinc/50/50/90/1027505090.db2.gz TUZGJWIWZFHLNT-QWHCGFSZSA-N 2 0 302.393 3.705 20 0 DHADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCC[NH3+])CCC3)cc1 ZINC000423345611 1027508511 /nfs/dbraw/zinc/50/85/11/1027508511.db2.gz XWHNSXYRVQNLHU-HNNXBMFYSA-N 2 0 315.486 3.824 20 0 DHADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423326824 1027509607 /nfs/dbraw/zinc/50/96/07/1027509607.db2.gz REPCXHBGVJRGLM-GFCCVEGCSA-N 2 0 302.368 3.502 20 0 DHADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423332608 1027511458 /nfs/dbraw/zinc/51/14/58/1027511458.db2.gz DQGYANNRSFDTJS-SFHVURJKSA-N 2 0 306.881 3.807 20 0 DHADRP COc1ccc([C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423334063 1027514423 /nfs/dbraw/zinc/51/44/23/1027514423.db2.gz QJYPWQLWRZZJLC-HXUWFJFHSA-N 2 0 324.468 3.764 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423334379 1027514598 /nfs/dbraw/zinc/51/45/98/1027514598.db2.gz IGYHQPLHXXZWDB-JFILPPLUSA-N 2 0 312.910 3.873 20 0 DHADRP CC1(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423341873 1027517064 /nfs/dbraw/zinc/51/70/64/1027517064.db2.gz WYLINCYZTBUTGL-WBVHZDCISA-N 2 0 306.881 3.955 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423374207 1027517965 /nfs/dbraw/zinc/51/79/65/1027517965.db2.gz IBAOJKHKEZRBOK-IBGZPJMESA-N 2 0 308.425 3.602 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423369011 1027523778 /nfs/dbraw/zinc/52/37/78/1027523778.db2.gz DRAXKJYDXDOACT-DRZSPHRISA-N 2 0 302.340 3.506 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)sc1Br ZINC000423364366 1027524429 /nfs/dbraw/zinc/52/44/29/1027524429.db2.gz VQFRLHUAEIZHLO-WDEREUQCSA-N 2 0 317.296 3.612 20 0 DHADRP Cc1cccc(C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C2CC2)c1 ZINC000423369048 1027524577 /nfs/dbraw/zinc/52/45/77/1027524577.db2.gz DSZVTUZGCBZKHR-OAQYLSRUSA-N 2 0 306.453 3.709 20 0 DHADRP C[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1cc(F)cc(F)c1 ZINC000296042201 1027525607 /nfs/dbraw/zinc/52/56/07/1027525607.db2.gz OBFRDYHOHPMSIU-GUPASQGTSA-N 2 0 308.416 3.625 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[NH2+]1 ZINC000423381761 1027526313 /nfs/dbraw/zinc/52/63/13/1027526313.db2.gz ONOGVCBQXMDJEN-HFBAOOFYSA-N 2 0 312.379 3.887 20 0 DHADRP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423385666 1027527743 /nfs/dbraw/zinc/52/77/43/1027527743.db2.gz GVGVLJRFMZPOGW-GJYPPUQNSA-N 2 0 304.478 3.760 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423378019 1027528650 /nfs/dbraw/zinc/52/86/50/1027528650.db2.gz LYTMBAIQOSVFMW-HLLBOEOZSA-N 2 0 320.477 3.665 20 0 DHADRP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423384679 1027528846 /nfs/dbraw/zinc/52/88/46/1027528846.db2.gz GGHDSJCYAULUDI-KCXAZCMYSA-N 2 0 314.395 3.990 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)c1 ZINC000423389242 1027531327 /nfs/dbraw/zinc/53/13/27/1027531327.db2.gz ODOIRLIMCYVKBI-DYXWJJEUSA-N 2 0 324.468 3.839 20 0 DHADRP COCC1(C[NH2+][C@H](C)c2cccc3ccccc32)CC[NH2+]CC1 ZINC000423398084 1027533945 /nfs/dbraw/zinc/53/39/45/1027533945.db2.gz SYROSHWKAMFBEN-MRXNPFEDSA-N 2 0 312.457 3.507 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423375746 1027534139 /nfs/dbraw/zinc/53/41/39/1027534139.db2.gz IUYKMYQWTYQTFR-IBGZPJMESA-N 2 0 308.425 3.602 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423393112 1027534393 /nfs/dbraw/zinc/53/43/93/1027534393.db2.gz YKTMNRLMCJDCNU-LRQRDZAKSA-N 2 0 324.468 3.709 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000423395055 1027535690 /nfs/dbraw/zinc/53/56/90/1027535690.db2.gz NCAJEHJNOSCMNC-WWGRRREGSA-N 2 0 310.869 3.776 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(OC(F)F)c1 ZINC000423421336 1027537011 /nfs/dbraw/zinc/53/70/11/1027537011.db2.gz KFJQEHDZKGULHI-MGPQQGTHSA-N 2 0 312.404 3.704 20 0 DHADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423424023 1027537877 /nfs/dbraw/zinc/53/78/77/1027537877.db2.gz CHIAKMHVJVBHCO-HRCADAONSA-N 2 0 324.415 3.717 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423409335 1027541492 /nfs/dbraw/zinc/54/14/92/1027541492.db2.gz YSVUIKXUGFRFKX-KCXAZCMYSA-N 2 0 300.471 3.866 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423448489 1027544356 /nfs/dbraw/zinc/54/43/56/1027544356.db2.gz FHMYUQWDBVFSMG-DNVCBOLYSA-N 2 0 300.421 3.827 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000423433119 1027549287 /nfs/dbraw/zinc/54/92/87/1027549287.db2.gz WPMFNEOPLRGWGT-XJKCOSOUSA-N 2 0 308.466 3.717 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423434024 1027550708 /nfs/dbraw/zinc/55/07/08/1027550708.db2.gz CWBMCAUNTJCXFZ-YESZJQIVSA-N 2 0 304.478 3.678 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000423460913 1027554702 /nfs/dbraw/zinc/55/47/02/1027554702.db2.gz BTCQEKQZVKFPLT-GMXVVIOVSA-N 2 0 316.367 3.595 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000423461759 1027555154 /nfs/dbraw/zinc/55/51/54/1027555154.db2.gz CREPLYLFRMAMIY-DJSGYFEHSA-N 2 0 323.278 3.544 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423468485 1027558566 /nfs/dbraw/zinc/55/85/66/1027558566.db2.gz CAKWQORZIJPMHI-HOCLYGCPSA-N 2 0 308.853 3.676 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000423471876 1027559493 /nfs/dbraw/zinc/55/94/93/1027559493.db2.gz FOMYVSRTUKRJGG-YLJYHZDGSA-N 2 0 323.484 3.577 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423478653 1027560562 /nfs/dbraw/zinc/56/05/62/1027560562.db2.gz UIEABHDSVXKUTM-QRTARXTBSA-N 2 0 322.880 3.969 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCS2 ZINC000423478729 1027560581 /nfs/dbraw/zinc/56/05/81/1027560581.db2.gz LFBNWRWLBUYURE-DOTOQJQBSA-N 2 0 304.503 3.962 20 0 DHADRP CC(C)C1CC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423480859 1027560932 /nfs/dbraw/zinc/56/09/32/1027560932.db2.gz WEHPKIXECPNQQX-DHRZBBNESA-N 2 0 304.453 3.543 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423478615 1027560999 /nfs/dbraw/zinc/56/09/99/1027560999.db2.gz UCQSHTVVGNRMMT-BARDWOONSA-N 2 0 317.502 3.895 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCS2 ZINC000423484903 1027571399 /nfs/dbraw/zinc/57/13/99/1027571399.db2.gz RGXWINWASJDFPG-HIFRSBDPSA-N 2 0 310.894 3.999 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423486989 1027571745 /nfs/dbraw/zinc/57/17/45/1027571745.db2.gz TYHVOHMCUVOCOZ-KURKYZTESA-N 2 0 301.478 3.538 20 0 DHADRP C[C@@H](CCc1ccsc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423517228 1027576329 /nfs/dbraw/zinc/57/63/29/1027576329.db2.gz BHWGKVXKUFFQAK-RLWQEURSSA-N 2 0 318.530 3.812 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423531665 1027578378 /nfs/dbraw/zinc/57/83/78/1027578378.db2.gz SZZOZOXRQJNPRV-ZDUSSCGKSA-N 2 0 315.486 3.911 20 0 DHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423539736 1027582966 /nfs/dbraw/zinc/58/29/66/1027582966.db2.gz PFABIORGBPOVOQ-CQSZACIVSA-N 2 0 313.470 3.771 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc2ccccc2s1 ZINC000423541004 1027583350 /nfs/dbraw/zinc/58/33/50/1027583350.db2.gz KJYKRTAFWRUWQR-DRPJVOAASA-N 2 0 300.471 3.940 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CCC[NH2+]C1CC1)C1CCCC1 ZINC000423572602 1027590118 /nfs/dbraw/zinc/59/01/18/1027590118.db2.gz YJOTZWRHSJVEAQ-IBGZPJMESA-N 2 0 302.462 3.658 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775604 1027599322 /nfs/dbraw/zinc/59/93/22/1027599322.db2.gz VBXSWFXHQJCNRU-ZBFHGGJFSA-N 2 0 312.379 3.622 20 0 DHADRP Cc1cnccc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000576462618 1027618108 /nfs/dbraw/zinc/61/81/08/1027618108.db2.gz LRHFFSHUEOGJLF-AZUAARDMSA-N 2 0 323.484 3.780 20 0 DHADRP CC(C)(C)c1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000576629239 1027640574 /nfs/dbraw/zinc/64/05/74/1027640574.db2.gz NNKNVSSFFNEUEF-UHFFFAOYSA-N 2 0 314.517 3.991 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000576654254 1027641942 /nfs/dbraw/zinc/64/19/42/1027641942.db2.gz IOGAQJXLJRQLSM-OAQYLSRUSA-N 2 0 312.501 3.780 20 0 DHADRP C[C@H](CCCCO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000296540099 1027663603 /nfs/dbraw/zinc/66/36/03/1027663603.db2.gz QXNMKIGUCROOJA-QHGAOEGBSA-N 2 0 318.505 3.570 20 0 DHADRP C[C@@H](CC(C)(C)O)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000296632028 1027692180 /nfs/dbraw/zinc/69/21/80/1027692180.db2.gz XLEKEKZSAUJCHI-IVMQYODDSA-N 2 0 318.505 3.569 20 0 DHADRP CC(C)=CCC[C@H](C)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000577306085 1027743362 /nfs/dbraw/zinc/74/33/62/1027743362.db2.gz RNWICCGZJLUMDQ-IBGZPJMESA-N 2 0 323.569 3.717 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000577327501 1027750369 /nfs/dbraw/zinc/75/03/69/1027750369.db2.gz PJEHUUAPJZGUGF-HXUWFJFHSA-N 2 0 309.457 3.638 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000577395516 1027763805 /nfs/dbraw/zinc/76/38/05/1027763805.db2.gz MLUIEVWALKSHBF-OLZOCXBDSA-N 2 0 302.384 3.744 20 0 DHADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc(C)c1O ZINC000577423278 1027767201 /nfs/dbraw/zinc/76/72/01/1027767201.db2.gz DCNDYTYYBGURGF-KRWDZBQOSA-N 2 0 304.478 3.753 20 0 DHADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000577500653 1027794278 /nfs/dbraw/zinc/79/42/78/1027794278.db2.gz GOBRZNLHOZGOTN-XUVXKRRUSA-N 2 0 316.489 3.622 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527652550 1027809727 /nfs/dbraw/zinc/80/97/27/1027809727.db2.gz HLXMANIPDRQMNR-OFCAXSSNSA-N 2 0 312.501 3.575 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000527671432 1027817656 /nfs/dbraw/zinc/81/76/56/1027817656.db2.gz RMGFZAFYCVGPJT-UHFFFAOYSA-N 2 0 309.885 3.583 20 0 DHADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562958755 1027827289 /nfs/dbraw/zinc/82/72/89/1027827289.db2.gz SIWYVSPADCMXNV-XUVXKRRUSA-N 2 0 316.489 3.527 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000577600574 1027838915 /nfs/dbraw/zinc/83/89/15/1027838915.db2.gz OXKPCVYKXQRPTL-IDOMTICXSA-N 2 0 316.489 3.552 20 0 DHADRP Cc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527680624 1027841342 /nfs/dbraw/zinc/84/13/42/1027841342.db2.gz AGGUVAJHRODNQZ-WIYYLYMNSA-N 2 0 323.484 3.780 20 0 DHADRP C[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000577751986 1027917627 /nfs/dbraw/zinc/91/76/27/1027917627.db2.gz YIADJDVJEJUTMY-BBRMVZONSA-N 2 0 314.395 3.697 20 0 DHADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC12CC2 ZINC000527862260 1027924176 /nfs/dbraw/zinc/92/41/76/1027924176.db2.gz ABZNDOBGCGIWMD-SQIBXOBRSA-N 2 0 312.501 3.921 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC12CC2 ZINC000527867811 1027926889 /nfs/dbraw/zinc/92/68/89/1027926889.db2.gz YFDFTHYRHRINII-PANBIXPWSA-N 2 0 310.485 3.960 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527850822 1027933559 /nfs/dbraw/zinc/93/35/59/1027933559.db2.gz LHUGGBUPBXOUJE-YVEFUNNKSA-N 2 0 310.844 3.788 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000563217372 1027939477 /nfs/dbraw/zinc/93/94/77/1027939477.db2.gz PXZWJQLXBDCKIL-MISYRCLQSA-N 2 0 322.537 3.514 20 0 DHADRP CC1(C)[C@@H]2C[C@H]([NH+]3CCC([NH3+])(Cc4ccccc4F)CC3)C[C@@H]21 ZINC001170736567 1027972249 /nfs/dbraw/zinc/97/22/49/1027972249.db2.gz AOWVAKCKSFKJDA-BJWYYQGGSA-N 2 0 316.464 3.596 20 0 DHADRP CC1=C[C@H](C)C[C@@H](C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000365621279 1027985207 /nfs/dbraw/zinc/98/52/07/1027985207.db2.gz UFPFRTJDQHYUDS-FUHWJXTLSA-N 2 0 320.521 3.554 20 0 DHADRP Fc1ccccc1C1CC([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000528000596 1028023783 /nfs/dbraw/zinc/02/37/83/1028023783.db2.gz JPLQMDQAGINMPQ-DQPZFDDXSA-N 2 0 302.437 3.678 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1c(Cl)oc2ccccc21 ZINC000578470851 1028159496 /nfs/dbraw/zinc/15/94/96/1028159496.db2.gz VRETUOYLJHZDOR-IUODEOHRSA-N 2 0 306.837 3.858 20 0 DHADRP CC(C)C1CCC(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000578557025 1028179912 /nfs/dbraw/zinc/17/99/12/1028179912.db2.gz AJKOXCOXGVOWQK-GNWGEKMJSA-N 2 0 322.537 3.632 20 0 DHADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170760291 1028184087 /nfs/dbraw/zinc/18/40/87/1028184087.db2.gz HYHLWQIWRJMOTL-YSTOQKLRSA-N 2 0 312.501 3.875 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000578617379 1028196381 /nfs/dbraw/zinc/19/63/81/1028196381.db2.gz JWTMJFFWDQUOJL-SNRMKQJTSA-N 2 0 323.484 3.911 20 0 DHADRP FC(F)(F)C1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000367533464 1028198236 /nfs/dbraw/zinc/19/82/36/1028198236.db2.gz LEIXYWJHYVADQD-UHFFFAOYSA-N 2 0 304.400 3.716 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCF)[C@H]1c1ccccc1 ZINC000367760527 1028236871 /nfs/dbraw/zinc/23/68/71/1028236871.db2.gz ZMKDODXOTQUJJK-NXWXRZEISA-N 2 0 304.453 3.797 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H](C)c1nc2ccccc2s1 ZINC000578879358 1028260851 /nfs/dbraw/zinc/26/08/51/1028260851.db2.gz OTAZWMIEQIYTTH-XDQVBPFNSA-N 2 0 303.475 3.505 20 0 DHADRP c1ccc(C2CC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)C2)nc1 ZINC000368025600 1028281035 /nfs/dbraw/zinc/28/10/35/1028281035.db2.gz XKKLWKCZXNBPMY-UHFFFAOYSA-N 2 0 321.468 3.713 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000578988219 1028294024 /nfs/dbraw/zinc/29/40/24/1028294024.db2.gz ODRRGSAJWKHDBV-UHFFFAOYSA-N 2 0 312.457 3.860 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCc2ccccn2)CC1 ZINC000449062155 1028299047 /nfs/dbraw/zinc/29/90/47/1028299047.db2.gz ISAWYYDDAGFMEG-UHFFFAOYSA-N 2 0 317.521 3.893 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579007952 1028299395 /nfs/dbraw/zinc/29/93/95/1028299395.db2.gz IRQAUSZQVUNXEU-NRFANRHFSA-N 2 0 304.437 3.832 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000579058296 1028309326 /nfs/dbraw/zinc/30/93/26/1028309326.db2.gz ZRHAKMKKXSGXAO-ZWKOTPCHSA-N 2 0 300.490 3.818 20 0 DHADRP COCC1CCC([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000449081058 1028343115 /nfs/dbraw/zinc/34/31/15/1028343115.db2.gz BJVIZIDUZRPCFM-YXWAVELNSA-N 2 0 310.526 3.539 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449081236 1028344387 /nfs/dbraw/zinc/34/43/87/1028344387.db2.gz CWTHQCMDJUJCMB-QGZVFWFLSA-N 2 0 318.509 3.742 20 0 DHADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000449098449 1028351953 /nfs/dbraw/zinc/35/19/53/1028351953.db2.gz JKEKYABVIGGMRB-MRXNPFEDSA-N 2 0 300.446 3.841 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000449103443 1028355141 /nfs/dbraw/zinc/35/51/41/1028355141.db2.gz ATKGYZKPJHYWLO-WMZOPIPTSA-N 2 0 308.897 3.983 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc3ccoc32)c1 ZINC000449091079 1028362739 /nfs/dbraw/zinc/36/27/39/1028362739.db2.gz PGNQSANYJDIXPH-UHFFFAOYSA-N 2 0 324.424 3.663 20 0 DHADRP CC[N@@H+]1CC[C@@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449088567 1028363522 /nfs/dbraw/zinc/36/35/22/1028363522.db2.gz IALCWAHQTFCJOZ-KRWDZBQOSA-N 2 0 323.569 3.597 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449095111 1028369003 /nfs/dbraw/zinc/36/90/03/1028369003.db2.gz WGVRVWIJIJHMJO-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368584515 1028377303 /nfs/dbraw/zinc/37/73/03/1028377303.db2.gz MXLVVJDEPBYAPH-UONOGXRCSA-N 2 0 307.507 3.673 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000449113861 1028391060 /nfs/dbraw/zinc/39/10/60/1028391060.db2.gz XTPQYJZLVPHANM-HKUYNNGSSA-N 2 0 310.526 3.682 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc3ccoc32)ccc1F ZINC000449151839 1028405664 /nfs/dbraw/zinc/40/56/64/1028405664.db2.gz BSAWTVVNISNHIR-UHFFFAOYSA-N 2 0 312.388 3.923 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000449172530 1028415553 /nfs/dbraw/zinc/41/55/53/1028415553.db2.gz JRYYDYVBGAFJOK-FXAWDEMLSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000449175164 1028417677 /nfs/dbraw/zinc/41/76/77/1028417677.db2.gz QPARTIYLYRJQLO-SJLPKXTDSA-N 2 0 323.569 3.738 20 0 DHADRP C[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000449175162 1028418720 /nfs/dbraw/zinc/41/87/20/1028418720.db2.gz QPARTIYLYRJQLO-AEFFLSMTSA-N 2 0 323.569 3.738 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000369111781 1028445501 /nfs/dbraw/zinc/44/55/01/1028445501.db2.gz ITPHYPLYWCPEPR-FXAWDEMLSA-N 2 0 315.505 3.818 20 0 DHADRP CSCC1CCC([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000449208783 1028446010 /nfs/dbraw/zinc/44/60/10/1028446010.db2.gz OJBWAPTXRQTGGG-LXPRWKDFSA-N 2 0 312.567 3.866 20 0 DHADRP COCC1CCC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000449218330 1028459311 /nfs/dbraw/zinc/45/93/11/1028459311.db2.gz HJSVPTPOQPYTTL-UHFFFAOYSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](CCc2ccccc2)CC1)c1cccnc1 ZINC000369244897 1028465058 /nfs/dbraw/zinc/46/50/58/1028465058.db2.gz UYXWMMJUWGEJBP-GOSISDBHSA-N 2 0 323.484 3.687 20 0 DHADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000449232118 1028471583 /nfs/dbraw/zinc/47/15/83/1028471583.db2.gz HBCLPBUFQWNLLN-QFBILLFUSA-N 2 0 318.505 3.558 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449251795 1028475720 /nfs/dbraw/zinc/47/57/20/1028475720.db2.gz PITXKEQCBVPMAM-SJLPKXTDSA-N 2 0 304.865 3.828 20 0 DHADRP C[C@@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)c1cc(F)cc(F)c1 ZINC000449266253 1028495190 /nfs/dbraw/zinc/49/51/90/1028495190.db2.gz UNRUKPCOAPEGCS-AWEZNQCLSA-N 2 0 308.416 3.629 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000564825355 1028506536 /nfs/dbraw/zinc/50/65/36/1028506536.db2.gz KTNHGNCNDUSRPP-UHFFFAOYSA-N 2 0 300.899 3.954 20 0 DHADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000369854752 1028539630 /nfs/dbraw/zinc/53/96/30/1028539630.db2.gz ZVWBRAZLDHFANZ-URLQWDBASA-N 2 0 313.420 3.564 20 0 DHADRP C[C@H]1CC(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000369862714 1028542387 /nfs/dbraw/zinc/54/23/87/1028542387.db2.gz JUZGESSZMVZHNT-IRXDYDNUSA-N 2 0 322.537 3.824 20 0 DHADRP Cn1cncc1CCC[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000565175651 1028551236 /nfs/dbraw/zinc/55/12/36/1028551236.db2.gz WEUFZFQLEIGUOP-HXUWFJFHSA-N 2 0 311.473 3.797 20 0 DHADRP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000565227004 1028560408 /nfs/dbraw/zinc/56/04/08/1028560408.db2.gz SWPBRYJDHYTVDG-RLFYNMQTSA-N 2 0 323.912 3.582 20 0 DHADRP CC1(F)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000449378085 1028600047 /nfs/dbraw/zinc/60/00/47/1028600047.db2.gz VPCRGBUOCPUOKI-PNIOZXJOSA-N 2 0 302.437 3.662 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000565549788 1028602996 /nfs/dbraw/zinc/60/29/96/1028602996.db2.gz SIIFDYLKWNMTIE-KBPBESRZSA-N 2 0 321.877 3.823 20 0 DHADRP Cc1sc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1-c1ccccc1 ZINC000370675931 1028635060 /nfs/dbraw/zinc/63/50/60/1028635060.db2.gz GTHANRZXEYMGCO-BBRMVZONSA-N 2 0 315.486 3.691 20 0 DHADRP CC[C@H]1CCC[C@@H]1C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000449432088 1028638949 /nfs/dbraw/zinc/63/89/49/1028638949.db2.gz FQUFBZMGOHNMLR-LSDHHAIUSA-N 2 0 321.534 3.826 20 0 DHADRP CC(C)[NH2+]CCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000565885849 1028647968 /nfs/dbraw/zinc/64/79/68/1028647968.db2.gz BCNQFMBPYANTLV-NSHDSACASA-N 2 0 320.811 3.980 20 0 DHADRP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000371354056 1028694520 /nfs/dbraw/zinc/69/45/20/1028694520.db2.gz KPLSNCVCTPGRPV-UHFFFAOYSA-N 2 0 321.468 3.570 20 0 DHADRP C[C@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CCn1ccnc1 ZINC000371651828 1028740537 /nfs/dbraw/zinc/74/05/37/1028740537.db2.gz SWIJFQCDKVOBHS-MRXNPFEDSA-N 2 0 306.413 3.638 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000371678509 1028745108 /nfs/dbraw/zinc/74/51/08/1028745108.db2.gz AKLYFDPDCFSJMV-UHFFFAOYSA-N 2 0 324.390 3.803 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]CCc1ccc(F)cc1Cl ZINC000449527840 1028758354 /nfs/dbraw/zinc/75/83/54/1028758354.db2.gz LGNAUFWDHYUHKU-UHFFFAOYSA-N 2 0 300.849 3.732 20 0 DHADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000372047955 1028800552 /nfs/dbraw/zinc/80/05/52/1028800552.db2.gz VZPOXYSOBLAMOF-ZMSDIMECSA-N 2 0 310.507 3.536 20 0 DHADRP C[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO[C@@H]1C1CC1 ZINC000372097501 1028807294 /nfs/dbraw/zinc/80/72/94/1028807294.db2.gz ZUUSHDFMSYNQBZ-WOJBJXKFSA-N 2 0 320.521 3.578 20 0 DHADRP CC[C@@H](CSC)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000566972824 1028810475 /nfs/dbraw/zinc/81/04/75/1028810475.db2.gz AJFBPGBOLPHSCD-ROUUACIJSA-N 2 0 318.530 3.915 20 0 DHADRP C[N@H+](Cc1cccc(Cl)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000372371629 1028845246 /nfs/dbraw/zinc/84/52/46/1028845246.db2.gz XRHKYWKABMVHMI-UHFFFAOYSA-N 2 0 315.848 3.836 20 0 DHADRP CC[NH+](Cc1cncc(C[N@@H+](CC)C2CCC2)c1)C1CCC1 ZINC000567190425 1028853199 /nfs/dbraw/zinc/85/31/99/1028853199.db2.gz DJFHGDBGGHRQNA-UHFFFAOYSA-N 2 0 301.478 3.830 20 0 DHADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000567371039 1028881617 /nfs/dbraw/zinc/88/16/17/1028881617.db2.gz LIFPBSLEKGLNTO-NEWSRXKRSA-N 2 0 300.490 3.890 20 0 DHADRP Cc1ncccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000372806578 1028903854 /nfs/dbraw/zinc/90/38/54/1028903854.db2.gz VVDULNMRHMMSBH-DYESRHJHSA-N 2 0 323.484 3.732 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC[C@H]1CCOC1 ZINC000449685080 1028911755 /nfs/dbraw/zinc/91/17/55/1028911755.db2.gz RCKBTRIPBKUCOJ-IBGZPJMESA-N 2 0 318.505 3.551 20 0 DHADRP Fc1ccc([C@H]2CCC[N@H+](CCCn3ccnc3)CC2)cc1 ZINC000373202127 1028973153 /nfs/dbraw/zinc/97/31/53/1028973153.db2.gz LCQYLGSZQDRLOK-INIZCTEOSA-N 2 0 301.409 3.682 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000373458614 1029048452 /nfs/dbraw/zinc/04/84/52/1029048452.db2.gz GYUKDFWYRLOWFK-KKSFZXQISA-N 2 0 323.484 3.699 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21 ZINC000568543704 1029090765 /nfs/dbraw/zinc/09/07/65/1029090765.db2.gz QBJRTAUTULVXTF-GJYPPUQNSA-N 2 0 300.490 3.771 20 0 DHADRP CCOC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411302486 1029097337 /nfs/dbraw/zinc/09/73/37/1029097337.db2.gz FPOUSRBDSGWDRH-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP c1cc(C[N@@H+]2CCCSCC2)ccc1C[NH+]1CCCCC1 ZINC000411415181 1029121894 /nfs/dbraw/zinc/12/18/94/1029121894.db2.gz FVHOINFHZAOSLC-UHFFFAOYSA-N 2 0 304.503 3.611 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC1 ZINC000373863061 1029155909 /nfs/dbraw/zinc/15/59/09/1029155909.db2.gz OURZAHLECMMYCJ-KOMQPUFPSA-N 2 0 304.453 3.924 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC000817416129 1029156165 /nfs/dbraw/zinc/15/61/65/1029156165.db2.gz KCCWXMUDEGURAD-UHFFFAOYSA-N 2 0 304.478 3.526 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000569199918 1029193969 /nfs/dbraw/zinc/19/39/69/1029193969.db2.gz ARCXAJZKJHPTQT-BXUZGUMPSA-N 2 0 321.877 3.681 20 0 DHADRP CCOCC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411767187 1029201011 /nfs/dbraw/zinc/20/10/11/1029201011.db2.gz MXKUPHVDKQWMRO-UHFFFAOYSA-N 2 0 304.478 3.577 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(C)(F)F)C2)s1 ZINC000569248940 1029201936 /nfs/dbraw/zinc/20/19/36/1029201936.db2.gz PQZQVTLYWNABPZ-AWEZNQCLSA-N 2 0 316.461 3.856 20 0 DHADRP CC(CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000411824172 1029216391 /nfs/dbraw/zinc/21/63/91/1029216391.db2.gz QMXPMVFZUHZPPJ-XRNRSJMDSA-N 2 0 304.522 3.959 20 0 DHADRP CCCCC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817891751 1029268565 /nfs/dbraw/zinc/26/85/65/1029268565.db2.gz GIHJTWSWNNHMFG-WDYCEAGBSA-N 2 0 302.462 3.801 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)c2ccccc21 ZINC000817895612 1029270638 /nfs/dbraw/zinc/27/06/38/1029270638.db2.gz ZJSBZRYVJXCZIR-NJYVYQBISA-N 2 0 322.452 3.889 20 0 DHADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1cccc3[nH]ccc31)CC2)C1CC1 ZINC000374283714 1029271988 /nfs/dbraw/zinc/27/19/88/1029271988.db2.gz OUUJXEFFWFLKCN-KRWDZBQOSA-N 2 0 323.484 3.864 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926410 1029280554 /nfs/dbraw/zinc/28/05/54/1029280554.db2.gz IDJZEBPQYHGIQN-GWCFXTLKSA-N 2 0 317.260 3.924 20 0 DHADRP C[NH2+]CCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817941312 1029281726 /nfs/dbraw/zinc/28/17/26/1029281726.db2.gz RZYIGJZBTFCAPV-AWEZNQCLSA-N 2 0 300.418 3.578 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817946919 1029286415 /nfs/dbraw/zinc/28/64/15/1029286415.db2.gz HUHRXYXHGFCBFF-DCAQKATOSA-N 2 0 316.276 3.614 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1nccc2ccccc21 ZINC000817947873 1029287536 /nfs/dbraw/zinc/28/75/36/1029287536.db2.gz DGNFGYWNGOOTHS-OAHLLOKOSA-N 2 0 305.425 3.587 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(CC[NH3+])cc3)oc21 ZINC000817947232 1029291150 /nfs/dbraw/zinc/29/11/50/1029291150.db2.gz AOEFTYNSCRJIEO-CQSZACIVSA-N 2 0 324.424 3.793 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000817947306 1029291928 /nfs/dbraw/zinc/29/19/28/1029291928.db2.gz BMPFPFONTHIWDW-LJQANCHMSA-N 2 0 318.411 3.953 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc2c(s1)CCCC2 ZINC000817950258 1029293921 /nfs/dbraw/zinc/29/39/21/1029293921.db2.gz XGPKLUQZFHSXSC-AWEZNQCLSA-N 2 0 314.498 3.979 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817954366 1029294529 /nfs/dbraw/zinc/29/45/29/1029294529.db2.gz CDWJWKNRDGEUSN-NEPJUHHUSA-N 2 0 300.418 3.652 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)CCCO2 ZINC000817969321 1029306878 /nfs/dbraw/zinc/30/68/78/1029306878.db2.gz URQCVSADCIPNCB-FQEVSTJZSA-N 2 0 322.452 3.856 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(SC(F)F)cc1 ZINC000817967762 1029308745 /nfs/dbraw/zinc/30/87/45/1029308745.db2.gz BNRRZQPHOFGDJF-WCQYABFASA-N 2 0 300.418 3.794 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)nc1 ZINC000817980899 1029318477 /nfs/dbraw/zinc/31/84/77/1029318477.db2.gz FPNFOYJDUBLPKA-CJNGLKHVSA-N 2 0 303.837 3.866 20 0 DHADRP Cc1cncc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000629527931 1029357915 /nfs/dbraw/zinc/35/79/15/1029357915.db2.gz JTKYTMGFBQMFEN-SFTDATJTSA-N 2 0 323.484 3.562 20 0 DHADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000629534649 1029361568 /nfs/dbraw/zinc/36/15/68/1029361568.db2.gz BEAOVZPINDLYEA-CYBMUJFWSA-N 2 0 322.449 3.570 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170896392 1029362181 /nfs/dbraw/zinc/36/21/81/1029362181.db2.gz YGOAGTGCKGRRTN-INIZCTEOSA-N 2 0 308.897 3.909 20 0 DHADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000629534666 1029362627 /nfs/dbraw/zinc/36/26/27/1029362627.db2.gz BEAOVZPINDLYEA-ZDUSSCGKSA-N 2 0 322.449 3.570 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@@H]1C(F)(F)F ZINC000629560033 1029368738 /nfs/dbraw/zinc/36/87/38/1029368738.db2.gz CIQJNMCNSMXEHK-HOCLYGCPSA-N 2 0 312.379 3.523 20 0 DHADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629560633 1029373496 /nfs/dbraw/zinc/37/34/96/1029373496.db2.gz GDILDSXFBGIVPV-VNQPRFMTSA-N 2 0 312.379 3.523 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CC3)ccc1OC ZINC000818356279 1029382925 /nfs/dbraw/zinc/38/29/25/1029382925.db2.gz MXOROIFPEHIRPE-RDTXWAMCSA-N 2 0 302.462 3.740 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC(F)(F)C1 ZINC000529541757 1029385537 /nfs/dbraw/zinc/38/55/37/1029385537.db2.gz IPRGHBIBKSBDIN-CQSZACIVSA-N 2 0 308.416 3.806 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000629650184 1029404326 /nfs/dbraw/zinc/40/43/26/1029404326.db2.gz QHXKCYSXRZEKGH-IIAWOOMASA-N 2 0 308.416 3.532 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)[C@H](C)C1 ZINC001170913657 1029421537 /nfs/dbraw/zinc/42/15/37/1029421537.db2.gz HKGRJOQGRIBGIZ-OGWOLHLISA-N 2 0 320.908 3.906 20 0 DHADRP CC1(C)CC[C@H]1[NH2+]Cc1cncc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000570822146 1029425704 /nfs/dbraw/zinc/42/57/04/1029425704.db2.gz APYUIVPSIZTKRU-IAGOWNOFSA-N 2 0 301.478 3.638 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000120960192 1029451893 /nfs/dbraw/zinc/45/18/93/1029451893.db2.gz WFKMIFULHVETEA-AWEZNQCLSA-N 2 0 316.420 3.747 20 0 DHADRP CCc1cc(N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)cc[nH+]1 ZINC000450461335 1029481373 /nfs/dbraw/zinc/48/13/73/1029481373.db2.gz ATUQRWNYKOKKJA-LJQANCHMSA-N 2 0 324.472 3.530 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170948499 1029733726 /nfs/dbraw/zinc/73/37/26/1029733726.db2.gz HMUQJCJUGCOCGL-JFIYKMOQSA-N 2 0 318.480 3.641 20 0 DHADRP CC(C)C[C@@H](C)[NH+]1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000450940923 1029742937 /nfs/dbraw/zinc/74/29/37/1029742937.db2.gz SCWFBZGYYRTQPR-CVEARBPZSA-N 2 0 321.534 3.864 20 0 DHADRP c1cn(Cc2ccccc2Cn2ccnc2C2CC2)c(C2CC2)n1 ZINC000530130115 1029746740 /nfs/dbraw/zinc/74/67/40/1029746740.db2.gz FCEHXFGSIPTRML-UHFFFAOYSA-N 2 0 318.424 3.931 20 0 DHADRP CCCCCC[C@@H](CCCC)[NH2+]CCCCN1CC[NH2+]CC1 ZINC001246088008 1029756283 /nfs/dbraw/zinc/75/62/83/1029756283.db2.gz HMDCREGCKNAZII-LJQANCHMSA-N 2 0 311.558 3.791 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000530179926 1029775720 /nfs/dbraw/zinc/77/57/20/1029775720.db2.gz YUWAGFGCPRHTFS-WFASDCNBSA-N 2 0 312.379 3.511 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000530219294 1029781478 /nfs/dbraw/zinc/78/14/78/1029781478.db2.gz PECUWBJZKLJKNR-QLFBSQMISA-N 2 0 302.453 3.958 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001170955118 1029787026 /nfs/dbraw/zinc/78/70/26/1029787026.db2.gz FKFZKCMXQOMPGM-OAHLLOKOSA-N 2 0 304.453 3.663 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000054465502 1029804422 /nfs/dbraw/zinc/80/44/22/1029804422.db2.gz UVUUCYGFRYBBQI-YOEHRIQHSA-N 2 0 300.471 3.865 20 0 DHADRP Clc1cnccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121685745 1029813953 /nfs/dbraw/zinc/81/39/53/1029813953.db2.gz NPVLCSNTSPKAMG-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP CCSCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000121808364 1029858853 /nfs/dbraw/zinc/85/88/53/1029858853.db2.gz HHYFLMMGECPEIG-SJLPKXTDSA-N 2 0 306.519 3.724 20 0 DHADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc2ncccc2c1 ZINC000303983097 1029861425 /nfs/dbraw/zinc/86/14/25/1029861425.db2.gz AFOKVWDFOXFTDD-UHFFFAOYSA-N 2 0 305.425 3.586 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCSC2)CCN1Cc1ccccc1 ZINC000865651758 1029960695 /nfs/dbraw/zinc/96/06/95/1029960695.db2.gz DLPRVSFFSXAHNG-BHIYHBOVSA-N 2 0 318.530 3.772 20 0 DHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC(C)(C)C)CC2)CC1 ZINC000530710755 1029972951 /nfs/dbraw/zinc/97/29/51/1029972951.db2.gz LWBJBQDWVPULGW-UHFFFAOYSA-N 2 0 323.569 3.551 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccc3cnccc32)CC1 ZINC000865717227 1029985582 /nfs/dbraw/zinc/98/55/82/1029985582.db2.gz SOGAPZABZXSWCM-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP Cc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc2cccnc12 ZINC000865765384 1030013988 /nfs/dbraw/zinc/01/39/88/1030013988.db2.gz SLHVYSIXMQQLBN-UHFFFAOYSA-N 2 0 311.473 3.896 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000865764830 1030015263 /nfs/dbraw/zinc/01/52/63/1030015263.db2.gz DXKIDHQQQPGWNT-UHFFFAOYSA-N 2 0 304.409 3.924 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000865765961 1030015368 /nfs/dbraw/zinc/01/53/68/1030015368.db2.gz UXFJBQYOVBBQLL-UHFFFAOYSA-N 2 0 312.404 3.641 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CCC(C)([NH+](C)C)CC3)ccc2n1 ZINC000865765034 1030015409 /nfs/dbraw/zinc/01/54/09/1030015409.db2.gz JCWPRIDSMOTGEI-UHFFFAOYSA-N 2 0 311.473 3.896 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C2CCCCCC2)CCO1 ZINC000865805261 1030029733 /nfs/dbraw/zinc/02/97/33/1030029733.db2.gz WUKDKTWNKTTWLQ-UHOSZYNNSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1cc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000530863660 1030050879 /nfs/dbraw/zinc/05/08/79/1030050879.db2.gz GQGPZQJRQXLXFR-LJQANCHMSA-N 2 0 300.490 3.776 20 0 DHADRP Fc1cccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1F ZINC000557267553 1030075575 /nfs/dbraw/zinc/07/55/75/1030075575.db2.gz FTZJYSOQLAYGEM-UHFFFAOYSA-N 2 0 322.443 3.894 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924524499 1030114184 /nfs/dbraw/zinc/11/41/84/1030114184.db2.gz BOJIAOHGCJEADC-BBRMVZONSA-N 2 0 309.885 3.822 20 0 DHADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccc(C)cc1 ZINC000924546035 1030119500 /nfs/dbraw/zinc/11/95/00/1030119500.db2.gz FTSGQJSLPWCQTL-NXEWRWPSSA-N 2 0 316.489 3.678 20 0 DHADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924583280 1030129240 /nfs/dbraw/zinc/12/92/40/1030129240.db2.gz RFBDNPATRATXGW-YQQQUEKLSA-N 2 0 316.514 3.799 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)c1 ZINC000924606060 1030136365 /nfs/dbraw/zinc/13/63/65/1030136365.db2.gz AECKGRPNQPLFAG-PZJWPPBQSA-N 2 0 323.484 3.644 20 0 DHADRP COCc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924611588 1030138522 /nfs/dbraw/zinc/13/85/22/1030138522.db2.gz YIZVWUPUOHGMBK-MRXNPFEDSA-N 2 0 312.457 3.745 20 0 DHADRP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccnnc1 ZINC000924678592 1030156941 /nfs/dbraw/zinc/15/69/41/1030156941.db2.gz CPULWMFNJIVCJO-SJORKVTESA-N 2 0 324.472 3.559 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924681032 1030157869 /nfs/dbraw/zinc/15/78/69/1030157869.db2.gz KNFOGVAFMDQABC-QGZVFWFLSA-N 2 0 321.896 3.824 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000924688603 1030160998 /nfs/dbraw/zinc/16/09/98/1030160998.db2.gz UBTFOYOGEJMEOJ-QYZOEREBSA-N 2 0 310.526 3.562 20 0 DHADRP CC(C)[N@H+](C)CCCN[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866224944 1030165974 /nfs/dbraw/zinc/16/59/74/1030165974.db2.gz JYQAOUMOAIJWBJ-GFCCVEGCSA-N 2 0 309.841 3.862 20 0 DHADRP C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866220457 1030166610 /nfs/dbraw/zinc/16/66/10/1030166610.db2.gz GJCOOTPTWALPBA-NSHDSACASA-N 2 0 319.836 3.759 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000866232157 1030168241 /nfs/dbraw/zinc/16/82/41/1030168241.db2.gz BNEQCQSEJVPNSP-QZTJIDSGSA-N 2 0 303.494 3.504 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3cccc(C)c32)cn1 ZINC000924725909 1030173104 /nfs/dbraw/zinc/17/31/04/1030173104.db2.gz ZTPUYZBUHQEGDP-SFHVURJKSA-N 2 0 318.424 3.661 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+]CCCCn1ccnc1 ZINC000866238514 1030173823 /nfs/dbraw/zinc/17/38/23/1030173823.db2.gz PIVOKCLYAZEQNM-QGZVFWFLSA-N 2 0 322.456 3.822 20 0 DHADRP C1CC([C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCCO2)C1 ZINC000866281418 1030201819 /nfs/dbraw/zinc/20/18/19/1030201819.db2.gz HUVNEELEROAACG-GUMHCPJTSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1cc(C)cc([C@H]([NH2+]CCCC[NH+](C)C)c2cccnc2)c1 ZINC000924853369 1030206812 /nfs/dbraw/zinc/20/68/12/1030206812.db2.gz JQKUYKPSDWGWNT-HXUWFJFHSA-N 2 0 311.473 3.719 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)CCC2 ZINC000357846885 1030219946 /nfs/dbraw/zinc/21/99/46/1030219946.db2.gz IZFOJYHZISTXLP-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171011416 1030232187 /nfs/dbraw/zinc/23/21/87/1030232187.db2.gz DOVUNZLELPXHNZ-INIZCTEOSA-N 2 0 306.881 3.660 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000924959564 1030233325 /nfs/dbraw/zinc/23/33/25/1030233325.db2.gz PIUCHCHUNIBYFG-ZDUSSCGKSA-N 2 0 301.434 3.594 20 0 DHADRP Clc1cccc2c1CC[C@@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001171012567 1030249567 /nfs/dbraw/zinc/24/95/67/1030249567.db2.gz GUTUEFUUBMKYOY-MRXNPFEDSA-N 2 0 306.881 3.663 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C1(Br)CC1 ZINC000925047782 1030255970 /nfs/dbraw/zinc/25/59/70/1030255970.db2.gz DQICUFWFYCSEIV-CQSZACIVSA-N 2 0 317.315 3.548 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171013895 1030259113 /nfs/dbraw/zinc/25/91/13/1030259113.db2.gz RSIUPNYCBHYAFP-KRWDZBQOSA-N 2 0 320.908 3.909 20 0 DHADRP Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925082240 1030267559 /nfs/dbraw/zinc/26/75/59/1030267559.db2.gz IRSCRDMLXDMSTG-IFXJQAMLSA-N 2 0 324.472 3.575 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000358017565 1030281619 /nfs/dbraw/zinc/28/16/19/1030281619.db2.gz HNDRBCZMZNRDDH-BBWFWOEESA-N 2 0 316.489 3.574 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000358049349 1030300197 /nfs/dbraw/zinc/30/01/97/1030300197.db2.gz RELZGRLFYXYFCS-WSTZPKSXSA-N 2 0 318.505 3.925 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000866467936 1030309218 /nfs/dbraw/zinc/30/92/18/1030309218.db2.gz VAHUKYPERJBNQQ-CQSZACIVSA-N 2 0 309.885 3.896 20 0 DHADRP C1C[C@H]2CC([NH2+]C3CCC([NH+]4CCCCC4)CC3)C[C@@H]1S2 ZINC000925229935 1030310358 /nfs/dbraw/zinc/31/03/58/1030310358.db2.gz RGHFVVMKSBUKPI-CSRJKQTDSA-N 2 0 308.535 3.800 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000866468067 1030311216 /nfs/dbraw/zinc/31/12/16/1030311216.db2.gz ZMGNRTDCEBQBIH-CQSZACIVSA-N 2 0 309.885 3.896 20 0 DHADRP C1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C2(CCCCC2)O1 ZINC000925229503 1030311920 /nfs/dbraw/zinc/31/19/20/1030311920.db2.gz NGPHCCZRZSZNLS-CTWPCTMYSA-N 2 0 320.521 3.865 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516669 1030342459 /nfs/dbraw/zinc/34/24/59/1030342459.db2.gz RYPGRWDUFRVHEH-LYGPFTKASA-N 2 0 304.478 3.917 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000866516548 1030342802 /nfs/dbraw/zinc/34/28/02/1030342802.db2.gz BUSSAVHGQJXKAA-HFCFLWKCSA-N 2 0 318.509 3.884 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc2cnccc2o1 ZINC000866518036 1030343000 /nfs/dbraw/zinc/34/30/00/1030343000.db2.gz RJYQHVIWHZLVEZ-UQHVZDHRSA-N 2 0 301.434 3.741 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000557923602 1030346324 /nfs/dbraw/zinc/34/63/24/1030346324.db2.gz RRDZXRVVWXDRPV-UHFFFAOYSA-N 2 0 322.468 3.778 20 0 DHADRP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000358155480 1030349793 /nfs/dbraw/zinc/34/97/93/1030349793.db2.gz SUFLLKOWOGOUDS-INIZCTEOSA-N 2 0 309.457 3.656 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000866534968 1030353818 /nfs/dbraw/zinc/35/38/18/1030353818.db2.gz LVFRXDUDBGHLJP-DZGCQCFKSA-N 2 0 304.400 3.595 20 0 DHADRP Cc1cc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc[nH+]1 ZINC000358163515 1030355882 /nfs/dbraw/zinc/35/58/82/1030355882.db2.gz QGYCPWURUSJAED-QGZVFWFLSA-N 2 0 309.457 3.798 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000866536394 1030357070 /nfs/dbraw/zinc/35/70/70/1030357070.db2.gz OZFSZFKEQAWBMU-QMHWVQJVSA-N 2 0 316.411 3.594 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCCCOCCc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925477630 1030371957 /nfs/dbraw/zinc/37/19/57/1030371957.db2.gz FQNNPZQZQWIDQL-MOPGFXCFSA-N 2 0 318.505 3.522 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000823747568 1030383444 /nfs/dbraw/zinc/38/34/44/1030383444.db2.gz FLWQSTOOKXKKRJ-MNZLEMJZSA-N 2 0 308.510 3.577 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCCOC1CCCCC1)c1ccccc1 ZINC000925516732 1030385030 /nfs/dbraw/zinc/38/50/30/1030385030.db2.gz FFMHLSZMDIAGFN-IBGZPJMESA-N 2 0 304.478 3.796 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925532007 1030389728 /nfs/dbraw/zinc/38/97/28/1030389728.db2.gz UIBRDVQONIJBDP-WOJBJXKFSA-N 2 0 323.484 3.535 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccccc1 ZINC000925531974 1030389803 /nfs/dbraw/zinc/38/98/03/1030389803.db2.gz SYKSEWOCZRAAOW-HXUWFJFHSA-N 2 0 319.452 3.847 20 0 DHADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171030137 1030390370 /nfs/dbraw/zinc/39/03/70/1030390370.db2.gz LIIWPJLCICOSJS-JYJNAYRXSA-N 2 0 306.881 3.660 20 0 DHADRP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925547466 1030399027 /nfs/dbraw/zinc/39/90/27/1030399027.db2.gz OFXGEXQULWVGRQ-OTWHNJEPSA-N 2 0 314.473 3.577 20 0 DHADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925556127 1030401238 /nfs/dbraw/zinc/40/12/38/1030401238.db2.gz KLTDBXSPADSEHX-MOPGFXCFSA-N 2 0 322.537 3.731 20 0 DHADRP CCN(C)c1ccccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925557324 1030401429 /nfs/dbraw/zinc/40/14/29/1030401429.db2.gz OGEBLOAKVXHIFF-LJQANCHMSA-N 2 0 311.473 3.713 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000925560192 1030403696 /nfs/dbraw/zinc/40/36/96/1030403696.db2.gz DRGYURPHOWFKCB-LJQANCHMSA-N 2 0 322.537 3.968 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C12CCC2 ZINC000925571744 1030408982 /nfs/dbraw/zinc/40/89/82/1030408982.db2.gz NIHZLFFVBGXTSI-HZPDHXFCSA-N 2 0 319.518 3.593 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccccc1 ZINC000925582499 1030411424 /nfs/dbraw/zinc/41/14/24/1030411424.db2.gz GCUXBWXSQJFRNG-OAHLLOKOSA-N 2 0 301.459 3.590 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000925640565 1030432683 /nfs/dbraw/zinc/43/26/83/1030432683.db2.gz SICQUNUJURFYBS-PCCBWWKXSA-N 2 0 324.468 3.977 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000925653892 1030439694 /nfs/dbraw/zinc/43/96/94/1030439694.db2.gz BWYVXMJCTQSZDZ-MSOLQXFVSA-N 2 0 310.526 3.680 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925662544 1030445283 /nfs/dbraw/zinc/44/52/83/1030445283.db2.gz JDCBFIKLJNYHJU-JOMSHVRNSA-N 2 0 304.865 3.705 20 0 DHADRP COCCC[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccc(Cl)cc1 ZINC000925664952 1030445307 /nfs/dbraw/zinc/44/53/07/1030445307.db2.gz HTIIJZWLZAZKAJ-NVXWUHKLSA-N 2 0 324.896 3.580 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000925664090 1030445753 /nfs/dbraw/zinc/44/57/53/1030445753.db2.gz YXPRACFQSZYZCD-LJQANCHMSA-N 2 0 307.441 3.780 20 0 DHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925678407 1030449981 /nfs/dbraw/zinc/44/99/81/1030449981.db2.gz DSTIHOKVVGZWJY-CGTJXYLNSA-N 2 0 316.514 3.634 20 0 DHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925697957 1030458725 /nfs/dbraw/zinc/45/87/25/1030458725.db2.gz QAYXEVHNSNLWKH-IBGZPJMESA-N 2 0 311.473 3.949 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1 ZINC000925709849 1030460375 /nfs/dbraw/zinc/46/03/75/1030460375.db2.gz OTWQKPVTAWBPNT-PCCBWWKXSA-N 2 0 324.468 3.629 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000925716321 1030463093 /nfs/dbraw/zinc/46/30/93/1030463093.db2.gz CXMAXBORWHLZOM-ZKHDCCDFSA-N 2 0 319.399 3.642 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)C[C@@H]([NH3+])C1 ZINC000925727557 1030467593 /nfs/dbraw/zinc/46/75/93/1030467593.db2.gz HRGHDJNJXDJWSN-QYZOEREBSA-N 2 0 315.505 3.679 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925733152 1030470354 /nfs/dbraw/zinc/47/03/54/1030470354.db2.gz SXHGGXMRUSEILX-WCFLWFBJSA-N 2 0 315.383 3.657 20 0 DHADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC(C)(C)[NH3+] ZINC000925736859 1030471868 /nfs/dbraw/zinc/47/18/68/1030471868.db2.gz DLUGDKJZUFPROQ-CQSZACIVSA-N 2 0 301.478 3.941 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])ccc1SC(F)F ZINC000925741264 1030474236 /nfs/dbraw/zinc/47/42/36/1030474236.db2.gz OEHCWMXEOPYUPO-SNVBAGLBSA-N 2 0 318.433 3.788 20 0 DHADRP Cc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)n1 ZINC000925767486 1030486865 /nfs/dbraw/zinc/48/68/65/1030486865.db2.gz VGMUCUKZVRVDFZ-SJORKVTESA-N 2 0 315.848 3.626 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2sccc21 ZINC000925777485 1030492259 /nfs/dbraw/zinc/49/22/59/1030492259.db2.gz PEKXBLGYNIRHGW-NTZNESFSSA-N 2 0 300.418 3.521 20 0 DHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925790130 1030497642 /nfs/dbraw/zinc/49/76/42/1030497642.db2.gz GFPBYUYBFVRBJG-GJYPPUQNSA-N 2 0 324.468 3.868 20 0 DHADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000925786969 1030498405 /nfs/dbraw/zinc/49/84/05/1030498405.db2.gz YHIZHFBHISCNKY-ZFWWWQNUSA-N 2 0 314.807 3.626 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000925787241 1030499137 /nfs/dbraw/zinc/49/91/37/1030499137.db2.gz ZKGCTELREWNFBI-UKRRQHHQSA-N 2 0 314.445 3.814 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000558255174 1030499840 /nfs/dbraw/zinc/49/98/40/1030499840.db2.gz NAZLGCUAVJOGCS-ZWOKBUDYSA-N 2 0 318.505 3.897 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OC(F)F ZINC000925797507 1030501187 /nfs/dbraw/zinc/50/11/87/1030501187.db2.gz HVZMSDBNVXYVID-UMVBOHGHSA-N 2 0 312.404 3.574 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000925802172 1030502383 /nfs/dbraw/zinc/50/23/83/1030502383.db2.gz YONBAOKZRYBSAK-XNRPHZJLSA-N 2 0 312.404 3.574 20 0 DHADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCc4c(Cl)cccc4C3)C2)CC1 ZINC001171050900 1030504182 /nfs/dbraw/zinc/50/41/82/1030504182.db2.gz UBNKDMHPHPXIDY-MRXNPFEDSA-N 2 0 318.892 3.615 20 0 DHADRP CCn1nc(C)c([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)c1C ZINC000925806453 1030505711 /nfs/dbraw/zinc/50/57/11/1030505711.db2.gz DMQGQMIISVAVDD-OAHLLOKOSA-N 2 0 320.525 3.730 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccccc1 ZINC000925873976 1030527210 /nfs/dbraw/zinc/52/72/10/1030527210.db2.gz OSNYECGIZULDTO-RTWAWAEBSA-N 2 0 324.468 3.760 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000925881659 1030531278 /nfs/dbraw/zinc/53/12/78/1030531278.db2.gz DFMRXWIMPYPDGB-NQYLQCIDSA-N 2 0 321.424 3.634 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(F)c1F ZINC000925886558 1030533431 /nfs/dbraw/zinc/53/34/31/1030533431.db2.gz HQFJRHVCOHUZRA-MUKKUYKPSA-N 2 0 316.395 3.675 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000925885945 1030535227 /nfs/dbraw/zinc/53/52/27/1030535227.db2.gz BUHKCOZZEIPJCQ-WSWWRLHASA-N 2 0 320.480 3.971 20 0 DHADRP CC(C)C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccn1 ZINC000925886571 1030535302 /nfs/dbraw/zinc/53/53/02/1030535302.db2.gz IFSJRIBPISWSDL-SESVDKBCSA-N 2 0 323.484 3.818 20 0 DHADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887897 1030536721 /nfs/dbraw/zinc/53/67/21/1030536721.db2.gz OQYCOYDPSKFVEM-BLIXFSHQSA-N 2 0 324.468 3.713 20 0 DHADRP C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cc(O)cc(F)c1 ZINC000926118685 1030622864 /nfs/dbraw/zinc/62/28/64/1030622864.db2.gz BCFHFTQUQPHOCN-SOUVJXGZSA-N 2 0 320.452 3.835 20 0 DHADRP C[C@@H](N[C@@H](C)c1cc(O)cc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118684 1030623447 /nfs/dbraw/zinc/62/34/47/1030623447.db2.gz BCFHFTQUQPHOCN-QLFBSQMISA-N 2 0 320.452 3.835 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000926159254 1030635141 /nfs/dbraw/zinc/63/51/41/1030635141.db2.gz BIFBEUHHYIETQL-KGLIPLIRSA-N 2 0 303.475 3.659 20 0 DHADRP CCC[N@@H+]1CC[C@@H](CN[C@H]2CCSc3ccc(F)cc32)C1 ZINC000246907790 1030662277 /nfs/dbraw/zinc/66/22/77/1030662277.db2.gz GEAHRKYGIISVGQ-BBRMVZONSA-N 2 0 308.466 3.684 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000122358715 1030668955 /nfs/dbraw/zinc/66/89/55/1030668955.db2.gz NMRSQAQUGCYYDO-HXUWFJFHSA-N 2 0 315.505 3.746 20 0 DHADRP CSCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000075685584 1030673304 /nfs/dbraw/zinc/67/33/04/1030673304.db2.gz XXKLKFUGYQXURM-UHFFFAOYSA-N 2 0 306.519 3.584 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926253704 1030675913 /nfs/dbraw/zinc/67/59/13/1030675913.db2.gz USAZTERRHZDGNE-SVPXJYONSA-N 2 0 316.489 3.585 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000926354621 1030708336 /nfs/dbraw/zinc/70/83/36/1030708336.db2.gz UZSRRYFSSBAGPR-GHTZIAJQSA-N 2 0 323.484 3.514 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359016476 1030732473 /nfs/dbraw/zinc/73/24/73/1030732473.db2.gz QYZFAHNSGJUDJC-IEBWSBKVSA-N 2 0 309.457 3.563 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc2ccccc21 ZINC000926450396 1030744652 /nfs/dbraw/zinc/74/46/52/1030744652.db2.gz MEZQQTRKOQTVAS-XJKSGUPXSA-N 2 0 321.424 3.780 20 0 DHADRP Clc1ccnc2c1CCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486246 1030759002 /nfs/dbraw/zinc/75/90/02/1030759002.db2.gz FLEVZCCRCLISPM-QGZVFWFLSA-N 2 0 321.896 3.968 20 0 DHADRP C[C@@H](F)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926486513 1030759711 /nfs/dbraw/zinc/75/97/11/1030759711.db2.gz SVFUVJQYAOFMOH-BPIHKTFHSA-N 2 0 304.453 3.910 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc(C[NH+](C)C)c1 ZINC000926518135 1030780790 /nfs/dbraw/zinc/78/07/90/1030780790.db2.gz DTGXKPMHIJSSMK-DOMZBBRYSA-N 2 0 315.288 3.983 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)COC2 ZINC001137028516 1030793680 /nfs/dbraw/zinc/79/36/80/1030793680.db2.gz QQPZVUSUJDHFCW-PMACEKPBSA-N 2 0 314.473 3.556 20 0 DHADRP Cc1ccc([C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccn2)cc1 ZINC000926559131 1030798092 /nfs/dbraw/zinc/79/80/92/1030798092.db2.gz MFWFDIPBSOJQCZ-NRFANRHFSA-N 2 0 323.484 3.943 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccn2)cc1 ZINC000926559135 1030798898 /nfs/dbraw/zinc/79/88/98/1030798898.db2.gz MFWFDIPBSOJQCZ-OAQYLSRUSA-N 2 0 323.484 3.943 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000926582941 1030808396 /nfs/dbraw/zinc/80/83/96/1030808396.db2.gz RHXLHFASAKPYRE-DOXZYTNZSA-N 2 0 304.478 3.602 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(-c2ccccc2)no1 ZINC000926605485 1030823359 /nfs/dbraw/zinc/82/33/59/1030823359.db2.gz CTBRSTUTPWDXDC-OOHWJJMZSA-N 2 0 313.445 3.865 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000658354963 1030868834 /nfs/dbraw/zinc/86/88/34/1030868834.db2.gz GOPLPLFKAUQHOR-ZDUSSCGKSA-N 2 0 321.534 3.787 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000161632980 1030929007 /nfs/dbraw/zinc/92/90/07/1030929007.db2.gz RRBOKKVWKANNSN-CVEARBPZSA-N 2 0 304.478 3.651 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000161580579 1030931522 /nfs/dbraw/zinc/93/15/22/1030931522.db2.gz YQXZRFADFILNRW-RHSMWYFYSA-N 2 0 306.881 3.692 20 0 DHADRP C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926795485 1030932163 /nfs/dbraw/zinc/93/21/63/1030932163.db2.gz QYDJTHVBYSMNLO-BEVDRBHNSA-N 2 0 316.489 3.604 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccnn1CC1CCC1 ZINC000926794200 1030932588 /nfs/dbraw/zinc/93/25/88/1030932588.db2.gz GRYWFDRMSUIHPV-LSJNQWAISA-N 2 0 318.509 3.597 20 0 DHADRP C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1cccc(C[NH+](C)C)c1 ZINC000926805047 1030936488 /nfs/dbraw/zinc/93/64/88/1030936488.db2.gz MUXHIZZREHXJGL-KKSFZXQISA-N 2 0 323.484 3.586 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C2 ZINC001171099632 1030945827 /nfs/dbraw/zinc/94/58/27/1030945827.db2.gz JSWCGPDRPQUBJY-GOSISDBHSA-N 2 0 306.881 3.663 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000347380980 1030981644 /nfs/dbraw/zinc/98/16/44/1030981644.db2.gz SQPFICUHWCKKJP-UHFFFAOYSA-N 2 0 322.456 3.634 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2OCC3)CC1 ZINC000926914973 1030985644 /nfs/dbraw/zinc/98/56/44/1030985644.db2.gz CPODKVPSNYJZKL-GSEOLPGOSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cccc(C[NH+](C)C)c1 ZINC000926920212 1030993854 /nfs/dbraw/zinc/99/38/54/1030993854.db2.gz PPUQUXZXZFFGIS-HOTGVXAUSA-N 2 0 324.468 3.922 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000926952309 1031013964 /nfs/dbraw/zinc/01/39/64/1031013964.db2.gz RZPJUJRRZQJECE-CORIIIEPSA-N 2 0 309.335 3.721 20 0 DHADRP Cc1c[nH+]ccc1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000359562721 1031031109 /nfs/dbraw/zinc/03/11/09/1031031109.db2.gz GYVPDMYFESOJJS-MRXNPFEDSA-N 2 0 323.362 3.546 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC[C@H]1[NH3+] ZINC000261644336 1031042612 /nfs/dbraw/zinc/04/26/12/1031042612.db2.gz ANSZNGRIYDNWBH-IFXJQAMLSA-N 2 0 314.404 3.787 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccncc1Cl ZINC000927036505 1031044320 /nfs/dbraw/zinc/04/43/20/1031044320.db2.gz IJLWGQOVWXBGSA-CBCUQQMYSA-N 2 0 307.869 3.793 20 0 DHADRP CCC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccnc1 ZINC000927037362 1031046846 /nfs/dbraw/zinc/04/68/46/1031046846.db2.gz JJVQGZILMNTBOI-XBMUEBEBSA-N 2 0 301.478 3.919 20 0 DHADRP COc1cccc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000927040165 1031048787 /nfs/dbraw/zinc/04/87/87/1031048787.db2.gz YTINYIPAEKEGLC-DMKPSLHHSA-N 2 0 302.462 3.753 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001171116750 1031052920 /nfs/dbraw/zinc/05/29/20/1031052920.db2.gz SBQXGLRYRMHIDC-IBGZPJMESA-N 2 0 318.892 3.758 20 0 DHADRP c1ccc([C@H]2Cc3ccccc3C[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000261879033 1031074701 /nfs/dbraw/zinc/07/47/01/1031074701.db2.gz YHYCVGUCNGBSGT-OAQYLSRUSA-N 2 0 306.453 3.786 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000262020363 1031090612 /nfs/dbraw/zinc/09/06/12/1031090612.db2.gz WDGFRBITIBAZIS-ZDUSSCGKSA-N 2 0 318.408 3.731 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000262020339 1031092399 /nfs/dbraw/zinc/09/23/99/1031092399.db2.gz WCPTWNVQDWHCIC-GOEBONIOSA-N 2 0 314.404 3.787 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC2(OC)CCC2)CC1)CC1CC1 ZINC000559147122 1031135349 /nfs/dbraw/zinc/13/53/49/1031135349.db2.gz VUMJXWTYEJXQNA-UHFFFAOYSA-N 2 0 322.537 3.780 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000359877693 1031177774 /nfs/dbraw/zinc/17/77/74/1031177774.db2.gz QEXIUKTWUWTDAG-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP CCC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(OC)cc1 ZINC000359939318 1031207363 /nfs/dbraw/zinc/20/73/63/1031207363.db2.gz BQVIISZSGFAGMJ-GBESFXJTSA-N 2 0 302.462 3.753 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000359945874 1031209925 /nfs/dbraw/zinc/20/99/25/1031209925.db2.gz XZLCLPUJZSJHFS-GVDBMIGSSA-N 2 0 304.478 3.574 20 0 DHADRP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCCCO1 ZINC000347401813 1031224013 /nfs/dbraw/zinc/22/40/13/1031224013.db2.gz SGWATBOOYXILFJ-OALUTQOASA-N 2 0 308.510 3.534 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCO2 ZINC000360030294 1031247999 /nfs/dbraw/zinc/24/79/99/1031247999.db2.gz VOQMOXFZRJVKTM-JENIJYKNSA-N 2 0 314.473 3.734 20 0 DHADRP Cc1c(O)cccc1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001144115420 1031252710 /nfs/dbraw/zinc/25/27/10/1031252710.db2.gz GFTKACRZSPTEOJ-GOSISDBHSA-N 2 0 302.462 3.541 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1C ZINC000536682277 1031381645 /nfs/dbraw/zinc/38/16/45/1031381645.db2.gz BZPHDBFTMYTRLY-MAUKXSAKSA-N 2 0 316.489 3.705 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1C ZINC000844923530 1031402226 /nfs/dbraw/zinc/40/22/26/1031402226.db2.gz IRLCKUJSQGPDBN-AWEZNQCLSA-N 2 0 316.420 3.761 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCOC1 ZINC000872019991 1031402606 /nfs/dbraw/zinc/40/26/06/1031402606.db2.gz BQQYEPNYBATZFU-WOJBJXKFSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CCO1 ZINC000872033260 1031417525 /nfs/dbraw/zinc/41/75/25/1031417525.db2.gz CERZORWKJFUMKR-MSOLQXFVSA-N 2 0 310.526 3.826 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)ccc1F ZINC000872034559 1031419701 /nfs/dbraw/zinc/41/97/01/1031419701.db2.gz KAGDCXXYCMBGQR-SJLPKXTDSA-N 2 0 322.468 3.571 20 0 DHADRP CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000360430053 1031424035 /nfs/dbraw/zinc/42/40/35/1031424035.db2.gz VTDOBSSJKHMIEE-LPHOPBHVSA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379650944 1031426672 /nfs/dbraw/zinc/42/66/72/1031426672.db2.gz SZWVRHNEUKLDMA-FUHWJXTLSA-N 2 0 306.519 3.771 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC(F)(F)F)CC1)CC1CC1 ZINC000536737379 1031428948 /nfs/dbraw/zinc/42/89/48/1031428948.db2.gz DDUSFAALJUEGFX-UHFFFAOYSA-N 2 0 306.416 3.773 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000536842190 1031451756 /nfs/dbraw/zinc/45/17/56/1031451756.db2.gz WQEWTNVHLAFPCG-QZTJIDSGSA-N 2 0 317.521 3.771 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000536847678 1031454783 /nfs/dbraw/zinc/45/47/83/1031454783.db2.gz VYGPIMMFTWSHKK-ZCNNSNEGSA-N 2 0 322.537 3.703 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000536875782 1031462661 /nfs/dbraw/zinc/46/26/61/1031462661.db2.gz KMSAWQTURNLAEW-OLZOCXBDSA-N 2 0 312.860 3.829 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000872069308 1031464713 /nfs/dbraw/zinc/46/47/13/1031464713.db2.gz OSUQALACHJSAHQ-QRQLOZEOSA-N 2 0 308.510 3.578 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCSc2ccncc2)CC1 ZINC000929298711 1031487378 /nfs/dbraw/zinc/48/73/78/1031487378.db2.gz XYXYIYGMWYIFLM-UHFFFAOYSA-N 2 0 321.534 3.618 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872090573 1031488757 /nfs/dbraw/zinc/48/87/57/1031488757.db2.gz CAYOGWYNZKUXRY-ROUUACIJSA-N 2 0 310.526 3.680 20 0 DHADRP CO[C@H]1CCC[C@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000537025911 1031489666 /nfs/dbraw/zinc/48/96/66/1031489666.db2.gz NHACWULBCFXOFN-OALUTQOASA-N 2 0 318.505 3.549 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc3cccnc32)[C@H](C)C1 ZINC000081095884 1031490066 /nfs/dbraw/zinc/49/00/66/1031490066.db2.gz LKISQANEAJTNTN-KDOFPFPSSA-N 2 0 315.436 3.536 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)C1 ZINC000872110316 1031500994 /nfs/dbraw/zinc/50/09/94/1031500994.db2.gz WZNJHWVTNCWSMU-XIHRTOKZSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000537092427 1031506064 /nfs/dbraw/zinc/50/60/64/1031506064.db2.gz XBRQYIWNXYMQBG-YAJHFMINSA-N 2 0 300.490 3.599 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423450785 1031529404 /nfs/dbraw/zinc/52/94/04/1031529404.db2.gz XNSYUCOVUXTFJB-FHLIZLRMSA-N 2 0 310.441 3.985 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1)C1CCCC1 ZINC000872156346 1031535003 /nfs/dbraw/zinc/53/50/03/1031535003.db2.gz ILCLNQZCTATIJM-ABHMUUKNSA-N 2 0 320.521 3.564 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCCc2ccncc2)C1)C1CCCC1 ZINC000872157170 1031535509 /nfs/dbraw/zinc/53/55/09/1031535509.db2.gz NHYSFGZCUDTRBR-AZUAARDMSA-N 2 0 315.505 3.634 20 0 DHADRP Cc1ncsc1CC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156035 1031535941 /nfs/dbraw/zinc/53/59/41/1031535941.db2.gz CYZRPLOOGOAJPH-NVXWUHKLSA-N 2 0 321.534 3.614 20 0 DHADRP C[C@H]([NH2+]CCCCCCC[NH3+])c1ccc(C(F)(F)F)nc1 ZINC000872155785 1031536229 /nfs/dbraw/zinc/53/62/29/1031536229.db2.gz ZIHSXELJIVNOJP-LBPRGKRZSA-N 2 0 303.372 3.660 20 0 DHADRP Cc1ccc(-c2cnc(C[N@H+](C)CCCCCC[NH3+])o2)cc1 ZINC000872155799 1031537088 /nfs/dbraw/zinc/53/70/88/1031537088.db2.gz WPALDCMOPGSPAC-UHFFFAOYSA-N 2 0 301.434 3.601 20 0 DHADRP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156011 1031538341 /nfs/dbraw/zinc/53/83/41/1031538341.db2.gz CMRAUTFDYOLULN-RDJZCZTQSA-N 2 0 319.493 3.918 20 0 DHADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158696 1031541744 /nfs/dbraw/zinc/54/17/44/1031541744.db2.gz XAHJRCFZDGJVKX-MDZRGWNJSA-N 2 0 301.478 3.762 20 0 DHADRP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1)C1CCCC1 ZINC000872158629 1031542074 /nfs/dbraw/zinc/54/20/74/1031542074.db2.gz WKIWJFWSVTYXTL-RDTXWAMCSA-N 2 0 317.477 3.672 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360838357 1031584510 /nfs/dbraw/zinc/58/45/10/1031584510.db2.gz UELSNGOVZIXTQE-MBOZVWFJSA-N 2 0 315.505 3.880 20 0 DHADRP Cc1nn(C(C)C)cc1CNCCC[N@H+](C)C1CCCCC1 ZINC000360973589 1031651472 /nfs/dbraw/zinc/65/14/72/1031651472.db2.gz DANVOSBQYLXVFV-UHFFFAOYSA-N 2 0 306.498 3.517 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C)C1 ZINC000930000395 1031671602 /nfs/dbraw/zinc/67/16/02/1031671602.db2.gz OUVNCVCRNOOJBI-NRSFXHEJSA-N 2 0 322.443 3.697 20 0 DHADRP CCc1onc(C)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930080793 1031693203 /nfs/dbraw/zinc/69/32/03/1031693203.db2.gz XVAKRIDDYJTFII-UHFFFAOYSA-N 2 0 319.493 3.633 20 0 DHADRP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)s1 ZINC000873205970 1031758429 /nfs/dbraw/zinc/75/84/29/1031758429.db2.gz YAQFQDMCGOPGTA-LLVKDONJSA-N 2 0 321.515 3.660 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2cccc(OC)c2)CC1 ZINC000361152018 1031758769 /nfs/dbraw/zinc/75/87/69/1031758769.db2.gz HVVVSMVHUPYSIT-IBGZPJMESA-N 2 0 304.478 3.858 20 0 DHADRP c1cc([C@H]2CCC[N@H+]2Cc2cc3c(s2)CC[NH2+]C3)cs1 ZINC000873202974 1031758831 /nfs/dbraw/zinc/75/88/31/1031758831.db2.gz KHFXHAPPPLMLBM-OAHLLOKOSA-N 2 0 304.484 3.792 20 0 DHADRP COc1ccc([C@@H](C)[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873202585 1031758917 /nfs/dbraw/zinc/75/89/17/1031758917.db2.gz UCIINFDJILDWLA-CYBMUJFWSA-N 2 0 316.470 3.595 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000873221078 1031763824 /nfs/dbraw/zinc/76/38/24/1031763824.db2.gz ZOIGFEOKUDFSQM-DMKPSLHHSA-N 2 0 316.489 3.699 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000873223688 1031764760 /nfs/dbraw/zinc/76/47/60/1031764760.db2.gz RDTKNBKZWNXJKE-NRFANRHFSA-N 2 0 323.484 3.946 20 0 DHADRP c1ccc2c(c1)cncc2C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232207 1031768469 /nfs/dbraw/zinc/76/84/69/1031768469.db2.gz BTJYTIUUFFSVIT-IBGZPJMESA-N 2 0 309.457 3.637 20 0 DHADRP COc1ccccc1/C=C\C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232863 1031768480 /nfs/dbraw/zinc/76/84/80/1031768480.db2.gz OVAJDVHMEMWCIX-QJSCKGPTSA-N 2 0 314.473 3.610 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000873249683 1031772605 /nfs/dbraw/zinc/77/26/05/1031772605.db2.gz MPYQUDKPDRSHCT-CAPXZKIUSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000873255485 1031773774 /nfs/dbraw/zinc/77/37/74/1031773774.db2.gz GDLANLYFKHHAIC-NXOUGTEYSA-N 2 0 318.823 3.895 20 0 DHADRP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873252907 1031774105 /nfs/dbraw/zinc/77/41/05/1031774105.db2.gz SHQNPLLOPGSDDK-ARKGTOAJSA-N 2 0 316.411 3.641 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000873255122 1031774488 /nfs/dbraw/zinc/77/44/88/1031774488.db2.gz DHYOAHOBILXKLA-KWBADKCTSA-N 2 0 315.244 3.534 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253662 1031775040 /nfs/dbraw/zinc/77/50/40/1031775040.db2.gz BSOHVDSCLQUXSI-HCKVZZMMSA-N 2 0 319.449 3.646 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000873258898 1031776783 /nfs/dbraw/zinc/77/67/83/1031776783.db2.gz XCJNSBOWYUTKHI-FSPWUOQZSA-N 2 0 300.833 3.756 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000873256796 1031776807 /nfs/dbraw/zinc/77/68/07/1031776807.db2.gz OKJPJIUWRDEOKZ-NXOUGTEYSA-N 2 0 318.823 3.895 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000873258133 1031777228 /nfs/dbraw/zinc/77/72/28/1031777228.db2.gz XEJUQNSCEONXCR-QEJZJMRPSA-N 2 0 313.470 3.514 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000873256795 1031777469 /nfs/dbraw/zinc/77/74/69/1031777469.db2.gz OKJPJIUWRDEOKZ-IGNZVWTISA-N 2 0 318.823 3.895 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1OCc1ccccc1 ZINC000873257474 1031777979 /nfs/dbraw/zinc/77/79/79/1031777979.db2.gz IAJCAQBKGSWEJC-SZMVWBNQSA-N 2 0 310.441 3.654 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)C1CC[NH2+]CC1 ZINC000873269436 1031782820 /nfs/dbraw/zinc/78/28/20/1031782820.db2.gz PYFYCNXAANQUBR-MLGOLLRUSA-N 2 0 308.853 3.531 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000873289637 1031789296 /nfs/dbraw/zinc/78/92/96/1031789296.db2.gz KBTAFGKMLALTOK-JXFKEZNVSA-N 2 0 324.468 3.649 20 0 DHADRP CC(C)C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873291351 1031790535 /nfs/dbraw/zinc/79/05/35/1031790535.db2.gz KBKFLAJVRISKHX-JKSUJKDBSA-N 2 0 322.518 3.584 20 0 DHADRP C[C@@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296653 1031791622 /nfs/dbraw/zinc/79/16/22/1031791622.db2.gz KTSLWTRJEHUUEZ-KMUNFCNLSA-N 2 0 321.346 3.896 20 0 DHADRP C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296654 1031791948 /nfs/dbraw/zinc/79/19/48/1031791948.db2.gz KTSLWTRJEHUUEZ-LKTVYLICSA-N 2 0 321.346 3.896 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CCC[C@H]2CC2(Cl)Cl)CC1 ZINC000846111391 1031862247 /nfs/dbraw/zinc/86/22/47/1031862247.db2.gz SOUMQJGHWYKNGD-LBPRGKRZSA-N 2 0 307.309 3.813 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000897971548 1031885304 /nfs/dbraw/zinc/88/53/04/1031885304.db2.gz ZMPSSYAJSKPDGN-HLIPFELVSA-N 2 0 315.505 3.645 20 0 DHADRP COc1ccc(CN2CCC([NH2+]C3CCC3)CC2)c2ccccc12 ZINC000897984780 1031909373 /nfs/dbraw/zinc/90/93/73/1031909373.db2.gz GPUPYEIJQQGJIL-UHFFFAOYSA-N 2 0 324.468 3.955 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361425103 1031918402 /nfs/dbraw/zinc/91/84/02/1031918402.db2.gz DBTDQNOBBAANMY-ZBFHGGJFSA-N 2 0 308.416 3.674 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000536875754 1031922294 /nfs/dbraw/zinc/92/22/94/1031922294.db2.gz KMSAWQTURNLAEW-CHWSQXEVSA-N 2 0 312.860 3.829 20 0 DHADRP [NH3+]CCCCCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000846224516 1031934705 /nfs/dbraw/zinc/93/47/05/1031934705.db2.gz ZBKRHRDMOZTZGW-CQSZACIVSA-N 2 0 306.347 3.928 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534501 1032056404 /nfs/dbraw/zinc/05/64/04/1032056404.db2.gz PYLNMGGJYFWOIC-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924687649 1033295598 /nfs/dbraw/zinc/29/55/98/1033295598.db2.gz XPPPVTBDVGETMU-FUHIMQAGSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924687650 1033295840 /nfs/dbraw/zinc/29/58/40/1033295840.db2.gz XPPPVTBDVGETMU-HLIPFELVSA-N 2 0 322.537 3.539 20 0 DHADRP CC1(C)CC([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC(C)(C)O1 ZINC001172653102 1033305791 /nfs/dbraw/zinc/30/57/91/1033305791.db2.gz AUAKOORTRSXMGW-UHFFFAOYSA-N 2 0 316.489 3.673 20 0 DHADRP Fc1ccc(CC2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000539305148 1033323538 /nfs/dbraw/zinc/32/35/38/1033323538.db2.gz FPYQFEKXIHIZQG-UHFFFAOYSA-N 2 0 316.464 3.612 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716146 1033325111 /nfs/dbraw/zinc/32/51/11/1033325111.db2.gz LSVKWTFCYISEES-SFHVURJKSA-N 2 0 320.908 3.907 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCS[C@@H](C)C3)CC2)C1 ZINC000927028920 1033340177 /nfs/dbraw/zinc/34/01/77/1033340177.db2.gz BSPZCYGUADQKCB-ATLSCFEFSA-N 2 0 310.551 3.903 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cs1 ZINC000643522811 1033344397 /nfs/dbraw/zinc/34/43/97/1033344397.db2.gz SQACQTNMCUSIRJ-SMDDNHRTSA-N 2 0 321.515 3.973 20 0 DHADRP CC(C)[N@H+]([C@H]1Cc2ccc(Cl)cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172713513 1033350374 /nfs/dbraw/zinc/35/03/74/1033350374.db2.gz VYAJJKDBBCRDRU-BZSNNMDCSA-N 2 0 306.881 3.788 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccc1N(C)C ZINC000477927384 1033371035 /nfs/dbraw/zinc/37/10/35/1033371035.db2.gz KKWXVUHHEFVWRQ-INIZCTEOSA-N 2 0 303.494 3.525 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C)CC2 ZINC001172840037 1033410636 /nfs/dbraw/zinc/41/06/36/1033410636.db2.gz YVEGHLAOJZJAAL-PWIZWCRZSA-N 2 0 300.490 3.561 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535663 1033472742 /nfs/dbraw/zinc/47/27/42/1033472742.db2.gz HNJBYAMKRCZAIU-CGTJXYLNSA-N 2 0 318.892 3.783 20 0 DHADRP CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931520 1033475258 /nfs/dbraw/zinc/47/52/58/1033475258.db2.gz VSFBQBRAARAJHF-UAFMIMERSA-N 2 0 316.489 3.716 20 0 DHADRP CCCOC1CCC([NH2+]CC2CC[NH+](C3CCC3)CC2)CC1 ZINC001173094413 1033523720 /nfs/dbraw/zinc/52/37/20/1033523720.db2.gz YDESUPRSEZKAGC-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP CCCOC1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001173094390 1033524175 /nfs/dbraw/zinc/52/41/75/1033524175.db2.gz JLWDZGODVDYJIJ-KKXNLOMOSA-N 2 0 318.505 3.821 20 0 DHADRP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877958640 1033530777 /nfs/dbraw/zinc/53/07/77/1033530777.db2.gz DFHUIZOPXKLTKF-AABGKKOBSA-N 2 0 320.521 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](CO)CC2CCCCC2)CC1 ZINC001173102580 1033539229 /nfs/dbraw/zinc/53/92/29/1033539229.db2.gz APTXTGIWPYADIL-XBMUEBEBSA-N 2 0 310.526 3.560 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC001173105896 1033543378 /nfs/dbraw/zinc/54/33/78/1033543378.db2.gz XWUNHHGOYZMNOX-GTPINHCMSA-N 2 0 304.478 3.999 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC001173106082 1033543549 /nfs/dbraw/zinc/54/35/49/1033543549.db2.gz GZALQVAFJFMYFH-UHFFFAOYSA-N 2 0 300.490 3.644 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2ccnc(F)c2)C2CC2)CC1 ZINC001173105758 1033543578 /nfs/dbraw/zinc/54/35/78/1033543578.db2.gz DKGPNDSIWXCIGX-FAFZWHIHSA-N 2 0 319.468 3.914 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCc3cccc(OC)c3C2)CC1 ZINC001173108556 1033544696 /nfs/dbraw/zinc/54/46/96/1033544696.db2.gz MVQZRSSCPVPJNY-UHFFFAOYSA-N 2 0 316.489 3.706 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001173108296 1033545522 /nfs/dbraw/zinc/54/55/22/1033545522.db2.gz ARTLLTBIJMEMMW-PJPHBNEVSA-N 2 0 300.437 3.617 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC001173108980 1033545828 /nfs/dbraw/zinc/54/58/28/1033545828.db2.gz UURFNLQOCMQPCQ-JTTJXQCZSA-N 2 0 302.462 3.622 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@@H]2CN2CCCC2)CC1 ZINC001173112630 1033547754 /nfs/dbraw/zinc/54/77/54/1033547754.db2.gz YLQKGKZYRHBEMT-SOAGJPPSSA-N 2 0 321.553 3.590 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)CCC(=O)c2cccs2)CC1 ZINC001173112609 1033548600 /nfs/dbraw/zinc/54/86/00/1033548600.db2.gz CXFJVIFABYCIPT-UHFFFAOYSA-N 2 0 322.518 3.906 20 0 DHADRP CC[NH+](CC)C1CCC([N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001173112456 1033548933 /nfs/dbraw/zinc/54/89/33/1033548933.db2.gz BGQMDRZCLPETPX-UHFFFAOYSA-N 2 0 318.461 3.500 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878048726 1033567222 /nfs/dbraw/zinc/56/72/22/1033567222.db2.gz WXFFXRFRAPXDJJ-INIZCTEOSA-N 2 0 302.453 3.864 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000153514735 1033580773 /nfs/dbraw/zinc/58/07/73/1033580773.db2.gz ZLRCXPKTCPDPAQ-LPHOPBHVSA-N 2 0 316.489 3.634 20 0 DHADRP C[NH+](C)CCCCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173195316 1033586312 /nfs/dbraw/zinc/58/63/12/1033586312.db2.gz NCVAOUAECUHTIJ-UHFFFAOYSA-N 2 0 304.478 3.698 20 0 DHADRP C[N@H+](C1CCC([NH3+])CC1)C1CCC(Oc2ccccc2)CC1 ZINC001173196023 1033587102 /nfs/dbraw/zinc/58/71/02/1033587102.db2.gz GNXXEWQODLWYBZ-UHFFFAOYSA-N 2 0 302.462 3.578 20 0 DHADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878119881 1033587691 /nfs/dbraw/zinc/58/76/91/1033587691.db2.gz CROCIBQWFUCPHN-HZPDHXFCSA-N 2 0 300.437 3.762 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878167533 1033608687 /nfs/dbraw/zinc/60/86/87/1033608687.db2.gz VXTMERVBFUESMM-SXLOBPIMSA-N 2 0 316.489 3.570 20 0 DHADRP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001173257211 1033628421 /nfs/dbraw/zinc/62/84/21/1033628421.db2.gz RLEZBUNZEQMSMQ-GUDVDZBRSA-N 2 0 310.526 3.824 20 0 DHADRP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(C)(C)O1 ZINC000878287127 1033648231 /nfs/dbraw/zinc/64/82/31/1033648231.db2.gz XCHWQLUZFUXTCY-JZXOWHBKSA-N 2 0 320.521 3.529 20 0 DHADRP CCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001173292864 1033650978 /nfs/dbraw/zinc/65/09/78/1033650978.db2.gz RXRQMDVNVJSBFI-WMZOPIPTSA-N 2 0 306.519 3.630 20 0 DHADRP CCSC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001173294958 1033653515 /nfs/dbraw/zinc/65/35/15/1033653515.db2.gz JZRPHDNTVMYIAG-DSLXNQLJSA-N 2 0 318.530 3.913 20 0 DHADRP CC[C@H]1CC[C@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)C1 ZINC001173277956 1033668523 /nfs/dbraw/zinc/66/85/23/1033668523.db2.gz WDALEPAQTVWQML-KJMDXERQSA-N 2 0 320.461 3.701 20 0 DHADRP CC[N@@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3c2cccc3F)C1 ZINC001173369399 1033719361 /nfs/dbraw/zinc/71/93/61/1033719361.db2.gz VOKZDNZOWPRYLV-HNNXBMFYSA-N 2 0 315.436 3.514 20 0 DHADRP CC[N@@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cc(C)ccc32)C1 ZINC001173367362 1033720042 /nfs/dbraw/zinc/72/00/42/1033720042.db2.gz GTCGPGILOHBTGI-KRWDZBQOSA-N 2 0 311.473 3.683 20 0 DHADRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC[C@@H]1F ZINC001206199077 1033723114 /nfs/dbraw/zinc/72/31/14/1033723114.db2.gz NQPXAHZGZXETNU-VQTJNVASSA-N 2 0 312.432 3.539 20 0 DHADRP CCC[N@@H+]1CC[C@@H](CN[C@@H](c2cc(F)ccc2F)C(C)C)C1 ZINC000479341903 1033730217 /nfs/dbraw/zinc/73/02/17/1033730217.db2.gz GNRIXODELMYONK-KBXCAEBGSA-N 2 0 310.432 3.983 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173480064 1033740052 /nfs/dbraw/zinc/74/00/52/1033740052.db2.gz QFLUCROHAULXTQ-WOVMCDHWSA-N 2 0 322.443 3.675 20 0 DHADRP C[C@H](C[NH3+])C[N@H+](C)[C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553581 1033769203 /nfs/dbraw/zinc/76/92/03/1033769203.db2.gz ZVGZILRUQQLIFJ-VXGBXAGGSA-N 2 0 303.277 3.841 20 0 DHADRP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(C)cc1 ZINC000667503866 1033779322 /nfs/dbraw/zinc/77/93/22/1033779322.db2.gz ZWVJTXHOCMOSPZ-UHFFFAOYSA-N 2 0 306.413 3.598 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173687425 1033830366 /nfs/dbraw/zinc/83/03/66/1033830366.db2.gz MKZLLEDOTCNNAB-FQVISZRSSA-N 2 0 312.501 3.745 20 0 DHADRP COc1ccc(C[N@H+](CCC2CC[NH2+]CC2)[C@@H](C)C2CC2)cc1 ZINC000479687958 1033858093 /nfs/dbraw/zinc/85/80/93/1033858093.db2.gz NTNNAFOXIRLSMZ-INIZCTEOSA-N 2 0 316.489 3.685 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC000479763458 1033893262 /nfs/dbraw/zinc/89/32/62/1033893262.db2.gz BCONQTKFMSYSBF-PKOBYXMFSA-N 2 0 308.510 3.604 20 0 DHADRP COc1cc2c(NC3CC[NH+](C(C)C)CC3)cc[nH+]c2cc1F ZINC000479890726 1033947298 /nfs/dbraw/zinc/94/72/98/1033947298.db2.gz OIBGJBWBIAPACV-UHFFFAOYSA-N 2 0 317.408 3.667 20 0 DHADRP CC1([NH+]2CCCC2)CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000879203808 1033951291 /nfs/dbraw/zinc/95/12/91/1033951291.db2.gz WPRDKJHXFUAPCI-CYBMUJFWSA-N 2 0 305.293 3.521 20 0 DHADRP CC1(C)C[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000879203188 1033951858 /nfs/dbraw/zinc/95/18/58/1033951858.db2.gz JGIUZJYBFKWIES-INIZCTEOSA-N 2 0 308.510 3.530 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)CN(C)C ZINC000554085726 1033958502 /nfs/dbraw/zinc/95/85/02/1033958502.db2.gz PGSZTZNOPYLBGJ-STQMWFEESA-N 2 0 302.384 3.566 20 0 DHADRP C[C@H]1C[N@H+](CCc2ccc(Cl)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205985388 1034010559 /nfs/dbraw/zinc/01/05/59/1034010559.db2.gz XXUFLZOEJGPIEP-GXTWGEPZSA-N 2 0 315.288 3.843 20 0 DHADRP COc1ccc2cc(C[NH2+][C@H](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000119439563 1034079539 /nfs/dbraw/zinc/07/95/39/1034079539.db2.gz RBSXFDVFXNRGAK-OAHLLOKOSA-N 2 0 312.457 3.668 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863546579 1034127530 /nfs/dbraw/zinc/12/75/30/1034127530.db2.gz GLXQOPXJIQFIHY-KPZWWZAWSA-N 2 0 315.848 3.840 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)[C@H](C)C1 ZINC000554390140 1034130364 /nfs/dbraw/zinc/13/03/64/1034130364.db2.gz FISDURYVHKSDOY-OQIJWPOYSA-N 2 0 316.489 3.552 20 0 DHADRP C[NH2+]C[C@H](O)c1cccc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)c1 ZINC000863690027 1034176030 /nfs/dbraw/zinc/17/60/30/1034176030.db2.gz IRJIHRURYVSOHG-IERDGZPVSA-N 2 0 324.468 3.591 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480355509 1034208414 /nfs/dbraw/zinc/20/84/14/1034208414.db2.gz JTKQVDZGAZZARE-UHFFFAOYSA-N 2 0 320.383 3.656 20 0 DHADRP COCCC[C@H](C)[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000178488938 1034243787 /nfs/dbraw/zinc/24/37/87/1034243787.db2.gz NXDIIFIBAKGCCO-JTUYAUNFSA-N 2 0 318.505 3.548 20 0 DHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168363049 1034266367 /nfs/dbraw/zinc/26/63/67/1034266367.db2.gz RSPIGPGWECPYCC-IBGZPJMESA-N 2 0 318.892 3.661 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(Cl)nc1 ZINC000179100266 1034282678 /nfs/dbraw/zinc/28/26/78/1034282678.db2.gz TVXBUDFYVFQLAM-ZDUSSCGKSA-N 2 0 303.837 3.647 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Cl)nc1 ZINC000179126905 1034286383 /nfs/dbraw/zinc/28/63/83/1034286383.db2.gz WLBZGXONNQFKBW-GFCCVEGCSA-N 2 0 321.827 3.787 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC[N@@H+]1C ZINC000179554322 1034313544 /nfs/dbraw/zinc/31/35/44/1034313544.db2.gz QQSKVVVBCHNRFE-GXTWGEPZSA-N 2 0 310.844 3.583 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000480608818 1034340788 /nfs/dbraw/zinc/34/07/88/1034340788.db2.gz GKLDFTMZYJAGQM-FXAWDEMLSA-N 2 0 318.505 3.822 20 0 DHADRP CC[NH+](CC)CCC[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000554819777 1034341495 /nfs/dbraw/zinc/34/14/95/1034341495.db2.gz DDPWDRJWYOPCSI-UHFFFAOYSA-N 2 0 304.478 3.607 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000480606443 1034350677 /nfs/dbraw/zinc/35/06/77/1034350677.db2.gz ANQKEUMSTOVVNG-HOTGVXAUSA-N 2 0 322.468 3.997 20 0 DHADRP COc1ccccc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000480617283 1034352407 /nfs/dbraw/zinc/35/24/07/1034352407.db2.gz VICOEXZFZCABMW-KRWDZBQOSA-N 2 0 304.478 3.858 20 0 DHADRP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000183199061 1034360044 /nfs/dbraw/zinc/36/00/44/1034360044.db2.gz CTNBNBBTKZEFGK-XYJFISCASA-N 2 0 316.489 3.999 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(C2CCCCC2)s1 ZINC000554889097 1034392492 /nfs/dbraw/zinc/39/24/92/1034392492.db2.gz GCUVXHARBYDTIL-PBHICJAKSA-N 2 0 321.534 3.963 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480693635 1034395507 /nfs/dbraw/zinc/39/55/07/1034395507.db2.gz DFHYGPMSFAEWFR-XWTMOSNGSA-N 2 0 318.505 3.678 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000480732687 1034419964 /nfs/dbraw/zinc/41/99/64/1034419964.db2.gz ZQYAXFKCJAIEQY-ZJPYXAASSA-N 2 0 318.505 3.678 20 0 DHADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000480786387 1034452206 /nfs/dbraw/zinc/45/22/06/1034452206.db2.gz MLQUJTPPBATBHD-ZWKOTPCHSA-N 2 0 308.510 3.532 20 0 DHADRP CCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000185869685 1034578886 /nfs/dbraw/zinc/57/88/86/1034578886.db2.gz UWORTALBOCYMSB-HXUWFJFHSA-N 2 0 324.472 3.824 20 0 DHADRP CCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000185869666 1034579170 /nfs/dbraw/zinc/57/91/70/1034579170.db2.gz UWORTALBOCYMSB-FQEVSTJZSA-N 2 0 324.472 3.824 20 0 DHADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365904 1034828277 /nfs/dbraw/zinc/82/82/77/1034828277.db2.gz ZZZWQYXNCAJVHJ-LJQANCHMSA-N 2 0 302.437 3.667 20 0 DHADRP Clc1ccsc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000193201191 1034835884 /nfs/dbraw/zinc/83/58/84/1034835884.db2.gz CLAJZBHNGWXJHV-UHFFFAOYSA-N 2 0 321.877 3.803 20 0 DHADRP Clc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157350734 1034863724 /nfs/dbraw/zinc/86/37/24/1034863724.db2.gz CBAYTMIUNPYFSM-XYQBIQKZSA-N 2 0 304.865 3.802 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802093 1034910673 /nfs/dbraw/zinc/91/06/73/1034910673.db2.gz KWFOAPJWUAERGL-CZUORRHYSA-N 2 0 313.272 3.910 20 0 DHADRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(CCC3)O2)CC1 ZINC001175351904 1034944341 /nfs/dbraw/zinc/94/43/41/1034944341.db2.gz MVSZAAOMPODHJO-RBUKOAKNSA-N 2 0 320.521 3.675 20 0 DHADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CCC3)O2)CC1 ZINC001175351898 1034946047 /nfs/dbraw/zinc/94/60/47/1034946047.db2.gz MVSZAAOMPODHJO-MOPGFXCFSA-N 2 0 320.521 3.675 20 0 DHADRP C[C@H]([NH2+]CCc1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000645853629 1035014304 /nfs/dbraw/zinc/01/43/04/1035014304.db2.gz AHALVPXPGKLNHH-GJZGRUSLSA-N 2 0 322.443 3.750 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000481954357 1035036747 /nfs/dbraw/zinc/03/67/47/1035036747.db2.gz PMIYMGKHRNEYLS-AWEZNQCLSA-N 2 0 301.261 3.912 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@@H](C)C1 ZINC000482003808 1035043589 /nfs/dbraw/zinc/04/35/89/1035043589.db2.gz VSFSBMGZQPECAS-OXJNMPFZSA-N 2 0 313.489 3.947 20 0 DHADRP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000629534225 1035045607 /nfs/dbraw/zinc/04/56/07/1035045607.db2.gz QKHNHNPYARJGEL-YLJYHZDGSA-N 2 0 309.457 3.507 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1coc(-c2ccccc2)n1 ZINC000567889896 1035064198 /nfs/dbraw/zinc/06/41/98/1035064198.db2.gz IUGJAOYBEMZMNU-DOTOQJQBSA-N 2 0 313.445 3.742 20 0 DHADRP CC(C)=CCC[C@H](C)CC[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000482235768 1035070248 /nfs/dbraw/zinc/07/02/48/1035070248.db2.gz FDTNQCLJZQNKHQ-SFHVURJKSA-N 2 0 310.526 3.584 20 0 DHADRP C[NH+]1CCC(C[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482252070 1035074526 /nfs/dbraw/zinc/07/45/26/1035074526.db2.gz IFRQTDVBQXIEAU-UHFFFAOYSA-N 2 0 315.288 3.857 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000482330908 1035085429 /nfs/dbraw/zinc/08/54/29/1035085429.db2.gz JDVPLIUTJIEGQF-PJIJBLCYSA-N 2 0 313.489 3.911 20 0 DHADRP Cc1cccc(C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C2CC2)c1 ZINC000482343646 1035086988 /nfs/dbraw/zinc/08/69/88/1035086988.db2.gz LRWIADRQZJWWLW-HXUWFJFHSA-N 2 0 300.490 3.638 20 0 DHADRP c1ccc(CC[C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000482685483 1035161734 /nfs/dbraw/zinc/16/17/34/1035161734.db2.gz XRHNGBXFNHEHNL-HXUWFJFHSA-N 2 0 300.490 3.960 20 0 DHADRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194472395 1035164085 /nfs/dbraw/zinc/16/40/85/1035164085.db2.gz ZQJJZDVZYIZIGK-LBPRGKRZSA-N 2 0 309.866 3.590 20 0 DHADRP CCC[NH+]1CCC(N(C)Cc2ccc(Cl)cc2OC)CC1 ZINC000482777534 1035177061 /nfs/dbraw/zinc/17/70/61/1035177061.db2.gz HGGVSPIDFRTRPZ-UHFFFAOYSA-N 2 0 310.869 3.655 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000483208651 1035241782 /nfs/dbraw/zinc/24/17/82/1035241782.db2.gz ZBAUBTDVAHICRJ-WMZOPIPTSA-N 2 0 304.478 3.639 20 0 DHADRP COC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000483299644 1035254355 /nfs/dbraw/zinc/25/43/55/1035254355.db2.gz SQGVPEPVWZXQKE-GOSISDBHSA-N 2 0 308.510 3.534 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000162568412 1035257251 /nfs/dbraw/zinc/25/72/51/1035257251.db2.gz TUKIHPZCHQLFGP-LPHOPBHVSA-N 2 0 318.505 3.653 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483424462 1035268529 /nfs/dbraw/zinc/26/85/29/1035268529.db2.gz DWLXNGIXAKFSRO-RTBURBONSA-N 2 0 304.453 3.664 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000483730132 1035293778 /nfs/dbraw/zinc/29/37/78/1035293778.db2.gz NNKQCJLPFBYNCZ-HXUWFJFHSA-N 2 0 300.490 3.719 20 0 DHADRP Fc1ccccc1CC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001168368260 1035298329 /nfs/dbraw/zinc/29/83/29/1035298329.db2.gz DYUPAPKKUOBCHR-UHFFFAOYSA-N 2 0 316.464 3.755 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2ccccc2)CCCC1 ZINC000483833664 1035303982 /nfs/dbraw/zinc/30/39/82/1035303982.db2.gz JNCIAQSNAZRUCR-MSOLQXFVSA-N 2 0 312.501 3.961 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2ccccc2)CCCC1 ZINC000483833666 1035304726 /nfs/dbraw/zinc/30/47/26/1035304726.db2.gz JNCIAQSNAZRUCR-ROUUACIJSA-N 2 0 312.501 3.961 20 0 DHADRP CCC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000484307613 1035329320 /nfs/dbraw/zinc/32/93/20/1035329320.db2.gz LJWKUOLQOOVSHN-MRXNPFEDSA-N 2 0 304.478 3.858 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000484468684 1035337300 /nfs/dbraw/zinc/33/73/00/1035337300.db2.gz CIFDEWMDZZECSS-CGTJXYLNSA-N 2 0 304.478 3.999 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC1(C)C ZINC001177117320 1035348140 /nfs/dbraw/zinc/34/81/40/1035348140.db2.gz QPHSJRMGBSGRSY-KRWDZBQOSA-N 2 0 318.505 3.825 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[C@H](C)SC1 ZINC001177127760 1035349203 /nfs/dbraw/zinc/34/92/03/1035349203.db2.gz MPODYQPLJOGWBM-YJBOKZPZSA-N 2 0 306.519 3.902 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)CC2CCCCC2)CC1 ZINC001177244625 1035359441 /nfs/dbraw/zinc/35/94/41/1035359441.db2.gz DGKRGNPHJZAIKW-IBGZPJMESA-N 2 0 323.569 3.600 20 0 DHADRP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC001177334671 1035364995 /nfs/dbraw/zinc/36/49/95/1035364995.db2.gz VZZYOUYTKHESQR-UHFFFAOYSA-N 2 0 312.432 3.943 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001206303143 1035371690 /nfs/dbraw/zinc/37/16/90/1035371690.db2.gz BRUQATNEAVLVRL-KRWDZBQOSA-N 2 0 305.853 3.772 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001206304443 1035373500 /nfs/dbraw/zinc/37/35/00/1035373500.db2.gz KUFDUTNUJKDSNJ-OAHLLOKOSA-N 2 0 318.358 3.795 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC001206305444 1035378945 /nfs/dbraw/zinc/37/89/45/1035378945.db2.gz ZMAWOYCZLBLPRJ-OAHLLOKOSA-N 2 0 301.261 3.944 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)s2)[C@H](C)C1 ZINC001177844465 1035395333 /nfs/dbraw/zinc/39/53/33/1035395333.db2.gz QZPSBOCMEKAMDA-QAPCUYQASA-N 2 0 324.534 3.537 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000904360903 1035404165 /nfs/dbraw/zinc/40/41/65/1035404165.db2.gz RSVHHYKTYNVQKL-JEBQAFNWSA-N 2 0 300.833 3.756 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C(F)F)c(F)c1)CC[NH2+]CC2 ZINC000904374585 1035407203 /nfs/dbraw/zinc/40/72/03/1035407203.db2.gz UTKSPOADJQGAEA-LBPRGKRZSA-N 2 0 312.379 3.727 20 0 DHADRP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135166 1035415134 /nfs/dbraw/zinc/41/51/34/1035415134.db2.gz HUJDSJOGAXURGY-PKOBYXMFSA-N 2 0 310.441 3.769 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000195134305 1035415365 /nfs/dbraw/zinc/41/53/65/1035415365.db2.gz RVUPXNCLVIXSRY-FUHWJXTLSA-N 2 0 312.432 3.998 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195137781 1035416385 /nfs/dbraw/zinc/41/63/85/1035416385.db2.gz LXZOBRMFHFXMAG-LAUBAEHRSA-N 2 0 324.443 3.925 20 0 DHADRP CC(C)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC001178762509 1035446295 /nfs/dbraw/zinc/44/62/95/1035446295.db2.gz NEAFHXOKUCPBCD-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001204234707 1035459678 /nfs/dbraw/zinc/45/96/78/1035459678.db2.gz WIEOAJDMDZBEFO-UHFFFAOYSA-N 2 0 308.416 3.519 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205617743 1035536099 /nfs/dbraw/zinc/53/60/99/1035536099.db2.gz NBBDUCRTCUYHBH-DGCLKSJQSA-N 2 0 318.358 3.651 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC001179909122 1035547630 /nfs/dbraw/zinc/54/76/30/1035547630.db2.gz DUVREWGCFXFZIS-RDTXWAMCSA-N 2 0 310.432 3.560 20 0 DHADRP C[C@@H](c1nccc2ccccc21)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001180082993 1035590003 /nfs/dbraw/zinc/59/00/03/1035590003.db2.gz VKPXVWCOIIFBNJ-WMZOPIPTSA-N 2 0 323.484 3.960 20 0 DHADRP C[C@@H](NCc1cc(F)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193250953 1035593435 /nfs/dbraw/zinc/59/34/35/1035593435.db2.gz SNQAAXLSEVUPRA-ZIAGYGMSSA-N 2 0 308.416 3.707 20 0 DHADRP C[C@H]1CC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)C1 ZINC000668486873 1035665942 /nfs/dbraw/zinc/66/59/42/1035665942.db2.gz SEHYXSGMDCWYAR-HZPDHXFCSA-N 2 0 301.478 3.712 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(CC2CCC2)CC1 ZINC001168466824 1035673946 /nfs/dbraw/zinc/67/39/46/1035673946.db2.gz FYNPUSQBVIURIM-OAHLLOKOSA-N 2 0 304.453 3.740 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(C)C)[C@@H](C)C1 ZINC001193648372 1035692011 /nfs/dbraw/zinc/69/20/11/1035692011.db2.gz FQTQSOGYCSGFOI-FHWLQOOXSA-N 2 0 324.553 3.929 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C12CCCCC2 ZINC000539497461 1035756234 /nfs/dbraw/zinc/75/62/34/1035756234.db2.gz XLCYPFDXRHFICT-CEXWTWQISA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H](CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2)[NH+]1CCCCC1 ZINC001180811552 1035767510 /nfs/dbraw/zinc/76/75/10/1035767510.db2.gz SEGRRZXUKHSCFO-FGTMMUONSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168467596 1035796605 /nfs/dbraw/zinc/79/66/05/1035796605.db2.gz JASVGRJNTFLHCA-FNHZYXHNSA-N 2 0 304.453 3.881 20 0 DHADRP CC(C)C(C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C(C)C ZINC001180995179 1035811287 /nfs/dbraw/zinc/81/12/87/1035811287.db2.gz JNOJDXOLTMPKLQ-UHFFFAOYSA-N 2 0 310.526 3.538 20 0 DHADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001194133004 1035840485 /nfs/dbraw/zinc/84/04/85/1035840485.db2.gz OFFKAFROYSQKOH-ZCNNSNEGSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@H](CC[NH2+]C1CC(OCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000494749501 1035862730 /nfs/dbraw/zinc/86/27/30/1035862730.db2.gz QEPCVQXBSUFDNG-QHGAOEGBSA-N 2 0 316.489 3.588 20 0 DHADRP Cc1oc2ccccc2c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000539849532 1035901421 /nfs/dbraw/zinc/90/14/21/1035901421.db2.gz CJZKBVVOSKUKRS-KRWDZBQOSA-N 2 0 312.457 3.905 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539851440 1035903777 /nfs/dbraw/zinc/90/37/77/1035903777.db2.gz VCHQSPMLKXKWHW-LJQANCHMSA-N 2 0 300.490 3.974 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000540174172 1035996074 /nfs/dbraw/zinc/99/60/74/1035996074.db2.gz VJCNPVIOJKFXFL-QFBILLFUSA-N 2 0 318.505 3.683 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCc2ccncc2)CC1)CC(C)C ZINC000540198386 1036005943 /nfs/dbraw/zinc/00/59/43/1036005943.db2.gz ZTPGJEJWKPIJAV-UHFFFAOYSA-N 2 0 317.521 3.704 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000906589725 1036011387 /nfs/dbraw/zinc/01/13/87/1036011387.db2.gz XCNJWNTUMXHIJH-YDGZCJQPSA-N 2 0 316.464 3.924 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000540301577 1036034901 /nfs/dbraw/zinc/03/49/01/1036034901.db2.gz LOBWLLXZNSREEB-LJQANCHMSA-N 2 0 304.453 3.988 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168472933 1036100377 /nfs/dbraw/zinc/10/03/77/1036100377.db2.gz AHHBEYYFVQQWQB-LZQZEXGQSA-N 2 0 306.469 3.999 20 0 DHADRP Cc1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000929840676 1036192240 /nfs/dbraw/zinc/19/22/40/1036192240.db2.gz GUPNHZNUWVUIJF-HNNXBMFYSA-N 2 0 318.509 3.503 20 0 DHADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC[C@H](C)CCC=C(C)C)CC1 ZINC001182424481 1036276186 /nfs/dbraw/zinc/27/61/86/1036276186.db2.gz UMUKIJPODGORLW-LJQANCHMSA-N 2 0 323.569 3.765 20 0 DHADRP CC(C)c1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001195534227 1036278808 /nfs/dbraw/zinc/27/88/08/1036278808.db2.gz AUGUWJKMDHXRGX-UHFFFAOYSA-N 2 0 309.457 3.917 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486696761 1036363439 /nfs/dbraw/zinc/36/34/39/1036363439.db2.gz SJBUYKLZGOIDFL-OAHLLOKOSA-N 2 0 317.452 3.909 20 0 DHADRP CCCCOc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542065 1036460730 /nfs/dbraw/zinc/46/07/30/1036460730.db2.gz QNMXOVLZUKAIKN-IBGZPJMESA-N 2 0 304.478 3.816 20 0 DHADRP C[C@H]1C[N@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC001205130893 1036482160 /nfs/dbraw/zinc/48/21/60/1036482160.db2.gz NWNNCVMKILSPOG-QWHCGFSZSA-N 2 0 312.910 3.737 20 0 DHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000486982569 1036499550 /nfs/dbraw/zinc/49/95/50/1036499550.db2.gz BTAPBNRXXWVUBX-KRWDZBQOSA-N 2 0 318.530 3.761 20 0 DHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2CCSC2)CC1 ZINC000486982570 1036499828 /nfs/dbraw/zinc/49/98/28/1036499828.db2.gz BTAPBNRXXWVUBX-QGZVFWFLSA-N 2 0 318.530 3.761 20 0 DHADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001183065459 1036516815 /nfs/dbraw/zinc/51/68/15/1036516815.db2.gz LOQNMYLOSUOGHU-CRAIPNDOSA-N 2 0 308.897 3.935 20 0 DHADRP C[C@@]1([NH3+])CCC[N@H+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001205255741 1036521455 /nfs/dbraw/zinc/52/14/55/1036521455.db2.gz KLXVOFHDCZJIAU-MRXNPFEDSA-N 2 0 314.395 3.841 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001183146237 1036526923 /nfs/dbraw/zinc/52/69/23/1036526923.db2.gz ROYCQAWKOCNUDU-PMACEKPBSA-N 2 0 300.490 3.890 20 0 DHADRP CCCCCOc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205265315 1036572034 /nfs/dbraw/zinc/57/20/34/1036572034.db2.gz PTLXLARCBZNFJT-LJQANCHMSA-N 2 0 304.478 3.959 20 0 DHADRP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495410167 1036616970 /nfs/dbraw/zinc/61/69/70/1036616970.db2.gz UDTJSKXSTMTKKD-IHPCNDPISA-N 2 0 318.505 3.548 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000495421059 1036635893 /nfs/dbraw/zinc/63/58/93/1036635893.db2.gz NMEWJWXDJHICAG-NJAFHUGGSA-N 2 0 322.537 3.965 20 0 DHADRP CCCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495444277 1036645792 /nfs/dbraw/zinc/64/57/92/1036645792.db2.gz IJGCYDZXWJTWCF-YSIASYRMSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@H]([NH2+]C/C=C/c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487566657 1036684935 /nfs/dbraw/zinc/68/49/35/1036684935.db2.gz WQPCUSJSIDOXCZ-QSSYGXSSSA-N 2 0 321.468 3.595 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001184134579 1036745689 /nfs/dbraw/zinc/74/56/89/1036745689.db2.gz FLDQPZCMFJRQIM-YJBOKZPZSA-N 2 0 318.530 3.661 20 0 DHADRP Clc1ccc(CCC[NH+]2CC3(C2)CC[NH2+]CC3)cc1Cl ZINC001235089712 1036760486 /nfs/dbraw/zinc/76/04/86/1036760486.db2.gz QPTUENCDDYBVEB-UHFFFAOYSA-N 2 0 313.272 3.611 20 0 DHADRP C[C@@H]1C[N@H+](CCCC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001197378418 1036771236 /nfs/dbraw/zinc/77/12/36/1036771236.db2.gz ZBOMZBZXISEARV-QGZVFWFLSA-N 2 0 301.478 3.953 20 0 DHADRP C[C@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205296666 1036839501 /nfs/dbraw/zinc/83/95/01/1036839501.db2.gz SHTPZHQEWBATTC-GXTWGEPZSA-N 2 0 315.288 3.843 20 0 DHADRP CC[NH+](CC)CC[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC001184417378 1036841927 /nfs/dbraw/zinc/84/19/27/1036841927.db2.gz CRFAXEBZCPULPT-BJLQDIEVSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000492425395 1036870572 /nfs/dbraw/zinc/87/05/72/1036870572.db2.gz ROWHVHBQBDGMFE-DZKIICNBSA-N 2 0 314.395 3.685 20 0 DHADRP CN1CCC([N@@H+](Cc2ccco2)CC2Cc3ccccc3C2)CC1 ZINC000570093874 1036925648 /nfs/dbraw/zinc/92/56/48/1036925648.db2.gz XBPQWPFKDRZQFQ-UHFFFAOYSA-N 2 0 324.468 3.591 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000073650499 1036979565 /nfs/dbraw/zinc/97/95/65/1036979565.db2.gz GCFNDQHSYWGSHS-UHFFFAOYSA-N 2 0 320.383 3.639 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000237179565 1036994724 /nfs/dbraw/zinc/99/47/24/1036994724.db2.gz JVLWXDCQXAJZJU-SFHVURJKSA-N 2 0 310.441 3.910 20 0 DHADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000237487915 1037012307 /nfs/dbraw/zinc/01/23/07/1037012307.db2.gz HWIVTOABVMCRAW-QGZVFWFLSA-N 2 0 318.505 3.958 20 0 DHADRP CCC1(C[NH2+]C[C@H]2C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000488444784 1037013577 /nfs/dbraw/zinc/01/35/77/1037013577.db2.gz WIDJYHRBQLQUCL-IEBWSBKVSA-N 2 0 300.490 3.924 20 0 DHADRP CC(C)CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000315997054 1037064394 /nfs/dbraw/zinc/06/43/94/1037064394.db2.gz ZRYAJOHTRIGUFU-SJORKVTESA-N 2 0 310.526 3.679 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000316592830 1037139101 /nfs/dbraw/zinc/13/91/01/1037139101.db2.gz FYMAZZWXARZYON-QZTJIDSGSA-N 2 0 302.462 3.582 20 0 DHADRP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309811788 1037185168 /nfs/dbraw/zinc/18/51/68/1037185168.db2.gz MYEDHFAPRUBTSS-YVRYJGMNSA-N 2 0 306.453 3.812 20 0 DHADRP C[C@H]([NH2+]CCOc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393832518 1037232635 /nfs/dbraw/zinc/23/26/35/1037232635.db2.gz LBZXCVHUGKXOKT-ICSRJNTNSA-N 2 0 324.468 3.566 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000322854244 1037252740 /nfs/dbraw/zinc/25/27/40/1037252740.db2.gz QXMLWHCEYAMXQO-YZVOILCLSA-N 2 0 309.457 3.762 20 0 DHADRP Fc1c(C[NH2+]CCCCC[NH+]2CCCCC2)ccnc1Cl ZINC000823795300 1037327245 /nfs/dbraw/zinc/32/72/45/1037327245.db2.gz NHTNOVNJSCKMAZ-UHFFFAOYSA-N 2 0 313.848 3.620 20 0 DHADRP C1=CO[C@H](C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000774995829 1037348386 /nfs/dbraw/zinc/34/83/86/1037348386.db2.gz YQINTJOACYCWQM-FQEVSTJZSA-N 2 0 314.473 3.845 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000489576241 1037482657 /nfs/dbraw/zinc/48/26/57/1037482657.db2.gz YWPOYRVCZHUYGZ-NSHDSACASA-N 2 0 317.246 3.581 20 0 DHADRP C[C@@H](C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1)C(C)(C)C ZINC000670268384 1037491638 /nfs/dbraw/zinc/49/16/38/1037491638.db2.gz ZTOQKACTJQJZJS-JKSUJKDBSA-N 2 0 303.494 3.879 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397798156 1037529353 /nfs/dbraw/zinc/52/93/53/1037529353.db2.gz FEKXQPFGZZKGRW-ISARSNTHSA-N 2 0 300.490 3.921 20 0 DHADRP C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000348837393 1037537044 /nfs/dbraw/zinc/53/70/44/1037537044.db2.gz HQPFROHJTQFBHF-RHSMWYFYSA-N 2 0 315.486 3.788 20 0 DHADRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC001205912705 1037537589 /nfs/dbraw/zinc/53/75/89/1037537589.db2.gz BSUDXEWRLZDBBN-WCQYABFASA-N 2 0 318.408 3.858 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(OC)c1 ZINC000658356051 1037604403 /nfs/dbraw/zinc/60/44/03/1037604403.db2.gz MLRBRDQXYLBFOA-HXUWFJFHSA-N 2 0 316.489 3.858 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000490178273 1037630064 /nfs/dbraw/zinc/63/00/64/1037630064.db2.gz KWQWNUOUQVDGOD-WBVHZDCISA-N 2 0 307.457 3.916 20 0 DHADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201410137 1037678957 /nfs/dbraw/zinc/67/89/57/1037678957.db2.gz HVTIFMTVMBLBGL-SESVDKBCSA-N 2 0 310.485 3.715 20 0 DHADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201410134 1037679348 /nfs/dbraw/zinc/67/93/48/1037679348.db2.gz HVTIFMTVMBLBGL-NRSPTQNISA-N 2 0 310.485 3.715 20 0 DHADRP CC(C)=CCC[C@H](C)C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201496764 1037714395 /nfs/dbraw/zinc/71/43/95/1037714395.db2.gz QSZHDELFSBFDKP-SFHVURJKSA-N 2 0 322.537 3.944 20 0 DHADRP Cc1cc(Cl)cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201666691 1037822730 /nfs/dbraw/zinc/82/27/30/1037822730.db2.gz FXZJIYVGTYPZQS-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP CSCCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201700682 1037843031 /nfs/dbraw/zinc/84/30/31/1037843031.db2.gz YPCXUIGSIBZJOE-MOPGFXCFSA-N 2 0 318.530 3.584 20 0 DHADRP CCc1ccc([C@H]([NH2+]CCCC[NH+](C)C)c2cccnc2)cc1 ZINC000924857246 1037849976 /nfs/dbraw/zinc/84/99/76/1037849976.db2.gz ZWBLHOXRCICYSU-FQEVSTJZSA-N 2 0 311.473 3.665 20 0 DHADRP C[C@H](CCC1CC1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000186241128 1037883657 /nfs/dbraw/zinc/88/36/57/1037883657.db2.gz MCIVDULEWYKROL-QGZVFWFLSA-N 2 0 300.490 3.862 20 0 DHADRP CCC(C)(C)C1CCC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186600715 1037919195 /nfs/dbraw/zinc/91/91/95/1037919195.db2.gz QDTWNRWAVIADML-VIQWUECVSA-N 2 0 323.569 3.597 20 0 DHADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC001201918334 1037939941 /nfs/dbraw/zinc/93/99/41/1037939941.db2.gz IUKSWGPBXWZEKA-CGTJXYLNSA-N 2 0 304.503 3.690 20 0 DHADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC001201947009 1037947479 /nfs/dbraw/zinc/94/74/79/1037947479.db2.gz OSKLJATXBBKQEW-WMZOPIPTSA-N 2 0 316.489 3.746 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125891216 1037975190 /nfs/dbraw/zinc/97/51/90/1037975190.db2.gz BHUZQYNPIBEPOY-FGTMMUONSA-N 2 0 318.505 3.897 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c2ccccc12 ZINC000126227771 1038051294 /nfs/dbraw/zinc/05/12/94/1038051294.db2.gz DFLYLIGVUSRGHU-OAHLLOKOSA-N 2 0 312.457 3.841 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000571416893 1038140752 /nfs/dbraw/zinc/14/07/52/1038140752.db2.gz IPKOWAFCUIWBKV-KBAYOESNSA-N 2 0 304.478 3.654 20 0 DHADRP CCCCCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000066152264 1038141088 /nfs/dbraw/zinc/14/10/88/1038141088.db2.gz KMVTZFDNYPOSCD-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP C[NH+](C)C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000646059342 1038243175 /nfs/dbraw/zinc/24/31/75/1038243175.db2.gz CORCFLPWJVLHTD-UHFFFAOYSA-N 2 0 308.469 3.845 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000571789547 1038254614 /nfs/dbraw/zinc/25/46/14/1038254614.db2.gz PSXWNKCDDRAHAP-CYBMUJFWSA-N 2 0 302.384 3.614 20 0 DHADRP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000588177737 1038268053 /nfs/dbraw/zinc/26/80/53/1038268053.db2.gz BNRKBSZIQALGBI-JXAWBTAJSA-N 2 0 324.468 3.820 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2c(F)ccc(C)c2F)CC1 ZINC001190349545 1038303229 /nfs/dbraw/zinc/30/32/29/1038303229.db2.gz XPWMWDSOMKIIMF-UHFFFAOYSA-N 2 0 310.432 3.827 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC001190408265 1038310017 /nfs/dbraw/zinc/31/00/17/1038310017.db2.gz UHWITAWCYSIWNB-UHFFFAOYSA-N 2 0 324.896 3.990 20 0 DHADRP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001205537911 1038370302 /nfs/dbraw/zinc/37/03/02/1038370302.db2.gz KODIVLOARDVLAG-OIISXLGYSA-N 2 0 310.844 3.596 20 0 DHADRP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCCO1 ZINC001190731470 1038373931 /nfs/dbraw/zinc/37/39/31/1038373931.db2.gz PSLNPWCBCLYLKF-HXUWFJFHSA-N 2 0 316.489 3.673 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cc(C)ccc2C)CC[NH+](C)CC1 ZINC000589349429 1038467720 /nfs/dbraw/zinc/46/77/20/1038467720.db2.gz TZHGYGOVVTXMEC-INIZCTEOSA-N 2 0 306.519 3.781 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cccc(C)c2C)CC[NH+](C)CC1 ZINC000589348074 1038468044 /nfs/dbraw/zinc/46/80/44/1038468044.db2.gz LISAKIUHJDWWCC-INIZCTEOSA-N 2 0 306.519 3.781 20 0 DHADRP C[C@@H]([NH2+]CCNc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775513306 1038606268 /nfs/dbraw/zinc/60/62/68/1038606268.db2.gz WERFHAATHNBIID-UYAOXDASSA-N 2 0 323.484 3.599 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC23CC(C)(C2)OC3)CC1)CC(C)C ZINC001192490930 1038665749 /nfs/dbraw/zinc/66/57/49/1038665749.db2.gz VVHFMISFHLBBCM-UHFFFAOYSA-N 2 0 322.537 3.636 20 0 DHADRP C[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)CC[C@H]1C[NH3+] ZINC001205604670 1038693395 /nfs/dbraw/zinc/69/33/95/1038693395.db2.gz VZEXHDTXZHHKRF-OCCSQVGLSA-N 2 0 315.288 3.843 20 0 DHADRP Cc1cccc(C)c1OCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590819029 1038715849 /nfs/dbraw/zinc/71/58/49/1038715849.db2.gz UMFPZPOQZWEJPE-UHFFFAOYSA-N 2 0 318.505 3.734 20 0 DHADRP CCCc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000598643641 1038801585 /nfs/dbraw/zinc/80/15/85/1038801585.db2.gz FYBLUJLGKDOFSC-UHFFFAOYSA-N 2 0 312.548 3.618 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cn2ccccc2n1 ZINC000573386330 1038930481 /nfs/dbraw/zinc/93/04/81/1038930481.db2.gz ZWDFWDJOIRTPQK-DLBZAZTESA-N 2 0 314.477 3.640 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cn2ccccc2n1 ZINC000573386332 1038932167 /nfs/dbraw/zinc/93/21/67/1038932167.db2.gz ZWDFWDJOIRTPQK-IRXDYDNUSA-N 2 0 314.477 3.640 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415814 1039216410 /nfs/dbraw/zinc/21/64/10/1039216410.db2.gz CYGVEWBUKQCGQY-IHPCNDPISA-N 2 0 316.464 3.807 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCSC2)CC1)CC(C)C ZINC000574081155 1039390600 /nfs/dbraw/zinc/39/06/00/1039390600.db2.gz IJQLKSWIJLNJMT-SFHVURJKSA-N 2 0 312.567 3.820 20 0 DHADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000574054145 1039400464 /nfs/dbraw/zinc/40/04/64/1039400464.db2.gz UMWLRZXMUNDPMY-GJZGRUSLSA-N 2 0 314.395 3.843 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604770838 1039535410 /nfs/dbraw/zinc/53/54/10/1039535410.db2.gz NKYPLGCQOXKYJP-GOSISDBHSA-N 2 0 306.494 3.930 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604771114 1039536522 /nfs/dbraw/zinc/53/65/22/1039536522.db2.gz XTCZYEWWIQYRGJ-SFHVURJKSA-N 2 0 306.494 3.931 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000498423596 1039573724 /nfs/dbraw/zinc/57/37/24/1039573724.db2.gz QMHZQWHUJHYPTK-GOSISDBHSA-N 2 0 307.457 3.629 20 0 DHADRP COc1cccc(Cl)c1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000605322247 1039659465 /nfs/dbraw/zinc/65/94/65/1039659465.db2.gz OPBVGQOPWDEORC-UHFFFAOYSA-N 2 0 324.896 3.950 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000574726892 1039770074 /nfs/dbraw/zinc/77/00/74/1039770074.db2.gz SPVBUHAUFVJSJB-QUCCMNQESA-N 2 0 316.489 3.638 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000574772044 1039934639 /nfs/dbraw/zinc/93/46/39/1039934639.db2.gz XFWIRZAYQDRYCG-KBPBESRZSA-N 2 0 301.261 3.786 20 0 DHADRP Clc1ccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606902956 1040033290 /nfs/dbraw/zinc/03/32/90/1040033290.db2.gz JXMSMXTYGKEKCK-MRXNPFEDSA-N 2 0 322.880 3.527 20 0 DHADRP CCSC1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000595099692 1040064245 /nfs/dbraw/zinc/06/42/45/1040064245.db2.gz OGLMSSHSIVWIAX-WMZOPIPTSA-N 2 0 318.530 3.772 20 0 DHADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000595100320 1040064857 /nfs/dbraw/zinc/06/48/57/1040064857.db2.gz RLDHORYWKXCRGT-FUHWJXTLSA-N 2 0 318.530 3.772 20 0 DHADRP Cc1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000607732775 1040236724 /nfs/dbraw/zinc/23/67/24/1040236724.db2.gz GTSAOGQFVTXPEV-NRFANRHFSA-N 2 0 314.517 3.981 20 0 DHADRP Cc1nc(C)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000607726598 1040261442 /nfs/dbraw/zinc/26/14/42/1040261442.db2.gz APDAJMZLKWYVBZ-UHFFFAOYSA-N 2 0 321.534 3.848 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000608062225 1040360942 /nfs/dbraw/zinc/36/09/42/1040360942.db2.gz IZBWCCCBKIJABZ-WOJBJXKFSA-N 2 0 316.489 3.685 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nsc3ccccc32)C[C@H]1C ZINC000659983661 1040556476 /nfs/dbraw/zinc/55/64/76/1040556476.db2.gz RZIJKPLVUWEAGQ-HUUCEWRRSA-N 2 0 317.502 3.643 20 0 DHADRP C[N@H+](CCc1cccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174400483 1040634523 /nfs/dbraw/zinc/63/45/23/1040634523.db2.gz CSOKKNXVZHPLJX-GOSISDBHSA-N 2 0 314.498 3.745 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000534347213 1040815937 /nfs/dbraw/zinc/81/59/37/1040815937.db2.gz AZAACRKHXAFDRR-YJBOKZPZSA-N 2 0 304.478 3.955 20 0 DHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471065 1040887319 /nfs/dbraw/zinc/88/73/19/1040887319.db2.gz QYFZLHNJQZEYDR-WXYCVUISSA-N 2 0 323.278 3.569 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C ZINC000273190377 536618601 /nfs/dbraw/zinc/61/86/01/536618601.db2.gz PQNCBKUTPZVUCL-MRXNPFEDSA-N 2 0 316.489 3.980 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000563785002 335012350 /nfs/dbraw/zinc/01/23/50/335012350.db2.gz VMIAWCRBZJZCCP-HBFSDRIKSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@H](c1cccnc1)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)c1cccnc1 ZINC000093234369 193220189 /nfs/dbraw/zinc/22/01/89/193220189.db2.gz UDIBLNITAQSNPI-FBLDJFESSA-N 2 0 324.472 3.719 20 0 DHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011058 193338298 /nfs/dbraw/zinc/33/82/98/193338298.db2.gz GHFSMBVMALAFCO-LBPRGKRZSA-N 2 0 300.368 3.698 20 0 DHADRP Fc1ccc(C2=CC[C@@H]([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000272301338 130017347 /nfs/dbraw/zinc/01/73/47/130017347.db2.gz DHPUEERTRCHOBI-HNAYVOBHSA-N 2 0 314.448 3.836 20 0 DHADRP Cc1ccc2nc(CNc3ccc(C[NH+]4CCCC4)cc3)cn2c1 ZINC000272553646 130040497 /nfs/dbraw/zinc/04/04/97/130040497.db2.gz MLIPKKWFDYSATK-UHFFFAOYSA-N 2 0 320.440 3.851 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273378271 130114763 /nfs/dbraw/zinc/11/47/63/130114763.db2.gz BROPLCCHUPVFQS-RTBURBONSA-N 2 0 320.452 3.510 20 0 DHADRP COCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274790414 130262717 /nfs/dbraw/zinc/26/27/17/130262717.db2.gz RLNXTWVUWUOGEJ-IEBWSBKVSA-N 2 0 318.505 3.549 20 0 DHADRP CSc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278600070 130705019 /nfs/dbraw/zinc/70/50/19/130705019.db2.gz ZLFWPKSSBVRUQD-HNNXBMFYSA-N 2 0 318.530 3.804 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)no1 ZINC000284127966 131050846 /nfs/dbraw/zinc/05/08/46/131050846.db2.gz OCHXFHJFGWONJN-AWEZNQCLSA-N 2 0 319.474 3.607 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccncc2)CC1 ZINC000286227548 131225704 /nfs/dbraw/zinc/22/57/04/131225704.db2.gz SSRVWIDUFLJNLZ-UHFFFAOYSA-N 2 0 323.484 3.657 20 0 DHADRP C[C@@H]([NH2+]CCCC(C)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000297472035 132017681 /nfs/dbraw/zinc/01/76/81/132017681.db2.gz YREKMXGUYIUAHY-CQSZACIVSA-N 2 0 314.420 3.713 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)c1ccccc1 ZINC000297592149 132024452 /nfs/dbraw/zinc/02/44/52/132024452.db2.gz JGYZOUUOHSUWGD-IAGOWNOFSA-N 2 0 309.457 3.832 20 0 DHADRP c1ccc(C2CC(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298138864 132047156 /nfs/dbraw/zinc/04/71/56/132047156.db2.gz QPJVKFDDOCYJHK-UHFFFAOYSA-N 2 0 321.468 3.834 20 0 DHADRP c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298385967 132060260 /nfs/dbraw/zinc/06/02/60/132060260.db2.gz LFXYEFZLTJLCGX-SFHVURJKSA-N 2 0 321.468 3.760 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000570786914 332815872 /nfs/dbraw/zinc/81/58/72/332815872.db2.gz CGDODXBKECOBRU-RGOBTLIRSA-N 2 0 308.510 3.575 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171128007 332855146 /nfs/dbraw/zinc/85/51/46/332855146.db2.gz VFVIOEPMFLVQPV-MRXNPFEDSA-N 2 0 312.457 3.998 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180642307 331575033 /nfs/dbraw/zinc/57/50/33/331575033.db2.gz IPNAIRKDUFYKLM-NRFANRHFSA-N 2 0 323.484 3.883 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000070188735 331658283 /nfs/dbraw/zinc/65/82/83/331658283.db2.gz QXVKJBRIRIGALC-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000261698735 331773171 /nfs/dbraw/zinc/77/31/71/331773171.db2.gz JTUCWFHCRXVYAO-UHFFFAOYSA-N 2 0 312.457 3.670 20 0 DHADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c2ccccc12 ZINC000261711751 331809621 /nfs/dbraw/zinc/80/96/21/331809621.db2.gz PSSYDKSVODQKLS-HXUWFJFHSA-N 2 0 324.468 3.812 20 0 DHADRP CSC1(C[NH2+][C@H](c2ccccc2)C2CC2)CC[NH+](C)CC1 ZINC000558508086 331915236 /nfs/dbraw/zinc/91/52/36/331915236.db2.gz ALZDTOGIWCUCDB-QGZVFWFLSA-N 2 0 304.503 3.555 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000262057291 331915572 /nfs/dbraw/zinc/91/55/72/331915572.db2.gz DNGIVRLIDHHSAH-BZUAXINKSA-N 2 0 312.379 3.716 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000262057290 331915609 /nfs/dbraw/zinc/91/56/09/331915609.db2.gz DNGIVRLIDHHSAH-ARFHVFGLSA-N 2 0 312.379 3.716 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000129310528 332018324 /nfs/dbraw/zinc/01/83/24/332018324.db2.gz MSNJROYQXCRMOI-UHFFFAOYSA-N 2 0 304.478 3.873 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000131783378 332033701 /nfs/dbraw/zinc/03/37/01/332033701.db2.gz IWHRFOLKVIAMFN-AVOUXACISA-N 2 0 306.425 3.500 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000090586702 332090557 /nfs/dbraw/zinc/09/05/57/332090557.db2.gz DAAXCXKUOHCZNF-JKSUJKDBSA-N 2 0 322.468 3.853 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CCc3ccccc32)CC1 ZINC000449381084 332099243 /nfs/dbraw/zinc/09/92/43/332099243.db2.gz XPQBBZNIXFAYFQ-KRWDZBQOSA-N 2 0 300.490 3.959 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000569474137 332099687 /nfs/dbraw/zinc/09/96/87/332099687.db2.gz WSHYGGIEBPLLLF-TVFCKZIOSA-N 2 0 301.478 3.523 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449402077 332135832 /nfs/dbraw/zinc/13/58/32/332135832.db2.gz JOPGKTVWJKATIP-NEPXVJNWSA-N 2 0 310.526 3.680 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nc(C)sc3c2)[C@H](C)C1 ZINC000426414341 332144976 /nfs/dbraw/zinc/14/49/76/332144976.db2.gz AVNPTFPHEIHWBD-DYVFJYSZSA-N 2 0 317.502 3.767 20 0 DHADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000426062045 335096855 /nfs/dbraw/zinc/09/68/55/335096855.db2.gz WHQZXCFXZBANNR-LPHOPBHVSA-N 2 0 318.505 3.509 20 0 DHADRP Clc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000536499139 332253126 /nfs/dbraw/zinc/25/31/26/332253126.db2.gz VWNLMZXRZGNUHW-FGTMMUONSA-N 2 0 304.865 3.934 20 0 DHADRP CN1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000559855914 332285825 /nfs/dbraw/zinc/28/58/25/332285825.db2.gz RFOUGADOKIJXGF-KNIAUWFNSA-N 2 0 312.379 3.752 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@H]2CCC[C@@H]21 ZINC000559878505 332288812 /nfs/dbraw/zinc/28/88/12/332288812.db2.gz SUODTMPWGWONAK-IKGGRYGDSA-N 2 0 300.471 3.864 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237247989 332329175 /nfs/dbraw/zinc/32/91/75/332329175.db2.gz VPFREAGWHSQUKK-ZWKOTPCHSA-N 2 0 318.505 3.728 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCNc1ccccn1 ZINC000560524701 332351170 /nfs/dbraw/zinc/35/11/70/332351170.db2.gz LHDFXXXSBXELLO-AWEZNQCLSA-N 2 0 319.399 3.773 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000560530318 332352581 /nfs/dbraw/zinc/35/25/81/332352581.db2.gz XXCRGFTXJNMWFH-XUVXKRRUSA-N 2 0 316.489 3.684 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000427954949 332571294 /nfs/dbraw/zinc/57/12/94/332571294.db2.gz CNCQTLSQLYOSLU-NJAFHUGGSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000051693412 332657317 /nfs/dbraw/zinc/65/73/17/332657317.db2.gz XFEOOVNTYAOXQB-QFWMXSHPSA-N 2 0 302.340 3.506 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000572632239 332684742 /nfs/dbraw/zinc/68/47/42/332684742.db2.gz VLNWUBSWCVJEKD-SOAGJPPSSA-N 2 0 322.537 3.560 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000177976697 333133669 /nfs/dbraw/zinc/13/36/69/333133669.db2.gz BKTWCBOPJGRSHO-IBGZPJMESA-N 2 0 314.477 3.501 20 0 DHADRP Cc1cnccc1CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000563045915 333173969 /nfs/dbraw/zinc/17/39/69/333173969.db2.gz STANRSNRMKUMLM-UHFFFAOYSA-N 2 0 324.468 3.740 20 0 DHADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183186729 333183505 /nfs/dbraw/zinc/18/35/05/333183505.db2.gz IFDGSNBLKCYBFO-SOLBZPMBSA-N 2 0 316.489 3.999 20 0 DHADRP CSC1(C[NH2+]C[C@H](C)CCc2ccccc2)CC[NH+](C)CC1 ZINC000582091725 333210340 /nfs/dbraw/zinc/21/03/40/333210340.db2.gz HRWQNZJZYBTPBU-QGZVFWFLSA-N 2 0 320.546 3.672 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)ccc2c1 ZINC000390457893 333281489 /nfs/dbraw/zinc/28/14/89/333281489.db2.gz FYZMLIBLBVEVQA-LSDHHAIUSA-N 2 0 300.446 3.697 20 0 DHADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1OC(F)F ZINC000525783748 333309692 /nfs/dbraw/zinc/30/96/92/333309692.db2.gz FJGPMKSHGDEOLP-OAHLLOKOSA-N 2 0 312.404 3.594 20 0 DHADRP CC(C)SCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000390738827 333322365 /nfs/dbraw/zinc/32/23/65/333322365.db2.gz AKMGLLFLINTSAA-IPMKNSEASA-N 2 0 318.530 3.628 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000514091503 333324724 /nfs/dbraw/zinc/32/47/24/333324724.db2.gz ZHTLNYAPGWJDFP-WCIQWLHISA-N 2 0 300.490 3.889 20 0 DHADRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)CC1 ZINC000583467928 333359988 /nfs/dbraw/zinc/35/99/88/333359988.db2.gz ZSDRRRBJKVVHLC-RCAFFNEUSA-N 2 0 320.427 3.642 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000125142819 333507679 /nfs/dbraw/zinc/50/76/79/333507679.db2.gz PFJDZNUKIYCJRB-QGZVFWFLSA-N 2 0 318.505 3.870 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCO1 ZINC000411514927 333686489 /nfs/dbraw/zinc/68/64/89/333686489.db2.gz GYCJULXKFYHVRF-VQTJNVASSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000571246358 333689981 /nfs/dbraw/zinc/68/99/81/333689981.db2.gz MXPHBVCSVMTUBL-CHWSQXEVSA-N 2 0 302.384 3.739 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000271384247 334022401 /nfs/dbraw/zinc/02/24/01/334022401.db2.gz IWDRUOSARFQHCA-QGZVFWFLSA-N 2 0 309.457 3.837 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000271912160 334028595 /nfs/dbraw/zinc/02/85/95/334028595.db2.gz SFFOWGCSWIUHBD-UHFFFAOYSA-N 2 0 318.770 3.710 20 0 DHADRP CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000272968469 334041509 /nfs/dbraw/zinc/04/15/09/334041509.db2.gz BSXPLRYWCBRTCL-CYBMUJFWSA-N 2 0 324.428 3.890 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cc2)cc1 ZINC000414661292 334060393 /nfs/dbraw/zinc/06/03/93/334060393.db2.gz PKEFLKRWNJPJTB-UWJYYQICSA-N 2 0 324.468 3.743 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000414666985 334062237 /nfs/dbraw/zinc/06/22/37/334062237.db2.gz XFPVTZUFKBQJHB-LPHOPBHVSA-N 2 0 324.468 3.921 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414665338 334062260 /nfs/dbraw/zinc/06/22/60/334062260.db2.gz UXVWDMDOIICFPC-UHFFFAOYSA-N 2 0 314.395 3.835 20 0 DHADRP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1C(F)(F)F ZINC000414666946 334062381 /nfs/dbraw/zinc/06/23/81/334062381.db2.gz GWGGODVMQBDLEN-GFCCVEGCSA-N 2 0 300.368 3.573 20 0 DHADRP COc1ccccc1-c1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000414665378 334062401 /nfs/dbraw/zinc/06/24/01/334062401.db2.gz VEWGMLJGRSEGSA-UHFFFAOYSA-N 2 0 312.457 3.779 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414669125 334063911 /nfs/dbraw/zinc/06/39/11/334063911.db2.gz KEFBFVNHFGSCTA-IHPCNDPISA-N 2 0 322.452 3.531 20 0 DHADRP C[NH2+]C[C@H]1CCN(Cc2ccc(OCc3ccc(C)cc3)cc2)C1 ZINC000414672311 334064964 /nfs/dbraw/zinc/06/49/64/334064964.db2.gz NTUWDONCJWIKLY-HXUWFJFHSA-N 2 0 324.468 3.615 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000414677618 334067020 /nfs/dbraw/zinc/06/70/20/334067020.db2.gz UWCIVZCVBRUFQT-MRXNPFEDSA-N 2 0 324.468 3.921 20 0 DHADRP COc1ccc(C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C2CC2)cc1 ZINC000414681385 334067731 /nfs/dbraw/zinc/06/77/31/334067731.db2.gz OXZDZHXFQMUBJU-LZLYRXPVSA-N 2 0 316.489 3.684 20 0 DHADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414701856 334070693 /nfs/dbraw/zinc/07/06/93/334070693.db2.gz KZIOKYYGVJSSTO-GXTWGEPZSA-N 2 0 300.368 3.525 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414712049 334072763 /nfs/dbraw/zinc/07/27/63/334072763.db2.gz UFPQHNKQBCJPRC-QEJZJMRPSA-N 2 0 309.523 3.956 20 0 DHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000414732687 334074952 /nfs/dbraw/zinc/07/49/52/334074952.db2.gz CYDLJMXDLLTGEC-CQSZACIVSA-N 2 0 303.475 3.769 20 0 DHADRP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763827 334087915 /nfs/dbraw/zinc/08/79/15/334087915.db2.gz CNTUSCYCSLGGOW-CALCHBBNSA-N 2 0 312.482 3.847 20 0 DHADRP Clc1scc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1Cl ZINC000414777883 334092433 /nfs/dbraw/zinc/09/24/33/334092433.db2.gz IOHUUTSYZOBBDG-MNOVXSKESA-N 2 0 319.301 3.876 20 0 DHADRP c1ccc(OCCCCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778021 334092482 /nfs/dbraw/zinc/09/24/82/334092482.db2.gz IUWIYCIELDCZDQ-RTBURBONSA-N 2 0 316.489 3.557 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780411 334093327 /nfs/dbraw/zinc/09/33/27/334093327.db2.gz LMOXDGNRWNGKHV-MSOLQXFVSA-N 2 0 324.468 3.670 20 0 DHADRP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781493 334093486 /nfs/dbraw/zinc/09/34/86/334093486.db2.gz MZZGQXMCMVRMHE-LSDHHAIUSA-N 2 0 322.880 3.560 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414792050 334098312 /nfs/dbraw/zinc/09/83/12/334098312.db2.gz BWFLQIMLAPIFCY-MBNYWOFBSA-N 2 0 300.899 3.830 20 0 DHADRP CN(Cc1ccc(Cl)c(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000414796900 334100207 /nfs/dbraw/zinc/10/02/07/334100207.db2.gz XXWKCSKYFPMVNY-UHFFFAOYSA-N 2 0 306.759 3.672 20 0 DHADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414800605 334101398 /nfs/dbraw/zinc/10/13/98/334101398.db2.gz SFSIRAOGUZEPNR-WFASDCNBSA-N 2 0 302.384 3.599 20 0 DHADRP COc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)ccc1SC ZINC000414807727 334104251 /nfs/dbraw/zinc/10/42/51/334104251.db2.gz JMEIAXIIPNUEPD-ZDUSSCGKSA-N 2 0 316.470 3.727 20 0 DHADRP Fc1ccc(C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000414822116 334108250 /nfs/dbraw/zinc/10/82/50/334108250.db2.gz CCMZNKFQYMRMAI-HGAURGICSA-N 2 0 302.437 3.725 20 0 DHADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414824156 334108751 /nfs/dbraw/zinc/10/87/51/334108751.db2.gz QDAKHWIVSFGIIF-UMVBOHGHSA-N 2 0 314.395 3.787 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414825262 334109301 /nfs/dbraw/zinc/10/93/01/334109301.db2.gz GUUFNFYBSSZZOR-ZDUSSCGKSA-N 2 0 304.434 3.643 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)o1 ZINC000414847773 334120223 /nfs/dbraw/zinc/12/02/23/334120223.db2.gz JODBOJYEXXTIAK-AWEZNQCLSA-N 2 0 302.393 3.565 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414849528 334121811 /nfs/dbraw/zinc/12/18/11/334121811.db2.gz XSKOAUGBZPDLRY-CYBMUJFWSA-N 2 0 314.395 3.888 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414854439 334127800 /nfs/dbraw/zinc/12/78/00/334127800.db2.gz LVHCUCZQWJJKRO-FUHWJXTLSA-N 2 0 304.478 3.589 20 0 DHADRP Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000343615072 335177623 /nfs/dbraw/zinc/17/76/23/335177623.db2.gz CJFRFTVBBIWHSW-ZBFHGGJFSA-N 2 0 313.420 3.745 20 0 DHADRP CC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]CC1 ZINC000414896439 334160447 /nfs/dbraw/zinc/16/04/47/334160447.db2.gz BSPQUYVEXLQIRV-UHFFFAOYSA-N 2 0 320.786 3.838 20 0 DHADRP CC1(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414903110 334166957 /nfs/dbraw/zinc/16/69/57/334166957.db2.gz LLHSFCRVSNSIPC-UHFFFAOYSA-N 2 0 320.786 3.838 20 0 DHADRP c1ccc(CC(C[NH2+][C@H]2CCC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000414915400 334176807 /nfs/dbraw/zinc/17/68/07/334176807.db2.gz MNMXXKGAOYZLPU-QFIPXVFZSA-N 2 0 322.496 3.820 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414931729 334195277 /nfs/dbraw/zinc/19/52/77/334195277.db2.gz BZSRPJHPWBXVHV-ZENOOKHLSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414937962 334200455 /nfs/dbraw/zinc/20/04/55/334200455.db2.gz CYIPDECWECAHQT-WBMJQRKESA-N 2 0 320.383 3.529 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)cc2)cc1 ZINC000414939760 334201077 /nfs/dbraw/zinc/20/10/77/334201077.db2.gz JNIICPAFHFAYNH-UTKZUKDTSA-N 2 0 324.468 3.662 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414941601 334202675 /nfs/dbraw/zinc/20/26/75/334202675.db2.gz LSJDREOBHLLXAU-COPCDDAFSA-N 2 0 322.496 3.818 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414956032 334208406 /nfs/dbraw/zinc/20/84/06/334208406.db2.gz MULWXRNCJSDJLB-BLLLJJGKSA-N 2 0 304.434 3.642 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414961508 334212650 /nfs/dbraw/zinc/21/26/50/334212650.db2.gz ILWUYSNEIZHHLJ-CJNGLKHVSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414967532 334214944 /nfs/dbraw/zinc/21/49/44/334214944.db2.gz QALAANQNPRQVFM-STQMWFEESA-N 2 0 300.899 3.844 20 0 DHADRP FC(F)(F)c1ccc(Cl)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414969850 334215846 /nfs/dbraw/zinc/21/58/46/334215846.db2.gz JSMYAWGAAMXTLQ-CYBMUJFWSA-N 2 0 320.786 3.981 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415082345 334273119 /nfs/dbraw/zinc/27/31/19/334273119.db2.gz OFSWLIIVMKSSAA-DVOMOZLQSA-N 2 0 314.395 3.757 20 0 DHADRP Clc1ccc(OCC2CC2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414969249 334218143 /nfs/dbraw/zinc/21/81/43/334218143.db2.gz SRRRGEVUEGTMBS-QGZVFWFLSA-N 2 0 322.880 3.751 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000295094254 334218348 /nfs/dbraw/zinc/21/83/48/334218348.db2.gz VEAJVGKTTUVADC-KQVLKZGSSA-N 2 0 306.881 3.904 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000414990269 334230362 /nfs/dbraw/zinc/23/03/62/334230362.db2.gz ICNOHEXNEKHGOE-UYAOXDASSA-N 2 0 324.468 3.873 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000414991216 334230783 /nfs/dbraw/zinc/23/07/83/334230783.db2.gz ATDALXHXHUUMSE-GJZGRUSLSA-N 2 0 321.896 3.547 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000415000626 334239937 /nfs/dbraw/zinc/23/99/37/334239937.db2.gz TVCZSMJJLCBLAO-WOJBJXKFSA-N 2 0 324.468 3.873 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000415003793 334241691 /nfs/dbraw/zinc/24/16/91/334241691.db2.gz XLAIMYWFGFIUPL-AVRFWSGWSA-N 2 0 302.437 3.567 20 0 DHADRP c1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298116368 334246639 /nfs/dbraw/zinc/24/66/39/334246639.db2.gz ORTNTHINWHVOEV-UAPYVXQJSA-N 2 0 307.441 3.586 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+][C@@H](C)CCCC[NH3+])cs2)cc1 ZINC000415016059 334258848 /nfs/dbraw/zinc/25/88/48/334258848.db2.gz PAGKWIHVVFFGDC-AWEZNQCLSA-N 2 0 303.475 3.726 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Br)cc1Cl ZINC000415018155 334259166 /nfs/dbraw/zinc/25/91/66/334259166.db2.gz TWPOWIBKPKSXDX-SNVBAGLBSA-N 2 0 319.674 3.710 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000415026019 334259732 /nfs/dbraw/zinc/25/97/32/334259732.db2.gz RPGMGKWBHYYYQX-SHTZXODSSA-N 2 0 315.486 3.665 20 0 DHADRP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)nc1 ZINC000415033828 334260222 /nfs/dbraw/zinc/26/02/22/334260222.db2.gz CCGFTSDVNZLTJN-FPOVZHCZSA-N 2 0 321.468 3.713 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415035105 334260562 /nfs/dbraw/zinc/26/05/62/334260562.db2.gz KNJZTKYKXCQOAI-BEFAXECRSA-N 2 0 310.441 3.579 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415040711 334260829 /nfs/dbraw/zinc/26/08/29/334260829.db2.gz PEPBDYRPTLRFRA-WOJBJXKFSA-N 2 0 324.468 3.791 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000453390696 334264594 /nfs/dbraw/zinc/26/45/94/334264594.db2.gz DDUDAIKNKUJFGT-SNVBAGLBSA-N 2 0 321.412 3.687 20 0 DHADRP Clc1cccc(CC[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)c1 ZINC000415075787 334267032 /nfs/dbraw/zinc/26/70/32/334267032.db2.gz AHCQPHYGZFBXPS-RBUKOAKNSA-N 2 0 314.860 3.965 20 0 DHADRP Cc1cccc(C)c1CC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000415077549 334270224 /nfs/dbraw/zinc/27/02/24/334270224.db2.gz FLFXIGJKSZJWSA-FPOVZHCZSA-N 2 0 308.469 3.929 20 0 DHADRP C[C@@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415089817 334280069 /nfs/dbraw/zinc/28/00/69/334280069.db2.gz YDQNKXWGFQJBOV-XHDPSFHLSA-N 2 0 301.261 3.686 20 0 DHADRP Brc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CCC2)cc1 ZINC000415090200 334280087 /nfs/dbraw/zinc/28/00/87/334280087.db2.gz YPDLCRMTORCIHN-INIZCTEOSA-N 2 0 323.278 3.632 20 0 DHADRP C[C@@H](CC[NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415093223 334280397 /nfs/dbraw/zinc/28/03/97/334280397.db2.gz UTUNIZMSNCYGOF-ZDUSSCGKSA-N 2 0 314.395 3.788 20 0 DHADRP c1ccc(C[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000415113685 334282155 /nfs/dbraw/zinc/28/21/55/334282155.db2.gz FDZNYHSOASPABU-NHCUHLMSSA-N 2 0 308.469 3.745 20 0 DHADRP CC(C)c1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415129942 334285464 /nfs/dbraw/zinc/28/54/64/334285464.db2.gz VSBPGBRSJBSWSN-UXHICEINSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000531932739 334297182 /nfs/dbraw/zinc/29/71/82/334297182.db2.gz RZBNZDYSHRHZJZ-FXAWDEMLSA-N 2 0 300.490 3.862 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)CC[N@@H+]1C ZINC000531939365 334298611 /nfs/dbraw/zinc/29/86/11/334298611.db2.gz KAFCZUBWFHKCEZ-IEBWSBKVSA-N 2 0 300.490 3.961 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531956307 334307918 /nfs/dbraw/zinc/30/79/18/334307918.db2.gz UYSMBANTPQVTQH-JFIYKMOQSA-N 2 0 304.478 3.856 20 0 DHADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000531960640 334316693 /nfs/dbraw/zinc/31/66/93/334316693.db2.gz OPRBLQOVUQDSRZ-PKOBYXMFSA-N 2 0 304.478 3.685 20 0 DHADRP CCC1CC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000342709269 334567437 /nfs/dbraw/zinc/56/74/37/334567437.db2.gz LUAZAQLTABXDJB-VPRUJKLYSA-N 2 0 316.489 3.574 20 0 DHADRP CSC1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC[NH+](C)CC1 ZINC000417325425 334708783 /nfs/dbraw/zinc/70/87/83/334708783.db2.gz BZKGJIUOSSOHMA-SOUVJXGZSA-N 2 0 324.559 3.657 20 0 DHADRP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417330393 334709258 /nfs/dbraw/zinc/70/92/58/334709258.db2.gz KVSZYHWRDACWQH-HPDBWDTBSA-N 2 0 304.503 3.847 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)CC(C)C ZINC000417385966 334788401 /nfs/dbraw/zinc/78/84/01/334788401.db2.gz YGUXKJSTYZMXCG-WDSOQIARSA-N 2 0 310.526 3.680 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)CC(C)C ZINC000417385964 334788457 /nfs/dbraw/zinc/78/84/57/334788457.db2.gz YGUXKJSTYZMXCG-NZSAHSFTSA-N 2 0 310.526 3.680 20 0 DHADRP CCCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000344003467 335211972 /nfs/dbraw/zinc/21/19/72/335211972.db2.gz IUQRKVRILQWKPN-FQEVSTJZSA-N 2 0 317.521 3.535 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1(C)C ZINC000344087994 335216774 /nfs/dbraw/zinc/21/67/74/335216774.db2.gz MULOYEOTEPRANX-MOPGFXCFSA-N 2 0 316.489 3.576 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000344171614 335227262 /nfs/dbraw/zinc/22/72/62/335227262.db2.gz AEVIHYPVCXTYML-NVXWUHKLSA-N 2 0 312.461 3.882 20 0 DHADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000344340797 335242553 /nfs/dbraw/zinc/24/25/53/335242553.db2.gz ZILYFALEAGPMRO-INIZCTEOSA-N 2 0 308.853 3.651 20 0 DHADRP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863732 335248201 /nfs/dbraw/zinc/24/82/01/335248201.db2.gz HHSODGFJAQATKI-OAHLLOKOSA-N 2 0 313.445 3.697 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000345146579 335301389 /nfs/dbraw/zinc/30/13/89/335301389.db2.gz BHPZXNWGAJDTHA-BZSNNMDCSA-N 2 0 318.505 3.679 20 0 DHADRP C([C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1)[NH+]1CCCCC1 ZINC000190974734 335360824 /nfs/dbraw/zinc/36/08/24/335360824.db2.gz PRDIZCIZJZZFPM-MOPGFXCFSA-N 2 0 320.521 3.676 20 0 DHADRP Cc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc2cccnc12 ZINC000346184838 335378967 /nfs/dbraw/zinc/37/89/67/335378967.db2.gz XTVKGEIITAGAPC-IBGZPJMESA-N 2 0 311.473 3.849 20 0 DHADRP CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@H]1CCCCO1 ZINC000346134991 335379933 /nfs/dbraw/zinc/37/99/33/335379933.db2.gz FRDZRYMNIWOFEC-MRXNPFEDSA-N 2 0 319.474 3.715 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000346215315 335384833 /nfs/dbraw/zinc/38/48/33/335384833.db2.gz PUIJVQWPIJSQJE-KRWDZBQOSA-N 2 0 324.453 3.974 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000346169765 335385115 /nfs/dbraw/zinc/38/51/15/335385115.db2.gz JUJXXTGZBJCATA-MRXNPFEDSA-N 2 0 320.440 3.811 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000346200247 335389592 /nfs/dbraw/zinc/38/95/92/335389592.db2.gz LTBKTVDLOMTSHP-YWZLYKJASA-N 2 0 318.424 3.769 20 0 DHADRP CC[N@H+](CCn1ccnc1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000346270301 335396506 /nfs/dbraw/zinc/39/65/06/335396506.db2.gz CYSYRXUEUAEEBL-GOSISDBHSA-N 2 0 303.425 3.611 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000346606306 335423155 /nfs/dbraw/zinc/42/31/55/335423155.db2.gz AIHPWIAJWIKLMN-UHFFFAOYSA-N 2 0 304.434 3.725 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000347128262 335467629 /nfs/dbraw/zinc/46/76/29/335467629.db2.gz PETKDDYKJNDODK-AWEZNQCLSA-N 2 0 300.471 3.974 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000348049074 335548068 /nfs/dbraw/zinc/54/80/68/335548068.db2.gz UFOONOWLJLIHDQ-CQSZACIVSA-N 2 0 303.475 3.803 20 0 DHADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CCC[NH+]3CCCCC3)C2)c1 ZINC000367044741 335598433 /nfs/dbraw/zinc/59/84/33/335598433.db2.gz XRWVREPSSLGLRZ-PKOBYXMFSA-N 2 0 301.478 3.573 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000583661433 336035698 /nfs/dbraw/zinc/03/56/98/336035698.db2.gz NSNBMXISENANKB-YATRRXNKSA-N 2 0 320.427 3.642 20 0 DHADRP CC[N@H+](CCC1CCN([C@@H](C)c2noc(C)n2)CC1)CC(C)C ZINC000351582792 336046813 /nfs/dbraw/zinc/04/68/13/336046813.db2.gz RAUZPBMRHMAHAN-HNNXBMFYSA-N 2 0 322.497 3.519 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCSCc2ccccc2)C1 ZINC000192611089 336193203 /nfs/dbraw/zinc/19/32/03/336193203.db2.gz WHIOANGXIKSXCC-GOSISDBHSA-N 2 0 306.519 3.584 20 0 DHADRP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000167572800 336195357 /nfs/dbraw/zinc/19/53/57/336195357.db2.gz NUZNSZGZDUPFAM-QRVBRYPASA-N 2 0 320.521 3.577 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000333337878 336202070 /nfs/dbraw/zinc/20/20/70/336202070.db2.gz XKSJMXSTFKSCIG-SJORKVTESA-N 2 0 301.478 3.667 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(OC)c(OC)c1 ZINC000352246453 336206586 /nfs/dbraw/zinc/20/65/86/336206586.db2.gz PVOMFPZAWVOLCG-DLBZAZTESA-N 2 0 320.477 3.619 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCOc2ccccc2)C[C@H]1C ZINC000526123917 336220288 /nfs/dbraw/zinc/22/02/88/336220288.db2.gz HJWIPGMQUBJOJF-QZTJIDSGSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3CC[NH3+])s2)cc1 ZINC000352544853 336223779 /nfs/dbraw/zinc/22/37/79/336223779.db2.gz DEXVTLABPZAQJX-INIZCTEOSA-N 2 0 315.486 3.822 20 0 DHADRP Fc1ccc(C[N@H+](CCn2ccnc2)CC2CC2)c(Cl)c1 ZINC000352549323 336223967 /nfs/dbraw/zinc/22/39/67/336223967.db2.gz ARKSQGFWYWKLDO-UHFFFAOYSA-N 2 0 307.800 3.588 20 0 DHADRP CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000352744176 336234280 /nfs/dbraw/zinc/23/42/80/336234280.db2.gz YVNCNHJDEJRVTO-FXAWDEMLSA-N 2 0 323.484 3.644 20 0 DHADRP CCc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000352744177 336234378 /nfs/dbraw/zinc/23/43/78/336234378.db2.gz YVNCNHJDEJRVTO-PXNSSMCTSA-N 2 0 323.484 3.644 20 0 DHADRP CCc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cn1 ZINC000352750349 336234703 /nfs/dbraw/zinc/23/47/03/336234703.db2.gz QAOYKWVPGSCOGW-OAHLLOKOSA-N 2 0 320.440 3.989 20 0 DHADRP CCc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cn1 ZINC000352750347 336234767 /nfs/dbraw/zinc/23/47/67/336234767.db2.gz QAOYKWVPGSCOGW-HNNXBMFYSA-N 2 0 320.440 3.989 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532448517 336247953 /nfs/dbraw/zinc/24/79/53/336247953.db2.gz YYYPRWXMUPHEBL-KEYYUXOJSA-N 2 0 308.897 3.936 20 0 DHADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000532450882 336250049 /nfs/dbraw/zinc/25/00/49/336250049.db2.gz JNMFITAGHMOPRQ-JXFKEZNVSA-N 2 0 312.457 3.631 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000532503833 336252493 /nfs/dbraw/zinc/25/24/93/336252493.db2.gz PBPPRNNXMKMUIL-SZMVWBNQSA-N 2 0 314.498 3.880 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000526954293 336276504 /nfs/dbraw/zinc/27/65/04/336276504.db2.gz OGIYRADYXDYEGD-DVOMOZLQSA-N 2 0 314.395 3.739 20 0 DHADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(OC(F)F)c1 ZINC000192925213 336284562 /nfs/dbraw/zinc/28/45/62/336284562.db2.gz PXOLCFBLIARNLJ-CQSZACIVSA-N 2 0 312.404 3.815 20 0 DHADRP Cc1cc(N2CC[NH+](Cc3cccs3)CC2)c2ccccc2[nH+]1 ZINC000301094321 336289579 /nfs/dbraw/zinc/28/95/79/336289579.db2.gz UMZKZLAXMLKNJB-UHFFFAOYSA-N 2 0 323.465 3.927 20 0 DHADRP C[C@H](OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000514099807 336303766 /nfs/dbraw/zinc/30/37/66/336303766.db2.gz QZBFFSIEOQLVSU-NBYUQASBSA-N 2 0 316.489 3.617 20 0 DHADRP Cc1cc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000302221508 336354676 /nfs/dbraw/zinc/35/46/76/336354676.db2.gz NZCPTFFHWPPHMP-UHFFFAOYSA-N 2 0 315.848 3.756 20 0 DHADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000514633826 336387068 /nfs/dbraw/zinc/38/70/68/336387068.db2.gz OKYMETAVQYGXMH-LJQANCHMSA-N 2 0 316.489 3.638 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCCCc3ccccc32)CC[NH+](C)CC1 ZINC000353634224 336430500 /nfs/dbraw/zinc/43/05/00/336430500.db2.gz ZHPGRCUJZYPJLC-GOSISDBHSA-N 2 0 318.530 3.871 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353844631 336443625 /nfs/dbraw/zinc/44/36/25/336443625.db2.gz UONKDSRPXRQJCU-HXUWFJFHSA-N 2 0 323.440 3.849 20 0 DHADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C(C)(C)O1 ZINC000355738451 336520642 /nfs/dbraw/zinc/52/06/42/336520642.db2.gz RYCAJLVILUQVSF-GOSISDBHSA-N 2 0 316.489 3.718 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000358052712 336608749 /nfs/dbraw/zinc/60/87/49/336608749.db2.gz YQRVGAFZCNAZMH-BXWFABGCSA-N 2 0 322.468 3.756 20 0 DHADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000360692158 336719060 /nfs/dbraw/zinc/71/90/60/336719060.db2.gz UWJGLPFLEOKQQH-IAGOWNOFSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000360820327 336723129 /nfs/dbraw/zinc/72/31/29/336723129.db2.gz JENJIDSPYZCMLY-HXUWFJFHSA-N 2 0 309.457 3.774 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000368386670 336843605 /nfs/dbraw/zinc/84/36/05/336843605.db2.gz ZCMBNDXUYNAZFQ-OOHWJJMZSA-N 2 0 322.497 3.504 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000368446048 336844995 /nfs/dbraw/zinc/84/49/95/336844995.db2.gz RUXAOJUDMRVIHL-OXQOHEQNSA-N 2 0 316.489 3.567 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000368520355 336846646 /nfs/dbraw/zinc/84/66/46/336846646.db2.gz UKSTYLNGRLEMQB-LJQANCHMSA-N 2 0 316.489 3.577 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000121783740 336977573 /nfs/dbraw/zinc/97/75/73/336977573.db2.gz QFXHWDNRSXWRAY-HNNXBMFYSA-N 2 0 307.507 3.541 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccccc1OC ZINC000121804750 336980630 /nfs/dbraw/zinc/98/06/30/336980630.db2.gz DROVETSTTMBEAK-GOSISDBHSA-N 2 0 304.478 3.858 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000122382852 337005556 /nfs/dbraw/zinc/00/55/56/337005556.db2.gz ITNNVSGSGMCECU-HXUWFJFHSA-N 2 0 324.468 3.794 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000122383039 337005618 /nfs/dbraw/zinc/00/56/18/337005618.db2.gz ITNNVSGSGMCECU-FQEVSTJZSA-N 2 0 324.468 3.794 20 0 DHADRP CC/C=C/CC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000375485656 337011997 /nfs/dbraw/zinc/01/19/97/337011997.db2.gz HITAEIZEWQKSQD-AQVLZCAOSA-N 2 0 307.507 3.608 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc(C(C)(C)C)s2)CC1 ZINC000375504249 337012449 /nfs/dbraw/zinc/01/24/49/337012449.db2.gz CDAIKPXQQKFWRU-UHFFFAOYSA-N 2 0 307.507 3.501 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC1 ZINC000376447858 337033652 /nfs/dbraw/zinc/03/36/52/337033652.db2.gz LFPJWPFHWPJDQT-PPUGGXLSSA-N 2 0 308.416 3.675 20 0 DHADRP Cc1ccncc1CCC[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000377869581 337062995 /nfs/dbraw/zinc/06/29/95/337062995.db2.gz PRWBGIFSVDABAP-QGZVFWFLSA-N 2 0 320.440 3.859 20 0 DHADRP C[N@H+](CC1CCCCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000378347404 337070480 /nfs/dbraw/zinc/07/04/80/337070480.db2.gz DDRWAVAVWVCSCT-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP CCCC[NH+]1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193904424 337080040 /nfs/dbraw/zinc/08/00/40/337080040.db2.gz MSSFHPXXUXEGQN-UHFFFAOYSA-N 2 0 306.519 3.774 20 0 DHADRP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000193813323 337080438 /nfs/dbraw/zinc/08/04/38/337080438.db2.gz XQVNSCADYRMQOC-AYHJJNSGSA-N 2 0 316.514 3.667 20 0 DHADRP C[N@@H+](Cc1cc(Cl)cc2cccnc21)C[C@@H]1CCC[NH+](C)C1 ZINC000172350617 337091294 /nfs/dbraw/zinc/09/12/94/337091294.db2.gz MFQBDBXKLUMJSX-CQSZACIVSA-N 2 0 317.864 3.662 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000393410968 337094602 /nfs/dbraw/zinc/09/46/02/337094602.db2.gz ADMRSQSBLMFXEG-HGKCTWBKSA-N 2 0 304.478 3.574 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584358887 337102282 /nfs/dbraw/zinc/10/22/82/337102282.db2.gz JXXGSACUONFLHD-DOTOQJQBSA-N 2 0 312.457 3.939 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000582633002 337116456 /nfs/dbraw/zinc/11/64/56/337116456.db2.gz KUOOJSKXLHCYMU-ARJAWSKDSA-N 2 0 308.416 3.642 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000582725968 337125959 /nfs/dbraw/zinc/12/59/59/337125959.db2.gz IGOMXFHQJQGOGO-XKGZKEIXSA-N 2 0 324.468 3.796 20 0 DHADRP CSCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000173490715 337135532 /nfs/dbraw/zinc/13/55/32/337135532.db2.gz GCMQVIHFBUCWDM-FUHWJXTLSA-N 2 0 306.519 3.724 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000178753318 337164839 /nfs/dbraw/zinc/16/48/39/337164839.db2.gz IICMVWOAWMUFBE-SFHVURJKSA-N 2 0 318.505 3.823 20 0 DHADRP Fc1ccc(CC[N@H+](CC2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000178977330 337166543 /nfs/dbraw/zinc/16/65/43/337166543.db2.gz WPKQPEUUANKZFF-UHFFFAOYSA-N 2 0 304.453 3.612 20 0 DHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000182127951 337186798 /nfs/dbraw/zinc/18/67/98/337186798.db2.gz OCXZLRONOPGAQF-CQSZACIVSA-N 2 0 317.477 3.559 20 0 DHADRP CC(C)c1cnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000183128397 337190008 /nfs/dbraw/zinc/19/00/08/337190008.db2.gz OVKKISAICFIFEH-ZBFHGGJFSA-N 2 0 319.518 3.715 20 0 DHADRP CC(C)CSCCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000582978613 337222332 /nfs/dbraw/zinc/22/23/32/337222332.db2.gz OAYIDMQMVZJPPV-MSOLQXFVSA-N 2 0 306.519 3.801 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000583170607 337251026 /nfs/dbraw/zinc/25/10/26/337251026.db2.gz FONCQUWJUPCEOS-AYBZRNKSSA-N 2 0 304.453 3.563 20 0 DHADRP CCSc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000186269929 337255491 /nfs/dbraw/zinc/25/54/91/337255491.db2.gz ZKAJCNTZMATLCS-AEFFLSMTSA-N 2 0 304.503 3.715 20 0 DHADRP CC(C)OC1CC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000186550956 337257437 /nfs/dbraw/zinc/25/74/37/337257437.db2.gz AYGITLHOEAGRMJ-FVPXHTFXSA-N 2 0 316.489 3.585 20 0 DHADRP Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C)n1 ZINC000187319695 337264090 /nfs/dbraw/zinc/26/40/90/337264090.db2.gz CDHQAXHBPVIUOB-UHFFFAOYSA-N 2 0 315.505 3.786 20 0 DHADRP c1ccc(C[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000321644154 337281183 /nfs/dbraw/zinc/28/11/83/337281183.db2.gz WUUXIQOSNUPDBQ-PZJWPPBQSA-N 2 0 306.453 3.797 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000459784596 337285097 /nfs/dbraw/zinc/28/50/97/337285097.db2.gz OBVUNWBUENGSOS-SLTAFYQDSA-N 2 0 306.416 3.677 20 0 DHADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190941613 337291552 /nfs/dbraw/zinc/29/15/52/337291552.db2.gz OVQJATXBZPIQMF-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CCN(C)c1ccc(CNc2cc(C[NH+](C)C)ccc2C)cn1 ZINC000191441726 337297067 /nfs/dbraw/zinc/29/70/67/337297067.db2.gz UAXKPTHGUNMSQP-UHFFFAOYSA-N 2 0 312.461 3.520 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125116317 337409523 /nfs/dbraw/zinc/40/95/23/337409523.db2.gz NXHFPKDDSUBNLP-KRWDZBQOSA-N 2 0 304.478 3.577 20 0 DHADRP CCOCc1ccccc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000262331215 337443949 /nfs/dbraw/zinc/44/39/49/337443949.db2.gz SKYKFRHDDXPGJF-VQIMIIECSA-N 2 0 304.478 3.624 20 0 DHADRP COC1(C[C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)CCC1 ZINC000429414902 337475132 /nfs/dbraw/zinc/47/51/32/337475132.db2.gz GVLUHQNGWBYIAJ-KRWDZBQOSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H](CCNC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000419689771 337491367 /nfs/dbraw/zinc/49/13/67/337491367.db2.gz UHZCSPVVBWILRK-SFHVURJKSA-N 2 0 321.553 3.638 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000429447654 337492171 /nfs/dbraw/zinc/49/21/71/337492171.db2.gz JXARPQCPTBZHBG-CRAIPNDOSA-N 2 0 302.462 3.610 20 0 DHADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000420364496 337499833 /nfs/dbraw/zinc/49/98/33/337499833.db2.gz CXENCIYJKLJTTN-DZGCQCFKSA-N 2 0 312.404 3.718 20 0 DHADRP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420374961 337500141 /nfs/dbraw/zinc/50/01/41/337500141.db2.gz OLACIQUJSHNSFP-SWLSCSKDSA-N 2 0 318.358 3.799 20 0 DHADRP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420374959 337500195 /nfs/dbraw/zinc/50/01/95/337500195.db2.gz OLACIQUJSHNSFP-IUODEOHRSA-N 2 0 318.358 3.799 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420402644 337500663 /nfs/dbraw/zinc/50/06/63/337500663.db2.gz KDRKQWINOFYTJD-BLLLJJGKSA-N 2 0 312.379 3.746 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000420407246 337500696 /nfs/dbraw/zinc/50/06/96/337500696.db2.gz OHVNBJSDGHDNOQ-CHWSQXEVSA-N 2 0 300.368 3.746 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCC1CC[NH+](C)CC1 ZINC000421825548 337646488 /nfs/dbraw/zinc/64/64/88/337646488.db2.gz OECSQDMAIQRDCP-CYBMUJFWSA-N 2 0 312.860 3.732 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000422690478 337683382 /nfs/dbraw/zinc/68/33/82/337683382.db2.gz GIXRYHXPCBYSLD-WCQYABFASA-N 2 0 303.837 3.914 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422699908 337683435 /nfs/dbraw/zinc/68/34/35/337683435.db2.gz FJZQRIMMIAVFFY-CYBMUJFWSA-N 2 0 314.395 3.844 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422704386 337683603 /nfs/dbraw/zinc/68/36/03/337683603.db2.gz KMIXEDQQFXJMFU-OAHLLOKOSA-N 2 0 311.473 3.786 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000422719544 337684075 /nfs/dbraw/zinc/68/40/75/337684075.db2.gz YQANPIXCQGYVSH-ZBFHGGJFSA-N 2 0 311.473 3.866 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000422736351 337684527 /nfs/dbraw/zinc/68/45/27/337684527.db2.gz WALQTMLXAWZUNL-XIKARTHZSA-N 2 0 300.368 3.874 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422734162 337684537 /nfs/dbraw/zinc/68/45/37/337684537.db2.gz SCUNBVMFGKEJPE-UWVGGRQHSA-N 2 0 323.239 3.537 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422754314 337685056 /nfs/dbraw/zinc/68/50/56/337685056.db2.gz GVKAESATSHEBNH-OZOXKJRCSA-N 2 0 322.452 3.636 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(OC)cc1 ZINC000422769815 337685803 /nfs/dbraw/zinc/68/58/03/337685803.db2.gz UBRVIBPUMDXMGD-LIRRHRJNSA-N 2 0 313.445 3.659 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)C1 ZINC000422774725 337685998 /nfs/dbraw/zinc/68/59/98/337685998.db2.gz YGLREJQTRGWSLA-CVZQNNRQSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000422743007 337686852 /nfs/dbraw/zinc/68/68/52/337686852.db2.gz SSCODFHTILUPKR-UYAOXDASSA-N 2 0 317.521 3.567 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+][C@@H](C)CCCC[NH3+])s2)cs1 ZINC000422800205 337687080 /nfs/dbraw/zinc/68/70/80/337687080.db2.gz ZNVIMCWXNWVKAR-LBPRGKRZSA-N 2 0 323.531 3.830 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422814955 337687926 /nfs/dbraw/zinc/68/79/26/337687926.db2.gz WNWOTGSJWANSHT-QEEHTWDDSA-N 2 0 314.473 3.801 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422820600 337688003 /nfs/dbraw/zinc/68/80/03/337688003.db2.gz RJZIEVFWRQINEA-DZJNRPSUSA-N 2 0 306.519 3.599 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000422826924 337688306 /nfs/dbraw/zinc/68/83/06/337688306.db2.gz RNUYSJIJPNXGOB-VWYCJHECSA-N 2 0 317.296 3.549 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422852428 337688980 /nfs/dbraw/zinc/68/89/80/337688980.db2.gz ANOXBOSDGQLFRA-IRXDYDNUSA-N 2 0 312.457 3.619 20 0 DHADRP c1ccc(SC2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422909700 337691004 /nfs/dbraw/zinc/69/10/04/337691004.db2.gz OTQXKNMFYVWNBA-KZNAEPCWSA-N 2 0 316.514 3.822 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000422913876 337691043 /nfs/dbraw/zinc/69/10/43/337691043.db2.gz RATISLINRCHPCR-QRWLVFNGSA-N 2 0 309.457 3.521 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000422924956 337691739 /nfs/dbraw/zinc/69/17/39/337691739.db2.gz ZLTOFRNXJJEYPN-SRHKJQAYSA-N 2 0 315.244 3.534 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939428 337692497 /nfs/dbraw/zinc/69/24/97/337692497.db2.gz RMDCIIFFEKUCPN-FXAWDEMLSA-N 2 0 324.468 3.710 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422939237 337692553 /nfs/dbraw/zinc/69/25/53/337692553.db2.gz IAJOFHUUFBTPDI-TZMCWYRMSA-N 2 0 301.261 3.643 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422942985 337692842 /nfs/dbraw/zinc/69/28/42/337692842.db2.gz LBTHZISHANMNSK-RTCWVUPZSA-N 2 0 318.464 3.753 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000422944595 337692974 /nfs/dbraw/zinc/69/29/74/337692974.db2.gz ZYOSBUVNAULDKG-SGTLLEGYSA-N 2 0 315.848 3.840 20 0 DHADRP CC(C)C[C@H](C)Oc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccn1 ZINC000422979967 337693487 /nfs/dbraw/zinc/69/34/87/337693487.db2.gz OBUXNORZIYATAC-HJOIGYKYSA-N 2 0 319.493 3.502 20 0 DHADRP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)nc1 ZINC000422994956 337694135 /nfs/dbraw/zinc/69/41/35/337694135.db2.gz JAGLXBYZMBHJNB-CEWLAPEOSA-N 2 0 321.468 3.759 20 0 DHADRP CC(C)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423002455 337694185 /nfs/dbraw/zinc/69/41/85/337694185.db2.gz ZAANNPRCIZDRES-XHDPSFHLSA-N 2 0 300.368 3.600 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422956530 337694769 /nfs/dbraw/zinc/69/47/69/337694769.db2.gz PWWJQHJHECTKJF-YZVOILCLSA-N 2 0 310.441 3.893 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000422956663 337694822 /nfs/dbraw/zinc/69/48/22/337694822.db2.gz QBUQMFNOHCDRRF-LLVKDONJSA-N 2 0 321.827 3.535 20 0 DHADRP c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422962146 337695105 /nfs/dbraw/zinc/69/51/05/337695105.db2.gz DZSVELHIXATYEJ-FUHIMQAGSA-N 2 0 324.424 3.503 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423028229 337696209 /nfs/dbraw/zinc/69/62/09/337696209.db2.gz SJHGJKVSAHTJNG-IYOUNJFTSA-N 2 0 317.864 3.734 20 0 DHADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423026066 337696238 /nfs/dbraw/zinc/69/62/38/337696238.db2.gz MXXJGFYMWDQKPL-SLFFLAALSA-N 2 0 315.505 3.779 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]1C ZINC000423040917 337696824 /nfs/dbraw/zinc/69/68/24/337696824.db2.gz VIBFFMKNKWQGIX-CVZQNNRQSA-N 2 0 314.473 3.657 20 0 DHADRP Fc1ccc(C2=CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423048485 337697226 /nfs/dbraw/zinc/69/72/26/337697226.db2.gz WMGMHRNLPQBNAX-KAKFPZCNSA-N 2 0 300.421 3.634 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423057626 337697605 /nfs/dbraw/zinc/69/76/05/337697605.db2.gz HNVSNTQXVGIHJJ-XJKCOSOUSA-N 2 0 314.395 3.787 20 0 DHADRP COCCC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCCCC1 ZINC000423058169 337697652 /nfs/dbraw/zinc/69/76/52/337697652.db2.gz BLQZJWRUQSMDPR-PKOBYXMFSA-N 2 0 318.505 3.522 20 0 DHADRP Fc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)c(F)c1 ZINC000423059972 337697733 /nfs/dbraw/zinc/69/77/33/337697733.db2.gz HAPICCDIFSLJSA-XYPWUTKMSA-N 2 0 320.427 3.649 20 0 DHADRP COCCC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCCCC1 ZINC000423058168 337697741 /nfs/dbraw/zinc/69/77/41/337697741.db2.gz BLQZJWRUQSMDPR-MJGOQNOKSA-N 2 0 318.505 3.522 20 0 DHADRP Cn1cc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c2ccc(Cl)cc21 ZINC000423058036 337697746 /nfs/dbraw/zinc/69/77/46/337697746.db2.gz BJFWTXZFECUNHI-IRXDYDNUSA-N 2 0 319.880 3.624 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCC2(CC2)CC1 ZINC000423070029 337698242 /nfs/dbraw/zinc/69/82/42/337698242.db2.gz CBNXBGJBJCVIHG-XLIONFOSSA-N 2 0 312.457 3.555 20 0 DHADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000423085068 337698791 /nfs/dbraw/zinc/69/87/91/337698791.db2.gz JFRBTRYHCNTUGK-IPMKNSEASA-N 2 0 316.489 3.583 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423093739 337699186 /nfs/dbraw/zinc/69/91/86/337699186.db2.gz AFZMDSFYVWDMMF-WFGGJUAMSA-N 2 0 313.272 3.956 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423098536 337699323 /nfs/dbraw/zinc/69/93/23/337699323.db2.gz SCQIUBXCDNWTQZ-ZCHDIUTGSA-N 2 0 310.844 3.645 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423138768 337701317 /nfs/dbraw/zinc/70/13/17/337701317.db2.gz TZXKLKUMYGMHDD-UAOJZALGSA-N 2 0 309.457 3.693 20 0 DHADRP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423160079 337701927 /nfs/dbraw/zinc/70/19/27/337701927.db2.gz GUJMOTKSKVZMPL-LRQRDZAKSA-N 2 0 322.452 3.902 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)c(F)c1 ZINC000423212653 337704515 /nfs/dbraw/zinc/70/45/15/337704515.db2.gz IWYFRYBMUJZFFL-GCVQQVDUSA-N 2 0 315.230 3.509 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423212719 337704588 /nfs/dbraw/zinc/70/45/88/337704588.db2.gz MEGVRDFAWPUVKL-KYJSFNMBSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423226732 337705833 /nfs/dbraw/zinc/70/58/33/337705833.db2.gz RZIOTJHVYDWLRP-QWRGUYRKSA-N 2 0 306.397 3.729 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000423246453 337707122 /nfs/dbraw/zinc/70/71/22/337707122.db2.gz KBYQKXJHSPARKF-LESCRADOSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423246836 337707129 /nfs/dbraw/zinc/70/71/29/337707129.db2.gz KIDXWPYSHWYBDL-ZWKOTPCHSA-N 2 0 324.468 3.916 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000423252105 337707557 /nfs/dbraw/zinc/70/75/57/337707557.db2.gz TXMVLFNBBQKNIS-ROUUACIJSA-N 2 0 308.469 3.796 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000423253262 337707574 /nfs/dbraw/zinc/70/75/74/337707574.db2.gz VPXIVAZOWOHUMB-HOTGVXAUSA-N 2 0 324.896 3.785 20 0 DHADRP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254841 337707759 /nfs/dbraw/zinc/70/77/59/337707759.db2.gz ZRVZVDUMSWISAL-XJKSGUPXSA-N 2 0 300.471 3.868 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423255544 337707765 /nfs/dbraw/zinc/70/77/65/337707765.db2.gz CDQIUQFXHZAYKE-KKUMJFAQSA-N 2 0 317.502 3.768 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423259583 337707812 /nfs/dbraw/zinc/70/78/12/337707812.db2.gz OIUMIGFWGFURSQ-CVEARBPZSA-N 2 0 312.457 3.889 20 0 DHADRP Clc1cccc2c1OCCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423260064 337707867 /nfs/dbraw/zinc/70/78/67/337707867.db2.gz PHOFJCAEQSJFMY-XJKSGUPXSA-N 2 0 308.853 3.533 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423269889 337708313 /nfs/dbraw/zinc/70/83/13/337708313.db2.gz HGDKREYAHDJWLF-ZUJMUWTESA-N 2 0 306.416 3.723 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423284639 337709313 /nfs/dbraw/zinc/70/93/13/337709313.db2.gz YPGKFAOPCUTZPO-GHMZBOCLSA-N 2 0 309.504 3.686 20 0 DHADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](C)C[NH3+])CCC3)cc1 ZINC000423296125 337710697 /nfs/dbraw/zinc/71/06/97/337710697.db2.gz GEURHPMRICMBOB-ZFWWWQNUSA-N 2 0 315.486 3.680 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000423295315 337710754 /nfs/dbraw/zinc/71/07/54/337710754.db2.gz WLNIHMZGIMLGCY-CHWSQXEVSA-N 2 0 302.393 3.705 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000423296750 337710967 /nfs/dbraw/zinc/71/09/67/337710967.db2.gz ZQYGKLDNEZTFKF-BMIGLBTASA-N 2 0 320.358 3.901 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C[C@H]3C)cs2)cs1 ZINC000423362527 337714475 /nfs/dbraw/zinc/71/44/75/337714475.db2.gz BDCRVSNSMZYOIL-SUNKGSAMSA-N 2 0 321.515 3.829 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(OCc2ccccc2)c1 ZINC000423364591 337714694 /nfs/dbraw/zinc/71/46/94/337714694.db2.gz CKBACFGMNAYJOK-WWMYMODYSA-N 2 0 324.468 3.914 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000423398453 337715668 /nfs/dbraw/zinc/71/56/68/337715668.db2.gz OYQUVDGJIUUISH-UWVAXJGDSA-N 2 0 308.469 3.795 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423430378 337715911 /nfs/dbraw/zinc/71/59/11/337715911.db2.gz UJKIAFGGNOFDLU-WKKSIBQESA-N 2 0 316.489 3.542 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423405839 337715952 /nfs/dbraw/zinc/71/59/52/337715952.db2.gz UBLZCEGIYITBAK-ZENOOKHLSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423377804 337717511 /nfs/dbraw/zinc/71/75/11/337717511.db2.gz KJSFJLKKTDVVLF-PMPSAXMXSA-N 2 0 313.489 3.954 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CCCO2 ZINC000423383794 337717855 /nfs/dbraw/zinc/71/78/55/337717855.db2.gz FGTHOVIEATZQQO-FHLIZLRMSA-N 2 0 302.462 3.611 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423391808 337718319 /nfs/dbraw/zinc/71/83/19/337718319.db2.gz LBKXXJAEHVDJAN-SIUPPRGNSA-N 2 0 306.881 3.954 20 0 DHADRP COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000423394331 337718557 /nfs/dbraw/zinc/71/85/57/337718557.db2.gz RFRPHHIGYIYGLZ-HXUWFJFHSA-N 2 0 310.441 3.785 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423393103 337718626 /nfs/dbraw/zinc/71/86/26/337718626.db2.gz QJIUYGRVFWZHLJ-XIRDDKMYSA-N 2 0 320.477 3.795 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1OC(F)F ZINC000423433246 337718906 /nfs/dbraw/zinc/71/89/06/337718906.db2.gz WSVWRWOCABKXMG-IHRRRGAJSA-N 2 0 312.404 3.704 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])sc1Br ZINC000423443984 337719535 /nfs/dbraw/zinc/71/95/35/337719535.db2.gz WCKMUIWAKOLPSX-MNOVXSKESA-N 2 0 319.312 3.987 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423452598 337720085 /nfs/dbraw/zinc/72/00/85/337720085.db2.gz JWQPDXXUMCXBHI-XHDPSFHLSA-N 2 0 311.267 3.544 20 0 DHADRP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cs2)cs1 ZINC000423454244 337720293 /nfs/dbraw/zinc/72/02/93/337720293.db2.gz LKQCZZCBBJBDEW-WDEREUQCSA-N 2 0 309.504 3.958 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423456425 337720403 /nfs/dbraw/zinc/72/04/03/337720403.db2.gz NOQNXGZMVXDZHD-STQMWFEESA-N 2 0 302.384 3.744 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423455920 337720416 /nfs/dbraw/zinc/72/04/16/337720416.db2.gz GDKGFAHRYASJNC-LZLYRXPVSA-N 2 0 304.478 3.890 20 0 DHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423460436 337720533 /nfs/dbraw/zinc/72/05/33/337720533.db2.gz BGRIJBPTWRHCJX-RYRKJORJSA-N 2 0 306.519 3.910 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000423461727 337720622 /nfs/dbraw/zinc/72/06/22/337720622.db2.gz OFXFJKXBWGXMDZ-DJSGYFEHSA-N 2 0 323.278 3.544 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423469754 337721039 /nfs/dbraw/zinc/72/10/39/337721039.db2.gz VUIRWUDSGXXOPY-IACUBPJLSA-N 2 0 309.523 3.917 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1SC ZINC000423470553 337721139 /nfs/dbraw/zinc/72/11/39/337721139.db2.gz WNYCNEBGOULAPL-GUTXKFCHSA-N 2 0 308.491 3.585 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1nc(-c2ccccc2)cs1 ZINC000423473299 337721333 /nfs/dbraw/zinc/72/13/33/337721333.db2.gz GRVRVCGYWHIZLW-GOEBONIOSA-N 2 0 315.486 3.993 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423472782 337721335 /nfs/dbraw/zinc/72/13/35/337721335.db2.gz GEECDXDBXGFPBW-DOMZBBRYSA-N 2 0 311.267 3.632 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)c2cccc(Br)c21 ZINC000423494188 337722770 /nfs/dbraw/zinc/72/27/70/337722770.db2.gz RXDSASBTPLSAAF-YXMPFFBPSA-N 2 0 323.278 3.714 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000423494987 337722775 /nfs/dbraw/zinc/72/27/75/337722775.db2.gz TUPAYDQKRYXATC-IVZWLZJFSA-N 2 0 305.224 3.911 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000423494953 337722806 /nfs/dbraw/zinc/72/28/06/337722806.db2.gz SXRGWYDUHZPESY-UGFHNGPFSA-N 2 0 311.267 3.617 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)sc1Br ZINC000423506101 337723730 /nfs/dbraw/zinc/72/37/30/337723730.db2.gz MDMVMLFPYYQLHW-AXFHLTTASA-N 2 0 317.296 3.597 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423480997 337724760 /nfs/dbraw/zinc/72/47/60/337724760.db2.gz WLPWKCFCJHKBAH-UMVBOHGHSA-N 2 0 314.395 3.744 20 0 DHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423537571 337724966 /nfs/dbraw/zinc/72/49/66/337724966.db2.gz DEIOSKKHHCJCSN-WBOJAVRRSA-N 2 0 320.864 3.531 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423481432 337724977 /nfs/dbraw/zinc/72/49/77/337724977.db2.gz WOQDWJMTVAUCEJ-DLBZAZTESA-N 3 0 323.569 3.773 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1CC1 ZINC000423537535 337725022 /nfs/dbraw/zinc/72/50/22/337725022.db2.gz KINWQZPEOHPFCA-GOSISDBHSA-N 2 0 304.865 3.561 20 0 DHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538362 337725076 /nfs/dbraw/zinc/72/50/76/337725076.db2.gz MMGFRFWBBIAERA-WMZOPIPTSA-N 2 0 304.865 3.876 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423539256 337725104 /nfs/dbraw/zinc/72/51/04/337725104.db2.gz IAGAVRMKASXDPQ-PHAGKYIGSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423541671 337725206 /nfs/dbraw/zinc/72/52/06/337725206.db2.gz LHGLRIOHHACTON-HYUSYPKPSA-N 2 0 306.881 3.810 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423542701 337725271 /nfs/dbraw/zinc/72/52/71/337725271.db2.gz MNSOFKQCGSOCGU-BYNSBNAKSA-N 2 0 324.415 3.635 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC000423547622 337725419 /nfs/dbraw/zinc/72/54/19/337725419.db2.gz QBTCLQDGNVWWSN-VVLHAWIVSA-N 2 0 324.468 3.887 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423548283 337725430 /nfs/dbraw/zinc/72/54/30/337725430.db2.gz MKXLDKZYWIIBTR-GDAAHCPNSA-N 2 0 316.489 3.904 20 0 DHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000423548885 337725449 /nfs/dbraw/zinc/72/54/49/337725449.db2.gz NATSCAQPZJAAGW-LLLOQXOTSA-N 2 0 318.892 3.954 20 0 DHADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423551628 337725498 /nfs/dbraw/zinc/72/54/98/337725498.db2.gz JERMTUZZNIZOMG-AWEZNQCLSA-N 2 0 324.415 3.509 20 0 DHADRP Cc1cc(C)cc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000536855427 337746111 /nfs/dbraw/zinc/74/61/11/337746111.db2.gz AFNUXUHUQKTUQT-QRVBRYPASA-N 2 0 318.505 3.843 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000044515455 337810121 /nfs/dbraw/zinc/81/01/21/337810121.db2.gz SPIINIYAWZDOMD-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369585 337827754 /nfs/dbraw/zinc/82/77/54/337827754.db2.gz RIWMLTQVNAVKBO-DAXOMENPSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000537286076 337928110 /nfs/dbraw/zinc/92/81/10/337928110.db2.gz FTBYKNOKZYPLKH-QGZVFWFLSA-N 2 0 300.490 3.862 20 0 DHADRP c1ncc(C[NH+]2CCCCCC2)cc1C[NH+]1CCCCCC1 ZINC000515594503 337993691 /nfs/dbraw/zinc/99/36/91/337993691.db2.gz LNBBKKPKXMPFPH-UHFFFAOYSA-N 2 0 301.478 3.834 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000516210121 338007457 /nfs/dbraw/zinc/00/74/57/338007457.db2.gz ANUHEDXMGPCGRH-BJLQDIEVSA-N 2 0 323.569 3.740 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000425949348 338019158 /nfs/dbraw/zinc/01/91/58/338019158.db2.gz FLLPPQGIVYSDJW-KBPBESRZSA-N 2 0 316.411 3.814 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000426314412 338026538 /nfs/dbraw/zinc/02/65/38/338026538.db2.gz XEZHBKDKIFWQQD-JENIJYKNSA-N 2 0 302.506 3.899 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000426318844 338026722 /nfs/dbraw/zinc/02/67/22/338026722.db2.gz SQPBEVKSMDZHQB-ROUUACIJSA-N 2 0 300.490 3.797 20 0 DHADRP Cc1nc2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2s1 ZINC000426411668 338031118 /nfs/dbraw/zinc/03/11/18/338031118.db2.gz MWFPTIUWNLQSHX-DOTOQJQBSA-N 2 0 315.486 3.521 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429143681 338071899 /nfs/dbraw/zinc/07/18/99/338071899.db2.gz RMWQERNZVXDCTI-NVXWUHKLSA-N 2 0 324.921 3.991 20 0 DHADRP Cc1ccoc1CN(C)CC(C)C[N@H+](C)Cc1occc1C ZINC000429403821 338079799 /nfs/dbraw/zinc/07/97/99/338079799.db2.gz UCZCSFRCBXSOCL-UHFFFAOYSA-N 2 0 304.434 3.689 20 0 DHADRP C[NH+](C)[C@@H]1CCCN(CCSc2ccc(Cl)cc2)CC1 ZINC000429542059 338083376 /nfs/dbraw/zinc/08/33/76/338083376.db2.gz XGEWQCHBCLWCPS-OAHLLOKOSA-N 2 0 312.910 3.848 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](CCOc2cccc3ccccc32)CC1 ZINC000429543422 338083556 /nfs/dbraw/zinc/08/35/56/338083556.db2.gz WBDVLZXRCYJOSV-SFHVURJKSA-N 2 0 312.457 3.635 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC000430100202 338096569 /nfs/dbraw/zinc/09/65/69/338096569.db2.gz LKRISWULSOFPOL-GOSISDBHSA-N 2 0 310.445 3.586 20 0 DHADRP CSC[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000430195446 338100744 /nfs/dbraw/zinc/10/07/44/338100744.db2.gz INAFPKBAVLJBJX-ZDUSSCGKSA-N 2 0 307.488 3.509 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430922666 338118949 /nfs/dbraw/zinc/11/89/49/338118949.db2.gz BUYQYMGDKNQJDX-LBPRGKRZSA-N 2 0 319.836 3.554 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000430956344 338119325 /nfs/dbraw/zinc/11/93/25/338119325.db2.gz KIDHBMRDJJKYBS-GFCCVEGCSA-N 2 0 319.449 3.508 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432249811 338150665 /nfs/dbraw/zinc/15/06/65/338150665.db2.gz HNDCMFPSAJXZMA-UHFFFAOYSA-N 2 0 307.290 3.876 20 0 DHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCCc3ccccc32)CCCO1 ZINC000432416929 338155646 /nfs/dbraw/zinc/15/56/46/338155646.db2.gz STPYCYQGOKHQGP-XLIONFOSSA-N 2 0 316.489 3.545 20 0 DHADRP C[N@@H+](Cc1ccc(F)c(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC000432748111 338166127 /nfs/dbraw/zinc/16/61/27/338166127.db2.gz RWEVBGFDNNMOFK-UHFFFAOYSA-N 2 0 319.251 3.906 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)ccc2c1 ZINC000432795783 338168227 /nfs/dbraw/zinc/16/82/27/338168227.db2.gz YXWZNQOPJPECNP-IBGZPJMESA-N 2 0 312.457 3.765 20 0 DHADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000432797172 338168273 /nfs/dbraw/zinc/16/82/73/338168273.db2.gz DCETXPQXBSOUDS-HXUWFJFHSA-N 2 0 309.457 3.665 20 0 DHADRP CC(C)N1CCc2nc(C[NH2+]C3CCC4(CC4)CC3)sc2C1 ZINC000434771913 338225175 /nfs/dbraw/zinc/22/51/75/338225175.db2.gz AYWMIJXQCLECBS-UHFFFAOYSA-N 2 0 319.518 3.722 20 0 DHADRP Cc1ccsc1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435372895 338238242 /nfs/dbraw/zinc/23/82/42/338238242.db2.gz SWPOFHPBTMFNEL-KRWDZBQOSA-N 2 0 315.486 3.596 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000435381863 338238367 /nfs/dbraw/zinc/23/83/67/338238367.db2.gz YJUIYQHVPLTWLE-DFQSSKMNSA-N 2 0 322.452 3.531 20 0 DHADRP CC[N@H+](Cc1ccc(Cl)c2cccnc12)[C@H]1CCC[NH2+]CC1 ZINC000435625037 338243737 /nfs/dbraw/zinc/24/37/37/338243737.db2.gz GZHXEFHXZINSGH-HNNXBMFYSA-N 2 0 317.864 3.852 20 0 DHADRP COCCC1(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000436270010 338264569 /nfs/dbraw/zinc/26/45/69/338264569.db2.gz MXOGRBZORRQGNG-SFHVURJKSA-N 2 0 310.526 3.828 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436273213 338264863 /nfs/dbraw/zinc/26/48/63/338264863.db2.gz ISSWZLPVQVPGPC-UHFFFAOYSA-N 2 0 317.452 3.909 20 0 DHADRP CC(C)(C)[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000436283514 338265803 /nfs/dbraw/zinc/26/58/03/338265803.db2.gz LPKNWEACSVZTCD-LJQANCHMSA-N 2 0 321.553 3.636 20 0 DHADRP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCC1 ZINC000436301486 338267660 /nfs/dbraw/zinc/26/76/60/338267660.db2.gz ZGQPVDKCGSIKQQ-SJLPKXTDSA-N 2 0 308.510 3.721 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436303017 338267784 /nfs/dbraw/zinc/26/77/84/338267784.db2.gz BSVCDKOCFKIWTA-OAHLLOKOSA-N 2 0 317.452 3.765 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCSCC1 ZINC000436304833 338267838 /nfs/dbraw/zinc/26/78/38/338267838.db2.gz DZHAFTRKSBKJNN-QAPCUYQASA-N 2 0 310.551 3.905 20 0 DHADRP COCCC1(C[NH2+]CC2(C[NH+](C)C)CCCC2)CCCCC1 ZINC000436407174 338271142 /nfs/dbraw/zinc/27/11/42/338271142.db2.gz HIVKSKSPBGYWBF-UHFFFAOYSA-N 2 0 310.526 3.685 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000437799295 338321995 /nfs/dbraw/zinc/32/19/95/338321995.db2.gz LVUVPYCNJQWLIG-UYAOXDASSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000156050292 338329789 /nfs/dbraw/zinc/32/97/89/338329789.db2.gz AAQHPZVNNVJNOM-UWJYYQICSA-N 2 0 308.469 3.748 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000438085340 338330484 /nfs/dbraw/zinc/33/04/84/338330484.db2.gz BLDCFWDLEVUGMZ-SJORKVTESA-N 2 0 306.469 3.858 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000438090838 338331054 /nfs/dbraw/zinc/33/10/54/338331054.db2.gz WGFXCZULJZIOFP-ROUUACIJSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000438117888 338333112 /nfs/dbraw/zinc/33/31/12/338333112.db2.gz MLDJSXHVJTWEJK-JBACZVJFSA-N 2 0 312.501 3.915 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000438121377 338333527 /nfs/dbraw/zinc/33/35/27/338333527.db2.gz OUECAFGJHLUFIM-OXFYSEKESA-N 2 0 316.464 3.878 20 0 DHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000439010939 338358413 /nfs/dbraw/zinc/35/84/13/338358413.db2.gz ZFUISIBBXHPHTD-RBUKOAKNSA-N 2 0 323.569 3.599 20 0 DHADRP Cc1ccccc1CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000440315555 338385269 /nfs/dbraw/zinc/38/52/69/338385269.db2.gz LCQVCXHOUJZAIJ-UHFFFAOYSA-N 2 0 300.490 3.735 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442779617 338430683 /nfs/dbraw/zinc/43/06/83/338430683.db2.gz MHPGRGSKBMHTAX-INIZCTEOSA-N 2 0 313.489 3.737 20 0 DHADRP Cc1cccc(CC[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446884088 338539331 /nfs/dbraw/zinc/53/93/31/338539331.db2.gz MKJFFCIYDQTROX-KRWDZBQOSA-N 2 0 300.490 3.780 20 0 DHADRP CC(C)COc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446889071 338539772 /nfs/dbraw/zinc/53/97/72/338539772.db2.gz RFCJYUZKMKPLJV-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1OC ZINC000447569120 338557563 /nfs/dbraw/zinc/55/75/63/338557563.db2.gz OCWWAZKLXVDTGY-GOSISDBHSA-N 2 0 302.462 3.610 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C12CCCCC2 ZINC000447568349 338557595 /nfs/dbraw/zinc/55/75/95/338557595.db2.gz JFDCEUMEBKYWKP-MOPGFXCFSA-N 2 0 320.521 3.578 20 0 DHADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000449069052 338590243 /nfs/dbraw/zinc/59/02/43/338590243.db2.gz VOKIGMHRGREYSF-YJBOKZPZSA-N 2 0 304.503 3.514 20 0 DHADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000449252337 338606950 /nfs/dbraw/zinc/60/69/50/338606950.db2.gz QIQNUJYRXKDNKN-LJQANCHMSA-N 2 0 301.478 3.856 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OC ZINC000449403694 338621377 /nfs/dbraw/zinc/62/13/77/338621377.db2.gz RBLIEONQHRDNGO-NBMJBFSESA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000449595275 338640338 /nfs/dbraw/zinc/64/03/38/338640338.db2.gz SOZGJOADYOCATP-UHFFFAOYSA-N 2 0 300.490 3.787 20 0 DHADRP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)O1 ZINC000453401788 338838705 /nfs/dbraw/zinc/83/87/05/338838705.db2.gz FCOSUHAOKIMOFA-RDJZCZTQSA-N 2 0 310.526 3.823 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000459361275 339024436 /nfs/dbraw/zinc/02/44/36/339024436.db2.gz FKRKISVHWGVYMX-WBVHZDCISA-N 2 0 312.448 3.761 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459395468 339026863 /nfs/dbraw/zinc/02/68/63/339026863.db2.gz YMYYBQKBUKUUIC-UHFFFAOYSA-N 2 0 323.484 3.926 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)[C@@H](C)C2 ZINC000459469390 339031069 /nfs/dbraw/zinc/03/10/69/339031069.db2.gz SENXVNNWYDNBQL-HRAATJIYSA-N 2 0 321.468 3.882 20 0 DHADRP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459500530 339032945 /nfs/dbraw/zinc/03/29/45/339032945.db2.gz CGFAUQUPWYJWNJ-OAHLLOKOSA-N 2 0 315.383 3.617 20 0 DHADRP c1cc(N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cc[nH+]1 ZINC000459515096 339033625 /nfs/dbraw/zinc/03/36/25/339033625.db2.gz GOOSPQOYMXKKDO-UHFFFAOYSA-N 2 0 307.441 3.718 20 0 DHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000459561114 339035809 /nfs/dbraw/zinc/03/58/09/339035809.db2.gz MHEOVFFWQRZMLM-YESZJQIVSA-N 2 0 301.478 3.855 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(C2CCCCC2)C1 ZINC000459584876 339037361 /nfs/dbraw/zinc/03/73/61/339037361.db2.gz AOLSHGWDNZUMOL-UHFFFAOYSA-N 2 0 310.445 3.588 20 0 DHADRP c1nc(C2CCCC2)sc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459656714 339040849 /nfs/dbraw/zinc/04/08/49/339040849.db2.gz GKXFHMRGZFXCEX-UHFFFAOYSA-N 2 0 312.442 3.738 20 0 DHADRP c1[nH+]cn2cc(C[NH2+]CCCCCOc3ccccc3)ccc12 ZINC000459661450 339041310 /nfs/dbraw/zinc/04/13/10/339041310.db2.gz QRDFRRIQKRBTSZ-UHFFFAOYSA-N 2 0 309.413 3.673 20 0 DHADRP COC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000459667629 339041748 /nfs/dbraw/zinc/04/17/48/339041748.db2.gz BGHMRFDYGLMLJQ-NHFHULPWSA-N 2 0 308.510 3.577 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C3CCCC3)s2)C1 ZINC000459723840 339044451 /nfs/dbraw/zinc/04/44/51/339044451.db2.gz DBAVNZVUICJZNS-CQSZACIVSA-N 2 0 307.507 3.622 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000459725157 339044511 /nfs/dbraw/zinc/04/45/11/339044511.db2.gz BAWNYMXPXFEEAU-NXVRBGIVSA-N 2 0 306.881 3.908 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000459725211 339044596 /nfs/dbraw/zinc/04/45/96/339044596.db2.gz ZHPNYIXQZSXXQK-UHFFFAOYSA-N 2 0 306.881 3.737 20 0 DHADRP CC(C)COc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459728472 339044756 /nfs/dbraw/zinc/04/47/56/339044756.db2.gz IBDMSEFSAAIONN-KRWDZBQOSA-N 2 0 304.478 3.543 20 0 DHADRP CC(C)COc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459780911 339048186 /nfs/dbraw/zinc/04/81/86/339048186.db2.gz LVVJMPBJKGGYEP-KRWDZBQOSA-N 2 0 304.478 3.543 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C12CCC2 ZINC000459782652 339048311 /nfs/dbraw/zinc/04/83/11/339048311.db2.gz MTPNEEDCSXDCDC-OQIJWPOYSA-N 2 0 320.521 3.577 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000462110414 339072310 /nfs/dbraw/zinc/07/23/10/339072310.db2.gz IGESLWAKPOZVBQ-DZGCQCFKSA-N 2 0 306.416 3.819 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000462481481 339079707 /nfs/dbraw/zinc/07/97/07/339079707.db2.gz AMIPTVFEMMAGBM-AEFFLSMTSA-N 2 0 309.457 3.772 20 0 DHADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000462748874 339086787 /nfs/dbraw/zinc/08/67/87/339086787.db2.gz GACGGKZPTRDJMH-UHFFFAOYSA-N 2 0 318.505 3.728 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000462786910 339088667 /nfs/dbraw/zinc/08/86/67/339088667.db2.gz FCISUKPAYSOGEH-VAMGGRTRSA-N 2 0 322.537 3.683 20 0 DHADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000462807872 339090502 /nfs/dbraw/zinc/09/05/02/339090502.db2.gz BROHUGYCFSWRDQ-KBAYOESNSA-N 2 0 306.881 3.653 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000463014136 339100487 /nfs/dbraw/zinc/10/04/87/339100487.db2.gz UFRKMKASLLFBDL-MOPGFXCFSA-N 2 0 322.537 3.965 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464081829 339133528 /nfs/dbraw/zinc/13/35/28/339133528.db2.gz KQQRBNAGFFVZMY-RBUKOAKNSA-N 2 0 300.490 3.890 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464081830 339133588 /nfs/dbraw/zinc/13/35/88/339133588.db2.gz KQQRBNAGFFVZMY-RTBURBONSA-N 2 0 300.490 3.890 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)C1 ZINC000466347977 339200306 /nfs/dbraw/zinc/20/03/06/339200306.db2.gz UTZAHIHOJBATPY-SCTDSRPQSA-N 2 0 320.521 3.578 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000467305297 339230707 /nfs/dbraw/zinc/23/07/07/339230707.db2.gz RHKUEPVTZUWWBT-KSSFIOAISA-N 2 0 322.468 3.922 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(C)C)cc2)[C@H](C)C1 ZINC000468839005 339272315 /nfs/dbraw/zinc/27/23/15/339272315.db2.gz DNHFPFOPBUJJHJ-XLIONFOSSA-N 2 0 318.505 3.584 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000468961190 339276091 /nfs/dbraw/zinc/27/60/91/339276091.db2.gz MDRNEEORLWOQRE-WMLDXEAASA-N 2 0 308.897 3.938 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@@H]21 ZINC000469871227 339303279 /nfs/dbraw/zinc/30/32/79/339303279.db2.gz LJQKBPKXVCRIIW-FFZOFVMBSA-N 2 0 314.473 3.567 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OC3CCCC3)C[C@@H]21 ZINC000469871989 339303304 /nfs/dbraw/zinc/30/33/04/339303304.db2.gz JHYHYIAWYGIZNZ-ZYSHUDEJSA-N 2 0 314.473 3.567 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000469982144 339306861 /nfs/dbraw/zinc/30/68/61/339306861.db2.gz MUGYVWPJJVQQHC-PMACEKPBSA-N 2 0 300.490 3.769 20 0 DHADRP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@H](C[NH2+]C)C3)ccc21 ZINC000470010379 339308483 /nfs/dbraw/zinc/30/84/83/339308483.db2.gz WQZJWDNRLXZOQF-QGZVFWFLSA-N 2 0 321.468 3.856 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000470254087 339315454 /nfs/dbraw/zinc/31/54/54/339315454.db2.gz IIUYJUDZGBRBOK-XQLPTFJDSA-N 2 0 306.416 3.675 20 0 DHADRP C[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000470364310 339318286 /nfs/dbraw/zinc/31/82/86/339318286.db2.gz UOISKKYJZQKLSQ-JKSUJKDBSA-N 2 0 324.896 3.534 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCC1CC[NH+](C)CC1 ZINC000474029924 339397767 /nfs/dbraw/zinc/39/77/67/339397767.db2.gz GOAHTWPWUJNEGD-IBGZPJMESA-N 2 0 316.489 3.739 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000474032211 339397835 /nfs/dbraw/zinc/39/78/35/339397835.db2.gz JJOAHMFUPKEXEB-HNNXBMFYSA-N 2 0 302.453 3.912 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000474052672 339399355 /nfs/dbraw/zinc/39/93/55/339399355.db2.gz BPTXLAFIQJAIDL-CLCXKQKWSA-N 2 0 316.489 3.880 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000474052851 339399435 /nfs/dbraw/zinc/39/94/35/339399435.db2.gz NMNRQYVPUAENFK-IPMKNSEASA-N 2 0 310.526 3.683 20 0 DHADRP C(CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)CC[NH+]1CCCCC1 ZINC000474054813 339399549 /nfs/dbraw/zinc/39/95/49/339399549.db2.gz JTOGGEZLGRMYBY-VAMGGRTRSA-N 2 0 322.537 3.828 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000474057037 339399626 /nfs/dbraw/zinc/39/96/26/339399626.db2.gz VXYJYPRLOQMVMT-USYVTKNRSA-N 2 0 322.537 3.539 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000474473524 339416343 /nfs/dbraw/zinc/41/63/43/339416343.db2.gz JSXVKWXMAOQXIO-IRXDYDNUSA-N 2 0 304.478 3.653 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000475575972 339456306 /nfs/dbraw/zinc/45/63/06/339456306.db2.gz UIPLNOINWOFKHY-DNDYEEKYSA-N 2 0 304.400 3.714 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000479752130 339547654 /nfs/dbraw/zinc/54/76/54/339547654.db2.gz UGEMSXAOCXTNRM-MAUKXSAKSA-N 2 0 304.478 3.783 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000479864090 339551351 /nfs/dbraw/zinc/55/13/51/339551351.db2.gz HKNYSZCNDQXWKK-GJYPPUQNSA-N 2 0 304.478 3.856 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000482243164 339627219 /nfs/dbraw/zinc/62/72/19/339627219.db2.gz NRGRSJBPCVRWKH-GFCCVEGCSA-N 2 0 303.277 3.856 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500122525 340050719 /nfs/dbraw/zinc/05/07/19/340050719.db2.gz IVRVQDKAILCYRG-KGLIPLIRSA-N 2 0 314.395 3.692 20 0 DHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000500424243 340058121 /nfs/dbraw/zinc/05/81/21/340058121.db2.gz CRUGUAMVSCCXBX-SDNWHVSQSA-N 2 0 324.390 3.960 20 0 DHADRP COC1(C)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000500773436 340066963 /nfs/dbraw/zinc/06/69/63/340066963.db2.gz PMNDLNMNFCHRII-UHFFFAOYSA-N 2 0 318.505 3.646 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000501770103 340087814 /nfs/dbraw/zinc/08/78/14/340087814.db2.gz MLIWYGNTDQXTNS-UHFFFAOYSA-N 2 0 308.897 3.936 20 0 DHADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1Cl ZINC000501776462 340088554 /nfs/dbraw/zinc/08/85/54/340088554.db2.gz OFSCJERZGMUTJW-UHFFFAOYSA-N 2 0 324.896 3.902 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000502687307 340110638 /nfs/dbraw/zinc/11/06/38/340110638.db2.gz QATFIOXOFIOYLX-VJANTYMQSA-N 2 0 310.526 3.539 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CCc1ccccc1 ZINC000502761686 340113111 /nfs/dbraw/zinc/11/31/11/340113111.db2.gz AXOVJAIOWKJIMP-VQTJNVASSA-N 2 0 300.490 3.958 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503015888 340118736 /nfs/dbraw/zinc/11/87/36/340118736.db2.gz QZUODZVNXWSMGV-UXHICEINSA-N 2 0 324.468 3.520 20 0 DHADRP CCc1cc(OC)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000503949521 340138235 /nfs/dbraw/zinc/13/82/35/340138235.db2.gz RDRCTGSSJGGTPM-UHFFFAOYSA-N 2 0 304.478 3.562 20 0 DHADRP C/C(=C/c1ccccc1C(F)(F)F)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000503952421 340138374 /nfs/dbraw/zinc/13/83/74/340138374.db2.gz IQJLJWYHTOKBBI-DZKOEADISA-N 2 0 324.390 3.793 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000506865218 340203022 /nfs/dbraw/zinc/20/30/22/340203022.db2.gz DTAISEBNHAMVAG-UHFFFAOYSA-N 2 0 314.473 3.516 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)ccc1SC ZINC000507421666 340219015 /nfs/dbraw/zinc/21/90/15/340219015.db2.gz OJNTXAKABJMXEQ-CQSZACIVSA-N 2 0 322.518 3.800 20 0 DHADRP Cc1cccc(C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C2CC2)c1 ZINC000507443277 340219685 /nfs/dbraw/zinc/21/96/85/340219685.db2.gz MDHOJTDEKNPIKT-IBGZPJMESA-N 2 0 300.490 3.638 20 0 DHADRP COc1ccc([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C(C)C)cc1 ZINC000507483348 340222062 /nfs/dbraw/zinc/22/20/62/340222062.db2.gz RIWDHOFWLRMJKC-GOSISDBHSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCOC1 ZINC000507505273 340223011 /nfs/dbraw/zinc/22/30/11/340223011.db2.gz CWWSUBFMXWKZQS-ROUUACIJSA-N 2 0 308.510 3.580 20 0 DHADRP C[C@H](F)CC[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000509133596 340261925 /nfs/dbraw/zinc/26/19/25/340261925.db2.gz AOPMFIYSLUBJKD-MAUKXSAKSA-N 2 0 306.469 3.797 20 0 DHADRP C[C@@H](F)CC[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000509133595 340261932 /nfs/dbraw/zinc/26/19/32/340261932.db2.gz AOPMFIYSLUBJKD-CRAIPNDOSA-N 2 0 306.469 3.797 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000510343588 340296544 /nfs/dbraw/zinc/29/65/44/340296544.db2.gz AYFBYVCRNCQYML-FHERZECASA-N 2 0 306.881 3.908 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393959 340297804 /nfs/dbraw/zinc/29/78/04/340297804.db2.gz HMQFTGNEXNRDMU-LZQZEXGQSA-N 2 0 302.437 3.619 20 0 DHADRP CCC[NH+]1CCC(N(C)Cc2cccn2CCC(C)C)CC1 ZINC000510420511 340298902 /nfs/dbraw/zinc/29/89/02/340298902.db2.gz FGDFQDAAJHAJPA-UHFFFAOYSA-N 2 0 305.510 3.840 20 0 DHADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000510514179 340301477 /nfs/dbraw/zinc/30/14/77/340301477.db2.gz LEORHGWPHGEZOR-IBGZPJMESA-N 2 0 304.453 3.867 20 0 DHADRP CCCCN1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000510886065 340313815 /nfs/dbraw/zinc/31/38/15/340313815.db2.gz ARVSYGONGUFKOE-AEFFLSMTSA-N 2 0 304.478 3.567 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000303613438 340337888 /nfs/dbraw/zinc/33/78/88/340337888.db2.gz OUHQDICBFLFADF-QUCCMNQESA-N 2 0 300.490 3.816 20 0 DHADRP CC(C)(C[NH2+]C/C=C/c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000511794469 340338527 /nfs/dbraw/zinc/33/85/27/340338527.db2.gz FOXQVYHVBSNWIJ-AATRIKPKSA-N 2 0 308.416 3.690 20 0 DHADRP C[NH+](C)CC1(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CCCC1 ZINC000511910249 340342611 /nfs/dbraw/zinc/34/26/11/340342611.db2.gz IFIVZQNRLQVLSJ-WAYWQWQTSA-N 2 0 308.416 3.690 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000512022521 340345688 /nfs/dbraw/zinc/34/56/88/340345688.db2.gz GTRIUHHFYJAIEG-ONEGZZNKSA-N 2 0 308.416 3.690 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCC(F)(F)F)CC2)C1 ZINC000513030739 340389654 /nfs/dbraw/zinc/38/96/54/340389654.db2.gz VCXBZHKZYXNXGX-ZFWWWQNUSA-N 2 0 306.416 3.962 20 0 DHADRP COC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000513334098 340402852 /nfs/dbraw/zinc/40/28/52/340402852.db2.gz DWPWOXDPUAKRDS-KTLDDFEXSA-N 2 0 322.537 3.824 20 0 DHADRP COc1ccsc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000186110608 340508304 /nfs/dbraw/zinc/50/83/04/340508304.db2.gz YDFVJJPILHKUMV-HNNXBMFYSA-N 2 0 310.507 3.919 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000222437186 340536645 /nfs/dbraw/zinc/53/66/45/340536645.db2.gz BZYUKWJWYGBCQZ-KFWWJZLASA-N 2 0 306.416 3.819 20 0 DHADRP CCC[NH+]1CCC(NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000236793139 340665015 /nfs/dbraw/zinc/66/50/15/340665015.db2.gz RPBRBNKUAYOBAE-UHFFFAOYSA-N 2 0 321.553 3.639 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000123778954 340794875 /nfs/dbraw/zinc/79/48/75/340794875.db2.gz HYZADNPCYZYYFD-LSDHHAIUSA-N 2 0 310.457 3.995 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cncs2)cc1 ZINC000128683700 340907029 /nfs/dbraw/zinc/90/70/29/340907029.db2.gz LVIDGMIGWNEDBR-AWEZNQCLSA-N 2 0 303.475 3.836 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000542277850 341003189 /nfs/dbraw/zinc/00/31/89/341003189.db2.gz AFTJUPMMVMVLEC-KSSFIOAISA-N 2 0 306.881 3.991 20 0 DHADRP Cc1ccc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000542278919 341003283 /nfs/dbraw/zinc/00/32/83/341003283.db2.gz XBUVWPFJUMDUGG-HXUWFJFHSA-N 2 0 300.490 3.735 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(s1)CCCC2 ZINC000130169287 341004277 /nfs/dbraw/zinc/00/42/77/341004277.db2.gz IAAJMFNEVPUGDD-CWRNSKLLSA-N 2 0 304.503 3.904 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)[C@H](C)C1 ZINC000542474306 341008896 /nfs/dbraw/zinc/00/88/96/341008896.db2.gz BAVHYUGMLKESHF-VHPHOLNESA-N 2 0 310.526 3.538 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000543092887 341031482 /nfs/dbraw/zinc/03/14/82/341031482.db2.gz HBSMWVRVTMHDJF-LPHOPBHVSA-N 2 0 318.480 3.811 20 0 DHADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000543140706 341033762 /nfs/dbraw/zinc/03/37/62/341033762.db2.gz RLLGYUDPBUQOGF-GOSISDBHSA-N 2 0 306.881 3.991 20 0 DHADRP CCCC[NH+](CCCC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543394671 341041864 /nfs/dbraw/zinc/04/18/64/341041864.db2.gz XUVIITBVVCEVGI-UHFFFAOYSA-N 2 0 300.450 3.978 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000544021518 341066890 /nfs/dbraw/zinc/06/68/90/341066890.db2.gz XBDSHNKRLSLWDH-PKOBYXMFSA-N 2 0 318.480 3.955 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC[C@@H]21 ZINC000544145935 341072096 /nfs/dbraw/zinc/07/20/96/341072096.db2.gz OSAJXNHVACZFTO-FHLIZLRMSA-N 2 0 304.865 3.743 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000075835718 341185235 /nfs/dbraw/zinc/18/52/35/341185235.db2.gz NBJUHDKKMIBHOL-SFHVURJKSA-N 2 0 323.484 3.851 20 0 DHADRP C[C@@H](CCc1ccco1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000237358219 341212434 /nfs/dbraw/zinc/21/24/34/341212434.db2.gz OXZWSHWTAYYREU-KRWDZBQOSA-N 2 0 300.446 3.712 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CN1Cc1ccccc1 ZINC000237482720 341214799 /nfs/dbraw/zinc/21/47/99/341214799.db2.gz ZNEYEMBAOVMUOG-VQIMIIECSA-N 2 0 319.452 3.921 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000548155753 341249885 /nfs/dbraw/zinc/24/98/85/341249885.db2.gz QIBIQQYOMOKXHZ-HKUYNNGSSA-N 2 0 312.457 3.631 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000549042874 341284631 /nfs/dbraw/zinc/28/46/31/341284631.db2.gz WDRCDAXLNLXJRP-FQEVSTJZSA-N 2 0 318.505 3.818 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc3ccccc23)[C@@H](C)C1 ZINC000245422488 341292703 /nfs/dbraw/zinc/29/27/03/341292703.db2.gz IWUQOYPFHQWHIA-MGPUTAFESA-N 2 0 311.473 3.705 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000261543599 341296630 /nfs/dbraw/zinc/29/66/30/341296630.db2.gz DBRWLBZUTRKYRE-CTNGQTDRSA-N 2 0 324.468 3.525 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245581704 341303348 /nfs/dbraw/zinc/30/33/48/341303348.db2.gz HTSWIVVQTBUCSU-KHIZAZIESA-N 2 0 310.844 3.860 20 0 DHADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549839917 341304635 /nfs/dbraw/zinc/30/46/35/341304635.db2.gz CVKYIBGAGGQLPO-KSSFIOAISA-N 2 0 324.415 3.767 20 0 DHADRP CSC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245771227 341314296 /nfs/dbraw/zinc/31/42/96/341314296.db2.gz XGMFESZGHSNUGF-LEUOFYLZSA-N 2 0 304.503 3.523 20 0 DHADRP CCOc1cccc2cc([C@@H](C)NC[C@@H]3CC[N@H+](CC)C3)oc21 ZINC000245830162 341315667 /nfs/dbraw/zinc/31/56/67/341315667.db2.gz BNZSZTKXWJHOOH-CABCVRRESA-N 2 0 316.445 3.824 20 0 DHADRP c1c(CC[NH2+][C@@H]2CCCCC23CCCC3)nc2n1CCCC2 ZINC000550622365 341319763 /nfs/dbraw/zinc/31/97/63/341319763.db2.gz LUYUAPJSHCTCPQ-QGZVFWFLSA-N 2 0 301.478 3.855 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000550621098 341319801 /nfs/dbraw/zinc/31/98/01/341319801.db2.gz BUZRMTHRLHOFDY-HXUWFJFHSA-N 2 0 324.468 3.622 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000551163853 341332889 /nfs/dbraw/zinc/33/28/89/341332889.db2.gz GNDRRWGNIZRYQT-GOSISDBHSA-N 2 0 320.908 3.983 20 0 DHADRP Cc1nc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)sc1C ZINC000246232313 341336309 /nfs/dbraw/zinc/33/63/09/341336309.db2.gz MTGYQSANMKEJLX-PBHICJAKSA-N 2 0 321.534 3.846 20 0 DHADRP c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246248021 341337545 /nfs/dbraw/zinc/33/75/45/341337545.db2.gz DYEVZTVMLLBZGA-HNAYVOBHSA-N 2 0 307.441 3.688 20 0 DHADRP Clc1ccccc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246280215 341339873 /nfs/dbraw/zinc/33/98/73/341339873.db2.gz AWJFSYLWWMNPOH-LPHOPBHVSA-N 2 0 318.892 3.831 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000551790714 341351907 /nfs/dbraw/zinc/35/19/07/341351907.db2.gz FUJRMSHJBBVPMA-NJAFHUGGSA-N 2 0 310.526 3.559 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)C1 ZINC000246738267 341356619 /nfs/dbraw/zinc/35/66/19/341356619.db2.gz GNWLPCGZNOYYEL-PBHICJAKSA-N 2 0 322.880 3.794 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@@H](C)C1 ZINC000247003645 341359763 /nfs/dbraw/zinc/35/97/63/341359763.db2.gz LSLVYWBFPUSSMV-LPHOPBHVSA-N 2 0 312.457 3.539 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)[C@@H](C)C1 ZINC000247019866 341360069 /nfs/dbraw/zinc/36/00/69/341360069.db2.gz MUSSDAAKBGNPED-YJBOKZPZSA-N 2 0 304.453 3.567 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000247075957 341360611 /nfs/dbraw/zinc/36/06/11/341360611.db2.gz QMKLBTVAWSDDAK-UZLBHIALSA-N 2 0 316.489 3.783 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000247152972 341361538 /nfs/dbraw/zinc/36/15/38/341361538.db2.gz SYNNKRAFSVSWOA-BRWVUGGUSA-N 2 0 304.478 3.509 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000247153002 341361599 /nfs/dbraw/zinc/36/15/99/341361599.db2.gz SYNNKRAFSVSWOA-YESZJQIVSA-N 2 0 304.478 3.509 20 0 DHADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247264742 341362922 /nfs/dbraw/zinc/36/29/22/341362922.db2.gz XTPGHNOZUUZYLP-QFBILLFUSA-N 2 0 302.437 3.583 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552063341 341366501 /nfs/dbraw/zinc/36/65/01/341366501.db2.gz XKJPGMBSNSZPSZ-VAMGGRTRSA-N 2 0 315.505 3.813 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000261558421 341372130 /nfs/dbraw/zinc/37/21/30/341372130.db2.gz SJFWPFQLXJWZRS-PZJWPPBQSA-N 2 0 324.468 3.525 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000248175404 341374430 /nfs/dbraw/zinc/37/44/30/341374430.db2.gz VMKSSOSTNRDMEM-FCEWJHQRSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1Cl ZINC000552276161 341383383 /nfs/dbraw/zinc/38/33/83/341383383.db2.gz NOUXDTOGEFXPMD-MUIFIZLQSA-N 2 0 322.880 3.570 20 0 DHADRP Cc1c([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cnn1C(C)C ZINC000248685372 341384260 /nfs/dbraw/zinc/38/42/60/341384260.db2.gz GPMYPIYHMXBOMD-CVEARBPZSA-N 2 0 306.498 3.688 20 0 DHADRP C([C@H]1CCC2(CCCCC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248781703 341386803 /nfs/dbraw/zinc/38/68/03/341386803.db2.gz BZUJMCBVDDJUOL-RTBURBONSA-N 2 0 320.521 3.819 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)[C@@H](C)C1 ZINC000248885930 341389386 /nfs/dbraw/zinc/38/93/86/341389386.db2.gz QYELLOAZGUVPFX-OXJNMPFZSA-N 2 0 316.489 3.638 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOC(C)(C)C ZINC000248952075 341390695 /nfs/dbraw/zinc/39/06/95/341390695.db2.gz FFOHVSCEXPFLPB-DZFIZOCASA-N 2 0 318.505 3.548 20 0 DHADRP C[C@H](Nc1cc2c(cn1)CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552408092 341391807 /nfs/dbraw/zinc/39/18/07/341391807.db2.gz WBTMEMBSVUIIBK-OXJNMPFZSA-N 2 0 321.468 3.893 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC000552536860 341397840 /nfs/dbraw/zinc/39/78/40/341397840.db2.gz XLPMXMYCSUBVMS-HKUYNNGSSA-N 2 0 310.526 3.683 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCCC1 ZINC000090523468 341416514 /nfs/dbraw/zinc/41/65/14/341416514.db2.gz PTUWXBUQPGJGCW-ZCNNSNEGSA-N 2 0 322.537 3.703 20 0 DHADRP COc1ccc([C@H]([NH2+]CCC2CC[NH+](C)CC2)C(C)C)cc1 ZINC000091333189 341424874 /nfs/dbraw/zinc/42/48/74/341424874.db2.gz SLRDJGXRSRCHQK-LJQANCHMSA-N 2 0 304.478 3.714 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553331569 341426064 /nfs/dbraw/zinc/42/60/64/341426064.db2.gz MPVCGVAYZACUQX-DLBZAZTESA-N 2 0 309.457 3.915 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093944618 341487011 /nfs/dbraw/zinc/48/70/11/341487011.db2.gz YHLRLOHZDNKSTD-MRXNPFEDSA-N 2 0 303.494 3.525 20 0 DHADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OCC(C)C ZINC000567752733 341631714 /nfs/dbraw/zinc/63/17/14/341631714.db2.gz VYJAMCKTVFWYRK-XIRDDKMYSA-N 2 0 320.477 3.651 20 0 DHADRP CSC1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)CC[NH+](C)CC1 ZINC000568818174 341682458 /nfs/dbraw/zinc/68/24/58/341682458.db2.gz NACSIDDLMVHBSG-CGTJXYLNSA-N 2 0 318.530 3.596 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000423164205 518166694 /nfs/dbraw/zinc/16/66/94/518166694.db2.gz SIDQYCPQSLBYER-OQIJWPOYSA-N 2 0 316.489 3.842 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000368452036 520637540 /nfs/dbraw/zinc/63/75/40/520637540.db2.gz ZEWYAWKYSXMMLR-RCCFBDPRSA-N 2 0 320.525 3.546 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000163316993 521717863 /nfs/dbraw/zinc/71/78/63/521717863.db2.gz FVJOXIRTJLPQGG-DLBZAZTESA-N 2 0 309.457 3.741 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000125405409 523759191 /nfs/dbraw/zinc/75/91/91/523759191.db2.gz TZKCBSJBEPPPOO-SFHVURJKSA-N 2 0 314.473 3.754 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389412 523822213 /nfs/dbraw/zinc/82/22/13/523822213.db2.gz RYMSUCVHGBZHLP-KGLIPLIRSA-N 2 0 304.400 3.525 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cccn2C)C1 ZINC000161660396 524235340 /nfs/dbraw/zinc/23/53/40/524235340.db2.gz HXHCGARAWUTMTA-QGZVFWFLSA-N 2 0 311.473 3.547 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000364172115 524910021 /nfs/dbraw/zinc/91/00/21/524910021.db2.gz XDSKXXWEKPTINC-GUXCAODWSA-N 2 0 309.457 3.567 20 0 DHADRP C[C@]1(C[NH3+])CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339414387 525244910 /nfs/dbraw/zinc/24/49/10/525244910.db2.gz WQSQXPDRBHQTND-MRXNPFEDSA-N 2 0 314.395 3.699 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1Br ZINC000148890523 525604496 /nfs/dbraw/zinc/60/44/96/525604496.db2.gz XXAPGHLMPZZLMJ-HUBLWGQQSA-N 2 0 311.267 3.617 20 0 DHADRP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)c1 ZINC000157874640 525849398 /nfs/dbraw/zinc/84/93/98/525849398.db2.gz NXUKMUBBPDQTBQ-FUHWJXTLSA-N 2 0 316.489 3.579 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000364180235 526216030 /nfs/dbraw/zinc/21/60/30/526216030.db2.gz XQAMGHZDZFVVKT-ICSRJNTNSA-N 2 0 323.484 3.953 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cccn2C)cc1 ZINC000161651648 526251630 /nfs/dbraw/zinc/25/16/30/526251630.db2.gz VUVAIISDPZBFGM-KRWDZBQOSA-N 2 0 311.473 3.689 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)CCC2 ZINC000158194424 527107487 /nfs/dbraw/zinc/10/74/87/527107487.db2.gz QRFMWCUWDZTKKF-INIZCTEOSA-N 2 0 321.534 3.931 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c(C)n1 ZINC000163580773 527305852 /nfs/dbraw/zinc/30/58/52/527305852.db2.gz AZYWOOFSRCUGCR-OAHLLOKOSA-N 2 0 318.509 3.502 20 0 DHADRP FC(F)(F)c1cnc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339497769 527688982 /nfs/dbraw/zinc/68/89/82/527688982.db2.gz IVPHPRXZDGPKMP-UHFFFAOYSA-N 2 0 321.412 3.518 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278450919 535411479 /nfs/dbraw/zinc/41/14/79/535411479.db2.gz LLGSKHCSWXQULV-OAHLLOKOSA-N 2 0 302.462 3.610 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000294801113 535612120 /nfs/dbraw/zinc/61/21/20/535612120.db2.gz PKQWFRGKFDXYOA-LJQANCHMSA-N 2 0 316.489 3.720 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340469421 535612689 /nfs/dbraw/zinc/61/26/89/535612689.db2.gz JKHTTZFJNIHKGO-APWZRJJASA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]CCSCc2ccccc2)cc1 ZINC000340204726 536011234 /nfs/dbraw/zinc/01/12/34/536011234.db2.gz ZFGBLLRNCKEGNS-UHFFFAOYSA-N 2 0 314.498 3.771 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001168290396 1032063222 /nfs/dbraw/zinc/06/32/22/1032063222.db2.gz JUQANVJDJAZPFS-UHFFFAOYSA-N 2 0 314.395 3.710 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cnn(C2CCC2)c1 ZINC000925048643 1013197965 /nfs/dbraw/zinc/19/79/65/1013197965.db2.gz JHZWEVLTVFLCPE-QGZVFWFLSA-N 2 0 318.509 3.915 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCS2 ZINC000037649410 1013207625 /nfs/dbraw/zinc/20/76/25/1013207625.db2.gz RULDNJQMCZAOLM-MLGOLLRUSA-N 2 0 322.905 3.951 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)cc(F)c1 ZINC000296593272 1013213602 /nfs/dbraw/zinc/21/36/02/1013213602.db2.gz XVIPUDPQGLEUEA-ZDUSSCGKSA-N 2 0 308.416 3.675 20 0 DHADRP CCC[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894385077 1013228684 /nfs/dbraw/zinc/22/86/84/1013228684.db2.gz QJUYQKIKSNHRRJ-UHFFFAOYSA-N 2 0 304.459 3.571 20 0 DHADRP CC(C)[N@H+](CCC[NH3+])[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173082441 1033534358 /nfs/dbraw/zinc/53/43/58/1033534358.db2.gz MDLMKRPSMGZLGM-CYBMUJFWSA-N 2 0 318.383 3.575 20 0 DHADRP Cn1cncc1CCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000519421011 1013318163 /nfs/dbraw/zinc/31/81/63/1013318163.db2.gz XLXCIDCACHNFDK-UHFFFAOYSA-N 2 0 311.351 3.504 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)[C@H](C)C1 ZINC000120699794 1013335831 /nfs/dbraw/zinc/33/58/31/1013335831.db2.gz AEQBCFWIQLEDRS-CXAGYDPISA-N 2 0 319.880 3.684 20 0 DHADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967107 1013339464 /nfs/dbraw/zinc/33/94/64/1013339464.db2.gz BROVCYGSXUNBJU-QYYYHEGRSA-N 2 0 310.485 3.977 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000398108808 1013352720 /nfs/dbraw/zinc/35/27/20/1013352720.db2.gz CIVNJQDMWQAUMC-APWZRJJASA-N 2 0 314.498 3.791 20 0 DHADRP Fc1ccc([C@@H]2C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969477 1013374698 /nfs/dbraw/zinc/37/46/98/1013374698.db2.gz CMAQOQJCVZHFTN-OLPBJYBYSA-N 2 0 314.448 3.677 20 0 DHADRP c1nc2cc(Nc3cc[nH+]cc3Oc3ccccc3)ccc2[nH]1 ZINC001209841352 1013393401 /nfs/dbraw/zinc/39/34/01/1013393401.db2.gz KDRNOMIHSXBANA-UHFFFAOYSA-N 2 0 302.337 3.916 20 0 DHADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000262042980 1013411458 /nfs/dbraw/zinc/41/14/58/1013411458.db2.gz CBELVYHFOXLUKS-CEXWTWQISA-N 2 0 304.453 3.577 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(SC)o1 ZINC000894778988 1013487003 /nfs/dbraw/zinc/48/70/03/1013487003.db2.gz BJUXJKPUXMOXNY-UHFFFAOYSA-N 2 0 307.463 3.673 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519769011 1013600925 /nfs/dbraw/zinc/60/09/25/1013600925.db2.gz HUAHGJPTKHIPGW-LNLFQRSKSA-N 2 0 320.521 3.721 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[C@H](C)C1 ZINC000188089643 1013632495 /nfs/dbraw/zinc/63/24/95/1013632495.db2.gz WALZUPQGRRNUCJ-AFYVEPGGSA-N 2 0 300.490 3.718 20 0 DHADRP CC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655689219 1013640339 /nfs/dbraw/zinc/64/03/39/1013640339.db2.gz YYHDCYPDELMLBX-MSOLQXFVSA-N 2 0 322.880 3.634 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CS1 ZINC000655697919 1013650230 /nfs/dbraw/zinc/65/02/30/1013650230.db2.gz RYQPJMNEVBUNSY-MAUKXSAKSA-N 2 0 304.503 3.656 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CS1 ZINC000655697921 1013650272 /nfs/dbraw/zinc/65/02/72/1013650272.db2.gz RYQPJMNEVBUNSY-QAPCUYQASA-N 2 0 304.503 3.656 20 0 DHADRP c1ccc2c(NCc3cccc(C[NH+]4CCCC4)c3)cc[nH+]c2c1 ZINC000520308207 1013703342 /nfs/dbraw/zinc/70/33/42/1013703342.db2.gz GFZIAJBXSWRZBG-UHFFFAOYSA-N 2 0 317.436 3.865 20 0 DHADRP c1coc([C@@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCCCC2)c1 ZINC000520308841 1013703749 /nfs/dbraw/zinc/70/37/49/1013703749.db2.gz OQLXWJXHXGAALV-LJQANCHMSA-N 2 0 321.424 3.889 20 0 DHADRP Cc1ccc([C@H](CNc2cc[nH+]c3ccccc23)[NH+](C)C)cc1 ZINC000520318240 1013708034 /nfs/dbraw/zinc/70/80/34/1013708034.db2.gz FKTBVCAIHDFHTI-FQEVSTJZSA-N 2 0 305.425 3.680 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000655805722 1013728036 /nfs/dbraw/zinc/72/80/36/1013728036.db2.gz RMFNMFYAHWJXAP-YQQAZPJKSA-N 2 0 304.478 3.855 20 0 DHADRP COc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2)cc1 ZINC000655804793 1013723274 /nfs/dbraw/zinc/72/32/74/1013723274.db2.gz BRNGJTFRLPATEV-SCWSEQNSSA-N 2 0 324.468 3.714 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](c2ccccc2)C1 ZINC000655806261 1013727645 /nfs/dbraw/zinc/72/76/45/1013727645.db2.gz SYDPRERDHJQQPU-ORFRNNEJSA-N 2 0 300.490 3.889 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)ccc1Cl ZINC000655806923 1013729389 /nfs/dbraw/zinc/72/93/89/1013729389.db2.gz DSTWVMZPGGMPCP-WZRBSPASSA-N 2 0 301.261 3.984 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000655807293 1013729745 /nfs/dbraw/zinc/72/97/45/1013729745.db2.gz JZFFLYIJJWHFFH-GMXVVIOVSA-N 2 0 301.261 3.984 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000655826013 1013747219 /nfs/dbraw/zinc/74/72/19/1013747219.db2.gz CEASHPPBVDNXCS-TXEJJXNPSA-N 2 0 320.786 3.789 20 0 DHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000579952468 1013751935 /nfs/dbraw/zinc/75/19/35/1013751935.db2.gz BYCWYQBGJXROSL-ZFWWWQNUSA-N 2 0 314.395 3.697 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000655849836 1013776869 /nfs/dbraw/zinc/77/68/69/1013776869.db2.gz ZCHDVBGXSOTJGC-YSVLISHTSA-N 2 0 315.486 3.964 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655847819 1013774611 /nfs/dbraw/zinc/77/46/11/1013774611.db2.gz DESIXWQGWMMVKS-MOPGFXCFSA-N 2 0 308.510 3.721 20 0 DHADRP COC1(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000340442004 1013795527 /nfs/dbraw/zinc/79/55/27/1013795527.db2.gz SQUQWKQBJBTZBN-SJLPKXTDSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169487 1013797774 /nfs/dbraw/zinc/79/77/74/1013797774.db2.gz SRYJGDFPHYYEIJ-CHWSQXEVSA-N 2 0 300.368 3.827 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000121797359 1013814453 /nfs/dbraw/zinc/81/44/53/1013814453.db2.gz MSIVADYPKYIFOK-CQSZACIVSA-N 2 0 308.897 3.938 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccncc1F ZINC000340467434 1013831243 /nfs/dbraw/zinc/83/12/43/1013831243.db2.gz BGLJBPPEMNJAHE-HNNXBMFYSA-N 2 0 315.436 3.913 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000340468050 1013832984 /nfs/dbraw/zinc/83/29/84/1013832984.db2.gz ISKNLLFVUYYPQR-APWZRJJASA-N 2 0 316.489 3.871 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340469423 1013833981 /nfs/dbraw/zinc/83/39/81/1013833981.db2.gz JKHTTZFJNIHKGO-QFBILLFUSA-N 2 0 304.478 3.576 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000655942667 1013838733 /nfs/dbraw/zinc/83/87/33/1013838733.db2.gz WXKXGRLSONURIC-KBAYOESNSA-N 2 0 322.880 3.509 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cnn1C(C)C ZINC000340473992 1013846956 /nfs/dbraw/zinc/84/69/56/1013846956.db2.gz FZWJJQJJODJZTR-MRXNPFEDSA-N 2 0 306.498 3.689 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000340475390 1013856107 /nfs/dbraw/zinc/85/61/07/1013856107.db2.gz QEKKDGOUABGPLY-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C(C)(C)C ZINC000340475767 1013859212 /nfs/dbraw/zinc/85/92/12/1013859212.db2.gz ASPHUBRDUMCTLM-QZTJIDSGSA-N 2 0 304.478 3.726 20 0 DHADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340480733 1013866337 /nfs/dbraw/zinc/86/63/37/1013866337.db2.gz UUOWHRIHLPJSLH-GOSISDBHSA-N 2 0 302.462 3.756 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1F ZINC000127110237 1013892037 /nfs/dbraw/zinc/89/20/37/1013892037.db2.gz KDLJWAJQOWAKPH-GCVQQVDUSA-N 2 0 315.230 3.509 20 0 DHADRP CC(C)c1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166632438 1013932291 /nfs/dbraw/zinc/93/22/91/1013932291.db2.gz MLLPDHAPMMZKOT-WOJBJXKFSA-N 2 0 300.490 3.959 20 0 DHADRP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312628487 1013939323 /nfs/dbraw/zinc/93/93/23/1013939323.db2.gz BRMGSWZVPPVFNP-UPJWGTAASA-N 2 0 313.272 3.986 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cc(Cl)sc1Cl ZINC000312772433 1014082327 /nfs/dbraw/zinc/08/23/27/1014082327.db2.gz SWWHPCDWENDDFZ-WCABBAIRSA-N 2 0 307.290 3.873 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000565597454 1014084139 /nfs/dbraw/zinc/08/41/39/1014084139.db2.gz KWZQNOZNDFVCAV-VXGBXAGGSA-N 2 0 308.372 3.657 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC000656196907 1014104129 /nfs/dbraw/zinc/10/41/29/1014104129.db2.gz UCGLNJQMMAEUMZ-NJYVYQBISA-N 2 0 324.468 3.804 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782184293 1014127711 /nfs/dbraw/zinc/12/77/11/1014127711.db2.gz CGMSBWSSZRVPGC-KSSFIOAISA-N 2 0 306.881 3.991 20 0 DHADRP CCC[NH+]1CCC(Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000129891581 1014166291 /nfs/dbraw/zinc/16/62/91/1014166291.db2.gz RNSGXXZFWSJLMQ-UHFFFAOYSA-N 2 0 315.505 3.959 20 0 DHADRP CCCC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000656261018 1014248924 /nfs/dbraw/zinc/24/89/24/1014248924.db2.gz BXNITPAUBZCBEY-RBUKOAKNSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000564434643 1014281428 /nfs/dbraw/zinc/28/14/28/1014281428.db2.gz KGDITAUTBJLILE-FQEVSTJZSA-N 2 0 324.468 3.620 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429365 1014281486 /nfs/dbraw/zinc/28/14/86/1014281486.db2.gz ISPCXEMLFRJKFS-AZUAARDMSA-N 2 0 312.501 3.914 20 0 DHADRP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)C ZINC000580695194 1014293671 /nfs/dbraw/zinc/29/36/71/1014293671.db2.gz VAYHAHQKUYAHRL-QGZVFWFLSA-N 2 0 312.542 3.926 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000580694981 1014295097 /nfs/dbraw/zinc/29/50/97/1014295097.db2.gz CACYRGFMLPTEDR-QGPMSJSTSA-N 2 0 306.881 3.908 20 0 DHADRP COc1ccccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001203437529 1014298570 /nfs/dbraw/zinc/29/85/70/1014298570.db2.gz DSOOKLGJUUMYQI-ZWKOTPCHSA-N 2 0 302.462 3.534 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000580812817 1014369644 /nfs/dbraw/zinc/36/96/44/1014369644.db2.gz YUYPRSCRKMVULO-LJQANCHMSA-N 2 0 316.489 3.784 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000520648502 1014400410 /nfs/dbraw/zinc/40/04/10/1014400410.db2.gz BVZHCVOLLMHGGP-MSOLQXFVSA-N 2 0 300.490 3.818 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000580856401 1014408885 /nfs/dbraw/zinc/40/88/85/1014408885.db2.gz LFTQFQDFTHWMQR-UHFFFAOYSA-N 2 0 310.432 3.561 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccnc2ccccc12 ZINC000665239454 1014517712 /nfs/dbraw/zinc/51/77/12/1014517712.db2.gz UGTNWUVMCXRYLZ-FUHWJXTLSA-N 2 0 311.473 3.678 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246492 1014542563 /nfs/dbraw/zinc/54/25/63/1014542563.db2.gz GRNVTDKLNYACHZ-CYBMUJFWSA-N 2 0 314.395 3.888 20 0 DHADRP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000317511787 1014599411 /nfs/dbraw/zinc/59/94/11/1014599411.db2.gz NJCHZHYGSSRIPW-CABCVRRESA-N 2 0 315.848 3.605 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273621 1014635383 /nfs/dbraw/zinc/63/53/83/1014635383.db2.gz AHLHPCGEBHSVPS-CRYBEJKASA-N 2 0 308.416 3.503 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@@H](C)C2 ZINC000665273447 1014636039 /nfs/dbraw/zinc/63/60/39/1014636039.db2.gz XGNJQTLAODYNCQ-XBHMSOGKSA-N 2 0 309.457 3.741 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)c2ccccc21 ZINC000665276165 1014641004 /nfs/dbraw/zinc/64/10/04/1014641004.db2.gz ZLDYOFFPEDRVQQ-WBVHZDCISA-N 2 0 309.438 3.573 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OCC ZINC000665279374 1014662211 /nfs/dbraw/zinc/66/22/11/1014662211.db2.gz BBVWVTSYWCBUPB-GOEBONIOSA-N 2 0 308.466 3.508 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000665281073 1014667152 /nfs/dbraw/zinc/66/71/52/1014667152.db2.gz TZJNMAUHMOGNIH-BXUZGUMPSA-N 2 0 304.356 3.609 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000665280814 1014669210 /nfs/dbraw/zinc/66/92/10/1014669210.db2.gz MHBGIPGSKYHAME-HZSPNIEDSA-N 2 0 305.491 3.751 20 0 DHADRP C[N@H+](CCC[NH2+]C1CCC(C(F)F)CC1)Cc1ccccc1 ZINC000442638896 1014706459 /nfs/dbraw/zinc/70/64/59/1014706459.db2.gz UVSBVODTKAKOMY-UHFFFAOYSA-N 2 0 310.432 3.922 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442712981 1014721176 /nfs/dbraw/zinc/72/11/76/1014721176.db2.gz HJWLXIQVNPKSJG-FXQLRMTLSA-N 2 0 302.453 3.768 20 0 DHADRP CSc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000442849686 1014744929 /nfs/dbraw/zinc/74/49/29/1014744929.db2.gz CLGJMZZVRDMJNL-HOTGVXAUSA-N 2 0 322.518 3.560 20 0 DHADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000442917871 1014767959 /nfs/dbraw/zinc/76/79/59/1014767959.db2.gz BNMGELWEXNBPQY-LLVKDONJSA-N 2 0 317.260 3.563 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000443071519 1014798807 /nfs/dbraw/zinc/79/88/07/1014798807.db2.gz MRHMOFXBRXBMKM-AWEZNQCLSA-N 2 0 307.507 3.752 20 0 DHADRP C[C@@H]([NH2+]CCOCC1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000313248292 1014818334 /nfs/dbraw/zinc/81/83/34/1014818334.db2.gz FPXNMDNHSUWMEG-MRXNPFEDSA-N 2 0 313.445 3.730 20 0 DHADRP CC(C)c1ccc([C@@H]([NH2+]C[C@@H](O)CN(C)C2CC2)C(C)C)cc1 ZINC000522038174 1014870359 /nfs/dbraw/zinc/87/03/59/1014870359.db2.gz WDLSGPDQISMIHA-UXHICEINSA-N 2 0 318.505 3.552 20 0 DHADRP CCCC[C@H](CO)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168016842 1014913805 /nfs/dbraw/zinc/91/38/05/1014913805.db2.gz WCOOUWFAUMPCPA-ZHALLVOQSA-N 2 0 318.505 3.569 20 0 DHADRP Cc1ccncc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000276284889 1014918819 /nfs/dbraw/zinc/91/88/19/1014918819.db2.gz URDQFJVNRQEHBS-WGMWDUQUSA-N 2 0 323.484 3.636 20 0 DHADRP CCCC[NH+]1CCC(N(C)Cc2ccc(F)c(OC)c2)CC1 ZINC001204562995 1014982098 /nfs/dbraw/zinc/98/20/98/1014982098.db2.gz XABCLCWQNAOSHB-UHFFFAOYSA-N 2 0 308.441 3.531 20 0 DHADRP CCOC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000474087542 1014991569 /nfs/dbraw/zinc/99/15/69/1014991569.db2.gz GVERNENUIXMUBL-NZSAHSFTSA-N 2 0 310.526 3.680 20 0 DHADRP CC[NH+](CC)C[C@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000443606612 1015029512 /nfs/dbraw/zinc/02/95/12/1015029512.db2.gz SWJLTUSUIWQJTF-KDOFPFPSSA-N 2 0 306.881 3.991 20 0 DHADRP C[C@H]([NH3+])c1ccn(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168023883 1015055202 /nfs/dbraw/zinc/05/52/02/1015055202.db2.gz YSAUFCJPJTZUCI-OAGGEKHMSA-N 2 0 312.461 3.517 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000656678863 1015059373 /nfs/dbraw/zinc/05/93/73/1015059373.db2.gz VGWGIYIDEDWTTQ-HXUWFJFHSA-N 2 0 316.489 3.618 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000191511662 1015089175 /nfs/dbraw/zinc/08/91/75/1015089175.db2.gz SPDREKAEKGFDEJ-GOSISDBHSA-N 2 0 315.436 3.984 20 0 DHADRP CCc1cc(NC2CC[NH+](CC3CC3)CC2)c2ccccc2[nH+]1 ZINC000443673280 1015100070 /nfs/dbraw/zinc/10/00/70/1015100070.db2.gz GRNQIRKZUWZOKB-UHFFFAOYSA-N 2 0 309.457 3.505 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000474151881 1015115418 /nfs/dbraw/zinc/11/54/18/1015115418.db2.gz SNUFYAJNVSNNAX-UHFFFAOYSA-N 2 0 317.521 3.767 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000033829383 1015152331 /nfs/dbraw/zinc/15/23/31/1015152331.db2.gz KGINNJCVISGZNG-PZJWPPBQSA-N 2 0 308.469 3.926 20 0 DHADRP CC(C)[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000474263859 1015225950 /nfs/dbraw/zinc/22/59/50/1015225950.db2.gz FGRCSUMAGIPMFY-UYAOXDASSA-N 2 0 300.490 3.844 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1scnc1C1CC1 ZINC000895683987 1015262801 /nfs/dbraw/zinc/26/28/01/1015262801.db2.gz ZEXBRICRWBEWBD-UHFFFAOYSA-N 2 0 307.507 3.718 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000581800418 1015336660 /nfs/dbraw/zinc/33/66/60/1015336660.db2.gz JWKIVDYRLKAYKC-CYBMUJFWSA-N 2 0 315.486 3.769 20 0 DHADRP COC1CCC(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000895932271 1015367394 /nfs/dbraw/zinc/36/73/94/1015367394.db2.gz LVRFZMSTVNTXRF-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000293046675 1015372387 /nfs/dbraw/zinc/37/23/87/1015372387.db2.gz LESLCZZZTKZNHF-LBPRGKRZSA-N 2 0 323.362 3.642 20 0 DHADRP Cc1nn(C(C)C)c(C)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000896027822 1015418820 /nfs/dbraw/zinc/41/88/20/1015418820.db2.gz MCKJZFDBYBZMPF-UHFFFAOYSA-N 2 0 320.525 3.779 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnc(C)s2)c1 ZINC000090408256 1015461883 /nfs/dbraw/zinc/46/18/83/1015461883.db2.gz CXFDDKJSAXFWTP-CYBMUJFWSA-N 2 0 303.475 3.754 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474616467 1015495843 /nfs/dbraw/zinc/49/58/43/1015495843.db2.gz JFAFRFZKRFQIAY-QNWHQSFQSA-N 2 0 300.899 3.823 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CCO2 ZINC000178255182 1015526700 /nfs/dbraw/zinc/52/67/00/1015526700.db2.gz UKEHSLRTHUCWRR-IBGZPJMESA-N 2 0 314.473 3.537 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCCS1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000327715708 1015530243 /nfs/dbraw/zinc/53/02/43/1015530243.db2.gz CZSMMOSPVYFHFV-YTQUADARSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCCS1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000327715707 1015531533 /nfs/dbraw/zinc/53/15/33/1015531533.db2.gz CZSMMOSPVYFHFV-WDSOQIARSA-N 2 0 318.530 3.772 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000474802732 1015609001 /nfs/dbraw/zinc/60/90/01/1015609001.db2.gz ZDKOILKPISYWJO-MDNKFWRPSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H]1C[C@@H](N2Cc3cccnc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041998 1015619389 /nfs/dbraw/zinc/61/93/89/1015619389.db2.gz XLUSRNUJVNSWAD-XEMDLRDOSA-N 2 0 321.468 3.839 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000772956986 1032121592 /nfs/dbraw/zinc/12/15/92/1032121592.db2.gz KVXJFZFKHMAREX-KRWDZBQOSA-N 2 0 311.473 3.692 20 0 DHADRP C[NH+](C)[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000277138114 1015904433 /nfs/dbraw/zinc/90/44/33/1015904433.db2.gz IVLQBWWKMHRSFN-INIZCTEOSA-N 2 0 315.486 3.726 20 0 DHADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCc2ccsc2C1 ZINC000361859277 1032131887 /nfs/dbraw/zinc/13/18/87/1032131887.db2.gz BOXPGFMAXIIWHT-UHFFFAOYSA-N 2 0 309.438 3.801 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657312040 1016290213 /nfs/dbraw/zinc/29/02/13/1016290213.db2.gz CRJUQFGMECWTLC-UHFFFAOYSA-N 2 0 317.502 3.898 20 0 DHADRP CC[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000387256079 1016404329 /nfs/dbraw/zinc/40/43/29/1016404329.db2.gz MSCWPQSDOMAAIT-MSOLQXFVSA-N 2 0 308.510 3.722 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCCO1 ZINC000346505240 1016412343 /nfs/dbraw/zinc/41/23/43/1016412343.db2.gz XLALLLFPBNWYDY-ABSDTBQOSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCCO1 ZINC000346555777 1016454669 /nfs/dbraw/zinc/45/46/69/1016454669.db2.gz PJMOUAVXUMXABP-XLIONFOSSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000346650650 1016484710 /nfs/dbraw/zinc/48/47/10/1016484710.db2.gz PUWGSVUGHMYRSJ-JSGCOSHPSA-N 2 0 320.383 3.610 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000281380577 1016482793 /nfs/dbraw/zinc/48/27/93/1016482793.db2.gz XFEXTOCPBQFEMX-GUDVDZBRSA-N 2 0 315.505 3.738 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346632679 1016489437 /nfs/dbraw/zinc/48/94/37/1016489437.db2.gz DMQSMSMIDIXKPF-OLZOCXBDSA-N 2 0 304.434 3.723 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(OC)cc1 ZINC000171127046 1016534846 /nfs/dbraw/zinc/53/48/46/1016534846.db2.gz CMVZPBJLYXUPOB-HXUWFJFHSA-N 2 0 312.457 3.998 20 0 DHADRP COCc1csc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000657391402 1016584715 /nfs/dbraw/zinc/58/47/15/1016584715.db2.gz SQCZFQONKWPDLF-UHFFFAOYSA-N 2 0 324.534 3.742 20 0 DHADRP COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346858692 1016608936 /nfs/dbraw/zinc/60/89/36/1016608936.db2.gz YGMKMUMFBAZJGS-FQEVSTJZSA-N 2 0 324.468 3.697 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000281630836 1016640024 /nfs/dbraw/zinc/64/00/24/1016640024.db2.gz DCZFNQUKEDYGRA-SFHVURJKSA-N 2 0 310.457 3.615 20 0 DHADRP CCSCC[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000336711905 1016703321 /nfs/dbraw/zinc/70/33/21/1016703321.db2.gz LOLPLOIYWACIQE-SFHVURJKSA-N 2 0 306.519 3.631 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC2CCC2)CC1 ZINC000347058794 1016710279 /nfs/dbraw/zinc/71/02/79/1016710279.db2.gz RCGLRPVJHITLND-KRWDZBQOSA-N 2 0 308.510 3.532 20 0 DHADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000347091698 1016725602 /nfs/dbraw/zinc/72/56/02/1016725602.db2.gz FZWVFXYZXVAMON-CYBMUJFWSA-N 2 0 304.434 3.725 20 0 DHADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000563350251 1016727615 /nfs/dbraw/zinc/72/76/15/1016727615.db2.gz LSZFXXIOQKDXAW-XJKSGUPXSA-N 2 0 314.395 3.840 20 0 DHADRP C[N@H+](Cc1cc(Cl)cc2cccnc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347086611 1016735350 /nfs/dbraw/zinc/73/53/50/1016735350.db2.gz DYIGKNJZWNQIOD-SJPCQFCGSA-N 2 0 315.848 3.603 20 0 DHADRP CCC[N@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH2+]CC1 ZINC000347153300 1016763296 /nfs/dbraw/zinc/76/32/96/1016763296.db2.gz CCUDESODDFNVOB-UHFFFAOYSA-N 2 0 309.457 3.713 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347224730 1016795610 /nfs/dbraw/zinc/79/56/10/1016795610.db2.gz VFXAWTYCKUPOHP-WBVHZDCISA-N 2 0 302.462 3.567 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCc2ccncc2)C1 ZINC000347289001 1016851912 /nfs/dbraw/zinc/85/19/12/1016851912.db2.gz SCRCNBCXABVIBX-ICSRJNTNSA-N 2 0 315.505 3.601 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000671294815 1016865137 /nfs/dbraw/zinc/86/51/37/1016865137.db2.gz LHYASHJUUGTSIH-OXJNMPFZSA-N 2 0 300.490 3.638 20 0 DHADRP c1cc(OC2CCCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671302409 1016911237 /nfs/dbraw/zinc/91/12/37/1016911237.db2.gz OHTYLPGPSCKXFZ-ROUUACIJSA-N 2 0 314.473 3.724 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000671313077 1016947027 /nfs/dbraw/zinc/94/70/27/1016947027.db2.gz QWLYWMWUOXXVKS-MRXNPFEDSA-N 2 0 318.505 3.931 20 0 DHADRP Cc1ccc2[nH]c(C[N@H+]3CCCC34CC[NH+](C)CC4)cc2c1C ZINC000475131444 1016982959 /nfs/dbraw/zinc/98/29/59/1016982959.db2.gz UKWOZQALUHTISK-UHFFFAOYSA-N 2 0 311.473 3.845 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC001167586730 1016985801 /nfs/dbraw/zinc/98/58/01/1016985801.db2.gz PJRGNUYRQDPGPF-DKIMLUQUSA-N 2 0 322.443 3.840 20 0 DHADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356915 1016986436 /nfs/dbraw/zinc/98/64/36/1016986436.db2.gz OKYZEXIUIDCTDV-IRXDYDNUSA-N 2 0 323.550 3.593 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623359917 1016988696 /nfs/dbraw/zinc/98/86/96/1016988696.db2.gz JLNRUKBEKIJTAJ-DOTOQJQBSA-N 2 0 304.478 3.997 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1(C)C ZINC000623376257 1017000288 /nfs/dbraw/zinc/00/02/88/1017000288.db2.gz MBHVSHRYLALUDK-GBESFXJTSA-N 2 0 316.489 3.617 20 0 DHADRP Fc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000192925970 1017029685 /nfs/dbraw/zinc/02/96/85/1017029685.db2.gz IWGLAKUQSPUJMJ-INIZCTEOSA-N 2 0 316.395 3.577 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)CC1(C)C ZINC000623412464 1017037171 /nfs/dbraw/zinc/03/71/71/1017037171.db2.gz LTDHXINCHKTVHC-OAHLLOKOSA-N 2 0 304.503 3.774 20 0 DHADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432410 1017044286 /nfs/dbraw/zinc/04/42/86/1017044286.db2.gz QNCOXXVVCFCIFF-ZFWWWQNUSA-N 2 0 310.869 3.570 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001168306410 1032157899 /nfs/dbraw/zinc/15/78/99/1032157899.db2.gz ZDAAFBDSEFYIDC-UHFFFAOYSA-N 2 0 304.453 3.611 20 0 DHADRP CCC(CC)[N@@H+](C1CCC([NH+](C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168306389 1032158648 /nfs/dbraw/zinc/15/86/48/1032158648.db2.gz YJFURMIXGFSZHH-AVICRHQNSA-N 3 0 309.542 3.620 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000537588456 1032166509 /nfs/dbraw/zinc/16/65/09/1032166509.db2.gz SCIZKJQAKUJHAB-HNNXBMFYSA-N 2 0 315.461 3.941 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC001246682900 1032201738 /nfs/dbraw/zinc/20/17/38/1032201738.db2.gz XHGMNXGMYQKLDX-ZDUSSCGKSA-N 2 0 312.910 3.752 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001168312224 1032202814 /nfs/dbraw/zinc/20/28/14/1032202814.db2.gz LZXRXCNKRYKQFE-JRSKDTKFSA-N 2 0 308.416 3.805 20 0 DHADRP C[NH+](C)C1CCC([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001168316537 1032227454 /nfs/dbraw/zinc/22/74/54/1032227454.db2.gz ZNMASWGIZNAYLG-UHFFFAOYSA-N 2 0 300.490 3.814 20 0 DHADRP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCC([NH+](C)C)CC1 ZINC001168316336 1032230509 /nfs/dbraw/zinc/23/05/09/1032230509.db2.gz XWKPHMNMNZYPPH-IVMQYODDSA-N 2 0 318.505 3.821 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000115628306 1017079573 /nfs/dbraw/zinc/07/95/73/1017079573.db2.gz HSNOWYDPHNBFTQ-QUCCMNQESA-N 2 0 318.505 3.530 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1Br ZINC000089141552 1032328158 /nfs/dbraw/zinc/32/81/58/1032328158.db2.gz XXAPGHLMPZZLMJ-YWPYICTPSA-N 2 0 311.267 3.617 20 0 DHADRP Clc1ccc(C2CCC([NH2+]CCn3ccnc3)CC2)cc1 ZINC001168334012 1032336747 /nfs/dbraw/zinc/33/67/47/1032336747.db2.gz IGLAWYCSNMYNDA-UHFFFAOYSA-N 2 0 303.837 3.853 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001247008451 1032359817 /nfs/dbraw/zinc/35/98/17/1032359817.db2.gz AZBOCLGSSDLGQZ-WFASDCNBSA-N 2 0 323.278 3.584 20 0 DHADRP Cc1cccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000120415820 1032368505 /nfs/dbraw/zinc/36/85/05/1032368505.db2.gz CTFCJHBFCBXPEZ-KRWDZBQOSA-N 2 0 312.457 3.786 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)C)CC2)cc1 ZINC000120668398 1032380282 /nfs/dbraw/zinc/38/02/82/1032380282.db2.gz WMLRWKGDJDQVNA-MRXNPFEDSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121240598 1032431327 /nfs/dbraw/zinc/43/13/27/1032431327.db2.gz QMXQBJLIOQQMOA-HCXYKTFWSA-N 2 0 320.521 3.578 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171336535 1032433359 /nfs/dbraw/zinc/43/33/59/1032433359.db2.gz HMTSRBNOPXLBLG-KRWDZBQOSA-N 2 0 322.443 3.534 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340550 1032452567 /nfs/dbraw/zinc/45/25/67/1032452567.db2.gz KJVLABJVRGVONS-PBHICJAKSA-N 2 0 322.443 3.676 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000115628038 1017081501 /nfs/dbraw/zinc/08/15/01/1017081501.db2.gz WBGFSFDSMLMQNT-UYAOXDASSA-N 2 0 318.505 3.530 20 0 DHADRP C[N@H+]1C[C@@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001168346539 1032461875 /nfs/dbraw/zinc/46/18/75/1032461875.db2.gz AVOISCXUMRKRGE-RJSVMHHESA-N 2 0 318.892 3.860 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000075007542 1017284065 /nfs/dbraw/zinc/28/40/65/1017284065.db2.gz UCGWSVIVKDRKDK-GOSISDBHSA-N 2 0 318.505 3.879 20 0 DHADRP CSC1(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000348138939 1032480891 /nfs/dbraw/zinc/48/08/91/1032480891.db2.gz VJSBDYQMBOSUQI-UHFFFAOYSA-N 2 0 318.530 3.904 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000092381018 1032490071 /nfs/dbraw/zinc/49/00/71/1032490071.db2.gz XEHIREDCRWCBLS-UHFFFAOYSA-N 2 0 321.534 3.964 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000684955871 1017094791 /nfs/dbraw/zinc/09/47/91/1017094791.db2.gz VEHPMFQBZOMICZ-LJQANCHMSA-N 2 0 309.457 3.701 20 0 DHADRP CSC1(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000390768225 1032506748 /nfs/dbraw/zinc/50/67/48/1032506748.db2.gz HAAWITBZLFBSRB-GOSISDBHSA-N 2 0 318.530 3.774 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000122322651 1032534319 /nfs/dbraw/zinc/53/43/19/1032534319.db2.gz RHQFZGSHSYHJIS-APWZRJJASA-N 2 0 316.489 3.955 20 0 DHADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000773107177 1032562118 /nfs/dbraw/zinc/56/21/18/1032562118.db2.gz MAHHWPGMCKTORK-GOSISDBHSA-N 2 0 308.510 3.578 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000537646458 1032574988 /nfs/dbraw/zinc/57/49/88/1032574988.db2.gz CDZKCCKKRHYBHV-XLEPWJDSSA-N 2 0 316.489 3.523 20 0 DHADRP CCCOc1cccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000537648485 1032578365 /nfs/dbraw/zinc/57/83/65/1032578365.db2.gz STJDVOICSGOILU-LJQANCHMSA-N 2 0 316.489 3.639 20 0 DHADRP CC(C)n1cncc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000424163245 1011933739 /nfs/dbraw/zinc/93/37/39/1011933739.db2.gz VAWOHDDWAAXAKB-UHFFFAOYSA-N 2 0 318.509 3.597 20 0 DHADRP C[C@H]1CC2(C[N@@H+]1CCOc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424283772 1011973881 /nfs/dbraw/zinc/97/38/81/1011973881.db2.gz CADMABGFGHBIOF-KRWDZBQOSA-N 2 0 324.468 3.683 20 0 DHADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475279918 1017104678 /nfs/dbraw/zinc/10/46/78/1017104678.db2.gz ZHQJQPUSIZDJJT-UFYCRDLUSA-N 2 0 300.490 3.923 20 0 DHADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c2ccccc12 ZINC000424379794 1012011942 /nfs/dbraw/zinc/01/19/42/1012011942.db2.gz PFVDPKGSVAHDFM-MRXNPFEDSA-N 2 0 324.468 3.812 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424377623 1012013043 /nfs/dbraw/zinc/01/30/43/1012013043.db2.gz MKEBUHDNUJNIEH-MRXNPFEDSA-N 2 0 324.468 3.812 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000347209848 1017105663 /nfs/dbraw/zinc/10/56/63/1017105663.db2.gz NXHMOFSDCHPLGK-YLJYHZDGSA-N 2 0 324.468 3.825 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(-c3ccccc3)o1)CC[NH2+]CC2 ZINC000424381872 1012015994 /nfs/dbraw/zinc/01/59/94/1012015994.db2.gz REOWARMQIROHLW-MRXNPFEDSA-N 2 0 310.441 3.911 20 0 DHADRP CC[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647936403 1012028031 /nfs/dbraw/zinc/02/80/31/1012028031.db2.gz DBGDEUZCAFFWEI-VQIMIIECSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(F)c1 ZINC000122381886 1032603452 /nfs/dbraw/zinc/60/34/52/1032603452.db2.gz ZSABRZLAISNACB-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000123586649 1012161150 /nfs/dbraw/zinc/16/11/50/1012161150.db2.gz ASYXJLDVJDNVRW-LAUBAEHRSA-N 2 0 308.469 3.968 20 0 DHADRP FC1(F)CCC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000513960537 1012229324 /nfs/dbraw/zinc/22/93/24/1012229324.db2.gz KAYYAXDSCMSXIO-MRXNPFEDSA-N 2 0 300.437 3.620 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]C3CCC([NH+](C)C)CC3)oc21 ZINC000514082300 1012264635 /nfs/dbraw/zinc/26/46/35/1012264635.db2.gz GRVJLUBPTGMIFG-IUDNXUCKSA-N 2 0 316.445 3.965 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCCc2c(F)cccc2Cl)C1 ZINC000514693546 1012411440 /nfs/dbraw/zinc/41/14/40/1012411440.db2.gz QRWXPVBBSRBFOA-KBXCAEBGSA-N 2 0 324.871 3.828 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000514828956 1012454488 /nfs/dbraw/zinc/45/44/88/1012454488.db2.gz YURNOLUZMADFBI-SSSFQFABSA-N 2 0 312.501 3.860 20 0 DHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC1CCCCCC1 ZINC000558403909 1012526872 /nfs/dbraw/zinc/52/68/72/1012526872.db2.gz PXDWMOYLVSPHMU-CEXWTWQISA-N 2 0 308.510 3.530 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000317190652 1012894613 /nfs/dbraw/zinc/89/46/13/1012894613.db2.gz RYHWUCURFWQGEZ-MRXNPFEDSA-N 2 0 304.478 3.567 20 0 DHADRP FC(F)(F)c1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261946416 1012911310 /nfs/dbraw/zinc/91/13/10/1012911310.db2.gz MIHUBRWQGZBGRL-INIZCTEOSA-N 2 0 312.379 3.669 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000517221158 1012937787 /nfs/dbraw/zinc/93/77/87/1012937787.db2.gz WVTCLQLCIBYJFZ-PMACEKPBSA-N 2 0 300.490 3.842 20 0 DHADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000425939419 1012980876 /nfs/dbraw/zinc/98/08/76/1012980876.db2.gz TWWZRDXEKVVMFA-WFASDCNBSA-N 2 0 300.393 3.526 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H](C)C1 ZINC000366687106 1013003847 /nfs/dbraw/zinc/00/38/47/1013003847.db2.gz WALFIOHHXDIVNO-ZUXXIDCJSA-N 2 0 308.416 3.531 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cncs1 ZINC000154855580 1013039366 /nfs/dbraw/zinc/03/93/66/1013039366.db2.gz UENGYUCQPAPLOC-AWEZNQCLSA-N 2 0 303.475 3.834 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000475287853 1017118109 /nfs/dbraw/zinc/11/81/09/1017118109.db2.gz PPSIGVFDAONVNL-UGKGYDQZSA-N 2 0 322.496 3.977 20 0 DHADRP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000475335554 1017150727 /nfs/dbraw/zinc/15/07/27/1017150727.db2.gz RLSSHLUQQNQUDC-XGXHKWSGSA-N 2 0 302.437 3.678 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656751 1017154771 /nfs/dbraw/zinc/15/47/71/1017154771.db2.gz AWGTVCXBAVMMEF-XUDLPTGHSA-N 2 0 316.489 3.558 20 0 DHADRP CC1(C)CCC[C@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657535161 1017216342 /nfs/dbraw/zinc/21/63/42/1017216342.db2.gz GZTZICJHJKFLDG-SFHVURJKSA-N 2 0 322.537 3.683 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000716295998 1032693281 /nfs/dbraw/zinc/69/32/81/1032693281.db2.gz UGRFTWSUQFQPHB-DGCLKSJQSA-N 2 0 301.261 3.608 20 0 DHADRP CC[NH+](CC)CCCC1CCN(Cc2coc(C3CC3)n2)CC1 ZINC000783596399 1017412948 /nfs/dbraw/zinc/41/29/48/1017412948.db2.gz XAWDCSRIDVIKMW-UHFFFAOYSA-N 2 0 319.493 3.886 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000925152347 1017446153 /nfs/dbraw/zinc/44/61/53/1017446153.db2.gz RZXVHGQBMPDPRO-QUCCMNQESA-N 2 0 315.505 3.504 20 0 DHADRP FC1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCC1 ZINC000716655862 1032699957 /nfs/dbraw/zinc/69/99/57/1032699957.db2.gz OSZIYIKSVLUOFG-OTWHNJEPSA-N 2 0 316.464 3.911 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000925152345 1017448586 /nfs/dbraw/zinc/44/85/86/1017448586.db2.gz RZXVHGQBMPDPRO-AZUAARDMSA-N 2 0 315.505 3.504 20 0 DHADRP FC1(F)CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716619396 1032700072 /nfs/dbraw/zinc/70/00/72/1032700072.db2.gz CVLPWZCHOXSVIQ-FJIDUMEYSA-N 2 0 320.427 3.817 20 0 DHADRP CC(C)(F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716726675 1032702169 /nfs/dbraw/zinc/70/21/69/1032702169.db2.gz GEQOTLPLHGKUIS-BZSNNMDCSA-N 2 0 304.453 3.767 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623864422 1017537208 /nfs/dbraw/zinc/53/72/08/1017537208.db2.gz OLLMJTPPCGQPHH-BZUAXINKSA-N 2 0 321.534 3.868 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000119109758 1017552220 /nfs/dbraw/zinc/55/22/20/1017552220.db2.gz WQYSNEDOBUKPIZ-HRAATJIYSA-N 2 0 324.468 3.965 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623903859 1017571618 /nfs/dbraw/zinc/57/16/18/1017571618.db2.gz QFDVMVRVYOQJDZ-INIZCTEOSA-N 2 0 321.534 3.868 20 0 DHADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613181 1017573244 /nfs/dbraw/zinc/57/32/44/1017573244.db2.gz HOBDPGMNNCZWMA-YLJYHZDGSA-N 2 0 315.505 3.710 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1C(F)(F)F ZINC000624009165 1017633986 /nfs/dbraw/zinc/63/39/86/1017633986.db2.gz PUACWKRAMJCZBO-WZRBSPASSA-N 2 0 318.358 3.835 20 0 DHADRP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000624049825 1017659165 /nfs/dbraw/zinc/65/91/65/1017659165.db2.gz QTNVTWPOOBPBAW-DFQSSKMNSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000624120542 1017692479 /nfs/dbraw/zinc/69/24/79/1017692479.db2.gz BLAGFXMGZIXHAM-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000624120620 1017692992 /nfs/dbraw/zinc/69/29/92/1017692992.db2.gz CNHQVSUGKCIGEN-QFBILLFUSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123656 1017695788 /nfs/dbraw/zinc/69/57/88/1017695788.db2.gz PVZWJYUNSFAXFS-HUUCEWRRSA-N 2 0 310.432 3.607 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123267 1017696662 /nfs/dbraw/zinc/69/66/62/1017696662.db2.gz IVXZXZJWJCGLCZ-IPMKNSEASA-N 2 0 315.505 3.738 20 0 DHADRP COc1ccc([C@H]2C[C@H](C)C[N@@H+]2CCCn2ccnc2C)cc1 ZINC000367168333 1017705734 /nfs/dbraw/zinc/70/57/34/1017705734.db2.gz PTRSYJWQOVWRQO-HNAYVOBHSA-N 2 0 313.445 3.673 20 0 DHADRP CCCc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)nc(CCC)n1 ZINC001167625872 1017721480 /nfs/dbraw/zinc/72/14/80/1017721480.db2.gz RARLAQWRWXXTRT-UHFFFAOYSA-N 2 0 318.509 3.866 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CN1C1CC1 ZINC000120713361 1017785436 /nfs/dbraw/zinc/78/54/36/1017785436.db2.gz VEECMHCVSYLMSQ-SWLSCSKDSA-N 2 0 317.864 3.579 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000666977309 1032723160 /nfs/dbraw/zinc/72/31/60/1032723160.db2.gz GCYGOVYWOASYNG-PKOBYXMFSA-N 2 0 310.441 3.623 20 0 DHADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090772414 1017806539 /nfs/dbraw/zinc/80/65/39/1017806539.db2.gz RFAWZTZVVVIWGC-ZDUSSCGKSA-N 2 0 310.869 3.559 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3nc(C(C)(C)C)cs3)C2)CC1 ZINC000367202046 1017814924 /nfs/dbraw/zinc/81/49/24/1017814924.db2.gz XIMCPSJWNFCTJE-UHFFFAOYSA-N 2 0 321.534 3.748 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccn1 ZINC000658063974 1018012523 /nfs/dbraw/zinc/01/25/23/1018012523.db2.gz MCCRVYGSCLJCGO-MBOZVWFJSA-N 2 0 315.505 3.818 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183361528 1018013802 /nfs/dbraw/zinc/01/38/02/1018013802.db2.gz OQZWNFALQDZWJC-FUHWJXTLSA-N 2 0 306.469 3.811 20 0 DHADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067430 1018021715 /nfs/dbraw/zinc/02/17/15/1018021715.db2.gz NZHGGBCVBFIMKR-WOJBJXKFSA-N 2 0 322.537 3.682 20 0 DHADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067953 1018022611 /nfs/dbraw/zinc/02/26/11/1018022611.db2.gz SRJGCHIZJFFNKP-YVWKXTFCSA-N 2 0 322.537 3.682 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)cc1 ZINC000318699528 1018058016 /nfs/dbraw/zinc/05/80/16/1018058016.db2.gz QGWPOIULVPHLDV-RBUKOAKNSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccn(C)c2)cc1 ZINC000123272388 1018058534 /nfs/dbraw/zinc/05/85/34/1018058534.db2.gz GJVWDQFEUSWQNI-KRWDZBQOSA-N 2 0 311.473 3.689 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)CC2 ZINC000184512401 1018084464 /nfs/dbraw/zinc/08/44/64/1018084464.db2.gz HURIXFLLOJXTHX-KXBFYZLASA-N 2 0 302.462 3.537 20 0 DHADRP Cc1ccc2c(C)cc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)nc2c1 ZINC000428156767 1018104266 /nfs/dbraw/zinc/10/42/66/1018104266.db2.gz NUOMOMOFIYDOJP-QFBILLFUSA-N 2 0 309.457 3.772 20 0 DHADRP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380299061 1018141228 /nfs/dbraw/zinc/14/12/28/1018141228.db2.gz HKCOPYWDOGJOBF-RWMBFGLXSA-N 2 0 313.272 3.986 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC)cc2)c1 ZINC000123981664 1018143089 /nfs/dbraw/zinc/14/30/89/1018143089.db2.gz GKKAFXNBROBWLM-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658162436 1018184874 /nfs/dbraw/zinc/18/48/74/1018184874.db2.gz DFFSLCVVCJFILW-PMACEKPBSA-N 2 0 315.505 3.852 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000126377375 1018186255 /nfs/dbraw/zinc/18/62/55/1018186255.db2.gz GMDSNPSJRUGPHV-HNNXBMFYSA-N 2 0 310.894 3.808 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164740 1018190010 /nfs/dbraw/zinc/19/00/10/1018190010.db2.gz OSVVBZUVRDWEDP-INIZCTEOSA-N 2 0 303.494 3.708 20 0 DHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261821743 1018190316 /nfs/dbraw/zinc/19/03/16/1018190316.db2.gz ARQPXKJOMBIQEX-CHWSQXEVSA-N 2 0 316.367 3.707 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000658163882 1018196276 /nfs/dbraw/zinc/19/62/76/1018196276.db2.gz LPMWWNQFAKZYMU-HXUWFJFHSA-N 2 0 315.505 3.852 20 0 DHADRP C[NH2+]C[C@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394438391 1018213116 /nfs/dbraw/zinc/21/31/16/1018213116.db2.gz LFHOQOJYJFVCLJ-HXUWFJFHSA-N 2 0 324.468 3.697 20 0 DHADRP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)C(C)(C)C ZINC000154964017 1018228335 /nfs/dbraw/zinc/22/83/35/1018228335.db2.gz GJPFLSKXYBAYFV-WMLDXEAASA-N 2 0 301.434 3.584 20 0 DHADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccn(C)c3)c2)CC1 ZINC000125017033 1018234069 /nfs/dbraw/zinc/23/40/69/1018234069.db2.gz ICRAZIIHMVVMFP-UHFFFAOYSA-N 2 0 311.473 3.547 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)C1CCCC1 ZINC000446757503 1018246384 /nfs/dbraw/zinc/24/63/84/1018246384.db2.gz BFOTWUBIXSDZKE-HXUWFJFHSA-N 2 0 318.505 3.822 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](COC)C2CCCC2)cc1 ZINC000446759508 1018246532 /nfs/dbraw/zinc/24/65/32/1018246532.db2.gz GEGXLOJRKYEMBR-FQEVSTJZSA-N 2 0 318.505 3.823 20 0 DHADRP CCc1noc(C)c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675123432 1018254037 /nfs/dbraw/zinc/25/40/37/1018254037.db2.gz ULNQAKRQLSWDLQ-UHFFFAOYSA-N 2 0 319.493 3.633 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@]3(C)CC3(F)F)CC2)C1 ZINC000658217115 1018284563 /nfs/dbraw/zinc/28/45/63/1018284563.db2.gz DQTPZOXKDIRJIK-BMFZPTHFSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1(F)F ZINC000658216257 1018285033 /nfs/dbraw/zinc/28/50/33/1018285033.db2.gz ATTSJXXRPPKRGA-ZJPYXAASSA-N 2 0 320.427 3.817 20 0 DHADRP CCc1cccc(Cl)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884293 1018287259 /nfs/dbraw/zinc/28/72/59/1018287259.db2.gz NWYKJAFMFGTWBC-UHFFFAOYSA-N 2 0 306.881 3.866 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000446940146 1018298077 /nfs/dbraw/zinc/29/80/77/1018298077.db2.gz SBLSHVTZVCMPTM-HXUWFJFHSA-N 2 0 318.505 3.690 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000658236423 1018317959 /nfs/dbraw/zinc/31/79/59/1018317959.db2.gz VUJXHUVAWDIYGA-OXQOHEQNSA-N 2 0 300.490 3.860 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000339010571 1032756066 /nfs/dbraw/zinc/75/60/66/1032756066.db2.gz QDLWBFAFONBGFT-GOSISDBHSA-N 2 0 308.510 3.698 20 0 DHADRP [NH3+]CCCc1cn(C2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC001168355891 1032758236 /nfs/dbraw/zinc/75/82/36/1032758236.db2.gz DJJRSWHGZFOHMS-UHFFFAOYSA-N 2 0 311.473 3.580 20 0 DHADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000765060253 1018465253 /nfs/dbraw/zinc/46/52/53/1018465253.db2.gz NOGPTJZPGLFSMZ-OAQYLSRUSA-N 2 0 324.468 3.713 20 0 DHADRP CCCC[NH+](CCCC)CCCNC1CC[NH+](CC2CC2)CC1 ZINC001168356047 1032766808 /nfs/dbraw/zinc/76/68/08/1032766808.db2.gz JQDJHVYQDQINCA-UHFFFAOYSA-N 2 0 323.569 3.743 20 0 DHADRP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000447811144 1018482354 /nfs/dbraw/zinc/48/23/54/1018482354.db2.gz CWPVSJIPJJKBTE-IRXDYDNUSA-N 2 0 310.844 3.628 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000658352981 1018511669 /nfs/dbraw/zinc/51/16/69/1018511669.db2.gz ATSAUJCTYBHLJY-INIZCTEOSA-N 2 0 319.518 3.541 20 0 DHADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000843342993 1018511705 /nfs/dbraw/zinc/51/17/05/1018511705.db2.gz QDCBBRVZYMUUQG-LBPRGKRZSA-N 2 0 304.356 3.755 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@@H]1CC[NH3+] ZINC000650710924 1018531614 /nfs/dbraw/zinc/53/16/14/1018531614.db2.gz DALYQCHZIGRZDE-OXQOHEQNSA-N 2 0 309.457 3.698 20 0 DHADRP C[C@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)[C@@H]1CC[NH3+] ZINC000650711150 1018537736 /nfs/dbraw/zinc/53/77/36/1018537736.db2.gz JWOYQSDUPSEFDD-XJKSGUPXSA-N 2 0 307.507 3.750 20 0 DHADRP C[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)[C@@H]1CC[NH3+] ZINC000650711277 1018539363 /nfs/dbraw/zinc/53/93/63/1018539363.db2.gz NVCLMNCDSSAFTG-RHSMWYFYSA-N 2 0 315.486 3.759 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714208 1018549368 /nfs/dbraw/zinc/54/93/68/1018549368.db2.gz VYGAGGOOQXLIGP-NSHDSACASA-N 2 0 301.261 3.643 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cccc3cccnc32)c2ccccc21 ZINC000261843417 1018560986 /nfs/dbraw/zinc/56/09/86/1018560986.db2.gz IWOYUZVTTKVOQS-RTBURBONSA-N 2 0 303.409 3.512 20 0 DHADRP C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000647299432 1018567315 /nfs/dbraw/zinc/56/73/15/1018567315.db2.gz GUFVAIXUVMGQIF-KGLIPLIRSA-N 2 0 300.437 3.807 20 0 DHADRP C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000675764085 1018582332 /nfs/dbraw/zinc/58/23/32/1018582332.db2.gz AZEMBILBMSAWFT-ZDUSSCGKSA-N 2 0 314.395 3.568 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)COc2c(C)cccc2C)CC1 ZINC000675769614 1018583992 /nfs/dbraw/zinc/58/39/92/1018583992.db2.gz CAAKJQFUVITBNE-KRWDZBQOSA-N 2 0 304.478 3.535 20 0 DHADRP Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000675790521 1018594034 /nfs/dbraw/zinc/59/40/34/1018594034.db2.gz FVZKCXWYLXIKEK-HNNXBMFYSA-N 2 0 301.409 3.649 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000675819107 1018601705 /nfs/dbraw/zinc/60/17/05/1018601705.db2.gz RUYHNUOUEKFQPX-LJQANCHMSA-N 2 0 316.489 3.839 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C2 ZINC001171552564 1032775561 /nfs/dbraw/zinc/77/55/61/1032775561.db2.gz ZLWBOVVPNPIVJA-HXUWFJFHSA-N 2 0 308.469 3.704 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)C2 ZINC001171549505 1032772585 /nfs/dbraw/zinc/77/25/85/1032772585.db2.gz BQCAHTAOMQOQAW-IBGZPJMESA-N 2 0 300.490 3.564 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000675925503 1018625640 /nfs/dbraw/zinc/62/56/40/1018625640.db2.gz WUACSLHBKUGXDQ-UXPWSPDFSA-N 2 0 316.489 3.535 20 0 DHADRP [NH3+][C@H]1CCC[C@H]1NCc1cccc(Oc2ccccc2F)c1 ZINC000650741078 1018627930 /nfs/dbraw/zinc/62/79/30/1018627930.db2.gz XKGKWYVSTPQNAW-DLBZAZTESA-N 2 0 300.377 3.587 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)C2 ZINC001171550159 1032773113 /nfs/dbraw/zinc/77/31/13/1032773113.db2.gz JLFCKXBCAWXUMV-FQEVSTJZSA-N 2 0 308.469 3.704 20 0 DHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000650743862 1018639357 /nfs/dbraw/zinc/63/93/57/1018639357.db2.gz ASBBMCLIRNLZGV-CHWSQXEVSA-N 2 0 303.475 3.507 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129723076 1018642792 /nfs/dbraw/zinc/64/27/92/1018642792.db2.gz WXSHDXWVTKJVOM-GJZGRUSLSA-N 2 0 306.416 3.819 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000657786098 1018644546 /nfs/dbraw/zinc/64/45/46/1018644546.db2.gz QTGLMFYEXVHBCD-SFHVURJKSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752797 1018669039 /nfs/dbraw/zinc/66/90/39/1018669039.db2.gz ATKJKDBBQYUJEK-GOSISDBHSA-N 2 0 314.404 3.596 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(C)ccc1OC ZINC000650754356 1018676729 /nfs/dbraw/zinc/67/67/29/1018676729.db2.gz HELRTXCPIPTNLL-GOSISDBHSA-N 2 0 316.420 3.842 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c(F)c1 ZINC000650754270 1018681918 /nfs/dbraw/zinc/68/19/18/1018681918.db2.gz FESWTQAERVEJFD-IBGZPJMESA-N 2 0 323.415 3.933 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000650757241 1018683527 /nfs/dbraw/zinc/68/35/27/1018683527.db2.gz SDHFEYJNXDCRRH-PXNSSMCTSA-N 2 0 323.484 3.925 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000650755604 1018683892 /nfs/dbraw/zinc/68/38/92/1018683892.db2.gz IQWPPRROVPWXNJ-IWMITWMQSA-N 2 0 324.468 3.696 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1cc(F)ccc1F ZINC000650758502 1018692443 /nfs/dbraw/zinc/69/24/43/1018692443.db2.gz QVGKEAJCBZLZJF-SFHVURJKSA-N 2 0 304.384 3.925 20 0 DHADRP Cc1cccc2c1CC[C@H](n1cc(CC[NH3+])c3c[nH+]ccc31)C2 ZINC001171558222 1032779093 /nfs/dbraw/zinc/77/90/93/1032779093.db2.gz CYSKSPJBRRSMLW-KRWDZBQOSA-N 2 0 305.425 3.576 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000650759530 1018700852 /nfs/dbraw/zinc/70/08/52/1018700852.db2.gz LNURSOZSHWVTPL-CYBMUJFWSA-N 2 0 320.383 3.858 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762189 1018709598 /nfs/dbraw/zinc/70/95/98/1018709598.db2.gz WGNXPOBJUKRRLO-ZDUSSCGKSA-N 2 0 314.395 3.616 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000765238246 1018726578 /nfs/dbraw/zinc/72/65/78/1018726578.db2.gz NOPHRQYWORUMBV-SJORKVTESA-N 2 0 304.478 3.858 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH+]1CCC3(CC[NH+](C)CC3)CC1)C2 ZINC001171576011 1032791344 /nfs/dbraw/zinc/79/13/44/1032791344.db2.gz ZWPJVDSVVNGEPC-LJQANCHMSA-N 2 0 312.501 3.660 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)CC(F)F ZINC000647318486 1018836442 /nfs/dbraw/zinc/83/64/42/1018836442.db2.gz QFKNKLWXANDIFG-LZWOXQAQSA-N 2 0 302.453 3.910 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)CCO1 ZINC000315348781 1018839042 /nfs/dbraw/zinc/83/90/42/1018839042.db2.gz GVSQCHQWKUNHOC-RBUKOAKNSA-N 2 0 304.478 3.576 20 0 DHADRP FC(F)(F)CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000158587949 1018857701 /nfs/dbraw/zinc/85/77/01/1018857701.db2.gz WPKMOTBYDVBLDS-ZFWWWQNUSA-N 2 0 304.400 3.668 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C1(OC)CCC1 ZINC000657825407 1018923990 /nfs/dbraw/zinc/92/39/90/1018923990.db2.gz DIYIRZYEXJDPTR-MRXNPFEDSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+]1C(C)(C)CC(N2CCC([NH+]3CCCCC3)CC2)CC1(C)C ZINC001171629470 1032795596 /nfs/dbraw/zinc/79/55/96/1032795596.db2.gz SAZVETHQWRNUOG-UHFFFAOYSA-N 2 0 321.553 3.588 20 0 DHADRP C[NH+]1C(C)(C)CC(NC(=[NH2+])c2ccc(F)c(F)c2)CC1(C)C ZINC001171619309 1032802003 /nfs/dbraw/zinc/80/20/03/1032802003.db2.gz JIYUIGCHZATMOZ-UHFFFAOYSA-N 2 0 309.404 3.531 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000858196181 1032799620 /nfs/dbraw/zinc/79/96/20/1032799620.db2.gz IXSDJGSVTNVJIR-YOEHRIQHSA-N 2 0 302.462 3.535 20 0 DHADRP CCOC1CCC([NH2+]C[C@@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000657832662 1018991878 /nfs/dbraw/zinc/99/18/78/1018991878.db2.gz LNNIYBRIAUOQIC-ACBHZAAOSA-N 2 0 310.526 3.824 20 0 DHADRP C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657832493 1018992261 /nfs/dbraw/zinc/99/22/61/1018992261.db2.gz DTWRCNMOAILXAU-HNNXBMFYSA-N 2 0 324.459 3.963 20 0 DHADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657833593 1019000297 /nfs/dbraw/zinc/00/02/97/1019000297.db2.gz HHKGQOQUPARDCS-WMZOPIPTSA-N 2 0 312.501 3.570 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623384943 1019010276 /nfs/dbraw/zinc/01/02/76/1019010276.db2.gz SOEKFRKMOYIMRA-RDJZCZTQSA-N 2 0 304.478 3.999 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H](F)C(F)(F)CC2)CC1(C)C ZINC001171629143 1032797007 /nfs/dbraw/zinc/79/70/07/1032797007.db2.gz NPYMPUBVUHIMMW-ZDUSSCGKSA-N 2 0 306.416 3.707 20 0 DHADRP CCOc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619033 1032803428 /nfs/dbraw/zinc/80/34/28/1032803428.db2.gz FEWKEKUAVSLVIH-UHFFFAOYSA-N 2 0 304.478 3.826 20 0 DHADRP C[C@@]1(C[NH2+][C@@H]2CCCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000692437243 1019044072 /nfs/dbraw/zinc/04/40/72/1019044072.db2.gz RTHGQMNNJOCPLL-MOPGFXCFSA-N 2 0 318.530 3.774 20 0 DHADRP Clc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000063551724 1019054802 /nfs/dbraw/zinc/05/48/02/1019054802.db2.gz BGXCHGHWXSOKCR-UHFFFAOYSA-N 2 0 318.848 3.935 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1(C)C ZINC001171622920 1032804584 /nfs/dbraw/zinc/80/45/84/1032804584.db2.gz CVAMDGQCSWYJKF-FOIQADDNSA-N 3 0 323.569 3.771 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@H](c2ccncc2)C2CC2)CC1(C)C ZINC001171624835 1032806001 /nfs/dbraw/zinc/80/60/01/1032806001.db2.gz ZIVBRSFWUQIOFA-KRWDZBQOSA-N 2 0 301.478 3.774 20 0 DHADRP C[C@H](COc1ccccc1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625105 1032807389 /nfs/dbraw/zinc/80/73/89/1032807389.db2.gz BYNQFFHFFSVNSM-OAHLLOKOSA-N 2 0 304.478 3.695 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171625783 1032807583 /nfs/dbraw/zinc/80/75/83/1032807583.db2.gz NZVWFBOQTAFXSN-UHFFFAOYSA-N 3 0 323.569 3.880 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000635003475 1019121137 /nfs/dbraw/zinc/12/11/37/1019121137.db2.gz KBSDKNOKDNPPFF-XLIONFOSSA-N 2 0 311.473 3.863 20 0 DHADRP CCc1nc(C)c([C@H](C)[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000923324401 1019131223 /nfs/dbraw/zinc/13/12/23/1019131223.db2.gz GVTFZYNIHRFJFQ-HNSVSWJLSA-N 2 0 321.534 3.927 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1cc2ccncc2s1)C[NH+]1CCCC1 ZINC000657844100 1019134206 /nfs/dbraw/zinc/13/42/06/1019134206.db2.gz GJQJDAVJABLJIL-KGLIPLIRSA-N 2 0 303.475 3.679 20 0 DHADRP CC1(C)Cc2occc2[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635011543 1019147511 /nfs/dbraw/zinc/14/75/11/1019147511.db2.gz QFUZQWQUVBDOFR-GOSISDBHSA-N 2 0 310.441 3.729 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C2(CC3CCC3)CCOCC2)CC1(C)C ZINC001171627332 1032810527 /nfs/dbraw/zinc/81/05/27/1032810527.db2.gz PSQOOLNPTPAAHC-UHFFFAOYSA-N 2 0 322.537 3.967 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000156881016 1019154271 /nfs/dbraw/zinc/15/42/71/1019154271.db2.gz LOUWWZLBLQCZNM-CJNGLKHVSA-N 2 0 314.395 3.568 20 0 DHADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657851735 1019178040 /nfs/dbraw/zinc/17/80/40/1019178040.db2.gz QKKRIJKARPZDSA-IBGZPJMESA-N 2 0 318.530 3.774 20 0 DHADRP [NH3+]CCCCCCC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000923444255 1019201483 /nfs/dbraw/zinc/20/14/83/1019201483.db2.gz XZVDHIJGGMBMBP-UHFFFAOYSA-N 2 0 321.534 3.720 20 0 DHADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CC[NH2+]CC1 ZINC000923526079 1019264836 /nfs/dbraw/zinc/26/48/36/1019264836.db2.gz NYUYESCSQTUOJG-MQVJKMGUSA-N 2 0 300.437 3.664 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000624307351 1019290379 /nfs/dbraw/zinc/29/03/79/1019290379.db2.gz HVQXDPXEXWUWAX-ZDUSSCGKSA-N 2 0 314.395 3.611 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000672618109 1019320659 /nfs/dbraw/zinc/32/06/59/1019320659.db2.gz ATJNYRXKFUQMCX-LXTVHRRPSA-N 2 0 304.400 3.572 20 0 DHADRP O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090545487 1019407385 /nfs/dbraw/zinc/40/73/85/1019407385.db2.gz BJIFTCMWNIDJMQ-FXAWDEMLSA-N 2 0 322.537 3.704 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC1(C)C ZINC001171640349 1032835827 /nfs/dbraw/zinc/83/58/27/1032835827.db2.gz DLXAUSRDLCJSDA-GOSISDBHSA-N 2 0 322.537 3.919 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168703823 1019600241 /nfs/dbraw/zinc/60/02/41/1019600241.db2.gz BISOUWVOVUTTEF-BRWVUGGUSA-N 2 0 318.892 3.789 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704007 1019602442 /nfs/dbraw/zinc/60/24/42/1019602442.db2.gz COPLWBWMZBUCNV-KRWDZBQOSA-N 2 0 320.908 3.909 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(OCC)c2)CC1 ZINC000765767033 1019649950 /nfs/dbraw/zinc/64/99/50/1019649950.db2.gz JSMXJIHAKKQBSN-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000727465896 1019714808 /nfs/dbraw/zinc/71/48/08/1019714808.db2.gz OMQVHGKLUMYNAE-KRWDZBQOSA-N 2 0 311.473 3.979 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343655 1019764932 /nfs/dbraw/zinc/76/49/32/1019764932.db2.gz ZDJSVMVXFBZYRT-BSIFCXSSSA-N 2 0 324.468 3.691 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166022153 1019767602 /nfs/dbraw/zinc/76/76/02/1019767602.db2.gz UXEZPXYHDCWWOV-XLIONFOSSA-N 2 0 316.489 3.618 20 0 DHADRP Fc1ccc(/C=C\C[NH+]2CCC(n3ccnc3)CC2)cc1F ZINC000685412081 1019795314 /nfs/dbraw/zinc/79/53/14/1019795314.db2.gz MTEYKSQNSCAUEJ-UPHRSURJSA-N 2 0 303.356 3.512 20 0 DHADRP Cc1cc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c2ccccc2[nH+]1 ZINC000534530568 1019796383 /nfs/dbraw/zinc/79/63/83/1019796383.db2.gz FSRDUXKWKZWXMN-HXUWFJFHSA-N 2 0 303.409 3.564 20 0 DHADRP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166756354 1019819259 /nfs/dbraw/zinc/81/92/59/1019819259.db2.gz CTTKCIRLACJIBW-SCTDSRPQSA-N 2 0 316.489 3.999 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)Cc1cccc(OC)c1F ZINC000685462773 1019843191 /nfs/dbraw/zinc/84/31/91/1019843191.db2.gz YKDAAGWAYHUMSK-UHFFFAOYSA-N 2 0 319.424 3.505 20 0 DHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C(F)F ZINC000657909466 1019930967 /nfs/dbraw/zinc/93/09/67/1019930967.db2.gz MLNIJTABHMJPQU-CYBMUJFWSA-N 2 0 311.420 3.567 20 0 DHADRP c1nc2c(s1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000858369057 1032863651 /nfs/dbraw/zinc/86/36/51/1032863651.db2.gz FYEQXUNUWMGQPG-GPANFISMSA-N 2 0 319.518 3.907 20 0 DHADRP COCC(C)(C)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685632332 1019990509 /nfs/dbraw/zinc/99/05/09/1019990509.db2.gz ARFVOZUDLMGCBW-IBGZPJMESA-N 2 0 318.505 3.551 20 0 DHADRP COC1([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCC1 ZINC000657930188 1020009076 /nfs/dbraw/zinc/00/90/76/1020009076.db2.gz BKXJFZBTKHKVRL-WWDZGPRUSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000480628440 1020012512 /nfs/dbraw/zinc/01/25/12/1020012512.db2.gz YBOCWJALKDDPFM-BEFAXECRSA-N 2 0 304.453 3.915 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000605574605 1020063371 /nfs/dbraw/zinc/06/33/71/1020063371.db2.gz OYAKAFMGOMKSRN-UHFFFAOYSA-N 2 0 302.506 3.981 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000922505041 1020108118 /nfs/dbraw/zinc/10/81/18/1020108118.db2.gz ODMZXBDCGCEHEB-UHFFFAOYSA-N 2 0 321.896 3.930 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000922505994 1020108252 /nfs/dbraw/zinc/10/82/52/1020108252.db2.gz WPDNFZPDSHTACW-QRBPQYNOSA-N 2 0 320.521 3.578 20 0 DHADRP COC1([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCC1 ZINC000657855961 1020109827 /nfs/dbraw/zinc/10/98/27/1020109827.db2.gz KHTQSOOGTYCSTL-MRXNPFEDSA-N 2 0 304.478 3.574 20 0 DHADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067652 1020127122 /nfs/dbraw/zinc/12/71/22/1020127122.db2.gz OSTYULCBDJXBCD-ZWKOTPCHSA-N 2 0 324.553 3.928 20 0 DHADRP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067650 1020127153 /nfs/dbraw/zinc/12/71/53/1020127153.db2.gz OSTYULCBDJXBCD-ROUUACIJSA-N 2 0 324.553 3.928 20 0 DHADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066983 1020127185 /nfs/dbraw/zinc/12/71/85/1020127185.db2.gz IPVBXMZVUKAVAB-VQIMIIECSA-N 2 0 322.537 3.682 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067194 1020127227 /nfs/dbraw/zinc/12/72/27/1020127227.db2.gz LPWBCZHVWDDDSC-LPHOPBHVSA-N 2 0 310.526 3.682 20 0 DHADRP CCC[C@@H](C)[C@H](CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067193 1020127295 /nfs/dbraw/zinc/12/72/95/1020127295.db2.gz LPWBCZHVWDDDSC-APWZRJJASA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067427 1020127535 /nfs/dbraw/zinc/12/75/35/1020127535.db2.gz NZHGGBCVBFIMKR-PMACEKPBSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658071089 1020131444 /nfs/dbraw/zinc/13/14/44/1020131444.db2.gz TYYYKJJNDGTDOH-HXUWFJFHSA-N 2 0 322.537 3.682 20 0 DHADRP COCCC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096497 1020140850 /nfs/dbraw/zinc/14/08/50/1020140850.db2.gz QLCPDSYPCVLIRD-ROUUACIJSA-N 2 0 322.468 3.756 20 0 DHADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000309902982 1020180324 /nfs/dbraw/zinc/18/03/24/1020180324.db2.gz WWVRMEJGYGPPJO-KRWDZBQOSA-N 2 0 324.468 3.794 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC1(C)C ZINC000658167334 1020200256 /nfs/dbraw/zinc/20/02/56/1020200256.db2.gz XOZUDTIWXFUCHT-MOPGFXCFSA-N 2 0 315.505 3.708 20 0 DHADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166375 1020200576 /nfs/dbraw/zinc/20/05/76/1020200576.db2.gz UQXGSCURZPBZAF-RTBURBONSA-N 2 0 315.505 3.708 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000658167340 1020200770 /nfs/dbraw/zinc/20/07/70/1020200770.db2.gz XOZUDTIWXFUCHT-RBUKOAKNSA-N 2 0 315.505 3.708 20 0 DHADRP CCOc1cccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000390555092 1020206604 /nfs/dbraw/zinc/20/66/04/1020206604.db2.gz GQHCJNNTGNKMMW-FQEVSTJZSA-N 2 0 324.468 3.840 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390580861 1020208885 /nfs/dbraw/zinc/20/88/85/1020208885.db2.gz ZNUDIUBRIYNBIF-FQEVSTJZSA-N 2 0 312.432 3.888 20 0 DHADRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786205 1032883681 /nfs/dbraw/zinc/88/36/81/1032883681.db2.gz YPOZEYCQNKSRGZ-QGZVFWFLSA-N 2 0 318.480 3.783 20 0 DHADRP CC(C)(C)C[N@H+]([C@H]1Cc2cccc(F)c2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171787314 1032886282 /nfs/dbraw/zinc/88/62/82/1032886282.db2.gz JXDRFIANVQHBOF-ULQDDVLXSA-N 2 0 318.480 3.911 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658250137 1020256924 /nfs/dbraw/zinc/25/69/24/1020256924.db2.gz AXBXARYINCEGKN-SJORKVTESA-N 2 0 308.510 3.575 20 0 DHADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1OC1CC1 ZINC000347732041 1020266472 /nfs/dbraw/zinc/26/64/72/1020266472.db2.gz ANRJMNGTTCNQNY-QGZVFWFLSA-N 2 0 302.462 3.534 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658283165 1020279802 /nfs/dbraw/zinc/27/98/02/1020279802.db2.gz KFNZFYDKVUZTDP-OIISXLGYSA-N 2 0 322.443 3.778 20 0 DHADRP Cc1ccc2cc(C[NH2+]C3CCC(C)([NH+]4CCC4)CC3)[nH]c2c1 ZINC000922845632 1020305524 /nfs/dbraw/zinc/30/55/24/1020305524.db2.gz GDZMWYDQYRSMPZ-UHFFFAOYSA-N 2 0 311.473 3.973 20 0 DHADRP CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922848064 1020306849 /nfs/dbraw/zinc/30/68/49/1020306849.db2.gz LQHPIWRHWBKOLH-UHFFFAOYSA-N 2 0 302.462 3.582 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccnc3CC2)c1 ZINC000421827469 1020317876 /nfs/dbraw/zinc/31/78/76/1020317876.db2.gz XUXNNDOJSCQMSI-FQEVSTJZSA-N 2 0 323.484 3.571 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658353849 1020319938 /nfs/dbraw/zinc/31/99/38/1020319938.db2.gz SOHUNWSBCHXJJF-JCGIZDLHSA-N 2 0 318.530 3.952 20 0 DHADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354582 1020320775 /nfs/dbraw/zinc/32/07/75/1020320775.db2.gz DQVGKIOTWMSPMH-DQLDELGASA-N 2 0 312.501 3.890 20 0 DHADRP Clc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)C2 ZINC000658356362 1020322457 /nfs/dbraw/zinc/32/24/57/1020322457.db2.gz NMFLUBKAXOZZSE-LJQANCHMSA-N 2 0 318.892 3.519 20 0 DHADRP C[C@H](CCc1ccsc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357704 1020322489 /nfs/dbraw/zinc/32/24/89/1020322489.db2.gz VPNHSUSIRRSSIF-OAHLLOKOSA-N 2 0 306.519 3.781 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000658355540 1020322504 /nfs/dbraw/zinc/32/25/04/1020322504.db2.gz JNELQVQDMKUILP-GOSISDBHSA-N 2 0 301.478 3.634 20 0 DHADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000658357109 1020322952 /nfs/dbraw/zinc/32/29/52/1020322952.db2.gz RBARUGBSFADCFY-HXUWFJFHSA-N 2 0 315.505 3.880 20 0 DHADRP Fc1ccc([C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC000658355848 1020323229 /nfs/dbraw/zinc/32/32/29/1020323229.db2.gz LDUWIDDDPBLWFC-HXUWFJFHSA-N 2 0 316.464 3.988 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCc2cccnc2CC1)C1CCCCC1 ZINC000421822459 1020325778 /nfs/dbraw/zinc/32/57/78/1020325778.db2.gz XBXZXAGSYHTWMS-GOSISDBHSA-N 2 0 315.505 3.573 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)c1nccs1 ZINC000340352950 1020405177 /nfs/dbraw/zinc/40/51/77/1020405177.db2.gz COEJZADTWXVTSQ-HYVNUMGLSA-N 2 0 315.486 3.672 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000655836250 1020410458 /nfs/dbraw/zinc/41/04/58/1020410458.db2.gz GRQBJORKPOOGCA-MBOZVWFJSA-N 2 0 315.505 3.645 20 0 DHADRP c1cn(Cc2ccccc2C[NH2+]C(C2CCC2)C2CCC2)cn1 ZINC000338686075 1020457735 /nfs/dbraw/zinc/45/77/35/1020457735.db2.gz CQIUCQUAUNFQAP-UHFFFAOYSA-N 2 0 309.457 3.990 20 0 DHADRP Cc1cc(C[NH2+]CCCCCC[NH3+])cc(C)c1OC(F)F ZINC000843129009 1020487200 /nfs/dbraw/zinc/48/72/00/1020487200.db2.gz OJNMKDZHENKWOC-UHFFFAOYSA-N 2 0 300.393 3.514 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474485921 1020497302 /nfs/dbraw/zinc/49/73/02/1020497302.db2.gz GVBFEKGSBOOFGX-HESLUPGFSA-N 2 0 306.416 3.675 20 0 DHADRP C[C@@]1(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CCCS1 ZINC000628254262 1020507450 /nfs/dbraw/zinc/50/74/50/1020507450.db2.gz ULTCCEVSWPGXFY-SFHVURJKSA-N 2 0 319.518 3.685 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccccc1C[NH3+] ZINC001171960477 1032928960 /nfs/dbraw/zinc/92/89/60/1032928960.db2.gz ACQUMKNSGOEPFO-ZDUSSCGKSA-N 2 0 322.374 3.885 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)C1CCC([NH3+])CC1 ZINC001171959842 1032926162 /nfs/dbraw/zinc/92/61/62/1032926162.db2.gz IIMYOYWDFYXCJK-JQRITLKVSA-N 2 0 314.395 3.838 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)CC[C@H]1[NH3+] ZINC000647497893 1020767355 /nfs/dbraw/zinc/76/73/55/1020767355.db2.gz ZIARQFCDGBJYKZ-UKRRQHHQSA-N 2 0 300.368 3.573 20 0 DHADRP CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2C)CC[C@H]1[NH3+] ZINC000647497551 1020770331 /nfs/dbraw/zinc/77/03/31/1020770331.db2.gz MAUWFWKVTLLGPD-IUODEOHRSA-N 2 0 300.368 3.573 20 0 DHADRP CC[C@@H]1CN(Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000647498646 1020777197 /nfs/dbraw/zinc/77/71/97/1020777197.db2.gz LVKHVOKDGKGZSQ-MLGOLLRUSA-N 2 0 319.449 3.508 20 0 DHADRP Cc1cncc(CN[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171964894 1032931745 /nfs/dbraw/zinc/93/17/45/1032931745.db2.gz NINZSYBCYFHLAY-FQEVSTJZSA-N 2 0 323.484 3.923 20 0 DHADRP Cc1cnccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963530 1032931896 /nfs/dbraw/zinc/93/18/96/1032931896.db2.gz HVWKCADZTSISOD-HXUWFJFHSA-N 2 0 323.484 3.923 20 0 DHADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)CSc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001172885613 1033457530 /nfs/dbraw/zinc/45/75/30/1033457530.db2.gz QYDZFRODNRPXAC-KFWWJZLASA-N 2 0 324.921 3.704 20 0 DHADRP CCCSC[C@H](C)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000892527033 1020833997 /nfs/dbraw/zinc/83/39/97/1020833997.db2.gz GJRAMAHCYUNKMR-HNNXBMFYSA-N 2 0 303.475 3.553 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000414069197 1020842755 /nfs/dbraw/zinc/84/27/55/1020842755.db2.gz KILZRVFDYNHXLV-OAHLLOKOSA-N 2 0 302.462 3.529 20 0 DHADRP C[C@@H]([NH3+])c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967313 1032936546 /nfs/dbraw/zinc/93/65/46/1032936546.db2.gz YYRBHWQWHOCQIN-WBVHZDCISA-N 2 0 312.461 3.519 20 0 DHADRP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001171967433 1032936976 /nfs/dbraw/zinc/93/69/76/1032936976.db2.gz ZXFOESQJOHACBQ-OALUTQOASA-N 2 0 318.505 3.690 20 0 DHADRP CC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171966292 1032938839 /nfs/dbraw/zinc/93/88/39/1032938839.db2.gz PHNUWDHVNXDZJX-AWEZNQCLSA-N 2 0 316.411 3.910 20 0 DHADRP CC1(C)C[C@H]([NH2+]CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171966061 1032939053 /nfs/dbraw/zinc/93/90/53/1032939053.db2.gz SGQCMDLWHKSGJY-HXUWFJFHSA-N 2 0 323.484 3.657 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CCS2 ZINC000414169390 1020957965 /nfs/dbraw/zinc/95/79/65/1020957965.db2.gz BBJFAQCIQUTNIZ-PBHICJAKSA-N 2 0 320.502 3.554 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414173387 1020962289 /nfs/dbraw/zinc/96/22/89/1020962289.db2.gz FOZWVVVJFQEYIK-DNVCBOLYSA-N 2 0 316.489 3.739 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182375 1020969263 /nfs/dbraw/zinc/96/92/63/1020969263.db2.gz MYZKVJKCCJDRAS-ASUKHRCTSA-N 2 0 310.844 3.653 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000414188431 1020974691 /nfs/dbraw/zinc/97/46/91/1020974691.db2.gz QRIKYRQQIAKYKY-WMLDXEAASA-N 2 0 322.880 3.875 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414191855 1020979798 /nfs/dbraw/zinc/97/97/98/1020979798.db2.gz RZSUILPMTIRPIZ-XAMWDVODSA-N 2 0 316.489 3.509 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414190530 1020979854 /nfs/dbraw/zinc/97/98/54/1020979854.db2.gz RUWSVUAEJWDXIC-IRXDYDNUSA-N 2 0 304.478 3.856 20 0 DHADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1SC ZINC000414198270 1020985025 /nfs/dbraw/zinc/98/50/25/1020985025.db2.gz WWWLGXQMNBEUIE-LSDHHAIUSA-N 2 0 322.518 3.800 20 0 DHADRP COCC[C@H](C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000414200172 1020987547 /nfs/dbraw/zinc/98/75/47/1020987547.db2.gz AWVNFJAWPTVVBB-INIZCTEOSA-N 2 0 312.542 3.928 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414200103 1020988069 /nfs/dbraw/zinc/98/80/69/1020988069.db2.gz XHFUIMYGBPGFOQ-QUCCMNQESA-N 2 0 318.505 3.549 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000613491547 1020998777 /nfs/dbraw/zinc/99/87/77/1020998777.db2.gz WWQVDIWMOWIGHV-UHFFFAOYSA-N 2 0 322.468 3.648 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)[C@@H](C)C1 ZINC000414242764 1021026906 /nfs/dbraw/zinc/02/69/06/1021026906.db2.gz QGTNABPERNIIMV-WMLDXEAASA-N 2 0 322.443 3.706 20 0 DHADRP CC(C)CSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000537948284 1032950095 /nfs/dbraw/zinc/95/00/95/1032950095.db2.gz FSWKRABPJLWGGJ-HKUYNNGSSA-N 2 0 320.546 3.876 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000537952443 1032951653 /nfs/dbraw/zinc/95/16/53/1032951653.db2.gz FRFXHINPBOHHIO-CABCVRRESA-N 2 0 310.432 3.983 20 0 DHADRP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000414308504 1021078974 /nfs/dbraw/zinc/07/89/74/1021078974.db2.gz QLZGCADGRSZERL-XYJFISCASA-N 2 0 308.510 3.577 20 0 DHADRP Cc1occc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000414321023 1021090156 /nfs/dbraw/zinc/09/01/56/1021090156.db2.gz QHKQWJGWPMSUPH-UHFFFAOYSA-N 2 0 304.459 3.651 20 0 DHADRP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000537964264 1032955196 /nfs/dbraw/zinc/95/51/96/1032955196.db2.gz KZTMVMMDAMHWEH-KBXCAEBGSA-N 2 0 322.468 3.754 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414360514 1021133160 /nfs/dbraw/zinc/13/31/60/1021133160.db2.gz QTZPOXXNAABBFW-JSGCOSHPSA-N 2 0 300.368 3.586 20 0 DHADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)C1CCC(C(F)(F)F)CC1 ZINC000423174655 1021141386 /nfs/dbraw/zinc/14/13/86/1021141386.db2.gz BQQMVTFYMDDNQE-HSBZDZAISA-N 2 0 306.416 3.995 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423362425 1021188841 /nfs/dbraw/zinc/18/88/41/1021188841.db2.gz HSOOMJZCGBUMGO-WQVCFCJDSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC[NH2+]1 ZINC000423369742 1021189871 /nfs/dbraw/zinc/18/98/71/1021189871.db2.gz GFBZYMUJPGCHAV-DJSGYFEHSA-N 2 0 323.278 3.557 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000537987740 1032960844 /nfs/dbraw/zinc/96/08/44/1032960844.db2.gz PTQUCJAGERIOGP-WFASDCNBSA-N 2 0 312.860 3.687 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423452872 1021243394 /nfs/dbraw/zinc/24/33/94/1021243394.db2.gz KGGDWVAQMRYHEC-ABAIWWIYSA-N 2 0 311.267 3.544 20 0 DHADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000423474750 1021256027 /nfs/dbraw/zinc/25/60/27/1021256027.db2.gz IMHWJMZGOXBLRD-WOJBJXKFSA-N 2 0 309.457 3.502 20 0 DHADRP CC(C)(O)C(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978973 1032968503 /nfs/dbraw/zinc/96/85/03/1032968503.db2.gz JNUWSOGOZYYRGR-KRWDZBQOSA-N 2 0 318.505 3.569 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCC(C(F)(F)F)CC1 ZINC000449559986 1021316285 /nfs/dbraw/zinc/31/62/85/1021316285.db2.gz DRZVRDSOEFPBQV-HFHWGPNISA-N 2 0 318.427 3.958 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000129027146 1021407994 /nfs/dbraw/zinc/40/79/94/1021407994.db2.gz QCLDAMHGTLZYNX-LPHOPBHVSA-N 2 0 304.478 3.638 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000538059174 1032981971 /nfs/dbraw/zinc/98/19/71/1032981971.db2.gz NTVIBXNHXDDEEG-KXBFYZLASA-N 2 0 304.453 3.988 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422754 1021524983 /nfs/dbraw/zinc/52/49/83/1021524983.db2.gz BRCRRNVUCVHVPS-MRXNPFEDSA-N 2 0 316.489 3.783 20 0 DHADRP CCC[N@H+](Cc1sc(C2CC[NH2+]CC2)nc1C)[C@@H](C)CC ZINC001204630715 1021541680 /nfs/dbraw/zinc/54/16/80/1021541680.db2.gz RVWCUBOYPIGEKD-ZDUSSCGKSA-N 2 0 309.523 3.929 20 0 DHADRP CC(C)OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064088 1032990309 /nfs/dbraw/zinc/99/03/09/1032990309.db2.gz FNOBBIBLUBUWDH-OWZKRDHZSA-N 2 0 316.489 3.587 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000850542164 1021595369 /nfs/dbraw/zinc/59/53/69/1021595369.db2.gz IQZCJBMISNDXFV-PXNSSMCTSA-N 2 0 315.505 3.503 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000850542163 1021595418 /nfs/dbraw/zinc/59/54/18/1021595418.db2.gz IQZCJBMISNDXFV-FXAWDEMLSA-N 2 0 315.505 3.503 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000850542166 1021596051 /nfs/dbraw/zinc/59/60/51/1021596051.db2.gz IQZCJBMISNDXFV-YLJYHZDGSA-N 2 0 315.505 3.503 20 0 DHADRP c1c2ccccc2sc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597236 1021629700 /nfs/dbraw/zinc/62/97/00/1021629700.db2.gz QJMWHZMMZPWVPH-OAHLLOKOSA-N 2 0 300.471 3.819 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(-c3ccccn3)c2)[C@H](C)C1 ZINC000093639320 1021637159 /nfs/dbraw/zinc/63/71/59/1021637159.db2.gz XXMJCPZHLNMRFO-DYESRHJHSA-N 2 0 323.484 3.911 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093941016 1021702014 /nfs/dbraw/zinc/70/20/14/1021702014.db2.gz CLFDUENQLSNBSU-SJORKVTESA-N 2 0 305.510 3.914 20 0 DHADRP COc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1Cl ZINC000659851136 1021771825 /nfs/dbraw/zinc/77/18/25/1021771825.db2.gz FYGUTDDSWJQEHI-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc3ccccc3c1)C2 ZINC001172105970 1033004682 /nfs/dbraw/zinc/00/46/82/1033004682.db2.gz LTVJVUOCCYOZKC-MZADTFQBSA-N 2 0 308.469 3.987 20 0 DHADRP CCCSC[C@H](C)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000893080129 1021885469 /nfs/dbraw/zinc/88/54/69/1021885469.db2.gz NCSNIQKFFCNLHZ-DOTOQJQBSA-N 2 0 317.502 3.825 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000556869736 1021910470 /nfs/dbraw/zinc/91/04/70/1021910470.db2.gz JZEDWKFKBNVFIW-DCCYDQLOSA-N 2 0 300.490 3.860 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000556869094 1021912465 /nfs/dbraw/zinc/91/24/65/1021912465.db2.gz CMYDASICPXGTKW-QXAKKESOSA-N 2 0 300.490 3.735 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000556877913 1021924328 /nfs/dbraw/zinc/92/43/28/1021924328.db2.gz HXKCTBSYOPUISB-FAJAVTLNSA-N 2 0 316.464 3.924 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cccc3c2OC(C)(C)C3)C1 ZINC000556925818 1021948503 /nfs/dbraw/zinc/94/85/03/1021948503.db2.gz FRRHGCKUZNXZID-INIZCTEOSA-N 2 0 316.489 3.564 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933378 1021957245 /nfs/dbraw/zinc/95/72/45/1021957245.db2.gz CICLSEXXUXWPPH-QFBILLFUSA-N 2 0 304.453 3.565 20 0 DHADRP COc1c(F)cccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115738 1033018727 /nfs/dbraw/zinc/01/87/27/1033018727.db2.gz ZTGWXKWXIYGOKU-APIJFGDWSA-N 2 0 306.425 3.500 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000044532799 1021986941 /nfs/dbraw/zinc/98/69/41/1021986941.db2.gz VAYSPZFEVCMDST-SWLSCSKDSA-N 2 0 310.894 3.808 20 0 DHADRP CCC[NH+]1CCC(Nc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000191586118 1022004697 /nfs/dbraw/zinc/00/46/97/1022004697.db2.gz HDUDCKLYAUHTAK-UHFFFAOYSA-N 2 0 303.494 3.815 20 0 DHADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000851813368 1022012929 /nfs/dbraw/zinc/01/29/29/1022012929.db2.gz UIPWKHCLEYYHBM-BHIYHBOVSA-N 2 0 308.510 3.530 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001172119332 1033024877 /nfs/dbraw/zinc/02/48/77/1033024877.db2.gz YQOXDTYXAWZEDR-WCXIOVBPSA-N 2 0 323.484 3.645 20 0 DHADRP CCC[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000538281395 1033025563 /nfs/dbraw/zinc/02/55/63/1033025563.db2.gz AXWSOYMGAWAOOW-AZUAARDMSA-N 2 0 300.490 3.988 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001172119331 1033026300 /nfs/dbraw/zinc/02/63/00/1033026300.db2.gz YQOXDTYXAWZEDR-NXOAAHMSSA-N 2 0 323.484 3.645 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)CCc2ccccc2)C1 ZINC000538305410 1033029307 /nfs/dbraw/zinc/02/93/07/1033029307.db2.gz QMYABZDPZAEHIC-UYAOXDASSA-N 2 0 302.506 3.919 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(CC)CC ZINC000766487500 1022125435 /nfs/dbraw/zinc/12/54/35/1022125435.db2.gz IAHSAVLMSCYDMQ-SJORKVTESA-N 2 0 310.526 3.823 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(N2CCCC2)c1 ZINC000893168438 1022125571 /nfs/dbraw/zinc/12/55/71/1022125571.db2.gz MYFWMIOHVSEKAN-UXDRXVOSSA-N 2 0 313.489 3.563 20 0 DHADRP C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CCC[C@H]1C[NH3+] ZINC001205993653 1022147210 /nfs/dbraw/zinc/14/72/10/1022147210.db2.gz IFCJDMBZRWHFGF-NEPJUHHUSA-N 2 0 318.358 3.651 20 0 DHADRP CC(C)n1cc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000766511588 1022161599 /nfs/dbraw/zinc/16/15/99/1022161599.db2.gz FDMXRARINYCWTO-IVMQYODDSA-N 2 0 318.509 3.912 20 0 DHADRP COc1cccc([C@]2(C)CC[N@H+](CCCCCCC[NH3+])C2)c1 ZINC000852758472 1022172785 /nfs/dbraw/zinc/17/27/85/1022172785.db2.gz ADDWNYVUNZNAEW-LJQANCHMSA-N 2 0 304.478 3.568 20 0 DHADRP Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc1C ZINC000414166776 1022174631 /nfs/dbraw/zinc/17/46/31/1022174631.db2.gz ODJAGOWNKJEIPG-ICSRJNTNSA-N 2 0 309.457 3.624 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CCCO2 ZINC000852782301 1022177018 /nfs/dbraw/zinc/17/70/18/1022177018.db2.gz IWWDMJSOTULPDO-QAPCUYQASA-N 2 0 302.462 3.537 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000338954192 1022192512 /nfs/dbraw/zinc/19/25/12/1022192512.db2.gz JUDHBNBNHKSFDE-MRXNPFEDSA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)sc1C ZINC000893189683 1022197396 /nfs/dbraw/zinc/19/73/96/1022197396.db2.gz QYGQSUKTMVEUKC-UHFFFAOYSA-N 2 0 321.534 3.893 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205996337 1022227182 /nfs/dbraw/zinc/22/71/82/1022227182.db2.gz WHHQADXPJOEAIH-OCCSQVGLSA-N 2 0 300.368 3.512 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC000153608021 1022228589 /nfs/dbraw/zinc/22/85/89/1022228589.db2.gz UJNNPCSTSJMDIZ-GJZGRUSLSA-N 2 0 308.441 3.605 20 0 DHADRP Cc1cccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309907775 1022238682 /nfs/dbraw/zinc/23/86/82/1022238682.db2.gz QZXBHIKQXYSODN-NRFANRHFSA-N 2 0 308.469 3.997 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241761 1022241067 /nfs/dbraw/zinc/24/10/67/1022241067.db2.gz XOEJYSHLBKAGGE-SJLPKXTDSA-N 2 0 316.489 3.858 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3c(Cl)cccc31)C2 ZINC001169122538 1022259401 /nfs/dbraw/zinc/25/94/01/1022259401.db2.gz AFSOURLLDPKZSC-AHXJXLJNSA-N 2 0 304.865 3.932 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C(C)(C)C[NH3+])c3ccccc31)C2 ZINC001169114101 1022270736 /nfs/dbraw/zinc/27/07/36/1022270736.db2.gz XJHKPDNMVGWCLS-ZSHCYNCHSA-N 2 0 311.473 3.675 20 0 DHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659974484 1022274186 /nfs/dbraw/zinc/27/41/86/1022274186.db2.gz MWBIYSVPCZBBPM-ICSRJNTNSA-N 2 0 312.501 3.770 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1c1ccccc1F)C2 ZINC001169142426 1022275307 /nfs/dbraw/zinc/27/53/07/1022275307.db2.gz UMVSJGSVKRVKQE-MKSNKDDYSA-N 2 0 302.437 3.978 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3cccc(Cl)c3)C1)C2 ZINC001169147095 1022277642 /nfs/dbraw/zinc/27/76/42/1022277642.db2.gz SRDALMNKNCOPRR-OWLYRPNTSA-N 2 0 304.865 3.755 20 0 DHADRP Cc1[nH]c2ccc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2[nH+]1 ZINC001169147165 1022277777 /nfs/dbraw/zinc/27/77/77/1022277777.db2.gz SQJDETSWRIQFEB-KSSFIOAISA-N 2 0 300.450 3.827 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](Sc3ccc(F)cc3)C1)C2 ZINC001169155765 1022285224 /nfs/dbraw/zinc/28/52/24/1022285224.db2.gz UMXBPBCPCNANRG-LHHMISFZSA-N 2 0 320.477 3.617 20 0 DHADRP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003490 1022288942 /nfs/dbraw/zinc/28/89/42/1022288942.db2.gz ISCCTKNSOAJXDK-KBPBESRZSA-N 2 0 310.869 3.546 20 0 DHADRP CC[NH+]1CCC([NH2+]CCSCc2ccccc2Cl)CC1 ZINC001169225368 1022312028 /nfs/dbraw/zinc/31/20/28/1022312028.db2.gz UJPTTWWUYJHSQR-UHFFFAOYSA-N 2 0 312.910 3.647 20 0 DHADRP FCC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000367626461 1022387555 /nfs/dbraw/zinc/38/75/55/1022387555.db2.gz OFJSUFMQGIPMLO-RHSMWYFYSA-N 2 0 310.482 3.830 20 0 DHADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[PH+](C(C)C)C(C)C ZINC001169457364 1022421183 /nfs/dbraw/zinc/42/11/83/1022421183.db2.gz FDTSIISRHRBSHU-OAHLLOKOSA-N 2 0 302.443 3.522 20 0 DHADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269971995 1022424220 /nfs/dbraw/zinc/42/42/20/1022424220.db2.gz ONHJPBZILICINU-NEWSRXKRSA-N 2 0 300.490 3.959 20 0 DHADRP CC(C)CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1(C)C ZINC000538394679 1033050947 /nfs/dbraw/zinc/05/09/47/1033050947.db2.gz KDCCUUPGCXIZRT-MOPGFXCFSA-N 2 0 322.537 3.823 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000671098942 1022440431 /nfs/dbraw/zinc/44/04/31/1022440431.db2.gz JZLYFQPXKKBDHZ-DLBZAZTESA-N 2 0 318.505 3.964 20 0 DHADRP C[C@H]([NH2+]Cc1ccsc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272175968 1022493776 /nfs/dbraw/zinc/49/37/76/1022493776.db2.gz JBNBCYRTMUIOLI-YJBOKZPZSA-N 2 0 300.471 3.748 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000272394868 1022501499 /nfs/dbraw/zinc/50/14/99/1022501499.db2.gz AGFWRZFOUGYKJQ-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(SC)o2)c1 ZINC000641717584 1022569228 /nfs/dbraw/zinc/56/92/28/1022569228.db2.gz MKZIEUSTDJQQCF-UHFFFAOYSA-N 2 0 304.459 3.743 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C/C=C(\C)CCC=C(C)C)CC1 ZINC001172247746 1033065783 /nfs/dbraw/zinc/06/57/83/1033065783.db2.gz UTGAAMXUEFJSAC-GIJQJNRQSA-N 2 0 308.510 3.770 20 0 DHADRP CC(C)(C[NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCCCO1 ZINC000925582367 1022607591 /nfs/dbraw/zinc/60/75/91/1022607591.db2.gz ZFHBPMYSRNGYAC-ZWKOTPCHSA-N 2 0 304.478 3.652 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230610 1022616854 /nfs/dbraw/zinc/61/68/54/1022616854.db2.gz LNQRUQIRYPXMGD-CJNGLKHVSA-N 2 0 312.404 3.671 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417303909 1022668202 /nfs/dbraw/zinc/66/82/02/1022668202.db2.gz DTHIZHDZJRTGOJ-VNQPRFMTSA-N 2 0 303.475 3.815 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000159045927 1022684634 /nfs/dbraw/zinc/68/46/34/1022684634.db2.gz RALKNUIIDMFGRE-KRWDZBQOSA-N 2 0 318.505 3.962 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000159135610 1022692502 /nfs/dbraw/zinc/69/25/02/1022692502.db2.gz SJKBRAIKAYEIED-IRXDYDNUSA-N 2 0 310.526 3.682 20 0 DHADRP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1cc[nH+]c(C)c1 ZINC001279787527 1022727758 /nfs/dbraw/zinc/72/77/58/1022727758.db2.gz PGZDZKUMKGQBMS-YTQUADARSA-N 2 0 301.478 3.869 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1)CC(C)C ZINC000660172222 1022766589 /nfs/dbraw/zinc/76/65/89/1022766589.db2.gz OKAZMOGMISURBE-IEBWSBKVSA-N 2 0 310.526 3.634 20 0 DHADRP CCC[N@H+](C/C=C\Cl)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000767899010 1022837231 /nfs/dbraw/zinc/83/72/31/1022837231.db2.gz KKNTZAHHWDLAQZ-YVMONPNESA-N 2 0 322.884 3.527 20 0 DHADRP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001172320133 1033085749 /nfs/dbraw/zinc/08/57/49/1033085749.db2.gz VIUHVZOHWFWTSR-ZIFCJYIRSA-N 2 0 306.494 3.863 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000621775524 1022870203 /nfs/dbraw/zinc/87/02/03/1022870203.db2.gz QVHXCGGCWKATSL-RTWAWAEBSA-N 2 0 323.484 3.562 20 0 DHADRP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768088901 1022878168 /nfs/dbraw/zinc/87/81/68/1022878168.db2.gz DDBZUKDYHLKBNS-SFHVURJKSA-N 2 0 302.462 3.538 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000162507729 1022878487 /nfs/dbraw/zinc/87/84/87/1022878487.db2.gz VTAWKUXNQLMRRT-OAHLLOKOSA-N 2 0 324.534 3.637 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000768096350 1022881584 /nfs/dbraw/zinc/88/15/84/1022881584.db2.gz JEJFBKLKJFQPNK-VQIMIIECSA-N 2 0 316.489 3.784 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000159242192 1022884853 /nfs/dbraw/zinc/88/48/53/1022884853.db2.gz WLJNGKOINDHKGT-BHIYHBOVSA-N 2 0 310.526 3.538 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414909055 1022903638 /nfs/dbraw/zinc/90/36/38/1022903638.db2.gz BVDPUJGPLOWXTF-UXHICEINSA-N 2 0 308.469 3.700 20 0 DHADRP COc1ccc(C)cc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768202261 1022916916 /nfs/dbraw/zinc/91/69/16/1022916916.db2.gz ZQSVPRMNRJDUEM-UHFFFAOYSA-N 2 0 312.457 3.697 20 0 DHADRP Clc1ccc(CCC[NH+]2CCC3(C[NH2+]C3)CC2)cc1Cl ZINC001222203983 1022923256 /nfs/dbraw/zinc/92/32/56/1022923256.db2.gz RRTKQGWMAKXXAU-UHFFFAOYSA-N 2 0 313.272 3.611 20 0 DHADRP FC(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925640013 1022924311 /nfs/dbraw/zinc/92/43/11/1022924311.db2.gz PZMDDPLMXWMIRV-DLBZAZTESA-N 2 0 308.416 3.882 20 0 DHADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000184499407 1022937788 /nfs/dbraw/zinc/93/77/88/1022937788.db2.gz PRRZZOHNZOKAHB-JKSUJKDBSA-N 2 0 302.462 3.537 20 0 DHADRP C[C@H](CC[NH2+][C@@H](C)c1ccc2c(c1)CCO2)[NH+]1CCCCC1 ZINC000184499391 1022938544 /nfs/dbraw/zinc/93/85/44/1022938544.db2.gz PRRZZOHNZOKAHB-CVEARBPZSA-N 2 0 302.462 3.537 20 0 DHADRP COC1CCC(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000893333197 1022940473 /nfs/dbraw/zinc/94/04/73/1022940473.db2.gz ULZVQOIWXRDRQL-UHFFFAOYSA-N 2 0 316.489 3.577 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000768301890 1022943833 /nfs/dbraw/zinc/94/38/33/1022943833.db2.gz DTHNQCACOXEPJI-UHFFFAOYSA-N 2 0 311.473 3.789 20 0 DHADRP C[C@]1(C[NH2+]Cc2ccc(O)cc2)CCCN1Cc1ccccc1 ZINC000397922018 1023003817 /nfs/dbraw/zinc/00/38/17/1023003817.db2.gz QMGFWFKDLRCTTO-HXUWFJFHSA-N 2 0 310.441 3.537 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccccc1 ZINC000415046596 1023007428 /nfs/dbraw/zinc/00/74/28/1023007428.db2.gz CVHFPYFBJVHBEY-OAHLLOKOSA-N 2 0 301.459 3.590 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(O)c1 ZINC000249638164 1023048920 /nfs/dbraw/zinc/04/89/20/1023048920.db2.gz XEOYHDNJFSZIPQ-ZOBUZTSGSA-N 2 0 302.462 3.696 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)c2ccccc2O1 ZINC000925678378 1023088638 /nfs/dbraw/zinc/08/86/38/1023088638.db2.gz DCMWVXFUSBVRJK-ATZDWAIDSA-N 2 0 310.441 3.969 20 0 DHADRP C([C@H]1CCC2(CCCCC2)O1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000364383186 1023105767 /nfs/dbraw/zinc/10/57/67/1023105767.db2.gz HZPSSKOSXDXHMR-LJQANCHMSA-N 2 0 320.521 3.865 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194212527 1023159817 /nfs/dbraw/zinc/15/98/17/1023159817.db2.gz JALNTIIZLCVCLH-PXNSSMCTSA-N 2 0 314.473 3.843 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876631588 1033112612 /nfs/dbraw/zinc/11/26/12/1033112612.db2.gz KHQHBVBCPCCARJ-UHFFFAOYSA-N 2 0 321.852 3.645 20 0 DHADRP C[N@@H+](Cc1cc2nc(Cl)ccc2s1)CC1CC[NH+](C)CC1 ZINC000876690450 1033123022 /nfs/dbraw/zinc/12/30/22/1033123022.db2.gz MBJSVDBYYWGXBQ-UHFFFAOYSA-N 2 0 323.893 3.723 20 0 DHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCC(C(F)(F)F)CC1)C2 ZINC000660665751 1023371230 /nfs/dbraw/zinc/37/12/30/1023371230.db2.gz XTBMKNWTAUNTMK-UYSNPLJNSA-N 2 0 318.427 3.773 20 0 DHADRP FC1(F)CC[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660674578 1023374258 /nfs/dbraw/zinc/37/42/58/1023374258.db2.gz AORBDHMOZBXWFV-INIZCTEOSA-N 2 0 308.416 3.676 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925720464 1023426104 /nfs/dbraw/zinc/42/61/04/1023426104.db2.gz SWNITZPEJIEHSV-BRSBDYLESA-N 2 0 310.526 3.856 20 0 DHADRP CCN1CC[NH+](CCCC[NH2+]C2CCC(CC)(CC)CC2)CC1 ZINC000651676945 1023451576 /nfs/dbraw/zinc/45/15/76/1023451576.db2.gz SFFBZVGGCVCSTQ-UHFFFAOYSA-N 2 0 323.569 3.743 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc3cnccc3o2)c1 ZINC000651706002 1023480386 /nfs/dbraw/zinc/48/03/86/1023480386.db2.gz OWEDSNBNMNUJKR-UHFFFAOYSA-N 2 0 309.413 3.569 20 0 DHADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000651728622 1023502300 /nfs/dbraw/zinc/50/23/00/1023502300.db2.gz DZQIVOCYJBUVRU-QGZVFWFLSA-N 2 0 310.526 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)[C@H](C)C1 ZINC000876764991 1033138930 /nfs/dbraw/zinc/13/89/30/1033138930.db2.gz ROWNIZQSSJYHAJ-IUODEOHRSA-N 2 0 321.852 3.643 20 0 DHADRP C[C@H](C[NH+]1CCC[C@@H](CCF)C1)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661691124 1023665096 /nfs/dbraw/zinc/66/50/96/1023665096.db2.gz TWFWQAXNZPIEKI-BCDXTJNWSA-N 2 0 316.480 3.766 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)C[C@@H]1C ZINC000538738494 1033155883 /nfs/dbraw/zinc/15/58/83/1033155883.db2.gz YUZMNGXCVVTVBI-WMZOPIPTSA-N 2 0 304.478 3.617 20 0 DHADRP C[C@H](c1nc2ccccc2s1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788488630 1023893743 /nfs/dbraw/zinc/89/37/43/1023893743.db2.gz RKLBJUUNPGBGBC-CYBMUJFWSA-N 2 0 303.475 3.631 20 0 DHADRP CC[C@H](CC(C)C)[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001172383467 1033171240 /nfs/dbraw/zinc/17/12/40/1033171240.db2.gz NHYMFKHVWNCIPT-OAHLLOKOSA-N 2 0 312.523 3.989 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000788622192 1023915698 /nfs/dbraw/zinc/91/56/98/1023915698.db2.gz PUHOENKUGOKOKG-RTBURBONSA-N 2 0 318.505 3.597 20 0 DHADRP C[N@H+](CCCC[NH2+]CCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000628304592 1024015630 /nfs/dbraw/zinc/01/56/30/1024015630.db2.gz HIRSYIMIXNXSTD-UHFFFAOYSA-N 2 0 314.395 3.712 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662249166 1024028065 /nfs/dbraw/zinc/02/80/65/1024028065.db2.gz RJVLBIKFNLDWPC-ZDUSSCGKSA-N 2 0 316.395 3.804 20 0 DHADRP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001172434890 1033175685 /nfs/dbraw/zinc/17/56/85/1033175685.db2.gz VQDHZVGIOVBZKO-ICSRJNTNSA-N 2 0 318.505 3.692 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CCCOc2ccccc2C)CC1 ZINC000531143660 1024034931 /nfs/dbraw/zinc/03/49/31/1024034931.db2.gz MTANGZBEHRUXAZ-UHFFFAOYSA-N 2 0 304.478 3.570 20 0 DHADRP c1cc(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cs1 ZINC000662280193 1024057168 /nfs/dbraw/zinc/05/71/68/1024057168.db2.gz YQJHNHNUXHNTCG-UHFFFAOYSA-N 2 0 312.482 3.773 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000538798478 1033184647 /nfs/dbraw/zinc/18/46/47/1033184647.db2.gz HRSNUEGKISNERZ-UYAOXDASSA-N 2 0 316.489 3.638 20 0 DHADRP CC(C)c1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000662282181 1024058933 /nfs/dbraw/zinc/05/89/33/1024058933.db2.gz UBASKFLPSROHLK-UXHICEINSA-N 2 0 316.489 3.528 20 0 DHADRP CC(C)c1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000662282182 1024059531 /nfs/dbraw/zinc/05/95/31/1024059531.db2.gz UBASKFLPSROHLK-VQTJNVASSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1Cl ZINC000662284003 1024065154 /nfs/dbraw/zinc/06/51/54/1024065154.db2.gz WPJDOHUJLKHAJQ-CYBMUJFWSA-N 2 0 300.833 3.837 20 0 DHADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291585 1024074944 /nfs/dbraw/zinc/07/49/44/1024074944.db2.gz ISADZBFPYKAJCO-DZGCQCFKSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294509 1024077996 /nfs/dbraw/zinc/07/79/96/1024077996.db2.gz XEEDVLUWLIDSKG-ZFWWWQNUSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1F ZINC000662302891 1024085928 /nfs/dbraw/zinc/08/59/28/1024085928.db2.gz PEIYNVDDATYWHX-HXUWFJFHSA-N 2 0 312.432 3.958 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)[C@@H]1CCC[NH3+] ZINC000662314292 1024100979 /nfs/dbraw/zinc/10/09/79/1024100979.db2.gz PHBHNODNRKLDNM-UKRRQHHQSA-N 2 0 319.474 3.743 20 0 DHADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318703 1024107121 /nfs/dbraw/zinc/10/71/21/1024107121.db2.gz DTJPRNFQOFMMHU-HIFRSBDPSA-N 2 0 314.395 3.568 20 0 DHADRP CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cn1 ZINC000268714865 1024145073 /nfs/dbraw/zinc/14/50/73/1024145073.db2.gz LWHNIWINMCGIIR-LSDHHAIUSA-N 2 0 309.417 3.501 20 0 DHADRP c1cn(Cc2ccccc2C[NH2+][C@H]2CCc3ccccc32)cn1 ZINC000268735099 1024150040 /nfs/dbraw/zinc/15/00/40/1024150040.db2.gz BGAQKIGWXDPDHI-FQEVSTJZSA-N 2 0 303.409 3.709 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193507995 1024157324 /nfs/dbraw/zinc/15/73/24/1024157324.db2.gz JDVRBYRNJNJCKB-HZPDHXFCSA-N 2 0 302.462 3.610 20 0 DHADRP Cc1ccsc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268784819 1024161083 /nfs/dbraw/zinc/16/10/83/1024161083.db2.gz BXKWFWTYDGCZCQ-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001170118982 1024161394 /nfs/dbraw/zinc/16/13/94/1024161394.db2.gz VLNXEJATRNWDKM-MAUKXSAKSA-N 2 0 304.453 3.816 20 0 DHADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343815 1024170818 /nfs/dbraw/zinc/17/08/18/1024170818.db2.gz FSXMPTMLJMBDBR-IEBWSBKVSA-N 2 0 300.490 3.638 20 0 DHADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343816 1024171350 /nfs/dbraw/zinc/17/13/50/1024171350.db2.gz FSXMPTMLJMBDBR-MJGOQNOKSA-N 2 0 300.490 3.638 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663345630 1024175484 /nfs/dbraw/zinc/17/54/84/1024175484.db2.gz MALZCWLQOPOAIJ-WBVHZDCISA-N 2 0 304.453 3.641 20 0 DHADRP CC(C)COCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172478523 1033193129 /nfs/dbraw/zinc/19/31/29/1033193129.db2.gz AZCRWLDFGMFQEC-CEXWTWQISA-N 2 0 310.526 3.776 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCOC1 ZINC000662482819 1024212668 /nfs/dbraw/zinc/21/26/68/1024212668.db2.gz HBHVNGJJKWGZHA-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP C=Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000278868568 1024230325 /nfs/dbraw/zinc/23/03/25/1024230325.db2.gz MTWZZSBKFCXMFO-KRWDZBQOSA-N 2 0 324.472 3.648 20 0 DHADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCN(C)C1CCCCC1 ZINC000876984187 1033197643 /nfs/dbraw/zinc/19/76/43/1033197643.db2.gz CTTSTMIEOGCRRS-VFNWGFHPSA-N 2 0 318.442 3.564 20 0 DHADRP Cc1ccc(CSCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000531676413 1024266896 /nfs/dbraw/zinc/26/68/96/1024266896.db2.gz AZVUNEUQNCNJIE-SOLBZPMBSA-N 2 0 306.519 3.547 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682593 1024312616 /nfs/dbraw/zinc/31/26/16/1024312616.db2.gz SKSARVAQRQTKHS-NZSAHSFTSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883256199 1024324407 /nfs/dbraw/zinc/32/44/07/1024324407.db2.gz QHJBFPCDIKISQV-RDJZCZTQSA-N 2 0 322.443 3.922 20 0 DHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC000663415200 1024324601 /nfs/dbraw/zinc/32/46/01/1024324601.db2.gz AXPSZUSKHXYYMC-GOEBONIOSA-N 2 0 306.413 3.810 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453115940 1024342658 /nfs/dbraw/zinc/34/26/58/1024342658.db2.gz XIVRQGRTNJQQKO-PKOBYXMFSA-N 2 0 303.494 3.503 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000453146578 1024352675 /nfs/dbraw/zinc/35/26/75/1024352675.db2.gz XFRKKVNCZPATMW-KRWDZBQOSA-N 2 0 315.505 3.789 20 0 DHADRP CC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)C1CCCC1 ZINC000453130566 1024357810 /nfs/dbraw/zinc/35/78/10/1024357810.db2.gz UTLJXTJBLGEOEL-SFHVURJKSA-N 2 0 301.478 3.917 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453185169 1024388590 /nfs/dbraw/zinc/38/85/90/1024388590.db2.gz XORMKMATZWPXBP-INIZCTEOSA-N 2 0 323.440 3.786 20 0 DHADRP c1cncc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CCC2)c1 ZINC000663463554 1024396599 /nfs/dbraw/zinc/39/65/99/1024396599.db2.gz ADCFOOBGFLQORG-FXAWDEMLSA-N 2 0 313.489 3.634 20 0 DHADRP CC1CCC(O)(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000663464048 1024397677 /nfs/dbraw/zinc/39/76/77/1024397677.db2.gz IERNLZPMIMGCLC-NSPNGIHDSA-N 2 0 322.537 3.560 20 0 DHADRP FC(F)C1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466429 1024403007 /nfs/dbraw/zinc/40/30/07/1024403007.db2.gz SUATUWBGPBKWER-FHERZECASA-N 2 0 300.437 3.522 20 0 DHADRP C[C@H](CCc1ccsc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464673 1024406059 /nfs/dbraw/zinc/40/60/59/1024406059.db2.gz FXDHHHIGBKKZFE-CRAIPNDOSA-N 2 0 306.519 3.781 20 0 DHADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466893 1024407863 /nfs/dbraw/zinc/40/78/63/1024407863.db2.gz BAHMSCRNCGMHBV-IEBWSBKVSA-N 2 0 314.473 3.612 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC4(COC4)CC3)CC2)C1 ZINC000883379287 1024412075 /nfs/dbraw/zinc/41/20/75/1024412075.db2.gz VOHUANTVTAMQMO-VQIMIIECSA-N 2 0 320.521 3.578 20 0 DHADRP Cc1ccc(C2CC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663466569 1024412382 /nfs/dbraw/zinc/41/23/82/1024412382.db2.gz VPXUQNFTNFJEDE-PELRDEGISA-N 2 0 312.501 3.953 20 0 DHADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453235198 1024418111 /nfs/dbraw/zinc/41/81/11/1024418111.db2.gz TYMBVWNZRCVADP-WKULXVSPSA-N 2 0 320.427 3.673 20 0 DHADRP CC1(F)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453237058 1024419223 /nfs/dbraw/zinc/41/92/23/1024419223.db2.gz MARSDSIBCPUVQX-WDEUGEGNSA-N 2 0 316.464 3.910 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000166084387 1024455201 /nfs/dbraw/zinc/45/52/01/1024455201.db2.gz NTCNAKZHAGJRSQ-OAFZBRQQSA-N 2 0 304.478 3.507 20 0 DHADRP Cc1ccc(CCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000643457113 1024470627 /nfs/dbraw/zinc/47/06/27/1024470627.db2.gz WCCJFEFNUIAGSU-MRXNPFEDSA-N 2 0 311.473 3.749 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)C1 ZINC000453346500 1024473995 /nfs/dbraw/zinc/47/39/95/1024473995.db2.gz FLLXTBZOUBHOSR-YZGWKJHDSA-N 2 0 320.521 3.532 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)n1c2ccccc2c2c1CC[NH2+]C2 ZINC001167824184 1024479206 /nfs/dbraw/zinc/47/92/06/1024479206.db2.gz CNPNZISQNZOGFF-INIZCTEOSA-N 2 0 313.489 3.970 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000538879457 1033214482 /nfs/dbraw/zinc/21/44/82/1033214482.db2.gz VMYTUTVJAUSRKX-WDSOQIARSA-N 2 0 310.526 3.560 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000663498088 1024487706 /nfs/dbraw/zinc/48/77/06/1024487706.db2.gz KXJXTXPNOHCERJ-CYBMUJFWSA-N 2 0 308.775 3.822 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000663502637 1024491693 /nfs/dbraw/zinc/49/16/93/1024491693.db2.gz JEUXUUPGXYIEOK-CYBMUJFWSA-N 2 0 319.674 3.566 20 0 DHADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000271353798 1024492757 /nfs/dbraw/zinc/49/27/57/1024492757.db2.gz DNEQXVDOEDMGHJ-QGZVFWFLSA-N 2 0 309.457 3.837 20 0 DHADRP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000538879458 1033215091 /nfs/dbraw/zinc/21/50/91/1033215091.db2.gz VMYTUTVJAUSRKX-YTQUADARSA-N 2 0 310.526 3.560 20 0 DHADRP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000453375906 1024495336 /nfs/dbraw/zinc/49/53/36/1024495336.db2.gz ULYYHCLQTAOVDF-UWJYYQICSA-N 2 0 323.484 3.699 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC001167826013 1024496782 /nfs/dbraw/zinc/49/67/82/1024496782.db2.gz LZIFBMWXARSCHY-MRXNPFEDSA-N 2 0 322.493 3.646 20 0 DHADRP Clc1cccc(CC2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453379125 1024496802 /nfs/dbraw/zinc/49/68/02/1024496802.db2.gz QKRUATIPINIGQF-IAGOWNOFSA-N 2 0 304.865 3.632 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001167826145 1024500196 /nfs/dbraw/zinc/50/01/96/1024500196.db2.gz MXVSEWREOVKYAF-AWEZNQCLSA-N 2 0 309.885 3.604 20 0 DHADRP CCCCCCN1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167826564 1024501470 /nfs/dbraw/zinc/50/14/70/1024501470.db2.gz QFDHCYNJTWIBAL-LJQANCHMSA-N 2 0 311.558 3.695 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cnn(C2CCCC2)c1 ZINC000453411601 1024505448 /nfs/dbraw/zinc/50/54/48/1024505448.db2.gz VQTQBMZGMCGYHY-HNNXBMFYSA-N 2 0 304.482 3.523 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001167827221 1024508849 /nfs/dbraw/zinc/50/88/49/1024508849.db2.gz UVTUBDZIXWNDAM-IEBWSBKVSA-N 2 0 304.478 3.570 20 0 DHADRP CCC(C)(C)OCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453418354 1024509945 /nfs/dbraw/zinc/50/99/45/1024509945.db2.gz WIUPBUHLKHNMEL-PKOBYXMFSA-N 2 0 318.505 3.692 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000925784417 1024511571 /nfs/dbraw/zinc/51/15/71/1024511571.db2.gz REZOQXKKESBWIN-IAGOWNOFSA-N 2 0 308.416 3.752 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CCS2 ZINC000453397608 1024511976 /nfs/dbraw/zinc/51/19/76/1024511976.db2.gz JRQOFRAZQTWQTN-KRWDZBQOSA-N 2 0 320.502 3.696 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453396438 1024512811 /nfs/dbraw/zinc/51/28/11/1024512811.db2.gz ITVWCGIOUTVLAE-LJQANCHMSA-N 2 0 302.462 3.537 20 0 DHADRP CCc1nc2c(s1)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000453397394 1024514765 /nfs/dbraw/zinc/51/47/65/1024514765.db2.gz JJBNQORNAZMGIJ-CQSZACIVSA-N 2 0 307.507 3.547 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)COC2 ZINC000271479587 1024517488 /nfs/dbraw/zinc/51/74/88/1024517488.db2.gz NBLOJSCQFNZNOH-AWEZNQCLSA-N 2 0 302.462 3.630 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535670 1024539226 /nfs/dbraw/zinc/53/92/26/1024539226.db2.gz HNJBYAMKRCZAIU-SZMVWBNQSA-N 2 0 318.892 3.783 20 0 DHADRP Fc1ccc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536504 1024539503 /nfs/dbraw/zinc/53/95/03/1024539503.db2.gz ULZZIXDZNABTRE-RBUKOAKNSA-N 2 0 310.416 3.647 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001167833494 1024566993 /nfs/dbraw/zinc/56/69/93/1024566993.db2.gz CAGJAHMYECEZTF-IEBWSBKVSA-N 2 0 316.489 3.702 20 0 DHADRP C[C@H]([NH2+]CC(C1CC1)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000532243528 1024590053 /nfs/dbraw/zinc/59/00/53/1024590053.db2.gz RPHHWTLEEUODMQ-HNNXBMFYSA-N 2 0 316.489 3.714 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1Br ZINC000222903463 1024658790 /nfs/dbraw/zinc/65/87/90/1024658790.db2.gz QKKRFNLFJBPDIM-NSHDSACASA-N 2 0 317.246 3.581 20 0 DHADRP CC[C@@H]1C[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170190872 1024686234 /nfs/dbraw/zinc/68/62/34/1024686234.db2.gz FZOAPVKEZVMXGR-NCXUSEDFSA-N 2 0 308.510 3.706 20 0 DHADRP CC[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CCO1 ZINC001170192262 1024686837 /nfs/dbraw/zinc/68/68/37/1024686837.db2.gz KCAFTVQPKYJFQT-LSDHHAIUSA-N 2 0 322.880 3.547 20 0 DHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2cccnc2)CC1)CC1CC1 ZINC000538950212 1033228502 /nfs/dbraw/zinc/22/85/02/1033228502.db2.gz XTBCDKAWBLAHQE-KRWDZBQOSA-N 2 0 315.505 3.977 20 0 DHADRP CC[C@H]1C[C@H]([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CCO1 ZINC001170240159 1024705103 /nfs/dbraw/zinc/70/51/03/1024705103.db2.gz OTDYECYLBWCSJH-UXHICEINSA-N 2 0 322.537 3.778 20 0 DHADRP CC[C@H]1C[C@@H]([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CCO1 ZINC001170240158 1024706360 /nfs/dbraw/zinc/70/63/60/1024706360.db2.gz OTDYECYLBWCSJH-PMACEKPBSA-N 2 0 322.537 3.778 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168160355 1024720203 /nfs/dbraw/zinc/72/02/03/1024720203.db2.gz VWGDYGTXMQFAFD-HNNXBMFYSA-N 2 0 308.897 3.981 20 0 DHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccc2[nH]ccc21 ZINC000663673829 1024767252 /nfs/dbraw/zinc/76/72/52/1024767252.db2.gz MCKWGOKUTIZZSQ-QGZVFWFLSA-N 2 0 320.440 3.521 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000350222752 1024801828 /nfs/dbraw/zinc/80/18/28/1024801828.db2.gz RBNAJHDSAUHWOA-UHFFFAOYSA-N 2 0 309.523 3.820 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC1(F)F ZINC000666227308 1024811694 /nfs/dbraw/zinc/81/16/94/1024811694.db2.gz DYXWHRBSCSIKKD-AVAUJXNBSA-N 2 0 320.427 3.815 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666239423 1024824191 /nfs/dbraw/zinc/82/41/91/1024824191.db2.gz JPUMKSUTWUQASM-ZBFHGGJFSA-N 2 0 306.881 3.517 20 0 DHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000350515696 1024824906 /nfs/dbraw/zinc/82/49/06/1024824906.db2.gz TUWZSNKCXYKPHF-PZJWPPBQSA-N 2 0 323.484 3.562 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000319924737 1024896620 /nfs/dbraw/zinc/89/66/20/1024896620.db2.gz JQGLGPHQLXVBDB-BEFAXECRSA-N 2 0 304.478 3.870 20 0 DHADRP CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001204089844 1033245719 /nfs/dbraw/zinc/24/57/19/1033245719.db2.gz RQVNXPYOOMIGAI-DFQSSKMNSA-N 2 0 316.489 3.541 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)C(C)(C)C)C1 ZINC000753724455 1024932982 /nfs/dbraw/zinc/93/29/82/1024932982.db2.gz MGYCUCWLLVGJFW-DLBZAZTESA-N 2 0 308.510 3.578 20 0 DHADRP Cn1cccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000119206518 1024954864 /nfs/dbraw/zinc/95/48/64/1024954864.db2.gz CPXNHKBLZXGDFY-UHFFFAOYSA-N 2 0 311.473 3.691 20 0 DHADRP ClC1(Cl)C[C@H]1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000877144723 1033255363 /nfs/dbraw/zinc/25/53/63/1033255363.db2.gz UBOGLKPLVOACNW-HNNXBMFYSA-N 2 0 313.272 3.566 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1F ZINC000120813999 1025055161 /nfs/dbraw/zinc/05/51/61/1025055161.db2.gz FXQRVTBJABQYOE-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000120959017 1025065135 /nfs/dbraw/zinc/06/51/35/1025065135.db2.gz LPMLQIRIGDHPPR-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000623832922 1025066833 /nfs/dbraw/zinc/06/68/33/1025066833.db2.gz LQTCZCHOACHOPY-SOLBZPMBSA-N 2 0 304.865 3.934 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@H]1CC1(F)F ZINC000666444817 1025071150 /nfs/dbraw/zinc/07/11/50/1025071150.db2.gz JYXATLVOYJPUBI-RHSMWYFYSA-N 2 0 308.416 3.806 20 0 DHADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353513083 1025103185 /nfs/dbraw/zinc/10/31/85/1025103185.db2.gz DXKNTNNDUFQQNF-WFASDCNBSA-N 2 0 318.383 3.966 20 0 DHADRP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCCN1C ZINC001172568433 1033259892 /nfs/dbraw/zinc/25/98/92/1033259892.db2.gz QRFSEFKXYLVTRP-YPMHNXCESA-N 2 0 316.823 3.623 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000353647702 1025173529 /nfs/dbraw/zinc/17/35/29/1025173529.db2.gz SARQYKBJWSCNIS-QLOJAFMTSA-N 2 0 309.457 3.633 20 0 DHADRP CSC1(C[NH2+][C@@H](CC(C)C)c2ccccn2)CC[NH+](C)CC1 ZINC000353653304 1025180230 /nfs/dbraw/zinc/18/02/30/1025180230.db2.gz YKRHARXMKHQLTQ-KRWDZBQOSA-N 2 0 321.534 3.586 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279724969 1025184067 /nfs/dbraw/zinc/18/40/67/1025184067.db2.gz MSKFDWMXUUBKHK-LPHOPBHVSA-N 2 0 304.478 3.617 20 0 DHADRP CC(C)(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000400946667 1025185339 /nfs/dbraw/zinc/18/53/39/1025185339.db2.gz FSYLFBIMTPUWHX-JOCBIADPSA-N 2 0 304.453 3.891 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279724985 1025185353 /nfs/dbraw/zinc/18/53/53/1025185353.db2.gz MSKFDWMXUUBKHK-VQIMIIECSA-N 2 0 304.478 3.617 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000353746080 1025229423 /nfs/dbraw/zinc/22/94/23/1025229423.db2.gz KTIZPJQOGGXOQD-KBXCAEBGSA-N 2 0 300.446 3.903 20 0 DHADRP Cc1[nH]c(C2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)[nH+]c1C ZINC000884705823 1025232921 /nfs/dbraw/zinc/23/29/21/1025232921.db2.gz IYGQEBYOAWAFCB-UHFFFAOYSA-N 2 0 324.350 3.824 20 0 DHADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000666611898 1025246814 /nfs/dbraw/zinc/24/68/14/1025246814.db2.gz PBXUGDVRTYGMEB-OCCSQVGLSA-N 2 0 300.368 3.525 20 0 DHADRP CC(C)(C)c1cnc(CN2CCC(c3ncc[nH]3)CC2)s1 ZINC000279840337 1025289729 /nfs/dbraw/zinc/28/97/29/1025289729.db2.gz NYNMIZLGIWQWAZ-UHFFFAOYSA-N 2 0 304.463 3.543 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1 ZINC000171126532 1025300316 /nfs/dbraw/zinc/30/03/16/1025300316.db2.gz MWVSKLBFAXRYPN-QGZVFWFLSA-N 2 0 312.457 3.868 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000539094275 1033274669 /nfs/dbraw/zinc/27/46/69/1033274669.db2.gz UYHAINYUUPABIO-FZKQIMNGSA-N 2 0 304.453 3.912 20 0 DHADRP Cn1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000354044116 1025334466 /nfs/dbraw/zinc/33/44/66/1025334466.db2.gz FOXIWLOSPNONNB-UHFFFAOYSA-N 2 0 323.484 3.513 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000124354997 1025336693 /nfs/dbraw/zinc/33/66/93/1025336693.db2.gz UXLUVRGVOUXACJ-HOTGVXAUSA-N 2 0 324.468 3.983 20 0 DHADRP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000093088927 1025349707 /nfs/dbraw/zinc/34/97/07/1025349707.db2.gz NBORDOJSWVZCJL-UHFFFAOYSA-N 2 0 318.358 3.618 20 0 DHADRP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000093089399 1025356338 /nfs/dbraw/zinc/35/63/38/1025356338.db2.gz VHORCRFZMWVQCH-UHFFFAOYSA-N 2 0 318.358 3.618 20 0 DHADRP C[N@H+](CCC[NH2+]Cc1cccc2cnccc21)C1CCCCC1 ZINC000237084528 1025377436 /nfs/dbraw/zinc/37/74/36/1025377436.db2.gz UHDWVRABDUUQCS-UHFFFAOYSA-N 2 0 311.473 3.979 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1OC ZINC000123708349 1025393582 /nfs/dbraw/zinc/39/35/82/1025393582.db2.gz PFSTUFJYMWNYBL-LJQANCHMSA-N 2 0 312.457 3.998 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(C)C)[C@H](C)C1 ZINC000539122264 1033281022 /nfs/dbraw/zinc/28/10/22/1033281022.db2.gz WIYOJLVMNAJDJZ-QZTJIDSGSA-N 2 0 312.542 3.785 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(C)co2)cc1 ZINC000885924324 1025405321 /nfs/dbraw/zinc/40/53/21/1025405321.db2.gz MZKKTFFFRFDPHZ-UHFFFAOYSA-N 2 0 316.445 3.598 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885924608 1025406030 /nfs/dbraw/zinc/40/60/30/1025406030.db2.gz RJSUJYDDWMUVFX-LJQANCHMSA-N 2 0 322.537 3.970 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000718759716 1025407128 /nfs/dbraw/zinc/40/71/28/1025407128.db2.gz GVPSSEJULSWKAI-MISYRCLQSA-N 2 0 318.505 3.834 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885999198 1025431207 /nfs/dbraw/zinc/43/12/07/1025431207.db2.gz GAKQZRLQNYNXDV-SFHVURJKSA-N 2 0 308.510 3.580 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000125574190 1025482852 /nfs/dbraw/zinc/48/28/52/1025482852.db2.gz VJEHUEPGKKBZPH-KGLIPLIRSA-N 2 0 309.523 3.787 20 0 DHADRP CC(C)(C)OCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000354719548 1025489643 /nfs/dbraw/zinc/48/96/43/1025489643.db2.gz UZZROUZYTYADPZ-WMZOPIPTSA-N 2 0 308.510 3.530 20 0 DHADRP C[C@@H](CC[N@H+](C)CC[C@H]1CCCC[NH+]1C)OCc1ccccc1 ZINC000354870396 1025530793 /nfs/dbraw/zinc/53/07/93/1025530793.db2.gz ZFUBOZQOXLPMPI-AZUAARDMSA-N 2 0 318.505 3.788 20 0 DHADRP Cc1nc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cs1 ZINC000886524507 1025676071 /nfs/dbraw/zinc/67/60/71/1025676071.db2.gz LQJBKUDWWAHRAF-KTAKPFMOSA-N 2 0 307.507 3.899 20 0 DHADRP CCc1nc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cs1 ZINC000886525019 1025678455 /nfs/dbraw/zinc/67/84/55/1025678455.db2.gz VWCNNEPMEWXUER-UHFFFAOYSA-N 2 0 307.507 3.592 20 0 DHADRP CCC(CC)(CCO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886534758 1025683676 /nfs/dbraw/zinc/68/36/76/1025683676.db2.gz NWMGMZYKUKWPTG-UHFFFAOYSA-N 2 0 310.526 3.562 20 0 DHADRP COC1CCC(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886536108 1025683929 /nfs/dbraw/zinc/68/39/29/1025683929.db2.gz APBZWYJKSHBPLW-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1nc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)sc1C ZINC000886534781 1025684138 /nfs/dbraw/zinc/68/41/38/1025684138.db2.gz OLTCTBXLYFQDBF-UHFFFAOYSA-N 2 0 307.507 3.647 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000131315276 1025697559 /nfs/dbraw/zinc/69/75/59/1025697559.db2.gz VOZRRGLCJOHYCN-ZFWWWQNUSA-N 2 0 309.523 3.929 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000131314850 1025698012 /nfs/dbraw/zinc/69/80/12/1025698012.db2.gz VOZRRGLCJOHYCN-DZGCQCFKSA-N 2 0 309.523 3.929 20 0 DHADRP Cc1cncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000886558340 1025707986 /nfs/dbraw/zinc/70/79/86/1025707986.db2.gz HACOGECYHZUVER-TYPHKJRUSA-N 2 0 321.468 3.533 20 0 DHADRP Cc1cncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000886558339 1025708124 /nfs/dbraw/zinc/70/81/24/1025708124.db2.gz HACOGECYHZUVER-JBACZVJFSA-N 2 0 321.468 3.533 20 0 DHADRP COCC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccco1 ZINC000886587890 1025724626 /nfs/dbraw/zinc/72/46/26/1025724626.db2.gz HWSTWBCHEUBUSD-HFCFLWKCSA-N 2 0 320.477 3.744 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)ccn1 ZINC000886611184 1025738360 /nfs/dbraw/zinc/73/83/60/1025738360.db2.gz VQNONHFLMQUIDB-LSJNQWAISA-N 2 0 317.477 3.538 20 0 DHADRP C[C@@H]1C[N@H+](CCc2c(Cl)cccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205981959 1025742459 /nfs/dbraw/zinc/74/24/59/1025742459.db2.gz KAKTYPWHTVFRSM-CHWSQXEVSA-N 2 0 315.288 3.843 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000886619101 1025742788 /nfs/dbraw/zinc/74/27/88/1025742788.db2.gz SCLNBDHKDHADKH-QQFBHYJXSA-N 2 0 300.437 3.809 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](CCCOCc2ccccc2)CC1 ZINC000886715887 1025827941 /nfs/dbraw/zinc/82/79/41/1025827941.db2.gz HTYNUYNAONVZIB-UHFFFAOYSA-N 2 0 316.489 3.544 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000886719887 1025830403 /nfs/dbraw/zinc/83/04/03/1025830403.db2.gz KUERHLRZBOTUDJ-OAHLLOKOSA-N 2 0 300.437 3.762 20 0 DHADRP CCSCC[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000355759394 1025831726 /nfs/dbraw/zinc/83/17/26/1025831726.db2.gz QYJBPNQBPRCAIJ-UHFFFAOYSA-N 2 0 318.486 3.754 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000076003205 1025858188 /nfs/dbraw/zinc/85/81/88/1025858188.db2.gz UMFJNFNNTYGCFC-KRWDZBQOSA-N 2 0 311.473 3.707 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(C)s2)CC1)CC1CC1 ZINC000355898994 1025878326 /nfs/dbraw/zinc/87/83/26/1025878326.db2.gz HAANGAVJLAXCPU-UHFFFAOYSA-N 2 0 321.534 3.786 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccnc2C)CC1)CC1CC1 ZINC000355897973 1025879230 /nfs/dbraw/zinc/87/92/30/1025879230.db2.gz DVKBMLVMFOTQIE-UHFFFAOYSA-N 2 0 315.505 3.724 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccccc3c2)c1 ZINC000729682504 1025926346 /nfs/dbraw/zinc/92/63/46/1025926346.db2.gz XJJKFSXPWUJPFT-UHFFFAOYSA-N 2 0 319.452 3.976 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)c(OC)c2)[C@H](C)C1 ZINC000081095659 1025974707 /nfs/dbraw/zinc/97/47/07/1025974707.db2.gz YDXMOHNWPBCUSX-GDBMZVCRSA-N 2 0 322.518 3.579 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000666743499 1026021800 /nfs/dbraw/zinc/02/18/00/1026021800.db2.gz YJSHQDONFZARRE-GOEBONIOSA-N 2 0 307.507 3.798 20 0 DHADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccccc3)c3ccccc23)CC1 ZINC001170525711 1026078517 /nfs/dbraw/zinc/07/85/17/1026078517.db2.gz MWWGWKSASGIVFX-UHFFFAOYSA-N 2 0 319.452 3.596 20 0 DHADRP c1ccc(-c2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)nc1 ZINC000093597819 1026121377 /nfs/dbraw/zinc/12/13/77/1026121377.db2.gz PKSLWBVILZVIQI-IBGZPJMESA-N 2 0 321.468 3.666 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000093688571 1026124935 /nfs/dbraw/zinc/12/49/35/1026124935.db2.gz IKNSMVAYTBUATR-UHFFFAOYSA-N 2 0 314.473 3.516 20 0 DHADRP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647790134 1026125620 /nfs/dbraw/zinc/12/56/20/1026125620.db2.gz RYBZBABHIWFBJX-HPFXQQBRSA-N 2 0 302.462 3.514 20 0 DHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419341521 1026185626 /nfs/dbraw/zinc/18/56/26/1026185626.db2.gz YUWZBLZEFSQZFW-RBUKOAKNSA-N 2 0 323.569 3.549 20 0 DHADRP Clc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCC2)cc1 ZINC000647792155 1026195012 /nfs/dbraw/zinc/19/50/12/1026195012.db2.gz UPJFNMCHFZRHFA-GRDNDAEWSA-N 2 0 304.865 3.697 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000245763081 1026203814 /nfs/dbraw/zinc/20/38/14/1026203814.db2.gz QDUMJOOMASFQGJ-UWJYYQICSA-N 2 0 323.484 3.911 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C(C2CC2)C2CC2)C3)cc1 ZINC000245778685 1026209800 /nfs/dbraw/zinc/20/98/00/1026209800.db2.gz YPIALJZCFBIUIU-OWZKRDHZSA-N 2 0 310.485 3.960 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571431459 1026280343 /nfs/dbraw/zinc/28/03/43/1026280343.db2.gz HJQVIVLJRWZRLZ-HOTGVXAUSA-N 2 0 321.534 3.840 20 0 DHADRP CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793803 1026283672 /nfs/dbraw/zinc/28/36/72/1026283672.db2.gz ISCSXWDZOVHGOH-QBPKDAKJSA-N 2 0 304.503 3.535 20 0 DHADRP CCCCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)(C)C ZINC000808706322 1026358158 /nfs/dbraw/zinc/35/81/58/1026358158.db2.gz HBRPZJSQNJJJPQ-QYZOEREBSA-N 2 0 324.553 3.949 20 0 DHADRP CCCCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000808701069 1026375857 /nfs/dbraw/zinc/37/58/57/1026375857.db2.gz PCIIUXQVJYKOJN-GOSISDBHSA-N 2 0 311.558 3.597 20 0 DHADRP c1cncc(-c2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)c1 ZINC001204735089 1026471103 /nfs/dbraw/zinc/47/11/03/1026471103.db2.gz LEOREVHATRBZNJ-UHFFFAOYSA-N 2 0 321.468 3.714 20 0 DHADRP CCc1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000513367164 1026485985 /nfs/dbraw/zinc/48/59/85/1026485985.db2.gz OEIRRSZNBQJBEI-WOJBJXKFSA-N 2 0 300.490 3.913 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cc2)cc1 ZINC000261798068 1026549608 /nfs/dbraw/zinc/54/96/08/1026549608.db2.gz VPDJLLVIKRWGMM-NRFANRHFSA-N 2 0 324.468 3.745 20 0 DHADRP CO[C@H](C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924908354 1026557047 /nfs/dbraw/zinc/55/70/47/1026557047.db2.gz GTFTUWUXGHWPMB-VOBGVNJCSA-N 2 0 316.489 3.587 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCSc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000513677913 1026557565 /nfs/dbraw/zinc/55/75/65/1026557565.db2.gz DWOVHQVNRHMSDC-BZSNNMDCSA-N 2 0 304.503 3.631 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000513683061 1026558775 /nfs/dbraw/zinc/55/87/75/1026558775.db2.gz FXPCVENWXPQCPV-OKZBNKHCSA-N 2 0 306.881 3.735 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000513665368 1026559185 /nfs/dbraw/zinc/55/91/85/1026559185.db2.gz DWKDDXYYCQXCMO-FHWLQOOXSA-N 2 0 316.464 3.611 20 0 DHADRP Cc1ccncc1CCC[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000809625154 1026575938 /nfs/dbraw/zinc/57/59/38/1026575938.db2.gz ZAGVYTBLGMRLGF-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000809738965 1026611491 /nfs/dbraw/zinc/61/14/91/1026611491.db2.gz RHRUPZYHVGTMEZ-LEWJYISDSA-N 2 0 308.469 3.984 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000280271369 1026622542 /nfs/dbraw/zinc/62/25/42/1026622542.db2.gz KTYYQTLHMTTYEN-FQEVSTJZSA-N 2 0 309.457 3.774 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)ccc1OC ZINC000810257213 1026730739 /nfs/dbraw/zinc/73/07/39/1026730739.db2.gz NHJAWQJXLKSFFJ-OAGGEKHMSA-N 2 0 322.493 3.611 20 0 DHADRP Cc1cc(C[N@H+](C)CCCn2ccnc2)ccc1C(F)(F)F ZINC000414441785 1026784199 /nfs/dbraw/zinc/78/41/99/1026784199.db2.gz KFDHMSCZIZVSKM-UHFFFAOYSA-N 2 0 311.351 3.732 20 0 DHADRP C[NH2+]CC1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)CC1 ZINC000420183556 1026784915 /nfs/dbraw/zinc/78/49/15/1026784915.db2.gz HGWVGPQTUNLPSP-UHFFFAOYSA-N 2 0 317.864 3.941 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2csc3ccccc23)[C@H]2CCC[C@H]21 ZINC000513717186 1026785250 /nfs/dbraw/zinc/78/52/50/1026785250.db2.gz MHWXSAPVMRHZPV-FGTMMUONSA-N 2 0 314.498 3.906 20 0 DHADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420263413 1026793509 /nfs/dbraw/zinc/79/35/09/1026793509.db2.gz SLTMIWJLCZXVEC-ZIAGYGMSSA-N 2 0 315.848 3.551 20 0 DHADRP Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000420254664 1026795279 /nfs/dbraw/zinc/79/52/79/1026795279.db2.gz GOENSJMPAMWUNT-ZIAGYGMSSA-N 2 0 315.848 3.551 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000420294104 1026795996 /nfs/dbraw/zinc/79/59/96/1026795996.db2.gz ANYZMVXBYXOHLE-PZJWPPBQSA-N 2 0 324.468 3.869 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](c3ccccc3C)C2)cc1 ZINC000420297784 1026796398 /nfs/dbraw/zinc/79/63/98/1026796398.db2.gz GEQDPSURDYNLAU-RTBURBONSA-N 2 0 324.468 3.535 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000420297386 1026796502 /nfs/dbraw/zinc/79/65/02/1026796502.db2.gz DBYXRTYUOMKVEX-WMZOPIPTSA-N 2 0 316.470 3.636 20 0 DHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302725 1026799924 /nfs/dbraw/zinc/79/99/24/1026799924.db2.gz GLVYKRVCJIONFP-CYBMUJFWSA-N 2 0 323.278 3.586 20 0 DHADRP C[C@H](c1nc2ccccc2s1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420300342 1026801218 /nfs/dbraw/zinc/80/12/18/1026801218.db2.gz KCFGSQLTTHIOIK-ZIAGYGMSSA-N 2 0 303.475 3.679 20 0 DHADRP CC(C)CCc1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420321022 1026802461 /nfs/dbraw/zinc/80/24/61/1026802461.db2.gz CDBNAIZHISJEOB-HOTGVXAUSA-N 2 0 321.534 3.553 20 0 DHADRP COc1ccc2cc(C[N@H+](C)CC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000420319300 1026802601 /nfs/dbraw/zinc/80/26/01/1026802601.db2.gz PDDZJKCYVHMXPT-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)CCC2 ZINC000420330993 1026807589 /nfs/dbraw/zinc/80/75/89/1026807589.db2.gz QLOATJJEXFHDNQ-GPMSIDNRSA-N 2 0 302.437 3.525 20 0 DHADRP C[NH+](C)Cc1ccc(NC2CC[NH+](C(C)(C)C)CC2)c(F)c1 ZINC000414497428 1026927450 /nfs/dbraw/zinc/92/74/50/1026927450.db2.gz KPORBNQMAXANQU-UHFFFAOYSA-N 2 0 307.457 3.562 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000421368044 1026965696 /nfs/dbraw/zinc/96/56/96/1026965696.db2.gz FTYFOXDMUPWXCR-UHFFFAOYSA-N 2 0 307.507 3.763 20 0 DHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000421824281 1027057417 /nfs/dbraw/zinc/05/74/17/1027057417.db2.gz HVNLCFNZGPHDOI-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP COc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)c(F)c1 ZINC000421818903 1027064166 /nfs/dbraw/zinc/06/41/66/1027064166.db2.gz DCDNRJXIMTVBAT-SPYBWZPUSA-N 2 0 320.452 3.748 20 0 DHADRP COc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)c(F)c1 ZINC000421857600 1027068064 /nfs/dbraw/zinc/06/80/64/1027068064.db2.gz PJUSMGSOCDEUFJ-BWMCOSIFSA-N 2 0 320.452 3.746 20 0 DHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000421865521 1027071862 /nfs/dbraw/zinc/07/18/62/1027071862.db2.gz ZMLSRGOOWIAJRO-UONOGXRCSA-N 2 0 310.869 3.731 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000421849205 1027074291 /nfs/dbraw/zinc/07/42/91/1027074291.db2.gz BNCSMKVHZANSGT-ZDUSSCGKSA-N 2 0 312.860 3.874 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000561975429 1027152284 /nfs/dbraw/zinc/15/22/84/1027152284.db2.gz MDDNDGDNKOKRTB-MAUKXSAKSA-N 2 0 304.453 3.593 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924954221 1027281105 /nfs/dbraw/zinc/28/11/05/1027281105.db2.gz GAOFVAHJGVKHAZ-OAQYLSRUSA-N 2 0 323.484 3.801 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000422563343 1027284776 /nfs/dbraw/zinc/28/47/76/1027284776.db2.gz SQTCCHNLKZEUMG-GJYPPUQNSA-N 2 0 309.457 3.554 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422709163 1027295891 /nfs/dbraw/zinc/29/58/91/1027295891.db2.gz CZBFDZGTYIFNLJ-NHYWBVRUSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422709162 1027297607 /nfs/dbraw/zinc/29/76/07/1027297607.db2.gz CZBFDZGTYIFNLJ-IAQYHMDHSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422709159 1027297953 /nfs/dbraw/zinc/29/79/53/1027297953.db2.gz CZBFDZGTYIFNLJ-ABAIWWIYSA-N 2 0 301.261 3.514 20 0 DHADRP CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732062 1027298422 /nfs/dbraw/zinc/29/84/22/1027298422.db2.gz NFOBFLQBKMENAW-KVSKMBFKSA-N 2 0 302.462 3.657 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422720788 1027303239 /nfs/dbraw/zinc/30/32/39/1027303239.db2.gz MWDBGMDNCGIBQO-CZUORRHYSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741376 1027309072 /nfs/dbraw/zinc/30/90/72/1027309072.db2.gz DJBSSWIQPRFTER-SCWSEQNSSA-N 2 0 322.452 3.902 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccs1 ZINC000422746768 1027311294 /nfs/dbraw/zinc/31/12/94/1027311294.db2.gz XIEROROMWZRAAF-ZBFHGGJFSA-N 2 0 302.487 3.574 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000422747094 1027311331 /nfs/dbraw/zinc/31/13/31/1027311331.db2.gz PDZRMXASCOECDR-NEPJUHHUSA-N 2 0 303.837 3.914 20 0 DHADRP Cc1cnc(CNCc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000295512228 1027311966 /nfs/dbraw/zinc/31/19/66/1027311966.db2.gz VARRDQNKKBZKMH-UHFFFAOYSA-N 2 0 303.475 3.582 20 0 DHADRP Fc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422756828 1027314277 /nfs/dbraw/zinc/31/42/77/1027314277.db2.gz CLYLRFSQRWSHGW-NXHRZFHOSA-N 2 0 322.493 3.569 20 0 DHADRP CCC(CC)(CN[C@H](C)C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422756771 1027314408 /nfs/dbraw/zinc/31/44/08/1027314408.db2.gz HJGINWCHLKZLJO-GVDBMIGSSA-N 2 0 305.510 3.611 20 0 DHADRP Cc1ccc(SCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422754896 1027315854 /nfs/dbraw/zinc/31/58/54/1027315854.db2.gz BBOARGYTGIPBDA-VQIMIIECSA-N 2 0 314.498 3.635 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000422782997 1027318363 /nfs/dbraw/zinc/31/83/63/1027318363.db2.gz MLPPPJMNNYEQPM-QMTMVMCOSA-N 2 0 300.421 3.825 20 0 DHADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422778090 1027318653 /nfs/dbraw/zinc/31/86/53/1027318653.db2.gz ABEPHPXWSOXBMF-GSEOLPGOSA-N 2 0 316.489 3.663 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422783050 1027319824 /nfs/dbraw/zinc/31/98/24/1027319824.db2.gz MOYTYYQVSMQEPQ-MOPGFXCFSA-N 2 0 305.425 3.753 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000422776230 1027320266 /nfs/dbraw/zinc/32/02/66/1027320266.db2.gz CIKMMAVRHMHTOY-LEUOFYLZSA-N 2 0 306.519 3.827 20 0 DHADRP c1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422763403 1027321131 /nfs/dbraw/zinc/32/11/31/1027321131.db2.gz NNMBHXBSHYOQPJ-JGUMPVPUSA-N 2 0 306.453 3.843 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422785745 1027321875 /nfs/dbraw/zinc/32/18/75/1027321875.db2.gz RKWYOQWWKWSDJW-VOBQZIQPSA-N 2 0 310.441 3.923 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422796513 1027322472 /nfs/dbraw/zinc/32/24/72/1027322472.db2.gz JTYBYQZEMUSDPD-HWOJHCLVSA-N 2 0 302.368 3.803 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000422805583 1027327778 /nfs/dbraw/zinc/32/77/78/1027327778.db2.gz MDTXLPWVZYNPHA-SCRDCRAPSA-N 2 0 300.368 3.744 20 0 DHADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422789499 1027329472 /nfs/dbraw/zinc/32/94/72/1027329472.db2.gz WXZUPYLHUTXEHU-QKNQBKEWSA-N 2 0 322.452 3.983 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422819928 1027334552 /nfs/dbraw/zinc/33/45/52/1027334552.db2.gz OKHJTXWTQYUKCM-DGXTUMSLSA-N 2 0 318.427 3.865 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)c2ccccc21 ZINC000422830811 1027335436 /nfs/dbraw/zinc/33/54/36/1027335436.db2.gz DBXPBEURHJIAOZ-IEBWSBKVSA-N 2 0 309.388 3.584 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422816950 1027338774 /nfs/dbraw/zinc/33/87/74/1027338774.db2.gz BTHSPBNNMULWAI-DOMZBBRYSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422835641 1027340270 /nfs/dbraw/zinc/34/02/70/1027340270.db2.gz YYTTWVVITMVQJD-WBMJQRKESA-N 2 0 312.404 3.773 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422879873 1027345277 /nfs/dbraw/zinc/34/52/77/1027345277.db2.gz MYTBSLPHEOIMTJ-JKSUJKDBSA-N 2 0 306.494 3.714 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422867388 1027346026 /nfs/dbraw/zinc/34/60/26/1027346026.db2.gz SBSTWXOWNUAJJE-IAGOWNOFSA-N 2 0 312.457 3.619 20 0 DHADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(Cl)c1 ZINC000422880946 1027347169 /nfs/dbraw/zinc/34/71/69/1027347169.db2.gz XYIXZLPICFWLAZ-SJPCQFCGSA-N 2 0 306.881 3.781 20 0 DHADRP CC(C)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422905446 1027357463 /nfs/dbraw/zinc/35/74/63/1027357463.db2.gz SCRFGNOTPGNIKZ-ABAIWWIYSA-N 2 0 300.368 3.600 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422910297 1027359523 /nfs/dbraw/zinc/35/95/23/1027359523.db2.gz QGDWCQWYZJRYJL-IUODEOHRSA-N 2 0 314.395 3.700 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422926075 1027361738 /nfs/dbraw/zinc/36/17/38/1027361738.db2.gz WCZGBGZDSRBYRJ-YQFWSFKMSA-N 2 0 322.880 3.618 20 0 DHADRP C[C@@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422926817 1027362103 /nfs/dbraw/zinc/36/21/03/1027362103.db2.gz XOVMJIBDSOTDIN-FCEWJHQRSA-N 2 0 301.478 3.613 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422923401 1027362689 /nfs/dbraw/zinc/36/26/89/1027362689.db2.gz RXZZEDOEEXZIFO-FUHIMQAGSA-N 2 0 315.505 3.861 20 0 DHADRP Clc1ccc(C[C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422936726 1027366022 /nfs/dbraw/zinc/36/60/22/1027366022.db2.gz FXBMKSMYIYYACF-IBGZPJMESA-N 2 0 314.860 3.965 20 0 DHADRP CC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422930861 1027366930 /nfs/dbraw/zinc/36/69/30/1027366930.db2.gz WIFAAYVNUHJZLI-PXNSSMCTSA-N 2 0 314.473 3.802 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917506 1027373526 /nfs/dbraw/zinc/37/35/26/1027373526.db2.gz FFFWGHGXPYAWRZ-GSEOLPGOSA-N 2 0 316.489 3.663 20 0 DHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422947399 1027375903 /nfs/dbraw/zinc/37/59/03/1027375903.db2.gz QMEIGBJRMSYFIZ-BZUAXINKSA-N 2 0 322.518 3.673 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000422945779 1027376701 /nfs/dbraw/zinc/37/67/01/1027376701.db2.gz NWIOZYOWOCVTNE-DOTOQJQBSA-N 2 0 320.477 3.667 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2ccc(F)cc2)cc1 ZINC000422946295 1027377048 /nfs/dbraw/zinc/37/70/48/1027377048.db2.gz OSUZTXXNFGYUDN-IQUTYRLHSA-N 2 0 316.420 3.639 20 0 DHADRP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170684036 1027379973 /nfs/dbraw/zinc/37/99/73/1027379973.db2.gz CAMZRXBJQQEMDC-PBHICJAKSA-N 2 0 322.443 3.663 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)c2ccccc21 ZINC000422955796 1027380344 /nfs/dbraw/zinc/38/03/44/1027380344.db2.gz NLKQZQYTBGBDTK-DLBZAZTESA-N 2 0 304.796 3.756 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422955592 1027380381 /nfs/dbraw/zinc/38/03/81/1027380381.db2.gz JQTWAKOLYNYCLD-RTBURBONSA-N 2 0 310.441 3.923 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000422981143 1027385519 /nfs/dbraw/zinc/38/55/19/1027385519.db2.gz NKFDHNWONDINGC-OUNSHVDWSA-N 2 0 316.489 3.578 20 0 DHADRP Clc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422997414 1027386195 /nfs/dbraw/zinc/38/61/95/1027386195.db2.gz AXYYEHSPBLVOIJ-HYVNUMGLSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000423049456 1027394507 /nfs/dbraw/zinc/39/45/07/1027394507.db2.gz XRJUDVOOCLPCRJ-KNXALSJPSA-N 2 0 312.379 3.539 20 0 DHADRP COc1ccc(C2(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000423033687 1027396397 /nfs/dbraw/zinc/39/63/97/1027396397.db2.gz OYALGURPEHVHIY-PMACEKPBSA-N 2 0 322.452 3.851 20 0 DHADRP Fc1cccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423027081 1027396883 /nfs/dbraw/zinc/39/68/83/1027396883.db2.gz CVHPULGWXQIKDA-IPMKNSEASA-N 2 0 319.468 3.528 20 0 DHADRP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000423033854 1027396967 /nfs/dbraw/zinc/39/69/67/1027396967.db2.gz OYALGURPEHVHIY-WOJBJXKFSA-N 2 0 322.452 3.851 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423043365 1027399587 /nfs/dbraw/zinc/39/95/87/1027399587.db2.gz ORLCKVXUOOWTPN-NFAWXSAZSA-N 2 0 314.395 3.614 20 0 DHADRP Fc1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423045588 1027401212 /nfs/dbraw/zinc/40/12/12/1027401212.db2.gz CHCMEOFSTBTVIU-LZQZEXGQSA-N 2 0 322.443 3.798 20 0 DHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423050288 1027407224 /nfs/dbraw/zinc/40/72/24/1027407224.db2.gz YWBRCOFLYDSFJT-WDSOQIARSA-N 2 0 302.437 3.869 20 0 DHADRP CCCNc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423072105 1027407556 /nfs/dbraw/zinc/40/75/56/1027407556.db2.gz GTIDTNCXEJRHMZ-CQSZACIVSA-N 2 0 312.461 3.521 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423053476 1027407644 /nfs/dbraw/zinc/40/76/44/1027407644.db2.gz SMKLIBIPEXMMFY-MGPUTAFESA-N 2 0 322.452 3.832 20 0 DHADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423080685 1027411049 /nfs/dbraw/zinc/41/10/49/1027411049.db2.gz ZVOMUMDISXSOGH-XUVXKRRUSA-N 2 0 315.505 3.909 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000423090834 1027413936 /nfs/dbraw/zinc/41/39/36/1027413936.db2.gz YLSBZCREFUEXCU-RTWAWAEBSA-N 2 0 321.468 3.637 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000423117275 1027417485 /nfs/dbraw/zinc/41/74/85/1027417485.db2.gz UPQQFQHQNDSRNL-QUCCMNQESA-N 2 0 323.415 3.974 20 0 DHADRP CCSc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423125388 1027421119 /nfs/dbraw/zinc/42/11/19/1027421119.db2.gz HZCZPDWMSSMSRH-KZNAEPCWSA-N 2 0 304.503 3.809 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000423126977 1027421781 /nfs/dbraw/zinc/42/17/81/1027421781.db2.gz BKXWMBYTQPYHTP-GFCCVEGCSA-N 2 0 319.399 3.811 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000830167677 1027425928 /nfs/dbraw/zinc/42/59/28/1027425928.db2.gz VUWMDYYJNJJYQT-UHFFFAOYSA-N 2 0 318.505 3.516 20 0 DHADRP CC(C)c1ccc(O[C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423112873 1027427321 /nfs/dbraw/zinc/42/73/21/1027427321.db2.gz SOJNQXBVQXHFPW-KLHKWILBSA-N 2 0 304.478 3.684 20 0 DHADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCC1 ZINC000423153910 1027432347 /nfs/dbraw/zinc/43/23/47/1027432347.db2.gz OBIMYIDJPKKVCE-YLJYHZDGSA-N 2 0 314.473 3.658 20 0 DHADRP COc1cc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1Cl ZINC000423140489 1027434484 /nfs/dbraw/zinc/43/44/84/1027434484.db2.gz YQQLVHPRWSYWAK-IRXDYDNUSA-N 2 0 316.832 3.626 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc2ccccc2s1 ZINC000423136508 1027435061 /nfs/dbraw/zinc/43/50/61/1027435061.db2.gz PHCPQLCZHWRYMK-KXBFYZLASA-N 2 0 324.493 3.992 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc2ccccc2s1 ZINC000423136506 1027435492 /nfs/dbraw/zinc/43/54/92/1027435492.db2.gz PHCPQLCZHWRYMK-DNVCBOLYSA-N 2 0 324.493 3.992 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(-c2ccccc2F)s1 ZINC000423181252 1027442956 /nfs/dbraw/zinc/44/29/56/1027442956.db2.gz JKBZYOSEUJNKJP-GFCCVEGCSA-N 2 0 304.434 3.957 20 0 DHADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC(F)F)cc1 ZINC000295815299 1027443453 /nfs/dbraw/zinc/44/34/53/1027443453.db2.gz BJGZHYPFWUMHPZ-BTFYYFJDSA-N 2 0 324.415 3.954 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423209719 1027445225 /nfs/dbraw/zinc/44/52/25/1027445225.db2.gz JJSAKVYAIIJKHG-DZGCQCFKSA-N 2 0 315.486 3.769 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCC([NH3+])CC1)CCCO2 ZINC000423208102 1027445352 /nfs/dbraw/zinc/44/53/52/1027445352.db2.gz CZAOIXGQRRFKDR-LEOMRAHMSA-N 2 0 302.462 3.883 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423188758 1027449862 /nfs/dbraw/zinc/44/98/62/1027449862.db2.gz QGXIJKJDBQUHBA-LLVKDONJSA-N 2 0 318.408 3.744 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000423196145 1027453141 /nfs/dbraw/zinc/45/31/41/1027453141.db2.gz ZBCBZKQQFFSBLE-OWIUFQIYSA-N 2 0 306.881 3.954 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423206519 1027456177 /nfs/dbraw/zinc/45/61/77/1027456177.db2.gz FYYDTUSFTCHICS-PKOBYXMFSA-N 2 0 324.468 3.916 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423217167 1027459228 /nfs/dbraw/zinc/45/92/28/1027459228.db2.gz PJYMZZZTAYKCGG-MRFVTOPCSA-N 2 0 303.475 3.648 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2cccc(Br)c21 ZINC000423216799 1027459722 /nfs/dbraw/zinc/45/97/22/1027459722.db2.gz OXBJTQVIGQKOKK-ZIULKBFBSA-N 2 0 323.278 3.857 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000423214590 1027459726 /nfs/dbraw/zinc/45/97/26/1027459726.db2.gz LHZJGMLHFQFPAL-OBQMCRIKSA-N 2 0 320.452 3.720 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220362 1027462080 /nfs/dbraw/zinc/46/20/80/1027462080.db2.gz YGTWAFWRONSLAT-HIFRSBDPSA-N 2 0 314.395 3.616 20 0 DHADRP COc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423218786 1027462968 /nfs/dbraw/zinc/46/29/68/1027462968.db2.gz WBJJCFWECJQWSC-DNVCBOLYSA-N 2 0 302.462 3.516 20 0 DHADRP Fc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218747 1027463135 /nfs/dbraw/zinc/46/31/35/1027463135.db2.gz VYPHGMRCBLUEHD-XLIONFOSSA-N 2 0 312.432 3.699 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423220869 1027463153 /nfs/dbraw/zinc/46/31/53/1027463153.db2.gz WCGLSAYETUQUGW-HRCADAONSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(Br)s1 ZINC000423262121 1027468741 /nfs/dbraw/zinc/46/87/41/1027468741.db2.gz ULGHMHSXRKCQLH-GHMZBOCLSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423241143 1027471443 /nfs/dbraw/zinc/47/14/43/1027471443.db2.gz DECUGAIGEJKXDC-CHWSQXEVSA-N 2 0 319.449 3.599 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423244134 1027471594 /nfs/dbraw/zinc/47/15/94/1027471594.db2.gz HGVMMIAWLNDDCZ-YJBOKZPZSA-N 2 0 302.462 3.613 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423256287 1027478802 /nfs/dbraw/zinc/47/88/02/1027478802.db2.gz DVIAFTGWMXWAGX-CZUORRHYSA-N 2 0 312.404 3.718 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000423254809 1027479410 /nfs/dbraw/zinc/47/94/10/1027479410.db2.gz ZODMRHDOLIRDOS-YXJHDRRASA-N 2 0 306.881 3.955 20 0 DHADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423292905 1027482738 /nfs/dbraw/zinc/48/27/38/1027482738.db2.gz OXPLPPYTHIEWLO-GFCCVEGCSA-N 2 0 302.384 3.744 20 0 DHADRP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(OC(F)F)cc1 ZINC000423286761 1027483291 /nfs/dbraw/zinc/48/32/91/1027483291.db2.gz IOAFWYXMBYIXSY-CQSZACIVSA-N 2 0 300.393 3.846 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)cc1 ZINC000423289419 1027483415 /nfs/dbraw/zinc/48/34/15/1027483415.db2.gz AVTGOHNEOIKMFH-CABCVRRESA-N 2 0 312.461 3.869 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000423291830 1027487095 /nfs/dbraw/zinc/48/70/95/1027487095.db2.gz KAFXKJLBMKFAKR-SCLBCKFNSA-N 2 0 318.848 3.837 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423267885 1027489861 /nfs/dbraw/zinc/48/98/61/1027489861.db2.gz FMGAKHZPAGQLFY-UONOGXRCSA-N 2 0 317.502 3.548 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423272640 1027490350 /nfs/dbraw/zinc/49/03/50/1027490350.db2.gz JZGLLEZJFZBZTE-VNQPRFMTSA-N 2 0 314.395 3.914 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])oc21 ZINC000423269329 1027490652 /nfs/dbraw/zinc/49/06/52/1027490652.db2.gz FKXXYXWDSNTJAE-NWANDNLSSA-N 2 0 302.418 3.610 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423308888 1027497709 /nfs/dbraw/zinc/49/77/09/1027497709.db2.gz PCSIOKRGALBBKN-BLLLJJGKSA-N 2 0 308.878 3.870 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423310007 1027497721 /nfs/dbraw/zinc/49/77/21/1027497721.db2.gz RAXXZBPUNPEVHU-KCPJHIHWSA-N 2 0 300.368 3.526 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423319918 1027499681 /nfs/dbraw/zinc/49/96/81/1027499681.db2.gz FPNJVVBADZWGOB-SFHVURJKSA-N 2 0 304.384 3.577 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423319021 1027500048 /nfs/dbraw/zinc/50/00/48/1027500048.db2.gz LJMCVUGTEZWBMQ-OXQOHEQNSA-N 2 0 316.489 3.680 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423321486 1027501088 /nfs/dbraw/zinc/50/10/88/1027501088.db2.gz GEHZNTFFHAURCG-RWMBFGLXSA-N 2 0 312.910 3.873 20 0 DHADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCC[NH3+])CCC3)cc1 ZINC000423345620 1027508222 /nfs/dbraw/zinc/50/82/22/1027508222.db2.gz XWHNSXYRVQNLHU-OAHLLOKOSA-N 2 0 315.486 3.824 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000423337926 1027515558 /nfs/dbraw/zinc/51/55/58/1027515558.db2.gz ULCITJBMOGIPEU-LBPRGKRZSA-N 2 0 316.367 3.626 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000423343682 1027516257 /nfs/dbraw/zinc/51/62/57/1027516257.db2.gz XBFIXJKNEQHLBR-FOIQADDNSA-N 2 0 312.457 3.889 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000423372818 1027517292 /nfs/dbraw/zinc/51/72/92/1027517292.db2.gz HFLYXMGTGQAGLG-OAQYLSRUSA-N 2 0 306.453 3.709 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423349121 1027518014 /nfs/dbraw/zinc/51/80/14/1027518014.db2.gz VEAJFJCZQCMWFZ-UYAOXDASSA-N 2 0 311.473 3.833 20 0 DHADRP Cc1cc(OCCC[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)ccc1Cl ZINC000423355528 1027519828 /nfs/dbraw/zinc/51/98/28/1027519828.db2.gz PEMHAYZKLXRTIA-OAHLLOKOSA-N 2 0 322.880 3.705 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423365198 1027524241 /nfs/dbraw/zinc/52/42/41/1027524241.db2.gz WGHRAHCYVNIAKC-OAHLLOKOSA-N 2 0 310.441 3.929 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2ccccc2n1 ZINC000423371526 1027524894 /nfs/dbraw/zinc/52/48/94/1027524894.db2.gz GLWIAYCRUJIIJB-CQSZACIVSA-N 2 0 303.409 3.689 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(OCc2ccccc2)c1 ZINC000423364587 1027525080 /nfs/dbraw/zinc/52/50/80/1027525080.db2.gz CKBACFGMNAYJOK-FIKGOQFSSA-N 2 0 324.468 3.914 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(Cl)cc2C)CC[NH+](C)CC1 ZINC000575910989 1027526745 /nfs/dbraw/zinc/52/67/45/1027526745.db2.gz QJPRGHVKGTYWMH-UHFFFAOYSA-N 2 0 312.910 3.565 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[NH2+]1 ZINC000423381767 1027527816 /nfs/dbraw/zinc/52/78/16/1027527816.db2.gz ONOGVCBQXMDJEN-XFBWCDHKSA-N 2 0 312.379 3.887 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CCCO2 ZINC000423383793 1027528707 /nfs/dbraw/zinc/52/87/07/1027528707.db2.gz FGTHOVIEATZQQO-BMGDILEWSA-N 2 0 302.462 3.611 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423389286 1027530158 /nfs/dbraw/zinc/53/01/58/1027530158.db2.gz JFTMKWUNGVXBDU-YSGRDPCXSA-N 2 0 312.432 3.697 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2cccc(Br)c21 ZINC000423386485 1027530322 /nfs/dbraw/zinc/53/03/22/1027530322.db2.gz HGLDMVGRRSUPKQ-PKIAMQTDSA-N 2 0 323.278 3.585 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CC[NH2+]1 ZINC000423385376 1027531572 /nfs/dbraw/zinc/53/15/72/1027531572.db2.gz QWGLVAAZBVBRQP-WQGACYEGSA-N 2 0 323.278 3.557 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423395006 1027533487 /nfs/dbraw/zinc/53/34/87/1027533487.db2.gz ROACJQLOPZCAON-HXUWFJFHSA-N 2 0 322.452 3.811 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423393152 1027535030 /nfs/dbraw/zinc/53/50/30/1027535030.db2.gz QNDCTRVKTBJGGJ-HXUWFJFHSA-N 2 0 322.452 3.910 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423393910 1027535526 /nfs/dbraw/zinc/53/55/26/1027535526.db2.gz MJUFQLNFJBXFHW-RLCCDNCMSA-N 2 0 312.379 3.744 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(Cl)c1 ZINC000423403839 1027537426 /nfs/dbraw/zinc/53/74/26/1027537426.db2.gz XIQDZKXDJLOBSQ-LLVKDONJSA-N 2 0 304.796 3.933 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000423406869 1027538095 /nfs/dbraw/zinc/53/80/95/1027538095.db2.gz VFGAIJWGKMACLW-UGFHNGPFSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000423408362 1027539500 /nfs/dbraw/zinc/53/95/00/1027539500.db2.gz XIUZVTJMGFOBBR-DUXKGJEZSA-N 2 0 308.469 3.948 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H](C)CCC[NH3+])cc1F ZINC000423444011 1027543923 /nfs/dbraw/zinc/54/39/23/1027543923.db2.gz AUCCMXFKFAYKRH-JLJPHGGASA-N 2 0 308.441 3.578 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000423443019 1027545589 /nfs/dbraw/zinc/54/55/89/1027545589.db2.gz QBYYNFQHMPEXOB-HZUKXOBISA-N 2 0 312.379 3.744 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)ccc2c1 ZINC000423448241 1027547748 /nfs/dbraw/zinc/54/77/48/1027547748.db2.gz USVUDCJPOZUCBX-SZFUDVHCSA-N 2 0 324.468 3.887 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H](C)CCCC[NH3+])cc1F ZINC000423437851 1027548970 /nfs/dbraw/zinc/54/89/70/1027548970.db2.gz QXKMNSYKVWFASD-HFTRVMKXSA-N 2 0 322.468 3.968 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423433124 1027550897 /nfs/dbraw/zinc/55/08/97/1027550897.db2.gz WQEPUTRSKMBJLZ-QBPKDAKJSA-N 2 0 304.478 3.542 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000423464419 1027556085 /nfs/dbraw/zinc/55/60/85/1027556085.db2.gz WANJNTWKZKZZFL-VHSXEESVSA-N 2 0 306.784 3.719 20 0 DHADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423466887 1027558033 /nfs/dbraw/zinc/55/80/33/1027558033.db2.gz NROPNKZNCKKVPT-UOVKNHIHSA-N 2 0 300.368 3.667 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]CCC[C@@H]3CCC[NH2+]3)c(C)c2c1 ZINC000423474827 1027560687 /nfs/dbraw/zinc/56/06/87/1027560687.db2.gz HQTNSKSYEOPKRG-HUUCEWRRSA-N 2 0 316.445 3.933 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)c2ccccc2)cc1 ZINC000423502812 1027563864 /nfs/dbraw/zinc/56/38/64/1027563864.db2.gz KFKQDDYNDMCBFR-QKYXUNIQSA-N 2 0 310.441 3.502 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000423503336 1027566678 /nfs/dbraw/zinc/56/66/78/1027566678.db2.gz KODPMZDRMIDUSX-HSMVNMDESA-N 2 0 323.278 3.544 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000423503340 1027568085 /nfs/dbraw/zinc/56/80/85/1027568085.db2.gz KODPMZDRMIDUSX-XHBSWPGZSA-N 2 0 323.278 3.544 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423508063 1027568811 /nfs/dbraw/zinc/56/88/11/1027568811.db2.gz NIZZVALLZURFOK-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)cs1 ZINC000423491459 1027571537 /nfs/dbraw/zinc/57/15/37/1027571537.db2.gz ZBRODNJRONVHTL-JQWIXIFHSA-N 2 0 317.296 3.693 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423491601 1027571300 /nfs/dbraw/zinc/57/13/00/1027571300.db2.gz JWYRSYWOWSCCHF-DUVNUKRYSA-N 2 0 315.486 3.897 20 0 DHADRP CC(C)[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccnc1 ZINC000423530620 1027573688 /nfs/dbraw/zinc/57/36/88/1027573688.db2.gz RLRBYBVCJCFISV-ZCXWTVJKSA-N 2 0 313.489 3.522 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423496769 1027573885 /nfs/dbraw/zinc/57/38/85/1027573885.db2.gz XOPCLLKIZAKSAT-VKJFTORMSA-N 2 0 302.462 3.741 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c2cccc(Br)c21 ZINC000423494186 1027574042 /nfs/dbraw/zinc/57/40/42/1027574042.db2.gz RXDSASBTPLSAAF-BLTAXRJOSA-N 2 0 323.278 3.714 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c2cccc(F)c2)c1 ZINC000423509262 1027576697 /nfs/dbraw/zinc/57/66/97/1027576697.db2.gz ONLYJGMTPNWWGE-YSGRDPCXSA-N 2 0 312.432 3.941 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423513129 1027577764 /nfs/dbraw/zinc/57/77/64/1027577764.db2.gz VFPLNZPHBNJNFO-APWZRJJASA-N 2 0 311.473 3.883 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000423533502 1027578178 /nfs/dbraw/zinc/57/81/78/1027578178.db2.gz XQNYKQKUZFDQMN-AEFFLSMTSA-N 2 0 320.452 3.592 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000423558557 1027580377 /nfs/dbraw/zinc/58/03/77/1027580377.db2.gz OAAMQRJHGBYEIF-CYBMUJFWSA-N 2 0 310.388 3.557 20 0 DHADRP COc1cc(Cl)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000576207260 1027582693 /nfs/dbraw/zinc/58/26/93/1027582693.db2.gz PQLSQLMRIJNDLA-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2ccncc2)cc1 ZINC000423542160 1027583262 /nfs/dbraw/zinc/58/32/62/1027583262.db2.gz LUUWEHQTABTMMI-FCRQHZQGSA-N 2 0 321.468 3.787 20 0 DHADRP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538359 1027583448 /nfs/dbraw/zinc/58/34/48/1027583448.db2.gz MMGFRFWBBIAERA-AEFFLSMTSA-N 2 0 304.865 3.876 20 0 DHADRP Fc1ccccc1[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1CCCC1 ZINC000423537119 1027583472 /nfs/dbraw/zinc/58/34/72/1027583472.db2.gz JEKFQKMGVUVLKJ-LJQANCHMSA-N 2 0 302.437 3.956 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423536217 1027583834 /nfs/dbraw/zinc/58/38/34/1027583834.db2.gz HCOVDIBCCGHTDC-FPMFFAJLSA-N 2 0 310.894 3.793 20 0 DHADRP COc1ccc(C2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000423538240 1027583910 /nfs/dbraw/zinc/58/39/10/1027583910.db2.gz MHQWPKMOWAQSRW-UHFFFAOYSA-N 2 0 314.473 3.621 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423541597 1027584018 /nfs/dbraw/zinc/58/40/18/1027584018.db2.gz SIFFJDLOLAYFHM-AWEZNQCLSA-N 2 0 313.470 3.771 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423537548 1027584100 /nfs/dbraw/zinc/58/41/00/1027584100.db2.gz DBHZINGIWXKOFR-MFCZKXCZSA-N 2 0 323.484 3.831 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc2ccccc2s1 ZINC000423541006 1027584546 /nfs/dbraw/zinc/58/45/46/1027584546.db2.gz KJYKRTAFWRUWQR-QCEMKRCNSA-N 2 0 300.471 3.940 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCCO2 ZINC000423545919 1027585737 /nfs/dbraw/zinc/58/57/37/1027585737.db2.gz POTCVJYQOQKQBQ-GKLJAUDBSA-N 2 0 320.864 3.531 20 0 DHADRP COc1ccccc1[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1CCCC1 ZINC000423545580 1027586355 /nfs/dbraw/zinc/58/63/55/1027586355.db2.gz XZUVRJDYUMFXFI-HXUWFJFHSA-N 2 0 314.473 3.826 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423555037 1027587072 /nfs/dbraw/zinc/58/70/72/1027587072.db2.gz XRFKQHLEUSRJSX-HAGHYFMRSA-N 2 0 300.490 3.622 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000576239567 1027587992 /nfs/dbraw/zinc/58/79/92/1027587992.db2.gz BJTKDSOITOAWEW-CRAIPNDOSA-N 2 0 311.473 3.911 20 0 DHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCS2 ZINC000423572675 1027590147 /nfs/dbraw/zinc/59/01/47/1027590147.db2.gz YONQUCKHRDDUHC-HNNXBMFYSA-N 2 0 308.878 3.776 20 0 DHADRP CC(C)[N@H+](CCCc1cncn1C)Cc1cccc(Cl)c1 ZINC000576289168 1027596927 /nfs/dbraw/zinc/59/69/27/1027596927.db2.gz WJHLQOLQLUKQBM-UHFFFAOYSA-N 2 0 305.853 3.917 20 0 DHADRP CCCN1CCC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000562904870 1027658603 /nfs/dbraw/zinc/65/86/03/1027658603.db2.gz MYTSCTHGPGPGGN-UYJHFMRCSA-N 2 0 308.416 3.675 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000576789086 1027660720 /nfs/dbraw/zinc/66/07/20/1027660720.db2.gz AXABWXVFMQJIPX-GOSISDBHSA-N 2 0 309.457 3.569 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3cc[nH]c3c2)c1 ZINC000527654547 1027825378 /nfs/dbraw/zinc/82/53/78/1027825378.db2.gz RMTXNHJKCGXTCD-UHFFFAOYSA-N 2 0 307.441 3.909 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000562959553 1027828183 /nfs/dbraw/zinc/82/81/83/1027828183.db2.gz IACYNSJJVWBWDB-QWHCGFSZSA-N 2 0 312.860 3.734 20 0 DHADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562958754 1027828945 /nfs/dbraw/zinc/82/89/45/1027828945.db2.gz SIWYVSPADCMXNV-VAMGGRTRSA-N 2 0 316.489 3.527 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527722901 1027843619 /nfs/dbraw/zinc/84/36/19/1027843619.db2.gz YAWWHUNBZKDOIF-NSHDSACASA-N 2 0 306.397 3.588 20 0 DHADRP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000577681241 1027883315 /nfs/dbraw/zinc/88/33/15/1027883315.db2.gz NHSGNQMRKUFSSX-OAHLLOKOSA-N 2 0 322.880 3.512 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc2cccnc12 ZINC000527813649 1027898822 /nfs/dbraw/zinc/89/88/22/1027898822.db2.gz ZAQJXMRZDXCIKB-IBGZPJMESA-N 2 0 309.457 3.650 20 0 DHADRP Cc1nc2ccc(C[NH2+]C[C@@H]3CCN3C3CCCC3)cc2s1 ZINC000527813893 1027899150 /nfs/dbraw/zinc/89/91/50/1027899150.db2.gz ZPWYAYYYNJDSCW-INIZCTEOSA-N 2 0 315.486 3.711 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([N@H+](Cc3ccccn3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170735966 1027980071 /nfs/dbraw/zinc/98/00/71/1027980071.db2.gz BZBBUFDUINOTIX-ZXSVEKQISA-N 2 0 313.489 3.588 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c(C)c1 ZINC000528005176 1028031337 /nfs/dbraw/zinc/03/13/37/1028031337.db2.gz YNPHUZLPNHJSHY-NVXWUHKLSA-N 2 0 302.462 3.671 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000366440609 1028078154 /nfs/dbraw/zinc/07/81/54/1028078154.db2.gz CEARSVJZHUDGSS-RUEOWNRQSA-N 2 0 306.881 3.904 20 0 DHADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578209437 1028092432 /nfs/dbraw/zinc/09/24/32/1028092432.db2.gz BKECHJHYUSOXOU-FUHWJXTLSA-N 2 0 304.478 3.987 20 0 DHADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578209438 1028093219 /nfs/dbraw/zinc/09/32/19/1028093219.db2.gz BKECHJHYUSOXOU-SJLPKXTDSA-N 2 0 304.478 3.987 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(OCc2ccccc2)c1 ZINC000578230947 1028095982 /nfs/dbraw/zinc/09/59/82/1028095982.db2.gz DDQKOWLWXZTYJG-KRWDZBQOSA-N 2 0 324.468 3.916 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367050711 1028127495 /nfs/dbraw/zinc/12/74/95/1028127495.db2.gz RRJGJPWFJKLPRY-QUCCMNQESA-N 2 0 315.505 3.819 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367044765 1028128261 /nfs/dbraw/zinc/12/82/61/1028128261.db2.gz XTRQJWRAPGLIIE-LPHOPBHVSA-N 2 0 301.478 3.570 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000578362658 1028130707 /nfs/dbraw/zinc/13/07/07/1028130707.db2.gz XHZVFBIALGVLJM-SFHVURJKSA-N 2 0 312.542 3.928 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000367091821 1028136167 /nfs/dbraw/zinc/13/61/67/1028136167.db2.gz BFDWXBBWYPZMDG-LJQANCHMSA-N 2 0 316.489 3.576 20 0 DHADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221078 1028150538 /nfs/dbraw/zinc/15/05/38/1028150538.db2.gz CIXIHNKBPYVBLC-UYAOXDASSA-N 2 0 309.457 3.587 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(-c2cncnc2)cc1 ZINC000367655980 1028222269 /nfs/dbraw/zinc/22/22/69/1028222269.db2.gz FFFCPCTVSWJOTC-OXJNMPFZSA-N 2 0 324.472 3.669 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367781718 1028239545 /nfs/dbraw/zinc/23/95/45/1028239545.db2.gz CIJPNUQDYBRIAG-QGZVFWFLSA-N 2 0 324.472 3.526 20 0 DHADRP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC000367999088 1028273643 /nfs/dbraw/zinc/27/36/43/1028273643.db2.gz SHTFANAXFNJUEX-PKOBYXMFSA-N 2 0 324.553 3.928 20 0 DHADRP CCC(CC)[C@@H](C[NH2+]CCCc1cnccc1C)[NH+]1CCCC1 ZINC000578975022 1028289516 /nfs/dbraw/zinc/28/95/16/1028289516.db2.gz IGQZLUBBVZMAJM-HXUWFJFHSA-N 2 0 317.521 3.813 20 0 DHADRP COCC1CCC([NH2+][C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000449057508 1028320441 /nfs/dbraw/zinc/32/04/41/1028320441.db2.gz CPMDOGGKDNCFGP-UUKMXZOPSA-N 2 0 316.489 3.618 20 0 DHADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000449069049 1028330729 /nfs/dbraw/zinc/33/07/29/1028330729.db2.gz VOKIGMHRGREYSF-CRAIPNDOSA-N 2 0 304.503 3.514 20 0 DHADRP FC(F)(F)c1cccc([C@H]2CC[N@H+](CCCn3ccnc3)C2)c1 ZINC000368349350 1028339732 /nfs/dbraw/zinc/33/97/32/1028339732.db2.gz RKKDIYOJNUYHHM-HNNXBMFYSA-N 2 0 323.362 3.782 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449082524 1028349239 /nfs/dbraw/zinc/34/92/39/1028349239.db2.gz NWLSALFVWIGWIP-HOTGVXAUSA-N 2 0 315.461 3.676 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449104031 1028353738 /nfs/dbraw/zinc/35/37/38/1028353738.db2.gz DJMKWZCDFYFIEY-MRXNPFEDSA-N 2 0 312.457 3.670 20 0 DHADRP COCCC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCCCC1 ZINC000368440653 1028353543 /nfs/dbraw/zinc/35/35/43/1028353543.db2.gz GDTSMKVDQKZVNZ-UHFFFAOYSA-N 2 0 308.510 3.580 20 0 DHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CS1 ZINC000368462789 1028358966 /nfs/dbraw/zinc/35/89/66/1028358966.db2.gz QKNCOESFFAJHST-DOTOQJQBSA-N 2 0 310.551 3.903 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000449113862 1028391655 /nfs/dbraw/zinc/39/16/55/1028391655.db2.gz XTPQYJZLVPHANM-IEBWSBKVSA-N 2 0 310.526 3.682 20 0 DHADRP Clc1cccnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000528421614 1028421077 /nfs/dbraw/zinc/42/10/77/1028421077.db2.gz RVVUOKPZMZAEJQ-UHFFFAOYSA-N 2 0 321.896 3.823 20 0 DHADRP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C[C@H](C)O ZINC000449165914 1028423587 /nfs/dbraw/zinc/42/35/87/1028423587.db2.gz YCHXEIAOPBELCM-CVEARBPZSA-N 2 0 312.542 3.662 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000449163291 1028425046 /nfs/dbraw/zinc/42/50/46/1028425046.db2.gz LRDSXYRTFSVLCO-SJLPKXTDSA-N 2 0 324.553 3.806 20 0 DHADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)Cc1ccoc1 ZINC000449221052 1028462543 /nfs/dbraw/zinc/46/25/43/1028462543.db2.gz SBFWRAFXHBVENK-MRXNPFEDSA-N 2 0 300.446 3.841 20 0 DHADRP C[C@@H]1[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC[N@@H+]1C ZINC000449232840 1028470997 /nfs/dbraw/zinc/47/09/97/1028470997.db2.gz JGPHDIVYDHBMAO-AEFFLSMTSA-N 2 0 323.569 3.738 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000564822868 1028507488 /nfs/dbraw/zinc/50/74/88/1028507488.db2.gz OSISISZZDWAHGU-INIZCTEOSA-N 2 0 319.493 3.505 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2ccncc2F)CC1)CC(C)C ZINC000449324189 1028533142 /nfs/dbraw/zinc/53/31/42/1028533142.db2.gz DCLRMUWHHXTOHX-UHFFFAOYSA-N 2 0 321.484 3.801 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000815647924 1028591721 /nfs/dbraw/zinc/59/17/21/1028591721.db2.gz YNBPAVSFEKWBCI-MRXNPFEDSA-N 2 0 302.462 3.538 20 0 DHADRP C[C@H](CCO)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449360571 1028591886 /nfs/dbraw/zinc/59/18/86/1028591886.db2.gz UYOLAIJYZWSBSZ-INIZCTEOSA-N 2 0 312.542 3.664 20 0 DHADRP CC(C)c1nccn1[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000370494813 1028610267 /nfs/dbraw/zinc/61/02/67/1028610267.db2.gz KSPZZNRJZHJLIF-ZWKOTPCHSA-N 2 0 318.509 3.518 20 0 DHADRP CC(C)CC[C@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370663025 1028632876 /nfs/dbraw/zinc/63/28/76/1028632876.db2.gz QVPWOTYYLCTWQA-SFHVURJKSA-N 2 0 323.569 3.597 20 0 DHADRP Cc1sc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1-c1ccccc1 ZINC000370675934 1028633646 /nfs/dbraw/zinc/63/36/46/1028633646.db2.gz GTHANRZXEYMGCO-XJKSGUPXSA-N 2 0 315.486 3.691 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000565983808 1028661362 /nfs/dbraw/zinc/66/13/62/1028661362.db2.gz MRRQNUFQERMFHS-UHFFFAOYSA-N 2 0 312.860 3.733 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000566230296 1028690674 /nfs/dbraw/zinc/69/06/74/1028690674.db2.gz ZWYMLGJXWDNGHO-UONOGXRCSA-N 2 0 318.411 3.812 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000449527334 1028754797 /nfs/dbraw/zinc/75/47/97/1028754797.db2.gz HQRSJXLQYWJXHA-UHFFFAOYSA-N 2 0 311.473 3.959 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000372054621 1028799348 /nfs/dbraw/zinc/79/93/48/1028799348.db2.gz ARYOPVGKLOAEIK-UKRRQHHQSA-N 2 0 306.416 3.962 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000372781511 1028898348 /nfs/dbraw/zinc/89/83/48/1028898348.db2.gz BDLKKRURLPSZHO-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000567549089 1028915787 /nfs/dbraw/zinc/91/57/87/1028915787.db2.gz BNJZMBWPFXLDOU-NSHGMRRFSA-N 2 0 317.521 3.532 20 0 DHADRP COc1ccc(Oc2ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000567613346 1028929062 /nfs/dbraw/zinc/92/90/62/1028929062.db2.gz ZNTUWVPBRJUVNX-HUUCEWRRSA-N 2 0 314.429 3.703 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc4ccccc43)C2)C1 ZINC000567760903 1028951694 /nfs/dbraw/zinc/95/16/94/1028951694.db2.gz MXUXQAGIMQJXOH-OAQYLSRUSA-N 2 0 324.468 3.636 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000449740304 1028960648 /nfs/dbraw/zinc/96/06/48/1028960648.db2.gz FVZCILLIALAWDE-LRQRDZAKSA-N 2 0 312.501 3.718 20 0 DHADRP CCSc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000567870942 1028967560 /nfs/dbraw/zinc/96/75/60/1028967560.db2.gz ADELKLBXSPYBDJ-KRWDZBQOSA-N 2 0 304.503 3.620 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C=CCCCCC2)[C@@H](C)C1 ZINC000568046612 1028995778 /nfs/dbraw/zinc/99/57/78/1028995778.db2.gz SBQOTQNBMXYWLU-FHWLQOOXSA-N 2 0 308.510 3.602 20 0 DHADRP c1ccc(CN2CC[C@@H]([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC23CC3)cc1 ZINC000568087750 1029006412 /nfs/dbraw/zinc/00/64/12/1029006412.db2.gz SGFPRVRBNZKYTN-ZRNYENFQSA-N 2 0 310.485 3.962 20 0 DHADRP C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)n1cnc2c1CCCC2 ZINC000628371945 1029019842 /nfs/dbraw/zinc/01/98/42/1029019842.db2.gz PJDSUEBFFLIJPJ-AEFFLSMTSA-N 2 0 309.457 3.845 20 0 DHADRP Cc1ccncc1CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000373386241 1029028268 /nfs/dbraw/zinc/02/82/68/1029028268.db2.gz RYESOLSVPJRSDX-QGZVFWFLSA-N 2 0 309.457 3.705 20 0 DHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000373384625 1029029706 /nfs/dbraw/zinc/02/97/06/1029029706.db2.gz NUYXDNJNUYHKPQ-GTAWCEEGSA-N 2 0 315.505 3.879 20 0 DHADRP FC(F)c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000373412325 1029035504 /nfs/dbraw/zinc/03/55/04/1029035504.db2.gz KKKSJWSOTUKRHN-ZACQAIPSSA-N 2 0 306.400 3.540 20 0 DHADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000628425221 1029052443 /nfs/dbraw/zinc/05/24/43/1029052443.db2.gz DWXARYDZIDBYMX-SFHVURJKSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21 ZINC000568543708 1029089126 /nfs/dbraw/zinc/08/91/26/1029089126.db2.gz QBJRTAUTULVXTF-JTDSTZFVSA-N 2 0 300.490 3.771 20 0 DHADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170861689 1029123859 /nfs/dbraw/zinc/12/38/59/1029123859.db2.gz OKZMZWIGHSSOCO-NEWSRXKRSA-N 2 0 316.489 3.649 20 0 DHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H](CC2CC2)c2ccccc2)CCCO1 ZINC000568947867 1029149652 /nfs/dbraw/zinc/14/96/52/1029149652.db2.gz DLNFPOKLMNFOFO-YLJYHZDGSA-N 2 0 316.489 3.618 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000817416109 1029155039 /nfs/dbraw/zinc/15/50/39/1029155039.db2.gz JIHHOXDAHHNXTF-UHFFFAOYSA-N 2 0 316.489 3.753 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000817416116 1029156118 /nfs/dbraw/zinc/15/61/18/1029156118.db2.gz JLJOFDJJFVWLCF-UHFFFAOYSA-N 2 0 318.433 3.698 20 0 DHADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411698262 1029189514 /nfs/dbraw/zinc/18/95/14/1029189514.db2.gz UMANEPGDWDVUJK-YLJYHZDGSA-N 2 0 316.489 3.672 20 0 DHADRP CCOc1c(Cl)cccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000569223181 1029197234 /nfs/dbraw/zinc/19/72/34/1029197234.db2.gz SXLKRESSEYVHMV-HNNXBMFYSA-N 2 0 322.880 3.560 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)cc1 ZINC000569243312 1029201078 /nfs/dbraw/zinc/20/10/78/1029201078.db2.gz HFVJTDDIEYYFHS-UHFFFAOYSA-N 2 0 301.459 3.549 20 0 DHADRP CC(C)[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCOC1 ZINC000411750812 1029201274 /nfs/dbraw/zinc/20/12/74/1029201274.db2.gz ZTOZQGZCKBATQL-FQEVSTJZSA-N 2 0 316.489 3.672 20 0 DHADRP CS[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411793236 1029209345 /nfs/dbraw/zinc/20/93/45/1029209345.db2.gz OYMNLWNQYOMZPV-GOSISDBHSA-N 2 0 304.503 3.610 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000569677786 1029245957 /nfs/dbraw/zinc/24/59/57/1029245957.db2.gz GCBUTQGYSARACK-KEYYUXOJSA-N 2 0 302.487 3.762 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1OC ZINC000817900790 1029268849 /nfs/dbraw/zinc/26/88/49/1029268849.db2.gz WJCKCVIFXKXYHW-RDTXWAMCSA-N 2 0 313.445 3.659 20 0 DHADRP CCc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817897544 1029269584 /nfs/dbraw/zinc/26/95/84/1029269584.db2.gz RUDCRISFYHKVEW-PZJWPPBQSA-N 2 0 322.452 3.595 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000817921832 1029274321 /nfs/dbraw/zinc/27/43/21/1029274321.db2.gz IVVATMRZFGBIRR-NWANDNLSSA-N 2 0 307.507 3.729 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000817913101 1029275026 /nfs/dbraw/zinc/27/50/26/1029275026.db2.gz DQHMJOTVYQRRIR-PMACEKPBSA-N 2 0 315.505 3.767 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCCCOc1ccc(Cl)cc1 ZINC000817923865 1029276139 /nfs/dbraw/zinc/27/61/39/1029276139.db2.gz BJIRLNHNFDSBFS-IRXDYDNUSA-N 2 0 310.869 3.749 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000569891948 1029281105 /nfs/dbraw/zinc/28/11/05/1029281105.db2.gz HWVISKQKXADFNX-NSHGMRRFSA-N 2 0 323.569 3.740 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)CCCO2 ZINC000817948967 1029291766 /nfs/dbraw/zinc/29/17/66/1029291766.db2.gz MRXUSWJHHVMPSN-HXUWFJFHSA-N 2 0 324.468 3.754 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817946995 1029291889 /nfs/dbraw/zinc/29/18/89/1029291889.db2.gz JGEDKCNTCNLXPG-INIZCTEOSA-N 2 0 312.457 3.827 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817970337 1029310447 /nfs/dbraw/zinc/31/04/47/1029310447.db2.gz ROKRABDXPFEAIK-CYZMBNFOSA-N 2 0 300.418 3.922 20 0 DHADRP COc1c(C)cc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000817979629 1029317118 /nfs/dbraw/zinc/31/71/18/1029317118.db2.gz CCOKIPAPHOECKM-HIFRSBDPSA-N 2 0 310.869 3.840 20 0 DHADRP CC(C)n1cc([C@H](C)NCCC[N@H+](C)C2CCCCC2)cn1 ZINC000120783923 1029353519 /nfs/dbraw/zinc/35/35/19/1029353519.db2.gz UGQJCPUVVXBMES-INIZCTEOSA-N 2 0 306.498 3.769 20 0 DHADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(-c2ccccc2)s1 ZINC000629523795 1029357174 /nfs/dbraw/zinc/35/71/74/1029357174.db2.gz JCYIIUSFWKNESY-AWEZNQCLSA-N 2 0 316.470 3.574 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)nc1 ZINC000629525493 1029358624 /nfs/dbraw/zinc/35/86/24/1029358624.db2.gz ZMRVYFQZCLJRHQ-SJORKVTESA-N 2 0 303.494 3.568 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCOCC2)C2CCCCC2)cc1 ZINC000629523767 1029359429 /nfs/dbraw/zinc/35/94/29/1029359429.db2.gz IVOXHGBUXIRGEE-LJQANCHMSA-N 2 0 316.489 3.714 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000629531275 1029359456 /nfs/dbraw/zinc/35/94/56/1029359456.db2.gz GKJZTSBEJVSZCC-VYJAJWGXSA-N 2 0 322.537 3.871 20 0 DHADRP CC(C)[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000629534619 1029360036 /nfs/dbraw/zinc/36/00/36/1029360036.db2.gz AEYNDDQPZWOLHB-OAHLLOKOSA-N 2 0 319.276 3.646 20 0 DHADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc2c(ccc3ccccc23)o1 ZINC000629541267 1029362222 /nfs/dbraw/zinc/36/22/22/1029362222.db2.gz YPEHQGUDTNYLNP-CQSZACIVSA-N 2 0 312.413 3.602 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629547598 1029363089 /nfs/dbraw/zinc/36/30/89/1029363089.db2.gz USMWSMLFVMRTPE-LJQANCHMSA-N 2 0 315.505 3.725 20 0 DHADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560118 1029368281 /nfs/dbraw/zinc/36/82/81/1029368281.db2.gz CXGARVLERKGAEL-BFHYXJOUSA-N 2 0 306.416 3.662 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@@H]1C(F)(F)F ZINC000629563054 1029369953 /nfs/dbraw/zinc/36/99/53/1029369953.db2.gz PRBIHXCXOLZOPH-IRXDYDNUSA-N 2 0 322.374 3.799 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000629561041 1029372064 /nfs/dbraw/zinc/37/20/64/1029372064.db2.gz GMTNMNFFDZOFOV-CABCVRRESA-N 2 0 306.416 3.806 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]CCCC[NH+]1CCCC1)CC2 ZINC001170895041 1029377443 /nfs/dbraw/zinc/37/74/43/1029377443.db2.gz RCJOZMPOTGAVKS-MRXNPFEDSA-N 2 0 306.881 3.663 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000570516293 1029377522 /nfs/dbraw/zinc/37/75/22/1029377522.db2.gz URBFJUUPGOEOFI-QGZVFWFLSA-N 2 0 316.832 3.802 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC(F)(F)C1 ZINC000529542026 1029385755 /nfs/dbraw/zinc/38/57/55/1029385755.db2.gz NZMHHCSILYCWKL-MELADBBJSA-N 2 0 300.437 3.663 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170909265 1029407862 /nfs/dbraw/zinc/40/78/62/1029407862.db2.gz SMAGGYJINPYZEQ-OWCLPIDISA-N 2 0 306.881 3.660 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170909262 1029408135 /nfs/dbraw/zinc/40/81/35/1029408135.db2.gz SMAGGYJINPYZEQ-HRCADAONSA-N 2 0 306.881 3.660 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000570708642 1029408151 /nfs/dbraw/zinc/40/81/51/1029408151.db2.gz KBWSNBZQQHEPBI-SFHVURJKSA-N 2 0 317.864 3.608 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529557746 1029414200 /nfs/dbraw/zinc/41/42/00/1029414200.db2.gz OJERHTATTNISDK-GOEBONIOSA-N 2 0 308.416 3.532 20 0 DHADRP C[NH2+][C@H](CO)c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000629697317 1029424959 /nfs/dbraw/zinc/42/49/59/1029424959.db2.gz ZVTJDTYZJUZLCO-OAQYLSRUSA-N 2 0 324.468 3.592 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000529567298 1029425773 /nfs/dbraw/zinc/42/57/73/1029425773.db2.gz LSZSUTDTSDRJEP-PXAZEXFGSA-N 2 0 310.844 3.786 20 0 DHADRP C[NH2+][C@@H](CO)c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)c1 ZINC000629703126 1029430392 /nfs/dbraw/zinc/43/03/92/1029430392.db2.gz ZZQVAESSGVFTMN-KKSFZXQISA-N 2 0 324.468 3.591 20 0 DHADRP C[NH2+][C@@H](CO)c1cccc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)c1 ZINC000629702890 1029430533 /nfs/dbraw/zinc/43/05/33/1029430533.db2.gz VYWYXJGBWPWZNF-IERDGZPVSA-N 2 0 324.468 3.591 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000818960350 1029436806 /nfs/dbraw/zinc/43/68/06/1029436806.db2.gz YKNVIZROCQHWOD-CRAIPNDOSA-N 2 0 324.896 3.618 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000529661739 1029498672 /nfs/dbraw/zinc/49/86/72/1029498672.db2.gz FZDJNZOGLGUBMX-UHFFFAOYSA-N 2 0 311.420 3.712 20 0 DHADRP FC1(F)CCCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000450605036 1029564863 /nfs/dbraw/zinc/56/48/63/1029564863.db2.gz YDSKZHSWDLPDPZ-ZMSDIMECSA-N 2 0 312.448 3.761 20 0 DHADRP CCc1cc(CCC[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)on1 ZINC000450751795 1029643957 /nfs/dbraw/zinc/64/39/57/1029643957.db2.gz FCEYUWBZBJKWIZ-APWZRJJASA-N 2 0 321.509 3.660 20 0 DHADRP COc1cccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CC2(C)C)c1 ZINC000530231156 1029783873 /nfs/dbraw/zinc/78/38/73/1029783873.db2.gz NFRCEFVGEINLHP-LJQANCHMSA-N 2 0 316.489 3.510 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170955057 1029785136 /nfs/dbraw/zinc/78/51/36/1029785136.db2.gz DCGFWKIOZRCXDE-RDJZCZTQSA-N 2 0 304.453 3.537 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CCc2cccc(F)c2C1 ZINC001170955117 1029786744 /nfs/dbraw/zinc/78/67/44/1029786744.db2.gz FKFZKCMXQOMPGM-HNNXBMFYSA-N 2 0 304.453 3.663 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+]C(C)(C)c2nc3ccccc3s2)CC[NH2+]1 ZINC000530242201 1029788172 /nfs/dbraw/zinc/78/81/72/1029788172.db2.gz LSCSGABIYFESPT-CHWSQXEVSA-N 2 0 303.475 3.509 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000121672523 1029811765 /nfs/dbraw/zinc/81/17/65/1029811765.db2.gz KIKVMHQUTVPAGA-LJQANCHMSA-N 2 0 304.478 3.858 20 0 DHADRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCO[C@@H](C)C2)CC1 ZINC001168128123 1029814426 /nfs/dbraw/zinc/81/44/26/1029814426.db2.gz NNVDKKNLIAMHFG-PXNSSMCTSA-N 2 0 316.489 3.540 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000392230022 1029816345 /nfs/dbraw/zinc/81/63/45/1029816345.db2.gz GOGCQUGWNFCMEB-UHFFFAOYSA-N 2 0 308.425 3.830 20 0 DHADRP C[N@H+]1CC=C(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000392284731 1029823629 /nfs/dbraw/zinc/82/36/29/1029823629.db2.gz VCLWXWKFQOPERT-UHFFFAOYSA-N 2 0 320.480 3.692 20 0 DHADRP CCOC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000530546210 1029884197 /nfs/dbraw/zinc/88/41/97/1029884197.db2.gz YZSGNASEPBJGEI-IHPCNDPISA-N 2 0 318.505 3.548 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000122074449 1029945036 /nfs/dbraw/zinc/94/50/36/1029945036.db2.gz GAYSXUOGHJDESF-BQFCYCMXSA-N 2 0 310.526 3.823 20 0 DHADRP Cc1cc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)c[nH]c2cc1F ZINC000865741884 1029997757 /nfs/dbraw/zinc/99/77/57/1029997757.db2.gz LGKZXVGMFDIMQS-OAHLLOKOSA-N 2 0 317.452 3.620 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765723 1030013937 /nfs/dbraw/zinc/01/39/37/1030013937.db2.gz JLVJRHUTSNRWJM-CLFYSBASSA-N 2 0 302.462 3.561 20 0 DHADRP C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CS1 ZINC000865775247 1030016610 /nfs/dbraw/zinc/01/66/10/1030016610.db2.gz RZJAFPXWFPXVJW-FUHWJXTLSA-N 2 0 318.530 3.524 20 0 DHADRP CC[NH+](CC)CCCN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451903798 1030054186 /nfs/dbraw/zinc/05/41/86/1030054186.db2.gz QSDRFGUTOUZOJP-UHFFFAOYSA-N 2 0 311.558 3.551 20 0 DHADRP CCC[NH+]1CCC([N@H+](C)CCCOc2ccc(Cl)cc2)CC1 ZINC000530902301 1030059873 /nfs/dbraw/zinc/05/98/73/1030059873.db2.gz BFHFFIHVRBMSIZ-UHFFFAOYSA-N 2 0 324.896 3.915 20 0 DHADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000290563602 1030106440 /nfs/dbraw/zinc/10/64/40/1030106440.db2.gz SMIIALWQJRMGBP-UZLBHIALSA-N 2 0 309.457 3.521 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924524502 1030113741 /nfs/dbraw/zinc/11/37/41/1030113741.db2.gz BOJIAOHGCJEADC-XJKSGUPXSA-N 2 0 309.885 3.822 20 0 DHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C(C)(C)O)cc1 ZINC000924570191 1030124251 /nfs/dbraw/zinc/12/42/51/1030124251.db2.gz NLOKUWMYZFZKAM-CQSZACIVSA-N 2 0 318.505 3.874 20 0 DHADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000290622168 1030129420 /nfs/dbraw/zinc/12/94/20/1030129420.db2.gz XHLXJKCWYHCZHJ-DYVFJYSZSA-N 2 0 317.864 3.660 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccnnc1 ZINC000924605912 1030136907 /nfs/dbraw/zinc/13/69/07/1030136907.db2.gz YDZBEPGZFGHQQX-KRWDZBQOSA-N 2 0 324.472 3.559 20 0 DHADRP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245820332 1030144300 /nfs/dbraw/zinc/14/43/00/1030144300.db2.gz DTUHHGRIGQQJJL-KGLIPLIRSA-N 2 0 319.399 3.714 20 0 DHADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000924687067 1030161188 /nfs/dbraw/zinc/16/11/88/1030161188.db2.gz NRCXLVKMGMTTTL-GDBMZVCRSA-N 2 0 305.466 3.605 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000866222742 1030166264 /nfs/dbraw/zinc/16/62/64/1030166264.db2.gz SZQJKLXAUXOVRY-GOSISDBHSA-N 2 0 323.484 3.788 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccns1 ZINC000924777130 1030184270 /nfs/dbraw/zinc/18/42/70/1030184270.db2.gz BIPPPZJTJJPVIW-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)c1 ZINC000924959846 1030235796 /nfs/dbraw/zinc/23/57/96/1030235796.db2.gz POEWPQHMNZWCBF-WOJBJXKFSA-N 2 0 318.505 3.559 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCCc3c(F)cccc32)CC[NH+](C)CC1 ZINC000866361965 1030253302 /nfs/dbraw/zinc/25/33/02/1030253302.db2.gz WMQIPOPUTMRIBE-QGZVFWFLSA-N 2 0 322.493 3.620 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cn2c(n1)CCCC2 ZINC000925048357 1030255869 /nfs/dbraw/zinc/25/58/69/1030255869.db2.gz HQABYSIINHOABY-KRWDZBQOSA-N 2 0 318.509 3.526 20 0 DHADRP Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925082239 1030266188 /nfs/dbraw/zinc/26/61/88/1030266188.db2.gz IRSCRDMLXDMSTG-AUUYWEPGSA-N 2 0 324.472 3.575 20 0 DHADRP C[C@@H](CC1CC1)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358023671 1030285840 /nfs/dbraw/zinc/28/58/40/1030285840.db2.gz QEMMAYJSUCJUJU-YESZJQIVSA-N 2 0 316.489 3.574 20 0 DHADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000358052714 1030301253 /nfs/dbraw/zinc/30/12/53/1030301253.db2.gz YQRVGAFZCNAZMH-JTDSTZFVSA-N 2 0 322.468 3.756 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000866468593 1030310092 /nfs/dbraw/zinc/31/00/92/1030310092.db2.gz GHROCQDCDVGLDQ-OAHLLOKOSA-N 2 0 307.507 3.621 20 0 DHADRP Clc1ccc(CCC[NH2+][C@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC001246254030 1030334993 /nfs/dbraw/zinc/33/49/93/1030334993.db2.gz GIOZGGPLTXPJCB-AWEZNQCLSA-N 2 0 301.261 3.658 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000866516530 1030341049 /nfs/dbraw/zinc/34/10/49/1030341049.db2.gz BKAWGMHQUCAXTQ-ZCDLSOSASA-N 2 0 302.462 3.622 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)CCC2 ZINC000866516994 1030341987 /nfs/dbraw/zinc/34/19/87/1030341987.db2.gz UNYUFVSDJMPOPN-GNHJJJEISA-N 2 0 307.507 3.681 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C(F)F)nc1 ZINC000866516550 1030342215 /nfs/dbraw/zinc/34/22/15/1030342215.db2.gz BVVQIIIPQUCINW-MKQDKFQKSA-N 2 0 311.420 3.933 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171023476 1030349219 /nfs/dbraw/zinc/34/92/19/1030349219.db2.gz YBTIPTCKGPGFJT-QGZVFWFLSA-N 2 0 320.908 3.909 20 0 DHADRP Cc1cc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc[nH+]1 ZINC000358163513 1030354560 /nfs/dbraw/zinc/35/45/60/1030354560.db2.gz QGYCPWURUSJAED-KRWDZBQOSA-N 2 0 309.457 3.798 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925441887 1030363726 /nfs/dbraw/zinc/36/37/26/1030363726.db2.gz DNEOEEUUYIOODH-MRXNPFEDSA-N 2 0 311.473 3.665 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1nc2ccccc2s1 ZINC000925499958 1030379195 /nfs/dbraw/zinc/37/91/95/1030379195.db2.gz VHPXZNPOQJXZFG-RWMBFGLXSA-N 2 0 303.475 3.853 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(-c2ccncc2)cc1 ZINC000925525159 1030387377 /nfs/dbraw/zinc/38/73/77/1030387377.db2.gz ALRLBAYHXXBOHY-GDIGMMSISA-N 2 0 307.441 3.669 20 0 DHADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3c[nH+]cn3C)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001171032784 1030396325 /nfs/dbraw/zinc/39/63/25/1030396325.db2.gz WSEQPDICQDXKCW-SUMCQTLJSA-N 2 0 318.509 3.790 20 0 DHADRP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925547470 1030398209 /nfs/dbraw/zinc/39/82/09/1030398209.db2.gz OFXGEXQULWVGRQ-QYZOEREBSA-N 2 0 314.473 3.577 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]CCCOc1ccccc1F)c1ccccc1 ZINC000925546887 1030399664 /nfs/dbraw/zinc/39/96/64/1030399664.db2.gz QTIWGYJGJPNOSZ-SFHVURJKSA-N 2 0 316.420 3.664 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925557043 1030401325 /nfs/dbraw/zinc/40/13/25/1030401325.db2.gz BBIPFHWUHBMRII-VQIMIIECSA-N 2 0 316.489 3.891 20 0 DHADRP C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000925557036 1030401692 /nfs/dbraw/zinc/40/16/92/1030401692.db2.gz BBIPFHWUHBMRII-LPHOPBHVSA-N 2 0 316.489 3.891 20 0 DHADRP CC(C)c1csc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925557997 1030402018 /nfs/dbraw/zinc/40/20/18/1030402018.db2.gz DAIQSQZNAXLXDI-OAHLLOKOSA-N 2 0 303.475 3.836 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000925622217 1030424916 /nfs/dbraw/zinc/42/49/16/1030424916.db2.gz LXEIOJBVQGRVSY-UXHICEINSA-N 2 0 324.468 3.570 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC=C(c3ccc(F)cc3)CC1)[NH2+]2 ZINC000925628832 1030427011 /nfs/dbraw/zinc/42/70/11/1030427011.db2.gz JUTFZLCKRLWIBS-KHSUIZDFSA-N 2 0 314.448 3.880 20 0 DHADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000866705749 1030427721 /nfs/dbraw/zinc/42/77/21/1030427721.db2.gz IIFIHJQGONSCTP-LJQANCHMSA-N 2 0 315.436 3.571 20 0 DHADRP CCSc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000925647006 1030431167 /nfs/dbraw/zinc/43/11/67/1030431167.db2.gz WQOAPNJVDCJPSY-KRWDZBQOSA-N 2 0 315.486 3.763 20 0 DHADRP c1c2cccnc2oc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000823966323 1030436288 /nfs/dbraw/zinc/43/62/88/1030436288.db2.gz KWXXYFNNXYYNBO-UHFFFAOYSA-N 2 0 313.445 3.715 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000925664365 1030446208 /nfs/dbraw/zinc/44/62/08/1030446208.db2.gz YEOCWKIHPAHSJL-QTTZHHEGSA-N 2 0 302.437 3.567 20 0 DHADRP C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000925703104 1030457800 /nfs/dbraw/zinc/45/78/00/1030457800.db2.gz CCCKDFKPIJINHS-SJORKVTESA-N 2 0 318.505 3.588 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925711859 1030460952 /nfs/dbraw/zinc/46/09/52/1030460952.db2.gz SXLQJMPPYSBKET-HNNXBMFYSA-N 2 0 304.503 3.581 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)C[C@H](O)c2ccccc2)CC1 ZINC000925292753 1030469909 /nfs/dbraw/zinc/46/99/09/1030469909.db2.gz NNFRKTUHPVERKS-PXNSSMCTSA-N 2 0 318.505 3.599 20 0 DHADRP CC(C)CC[C@H]([N@@H+]1CCc2sc(C[NH3+])nc2C1)C(C)(C)C ZINC000925750826 1030480536 /nfs/dbraw/zinc/48/05/36/1030480536.db2.gz IJWAQJTVCZKYAN-HNNXBMFYSA-N 2 0 309.523 3.811 20 0 DHADRP Cc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)n1 ZINC000925767304 1030487203 /nfs/dbraw/zinc/48/72/03/1030487203.db2.gz VGMUCUKZVRVDFZ-DLBZAZTESA-N 2 0 315.848 3.626 20 0 DHADRP C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358456103 1030493946 /nfs/dbraw/zinc/49/39/46/1030493946.db2.gz AITDPHARXNEKLU-RSIVFMTNSA-N 2 0 308.510 3.575 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc2ccccc21 ZINC000925781457 1030494918 /nfs/dbraw/zinc/49/49/18/1030494918.db2.gz YRTYUUJDKVWDTD-UKRRQHHQSA-N 2 0 304.384 3.735 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000925781108 1030495982 /nfs/dbraw/zinc/49/59/82/1030495982.db2.gz HIVQBUPGPOXXAW-ZFWWWQNUSA-N 2 0 316.823 3.872 20 0 DHADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000925782886 1030496063 /nfs/dbraw/zinc/49/60/63/1030496063.db2.gz MWABUZXZZOCKQI-IXDOHACOSA-N 2 0 308.416 3.547 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000925781106 1030496259 /nfs/dbraw/zinc/49/62/59/1030496259.db2.gz HIVQBUPGPOXXAW-HIFRSBDPSA-N 2 0 316.823 3.872 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)c1ccccc1 ZINC000925813473 1030506531 /nfs/dbraw/zinc/50/65/31/1030506531.db2.gz SVFVMCDEKMVIRF-IBGZPJMESA-N 2 0 321.424 3.510 20 0 DHADRP c1ccc2ncc(CC[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)cc2c1 ZINC000925834157 1030514769 /nfs/dbraw/zinc/51/47/69/1030514769.db2.gz VSKLXADUGIAUMG-CTNGQTDRSA-N 2 0 323.484 3.535 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c2ccccc21 ZINC000925838704 1030516597 /nfs/dbraw/zinc/51/65/97/1030516597.db2.gz NPPLSQOWZLKKOL-ZJPYXAASSA-N 2 0 314.379 3.770 20 0 DHADRP Cc1nc2c(cccc2CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000925838936 1030517345 /nfs/dbraw/zinc/51/73/45/1030517345.db2.gz OYKVBDORBNHRSU-RHSMWYFYSA-N 2 0 315.461 3.579 20 0 DHADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(-c2ccncc2)cc1 ZINC000925844278 1030519886 /nfs/dbraw/zinc/51/98/86/1030519886.db2.gz RZCJBYAQNSWJHQ-ZLGUVYLKSA-N 2 0 321.468 3.931 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000925876421 1030529345 /nfs/dbraw/zinc/52/93/45/1030529345.db2.gz XPKYWHLEFXVKHB-GRZALLJUSA-N 2 0 320.452 3.578 20 0 DHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000925876424 1030529875 /nfs/dbraw/zinc/52/98/75/1030529875.db2.gz XPKYWHLEFXVKHB-VUNQQRPYSA-N 2 0 320.452 3.578 20 0 DHADRP CSCC1CCC([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1 ZINC000925880807 1030531443 /nfs/dbraw/zinc/53/14/43/1030531443.db2.gz BUXYVNGCZMIITL-XPYVTTBUSA-N 2 0 318.530 3.557 20 0 DHADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000925881696 1030531466 /nfs/dbraw/zinc/53/14/66/1030531466.db2.gz KUBUCULEQHLUSA-DSLXNQLJSA-N 2 0 304.453 3.554 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925880367 1030531861 /nfs/dbraw/zinc/53/18/61/1030531861.db2.gz QEBHWVKJNLCKRE-SLYNCCJLSA-N 2 0 324.468 3.696 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Oc2ccccc2)cn1 ZINC000925879900 1030532567 /nfs/dbraw/zinc/53/25/67/1030532567.db2.gz LMQJQMOPPQESCO-OAGGEKHMSA-N 2 0 311.429 3.652 20 0 DHADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000925881988 1030532812 /nfs/dbraw/zinc/53/28/12/1030532812.db2.gz ICPINQCKHRGPOJ-SCLBCKFNSA-N 2 0 316.395 3.771 20 0 DHADRP C[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)CC1CC[NH+](C)CC1 ZINC001136861222 1030533409 /nfs/dbraw/zinc/53/34/09/1030533409.db2.gz SQWZKAZTWSSRTK-UHFFFAOYSA-N 2 0 305.853 3.595 20 0 DHADRP CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(OC)cc1 ZINC000925887786 1030537038 /nfs/dbraw/zinc/53/70/38/1030537038.db2.gz MFDKYGCIOFXWQK-NRSPTQNISA-N 2 0 324.468 3.795 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2c(C)noc2C)CC1)CC(C)C ZINC000358733731 1030605157 /nfs/dbraw/zinc/60/51/57/1030605157.db2.gz CDITZCUECWMAFP-UHFFFAOYSA-N 2 0 321.509 3.871 20 0 DHADRP Cc1ccc([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000926115640 1030623659 /nfs/dbraw/zinc/62/36/59/1030623659.db2.gz WEULGBYNFZKNAW-FQEVSTJZSA-N 2 0 323.484 3.801 20 0 DHADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119489 1030625975 /nfs/dbraw/zinc/62/59/75/1030625975.db2.gz KOGHXNPRBVAEBQ-DODZYUBVSA-N 2 0 310.526 3.559 20 0 DHADRP Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926151211 1030632802 /nfs/dbraw/zinc/63/28/02/1030632802.db2.gz TUIMCJQCTDKAKD-ZFWWWQNUSA-N 2 0 317.502 3.967 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000247124819 1030675829 /nfs/dbraw/zinc/67/58/29/1030675829.db2.gz RJVBXGMDBRMYIT-WMZOPIPTSA-N 2 0 302.462 3.530 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000246923710 1030676609 /nfs/dbraw/zinc/67/66/09/1030676609.db2.gz GVUSRSMTWLKCGU-ZWKOTPCHSA-N 2 0 318.505 3.823 20 0 DHADRP COc1cc2c(NC[C@@H](C)C[NH+]3CCCC3)cc[nH+]c2cc1F ZINC000358948709 1030691016 /nfs/dbraw/zinc/69/10/16/1030691016.db2.gz IQGUMESLJLDRIU-CYBMUJFWSA-N 2 0 317.408 3.526 20 0 DHADRP Cc1cc(Cl)nc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926362483 1030712850 /nfs/dbraw/zinc/71/28/50/1030712850.db2.gz XHNANNXWUBDNOU-CQSZACIVSA-N 2 0 317.864 3.956 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000248032489 1030714135 /nfs/dbraw/zinc/71/41/35/1030714135.db2.gz QUUPBJZLQZXSIA-HBGVWJBISA-N 2 0 321.468 3.569 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001136986987 1030721033 /nfs/dbraw/zinc/72/10/33/1030721033.db2.gz DSPPTFNKBYCUOQ-UHFFFAOYSA-N 2 0 315.436 3.615 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000926415028 1030728939 /nfs/dbraw/zinc/72/89/39/1030728939.db2.gz NFXZWUVNMAGWKO-UHFFFAOYSA-N 2 0 315.505 3.603 20 0 DHADRP C[NH+](C)CCC[N@H+](C)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074878 1030741798 /nfs/dbraw/zinc/74/17/98/1030741798.db2.gz VGIJGVHOIADDKX-AWEZNQCLSA-N 2 0 315.288 3.734 20 0 DHADRP CCSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000926449774 1030745537 /nfs/dbraw/zinc/74/55/37/1030745537.db2.gz HWDOPMZIBSGACK-UKRRQHHQSA-N 2 0 315.486 3.600 20 0 DHADRP COCC1(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000926482267 1030757958 /nfs/dbraw/zinc/75/79/58/1030757958.db2.gz KVDRDFLDLAJFKM-INIZCTEOSA-N 2 0 304.478 3.606 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000248742887 1030763980 /nfs/dbraw/zinc/76/39/80/1030763980.db2.gz AKWRFQIGZPVRGE-OTNPHJDUSA-N 2 0 321.468 3.928 20 0 DHADRP Clc1ccc(Cl)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1Cl ZINC000666787313 1030848788 /nfs/dbraw/zinc/84/87/88/1030848788.db2.gz GFLSYYKMAUJNRV-VIFPVBQESA-N 2 0 307.652 3.736 20 0 DHADRP CCc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2cccnc2)cc1 ZINC000926665562 1030852213 /nfs/dbraw/zinc/85/22/13/1030852213.db2.gz HSEWYEVRCQUEMR-JRGCBEDISA-N 2 0 323.484 3.663 20 0 DHADRP C[C@@H]1SCC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000359222647 1030853024 /nfs/dbraw/zinc/85/30/24/1030853024.db2.gz PZQNBZKKOBWMQO-YJBOKZPZSA-N 2 0 304.503 3.555 20 0 DHADRP CC(C)C(C(C)C)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926679646 1030859031 /nfs/dbraw/zinc/85/90/31/1030859031.db2.gz YSVSECYJQDDKFM-KRWDZBQOSA-N 2 0 324.553 3.784 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171093811 1030863489 /nfs/dbraw/zinc/86/34/89/1030863489.db2.gz IMAWTKTYHSBZDQ-GOSISDBHSA-N 2 0 306.881 3.661 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926698319 1030869254 /nfs/dbraw/zinc/86/92/54/1030869254.db2.gz ALZJWUFKUVEUCP-KPOBHBOGSA-N 2 0 310.441 3.577 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000926798616 1030934507 /nfs/dbraw/zinc/93/45/07/1030934507.db2.gz VYRVTNBMIGBBTM-BFHRDPOASA-N 2 0 322.880 3.764 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1cccc(C[NH+](C)C)c1 ZINC000926805044 1030935893 /nfs/dbraw/zinc/93/58/93/1030935893.db2.gz MUXHIZZREHXJGL-HRAATJIYSA-N 2 0 323.484 3.586 20 0 DHADRP CCSc1ccccc1CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000926920510 1030994678 /nfs/dbraw/zinc/99/46/78/1030994678.db2.gz CIJBHFWPXUTTFT-UHFFFAOYSA-N 2 0 306.519 3.804 20 0 DHADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000844222166 1030998253 /nfs/dbraw/zinc/99/82/53/1030998253.db2.gz YILXRMVLDXNSDC-INIZCTEOSA-N 2 0 315.461 3.916 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000897536634 1031020558 /nfs/dbraw/zinc/02/05/58/1031020558.db2.gz NNEUYKRSBFOSMU-UMGGQSCQSA-N 2 0 322.537 3.560 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccncc1Cl ZINC000927036506 1031044738 /nfs/dbraw/zinc/04/47/38/1031044738.db2.gz IJLWGQOVWXBGSA-TUBUQKNSSA-N 2 0 307.869 3.793 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036566 1031045775 /nfs/dbraw/zinc/04/57/75/1031045775.db2.gz CYSJTTIJCARAOW-MNNVXMFVSA-N 2 0 304.453 3.753 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1N(C)C ZINC000927038586 1031046497 /nfs/dbraw/zinc/04/64/97/1031046497.db2.gz PKUWVHJLKIGOGO-VXESANQCSA-N 2 0 315.505 3.810 20 0 DHADRP FC1(c2ccc(Cl)cc2)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261618987 1031051503 /nfs/dbraw/zinc/05/15/03/1031051503.db2.gz BPPKCIKMHBIOGK-UHFFFAOYSA-N 2 0 310.844 3.600 20 0 DHADRP COc1ccc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CCC2)cc1 ZINC000927067367 1031065427 /nfs/dbraw/zinc/06/54/27/1031065427.db2.gz PTWBHIZYASROAK-HXUWFJFHSA-N 2 0 316.489 3.999 20 0 DHADRP CCC[NH+]1CCC(N[C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000359620950 1031066757 /nfs/dbraw/zinc/06/67/57/1031066757.db2.gz NEKMHJISPOTIHV-IBGZPJMESA-N 2 0 316.489 3.981 20 0 DHADRP CCc1nc2c(s1)[C@@H](NCCC[NH+]1CCC(C)CC1)CCC2 ZINC000359642452 1031077307 /nfs/dbraw/zinc/07/73/07/1031077307.db2.gz ZTZPPCMBELNYAB-HNNXBMFYSA-N 2 0 321.534 3.795 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1(C)CC1 ZINC000359664147 1031086589 /nfs/dbraw/zinc/08/65/89/1031086589.db2.gz PGXMNRUOEZBTRZ-ZACQAIPSSA-N 2 0 316.489 3.574 20 0 DHADRP CCc1nc(C(C)C)ccc1CN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000292789597 1031177830 /nfs/dbraw/zinc/17/78/30/1031177830.db2.gz LIWLRHZTUQWAIG-MRXNPFEDSA-N 2 0 303.494 3.541 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(Cl)c1 ZINC000536652136 1031356400 /nfs/dbraw/zinc/35/64/00/1031356400.db2.gz RBEMPDCXDNXPGZ-UHFFFAOYSA-N 2 0 324.896 3.901 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844925518 1031404394 /nfs/dbraw/zinc/40/43/94/1031404394.db2.gz QWOKLSAFSMFYPL-RDBSUJKOSA-N 2 0 307.309 3.861 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Cl ZINC000844923699 1031401186 /nfs/dbraw/zinc/40/11/86/1031401186.db2.gz HKLGAANVUXKLOU-ZDUSSCGKSA-N 2 0 310.869 3.697 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000872018302 1031401461 /nfs/dbraw/zinc/40/14/61/1031401461.db2.gz KEKWIMVBBBSUBK-UXHICEINSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872021591 1031406154 /nfs/dbraw/zinc/40/61/54/1031406154.db2.gz CQYDQNVZHMFFSZ-KURKYZTESA-N 2 0 310.526 3.824 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1N(C)C ZINC000536704149 1031407182 /nfs/dbraw/zinc/40/71/82/1031407182.db2.gz RJCDIAYDAJMXIF-MSOLQXFVSA-N 2 0 317.521 3.915 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872023865 1031408581 /nfs/dbraw/zinc/40/85/81/1031408581.db2.gz WJZAYWAPXNFQCX-QZTJIDSGSA-N 2 0 310.526 3.682 20 0 DHADRP FC(F)(F)c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1Cl ZINC000666855494 1031411005 /nfs/dbraw/zinc/41/10/05/1031411005.db2.gz VZRVADRNFRJRRO-NSHDSACASA-N 2 0 306.759 3.591 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)ccc1F ZINC000872034558 1031418309 /nfs/dbraw/zinc/41/83/09/1031418309.db2.gz KAGDCXXYCMBGQR-FUHWJXTLSA-N 2 0 322.468 3.571 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000360428534 1031423721 /nfs/dbraw/zinc/42/37/21/1031423721.db2.gz ODBJOQCHYNZWPE-FUHWJXTLSA-N 2 0 302.462 3.530 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872059426 1031450825 /nfs/dbraw/zinc/45/08/25/1031450825.db2.gz DPZBYPRXNIKMTC-OKZBNKHCSA-N 2 0 320.521 3.721 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000536848028 1031454084 /nfs/dbraw/zinc/45/40/84/1031454084.db2.gz WTSMNXBHUYFXQS-GARXJVFOSA-N 2 0 324.896 3.816 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000536998183 1031487144 /nfs/dbraw/zinc/48/71/44/1031487144.db2.gz IYZVVESSAMLKOT-DNVCBOLYSA-N 2 0 304.453 3.987 20 0 DHADRP COCC(C)(C)CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000872104997 1031495626 /nfs/dbraw/zinc/49/56/26/1031495626.db2.gz XACJGPFLFDDGIT-MJGOQNOKSA-N 2 0 318.505 3.549 20 0 DHADRP COCC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000872105259 1031496316 /nfs/dbraw/zinc/49/63/16/1031496316.db2.gz FEPMFCGICXGAJZ-MJGOQNOKSA-N 2 0 318.505 3.549 20 0 DHADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc4c3CC[C@H]4[NH3+])c2c1 ZINC001171168027 1031498254 /nfs/dbraw/zinc/49/82/54/1031498254.db2.gz IOURSQJHCUPZLI-IFXJQAMLSA-N 2 0 319.452 3.775 20 0 DHADRP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(C4([NH3+])CC4)cc3)c2c1 ZINC001171169639 1031508549 /nfs/dbraw/zinc/50/85/49/1031508549.db2.gz QWCXFJQAPCMGJE-HNNXBMFYSA-N 2 0 319.452 3.776 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000360692156 1031520504 /nfs/dbraw/zinc/52/05/04/1031520504.db2.gz UWJGLPFLEOKQQH-DLBZAZTESA-N 2 0 304.478 3.576 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1cnc(-c2ccccc2)s1 ZINC000872155841 1031535893 /nfs/dbraw/zinc/53/58/93/1031535893.db2.gz YBHJMDWFBDGWKU-UHFFFAOYSA-N 2 0 303.475 3.761 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(Cl)c2cccnc12 ZINC000872155321 1031536504 /nfs/dbraw/zinc/53/65/04/1031536504.db2.gz HZJPIVBQTHHGBW-UHFFFAOYSA-N 2 0 305.853 3.839 20 0 DHADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155291 1031537285 /nfs/dbraw/zinc/53/72/85/1031537285.db2.gz QNBWRQTWYAOJDU-MRXNPFEDSA-N 2 0 319.493 3.588 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1)C1CCCC1 ZINC000872156349 1031538024 /nfs/dbraw/zinc/53/80/24/1031538024.db2.gz ILCLNQZCTATIJM-ZMHJYQQXSA-N 2 0 320.521 3.564 20 0 DHADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158695 1031541041 /nfs/dbraw/zinc/54/10/41/1031541041.db2.gz XAHJRCFZDGJVKX-JTDSTZFVSA-N 2 0 301.478 3.762 20 0 DHADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000537294409 1031559976 /nfs/dbraw/zinc/55/99/76/1031559976.db2.gz CQDMURQATHHZSB-OKZBNKHCSA-N 2 0 310.526 3.536 20 0 DHADRP CC1(C)[NH2+][C@@H](CCN2CC=C(c3ccc(Cl)cc3)CC2)CO1 ZINC001204869691 1031587165 /nfs/dbraw/zinc/58/71/65/1031587165.db2.gz GOWPZNLPDDFTTN-KRWDZBQOSA-N 2 0 320.864 3.544 20 0 DHADRP c1nc(C2CCN(c3cc[nH+]cc3C3CC3)CC2)n2c1CCCC2 ZINC000872524959 1031622816 /nfs/dbraw/zinc/62/28/16/1031622816.db2.gz SQQKHPIDPFDMSM-UHFFFAOYSA-N 2 0 322.456 3.876 20 0 DHADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000360983929 1031657435 /nfs/dbraw/zinc/65/74/35/1031657435.db2.gz BTUOPXVYWSBRPT-IRXDYDNUSA-N 2 0 320.525 3.620 20 0 DHADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000360987730 1031659908 /nfs/dbraw/zinc/65/99/08/1031659908.db2.gz TVPKHEKIMFAERO-INIZCTEOSA-N 2 0 306.498 3.517 20 0 DHADRP C[C@@H](c1ccc(F)nc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930077679 1031692690 /nfs/dbraw/zinc/69/26/90/1031692690.db2.gz FBQAWCZAMMRZIF-INIZCTEOSA-N 2 0 319.468 3.870 20 0 DHADRP CC[C@@](C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(F)cc1 ZINC000873214449 1031761347 /nfs/dbraw/zinc/76/13/47/1031761347.db2.gz FZVMRJDFHRKSBA-GOSISDBHSA-N 2 0 318.461 3.948 20 0 DHADRP COc1ccc(C2CCC([NH2+][C@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000873221647 1031765158 /nfs/dbraw/zinc/76/51/58/1031765158.db2.gz ZOIGFEOKUDFSQM-LSJNQWAISA-N 2 0 316.489 3.699 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254566 1031774066 /nfs/dbraw/zinc/77/40/66/1031774066.db2.gz WZSUOIJNTREISC-YTQUADARSA-N 2 0 316.489 3.680 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000873253005 1031775272 /nfs/dbraw/zinc/77/52/72/1031775272.db2.gz XHQVHKPVEQPECR-GLQYFDAESA-N 2 0 300.368 3.729 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000873252614 1031775698 /nfs/dbraw/zinc/77/56/98/1031775698.db2.gz TYBOKTOFCKJJLT-CAPXZKIUSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(-c2ccccc2F)s1 ZINC000873258044 1031777024 /nfs/dbraw/zinc/77/70/24/1031777024.db2.gz LMHXNFLJMVZLQK-AVGNSLFASA-N 2 0 304.434 3.942 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)ccc1Cl ZINC000873256892 1031777596 /nfs/dbraw/zinc/77/75/96/1031777596.db2.gz PMXPNBYVERCFMQ-KKUMJFAQSA-N 2 0 310.869 3.523 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2ccncc2)cc1 ZINC000873266008 1031781281 /nfs/dbraw/zinc/78/12/81/1031781281.db2.gz YQUAUEAZKNORFR-AFMUBRCDSA-N 2 0 321.468 3.930 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000873270278 1031781898 /nfs/dbraw/zinc/78/18/98/1031781898.db2.gz QWTHAAQGDYTESA-KGLIPLIRSA-N 2 0 315.486 3.849 20 0 DHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273601 1031784089 /nfs/dbraw/zinc/78/40/89/1031784089.db2.gz JFDHHFTWRCASDX-GBJTYRQASA-N 2 0 304.400 3.784 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C3CC[NH2+]CC3)c(C)c2c1 ZINC000873273095 1031785384 /nfs/dbraw/zinc/78/53/84/1031785384.db2.gz YAVZAEATPSHQBB-UONOGXRCSA-N 2 0 316.445 3.789 20 0 DHADRP CC(C)CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccoc1 ZINC000873293629 1031792201 /nfs/dbraw/zinc/79/22/01/1031792201.db2.gz OKOVDJHGZFHRSG-MSOLQXFVSA-N 2 0 320.477 3.505 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC001246581121 1031845023 /nfs/dbraw/zinc/84/50/23/1031845023.db2.gz PNFSWQJKNYWAHD-LBPRGKRZSA-N 2 0 315.288 3.985 20 0 DHADRP C[C@H](Cc1cccnc1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897967562 1031900694 /nfs/dbraw/zinc/90/06/94/1031900694.db2.gz STYQZKOKRBQZSY-DBXWQHBBSA-N 2 0 323.484 3.513 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000846176973 1031913961 /nfs/dbraw/zinc/91/39/61/1031913961.db2.gz KQAKPSWGXALLQY-HXUWFJFHSA-N 2 0 318.505 3.722 20 0 DHADRP FC1(F)CCC(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000898032282 1031925848 /nfs/dbraw/zinc/92/58/48/1031925848.db2.gz YQZZXFKTLOETCL-UHFFFAOYSA-N 2 0 323.431 3.856 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000036907777 1031928867 /nfs/dbraw/zinc/92/88/67/1031928867.db2.gz MQVLRQWHJWHBNA-HSMVNMDESA-N 2 0 315.288 3.854 20 0 DHADRP COc1ccc(C[C@H]2CCCC[N@@H+]2CCCCCC[NH3+])cc1 ZINC000846225530 1031934883 /nfs/dbraw/zinc/93/48/83/1031934883.db2.gz OFZXPABEWLJLEZ-GOSISDBHSA-N 2 0 304.478 3.611 20 0 DHADRP c1cc([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CC2)ccn1 ZINC000898323046 1032021395 /nfs/dbraw/zinc/02/13/95/1032021395.db2.gz WQHDBXSDYMXZEQ-HXUWFJFHSA-N 2 0 313.489 3.919 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000044515701 1032051635 /nfs/dbraw/zinc/05/16/35/1032051635.db2.gz XXAPYPLDFBIWFO-LLVKDONJSA-N 2 0 301.261 3.986 20 0 DHADRP CC1(C)CC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC(C)(C)O1 ZINC001172653944 1033306088 /nfs/dbraw/zinc/30/60/88/1033306088.db2.gz QKSJSFPUIMHTCT-UHFFFAOYSA-N 2 0 322.537 3.967 20 0 DHADRP Cc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000096245643 1033318365 /nfs/dbraw/zinc/31/83/65/1033318365.db2.gz DNDNDXMPAWGLSX-OYRHEFFESA-N 2 0 306.453 3.559 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172717112 1033322560 /nfs/dbraw/zinc/32/25/60/1033322560.db2.gz PNDWQSAHYSZYJJ-IBGZPJMESA-N 2 0 320.908 3.909 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc4ncccc34)C2)CC1 ZINC000877496535 1033323984 /nfs/dbraw/zinc/32/39/84/1033323984.db2.gz UMUFUYYAAVSNKU-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172724202 1033329645 /nfs/dbraw/zinc/32/96/45/1033329645.db2.gz LKXJSPNQQWFXGJ-SFHVURJKSA-N 2 0 318.892 3.615 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172712527 1033347370 /nfs/dbraw/zinc/34/73/70/1033347370.db2.gz MWXZBVFIVVXPCQ-SFHVURJKSA-N 2 0 306.881 3.517 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C(C)C)CC1)CC2 ZINC001172824987 1033387647 /nfs/dbraw/zinc/38/76/47/1033387647.db2.gz CESVCRKRUVLZAY-HXUWFJFHSA-N 2 0 300.490 3.562 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CC(C)C)CC1)CC2 ZINC001172832707 1033394723 /nfs/dbraw/zinc/39/47/23/1033394723.db2.gz UJCRBUWMHCLEGK-NRFANRHFSA-N 2 0 314.517 3.810 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(C)c(C)c2)C1 ZINC000478042116 1033395540 /nfs/dbraw/zinc/39/55/40/1033395540.db2.gz RHDAKPYKKPKEQY-LJQANCHMSA-N 2 0 318.505 3.736 20 0 DHADRP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172831511 1033395772 /nfs/dbraw/zinc/39/57/72/1033395772.db2.gz OMFBSDLLIFHQLA-FQEVSTJZSA-N 2 0 300.490 3.659 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000151112651 1033416862 /nfs/dbraw/zinc/41/68/62/1033416862.db2.gz CSXDGYFHORIVTR-KBPBESRZSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001172849164 1033421611 /nfs/dbraw/zinc/42/16/11/1033421611.db2.gz JZEKAVUXPOCTRG-MELADBBJSA-N 2 0 312.860 3.873 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C(C)(C)CC[NH+](C)C ZINC001172857221 1033426986 /nfs/dbraw/zinc/42/69/86/1033426986.db2.gz ROIFFLJAQXONNK-LBPRGKRZSA-N 2 0 300.849 3.730 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172859412 1033430108 /nfs/dbraw/zinc/43/01/08/1033430108.db2.gz JRDFJGYNWZGFQA-WQVCFCJDSA-N 2 0 312.860 3.873 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC001172869982 1033440967 /nfs/dbraw/zinc/44/09/67/1033440967.db2.gz HDFJTJIYMZKORP-CYBMUJFWSA-N 2 0 312.910 3.752 20 0 DHADRP Cc1cc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC000478261260 1033441297 /nfs/dbraw/zinc/44/12/97/1033441297.db2.gz OYUVTQYGDYLDJD-SFHVURJKSA-N 2 0 315.848 3.714 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC34CC[NH2+]CC4)c(C)c2c1 ZINC000643535474 1033466730 /nfs/dbraw/zinc/46/67/30/1033466730.db2.gz MRUKSUPDXCZKTN-GUYCJALGSA-N 2 0 314.429 3.543 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535772 1033471440 /nfs/dbraw/zinc/47/14/40/1033471440.db2.gz IYPSBYQQZSMQQY-YJBOKZPZSA-N 2 0 302.462 3.658 20 0 DHADRP CO[C@H]1CCC[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928810 1033472408 /nfs/dbraw/zinc/47/24/08/1033472408.db2.gz LWGZUHQVZHIENO-OWYHZJEWSA-N 2 0 308.510 3.849 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000877834799 1033479235 /nfs/dbraw/zinc/47/92/35/1033479235.db2.gz ZMRZNRCOWXZFKR-HIFRSBDPSA-N 2 0 300.437 3.807 20 0 DHADRP C1CC[NH+](C2CC[NH+](C3CCC4(CCOCC4)CC3)CC2)CC1 ZINC001173044096 1033510804 /nfs/dbraw/zinc/51/08/04/1033510804.db2.gz ZGQBCRDNWMFAGZ-UHFFFAOYSA-N 2 0 320.521 3.676 20 0 DHADRP C([C@H]1CCC2(CCC2)O1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877959570 1033531641 /nfs/dbraw/zinc/53/16/41/1033531641.db2.gz NFLMBTFSINBDKK-LJQANCHMSA-N 2 0 320.521 3.676 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc(COC)c2)CC1 ZINC001173107287 1033545204 /nfs/dbraw/zinc/54/52/04/1033545204.db2.gz NLKIIAPXIXSDAQ-UHFFFAOYSA-N 2 0 304.478 3.576 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC001173108141 1033545754 /nfs/dbraw/zinc/54/57/54/1033545754.db2.gz YJKNJYULFWEMRF-DAWZGUTISA-N 2 0 324.896 3.616 20 0 DHADRP CC[NH+](CC)C1CCC([NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001173112759 1033547593 /nfs/dbraw/zinc/54/75/93/1033547593.db2.gz DIIHMAQDBXNYPN-UHFFFAOYSA-N 3 0 321.553 3.590 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001173111297 1033548329 /nfs/dbraw/zinc/54/83/29/1033548329.db2.gz BBADDXSPHNAWAC-CTWPCTMYSA-N 2 0 301.478 3.872 20 0 DHADRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)C2CCC3(CCCCC3)CC2)CC1 ZINC001173118915 1033554340 /nfs/dbraw/zinc/55/43/40/1033554340.db2.gz UGZBUIOYXIFXLS-QAQDUYKDSA-N 2 0 320.521 3.850 20 0 DHADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000152325901 1033559760 /nfs/dbraw/zinc/55/97/60/1033559760.db2.gz SHYADHJNXUDQIN-AOIWGVFYSA-N 2 0 309.457 3.643 20 0 DHADRP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878119883 1033585633 /nfs/dbraw/zinc/58/56/33/1033585633.db2.gz CROCIBQWFUCPHN-JKSUJKDBSA-N 2 0 300.437 3.762 20 0 DHADRP c1ccc(OC2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC001173196905 1033586529 /nfs/dbraw/zinc/58/65/29/1033586529.db2.gz WRBHDGMUMGOKFK-UHFFFAOYSA-N 2 0 316.489 3.842 20 0 DHADRP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173197711 1033590593 /nfs/dbraw/zinc/59/05/93/1033590593.db2.gz KQPFSHZQFUSOLR-WSUVESLISA-N 2 0 316.489 3.839 20 0 DHADRP [NH3+]CCCCCCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173200900 1033592667 /nfs/dbraw/zinc/59/26/67/1033592667.db2.gz RXPVLKGLWZCQSD-UHFFFAOYSA-N 2 0 304.478 3.875 20 0 DHADRP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001173272253 1033642325 /nfs/dbraw/zinc/64/23/25/1033642325.db2.gz UJXZLWNSPVYCLB-WBVHZDCISA-N 2 0 302.462 3.524 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000553331572 1033662627 /nfs/dbraw/zinc/66/26/27/1033662627.db2.gz MPVCGVAYZACUQX-SJORKVTESA-N 2 0 309.457 3.915 20 0 DHADRP CCSC[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001173311914 1033665938 /nfs/dbraw/zinc/66/59/38/1033665938.db2.gz QZYALOFAHAHZLK-IEBWSBKVSA-N 2 0 318.530 3.726 20 0 DHADRP CCSC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001173287165 1033680575 /nfs/dbraw/zinc/68/05/75/1033680575.db2.gz JZRPHDNTVMYIAG-OQIJWPOYSA-N 2 0 318.530 3.913 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](CC[C@@H]3CCCC3(F)F)C2)CC1 ZINC000878549424 1033747225 /nfs/dbraw/zinc/74/72/25/1033747225.db2.gz JXKSMSUJODSGOG-HNNXBMFYSA-N 2 0 300.437 3.620 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCCCC2 ZINC000479549234 1033806720 /nfs/dbraw/zinc/80/67/20/1033806720.db2.gz GCBUQSTZNYGXIO-BTRQGYIVSA-N 2 0 320.521 3.721 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000554115581 1033968069 /nfs/dbraw/zinc/96/80/69/1033968069.db2.gz AVOROOXUZZYOHN-RBUKOAKNSA-N 2 0 316.489 3.695 20 0 DHADRP C[C@@H](CNc1cc[nH+]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000554181502 1034010152 /nfs/dbraw/zinc/01/01/52/1034010152.db2.gz ZBKLOWPMTXLDOH-INIZCTEOSA-N 2 0 317.436 3.515 20 0 DHADRP CCCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)c1 ZINC000667597502 1034023621 /nfs/dbraw/zinc/02/36/21/1034023621.db2.gz PIFZOKPDSUZQKH-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP Fc1ccc(C2CCC([NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000863482887 1034106855 /nfs/dbraw/zinc/10/68/55/1034106855.db2.gz MPKOJARBQBZHAG-VMWRSERWSA-N 2 0 302.437 3.726 20 0 DHADRP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H]3C3CC3)CC2)c1 ZINC000554350395 1034109306 /nfs/dbraw/zinc/10/93/06/1034109306.db2.gz HHOWTDDTGHHGQP-ROUUACIJSA-N 2 0 304.503 3.738 20 0 DHADRP FC(F)n1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000863547165 1034127127 /nfs/dbraw/zinc/12/71/27/1034127127.db2.gz PSXFOPAJBXVEFX-GZBFAFLISA-N 2 0 319.399 3.514 20 0 DHADRP COC[C@@H](C)[N@H+](CCCCCC[NH3+])[C@H]1CCc2ccccc21 ZINC000863574038 1034130442 /nfs/dbraw/zinc/13/04/42/1034130442.db2.gz ZTSGFXSXLPOSOK-APWZRJJASA-N 2 0 304.478 3.530 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccncc3s2)C[C@H]1C ZINC000667664810 1034217711 /nfs/dbraw/zinc/21/77/11/1034217711.db2.gz SXTCWELCGFXOIY-UKRRQHHQSA-N 2 0 303.475 3.601 20 0 DHADRP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000178300145 1034225388 /nfs/dbraw/zinc/22/53/88/1034225388.db2.gz RSFWWARMMUTGKA-NSHDSACASA-N 2 0 321.465 3.811 20 0 DHADRP [NH3+][C@H]1CCc2c3ccccc3n(C3CC[NH+](CC4CC4)CC3)c2C1 ZINC001168363010 1034256086 /nfs/dbraw/zinc/25/60/86/1034256086.db2.gz PSPUWENLHSCAFL-INIZCTEOSA-N 2 0 323.484 3.504 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000480601027 1034331096 /nfs/dbraw/zinc/33/10/96/1034331096.db2.gz NDBHDCQZBQCLRR-FXAWDEMLSA-N 2 0 318.505 3.822 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000480601030 1034331429 /nfs/dbraw/zinc/33/14/29/1034331429.db2.gz NDBHDCQZBQCLRR-YLJYHZDGSA-N 2 0 318.505 3.822 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000480603021 1034336425 /nfs/dbraw/zinc/33/64/25/1034336425.db2.gz RGWATPSWDORVMG-PXNSSMCTSA-N 2 0 318.505 3.679 20 0 DHADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000480606841 1034349635 /nfs/dbraw/zinc/34/96/35/1034349635.db2.gz IPLLUXPSLYMFNP-BBWFWOEESA-N 2 0 316.489 3.735 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000480624648 1034358287 /nfs/dbraw/zinc/35/82/87/1034358287.db2.gz LJFFUQPDVUHUGW-IBGZPJMESA-N 2 0 304.453 3.915 20 0 DHADRP COC1(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCCCC1 ZINC000480637882 1034369964 /nfs/dbraw/zinc/36/99/64/1034369964.db2.gz SALAFXCPNMRZRN-UHFFFAOYSA-N 2 0 318.505 3.966 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCCCC1 ZINC000480659338 1034380198 /nfs/dbraw/zinc/38/01/98/1034380198.db2.gz FKEURINFIVDCFV-MJGOQNOKSA-N 2 0 322.537 3.968 20 0 DHADRP Fc1cccc(CC2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000480753195 1034430610 /nfs/dbraw/zinc/43/06/10/1034430610.db2.gz ATWDTINXWLAGLJ-MSOLQXFVSA-N 2 0 302.437 3.507 20 0 DHADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000480783296 1034444120 /nfs/dbraw/zinc/44/41/20/1034444120.db2.gz ZKMXRFDEYGUDQA-GFCCVEGCSA-N 2 0 319.276 3.612 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000554991381 1034449690 /nfs/dbraw/zinc/44/96/90/1034449690.db2.gz LQDIOTQPCSOHQO-QWFCFKBJSA-N 2 0 317.521 3.532 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000554981414 1034454197 /nfs/dbraw/zinc/45/41/97/1034454197.db2.gz COLRLFHWBKGCDM-AZUAARDMSA-N 2 0 318.505 3.692 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250515026 1034457798 /nfs/dbraw/zinc/45/77/98/1034457798.db2.gz UVUUCYGFRYBBQI-WMLDXEAASA-N 2 0 300.471 3.865 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000184341754 1034464948 /nfs/dbraw/zinc/46/49/48/1034464948.db2.gz QWSOOHTVLBKQGO-AZUAARDMSA-N 2 0 323.484 3.605 20 0 DHADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000480893778 1034499397 /nfs/dbraw/zinc/49/93/97/1034499397.db2.gz DNMLGPKOKULEPT-SJORKVTESA-N 2 0 318.505 3.964 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000555204818 1034560356 /nfs/dbraw/zinc/56/03/56/1034560356.db2.gz DVZYZSIDABDMRN-FQEVSTJZSA-N 2 0 309.457 3.774 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481026881 1034561269 /nfs/dbraw/zinc/56/12/69/1034561269.db2.gz USUDYNHQRXQPLR-PMACEKPBSA-N 2 0 302.506 3.884 20 0 DHADRP Fc1ccc(SCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072763 1034594929 /nfs/dbraw/zinc/59/49/29/1034594929.db2.gz ZAQRMTRPUAQMKN-CVEARBPZSA-N 2 0 308.466 3.524 20 0 DHADRP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000186470000 1034631693 /nfs/dbraw/zinc/63/16/93/1034631693.db2.gz INYXWTFPKVKYNX-GVDBMIGSSA-N 2 0 304.503 3.692 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865450567 1034652903 /nfs/dbraw/zinc/65/29/03/1034652903.db2.gz RGASWZQJAUOAPF-OAHLLOKOSA-N 2 0 315.436 3.584 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCS2 ZINC000186993859 1034677700 /nfs/dbraw/zinc/67/77/00/1034677700.db2.gz YPJWVYPERHYOBY-MAUKXSAKSA-N 2 0 316.514 3.914 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865509622 1034682160 /nfs/dbraw/zinc/68/21/60/1034682160.db2.gz SUYJZJLDKPPOLV-UHFFFAOYSA-N 2 0 316.276 3.598 20 0 DHADRP c1ccc(OCCCCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000187687332 1034724796 /nfs/dbraw/zinc/72/47/96/1034724796.db2.gz SGFSWDSKFQISIV-UHFFFAOYSA-N 2 0 316.489 3.700 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(Cl)cs1 ZINC000193069897 1034830660 /nfs/dbraw/zinc/83/06/60/1034830660.db2.gz GIYHOWGBUWWFDB-UHFFFAOYSA-N 2 0 324.877 3.632 20 0 DHADRP Cc1ccc(SCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000555596773 1034833857 /nfs/dbraw/zinc/83/38/57/1034833857.db2.gz DEMACLXCGYSZHW-LJQANCHMSA-N 2 0 318.530 3.813 20 0 DHADRP Cc1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc(F)c1F ZINC001143606945 1034867445 /nfs/dbraw/zinc/86/74/45/1034867445.db2.gz JIGNTTICHLGOFO-UHFFFAOYSA-N 2 0 322.443 3.827 20 0 DHADRP CCC(CC)(CC)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000667902803 1034880864 /nfs/dbraw/zinc/88/08/64/1034880864.db2.gz VRZZBTNQMIUUQP-QZTJIDSGSA-N 2 0 310.526 3.560 20 0 DHADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@H]2CCC(C)(C)CO2)CC1 ZINC001175352822 1034947615 /nfs/dbraw/zinc/94/76/15/1034947615.db2.gz RXYPLEHPMJXKCL-RTBURBONSA-N 2 0 322.537 3.778 20 0 DHADRP CN(C)c1cc[nH+]cc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361405 1034951197 /nfs/dbraw/zinc/95/11/97/1034951197.db2.gz KSLRXJUYKARUSR-UHFFFAOYSA-N 2 0 310.445 3.877 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCC[NH+](C)C)cc1F ZINC000481953390 1035038447 /nfs/dbraw/zinc/03/84/47/1035038447.db2.gz MHONOOHGWQBKRQ-FUHWJXTLSA-N 2 0 322.468 3.792 20 0 DHADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCC2(CCC2)O1 ZINC001175601862 1035040004 /nfs/dbraw/zinc/04/00/04/1035040004.db2.gz VMTBQTZGLHTGND-LJQANCHMSA-N 2 0 322.537 3.778 20 0 DHADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCC2(CCC2)O1 ZINC001175601861 1035040287 /nfs/dbraw/zinc/04/02/87/1035040287.db2.gz VMTBQTZGLHTGND-IBGZPJMESA-N 2 0 322.537 3.778 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062197 1035053041 /nfs/dbraw/zinc/05/30/41/1035053041.db2.gz QWYIBGDTWQXZRX-UGLVGNDVSA-N 2 0 324.871 3.986 20 0 DHADRP CCCc1cccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000482148519 1035060912 /nfs/dbraw/zinc/06/09/12/1035060912.db2.gz SQZIGJGFWBFFBU-LJQANCHMSA-N 2 0 311.473 3.827 20 0 DHADRP CC(C)[NH+](CCC[NH2+]CCCc1ccc2c(c1)CCO2)C(C)C ZINC000482215847 1035068160 /nfs/dbraw/zinc/06/81/60/1035068160.db2.gz CRGBAXCDBLMIPW-UHFFFAOYSA-N 2 0 318.505 3.653 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000482314675 1035083917 /nfs/dbraw/zinc/08/39/17/1035083917.db2.gz FFWCMJGUBRCNQR-VCBZYWHSSA-N 2 0 304.453 3.769 20 0 DHADRP Cc1cccc(C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C2CC2)c1 ZINC000482343645 1035087310 /nfs/dbraw/zinc/08/73/10/1035087310.db2.gz LRWIADRQZJWWLW-FQEVSTJZSA-N 2 0 300.490 3.638 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000482515741 1035124453 /nfs/dbraw/zinc/12/44/53/1035124453.db2.gz YNNLALPXGOLPAP-KUHUBIRLSA-N 2 0 304.453 3.771 20 0 DHADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1C ZINC000194413317 1035139657 /nfs/dbraw/zinc/13/96/57/1035139657.db2.gz SRTSTOCAVLWMTO-SJLPKXTDSA-N 2 0 316.489 3.746 20 0 DHADRP Fc1cccc(C[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000482688543 1035163032 /nfs/dbraw/zinc/16/30/32/1035163032.db2.gz DGQLRVVJXBRTGG-IBGZPJMESA-N 2 0 304.453 3.709 20 0 DHADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000482707411 1035166345 /nfs/dbraw/zinc/16/63/45/1035166345.db2.gz SXQTYFROIOORJM-FQEVSTJZSA-N 2 0 300.490 3.878 20 0 DHADRP COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000568050989 1035166516 /nfs/dbraw/zinc/16/65/16/1035166516.db2.gz QSBGQGPKRKWHQW-OAQYLSRUSA-N 2 0 322.452 3.678 20 0 DHADRP [NH3+]Cc1ccc(Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC001175972655 1035171516 /nfs/dbraw/zinc/17/15/16/1035171516.db2.gz FZPIEGKLYVSXQC-UHFFFAOYSA-N 2 0 309.457 3.917 20 0 DHADRP CCN(CCC[NH+](C)C)Cc1ccc(-c2scnc2C)cc1 ZINC000668165733 1035200651 /nfs/dbraw/zinc/20/06/51/1035200651.db2.gz DISHTFLGRBGGNG-UHFFFAOYSA-N 2 0 317.502 3.892 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000482944693 1035203695 /nfs/dbraw/zinc/20/36/95/1035203695.db2.gz HZPPMCVVZCYIJQ-BLLLJJGKSA-N 2 0 312.860 3.687 20 0 DHADRP CC[C@@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956031 1035205390 /nfs/dbraw/zinc/20/53/90/1035205390.db2.gz ZLDNKEWWPDZNFT-IBGZPJMESA-N 2 0 304.478 3.577 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c(C)c1 ZINC000668172885 1035205764 /nfs/dbraw/zinc/20/57/64/1035205764.db2.gz VWBZBVHBSINZHV-APWZRJJASA-N 2 0 304.478 3.556 20 0 DHADRP Cc1cccc2c1[nH+]c(N)n2-c1cccc(C[NH+]2CCCC2)c1 ZINC001176194992 1035217780 /nfs/dbraw/zinc/21/77/80/1035217780.db2.gz SXCTVJGNMRRGMR-UHFFFAOYSA-N 2 0 306.413 3.512 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000483172456 1035237391 /nfs/dbraw/zinc/23/73/91/1035237391.db2.gz LCODZUIOFWWPEO-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(OC)c1 ZINC000483209748 1035241548 /nfs/dbraw/zinc/24/15/48/1035241548.db2.gz ZNDDKECYEYIRES-KBXCAEBGSA-N 2 0 322.493 3.721 20 0 DHADRP c1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC001176382579 1035252776 /nfs/dbraw/zinc/25/27/76/1035252776.db2.gz QTHOXCFRHVBLGI-UHFFFAOYSA-N 2 0 323.440 3.577 20 0 DHADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(Cl)c2Cl)C1 ZINC000163225083 1035299355 /nfs/dbraw/zinc/29/93/55/1035299355.db2.gz KJYYMSKYPXGBPU-NWDGAFQWSA-N 2 0 301.261 3.986 20 0 DHADRP CCN1C[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000484473908 1035344177 /nfs/dbraw/zinc/34/41/77/1035344177.db2.gz JBPDVEJLAQLWNS-YRNRMSPPSA-N 2 0 309.457 3.739 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001206292912 1035348646 /nfs/dbraw/zinc/34/86/46/1035348646.db2.gz FPUQKSCRAXNWOB-OAHLLOKOSA-N 2 0 301.261 3.944 20 0 DHADRP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000484495106 1035352465 /nfs/dbraw/zinc/35/24/65/1035352465.db2.gz PWAASQUBXOOBEH-HXUWFJFHSA-N 2 0 312.501 3.931 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC001206297359 1035358212 /nfs/dbraw/zinc/35/82/12/1035358212.db2.gz XXHBZAMEYXCEHF-HNNXBMFYSA-N 2 0 301.261 3.944 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001177262249 1035362115 /nfs/dbraw/zinc/36/21/15/1035362115.db2.gz RLFFDIPQAUZAFT-FUHIMQAGSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccnc1 ZINC000067668297 1035370840 /nfs/dbraw/zinc/37/08/40/1035370840.db2.gz YBMKGMQEWYQMLA-KRWDZBQOSA-N 2 0 309.457 3.746 20 0 DHADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC001177669099 1035386158 /nfs/dbraw/zinc/38/61/58/1035386158.db2.gz PRGOPQQMUYPRMZ-IBGZPJMESA-N 2 0 312.501 3.863 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000904341240 1035401379 /nfs/dbraw/zinc/40/13/79/1035401379.db2.gz LSHBFTYFGUIRDX-DRQUAOQDSA-N 2 0 312.379 3.622 20 0 DHADRP C[C@@H](CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000904359109 1035405150 /nfs/dbraw/zinc/40/51/50/1035405150.db2.gz COAPUHYVMMDYGL-SLEUVZQESA-N 2 0 300.368 3.526 20 0 DHADRP Cc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1Br ZINC000904373176 1035407359 /nfs/dbraw/zinc/40/73/59/1035407359.db2.gz CDERNYLFEXPNLW-UHFFFAOYSA-N 2 0 319.246 3.506 20 0 DHADRP CCC[C@@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000904366254 1035407967 /nfs/dbraw/zinc/40/79/67/1035407967.db2.gz GZSLBGVIHRBJTI-WDIPEOLASA-N 2 0 300.368 3.874 20 0 DHADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000904389306 1035408105 /nfs/dbraw/zinc/40/81/05/1035408105.db2.gz WGNCKVBFMPILLP-GFCCVEGCSA-N 2 0 304.434 3.692 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904383617 1035408952 /nfs/dbraw/zinc/40/89/52/1035408952.db2.gz AJQFPRWEODTBIR-KRWDZBQOSA-N 2 0 314.395 3.960 20 0 DHADRP c1nc(C2CC2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416093 1035411458 /nfs/dbraw/zinc/41/14/58/1035411458.db2.gz GVKGDRRBGRSBBU-CQSZACIVSA-N 2 0 319.518 3.622 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001178156936 1035411566 /nfs/dbraw/zinc/41/15/66/1035411566.db2.gz MUSXYUGGNKBRSP-ABHNRTSZSA-N 2 0 312.542 3.785 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139691 1035415823 /nfs/dbraw/zinc/41/58/23/1035415823.db2.gz ITUNUICBRXEJTE-RDJZCZTQSA-N 2 0 300.471 3.921 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000195138093 1035415947 /nfs/dbraw/zinc/41/59/47/1035415947.db2.gz DNMPEGNOXTWWNG-WMZOPIPTSA-N 2 0 312.432 3.998 20 0 DHADRP Cc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476194 1035418231 /nfs/dbraw/zinc/41/82/31/1035418231.db2.gz SCLZTRHSKALLOP-FPOVZHCZSA-N 2 0 322.452 3.649 20 0 DHADRP C[C@H]1C[N@H+](CCC[NH2+]CC2CCC(C(C)(C)C)CC2)CCCO1 ZINC001178472831 1035430762 /nfs/dbraw/zinc/43/07/62/1035430762.db2.gz IGMWXCWISNBYFR-VIQWUECVSA-N 2 0 324.553 3.929 20 0 DHADRP Fc1cccc(/C=C/C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001178611383 1035439374 /nfs/dbraw/zinc/43/93/74/1035439374.db2.gz YHXSPIBAQMCFTE-MVHVFESUSA-N 2 0 324.443 3.951 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cc(F)ccc3F)c2)CC1 ZINC000904841480 1035461663 /nfs/dbraw/zinc/46/16/63/1035461663.db2.gz PISNSIFTASPGHH-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP C[C@H]1SCC[C@@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001179086884 1035464332 /nfs/dbraw/zinc/46/43/32/1035464332.db2.gz WIGQUYVETDELLW-WBVHZDCISA-N 2 0 306.519 3.628 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000568781959 1035474589 /nfs/dbraw/zinc/47/45/89/1035474589.db2.gz BUWMEZXMCDDYGD-HUUCEWRRSA-N 2 0 323.278 3.688 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222419342 1035538249 /nfs/dbraw/zinc/53/82/49/1035538249.db2.gz QUVSMOSOJLMMPC-RBSFLKMASA-N 2 0 306.416 3.962 20 0 DHADRP Cc1cc(C)cc(CC[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC001180051856 1035577050 /nfs/dbraw/zinc/57/70/50/1035577050.db2.gz MIXLVXSKILFTAU-UHFFFAOYSA-N 2 0 302.506 3.900 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001168466357 1035617363 /nfs/dbraw/zinc/61/73/63/1035617363.db2.gz CRPWUVASCDXLMK-INIZCTEOSA-N 2 0 318.480 3.858 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC001204265322 1035640297 /nfs/dbraw/zinc/64/02/97/1035640297.db2.gz FJRAPXQINZXISN-UHFFFAOYSA-N 2 0 312.457 3.649 20 0 DHADRP CC(C)[NH2+]C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000191300984 1035676551 /nfs/dbraw/zinc/67/65/51/1035676551.db2.gz CPPFHNZUSKVSCV-WOJBJXKFSA-N 2 0 300.490 3.959 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC001193649437 1035692850 /nfs/dbraw/zinc/69/28/50/1035692850.db2.gz QEGPPYFGVGRFIS-ZCNNSNEGSA-N 2 0 300.490 3.862 20 0 DHADRP CC[NH+]1CCC(C[N@H+](Cc2ccc(F)cc2F)C2CC2)CC1 ZINC001180558867 1035718311 /nfs/dbraw/zinc/71/83/11/1035718311.db2.gz XVSKQWGEWZDVJQ-UHFFFAOYSA-N 2 0 308.416 3.661 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168467599 1035795074 /nfs/dbraw/zinc/79/50/74/1035795074.db2.gz JASVGRJNTFLHCA-LSBZLQRGSA-N 2 0 304.453 3.881 20 0 DHADRP CCC(CC)[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC(C)C ZINC000192752830 1035816013 /nfs/dbraw/zinc/81/60/13/1035816013.db2.gz NGSNUDRKIMODMI-UHFFFAOYSA-N 2 0 311.558 3.549 20 0 DHADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cccc(F)c3F)cc2)CC1 ZINC000906193223 1035849585 /nfs/dbraw/zinc/84/95/85/1035849585.db2.gz LVZFNRZWRKLRJH-UHFFFAOYSA-N 2 0 302.368 3.555 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000494747518 1035852364 /nfs/dbraw/zinc/85/23/64/1035852364.db2.gz ICXKUDPFWAKKAL-LMMKCTJWSA-N 2 0 304.478 3.617 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1N(C)C)C[NH+]1CCCCC1 ZINC000539859510 1035909798 /nfs/dbraw/zinc/90/97/98/1035909798.db2.gz FPGHEUUOGMNBBH-SJORKVTESA-N 2 0 303.494 3.525 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC001194383280 1035916500 /nfs/dbraw/zinc/91/65/00/1035916500.db2.gz BFWXZGYZDVPBOL-GOSISDBHSA-N 2 0 310.526 3.637 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001168468827 1035920175 /nfs/dbraw/zinc/92/01/75/1035920175.db2.gz OVGYKLJOIYVQRZ-AWEZNQCLSA-N 2 0 306.469 3.998 20 0 DHADRP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC001181674133 1035962423 /nfs/dbraw/zinc/96/24/23/1035962423.db2.gz OEHYAWYMZNCMRX-APWZRJJASA-N 2 0 316.489 3.810 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000540363052 1036052639 /nfs/dbraw/zinc/05/26/39/1036052639.db2.gz MSSVHFVNQYSAFX-FUHWJXTLSA-N 2 0 304.478 3.999 20 0 DHADRP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000486009212 1036080762 /nfs/dbraw/zinc/08/07/62/1036080762.db2.gz WGCJDYAIDNIHFP-OKILXGFUSA-N 2 0 315.848 3.503 20 0 DHADRP C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540961869 1036199749 /nfs/dbraw/zinc/19/97/49/1036199749.db2.gz KBRILPNFAUMUMU-OXQOHEQNSA-N 2 0 312.501 3.923 20 0 DHADRP CCOc1c(Cl)cccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000495079493 1036228595 /nfs/dbraw/zinc/22/85/95/1036228595.db2.gz AJHGYWRCERZEGG-UHFFFAOYSA-N 2 0 310.869 3.512 20 0 DHADRP Fc1cccc2c1SCC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250102943 1036247109 /nfs/dbraw/zinc/24/71/09/1036247109.db2.gz HTCSOUWJPBOPQZ-XEZPLFJOSA-N 2 0 306.450 3.579 20 0 DHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000192944537 1036277250 /nfs/dbraw/zinc/27/72/50/1036277250.db2.gz IOAGQHBYNHCSLS-CYBMUJFWSA-N 2 0 302.462 3.581 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1C ZINC000774498063 1036361271 /nfs/dbraw/zinc/36/12/71/1036361271.db2.gz QEKYDJONXNGQLH-MRXNPFEDSA-N 2 0 316.489 3.837 20 0 DHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCCCC1 ZINC000541566073 1036361231 /nfs/dbraw/zinc/36/12/31/1036361231.db2.gz OUYRWYOCOIZOPA-VDGAXYAQSA-N 2 0 322.537 3.703 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718246 1036371303 /nfs/dbraw/zinc/37/13/03/1036371303.db2.gz SYWZIHWDYITMBO-HNNXBMFYSA-N 2 0 317.452 3.765 20 0 DHADRP C[C@H]([NH2+]CCCc1ccsc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603145 1036386389 /nfs/dbraw/zinc/38/63/89/1036386389.db2.gz NRNQSERGGMKCOJ-RDJZCZTQSA-N 2 0 306.519 3.923 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000541882370 1036451925 /nfs/dbraw/zinc/45/19/25/1036451925.db2.gz GVXRYHGVIDSZQM-HMXCVIKNSA-N 2 0 324.468 3.631 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C/C=C/c2ccncc2)c1 ZINC000486926329 1036465416 /nfs/dbraw/zinc/46/54/16/1036465416.db2.gz IOVMCSCAZLSYEF-RMKNXTFCSA-N 2 0 309.457 3.726 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C/C=C\c1ccncc1 ZINC000486974541 1036491766 /nfs/dbraw/zinc/49/17/66/1036491766.db2.gz XOYGEYYXRKCWPI-SREVYHEPSA-N 2 0 309.457 3.725 20 0 DHADRP c1cc(N2CCC([NH2+]C3CCC(C4CCC4)CC3)CC2)cc[nH+]1 ZINC000668738159 1036528804 /nfs/dbraw/zinc/52/88/04/1036528804.db2.gz BEAQBNFXDYADRP-UHFFFAOYSA-N 2 0 313.489 3.999 20 0 DHADRP C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000495369599 1036578903 /nfs/dbraw/zinc/57/89/03/1036578903.db2.gz UKSYTEHNZQYZRI-IEODJVTJSA-N 2 0 324.468 3.991 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001196623719 1036581504 /nfs/dbraw/zinc/58/15/04/1036581504.db2.gz UHCTUKJJQGZXGA-UFYCRDLUSA-N 2 0 316.489 3.528 20 0 DHADRP COc1cc(C)ccc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001183464174 1036597395 /nfs/dbraw/zinc/59/73/95/1036597395.db2.gz PIJMJVTWTHORDG-UHFFFAOYSA-N 2 0 318.505 3.803 20 0 DHADRP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274369 1036622616 /nfs/dbraw/zinc/62/26/16/1036622616.db2.gz WDDNYBTXSOWQBX-OAHLLOKOSA-N 2 0 316.367 3.597 20 0 DHADRP CCOc1c(Cl)cccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000487319230 1036659876 /nfs/dbraw/zinc/65/98/76/1036659876.db2.gz GSXKYBMHMWECQQ-MQVJKMGUSA-N 2 0 322.880 3.844 20 0 DHADRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccnc3c(Cl)cccc23)CC1 ZINC001205288989 1036725828 /nfs/dbraw/zinc/72/58/28/1036725828.db2.gz QXKAXYBHQIIPCG-QGZVFWFLSA-N 2 0 303.837 3.592 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001184135920 1036749595 /nfs/dbraw/zinc/74/95/95/1036749595.db2.gz XMBNZTMMZVXCFL-JLAWEPINSA-N 2 0 318.892 3.804 20 0 DHADRP Clc1ccc(CC[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000668818046 1036828017 /nfs/dbraw/zinc/82/80/17/1036828017.db2.gz FAZRGLDTZFYCPG-KRWDZBQOSA-N 2 0 306.881 3.594 20 0 DHADRP Clc1ccc(CC[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000668818048 1036829116 /nfs/dbraw/zinc/82/91/16/1036829116.db2.gz FAZRGLDTZFYCPG-QGZVFWFLSA-N 2 0 306.881 3.594 20 0 DHADRP C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001205297022 1036839712 /nfs/dbraw/zinc/83/97/12/1036839712.db2.gz WYWPJKCBPQQZKB-UKRRQHHQSA-N 2 0 314.395 3.555 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488424290 1037005470 /nfs/dbraw/zinc/00/54/70/1037005470.db2.gz CMHMAQDILBMYHO-XMTFNYHQSA-N 2 0 312.567 3.864 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488428733 1037013803 /nfs/dbraw/zinc/01/38/03/1037013803.db2.gz DLBRGXJJEBMTLQ-QZTJIDSGSA-N 2 0 310.551 3.761 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000175717844 1037073278 /nfs/dbraw/zinc/07/32/78/1037073278.db2.gz UBTDJURMYJCJHB-CZUORRHYSA-N 2 0 314.395 3.868 20 0 DHADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)COC1CCCCC1 ZINC000316351949 1037087000 /nfs/dbraw/zinc/08/70/00/1037087000.db2.gz JFUGUCQCXQWCSB-CEXWTWQISA-N 2 0 308.510 3.626 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000570200929 1037094501 /nfs/dbraw/zinc/09/45/01/1037094501.db2.gz CBGJATQPTHRDHP-UHFFFAOYSA-N 2 0 304.478 3.563 20 0 DHADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cncc4ccccc43)CC2)C1 ZINC001279156774 1037122547 /nfs/dbraw/zinc/12/25/47/1037122547.db2.gz BBURVAJNVDOKLZ-UHFFFAOYSA-N 2 0 309.457 3.543 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000570249163 1037136426 /nfs/dbraw/zinc/13/64/26/1037136426.db2.gz VNPPPAAJNQLRLM-HOJAQTOUSA-N 2 0 300.490 3.817 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000570249165 1037137672 /nfs/dbraw/zinc/13/76/72/1037137672.db2.gz VNPPPAAJNQLRLM-MISYRCLQSA-N 2 0 300.490 3.817 20 0 DHADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000309663165 1037169369 /nfs/dbraw/zinc/16/93/69/1037169369.db2.gz NJRVJOUYJOLLOJ-OAQYLSRUSA-N 2 0 308.469 3.915 20 0 DHADRP Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309730070 1037175678 /nfs/dbraw/zinc/17/56/78/1037175678.db2.gz RIFNGKINBNYEQU-GHTZIAJQSA-N 2 0 308.469 3.995 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000309761544 1037180009 /nfs/dbraw/zinc/18/00/09/1037180009.db2.gz DTMMDIWOVIJOEQ-UMGGQSCQSA-N 2 0 300.490 3.923 20 0 DHADRP CC(C)C1CC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309795942 1037182061 /nfs/dbraw/zinc/18/20/61/1037182061.db2.gz QDRCIFRXFBWHKM-FVPXHTFXSA-N 2 0 300.490 3.921 20 0 DHADRP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309811787 1037185917 /nfs/dbraw/zinc/18/59/17/1037185917.db2.gz MYEDHFAPRUBTSS-HEEFDWFXSA-N 2 0 306.453 3.812 20 0 DHADRP CC(C)C[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310032802 1037204447 /nfs/dbraw/zinc/20/44/47/1037204447.db2.gz YOHYSXUSLRHIOO-IHPCNDPISA-N 2 0 300.490 3.875 20 0 DHADRP CCC1(CC)CCC([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC001199161624 1037209763 /nfs/dbraw/zinc/20/97/63/1037209763.db2.gz KKOVNLJDDLHJIQ-LJQANCHMSA-N 2 0 323.569 3.597 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168447998 1037219299 /nfs/dbraw/zinc/21/92/99/1037219299.db2.gz JCBKMOOBHDUVSF-FQEVSTJZSA-N 2 0 318.480 3.879 20 0 DHADRP Cc1ccc2cc(C[NH2+]C[C@H](C)C[NH+]3CCCCC3)ccc2n1 ZINC000322642994 1037230208 /nfs/dbraw/zinc/23/02/08/1037230208.db2.gz IWHUUANTWUTBJE-INIZCTEOSA-N 2 0 311.473 3.755 20 0 DHADRP C[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393832513 1037233747 /nfs/dbraw/zinc/23/37/47/1037233747.db2.gz LBZXCVHUGKXOKT-AZUAARDMSA-N 2 0 324.468 3.566 20 0 DHADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000924842723 1037234977 /nfs/dbraw/zinc/23/49/77/1037234977.db2.gz HWUXHYRLJMTNKN-MSOLQXFVSA-N 2 0 320.521 3.719 20 0 DHADRP [NH3+]CCCCCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000843126922 1037263366 /nfs/dbraw/zinc/26/33/66/1037263366.db2.gz BBHPGZRIQOFQEO-UHFFFAOYSA-N 2 0 319.674 3.711 20 0 DHADRP COCCC[C@H](C)[NH2+]C[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000178455338 1037317223 /nfs/dbraw/zinc/31/72/23/1037317223.db2.gz ZZOKAOMTQHNCPJ-AZUAARDMSA-N 2 0 318.505 3.864 20 0 DHADRP Cc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](C(C)(C)C)CC3)c21 ZINC000178619371 1037330154 /nfs/dbraw/zinc/33/01/54/1037330154.db2.gz DTIXJNPKBZBGMC-UHFFFAOYSA-N 2 0 313.489 3.871 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccsc1 ZINC000178620441 1037330833 /nfs/dbraw/zinc/33/08/33/1037330833.db2.gz BITCCINBMOWPIM-AEFFLSMTSA-N 2 0 314.498 3.963 20 0 DHADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000660113604 1037341989 /nfs/dbraw/zinc/34/19/89/1037341989.db2.gz CGZOIGINZQKHHJ-YSIASYRMSA-N 2 0 320.521 3.530 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001168454858 1037345609 /nfs/dbraw/zinc/34/56/09/1037345609.db2.gz BHINLIVTZWEYOD-HNNXBMFYSA-N 2 0 300.421 3.608 20 0 DHADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC001199923734 1037372419 /nfs/dbraw/zinc/37/24/19/1037372419.db2.gz AGZBSDNZVXNTFM-VQTJNVASSA-N 2 0 322.537 3.824 20 0 DHADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1Cl ZINC000179040412 1037376154 /nfs/dbraw/zinc/37/61/54/1037376154.db2.gz VSYMHVMJSAOTDL-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000105458693 1037409068 /nfs/dbraw/zinc/40/90/68/1037409068.db2.gz AKEJNMCABJSJCZ-UHFFFAOYSA-N 2 0 320.786 3.790 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001168459087 1037433634 /nfs/dbraw/zinc/43/36/34/1037433634.db2.gz KFTFFTORGGHWAQ-LJHODMEESA-N 2 0 306.469 3.890 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C[C@H]2CCC=CO2)C[N@@H+]1Cc1ccccc1 ZINC000775035525 1037449141 /nfs/dbraw/zinc/44/91/41/1037449141.db2.gz ZWRSJFTYRRAAQH-MISYRCLQSA-N 2 0 314.473 3.569 20 0 DHADRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CCc1ccc(Cl)cc1Cl ZINC001205903567 1037483220 /nfs/dbraw/zinc/48/32/20/1037483220.db2.gz QBTHWKLVZANMFQ-YPMHNXCESA-N 2 0 301.261 3.595 20 0 DHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000493976590 1037603930 /nfs/dbraw/zinc/60/39/30/1037603930.db2.gz JUBSCJKHDUZVKY-JXFKEZNVSA-N 2 0 312.457 3.614 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)CC3 ZINC000490121125 1037616760 /nfs/dbraw/zinc/61/67/60/1037616760.db2.gz YZVKRAGGMRTLEF-LPTQZCDUSA-N 2 0 323.484 3.550 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC001201388895 1037646128 /nfs/dbraw/zinc/64/61/28/1037646128.db2.gz MVNNVCVITRUVAH-DAWZGUTISA-N 2 0 312.542 3.928 20 0 DHADRP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001201556868 1037743148 /nfs/dbraw/zinc/74/31/48/1037743148.db2.gz BRLFZUFIXLOVGN-KRWDZBQOSA-N 2 0 306.519 3.866 20 0 DHADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCO1 ZINC000490587947 1037743324 /nfs/dbraw/zinc/74/33/24/1037743324.db2.gz JBDBDJUGWGBNIN-QWFCFKBJSA-N 2 0 322.537 3.778 20 0 DHADRP CCC[C@H](C)C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001201551838 1037757025 /nfs/dbraw/zinc/75/70/25/1037757025.db2.gz FPALJQULSKYUTJ-KRWDZBQOSA-N 2 0 300.490 3.945 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000638151597 1037777192 /nfs/dbraw/zinc/77/71/92/1037777192.db2.gz DRMOSAADVNYUMO-MJGOQNOKSA-N 2 0 308.510 3.532 20 0 DHADRP CC(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201631726 1037801588 /nfs/dbraw/zinc/80/15/88/1037801588.db2.gz ZHYCCFFFYAAROY-PMACEKPBSA-N 2 0 300.490 3.877 20 0 DHADRP CCCc1ccccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667460 1037819847 /nfs/dbraw/zinc/81/98/47/1037819847.db2.gz SCLGFQUFHCSLNL-UHFFFAOYSA-N 2 0 310.445 3.530 20 0 DHADRP CCc1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC001201858008 1037906874 /nfs/dbraw/zinc/90/68/74/1037906874.db2.gz WQHRZUXGOYDUEH-UHFFFAOYSA-N 2 0 300.490 3.993 20 0 DHADRP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1F ZINC000775168138 1037914068 /nfs/dbraw/zinc/91/40/68/1037914068.db2.gz MDOMOLRAOFGTHC-UHFFFAOYSA-N 2 0 300.421 3.828 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC001201928922 1037930464 /nfs/dbraw/zinc/93/04/64/1037930464.db2.gz IANZFMAGBAJYBL-QGZVFWFLSA-N 2 0 318.505 3.728 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CCCOc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000125416187 1037937577 /nfs/dbraw/zinc/93/75/77/1037937577.db2.gz QLDGIJNVNOAKIX-LPHOPBHVSA-N 2 0 312.457 3.681 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001201919582 1037939638 /nfs/dbraw/zinc/93/96/38/1037939638.db2.gz GVZMELPTGGMOPW-MSOLQXFVSA-N 2 0 312.542 3.929 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001201919583 1037940656 /nfs/dbraw/zinc/94/06/56/1037940656.db2.gz GVZMELPTGGMOPW-QZTJIDSGSA-N 2 0 312.542 3.929 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000125742402 1037954409 /nfs/dbraw/zinc/95/44/09/1037954409.db2.gz YUOJGBPMYYIPPF-ICSRJNTNSA-N 2 0 300.490 3.718 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000126680881 1038087299 /nfs/dbraw/zinc/08/72/99/1038087299.db2.gz CNXUCYDNSLZLKY-VQIMIIECSA-N 2 0 316.489 3.955 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)C1 ZINC000571537582 1038167262 /nfs/dbraw/zinc/16/72/62/1038167262.db2.gz KTCJNSGZQSWHPO-RTWAWAEBSA-N 2 0 324.468 3.763 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571550694 1038168290 /nfs/dbraw/zinc/16/82/90/1038168290.db2.gz PIVGXDMEGYNNPK-JKSUJKDBSA-N 2 0 321.534 3.983 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000571802368 1038253512 /nfs/dbraw/zinc/25/35/12/1038253512.db2.gz NQZMOSKWWQEJCQ-ZDUSSCGKSA-N 2 0 304.384 3.534 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2CCC2)ccc1OC ZINC000775384513 1038311767 /nfs/dbraw/zinc/31/17/67/1038311767.db2.gz TXYYIHUJMKWQDX-OAHLLOKOSA-N 2 0 304.478 3.988 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CC(C)C2)ccc1OC ZINC000775412726 1038385180 /nfs/dbraw/zinc/38/51/80/1038385180.db2.gz ORQZNOBXHUUMSV-CSLYMUCUSA-N 2 0 304.478 3.986 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001190817658 1038389359 /nfs/dbraw/zinc/38/93/59/1038389359.db2.gz CWGQMYWZMDEDMN-IBGZPJMESA-N 2 0 322.537 3.778 20 0 DHADRP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001191070941 1038430146 /nfs/dbraw/zinc/43/01/46/1038430146.db2.gz QWCCLBGYBFGHLG-QUCCMNQESA-N 2 0 316.489 3.572 20 0 DHADRP Clc1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC001191101218 1038438540 /nfs/dbraw/zinc/43/85/40/1038438540.db2.gz VDPOMPDZIDPMNI-SFHVURJKSA-N 2 0 306.881 3.833 20 0 DHADRP Cc1cccc(C)c1OCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001191256264 1038467569 /nfs/dbraw/zinc/46/75/69/1038467569.db2.gz GZKRKIYXHUXDTP-IBGZPJMESA-N 2 0 318.505 3.879 20 0 DHADRP C[N@H+](CCc1cccc(Cl)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168391041 1038486835 /nfs/dbraw/zinc/48/68/35/1038486835.db2.gz KNYADDJZDNOBOU-UHFFFAOYSA-N 2 0 306.881 3.689 20 0 DHADRP CSC1(C[NH2+]Cc2cc(C)cc(Cl)c2)CC[NH+](C)CC1 ZINC000590191759 1038602329 /nfs/dbraw/zinc/60/23/29/1038602329.db2.gz IEIFFPGXDZFVCE-UHFFFAOYSA-N 2 0 312.910 3.565 20 0 DHADRP Cc1cc(C)nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC001192399721 1038652832 /nfs/dbraw/zinc/65/28/32/1038652832.db2.gz AVOMWKXCYAXKNU-UHFFFAOYSA-N 2 0 315.505 3.786 20 0 DHADRP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603913 1038682538 /nfs/dbraw/zinc/68/25/38/1038682538.db2.gz SOTJTNVRGMCCQG-NEPJUHHUSA-N 2 0 318.358 3.651 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(Br)c1 ZINC001203767218 1038702563 /nfs/dbraw/zinc/70/25/63/1038702563.db2.gz CNUQAWUWJPOOQG-UHFFFAOYSA-N 2 0 313.283 3.613 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cnccc1C ZINC000573248497 1038888387 /nfs/dbraw/zinc/88/83/87/1038888387.db2.gz VVWPWTITGWTCQK-PMACEKPBSA-N 2 0 317.521 3.813 20 0 DHADRP CSC1(C[NH2+][C@@H](c2ccccc2)C2CCC2)CC[NH+](C)CC1 ZINC000603428092 1038971707 /nfs/dbraw/zinc/97/17/07/1038971707.db2.gz JORHPFIXYGGSQG-SFHVURJKSA-N 2 0 318.530 3.945 20 0 DHADRP C[C@@H](c1ccncc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000599208725 1039084981 /nfs/dbraw/zinc/08/49/81/1039084981.db2.gz UOJUDMBPDOPBDY-SFHVURJKSA-N 2 0 323.484 3.987 20 0 DHADRP CC(C)(C)[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000592495864 1039216059 /nfs/dbraw/zinc/21/60/59/1039216059.db2.gz SYWVERFSXQEZGS-SWLSCSKDSA-N 2 0 314.395 3.992 20 0 DHADRP COC1(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000574058331 1039398036 /nfs/dbraw/zinc/39/80/36/1039398036.db2.gz PVXBVGCIOVZSST-SFHVURJKSA-N 2 0 308.510 3.534 20 0 DHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000604415383 1039470651 /nfs/dbraw/zinc/47/06/51/1039470651.db2.gz BWMYBAZLVQAFFQ-UHFFFAOYSA-N 2 0 304.409 3.826 20 0 DHADRP CCSC1(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000595099624 1040064630 /nfs/dbraw/zinc/06/46/30/1040064630.db2.gz MDCAKOCNLHXSOR-OAHLLOKOSA-N 2 0 322.518 3.563 20 0 DHADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1)CC1CC1 ZINC001168424999 1040543608 /nfs/dbraw/zinc/54/36/08/1040543608.db2.gz ZBUZIYFONZKNPE-ACDBMABISA-N 2 0 304.522 3.867 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCSCc2ccccc2)C1 ZINC000534133414 1040727461 /nfs/dbraw/zinc/72/74/61/1040727461.db2.gz GPKGWCHTYPJCNT-LJQANCHMSA-N 2 0 320.546 3.974 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000534347211 1040813341 /nfs/dbraw/zinc/81/33/41/1040813341.db2.gz AZAACRKHXAFDRR-MAUKXSAKSA-N 2 0 304.478 3.955 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001168413313 1041266149 /nfs/dbraw/zinc/26/61/49/1041266149.db2.gz XMXKQXOKSHAMGP-IBGZPJMESA-N 2 0 316.464 3.680 20 0 DHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000092856899 185346804 /nfs/dbraw/zinc/34/68/04/185346804.db2.gz MJECDMYSOVTZMY-HNNXBMFYSA-N 2 0 313.420 3.788 20 0 DHADRP c1ccc(-c2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)nc1 ZINC000093597818 193272241 /nfs/dbraw/zinc/27/22/41/193272241.db2.gz PKSLWBVILZVIQI-LJQANCHMSA-N 2 0 321.468 3.666 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000019986591 182173556 /nfs/dbraw/zinc/17/35/56/182173556.db2.gz KMXGXUOCLSIYNL-GFCCVEGCSA-N 2 0 302.384 3.944 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000272410222 130028052 /nfs/dbraw/zinc/02/80/52/130028052.db2.gz BXJKBCGFISPGBE-UHFFFAOYSA-N 2 0 309.457 3.570 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1C ZINC000272902439 130072829 /nfs/dbraw/zinc/07/28/29/130072829.db2.gz KMRJFAWWFAIOPS-HNNXBMFYSA-N 2 0 304.478 3.917 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000280235764 130791367 /nfs/dbraw/zinc/79/13/67/130791367.db2.gz VPPKJLQZAPBCPS-CHEUSRNYSA-N 2 0 304.453 3.780 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCOC1(C)C ZINC000340186535 131028270 /nfs/dbraw/zinc/02/82/70/131028270.db2.gz SBRUGFZZQZUROQ-LPHOPBHVSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cn[nH]c1 ZINC000283987603 131038391 /nfs/dbraw/zinc/03/83/91/131038391.db2.gz HEUFIVOVGNEDQI-HOTGVXAUSA-N 2 0 312.461 3.635 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cn[nH]c1 ZINC000283987608 131038983 /nfs/dbraw/zinc/03/89/83/131038983.db2.gz HEUFIVOVGNEDQI-HZPDHXFCSA-N 2 0 312.461 3.635 20 0 DHADRP FC(F)(F)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285538036 131178785 /nfs/dbraw/zinc/17/87/85/131178785.db2.gz LHIAVHOHHFJPDX-MRXNPFEDSA-N 2 0 312.379 3.537 20 0 DHADRP Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000285860755 131206188 /nfs/dbraw/zinc/20/61/88/131206188.db2.gz YJYOCQYJMPOGCY-QGZVFWFLSA-N 2 0 309.457 3.837 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000340474093 131850274 /nfs/dbraw/zinc/85/02/74/131850274.db2.gz PDIOSMBZJSCDIP-HNNXBMFYSA-N 2 0 321.534 3.939 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000297301105 132008390 /nfs/dbraw/zinc/00/83/90/132008390.db2.gz ABEFSCPJZSPKAC-ACJLOTCBSA-N 2 0 322.880 3.632 20 0 DHADRP FC1(F)CCCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297341565 132011294 /nfs/dbraw/zinc/01/12/94/132011294.db2.gz FEXNVWPFPGOILO-HNNXBMFYSA-N 2 0 323.431 3.856 20 0 DHADRP CCC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000297439990 132015381 /nfs/dbraw/zinc/01/53/81/132015381.db2.gz WBIKTHMBVOWCGU-YSTOQKLRSA-N 2 0 316.489 3.587 20 0 DHADRP CC[NH+](CC)Cc1cccc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000297618038 132025635 /nfs/dbraw/zinc/02/56/35/132025635.db2.gz GXYHICVPTDUBTE-UHFFFAOYSA-N 2 0 301.478 3.567 20 0 DHADRP Cc1cc2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc2[nH]1 ZINC000298170570 132049068 /nfs/dbraw/zinc/04/90/68/132049068.db2.gz UGMKHCJMQSJONI-UHFFFAOYSA-N 2 0 320.440 3.630 20 0 DHADRP c1ccc([C@H]2CCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298497438 132065478 /nfs/dbraw/zinc/06/54/78/132065478.db2.gz QFUCPNUVYAKBDJ-NHCUHLMSSA-N 2 0 321.468 3.976 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000163952320 132127445 /nfs/dbraw/zinc/12/74/45/132127445.db2.gz MBJXBQRDOHGCJX-QGZVFWFLSA-N 2 0 316.489 3.577 20 0 DHADRP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511855 132159377 /nfs/dbraw/zinc/15/93/77/132159377.db2.gz OWKKNHHNIRPMED-HNNXBMFYSA-N 2 0 311.267 3.571 20 0 DHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000044515409 132160718 /nfs/dbraw/zinc/16/07/18/132160718.db2.gz MIUJEYUYVPCFNV-UHFFFAOYSA-N 2 0 318.408 3.730 20 0 DHADRP COC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000525874095 335087994 /nfs/dbraw/zinc/08/79/94/335087994.db2.gz DIAIQGOYOXAEQA-KZNAEPCWSA-N 2 0 318.505 3.537 20 0 DHADRP COC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000525874096 335087981 /nfs/dbraw/zinc/08/79/81/335087981.db2.gz DIAIQGOYOXAEQA-OKZBNKHCSA-N 2 0 318.505 3.537 20 0 DHADRP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070078 331991375 /nfs/dbraw/zinc/99/13/75/331991375.db2.gz KGHGEVKKKQCKHI-KRWDZBQOSA-N 2 0 310.869 3.621 20 0 DHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000128454526 332012542 /nfs/dbraw/zinc/01/25/42/332012542.db2.gz LJHRXNLAPAGOKO-SWLSCSKDSA-N 2 0 300.393 3.654 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398060 332025343 /nfs/dbraw/zinc/02/53/43/332025343.db2.gz ZDKQYUMKEVKWMP-HUUCEWRRSA-N 2 0 312.379 3.597 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCCCC3)O2)C[C@@H]1C ZINC000409447241 332031445 /nfs/dbraw/zinc/03/14/45/332031445.db2.gz FCXVFTNKGBLDJS-OKZBNKHCSA-N 2 0 308.510 3.673 20 0 DHADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162594698 332941996 /nfs/dbraw/zinc/94/19/96/332941996.db2.gz SADFBZRNYOFYCX-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000092381219 332127664 /nfs/dbraw/zinc/12/76/64/332127664.db2.gz RRTVHIKVSPFWAI-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449433781 332185595 /nfs/dbraw/zinc/18/55/95/332185595.db2.gz NUOMFIXUKAXWNE-YJNKXOJESA-N 2 0 304.400 3.714 20 0 DHADRP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000317786710 332190562 /nfs/dbraw/zinc/19/05/62/332190562.db2.gz AVNCKSAZEIILBO-HKUYNNGSSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000317786713 332190769 /nfs/dbraw/zinc/19/07/69/332190769.db2.gz AVNCKSAZEIILBO-PKOBYXMFSA-N 2 0 300.490 3.719 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000448031543 332247692 /nfs/dbraw/zinc/24/76/92/332247692.db2.gz UWGAMARECDRXEW-FVCZOJIISA-N 2 0 300.490 3.843 20 0 DHADRP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000566230112 332264126 /nfs/dbraw/zinc/26/41/26/332264126.db2.gz IZJZDOPDBHLAOT-CABCVRRESA-N 2 0 316.445 3.596 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000566244892 332276241 /nfs/dbraw/zinc/27/62/41/332276241.db2.gz AWUDYUBUYOOLHC-LBPRGKRZSA-N 2 0 324.346 3.895 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)c2ccccc21 ZINC000559767121 332280385 /nfs/dbraw/zinc/28/03/85/332280385.db2.gz PYGGSYDYQKNCNZ-LSDHHAIUSA-N 2 0 300.421 3.971 20 0 DHADRP C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000559896017 332290767 /nfs/dbraw/zinc/29/07/67/332290767.db2.gz VRGQVPAMHXTRHD-HLIPFELVSA-N 2 0 316.489 3.759 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448058099 332473516 /nfs/dbraw/zinc/47/35/16/332473516.db2.gz JCTKVKTUUVAUKE-UHFFFAOYSA-N 2 0 316.489 3.830 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000562102942 332547403 /nfs/dbraw/zinc/54/74/03/332547403.db2.gz ISZZHQCNAMUIFD-QZTJIDSGSA-N 2 0 318.530 3.740 20 0 DHADRP COCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000178078873 333001573 /nfs/dbraw/zinc/00/15/73/333001573.db2.gz FIWXYVLRZXPIJI-VOBGVNJCSA-N 2 0 316.489 3.587 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000462797431 333114096 /nfs/dbraw/zinc/11/40/96/333114096.db2.gz DGUIUALDJVOHFO-IYWMVGAKSA-N 2 0 322.537 3.826 20 0 DHADRP CCC(O)(CC)C(C)(C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000516663834 333122774 /nfs/dbraw/zinc/12/27/74/333122774.db2.gz BTRMFUQECUKACG-UHFFFAOYSA-N 2 0 324.553 3.950 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000066152297 335123792 /nfs/dbraw/zinc/12/37/92/335123792.db2.gz YPONTQQKLVULMA-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccncc2C)CC1 ZINC000516710265 333134607 /nfs/dbraw/zinc/13/46/07/333134607.db2.gz OXHRHZHAUASHJD-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)CC2 ZINC000181517382 333169883 /nfs/dbraw/zinc/16/98/83/333169883.db2.gz PBXWAHDAVOCZSF-OXJNMPFZSA-N 2 0 316.489 3.640 20 0 DHADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000503869306 333268269 /nfs/dbraw/zinc/26/82/69/333268269.db2.gz DCLCCJFRMKSAIU-HZPDHXFCSA-N 2 0 316.436 3.533 20 0 DHADRP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000390545950 333296729 /nfs/dbraw/zinc/29/67/29/333296729.db2.gz IMVSWEKEJZXWDL-KRWDZBQOSA-N 2 0 322.443 3.719 20 0 DHADRP FC(F)(F)Sc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000020362008 333319669 /nfs/dbraw/zinc/31/96/69/333319669.db2.gz IUQPTOYZIBNBRJ-UHFFFAOYSA-N 2 0 315.364 3.675 20 0 DHADRP CC[N@H+](Cc1cccc2nccn21)[C@H]1CCCc2cccnc21 ZINC000365003468 333334159 /nfs/dbraw/zinc/33/41/59/333334159.db2.gz QRLBJCAGUDKJMA-KRWDZBQOSA-N 2 0 306.413 3.629 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000583470207 333360477 /nfs/dbraw/zinc/36/04/77/333360477.db2.gz AVJQNVGUSJMJCL-HNNXBMFYSA-N 2 0 306.519 3.727 20 0 DHADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000390818304 333396075 /nfs/dbraw/zinc/39/60/75/333396075.db2.gz QMUWBHDBKIBNCC-SFHVURJKSA-N 2 0 318.530 3.774 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@@H]21 ZINC000563139044 333396137 /nfs/dbraw/zinc/39/61/37/333396137.db2.gz XUXHRWWWOJICMA-HYVNUMGLSA-N 2 0 319.518 3.750 20 0 DHADRP CCC(C)(C)C1CCC([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000531610493 333537702 /nfs/dbraw/zinc/53/77/02/333537702.db2.gz WXLLDTONYABOTO-UHFFFAOYSA-N 2 0 324.553 3.806 20 0 DHADRP CCOCC(C)(C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411768052 333705631 /nfs/dbraw/zinc/70/56/31/333705631.db2.gz PZHYFPRGYFGIQC-UHFFFAOYSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000414291366 333934304 /nfs/dbraw/zinc/93/43/04/333934304.db2.gz UEMXCSBPGIDWCC-ZTFGCOKTSA-N 2 0 308.441 3.558 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC000414514700 334003890 /nfs/dbraw/zinc/00/38/90/334003890.db2.gz MDUDDFHYIMJOFB-AOIWGVFYSA-N 2 0 318.505 3.548 20 0 DHADRP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000414653937 334054967 /nfs/dbraw/zinc/05/49/67/334054967.db2.gz FLSZUADUJPXCEK-KXBFYZLASA-N 2 0 310.441 3.531 20 0 DHADRP Cc1ccc(COc2ccc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cc2)cc1 ZINC000414658368 334058669 /nfs/dbraw/zinc/05/86/69/334058669.db2.gz JHLSHOGOAPRHJM-YLJYHZDGSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000572864729 334058930 /nfs/dbraw/zinc/05/89/30/334058930.db2.gz CHNJUTDTAPZKPW-GUDVDZBRSA-N 2 0 300.490 3.735 20 0 DHADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414659206 334059106 /nfs/dbraw/zinc/05/91/06/334059106.db2.gz SIXNWWYQCXDYBA-KGLIPLIRSA-N 2 0 314.395 3.740 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657629 334059495 /nfs/dbraw/zinc/05/94/95/334059495.db2.gz HVYOIIHOHFBGEV-AVRDEDQJSA-N 2 0 322.496 3.757 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000343531780 335175531 /nfs/dbraw/zinc/17/55/31/335175531.db2.gz OGSYIPSOWXKMGI-WOCWXWTJSA-N 2 0 316.489 3.714 20 0 DHADRP CC(C)C[C@@H](C)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414708188 334071838 /nfs/dbraw/zinc/07/18/38/334071838.db2.gz CNRWAFOLNHUJMC-MJGOQNOKSA-N 2 0 303.494 3.708 20 0 DHADRP Cc1ncsc1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000414721975 334074457 /nfs/dbraw/zinc/07/44/57/334074457.db2.gz DFUHBLILYBZFMZ-HOCLYGCPSA-N 2 0 309.523 3.545 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1 ZINC000414728674 334075088 /nfs/dbraw/zinc/07/50/88/334075088.db2.gz COHQRDQPQUWMLM-RTWAWAEBSA-N 2 0 306.453 3.738 20 0 DHADRP C[C@H](C[NH2+]C1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000414730395 334075135 /nfs/dbraw/zinc/07/51/35/334075135.db2.gz DJCGSBVEJYUINV-VCANKDNSSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]1C[C@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414736251 334075698 /nfs/dbraw/zinc/07/56/98/334075698.db2.gz MWZZIUVANSGMHI-HUUCEWRRSA-N 2 0 322.880 3.571 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1C(F)(F)F ZINC000414738921 334077860 /nfs/dbraw/zinc/07/78/60/334077860.db2.gz PMLMGIYMGYYWNA-ZDUSSCGKSA-N 2 0 300.368 3.575 20 0 DHADRP Clc1scc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1Cl ZINC000414777885 334092387 /nfs/dbraw/zinc/09/23/87/334092387.db2.gz IOHUUTSYZOBBDG-QWRGUYRKSA-N 2 0 319.301 3.876 20 0 DHADRP c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778988 334092595 /nfs/dbraw/zinc/09/25/95/334092595.db2.gz JYEXKBKGQNOFCM-LSDHHAIUSA-N 2 0 300.471 3.723 20 0 DHADRP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414782734 334093982 /nfs/dbraw/zinc/09/39/82/334093982.db2.gz OTRFKDDPCKXJRS-HUUCEWRRSA-N 2 0 312.379 3.527 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414792044 334098320 /nfs/dbraw/zinc/09/83/20/334098320.db2.gz BWFLQIMLAPIFCY-BZPMIXESSA-N 2 0 300.899 3.830 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414792048 334098389 /nfs/dbraw/zinc/09/83/89/334098389.db2.gz BWFLQIMLAPIFCY-DYEKYZERSA-N 2 0 300.899 3.830 20 0 DHADRP CCC([NH3+])(CC)C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414802992 334102530 /nfs/dbraw/zinc/10/25/30/334102530.db2.gz CHIVZWHDILOAGL-LBPRGKRZSA-N 2 0 313.283 3.660 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCc2cccc(F)c2)cc1 ZINC000414804926 334103921 /nfs/dbraw/zinc/10/39/21/334103921.db2.gz FOKPJAZHJJMQJL-LSDHHAIUSA-N 2 0 300.421 3.956 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2)cc1 ZINC000414809904 334104849 /nfs/dbraw/zinc/10/48/49/334104849.db2.gz HGTSXHABYRFFDA-LSDHHAIUSA-N 2 0 300.421 3.956 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000414814046 334106055 /nfs/dbraw/zinc/10/60/55/334106055.db2.gz VCRCPRWVRLGKCE-GFCCVEGCSA-N 2 0 324.346 3.895 20 0 DHADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414816014 334106668 /nfs/dbraw/zinc/10/66/68/334106668.db2.gz YWGXLCPUCXVGOC-CSODHUTKSA-N 2 0 323.484 3.631 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414817195 334106921 /nfs/dbraw/zinc/10/69/21/334106921.db2.gz AEUJEAWLLQVTKZ-UMVBOHGHSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414822468 334108349 /nfs/dbraw/zinc/10/83/49/334108349.db2.gz ADPQTZOMGPBZLI-XLIONFOSSA-N 2 0 324.468 3.743 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414831323 334110145 /nfs/dbraw/zinc/11/01/45/334110145.db2.gz CXURKCQRKPWUDV-LRYGQEGESA-N 2 0 316.489 3.701 20 0 DHADRP FC(F)(F)c1cccc(CCCC[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414830439 334110650 /nfs/dbraw/zinc/11/06/50/334110650.db2.gz MAVKBNNAURORRB-OAHLLOKOSA-N 2 0 314.395 3.617 20 0 DHADRP c1ccc(CSCC[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000280744293 334119937 /nfs/dbraw/zinc/11/99/37/334119937.db2.gz BAJSBPXPCNFQAR-UHFFFAOYSA-N 2 0 304.503 3.526 20 0 DHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414852649 334127098 /nfs/dbraw/zinc/12/70/98/334127098.db2.gz KFERXEZAGOBOIG-NWDGAFQWSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414897991 334161273 /nfs/dbraw/zinc/16/12/73/334161273.db2.gz AOLAOURULKYNRI-CZUORRHYSA-N 2 0 314.395 3.788 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414899651 334163133 /nfs/dbraw/zinc/16/31/33/334163133.db2.gz HIFYROISXUYFLK-ZDUSSCGKSA-N 2 0 314.395 3.616 20 0 DHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414920943 334181677 /nfs/dbraw/zinc/18/16/77/334181677.db2.gz ZNESIAQAVXFSPB-KRWDZBQOSA-N 2 0 312.457 3.859 20 0 DHADRP CC1([NH2+]CCCc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000414930408 334194189 /nfs/dbraw/zinc/19/41/89/334194189.db2.gz AUTGZYZWNDTXMT-UHFFFAOYSA-N 2 0 301.261 3.658 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415081495 334271944 /nfs/dbraw/zinc/27/19/44/334271944.db2.gz CFROTXOFUFPNDK-RKVPGOIHSA-N 2 0 302.462 3.583 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000414935896 334197928 /nfs/dbraw/zinc/19/79/28/334197928.db2.gz GHRZMAWZQZCXNN-AUUYWEPGSA-N 2 0 314.404 3.706 20 0 DHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414937955 334200319 /nfs/dbraw/zinc/20/03/19/334200319.db2.gz CYIPDECWECAHQT-LRDDRELGSA-N 2 0 320.383 3.529 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293684544 334200872 /nfs/dbraw/zinc/20/08/72/334200872.db2.gz RQEMBXUKBFKWRB-JFIYKMOQSA-N 2 0 316.489 3.566 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414945070 334205383 /nfs/dbraw/zinc/20/53/83/334205383.db2.gz HUBPHSGVJMQZLA-QAPCUYQASA-N 2 0 310.441 3.592 20 0 DHADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000415083331 334272507 /nfs/dbraw/zinc/27/25/07/334272507.db2.gz PTODDHRXWSZGNH-UXHICEINSA-N 2 0 324.468 3.847 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414951322 334207499 /nfs/dbraw/zinc/20/74/99/334207499.db2.gz PSEVIKLEKHMVCM-NEPJUHHUSA-N 2 0 301.261 3.656 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)s2)cc1 ZINC000414959015 334211119 /nfs/dbraw/zinc/21/11/19/334211119.db2.gz WWHKZSLKTOYEPT-HOCLYGCPSA-N 2 0 300.471 3.954 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414961511 334212740 /nfs/dbraw/zinc/21/27/40/334212740.db2.gz ILWUYSNEIZHHLJ-CZUORRHYSA-N 2 0 314.395 3.758 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414967525 334215013 /nfs/dbraw/zinc/21/50/13/334215013.db2.gz QALAANQNPRQVFM-CHWSQXEVSA-N 2 0 300.899 3.844 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000295056931 334216600 /nfs/dbraw/zinc/21/66/00/334216600.db2.gz PYXYYTBBZMHLFQ-JKHFOPOESA-N 2 0 313.489 3.631 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415082351 334273225 /nfs/dbraw/zinc/27/32/25/334273225.db2.gz OFSWLIIVMKSSAA-WWGRRREGSA-N 2 0 314.395 3.757 20 0 DHADRP c1ccc2c(c1)cccc2OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415082280 334273238 /nfs/dbraw/zinc/27/32/38/334273238.db2.gz DBHBUCSUCJTKST-ZCNNSNEGSA-N 2 0 324.468 3.729 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414979087 334225049 /nfs/dbraw/zinc/22/50/49/334225049.db2.gz USBHXKUQAYVUBW-IBGZPJMESA-N 2 0 324.468 3.984 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000414991218 334230779 /nfs/dbraw/zinc/23/07/79/334230779.db2.gz ATDALXHXHUUMSE-HUUCEWRRSA-N 2 0 321.896 3.547 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414992390 334230923 /nfs/dbraw/zinc/23/09/23/334230923.db2.gz BRDCCROZCRISJW-IEBWSBKVSA-N 2 0 324.468 3.969 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414992402 334230929 /nfs/dbraw/zinc/23/09/29/334230929.db2.gz BRDCCROZCRISJW-PKOBYXMFSA-N 2 0 324.468 3.969 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414994929 334233148 /nfs/dbraw/zinc/23/31/48/334233148.db2.gz FDUBDGZIQGENPS-YGRLFVJLSA-N 2 0 320.786 3.966 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000415003796 334241887 /nfs/dbraw/zinc/24/18/87/334241887.db2.gz XLAIMYWFGFIUPL-ZZYOJWSASA-N 2 0 302.437 3.567 20 0 DHADRP C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])c1cccc(Br)c1 ZINC000415010763 334257203 /nfs/dbraw/zinc/25/72/03/334257203.db2.gz GSAPGGOJJQRPIU-STQMWFEESA-N 2 0 313.283 3.660 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000415017661 334258924 /nfs/dbraw/zinc/25/89/24/334258924.db2.gz FQPWRCXXRQYMAE-WIYYLYMNSA-N 2 0 310.485 3.948 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000415018618 334259019 /nfs/dbraw/zinc/25/90/19/334259019.db2.gz HFMFIHJRVUSBLD-SFHVURJKSA-N 2 0 310.485 3.805 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccc1Oc1cccnc1 ZINC000415019042 334259106 /nfs/dbraw/zinc/25/91/06/334259106.db2.gz VKOOTBATZLBXHZ-MRXNPFEDSA-N 2 0 313.445 3.789 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccccc1 ZINC000415051967 334259115 /nfs/dbraw/zinc/25/91/15/334259115.db2.gz KGVAHMZLOBYFDL-QGZVFWFLSA-N 2 0 308.347 3.674 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000415017939 334259140 /nfs/dbraw/zinc/25/91/40/334259140.db2.gz STKLZEVJMQFYTF-ZDUSSCGKSA-N 2 0 310.869 3.736 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000415022600 334259689 /nfs/dbraw/zinc/25/96/89/334259689.db2.gz JCSYNTQSMANKCJ-SHTZXODSSA-N 2 0 315.486 3.665 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000415026227 334259924 /nfs/dbraw/zinc/25/99/24/334259924.db2.gz SXQDSJWPYOYQDY-OAHLLOKOSA-N 2 0 316.420 3.622 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415027815 334260065 /nfs/dbraw/zinc/26/00/65/334260065.db2.gz BRPKRSQUAOCQQT-XNRPHZJLSA-N 2 0 314.395 3.744 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000415028057 334260118 /nfs/dbraw/zinc/26/01/18/334260118.db2.gz BYUVNBFNMBCUMV-WFASDCNBSA-N 2 0 304.434 3.771 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415032827 334260263 /nfs/dbraw/zinc/26/02/63/334260263.db2.gz IKFOZFAWAGNQFV-CABZTGNLSA-N 2 0 306.759 3.576 20 0 DHADRP Cc1nc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2s1 ZINC000415032443 334260349 /nfs/dbraw/zinc/26/03/49/334260349.db2.gz AMPBYUWAGQPJOU-WBVHZDCISA-N 2 0 315.486 3.569 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000415044447 334261196 /nfs/dbraw/zinc/26/11/96/334261196.db2.gz SPTQJTAWAGGNBH-BHIFYINESA-N 2 0 322.496 3.948 20 0 DHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000415045826 334261304 /nfs/dbraw/zinc/26/13/04/334261304.db2.gz UKHXUVVSWDGIMH-VXGBXAGGSA-N 2 0 301.261 3.643 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1 ZINC000415047709 334261453 /nfs/dbraw/zinc/26/14/53/334261453.db2.gz FNHDBADZUKOXLQ-QGZVFWFLSA-N 2 0 315.486 3.980 20 0 DHADRP COc1ccccc1C[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415055371 334261713 /nfs/dbraw/zinc/26/17/13/334261713.db2.gz OOZDSDATWACZRO-LPHOPBHVSA-N 2 0 312.457 3.696 20 0 DHADRP C[C@@H](CCC1CCCCC1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058167 334261908 /nfs/dbraw/zinc/26/19/08/334261908.db2.gz SWJCXEAXHJNRMN-KKXNLOMOSA-N 2 0 321.553 3.541 20 0 DHADRP CC(C)COc1ccc(C(C)(C)C[NH2+]C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000415077282 334268480 /nfs/dbraw/zinc/26/84/80/334268480.db2.gz HFRNPTVXLVPXCE-FQEVSTJZSA-N 2 0 318.505 3.588 20 0 DHADRP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000415080096 334269778 /nfs/dbraw/zinc/26/97/78/334269778.db2.gz KZZCNWLAUPAMCG-SNVBAGLBSA-N 2 0 309.866 3.771 20 0 DHADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415088908 334279674 /nfs/dbraw/zinc/27/96/74/334279674.db2.gz YESCDCLDNNSMQO-QRVBRYPASA-N 2 0 316.489 3.583 20 0 DHADRP c1ccc(COCc2cccc(C[NH2+][C@H]3CCC[NH2+]CC3)c2)cc1 ZINC000415090860 334279948 /nfs/dbraw/zinc/27/99/48/334279948.db2.gz PLNYIWYOQPSUKE-NRFANRHFSA-N 2 0 324.468 3.635 20 0 DHADRP C[NH2+]CCCN(C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000415135054 334284449 /nfs/dbraw/zinc/28/44/49/334284449.db2.gz PLKJXFLBXGXPLN-UHFFFAOYSA-N 2 0 315.442 3.598 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000415121723 334284464 /nfs/dbraw/zinc/28/44/64/334284464.db2.gz ZJLVZPIJCHMYQZ-GJZGRUSLSA-N 2 0 309.523 3.709 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000531932740 334297226 /nfs/dbraw/zinc/29/72/26/334297226.db2.gz RZBNZDYSHRHZJZ-PXNSSMCTSA-N 2 0 300.490 3.862 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)C1CCOCC1 ZINC000531939838 334298974 /nfs/dbraw/zinc/29/89/74/334298974.db2.gz JBTYZASRRWJOPL-HXUWFJFHSA-N 2 0 318.505 3.822 20 0 DHADRP CCC(CC)[C@@H](C[NH2+][C@H](CC)C1CCOCC1)[NH+]1CCCC1 ZINC000531946532 334304571 /nfs/dbraw/zinc/30/45/71/334304571.db2.gz GCTNPHHWTTZIMF-RTBURBONSA-N 2 0 310.526 3.682 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2c1C ZINC000531956232 334307774 /nfs/dbraw/zinc/30/77/74/334307774.db2.gz LWERLFLQGNQSER-UHFFFAOYSA-N 2 0 311.473 3.749 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534660085 334315763 /nfs/dbraw/zinc/31/57/63/334315763.db2.gz RQNHUXBABIAOIX-FUHWJXTLSA-N 2 0 322.880 3.668 20 0 DHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000342791996 334571707 /nfs/dbraw/zinc/57/17/07/334571707.db2.gz GBGNYWSDBYMHEJ-PKOBYXMFSA-N 2 0 322.493 3.766 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000468382888 334914699 /nfs/dbraw/zinc/91/46/99/334914699.db2.gz LFVACQJBQGEVQL-KRWDZBQOSA-N 2 0 300.490 3.923 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000344089561 335216968 /nfs/dbraw/zinc/21/69/68/335216968.db2.gz DCHZEEKTDXZLDW-RTBURBONSA-N 2 0 316.489 3.576 20 0 DHADRP COC1CCC(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000344607722 335263511 /nfs/dbraw/zinc/26/35/11/335263511.db2.gz XBQDZWDZEGTWHB-PYXOFJJQSA-N 2 0 316.489 3.617 20 0 DHADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000344966599 335288425 /nfs/dbraw/zinc/28/84/25/335288425.db2.gz JUAXSMKAIDNEQS-ZWKOTPCHSA-N 2 0 304.503 3.656 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345146585 335301412 /nfs/dbraw/zinc/30/14/12/335301412.db2.gz BHPZXNWGAJDTHA-KSZLIROESA-N 2 0 318.505 3.679 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000346129852 335379326 /nfs/dbraw/zinc/37/93/26/335379326.db2.gz IBPOGWSVDLQEIR-CQSZACIVSA-N 2 0 312.442 3.830 20 0 DHADRP CC[C@@H](C)[C@H](C)[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000346145462 335381101 /nfs/dbraw/zinc/38/11/01/335381101.db2.gz SFJQGNDTMUNEJA-ZBFHGGJFSA-N 2 0 312.461 3.975 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000518836491 335392184 /nfs/dbraw/zinc/39/21/84/335392184.db2.gz CRTSAKICSKSBEB-UHFFFAOYSA-N 2 0 322.443 3.922 20 0 DHADRP CC(C)[N@H+](CCn1ccnc1)Cc1cccc(C(F)(F)F)c1 ZINC000346305404 335398361 /nfs/dbraw/zinc/39/83/61/335398361.db2.gz HZWGVFDMMGGIKW-UHFFFAOYSA-N 2 0 311.351 3.813 20 0 DHADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CCC[NH+]3CCCCC3)C2)c1 ZINC000367044738 335598428 /nfs/dbraw/zinc/59/84/28/335598428.db2.gz XRWVREPSSLGLRZ-IEBWSBKVSA-N 2 0 301.478 3.573 20 0 DHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)ccc1SC ZINC000519651662 335885504 /nfs/dbraw/zinc/88/55/04/335885504.db2.gz DRUBOACEOFSTDE-CYBMUJFWSA-N 2 0 316.470 3.727 20 0 DHADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684113 336058105 /nfs/dbraw/zinc/05/81/05/336058105.db2.gz FIYXMRJFRFNKIX-QGZVFWFLSA-N 2 0 319.493 3.565 20 0 DHADRP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000351731282 336063147 /nfs/dbraw/zinc/06/31/47/336063147.db2.gz UUZYIQGYMCXPCW-QGZVFWFLSA-N 2 0 302.805 3.697 20 0 DHADRP CC1(C)CC(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000526107869 336125929 /nfs/dbraw/zinc/12/59/29/336125929.db2.gz HURMHXHZOUJAOY-UHFFFAOYSA-N 2 0 318.480 3.858 20 0 DHADRP Cn1c2ccc(NC3CCC([NH3+])CC3)cc2nc1C(C)(C)C ZINC000332584251 336175081 /nfs/dbraw/zinc/17/50/81/336175081.db2.gz KGYFWNOSEJQQAS-UHFFFAOYSA-N 2 0 300.450 3.553 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCOc2ccccc2)C[C@@H]1C ZINC000526123918 336220381 /nfs/dbraw/zinc/22/03/81/336220381.db2.gz HJWIPGMQUBJOJF-ROUUACIJSA-N 2 0 304.478 3.650 20 0 DHADRP C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000395649861 336221052 /nfs/dbraw/zinc/22/10/52/336221052.db2.gz JTXKAFLVYOZVHG-AWEZNQCLSA-N 2 0 304.384 3.747 20 0 DHADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1C ZINC000352495754 336221970 /nfs/dbraw/zinc/22/19/70/336221970.db2.gz OKXKNJLCKXRQAG-QGZVFWFLSA-N 2 0 302.462 3.518 20 0 DHADRP C[C@@H]1C[C@H](Nc2ccnc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301559337 336314926 /nfs/dbraw/zinc/31/49/26/336314926.db2.gz UDCHXCHGPIDMNT-CRAIPNDOSA-N 2 0 322.456 3.819 20 0 DHADRP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000301602761 336317692 /nfs/dbraw/zinc/31/76/92/336317692.db2.gz KNTUFOWVGFZHFA-AWEZNQCLSA-N 2 0 301.409 3.764 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CCN(c2cc(CC)[nH+]c3ccccc32)C1 ZINC000301801083 336331076 /nfs/dbraw/zinc/33/10/76/336331076.db2.gz SHZXSANOJAAJRH-INIZCTEOSA-N 2 0 311.473 3.965 20 0 DHADRP CCC[N@@H+]1CC[C@@H](CNc2cc(C)nc3c(OC)cccc23)C1 ZINC000301976340 336340904 /nfs/dbraw/zinc/34/09/04/336340904.db2.gz DQORRBFWEIDRHC-HNNXBMFYSA-N 2 0 313.445 3.696 20 0 DHADRP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000302552117 336361469 /nfs/dbraw/zinc/36/14/69/336361469.db2.gz IRTGRJCWZROSNA-TZIWHRDSSA-N 2 0 321.468 3.881 20 0 DHADRP Cc1cccc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000302800183 336369768 /nfs/dbraw/zinc/36/97/68/336369768.db2.gz BWUSDLDXOVMLSG-NVXWUHKLSA-N 2 0 303.356 3.526 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000582241116 336391106 /nfs/dbraw/zinc/39/11/06/336391106.db2.gz CGKDCVRDSITNHO-GFCCVEGCSA-N 2 0 318.408 3.588 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000110643966 336396999 /nfs/dbraw/zinc/39/69/99/336396999.db2.gz RBTZYYQXDSCEOX-NEPJUHHUSA-N 2 0 311.267 3.569 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cc(C)sc2C)CC[NH+](C)CC1 ZINC000353610451 336428545 /nfs/dbraw/zinc/42/85/45/336428545.db2.gz MSEHOFYBQDFLAO-ZDUSSCGKSA-N 2 0 312.548 3.843 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000356837226 336562659 /nfs/dbraw/zinc/56/26/59/336562659.db2.gz ICJRASVCBVKPOX-INIZCTEOSA-N 2 0 322.880 3.875 20 0 DHADRP C[C@H](CC1CC1)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358023669 336607020 /nfs/dbraw/zinc/60/70/20/336607020.db2.gz QEMMAYJSUCJUJU-IKGGRYGDSA-N 2 0 316.489 3.574 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000359887553 336691426 /nfs/dbraw/zinc/69/14/26/336691426.db2.gz WOBOXYSWWVXVQD-QGZVFWFLSA-N 2 0 303.494 3.977 20 0 DHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C1CCCCC1)c1ccccc1O2 ZINC000360254112 336706491 /nfs/dbraw/zinc/70/64/91/336706491.db2.gz MQOXYTWIOLKJLW-GOSISDBHSA-N 2 0 314.473 3.897 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000375589227 337013972 /nfs/dbraw/zinc/01/39/72/337013972.db2.gz AAMXGKLQTYNFBS-VQIMIIECSA-N 2 0 315.505 3.960 20 0 DHADRP C[NH+](C)CCCC1CCN(c2cc[nH+]cc2-c2cccnc2)CC1 ZINC000376456339 337033795 /nfs/dbraw/zinc/03/37/95/337033795.db2.gz URIRZLNAMQTLJV-UHFFFAOYSA-N 2 0 324.472 3.702 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3occc32)[C@H]1c1ccccc1 ZINC000377356748 337050998 /nfs/dbraw/zinc/05/09/98/337050998.db2.gz CPOJXEAFWUOJQV-IMFGXOCKSA-N 2 0 310.441 3.940 20 0 DHADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3occc32)[C@@H]1c1ccccc1 ZINC000377356750 337051021 /nfs/dbraw/zinc/05/10/21/337051021.db2.gz CPOJXEAFWUOJQV-KPFFTGBYSA-N 2 0 310.441 3.940 20 0 DHADRP CC[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000377535346 337054462 /nfs/dbraw/zinc/05/44/62/337054462.db2.gz GAHSUNRBYSYAMX-LJQANCHMSA-N 2 0 323.569 3.597 20 0 DHADRP C[N@H+](C/C=C/c1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377691531 337058495 /nfs/dbraw/zinc/05/84/95/337058495.db2.gz AVCYUDDQIYRARC-VMPITWQZSA-N 2 0 307.441 3.696 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]CCn2ccnc2)cc1 ZINC000378478797 337073872 /nfs/dbraw/zinc/07/38/72/337073872.db2.gz VTMQMFLNFQFJNZ-HZPDHXFCSA-N 2 0 323.362 3.828 20 0 DHADRP C=Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000194211102 337082767 /nfs/dbraw/zinc/08/27/67/337082767.db2.gz PQIPGZWRSQWSBL-QGZVFWFLSA-N 2 0 324.472 3.505 20 0 DHADRP Cc1nc2ccc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2s1 ZINC000582546158 337103259 /nfs/dbraw/zinc/10/32/59/337103259.db2.gz CUDTYRWGXUFKCS-NVXWUHKLSA-N 2 0 315.486 3.711 20 0 DHADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000178139556 337162623 /nfs/dbraw/zinc/16/26/23/337162623.db2.gz VAMHLUGAUJTIBZ-KRWDZBQOSA-N 2 0 321.509 3.515 20 0 DHADRP Fc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(F)c1F ZINC000180784295 337177863 /nfs/dbraw/zinc/17/78/63/337177863.db2.gz BZPBCQMKOXGDLV-CXAGYDPISA-N 2 0 324.390 3.553 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182062091 337186120 /nfs/dbraw/zinc/18/61/20/337186120.db2.gz RSNWNFBTPILMJH-GOSISDBHSA-N 2 0 320.452 3.751 20 0 DHADRP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000184731395 337199172 /nfs/dbraw/zinc/19/91/72/337199172.db2.gz OOJXLSSEFWDPQD-MRXNPFEDSA-N 2 0 323.440 3.929 20 0 DHADRP CC(C)CCn1cccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000582872789 337209392 /nfs/dbraw/zinc/20/93/92/337209392.db2.gz IUZZPAZWCAEVMW-LJQANCHMSA-N 2 0 317.521 3.698 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CCSCC2)c1 ZINC000187164391 337263465 /nfs/dbraw/zinc/26/34/65/337263465.db2.gz ULHFBYLDLJAEQD-OAHLLOKOSA-N 2 0 306.519 3.760 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1F ZINC000398005945 337303575 /nfs/dbraw/zinc/30/35/75/337303575.db2.gz GWMZGKJMBSAUBY-JXFKEZNVSA-N 2 0 312.432 3.826 20 0 DHADRP CCC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000583906875 337384057 /nfs/dbraw/zinc/38/40/57/337384057.db2.gz JWQWIOOPPONVGJ-IBGZPJMESA-N 2 0 304.478 3.858 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000520792570 337390871 /nfs/dbraw/zinc/39/08/71/337390871.db2.gz ALVGEHYLJBXQNJ-BFUOFWGJSA-N 2 0 313.420 3.716 20 0 DHADRP COc1ccc([C@H](CNc2cc[nH+]cc2C)[NH+]2CCCC2)cc1 ZINC000195332754 337467669 /nfs/dbraw/zinc/46/76/69/337467669.db2.gz VIYWSURTHIEXFK-IBGZPJMESA-N 2 0 311.429 3.648 20 0 DHADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420387459 337500519 /nfs/dbraw/zinc/50/05/19/337500519.db2.gz VWGZZNYMRKJCNG-FSPWUOQZSA-N 2 0 322.880 3.619 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000420418567 337500919 /nfs/dbraw/zinc/50/09/19/337500919.db2.gz WXFLMGLFGHZCCT-GPMSIDNRSA-N 2 0 312.457 3.519 20 0 DHADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247934397 337561766 /nfs/dbraw/zinc/56/17/66/337561766.db2.gz CIMQDZYADWKEJF-LFGUQSLTSA-N 2 0 322.537 3.538 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C2CC2)cc1 ZINC000421873746 337657727 /nfs/dbraw/zinc/65/77/27/337657727.db2.gz ICZHHJKTJRRHOT-MHJFOBGBSA-N 2 0 300.490 3.779 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421878700 337658325 /nfs/dbraw/zinc/65/83/25/337658325.db2.gz NTKGCCQVGUBIKL-JFIBYHEFSA-N 2 0 316.489 3.880 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422717430 337683876 /nfs/dbraw/zinc/68/38/76/337683876.db2.gz OLZHRTKVXUIRGW-RTBURBONSA-N 3 0 309.542 3.543 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422720785 337684103 /nfs/dbraw/zinc/68/41/03/337684103.db2.gz MWDBGMDNCGIBQO-BBRMVZONSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422754317 337685005 /nfs/dbraw/zinc/68/50/05/337685005.db2.gz GVKAESATSHEBNH-PBEJRMEISA-N 2 0 322.452 3.636 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422754595 337685306 /nfs/dbraw/zinc/68/53/06/337685306.db2.gz FBHTZHMSEBHPON-WMLDXEAASA-N 2 0 300.471 3.538 20 0 DHADRP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)s1 ZINC000422761763 337685362 /nfs/dbraw/zinc/68/53/62/337685362.db2.gz MEZGZOQXGGARNX-DGCLKSJQSA-N 2 0 303.475 3.500 20 0 DHADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422742600 337686680 /nfs/dbraw/zinc/68/66/80/337686680.db2.gz RWMNMFVWLXQGHH-CEXWTWQISA-N 2 0 316.489 3.732 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000422801071 337687297 /nfs/dbraw/zinc/68/72/97/337687297.db2.gz BCGZXHSZBJQMFP-SCRDCRAPSA-N 2 0 316.367 3.624 20 0 DHADRP [NH3+][C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000422825200 337688222 /nfs/dbraw/zinc/68/82/22/337688222.db2.gz PGPQRHXUJXSHNP-UXHICEINSA-N 2 0 313.489 3.518 20 0 DHADRP Cc1cc(Br)cc(C)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422825189 337688260 /nfs/dbraw/zinc/68/82/60/337688260.db2.gz PEIOURSLTHWXFA-ZDUSSCGKSA-N 2 0 313.283 3.673 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)c[nH]c2c1 ZINC000422840640 337688677 /nfs/dbraw/zinc/68/86/77/337688677.db2.gz BWGLXHBXLLKSJR-AWEZNQCLSA-N 2 0 322.456 3.532 20 0 DHADRP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422857297 337689132 /nfs/dbraw/zinc/68/91/32/337689132.db2.gz GSFLJMYLBRRNBN-AEFFLSMTSA-N 2 0 304.478 3.904 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422859892 337689159 /nfs/dbraw/zinc/68/91/59/337689159.db2.gz LHSOWZDLRSYCCZ-CGTJXYLNSA-N 2 0 320.452 3.625 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422889479 337690292 /nfs/dbraw/zinc/69/02/92/337690292.db2.gz GDYQFGCBIZPMML-UWJYYQICSA-N 2 0 324.468 3.743 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCCOc2ccc3ccccc3c2)CC1 ZINC000422892683 337690406 /nfs/dbraw/zinc/69/04/06/337690406.db2.gz ZFWKZCTYMCFYMG-UHFFFAOYSA-N 2 0 312.457 3.716 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2nc3cc(Cl)ccc3s2)CC1 ZINC000422906035 337690663 /nfs/dbraw/zinc/69/06/63/337690663.db2.gz TZKZPUCOXCMRRQ-UHFFFAOYSA-N 2 0 309.866 3.557 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422910729 337691022 /nfs/dbraw/zinc/69/10/22/337691022.db2.gz RPDUXKGLDFPKOE-YOEHRIQHSA-N 2 0 306.881 3.739 20 0 DHADRP Cc1csc(CCCC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000422911878 337691137 /nfs/dbraw/zinc/69/11/37/337691137.db2.gz UQFXTYBMAXCURQ-GOEBONIOSA-N 2 0 309.523 3.675 20 0 DHADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1Cl ZINC000422920961 337691423 /nfs/dbraw/zinc/69/14/23/337691423.db2.gz ODJDIVXZVMUSFS-FUNVUKJBSA-N 2 0 310.844 3.629 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000422933450 337692277 /nfs/dbraw/zinc/69/22/77/337692277.db2.gz DLJROUKLJJJOKG-USXIJHARSA-N 2 0 322.880 3.749 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932637 337692306 /nfs/dbraw/zinc/69/23/06/337692306.db2.gz GEIQSDYCOSDYSS-RHSMWYFYSA-N 2 0 310.869 3.606 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000422948285 337694174 /nfs/dbraw/zinc/69/41/74/337694174.db2.gz RPKDYRIUMVZLKE-CYBMUJFWSA-N 2 0 317.864 3.786 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000422952463 337694657 /nfs/dbraw/zinc/69/46/57/337694657.db2.gz CLTDWROSKVPROI-VQCLRJIVSA-N 2 0 315.486 3.978 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422955842 337694837 /nfs/dbraw/zinc/69/48/37/337694837.db2.gz NTAYDFBFABSONU-XGQUHGFPSA-N 2 0 311.256 3.853 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(C(C)C)cc21 ZINC000423020377 337695837 /nfs/dbraw/zinc/69/58/37/337695837.db2.gz BDHCMHXHJUZKHZ-HKUYNNGSSA-N 2 0 304.478 3.531 20 0 DHADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423026068 337696225 /nfs/dbraw/zinc/69/62/25/337696225.db2.gz MXXJGFYMWDQKPL-XUVXKRRUSA-N 2 0 315.505 3.779 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423054834 337697311 /nfs/dbraw/zinc/69/73/11/337697311.db2.gz VGGONUVGQFSNPW-QRVBRYPASA-N 2 0 312.457 3.794 20 0 DHADRP COCCC[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423108014 337699952 /nfs/dbraw/zinc/69/99/52/337699952.db2.gz QLOIDINTFKSPDD-QILLFSRXSA-N 2 0 324.896 3.580 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423112647 337700145 /nfs/dbraw/zinc/70/01/45/337700145.db2.gz SMJYBTLKIMMWEA-KZNAEPCWSA-N 2 0 304.503 3.560 20 0 DHADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423137058 337701244 /nfs/dbraw/zinc/70/12/44/337701244.db2.gz WAOKMVJWVNAPDC-CAOSSQGBSA-N 2 0 300.437 3.712 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)CC2)c(C)c1 ZINC000423142323 337701388 /nfs/dbraw/zinc/70/13/88/337701388.db2.gz AADDOJOQGLBKTJ-INIZCTEOSA-N 2 0 323.484 3.848 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000423145773 337701644 /nfs/dbraw/zinc/70/16/44/337701644.db2.gz MJXSNRDCTSUDQM-LBPRGKRZSA-N 2 0 316.367 3.681 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423164871 337702127 /nfs/dbraw/zinc/70/21/27/337702127.db2.gz AMYUQFLGSZFBRP-GYRMQKGHSA-N 2 0 322.855 3.845 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423164880 337702167 /nfs/dbraw/zinc/70/21/67/337702167.db2.gz AMYUQFLGSZFBRP-IUNOTWKLSA-N 2 0 322.855 3.845 20 0 DHADRP C[NH2+]CCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423209126 337704256 /nfs/dbraw/zinc/70/42/56/337704256.db2.gz ZQKYDVKCTPMVIY-NSHDSACASA-N 2 0 307.438 3.518 20 0 DHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423212389 337704417 /nfs/dbraw/zinc/70/44/17/337704417.db2.gz LRMJTPZDNYWTQT-MAUKXSAKSA-N 2 0 302.462 3.613 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423219089 337705025 /nfs/dbraw/zinc/70/50/25/337705025.db2.gz WBLXDEPKUMJSEN-APWZRJJASA-N 2 0 304.478 3.762 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220011 337705233 /nfs/dbraw/zinc/70/52/33/337705233.db2.gz XQJRVNYJNKDMDU-ZFWWWQNUSA-N 2 0 312.910 3.800 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423220067 337705339 /nfs/dbraw/zinc/70/53/39/337705339.db2.gz XVKNVLYUKJFIIO-YAUKXXINSA-N 2 0 316.489 3.552 20 0 DHADRP Fc1ccccc1C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423244520 337706880 /nfs/dbraw/zinc/70/68/80/337706880.db2.gz HOXHUWKIAVITLR-OXJNMPFZSA-N 2 0 312.432 3.699 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423261870 337708021 /nfs/dbraw/zinc/70/80/21/337708021.db2.gz SZEFMIZZINNXRF-SJORKVTESA-N 2 0 304.478 3.762 20 0 DHADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423261380 337708070 /nfs/dbraw/zinc/70/80/70/337708070.db2.gz SBOZSZRQWNERAV-OXJNMPFZSA-N 2 0 312.432 3.894 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423265644 337708238 /nfs/dbraw/zinc/70/82/38/337708238.db2.gz CNWJXMMQMWGNLJ-IRXDYDNUSA-N 2 0 312.457 3.772 20 0 DHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423294592 337710632 /nfs/dbraw/zinc/71/06/32/337710632.db2.gz UXIYBTGSVGCAPK-SJCJKPOMSA-N 2 0 314.404 3.631 20 0 DHADRP [NH3+]CCCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423327312 337712146 /nfs/dbraw/zinc/71/21/46/337712146.db2.gz MTZLOUTUZFBQQP-KRWDZBQOSA-N 2 0 306.812 3.897 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2cccc(Br)c21 ZINC000423329864 337712275 /nfs/dbraw/zinc/71/22/75/337712275.db2.gz BOIMQYYGOPRICY-NHYWBVRUSA-N 2 0 321.262 3.507 20 0 DHADRP CC1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000423337834 337712665 /nfs/dbraw/zinc/71/26/65/337712665.db2.gz UETNAOAAHVCNIQ-OAHLLOKOSA-N 2 0 308.853 3.533 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423337348 337712715 /nfs/dbraw/zinc/71/27/15/337712715.db2.gz VIADODYNSXMXSJ-KRWDZBQOSA-N 2 0 320.383 3.706 20 0 DHADRP Clc1ccc([C@H]2CCC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423338039 337712800 /nfs/dbraw/zinc/71/28/00/337712800.db2.gz AQLRWCJZXXVUKG-FUHWJXTLSA-N 2 0 304.865 3.876 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423340277 337712880 /nfs/dbraw/zinc/71/28/80/337712880.db2.gz VVIIOEFZALCWCZ-ZDUSSCGKSA-N 2 0 312.404 3.637 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1Cl ZINC000423342189 337713025 /nfs/dbraw/zinc/71/30/25/337713025.db2.gz CZUJJGVRPIDXRH-ZDUSSCGKSA-N 2 0 308.853 3.698 20 0 DHADRP CCCCCOc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423344397 337713195 /nfs/dbraw/zinc/71/31/95/337713195.db2.gz MTJISPWBGURIBL-INIZCTEOSA-N 2 0 302.462 3.826 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423348504 337713263 /nfs/dbraw/zinc/71/32/63/337713263.db2.gz UCGKLZDRYZZMOC-GWCFXTLKSA-N 2 0 317.296 3.551 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]CC2=CC[NH2+]CC2)ccc1Cl ZINC000423355527 337713952 /nfs/dbraw/zinc/71/39/52/337713952.db2.gz PEMHAYZKLXRTIA-HNNXBMFYSA-N 2 0 322.880 3.705 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423369057 337715130 /nfs/dbraw/zinc/71/51/30/337715130.db2.gz DTAYJDKVLXXYJN-LZWOXQAQSA-N 2 0 308.853 3.722 20 0 DHADRP CCc1ccc([C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C(C)C)cc1 ZINC000423404101 337715930 /nfs/dbraw/zinc/71/59/30/337715930.db2.gz ILPWCYKGKFBHAF-IBGZPJMESA-N 2 0 318.505 3.552 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000423407355 337716088 /nfs/dbraw/zinc/71/60/88/337716088.db2.gz ZYUWSPDFPDQWRR-JTDSTZFVSA-N 2 0 302.462 3.786 20 0 DHADRP CCCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000423408030 337716158 /nfs/dbraw/zinc/71/61/58/337716158.db2.gz NXXMWJJGPVCGCT-SFHVURJKSA-N 2 0 304.478 3.524 20 0 DHADRP COCC1(C[NH2+][C@H](C)c2ccccc2C(C)(C)C)CC[NH2+]CC1 ZINC000423411259 337716225 /nfs/dbraw/zinc/71/62/25/337716225.db2.gz UEIURGIDPYTBEY-MRXNPFEDSA-N 2 0 318.505 3.651 20 0 DHADRP COCC1(C[NH2+][C@H](CC2CCC2)c2ccccc2)CC[NH2+]CC1 ZINC000423412508 337716264 /nfs/dbraw/zinc/71/62/64/337716264.db2.gz WXOPGIRJMONSKI-LJQANCHMSA-N 2 0 316.489 3.524 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)oc21 ZINC000423374973 337717383 /nfs/dbraw/zinc/71/73/83/337717383.db2.gz ILTLSGIECQVHCP-NWANDNLSSA-N 2 0 302.418 3.752 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000423382848 337717599 /nfs/dbraw/zinc/71/75/99/337717599.db2.gz OSZCVBNHOIJISC-AETAKHFUSA-N 2 0 306.881 3.781 20 0 DHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000423387424 337717993 /nfs/dbraw/zinc/71/79/93/337717993.db2.gz MRLFZUCXZKCJBY-CVYDXHPNSA-N 2 0 320.452 3.720 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cnc2ccsc2c1 ZINC000423432492 337718912 /nfs/dbraw/zinc/71/89/12/337718912.db2.gz WFWYQQGPAGLGOJ-IHRRRGAJSA-N 2 0 303.475 3.712 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423451115 337720040 /nfs/dbraw/zinc/72/00/40/337720040.db2.gz XVAVYCKIQUPUAD-USXIJHARSA-N 2 0 320.864 3.531 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423455921 337720455 /nfs/dbraw/zinc/72/04/55/337720455.db2.gz GDKGFAHRYASJNC-XYJFISCASA-N 2 0 304.478 3.890 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000423462844 337720623 /nfs/dbraw/zinc/72/06/23/337720623.db2.gz PPCVODRYKVKLEW-XQQFMLRXSA-N 2 0 316.367 3.753 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423474480 337721431 /nfs/dbraw/zinc/72/14/31/337721431.db2.gz HKVNRPZILDSWTH-AAEUAGOBSA-N 2 0 316.367 3.610 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423474495 337721452 /nfs/dbraw/zinc/72/14/52/337721452.db2.gz HKVNRPZILDSWTH-YPMHNXCESA-N 2 0 316.367 3.610 20 0 DHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000423482471 337722031 /nfs/dbraw/zinc/72/20/31/337722031.db2.gz PDDSSBINWZHWKW-OLZOCXBDSA-N 2 0 316.367 3.768 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]CCC[C@H]3CCC[NH2+]3)oc21 ZINC000423487586 337722281 /nfs/dbraw/zinc/72/22/81/337722281.db2.gz UKTZDHOUWHXVRI-ZFWWWQNUSA-N 2 0 302.418 3.624 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423491600 337722695 /nfs/dbraw/zinc/72/26/95/337722695.db2.gz JWYRSYWOWSCCHF-BJJXKVORSA-N 2 0 315.486 3.897 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423480993 337724763 /nfs/dbraw/zinc/72/47/63/337724763.db2.gz WLPWKCFCJHKBAH-IPYPFGDCSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423481000 337724827 /nfs/dbraw/zinc/72/48/27/337724827.db2.gz WLPWKCFCJHKBAH-VNHYZAJKSA-N 2 0 314.395 3.744 20 0 DHADRP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539762 337725146 /nfs/dbraw/zinc/72/51/46/337725146.db2.gz ISMRROQNSIQXAB-MMQJMDILSA-N 2 0 304.865 3.695 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc2ccccc2s1 ZINC000423541003 337725198 /nfs/dbraw/zinc/72/51/98/337725198.db2.gz KJYKRTAFWRUWQR-ARLBYUKCSA-N 2 0 300.471 3.940 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1OC(F)F ZINC000423543118 337725212 /nfs/dbraw/zinc/72/52/12/337725212.db2.gz MYSJFDHVFRWSKL-NHIYQJMISA-N 2 0 324.415 3.717 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2ccccc2)o1 ZINC000423545294 337725287 /nfs/dbraw/zinc/72/52/87/337725287.db2.gz PDJSENNISZQVDJ-LEUOFYLZSA-N 2 0 310.441 3.985 20 0 DHADRP Cc1cc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)ccc1F ZINC000423545298 337725338 /nfs/dbraw/zinc/72/53/38/337725338.db2.gz PDOLTRBXIMQPJD-DODZYUBVSA-N 2 0 302.437 3.563 20 0 DHADRP C[C@H]([NH2+]CC1(C2CC2)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000536836532 337735954 /nfs/dbraw/zinc/73/59/54/337735954.db2.gz BEFYUYJBLVOYAF-INIZCTEOSA-N 2 0 316.489 3.858 20 0 DHADRP c1cc2ccc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cc2[nH]1 ZINC000527686956 337755807 /nfs/dbraw/zinc/75/58/07/337755807.db2.gz YCMYYXGPDBGTRC-UHFFFAOYSA-N 2 0 320.440 3.569 20 0 DHADRP Fc1ccc(F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1Cl ZINC000527698779 337757300 /nfs/dbraw/zinc/75/73/00/337757300.db2.gz COJLRZYALQEWOC-UHFFFAOYSA-N 2 0 314.807 3.582 20 0 DHADRP COCCC1CC[NH+](C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000527937429 337773078 /nfs/dbraw/zinc/77/30/78/337773078.db2.gz URQMHBPHXFONQP-YLJYHZDGSA-N 2 0 322.537 3.778 20 0 DHADRP CCC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OCC ZINC000527927589 337775844 /nfs/dbraw/zinc/77/58/44/337775844.db2.gz CRZFILIDIHSZFQ-BHIYHBOVSA-N 2 0 310.526 3.824 20 0 DHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)C[C@H]2C1 ZINC000424272497 337813902 /nfs/dbraw/zinc/81/39/02/337813902.db2.gz UKXGFIHLHUHZLG-KSCVBYKOSA-N 2 0 322.537 3.536 20 0 DHADRP C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)CC[NH+]1CCCCC1 ZINC000121814849 337901066 /nfs/dbraw/zinc/90/10/66/337901066.db2.gz LGFYLZZUDVXKJM-QRVBRYPASA-N 2 0 320.521 3.580 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000122659870 337923688 /nfs/dbraw/zinc/92/36/88/337923688.db2.gz QPAQYCZEBUVHQA-CQSZACIVSA-N 2 0 308.441 3.607 20 0 DHADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3CC=CCC3)CC2)C[C@@H](C)O1 ZINC000537658119 337957118 /nfs/dbraw/zinc/95/71/18/337957118.db2.gz ARBMLBUCSKKTIY-GGPKGHCWSA-N 2 0 320.521 3.554 20 0 DHADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000514930449 337974281 /nfs/dbraw/zinc/97/42/81/337974281.db2.gz FEMWLYYFVUKIIA-SNVBAGLBSA-N 2 0 305.285 3.549 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3CCC(c4ccccc4)CC3)C2)C1 ZINC000429024330 338069047 /nfs/dbraw/zinc/06/90/47/338069047.db2.gz AGOOKQUJQJMKBL-MNLRITNHSA-N 2 0 312.501 3.988 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cccs4)cc3)C2)C1 ZINC000429034408 338069512 /nfs/dbraw/zinc/06/95/12/338069512.db2.gz IKDWSWNMNGXKNM-LJQANCHMSA-N 2 0 312.482 3.943 20 0 DHADRP CC(C)CCOc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430163502 338099547 /nfs/dbraw/zinc/09/95/47/338099547.db2.gz LQSWIYKXPBYHFL-FQEVSTJZSA-N 2 0 316.489 3.639 20 0 DHADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000430718095 338112214 /nfs/dbraw/zinc/11/22/14/338112214.db2.gz BJJSKRLNHGMAIL-ZRSLWSEBSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@@H]([NH3+])C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000430936188 338119184 /nfs/dbraw/zinc/11/91/84/338119184.db2.gz XVIWBHODFSPCLZ-CYBMUJFWSA-N 2 0 312.910 3.881 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000431333297 338128187 /nfs/dbraw/zinc/12/81/87/338128187.db2.gz NFAKMSXRBVGMOV-GOSISDBHSA-N 2 0 304.478 3.955 20 0 DHADRP Cc1c[nH+]ccc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431479425 338131692 /nfs/dbraw/zinc/13/16/92/338131692.db2.gz WIKKQFNMBYULCB-UHFFFAOYSA-N 2 0 321.468 3.883 20 0 DHADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432413442 338155330 /nfs/dbraw/zinc/15/53/30/338155330.db2.gz MOEYIJGXGUIWCC-ZHALLVOQSA-N 2 0 316.489 3.634 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422029 338156044 /nfs/dbraw/zinc/15/60/44/338156044.db2.gz CDUVQJHGPIXKSM-HLIPFELVSA-N 2 0 316.489 3.716 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432426513 338156181 /nfs/dbraw/zinc/15/61/81/338156181.db2.gz RWVOLQSJTYXZCC-MSOLQXFVSA-N 2 0 318.505 3.962 20 0 DHADRP c1cc(C[N@@H+](CC2CCCC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432665511 338161896 /nfs/dbraw/zinc/16/18/96/338161896.db2.gz DEPIDYNCCKZCRT-QGZVFWFLSA-N 2 0 304.503 3.882 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1C ZINC000433078405 338180524 /nfs/dbraw/zinc/18/05/24/338180524.db2.gz RTPZUEQMAUNTSF-UXHICEINSA-N 2 0 312.501 3.942 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1C ZINC000433078407 338180681 /nfs/dbraw/zinc/18/06/81/338180681.db2.gz RTPZUEQMAUNTSF-VQTJNVASSA-N 2 0 312.501 3.942 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000433097675 338181540 /nfs/dbraw/zinc/18/15/40/338181540.db2.gz ORBYZEXKNLLTCC-NVXWUHKLSA-N 2 0 310.551 3.905 20 0 DHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000433155969 338183373 /nfs/dbraw/zinc/18/33/73/338183373.db2.gz GYUNZHQXSRUBLP-HOTGVXAUSA-N 2 0 316.489 3.574 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000152509705 338206205 /nfs/dbraw/zinc/20/62/05/338206205.db2.gz RPXIDRBUXZYEQP-LSDHHAIUSA-N 2 0 310.457 3.995 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000435381865 338238393 /nfs/dbraw/zinc/23/83/93/338238393.db2.gz YJUIYQHVPLTWLE-IHPCNDPISA-N 2 0 322.452 3.531 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000435383507 338238495 /nfs/dbraw/zinc/23/84/95/338238495.db2.gz HHHMTJJVRIHQOF-QGZVFWFLSA-N 2 0 310.441 3.533 20 0 DHADRP c1cc(C[NH+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426441 338239823 /nfs/dbraw/zinc/23/98/23/338239823.db2.gz ICYLQYCIJCCHQB-INIZCTEOSA-N 2 0 318.511 3.954 20 0 DHADRP Cc1ccc(-c2ncc(CN(C)[C@H]3CCC[NH2+]CC3)s2)cc1 ZINC000435448272 338240468 /nfs/dbraw/zinc/24/04/68/338240468.db2.gz UMZSDLKTDGNQHQ-INIZCTEOSA-N 2 0 315.486 3.692 20 0 DHADRP c1ccc(C[N@@H+](CCC2CCCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435629904 338243908 /nfs/dbraw/zinc/24/39/08/338243908.db2.gz VLAVMMROSKVRNF-LJQANCHMSA-N 2 0 301.478 3.606 20 0 DHADRP CCN(Cc1nc(-c2cccs2)oc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626600 338243933 /nfs/dbraw/zinc/24/39/33/338243933.db2.gz LADRQGCILNRLLS-CQSZACIVSA-N 2 0 319.474 3.676 20 0 DHADRP Cc1ncsc1C[N@H+](CCCC1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000436060583 338256981 /nfs/dbraw/zinc/25/69/81/338256981.db2.gz RGSLNRRQXVICDG-QGZVFWFLSA-N 2 0 321.534 3.833 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436284342 338265875 /nfs/dbraw/zinc/26/58/75/338265875.db2.gz NHAPQDDAPKLYHV-QXAKKESOSA-N 2 0 308.510 3.578 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000436319220 338268932 /nfs/dbraw/zinc/26/89/32/338268932.db2.gz ZSNZWGLLJYCHOZ-UWIFEVILSA-N 2 0 306.881 3.906 20 0 DHADRP C[C@@H](CC[NH2+]Cc1cc2c(cccc2F)[nH]1)[NH+]1CCCCC1 ZINC000436409660 338271435 /nfs/dbraw/zinc/27/14/35/338271435.db2.gz ALXSMBWBNKPHFA-AWEZNQCLSA-N 2 0 303.425 3.661 20 0 DHADRP Fc1cccc2[nH]c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc21 ZINC000437581918 338314496 /nfs/dbraw/zinc/31/44/96/338314496.db2.gz QFRNQMILCOZWAP-UHFFFAOYSA-N 2 0 315.436 3.615 20 0 DHADRP C[C@@H](C[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccc(F)cc1 ZINC000437800300 338322018 /nfs/dbraw/zinc/32/20/18/338322018.db2.gz XCSYLIMWJBXGBH-JKSUJKDBSA-N 2 0 315.436 3.617 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000438088960 338330761 /nfs/dbraw/zinc/33/07/61/338330761.db2.gz SHXNGUIIDRLDQH-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000438091372 338331025 /nfs/dbraw/zinc/33/10/25/338331025.db2.gz FGTRTSRTRINPHB-QGZVFWFLSA-N 2 0 306.469 3.858 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438221795 338337065 /nfs/dbraw/zinc/33/70/65/338337065.db2.gz XRUWOOLKEJNXAY-YZGWKJHDSA-N 2 0 300.490 3.818 20 0 DHADRP CC(C)Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446882722 338539307 /nfs/dbraw/zinc/53/93/07/338539307.db2.gz BJHPBLHMSMIIEH-UHFFFAOYSA-N 2 0 300.490 3.849 20 0 DHADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446889340 338539690 /nfs/dbraw/zinc/53/96/90/338539690.db2.gz VRARVXXQZLRECD-VQTJNVASSA-N 2 0 312.501 3.862 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447554290 338556468 /nfs/dbraw/zinc/55/64/68/338556468.db2.gz UYFVBDZUXMALTD-ZDUSSCGKSA-N 2 0 322.880 3.874 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)Cc2ccoc2)cc1 ZINC000449059625 338589238 /nfs/dbraw/zinc/58/92/38/338589238.db2.gz CDBVQWWAZACJMV-INIZCTEOSA-N 2 0 300.446 3.842 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000449327439 338613123 /nfs/dbraw/zinc/61/31/23/338613123.db2.gz BGZBRSABDLKRFY-AYBZRNKSSA-N 2 0 304.453 3.562 20 0 DHADRP CCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000453139507 338798640 /nfs/dbraw/zinc/79/86/40/338798640.db2.gz BERDKEREDXWYCM-IBGZPJMESA-N 2 0 301.478 3.856 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000453200267 338806892 /nfs/dbraw/zinc/80/68/92/338806892.db2.gz AMECTNMLRUEOSU-QGZVFWFLSA-N 2 0 303.494 3.504 20 0 DHADRP CC(C)OC1CC([NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000459358429 339024298 /nfs/dbraw/zinc/02/42/98/339024298.db2.gz FUWKBDUZRGREOI-KKXNLOMOSA-N 2 0 322.537 3.919 20 0 DHADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc[nH+]1 ZINC000459379009 339025756 /nfs/dbraw/zinc/02/57/56/339025756.db2.gz OROKOQRACHIHCE-JENIJYKNSA-N 2 0 313.489 3.999 20 0 DHADRP CSc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459478517 339031721 /nfs/dbraw/zinc/03/17/21/339031721.db2.gz SVBCDJSGALGMFP-UHFFFAOYSA-N 2 0 313.470 3.562 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459648133 339040211 /nfs/dbraw/zinc/04/02/11/339040211.db2.gz BNEJWJXNNWFDAT-CYBMUJFWSA-N 2 0 315.367 3.723 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459666334 339041647 /nfs/dbraw/zinc/04/16/47/339041647.db2.gz LUHMEDRMZIJRIG-BRXULGCHSA-N 2 0 308.828 3.551 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459784620 339048479 /nfs/dbraw/zinc/04/84/79/339048479.db2.gz OCNLGKGUHALZNQ-IPMKNSEASA-N 2 0 315.505 3.738 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459798046 339049183 /nfs/dbraw/zinc/04/91/83/339049183.db2.gz XKNMWMNBWWAEFL-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C12CCC2 ZINC000459798381 339049197 /nfs/dbraw/zinc/04/91/97/339049197.db2.gz XMMVSFJFLFPUPU-XGXHKWSGSA-N 2 0 320.521 3.577 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000462102414 339072134 /nfs/dbraw/zinc/07/21/34/339072134.db2.gz BZNGGAZOIBTJNK-UXHICEINSA-N 2 0 316.489 3.679 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)C1(C)C ZINC000462804652 339090116 /nfs/dbraw/zinc/09/01/16/339090116.db2.gz MEHKWHIMRIYEDM-MSOLQXFVSA-N 2 0 310.526 3.680 20 0 DHADRP CO[C@@](C)(C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000462905903 339097250 /nfs/dbraw/zinc/09/72/50/339097250.db2.gz LACRIJCNVKBSIV-FQEVSTJZSA-N 2 0 318.505 3.549 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000463542022 339120803 /nfs/dbraw/zinc/12/08/03/339120803.db2.gz IOFQMNQRHCWEEZ-BHIYHBOVSA-N 2 0 300.490 3.890 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000466344161 339200046 /nfs/dbraw/zinc/20/00/46/339200046.db2.gz ACVJWFBECYJVLQ-YSTOQKLRSA-N 2 0 322.537 3.539 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000466360733 339200727 /nfs/dbraw/zinc/20/07/27/339200727.db2.gz IZULLSJOOBNSEX-PPWQZUPISA-N 2 0 306.416 3.675 20 0 DHADRP COCCC[NH+]1CCC([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000466743258 339215506 /nfs/dbraw/zinc/21/55/06/339215506.db2.gz KQUWZPREBMJAQB-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000467303576 339230633 /nfs/dbraw/zinc/23/06/33/339230633.db2.gz BMXHAGBRKIRPOF-INDMIFKZSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467305963 339230731 /nfs/dbraw/zinc/23/07/31/339230731.db2.gz VXZLWGUEKOILKF-QZTJIDSGSA-N 2 0 303.494 3.738 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000467363698 339234227 /nfs/dbraw/zinc/23/42/27/339234227.db2.gz DLIFMDLVKKFQSW-HCXYKTFWSA-N 2 0 315.505 3.879 20 0 DHADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000467431737 339238029 /nfs/dbraw/zinc/23/80/29/339238029.db2.gz DDEBLXDPZVIVRX-LFGUQSLTSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000468028024 339251514 /nfs/dbraw/zinc/25/15/14/339251514.db2.gz UZTGINNHIBEEGN-OLZOCXBDSA-N 2 0 318.383 3.619 20 0 DHADRP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000468041049 339252239 /nfs/dbraw/zinc/25/22/39/339252239.db2.gz SFAVKFLQRONAQQ-GZBFAFLISA-N 2 0 306.416 3.960 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCSCc2ccc(C)cc2)[C@@H](C)C1 ZINC000468932303 339275154 /nfs/dbraw/zinc/27/51/54/339275154.db2.gz KBWSIENCBDFMFX-WMZOPIPTSA-N 2 0 306.519 3.548 20 0 DHADRP CCc1cccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000469767429 339298329 /nfs/dbraw/zinc/29/83/29/339298329.db2.gz YPVKMKUHXZCLKX-UHFFFAOYSA-N 2 0 323.484 3.992 20 0 DHADRP Clc1ccc(SC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000469975034 339306406 /nfs/dbraw/zinc/30/64/06/339306406.db2.gz UTTFENYJDCCTOF-UHFFFAOYSA-N 2 0 324.921 3.896 20 0 DHADRP C[NH2+]C[C@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000469990904 339307090 /nfs/dbraw/zinc/30/70/90/339307090.db2.gz HWZJFPNBUOWJLR-LJQANCHMSA-N 2 0 324.468 3.697 20 0 DHADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472288987 339369034 /nfs/dbraw/zinc/36/90/34/339369034.db2.gz XKEFULWOQMXODD-MOPGFXCFSA-N 2 0 304.478 3.570 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000474057035 339399710 /nfs/dbraw/zinc/39/97/10/339399710.db2.gz VXYJYPRLOQMVMT-UJMXGEILSA-N 2 0 322.537 3.539 20 0 DHADRP CCCC[C@H](COC)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000480170155 339561788 /nfs/dbraw/zinc/56/17/88/339561788.db2.gz PZNUBCJOBNOWKV-LJQANCHMSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)(C)C ZINC000480235602 339564511 /nfs/dbraw/zinc/56/45/11/339564511.db2.gz SZOOUEWXRGKPOQ-ZACQAIPSSA-N 2 0 318.505 3.820 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]CCCCc2ccc(F)c(F)c2)CC1 ZINC000480658310 339581436 /nfs/dbraw/zinc/58/14/36/339581436.db2.gz AWTHJBKOKPGJFD-UHFFFAOYSA-N 2 0 310.432 3.750 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000482354403 339630075 /nfs/dbraw/zinc/63/00/75/339630075.db2.gz DAUPPMISILHHNE-FQEVSTJZSA-N 2 0 300.490 3.638 20 0 DHADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000486948879 339739520 /nfs/dbraw/zinc/73/95/20/339739520.db2.gz GZPDFXSZRXOTBA-SFHVURJKSA-N 2 0 304.503 3.515 20 0 DHADRP C[C@@H](CCc1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488328359 339777346 /nfs/dbraw/zinc/77/73/46/339777346.db2.gz UPMYZXFITQNJGI-SFHVURJKSA-N 2 0 300.490 3.816 20 0 DHADRP Cc1cccc(C)c1OCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000496935139 340016541 /nfs/dbraw/zinc/01/65/41/340016541.db2.gz YSWBPEXRKZBACS-UHFFFAOYSA-N 2 0 318.505 3.877 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500429241 340058320 /nfs/dbraw/zinc/05/83/20/340058320.db2.gz NKWQCEFDDGGKGD-HBFSDRIKSA-N 2 0 318.505 3.690 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000502267713 340098239 /nfs/dbraw/zinc/09/82/39/340098239.db2.gz JLSCORDWBHTFDL-DFQSSKMNSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000502293261 340099038 /nfs/dbraw/zinc/09/90/38/340099038.db2.gz ZQQQCRNVOWMFLA-AHRSYUTCSA-N 2 0 316.464 3.958 20 0 DHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000502389237 340101395 /nfs/dbraw/zinc/10/13/95/340101395.db2.gz GPHBHUTUPKLNAP-WDSOQIARSA-N 2 0 308.510 3.578 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000502860640 340114946 /nfs/dbraw/zinc/11/49/46/340114946.db2.gz YYZOITYTILKBCL-SFHVURJKSA-N 2 0 304.453 3.565 20 0 DHADRP C[N@@H+]1CCC[C@H]1CCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073105 340120242 /nfs/dbraw/zinc/12/02/42/340120242.db2.gz MVWIIJMVSLGYPA-VQTJNVASSA-N 2 0 312.432 3.989 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CCO1 ZINC000503556105 340130261 /nfs/dbraw/zinc/13/02/61/340130261.db2.gz BGITWCLDPQEEIK-NCXUSEDFSA-N 2 0 310.526 3.682 20 0 DHADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000503885554 340135756 /nfs/dbraw/zinc/13/57/56/340135756.db2.gz LLTCTMGYZANVNA-IBGZPJMESA-N 2 0 316.489 3.708 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCS2 ZINC000400921708 340157799 /nfs/dbraw/zinc/15/77/99/340157799.db2.gz JXUGZZVQOQEJQB-KLZCAUPSSA-N 2 0 322.905 3.855 20 0 DHADRP CCC[NH+](CCC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505348125 340166748 /nfs/dbraw/zinc/16/67/48/340166748.db2.gz FOUYBWVLRNJSMN-UHFFFAOYSA-N 2 0 317.521 3.839 20 0 DHADRP CCCC[N@H+](CC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505858144 340179969 /nfs/dbraw/zinc/17/99/69/340179969.db2.gz BJHDLRLHSVNWGD-UHFFFAOYSA-N 2 0 317.521 3.839 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000506852435 340202756 /nfs/dbraw/zinc/20/27/56/340202756.db2.gz WUSLVRQCGBTRFQ-UHFFFAOYSA-N 2 0 315.486 3.584 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000506852179 340202849 /nfs/dbraw/zinc/20/28/49/340202849.db2.gz UIZGGTQCQDUENG-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP CCOc1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000506929912 340203934 /nfs/dbraw/zinc/20/39/34/340203934.db2.gz USMVUUWBLVXSHL-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP Cc1ccccc1OCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507348979 340217826 /nfs/dbraw/zinc/21/78/26/340217826.db2.gz OQSQLBNLMQGTNK-UHFFFAOYSA-N 2 0 304.478 3.569 20 0 DHADRP Cc1cc([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C2CC2)ccc1F ZINC000507486470 340222335 /nfs/dbraw/zinc/22/23/35/340222335.db2.gz VSNCBWREEOZKML-SFHVURJKSA-N 2 0 304.453 3.907 20 0 DHADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CCO1 ZINC000507808850 340232497 /nfs/dbraw/zinc/23/24/97/340232497.db2.gz WVEZRSLTVCKOPQ-ZGXWSNOMSA-N 2 0 322.537 3.778 20 0 DHADRP CCc1oc2ccccc2c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508516704 340245394 /nfs/dbraw/zinc/24/53/94/340245394.db2.gz RMPWWHIIRMZGLY-HNNXBMFYSA-N 2 0 300.446 3.769 20 0 DHADRP CC[N@H+](C)C[C@H]1CCN(C/C(C)=C\c2ccccc2COC)C1 ZINC000508860987 340254525 /nfs/dbraw/zinc/25/45/25/340254525.db2.gz TWATZLLBWBKTQA-XUDLPTGHSA-N 2 0 316.489 3.510 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509603801 340274540 /nfs/dbraw/zinc/27/45/40/340274540.db2.gz WSQFPZVVNBRJGW-HOTGVXAUSA-N 2 0 306.469 3.982 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510672805 340305871 /nfs/dbraw/zinc/30/58/71/340305871.db2.gz WTJRWGGHDLGQHN-CABCVRRESA-N 2 0 310.432 3.607 20 0 DHADRP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729246 340308371 /nfs/dbraw/zinc/30/83/71/340308371.db2.gz CRKTXPAHHHITOY-LBTNJELSSA-N 2 0 310.432 3.604 20 0 DHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000510871825 340313536 /nfs/dbraw/zinc/31/35/36/340313536.db2.gz ITVKXRIOAZFGJZ-HLIPFELVSA-N 2 0 324.468 3.748 20 0 DHADRP COCC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC000510960636 340316401 /nfs/dbraw/zinc/31/64/01/340316401.db2.gz RRYAYOROKZCMHZ-RBUKOAKNSA-N 2 0 318.505 3.692 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000512041526 340346416 /nfs/dbraw/zinc/34/64/16/340346416.db2.gz UNJWBBUIDQBCOW-QGZVFWFLSA-N 2 0 300.446 3.890 20 0 DHADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512630519 340369989 /nfs/dbraw/zinc/36/99/89/340369989.db2.gz MZJWCZUYWCDCQK-XGXHKWSGSA-N 2 0 318.530 3.628 20 0 DHADRP CC[C@@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173947479 340378416 /nfs/dbraw/zinc/37/84/16/340378416.db2.gz KSRRHOADOIMPJN-FQEVSTJZSA-N 2 0 316.489 3.715 20 0 DHADRP CCOc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000512836505 340380034 /nfs/dbraw/zinc/38/00/34/340380034.db2.gz YZPPPHBFJZOCCB-QZTJIDSGSA-N 2 0 318.505 3.933 20 0 DHADRP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000512964253 340385856 /nfs/dbraw/zinc/38/58/56/340385856.db2.gz NZMWRIGABBPWGS-PKOBYXMFSA-N 2 0 322.537 3.826 20 0 DHADRP COc1cccc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000175636111 340415977 /nfs/dbraw/zinc/41/59/77/340415977.db2.gz QKMKWYCMZWDSGP-INIZCTEOSA-N 2 0 302.462 3.564 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194058846 340588553 /nfs/dbraw/zinc/58/85/53/340588553.db2.gz XTPJKNAXTCIUPQ-GOSISDBHSA-N 2 0 324.896 3.739 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000227327956 340598040 /nfs/dbraw/zinc/59/80/40/340598040.db2.gz KHYOJMNSYHHHTD-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000530207164 340782567 /nfs/dbraw/zinc/78/25/67/340782567.db2.gz CCDLQTSJGQAMTI-AKMUDRQMSA-N 2 0 323.278 3.569 20 0 DHADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530244695 340783545 /nfs/dbraw/zinc/78/35/45/340783545.db2.gz MRJUMWZWVOFBFK-XDNAFOTISA-N 2 0 304.865 3.838 20 0 DHADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123733868 340794091 /nfs/dbraw/zinc/79/40/91/340794091.db2.gz NMQYYJJASNQYPR-VLIAUNLRSA-N 2 0 312.432 3.910 20 0 DHADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123733686 340794104 /nfs/dbraw/zinc/79/41/04/340794104.db2.gz NMQYYJJASNQYPR-VBKZILBWSA-N 2 0 312.432 3.910 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000126288328 340825828 /nfs/dbraw/zinc/82/58/28/340825828.db2.gz SETHCKAEQKCCJP-UONOGXRCSA-N 2 0 317.502 3.720 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000539073624 340870665 /nfs/dbraw/zinc/87/06/65/340870665.db2.gz NZXBOFSIRAGVOT-BZSNNMDCSA-N 2 0 318.505 3.789 20 0 DHADRP CCC1(C[NH2+][C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000541556663 340974299 /nfs/dbraw/zinc/97/42/99/340974299.db2.gz NONCHNAXKANHFW-GOSISDBHSA-N 2 0 318.530 3.774 20 0 DHADRP COc1ccc(C2CCC([NH2+]CC3=CC[N@H+](C)CC3)CC2)cc1 ZINC000542484203 341009717 /nfs/dbraw/zinc/00/97/17/341009717.db2.gz UITWQLWSNLCXSC-UHFFFAOYSA-N 2 0 314.473 3.573 20 0 DHADRP C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529038 341012352 /nfs/dbraw/zinc/01/23/52/341012352.db2.gz KUDHFVVVKKGTLT-RMJJICAUSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000132139414 341117086 /nfs/dbraw/zinc/11/70/86/341117086.db2.gz IUEXZBXCNCRDHJ-ZIAGYGMSSA-N 2 0 319.518 3.966 20 0 DHADRP CCCC[C@H](CC)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000545518505 341128212 /nfs/dbraw/zinc/12/82/12/341128212.db2.gz YCVUVZGVDPTHQM-IBGZPJMESA-N 2 0 323.569 3.552 20 0 DHADRP Fc1cc(F)cc(C2CC([NH2+]CCC[NH+]3CCCCC3)C2)c1 ZINC000564299392 341152794 /nfs/dbraw/zinc/15/27/94/341152794.db2.gz UYULYRXUMQHKKE-UHFFFAOYSA-N 2 0 308.416 3.676 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000546166896 341155677 /nfs/dbraw/zinc/15/56/77/341155677.db2.gz SVJWCFOLJGNZIG-KDOFPFPSSA-N 2 0 324.896 3.880 20 0 DHADRP CCCC[C@@H](CC)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000546227446 341157927 /nfs/dbraw/zinc/15/79/27/341157927.db2.gz XURZFWAAVCGQCZ-GOSISDBHSA-N 2 0 310.526 3.780 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1cccc(Cl)c1 ZINC000549840583 341304666 /nfs/dbraw/zinc/30/46/66/341304666.db2.gz KTJIDNADHIRDGY-QAPCUYQASA-N 2 0 306.881 3.861 20 0 DHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245700143 341310569 /nfs/dbraw/zinc/31/05/69/341310569.db2.gz UPFQUKKYLQBDDG-ZIFCJYIRSA-N 2 0 318.530 3.973 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CCC(C(F)(F)F)CC3)C2)C1 ZINC000550238260 341313219 /nfs/dbraw/zinc/31/32/19/341313219.db2.gz ZOUNGKQMNQVBJO-UYSNPLJNSA-N 2 0 318.427 3.773 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000245935376 341318866 /nfs/dbraw/zinc/31/88/66/341318866.db2.gz WWXTWOMBTDWLDH-QFBILLFUSA-N 2 0 303.494 3.671 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H](C)C1 ZINC000550847337 341324260 /nfs/dbraw/zinc/32/42/60/341324260.db2.gz LWJMLDDPYIKPMX-DLBZAZTESA-N 2 0 312.542 3.785 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3s2)[C@H](C)C1 ZINC000550881815 341325171 /nfs/dbraw/zinc/32/51/71/341325171.db2.gz DAWXBNGLQZCOBE-PBHICJAKSA-N 2 0 302.487 3.764 20 0 DHADRP CC1=CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000551309289 341337958 /nfs/dbraw/zinc/33/79/58/341337958.db2.gz QSHNEZGBCISBAY-GOSISDBHSA-N 2 0 314.473 3.748 20 0 DHADRP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000551787510 341351394 /nfs/dbraw/zinc/35/13/94/341351394.db2.gz HWEUYUHQXGJTNY-NVXWUHKLSA-N 2 0 302.462 3.753 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000551791383 341351817 /nfs/dbraw/zinc/35/18/17/341351817.db2.gz PQAPUZCEKVKWCF-NSISKUIASA-N 2 0 316.489 3.653 20 0 DHADRP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000551790713 341351858 /nfs/dbraw/zinc/35/18/58/341351858.db2.gz FUJRMSHJBBVPMA-KBAYOESNSA-N 2 0 310.526 3.559 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000246945907 341358930 /nfs/dbraw/zinc/35/89/30/341358930.db2.gz IACDKSXZFUXWNW-BZUAXINKSA-N 2 0 324.896 3.880 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccs2)[C@H](C)C1 ZINC000247003447 341359819 /nfs/dbraw/zinc/35/98/19/341359819.db2.gz KTXFLCRUAMRVJZ-IKGGRYGDSA-N 2 0 324.534 3.926 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000247152987 341361632 /nfs/dbraw/zinc/36/16/32/341361632.db2.gz SYNNKRAFSVSWOA-GVDBMIGSSA-N 2 0 304.478 3.509 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000247881026 341370901 /nfs/dbraw/zinc/37/09/01/341370901.db2.gz BQOPWQRWQUTKCO-NSHGMRRFSA-N 2 0 318.505 3.783 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cccnc1 ZINC000248405909 341376703 /nfs/dbraw/zinc/37/67/03/341376703.db2.gz BIYTWZJCKHZIET-LLUDDFSJSA-N 2 0 321.468 3.643 20 0 DHADRP CC(C)COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000552224184 341379348 /nfs/dbraw/zinc/37/93/48/341379348.db2.gz MENYNJPSEWHFJQ-UHFFFAOYSA-N 2 0 304.478 3.684 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000249383605 341396833 /nfs/dbraw/zinc/39/68/33/341396833.db2.gz WEGJPOKDVHOVIV-WFASDCNBSA-N 2 0 310.894 3.808 20 0 DHADRP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000249465952 341397975 /nfs/dbraw/zinc/39/79/75/341397975.db2.gz GQFLJFAEAUQQBY-HFTRVMKXSA-N 2 0 306.881 3.860 20 0 DHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000089214943 341402718 /nfs/dbraw/zinc/40/27/18/341402718.db2.gz ZOQMDAAYIBXNFZ-INIZCTEOSA-N 2 0 301.478 3.856 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000091348409 341424939 /nfs/dbraw/zinc/42/49/39/341424939.db2.gz UPGXWADTAVIDFV-HXUWFJFHSA-N 2 0 316.489 3.858 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000091729218 341427894 /nfs/dbraw/zinc/42/78/94/341427894.db2.gz IAZIBRJZFXGOHK-CQSZACIVSA-N 2 0 321.534 3.795 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2ccsc2S1 ZINC000564988391 341514556 /nfs/dbraw/zinc/51/45/56/341514556.db2.gz IJSIGFNGGOVMHI-XHDPSFHLSA-N 2 0 304.484 3.922 20 0 DHADRP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566242469 341551706 /nfs/dbraw/zinc/55/17/06/341551706.db2.gz SAHFDUUGLLAUOS-SWLSCSKDSA-N 2 0 310.844 3.862 20 0 DHADRP CC1(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000566654529 341564364 /nfs/dbraw/zinc/56/43/64/341564364.db2.gz UZFRJHVDAVVHNP-UHFFFAOYSA-N 2 0 306.881 3.942 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000568786258 341681653 /nfs/dbraw/zinc/68/16/53/341681653.db2.gz TVFMUZWDRAUOHF-UHFFFAOYSA-N 2 0 304.478 3.830 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000336864105 341808754 /nfs/dbraw/zinc/80/87/54/341808754.db2.gz DSCDXDWDUYIWOJ-GOSISDBHSA-N 2 0 316.489 3.971 20 0 DHADRP Fc1ccccc1C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000575859789 341811014 /nfs/dbraw/zinc/81/10/14/341811014.db2.gz NDCAQMICDIYUHG-HXUWFJFHSA-N 2 0 312.432 3.699 20 0 DHADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000577500649 341913143 /nfs/dbraw/zinc/91/31/43/341913143.db2.gz GOBRZNLHOZGOTN-HSALFYBXSA-N 2 0 316.489 3.622 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000337348218 519773133 /nfs/dbraw/zinc/77/31/33/519773133.db2.gz YTMIBTFGNVCNGE-SFHVURJKSA-N 2 0 318.505 3.822 20 0 DHADRP CCC1(C[NH2+]Cc2cc[nH]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000338335249 519842652 /nfs/dbraw/zinc/84/26/52/519842652.db2.gz YNYDMBVMIRTOJZ-UHFFFAOYSA-N 2 0 311.473 3.797 20 0 DHADRP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000364865111 520863159 /nfs/dbraw/zinc/86/31/59/520863159.db2.gz RLPPNNKJABQACT-PXNSSMCTSA-N 2 0 320.521 3.554 20 0 DHADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc3cc[nH]c32)ccc1F ZINC000237063305 521890268 /nfs/dbraw/zinc/89/02/68/521890268.db2.gz MIXPQZSQAVVTEX-UHFFFAOYSA-N 2 0 311.404 3.658 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3csc4ccccc34)C2)C1 ZINC000339440412 523838436 /nfs/dbraw/zinc/83/84/36/523838436.db2.gz XLGVFSONFSKRCC-GOSISDBHSA-N 2 0 300.471 3.819 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCCC1 ZINC000337264884 524047889 /nfs/dbraw/zinc/04/78/89/524047889.db2.gz STOKZOJUDRTQMQ-HKUYNNGSSA-N 2 0 315.505 3.819 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000191000895 524204385 /nfs/dbraw/zinc/20/43/85/524204385.db2.gz PODOOIRZNZTELM-IUODEOHRSA-N 2 0 300.368 3.586 20 0 DHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccncc3)CC2)cc1 ZINC000365661222 524436355 /nfs/dbraw/zinc/43/63/55/524436355.db2.gz PFKJGYNBXUKBPK-SFHVURJKSA-N 2 0 323.484 3.953 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000180889831 524921066 /nfs/dbraw/zinc/92/10/66/524921066.db2.gz ZHABOTQVXYQQDY-ILZDJORESA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000368526952 525207790 /nfs/dbraw/zinc/20/77/90/525207790.db2.gz JRUKGGMEBYVPGZ-QRVBRYPASA-N 2 0 322.537 3.683 20 0 DHADRP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCS1 ZINC000158080758 525266338 /nfs/dbraw/zinc/26/63/38/525266338.db2.gz SHMWBSQXADWLPO-LJQANCHMSA-N 2 0 318.530 3.569 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cncs1 ZINC000162912406 525439760 /nfs/dbraw/zinc/43/97/60/525439760.db2.gz CBXWWHAMUIRMBK-AWEZNQCLSA-N 2 0 301.459 3.590 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131738210 525442430 /nfs/dbraw/zinc/44/24/30/525442430.db2.gz UCGFSDYSRRQZPZ-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000164178306 525462254 /nfs/dbraw/zinc/46/22/54/525462254.db2.gz OGZWTPKOQHOHBW-PXNSSMCTSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1ccncc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000339415996 525741914 /nfs/dbraw/zinc/74/19/14/525741914.db2.gz YGTJJPQOXWGQMZ-CTNGQTDRSA-N 2 0 323.484 3.562 20 0 DHADRP Cc1ccoc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000266173613 525804555 /nfs/dbraw/zinc/80/45/55/525804555.db2.gz CYEBBIBKZDNGDO-UHFFFAOYSA-N 2 0 304.459 3.651 20 0 DHADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000181210762 526172443 /nfs/dbraw/zinc/17/24/43/526172443.db2.gz YUCGYTSVGGQVRT-HNNXBMFYSA-N 2 0 315.461 3.943 20 0 DHADRP c1ccc(COCCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000182403871 526474096 /nfs/dbraw/zinc/47/40/96/526474096.db2.gz VWMSNFYRCLWAJM-HXUWFJFHSA-N 2 0 316.489 3.544 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000284586510 534947289 /nfs/dbraw/zinc/94/72/89/534947289.db2.gz ZMFORDMIVSEAQW-XAMWDVODSA-N 2 0 316.489 3.509 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000120149360 535522160 /nfs/dbraw/zinc/52/21/60/535522160.db2.gz VLXIWPKMCRFPTQ-HZPDHXFCSA-N 2 0 319.493 3.806 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3occc3c2)cc1 ZINC000285518725 535906170 /nfs/dbraw/zinc/90/61/70/535906170.db2.gz ROOOJDNTFOUVIB-UHFFFAOYSA-N 2 0 324.424 3.663 20 0 DHADRP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164421323 718893268 /nfs/dbraw/zinc/89/32/68/718893268.db2.gz PPJDFFWZODALLY-INIZCTEOSA-N 2 0 321.896 3.824 20 0 DHADRP Cc1cc2[nH]ccc2c(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165046064 721971867 /nfs/dbraw/zinc/97/18/67/721971867.db2.gz AEJTXFIYPJYKOV-INIZCTEOSA-N 2 0 312.461 3.716 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2c(Cl)cccc2Cl)CC1 ZINC001168295001 1032066794 /nfs/dbraw/zinc/06/67/94/1032066794.db2.gz NMENUFQNECOGAF-UHFFFAOYSA-N 2 0 315.288 3.998 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1Cc2ccccc2C1 ZINC001209322542 1013164884 /nfs/dbraw/zinc/16/48/84/1013164884.db2.gz MVAFEIRDYXDCNV-LEWJYISDSA-N 2 0 312.501 3.740 20 0 DHADRP CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000561778982 1032071308 /nfs/dbraw/zinc/07/13/08/1032071308.db2.gz LOIUVDOMWHFRPB-ABSDTBQOSA-N 2 0 318.505 3.558 20 0 DHADRP CN(C)C1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCC1 ZINC000519477028 1013329868 /nfs/dbraw/zinc/32/98/68/1013329868.db2.gz IBLXWUBGJXHECM-UHFFFAOYSA-N 2 0 308.416 3.675 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000262012739 1013331229 /nfs/dbraw/zinc/33/12/29/1013331229.db2.gz UUJAAOQGSFEIMD-UHFFFAOYSA-N 2 0 317.864 3.710 20 0 DHADRP C[C@@H]([NH2+]CCc1c[nH]c2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC000120721879 1013342389 /nfs/dbraw/zinc/34/23/89/1013342389.db2.gz MLNLYMIVDWBXAJ-CYBMUJFWSA-N 2 0 319.880 3.684 20 0 DHADRP Brc1ccccc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000648408453 1013356652 /nfs/dbraw/zinc/35/66/52/1013356652.db2.gz AICLIPGPWYQLTK-MRXNPFEDSA-N 2 0 323.278 3.586 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(F)c(C)c1 ZINC000894455733 1013373331 /nfs/dbraw/zinc/37/33/31/1013373331.db2.gz IWODPHFDMUAWSK-UHFFFAOYSA-N 2 0 315.436 3.613 20 0 DHADRP CSCc1ccc(C[N@H+](C)CCCn2ccnc2C)cc1 ZINC000894475680 1013383692 /nfs/dbraw/zinc/38/36/92/1013383692.db2.gz HVRMGFJVAXUCSI-UHFFFAOYSA-N 2 0 303.475 3.577 20 0 DHADRP c1cc2c(s1)CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167987095 1013551202 /nfs/dbraw/zinc/55/12/02/1013551202.db2.gz KANSTUBNPQQJRI-SJPCQFCGSA-N 2 0 302.487 3.512 20 0 DHADRP COc1ccc(C)cc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520205773 1013675893 /nfs/dbraw/zinc/67/58/93/1013675893.db2.gz BURWODVFYWVLDS-QZTJIDSGSA-N 2 0 318.505 3.851 20 0 DHADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(OC(C)(C)C)cc1)CC2 ZINC001279420026 1013676824 /nfs/dbraw/zinc/67/68/24/1013676824.db2.gz YVQSCQQCLOZGSA-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000655803921 1013728116 /nfs/dbraw/zinc/72/81/16/1013728116.db2.gz IHINFTIDJDSSQZ-RPVQJOFSSA-N 2 0 306.881 3.591 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803851 1013728131 /nfs/dbraw/zinc/72/81/31/1013728131.db2.gz FGKJJPYFEQHTAQ-ZRGWGRIASA-N 2 0 311.473 3.784 20 0 DHADRP CN(CCOc1ccccc1Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000441374053 1013728580 /nfs/dbraw/zinc/72/85/80/1013728580.db2.gz VAEFEWQIQKSZMO-HNNXBMFYSA-N 2 0 310.869 3.525 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804960 1013724034 /nfs/dbraw/zinc/72/40/34/1013724034.db2.gz HEVZTIAAYGTRDK-LXZKKBNFSA-N 2 0 322.880 3.792 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000655806658 1013724767 /nfs/dbraw/zinc/72/47/67/1013724767.db2.gz YXOYLPPJMQSAHQ-SLEUVZQESA-N 2 0 300.368 3.696 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1OC(F)(F)F ZINC000655805772 1013725424 /nfs/dbraw/zinc/72/54/24/1013725424.db2.gz KXTLDMMQZDHNSA-RWMBFGLXSA-N 2 0 316.367 3.576 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCS2 ZINC000655805490 1013727790 /nfs/dbraw/zinc/72/77/90/1013727790.db2.gz OHWAGEYMILJERK-UXLLHSPISA-N 2 0 304.503 3.770 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000655807599 1013729227 /nfs/dbraw/zinc/72/92/27/1013729227.db2.gz QKYGAVICZJGJSW-SLEUVZQESA-N 2 0 300.368 3.696 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)s1 ZINC000655807513 1013729302 /nfs/dbraw/zinc/72/93/02/1013729302.db2.gz NQQVGMWIOCCJLN-MXWKQRLJSA-N 2 0 317.296 3.501 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000340459768 1013818209 /nfs/dbraw/zinc/81/82/09/1013818209.db2.gz DGLDZVWFAVXDTM-IBGZPJMESA-N 2 0 316.489 3.871 20 0 DHADRP COc1ccc(C(C)C)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000655940735 1013836467 /nfs/dbraw/zinc/83/64/67/1013836467.db2.gz WMXWHZJANCLWGO-INIZCTEOSA-N 2 0 316.489 3.783 20 0 DHADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C[C@H](C)O1 ZINC001167326878 1013885660 /nfs/dbraw/zinc/88/56/60/1013885660.db2.gz WAXSSMRDFBIXPP-WCIQWLHISA-N 2 0 322.537 3.778 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000340524485 1013917049 /nfs/dbraw/zinc/91/70/49/1013917049.db2.gz IGAAYGOQNNPGPL-JXFKEZNVSA-N 2 0 316.489 3.727 20 0 DHADRP CSC1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000564580319 1014035429 /nfs/dbraw/zinc/03/54/29/1014035429.db2.gz XPNJEIMNUIMYMV-NJAFHUGGSA-N 2 0 318.530 3.596 20 0 DHADRP C[NH+](C)C1CCC(n2cc(C[NH3+])c3cc(Cl)ccc32)CC1 ZINC001168298262 1032079506 /nfs/dbraw/zinc/07/95/06/1032079506.db2.gz IYKBOGHVBADSNR-UHFFFAOYSA-N 2 0 305.853 3.799 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001173109998 1033545057 /nfs/dbraw/zinc/54/50/57/1033545057.db2.gz MPKAMDQIOBQVDJ-NRXISQOPSA-N 2 0 324.406 3.863 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)CCCO2 ZINC000361755413 1032084823 /nfs/dbraw/zinc/08/48/23/1032084823.db2.gz QLKMJRMQSSAJGD-LZLYRXPVSA-N 2 0 302.462 3.589 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000089597397 1014165341 /nfs/dbraw/zinc/16/53/41/1014165341.db2.gz JQPWXIDEXUFWBN-INIZCTEOSA-N 2 0 304.478 3.509 20 0 DHADRP COCCC1(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCCCC1 ZINC000189349472 1014179033 /nfs/dbraw/zinc/17/90/33/1014179033.db2.gz LRXMYSDWYDAKNC-IBGZPJMESA-N 2 0 324.553 3.931 20 0 DHADRP CCCC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000656261017 1014247647 /nfs/dbraw/zinc/24/76/47/1014247647.db2.gz BXNITPAUBZCBEY-OALUTQOASA-N 2 0 308.510 3.578 20 0 DHADRP FC(F)(F)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000262012565 1014272686 /nfs/dbraw/zinc/27/26/86/1014272686.db2.gz WQQVBQHKWCZSMB-MRXNPFEDSA-N 2 0 312.379 3.669 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000569000457 1014467308 /nfs/dbraw/zinc/46/73/08/1014467308.db2.gz JCVSJUJHRSIJLO-LSDHHAIUSA-N 2 0 323.278 3.688 20 0 DHADRP c1csc(-c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000665238035 1014510277 /nfs/dbraw/zinc/51/02/77/1014510277.db2.gz ORNUGFBQSUWJQM-OKZBNKHCSA-N 2 0 312.482 3.893 20 0 DHADRP C[C@@H]1C[C@@H](NCc2cccc(O)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012022 1014603949 /nfs/dbraw/zinc/60/39/49/1014603949.db2.gz UWUQWTUFUCPOPL-XEMDLRDOSA-N 2 0 324.468 3.923 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000152674597 1014646134 /nfs/dbraw/zinc/64/61/34/1014646134.db2.gz ZDZSBKJSXMALGY-QAPCUYQASA-N 2 0 302.462 3.711 20 0 DHADRP c1ccc(CC[C@@H](NCC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665277447 1014654972 /nfs/dbraw/zinc/65/49/72/1014654972.db2.gz BPNSGRFPXGKWKY-VEDCXYSMSA-N 2 0 306.453 3.702 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000581269459 1014666225 /nfs/dbraw/zinc/66/62/25/1014666225.db2.gz PSWVOHXQOVIWLS-OUUBHVDSSA-N 2 0 316.464 3.767 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000665281074 1014667023 /nfs/dbraw/zinc/66/70/23/1014667023.db2.gz TZJNMAUHMOGNIH-SMDDNHRTSA-N 2 0 304.356 3.609 20 0 DHADRP CC(C)[C@H]([NH3+])CCN[C@@H](C)c1sccc1Br ZINC000665280712 1014667296 /nfs/dbraw/zinc/66/72/96/1014667296.db2.gz JHIMYMGJDNIHAC-GXSJLCMTSA-N 2 0 305.285 3.535 20 0 DHADRP C[N@H+](CCOc1cccc(C(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442755154 1014729535 /nfs/dbraw/zinc/72/95/35/1014729535.db2.gz CACRVAVRWJOYBE-JWTNVVGKSA-N 2 0 316.489 3.578 20 0 DHADRP C[N@H+](CCCOc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442780075 1014730217 /nfs/dbraw/zinc/73/02/17/1014730217.db2.gz NAWMJTXBHMIWMK-YOFSQIOKSA-N 2 0 324.468 3.824 20 0 DHADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000442807410 1014734435 /nfs/dbraw/zinc/73/44/35/1014734435.db2.gz DWZHABNFNLEAPG-LULLPPNCSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442830325 1014746170 /nfs/dbraw/zinc/74/61/70/1014746170.db2.gz YEAFAOBWZZTHIC-QQFBHYJXSA-N 2 0 302.453 3.768 20 0 DHADRP C[C@H]1C[C@@H](NCc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000090720736 1014762628 /nfs/dbraw/zinc/76/26/28/1014762628.db2.gz KXIPUESSAHIOJX-GWCFXTLKSA-N 2 0 318.795 3.514 20 0 DHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000442927542 1014770259 /nfs/dbraw/zinc/77/02/59/1014770259.db2.gz NWSPCCGDNOLLFC-NSHDSACASA-N 2 0 320.786 3.920 20 0 DHADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000262057299 1014771414 /nfs/dbraw/zinc/77/14/14/1014771414.db2.gz DNIGSFUWERJXMO-OWCLPIDISA-N 2 0 312.379 3.716 20 0 DHADRP CCc1noc(C)c1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000276168384 1014776444 /nfs/dbraw/zinc/77/64/44/1014776444.db2.gz FAOCTHFWQPVVDC-CYBMUJFWSA-N 2 0 310.401 3.582 20 0 DHADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc12 ZINC000092043664 1014805566 /nfs/dbraw/zinc/80/55/66/1014805566.db2.gz CCEBBDNPPDKOID-PXNSSMCTSA-N 2 0 324.468 3.765 20 0 DHADRP CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015249 1014840407 /nfs/dbraw/zinc/84/04/07/1014840407.db2.gz QCUDCRQUTPWYJH-OPVJXMOQSA-N 2 0 318.505 3.833 20 0 DHADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2ccccc2n1 ZINC000390303910 1014860118 /nfs/dbraw/zinc/86/01/18/1014860118.db2.gz DLHWJVSJRKSESG-APWZRJJASA-N 2 0 309.457 3.507 20 0 DHADRP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc2cccnc21 ZINC000349420739 1014892211 /nfs/dbraw/zinc/89/22/11/1014892211.db2.gz RKCXBIYEJUEDGS-UHFFFAOYSA-N 2 0 303.425 3.538 20 0 DHADRP CCc1cnc(C[NH+]2CCC(CCCn3ccnc3)CC2)s1 ZINC000349424065 1014921828 /nfs/dbraw/zinc/92/18/28/1014921828.db2.gz YHIRBFKNAJPJCV-UHFFFAOYSA-N 2 0 318.490 3.594 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631065419 1014974341 /nfs/dbraw/zinc/97/43/41/1014974341.db2.gz YIDFFRKOWRSZCH-UHFFFAOYSA-N 2 0 314.395 3.613 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000443617917 1015039098 /nfs/dbraw/zinc/03/90/98/1015039098.db2.gz YKTMTTZZIMEJRI-KDOFPFPSSA-N 2 0 306.881 3.991 20 0 DHADRP C[C@H]1CC(n2cccc2CC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024300 1015067516 /nfs/dbraw/zinc/06/75/16/1015067516.db2.gz DSYAKXDSISEIPK-IRXDYDNUSA-N 2 0 311.473 3.603 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000656683701 1015071220 /nfs/dbraw/zinc/07/12/20/1015071220.db2.gz OUUKXWQTXZXLOZ-KRWDZBQOSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CC1(C)C ZINC000341252777 1015093998 /nfs/dbraw/zinc/09/39/98/1015093998.db2.gz FSLJETNSPAOWEB-KXBFYZLASA-N 2 0 316.489 3.684 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000341276095 1015123883 /nfs/dbraw/zinc/12/38/83/1015123883.db2.gz RYMQLRUWNWXFHP-QGZVFWFLSA-N 2 0 314.473 3.606 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000684367085 1015157136 /nfs/dbraw/zinc/15/71/36/1015157136.db2.gz HKDRVTCICXVXPQ-PMACEKPBSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1([NH3+])CCCC1 ZINC000656788783 1015163242 /nfs/dbraw/zinc/16/32/42/1015163242.db2.gz CGIXJFHWUVALCE-LLVKDONJSA-N 2 0 301.261 3.786 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788990 1015163861 /nfs/dbraw/zinc/16/38/61/1015163861.db2.gz HRXVJYUREQFPIZ-MOPGFXCFSA-N 2 0 316.489 3.971 20 0 DHADRP CC(C)c1ncc(C[N@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000895683149 1015260705 /nfs/dbraw/zinc/26/07/05/1015260705.db2.gz IHONXXDBGJGBNK-UHFFFAOYSA-N 2 0 309.523 3.964 20 0 DHADRP CCC1([NH+]2CCCC2)CC[NH+](CC2CCC(OC)CC2)CC1 ZINC000895739727 1015280974 /nfs/dbraw/zinc/28/09/74/1015280974.db2.gz HZLHIJFEVICJIQ-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP c1c2ccccc2[nH]c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410307 1015287713 /nfs/dbraw/zinc/28/77/13/1015287713.db2.gz JNQGZGOVIDEHTH-GOSISDBHSA-N 2 0 319.452 3.780 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474462530 1015379959 /nfs/dbraw/zinc/37/99/59/1015379959.db2.gz SURBRTIZZGSHSH-QLFBSQMISA-N 2 0 306.881 3.906 20 0 DHADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000474488394 1015390248 /nfs/dbraw/zinc/39/02/48/1015390248.db2.gz MKRVQXLPHHRQEI-PMACEKPBSA-N 2 0 318.505 3.823 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](CC2CCC(OC)CC2)CC1 ZINC000891610689 1015445321 /nfs/dbraw/zinc/44/53/21/1015445321.db2.gz BQJPJCRZSARBHV-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP CC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000399068454 1015463689 /nfs/dbraw/zinc/46/36/89/1015463689.db2.gz NCUBITKSGKGTLN-DFBGVHRSSA-N 2 0 311.267 3.630 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168037468 1015469134 /nfs/dbraw/zinc/46/91/34/1015469134.db2.gz YQZXSJKFYDWPIJ-IMBTUZDBSA-N 2 0 316.489 3.585 20 0 DHADRP C[C@@H]1CC([NH2+][C@]2(C)CCCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039209 1015494879 /nfs/dbraw/zinc/49/48/79/1015494879.db2.gz CHDCZDQSUBUTOQ-MBOZVWFJSA-N 2 0 316.489 3.587 20 0 DHADRP COC[C@@H]1CCC[N@@H+]1C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168040455 1015539947 /nfs/dbraw/zinc/53/99/47/1015539947.db2.gz MYCJIBDXQBHNBY-LMMKCTJWSA-N 2 0 316.489 3.539 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000474724420 1015565592 /nfs/dbraw/zinc/56/55/92/1015565592.db2.gz WEYPJINYYYFFQF-HAGHYFMRSA-N 2 0 324.553 3.928 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000896390839 1015569438 /nfs/dbraw/zinc/56/94/38/1015569438.db2.gz HTEHQTOTLIYYMZ-UHFFFAOYSA-N 2 0 324.472 3.517 20 0 DHADRP FC1(F)CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000647207813 1015598325 /nfs/dbraw/zinc/59/83/25/1015598325.db2.gz MWAUHCODWZNCEZ-MRXNPFEDSA-N 2 0 308.416 3.676 20 0 DHADRP CCSC[C@H](C)[NH+]1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001173298482 1033656352 /nfs/dbraw/zinc/65/63/52/1033656352.db2.gz PFFXXKDGAHASIU-ZDUSSCGKSA-N 2 0 312.910 3.731 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000684558335 1015738238 /nfs/dbraw/zinc/73/82/38/1015738238.db2.gz GIJONUUGGGZYAE-POZUXBRTSA-N 2 0 304.453 3.782 20 0 DHADRP COCCCC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000684558026 1015737240 /nfs/dbraw/zinc/73/72/40/1015737240.db2.gz UZMRYTTYLIBIGL-PXNSSMCTSA-N 2 0 318.505 3.864 20 0 DHADRP COCCCC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000684558028 1015737653 /nfs/dbraw/zinc/73/76/53/1015737653.db2.gz UZMRYTTYLIBIGL-YLJYHZDGSA-N 2 0 318.505 3.864 20 0 DHADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000896805213 1015749691 /nfs/dbraw/zinc/74/96/91/1015749691.db2.gz VARAKEMEUXOARD-HNNXBMFYSA-N 2 0 313.420 3.849 20 0 DHADRP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000475046479 1015803134 /nfs/dbraw/zinc/80/31/34/1015803134.db2.gz LUBVXNITMKUWCE-ICSRJNTNSA-N 2 0 322.537 3.516 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000346336148 1015832245 /nfs/dbraw/zinc/83/22/45/1015832245.db2.gz SSGHMPPVGUHXMM-OAHLLOKOSA-N 2 0 310.445 3.588 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000346336147 1015833316 /nfs/dbraw/zinc/83/33/16/1015833316.db2.gz SSGHMPPVGUHXMM-HNNXBMFYSA-N 2 0 310.445 3.588 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000535813096 1015833869 /nfs/dbraw/zinc/83/38/69/1015833869.db2.gz BOJQZODYDLADPF-PLNGDYQASA-N 2 0 304.453 3.891 20 0 DHADRP C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000396463783 1015984766 /nfs/dbraw/zinc/98/47/66/1015984766.db2.gz RECMIYQUWUEGTI-LLVKDONJSA-N 2 0 301.261 3.813 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262023435 1016075381 /nfs/dbraw/zinc/07/53/81/1016075381.db2.gz WKDRQTCEESXBCN-ZDUSSCGKSA-N 2 0 300.368 3.575 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657303524 1016257723 /nfs/dbraw/zinc/25/77/23/1016257723.db2.gz BHBRQKVISMYWBJ-UHFFFAOYSA-N 2 0 303.475 3.506 20 0 DHADRP Cc1cnc(Cl)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000892119734 1016261674 /nfs/dbraw/zinc/26/16/74/1016261674.db2.gz HIMQLPFRDBYWPS-UHFFFAOYSA-N 2 0 309.885 3.597 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000469083781 1016275574 /nfs/dbraw/zinc/27/55/74/1016275574.db2.gz QUXUUMXIZJQHPE-WBMJQRKESA-N 2 0 315.288 3.856 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)c2cccc(Br)c21 ZINC000151944897 1016297132 /nfs/dbraw/zinc/29/71/32/1016297132.db2.gz WAKUTWHNKRFEFD-RISCZKNCSA-N 2 0 311.267 3.539 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657341707 1016376479 /nfs/dbraw/zinc/37/64/79/1016376479.db2.gz IXPBGDXUXXJKCB-UHFFFAOYSA-N 2 0 320.440 3.643 20 0 DHADRP CCN1CCC([NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000281220941 1016403626 /nfs/dbraw/zinc/40/36/26/1016403626.db2.gz LRINLKAKRVGZBN-ZDUSSCGKSA-N 2 0 314.395 3.710 20 0 DHADRP CCCOc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1 ZINC001279231802 1016434386 /nfs/dbraw/zinc/43/43/86/1016434386.db2.gz YPMWSVSUQZMBRZ-UHFFFAOYSA-N 2 0 316.489 3.783 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000281295279 1016454960 /nfs/dbraw/zinc/45/49/60/1016454960.db2.gz QSMLNDJXLDLBQY-ZWKOTPCHSA-N 2 0 303.494 3.736 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000281380583 1016482400 /nfs/dbraw/zinc/48/24/00/1016482400.db2.gz XFEXTOCPBQFEMX-QYZOEREBSA-N 2 0 315.505 3.738 20 0 DHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346676832 1016507147 /nfs/dbraw/zinc/50/71/47/1016507147.db2.gz KSTJGBZZCOODKF-GXTWGEPZSA-N 2 0 304.434 3.723 20 0 DHADRP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000657375228 1016526945 /nfs/dbraw/zinc/52/69/45/1016526945.db2.gz FLSSCCSBIUNUHV-SUMWQHHRSA-N 2 0 315.486 3.691 20 0 DHADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000475049718 1016576306 /nfs/dbraw/zinc/57/63/06/1016576306.db2.gz ZFUASGISYZDGPJ-VQTJNVASSA-N 2 0 322.537 3.516 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000247977859 1016579262 /nfs/dbraw/zinc/57/92/62/1016579262.db2.gz LOUWWZLBLQCZNM-BBRMVZONSA-N 2 0 314.395 3.568 20 0 DHADRP CO[C@@H](c1ccc(-c2ccc(C[NH+](C)C)c(F)c2)cc1)[C@@H](C)[NH3+] ZINC000629708473 1016584349 /nfs/dbraw/zinc/58/43/49/1016584349.db2.gz HSFCTORSIVGSSN-BFUOFWGJSA-N 2 0 316.420 3.589 20 0 DHADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cc(F)c(F)c(F)c3)c2)CC1 ZINC000629711187 1016590885 /nfs/dbraw/zinc/59/08/85/1016590885.db2.gz SQXBZNKOTTZOGM-UHFFFAOYSA-N 2 0 320.358 3.694 20 0 DHADRP C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)[C@@H]([NH3+])CSC3)cc1F ZINC000629738350 1016635521 /nfs/dbraw/zinc/63/55/21/1016635521.db2.gz UBBRDRQTCMSDDQ-QGHHPUGFSA-N 2 0 302.418 3.759 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000582376076 1016643023 /nfs/dbraw/zinc/64/30/23/1016643023.db2.gz YPPAXVRKXLCMRK-AWEZNQCLSA-N 2 0 310.432 3.750 20 0 DHADRP c1ccc(-c2cccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c2)nc1 ZINC000347032139 1016701486 /nfs/dbraw/zinc/70/14/86/1016701486.db2.gz YXYFGAVQEUCTCO-FQEVSTJZSA-N 2 0 321.468 3.713 20 0 DHADRP c1ccc(-c2cccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c2)nc1 ZINC000347032140 1016702288 /nfs/dbraw/zinc/70/22/88/1016702288.db2.gz YXYFGAVQEUCTCO-HXUWFJFHSA-N 2 0 321.468 3.713 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000582413085 1016720982 /nfs/dbraw/zinc/72/09/82/1016720982.db2.gz XKKXFJKXDNKGQI-QUCCMNQESA-N 2 0 316.489 3.638 20 0 DHADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000347214891 1016793293 /nfs/dbraw/zinc/79/32/93/1016793293.db2.gz QQUHLTLAISEPMD-GFCCVEGCSA-N 2 0 306.862 3.849 20 0 DHADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc1 ZINC000347232434 1016797601 /nfs/dbraw/zinc/79/76/01/1016797601.db2.gz MOCTYGRJLYZJNP-HNNXBMFYSA-N 2 0 319.493 3.634 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000281940315 1016828929 /nfs/dbraw/zinc/82/89/29/1016828929.db2.gz ABPADWKWJMQFRO-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP Cc1[nH+]ccc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1Cl ZINC000684890741 1016827847 /nfs/dbraw/zinc/82/78/47/1016827847.db2.gz QXHWAYCVSBLOIC-INIZCTEOSA-N 2 0 315.848 3.754 20 0 DHADRP Clc1ccc(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000671306678 1016924785 /nfs/dbraw/zinc/92/47/85/1016924785.db2.gz GYTAAMUMDIGNKU-QZTJIDSGSA-N 2 0 312.844 3.658 20 0 DHADRP Clc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000671306677 1016927505 /nfs/dbraw/zinc/92/75/05/1016927505.db2.gz GYTAAMUMDIGNKU-HDICACEKSA-N 2 0 312.844 3.658 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623339297 1016968266 /nfs/dbraw/zinc/96/82/66/1016968266.db2.gz SCIRABDSYADXDL-OAHLLOKOSA-N 2 0 314.395 3.710 20 0 DHADRP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl ZINC000623341173 1016978244 /nfs/dbraw/zinc/97/82/44/1016978244.db2.gz QAMOYKQBPUJSRV-UHFFFAOYSA-N 2 0 310.869 3.747 20 0 DHADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356913 1016985626 /nfs/dbraw/zinc/98/56/26/1016985626.db2.gz OKYZEXIUIDCTDV-DLBZAZTESA-N 2 0 323.550 3.593 20 0 DHADRP C[N@@H+]1CC[C@@H](NCc2ccccc2OC2CCCC2)CC1(C)C ZINC000623362671 1016988786 /nfs/dbraw/zinc/98/87/86/1016988786.db2.gz DVYQDINHYYISFF-QGZVFWFLSA-N 2 0 316.489 3.970 20 0 DHADRP c1cc2c(o1)CCC[C@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000192818622 1017009286 /nfs/dbraw/zinc/00/92/86/1017009286.db2.gz AOEAJDNAVNVDLK-AZUAARDMSA-N 2 0 324.468 3.811 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](CNCc2csc(C(F)(F)F)c2)C1 ZINC000623384120 1017010715 /nfs/dbraw/zinc/01/07/15/1017010715.db2.gz POBCHINTIOURBA-NSHDSACASA-N 2 0 306.397 3.587 20 0 DHADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440718 1017051521 /nfs/dbraw/zinc/05/15/21/1017051521.db2.gz HRMJJCKPXKVKBU-DLBZAZTESA-N 2 0 304.478 3.615 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000361921340 1032155332 /nfs/dbraw/zinc/15/53/32/1032155332.db2.gz BCNQJMKUQZTWHK-MDZRGWNJSA-N 2 0 304.478 3.571 20 0 DHADRP CC[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657537762 1017231552 /nfs/dbraw/zinc/23/15/52/1017231552.db2.gz SEWLJXUZTMDGIW-PKOBYXMFSA-N 2 0 322.537 3.826 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000192805396 1017071234 /nfs/dbraw/zinc/07/12/34/1017071234.db2.gz JBJSLYYJPBDOAP-FRQCXROJSA-N 2 0 303.494 3.669 20 0 DHADRP COc1ccc([C@@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168323036 1032263764 /nfs/dbraw/zinc/26/37/64/1032263764.db2.gz NYDNYNGVDSENQW-TVPLGVNVSA-N 2 0 302.462 3.705 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001168324374 1032270120 /nfs/dbraw/zinc/27/01/20/1032270120.db2.gz MXZXBFMPOWFBEX-DAWZGUTISA-N 2 0 304.503 3.649 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324435 1032271817 /nfs/dbraw/zinc/27/18/17/1032271817.db2.gz OOLLFOXBGLJJCY-HTWSVDAQSA-N 2 0 302.462 3.705 20 0 DHADRP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CC=CCC1 ZINC000537618540 1032292473 /nfs/dbraw/zinc/29/24/73/1032292473.db2.gz BMYJREXBIZBPGK-SFHVURJKSA-N 2 0 313.489 3.976 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000119959029 1032331775 /nfs/dbraw/zinc/33/17/75/1032331775.db2.gz PUKUYVKPHWUWRE-GJZGRUSLSA-N 2 0 310.457 3.995 20 0 DHADRP Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000301656443 1017271976 /nfs/dbraw/zinc/27/19/76/1017271976.db2.gz HYNHFCYOGLYZCI-KRWDZBQOSA-N 2 0 313.376 3.990 20 0 DHADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000121212629 1032428089 /nfs/dbraw/zinc/42/80/89/1032428089.db2.gz GTILOLXTCHHOQS-IRXDYDNUSA-N 2 0 304.478 3.714 20 0 DHADRP c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000684953223 1017085150 /nfs/dbraw/zinc/08/51/50/1017085150.db2.gz DXZNCWGATRPRAV-HXUWFJFHSA-N 2 0 321.468 3.845 20 0 DHADRP CCc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)o1 ZINC000282756092 1032483232 /nfs/dbraw/zinc/48/32/32/1032483232.db2.gz ONFFNLHOZUYFFG-OAHLLOKOSA-N 2 0 313.445 3.754 20 0 DHADRP Cc1ccc([C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925144565 1017301364 /nfs/dbraw/zinc/30/13/64/1017301364.db2.gz UUVCQSHHENXWBT-DBVUQKKJSA-N 2 0 309.457 3.552 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756748 1017301986 /nfs/dbraw/zinc/30/19/86/1017301986.db2.gz OIUWHHFGOJRXOW-FUHIMQAGSA-N 2 0 315.505 3.813 20 0 DHADRP C[N@@H+](Cc1cnc(-c2ccsc2)s1)CC1CC[NH+](C)CC1 ZINC000093088953 1032522671 /nfs/dbraw/zinc/52/26/71/1032522671.db2.gz RDPBDWDUZRRYDU-UHFFFAOYSA-N 2 0 321.515 3.645 20 0 DHADRP Cc1cc(C)cc(OC[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168351238 1032549300 /nfs/dbraw/zinc/54/93/00/1032549300.db2.gz NFLOFYPZBWOUCK-KRWDZBQOSA-N 2 0 316.489 3.535 20 0 DHADRP C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925145556 1017314634 /nfs/dbraw/zinc/31/46/34/1017314634.db2.gz SENQBPGNEXVTJA-PIKADFDJSA-N 2 0 316.489 3.602 20 0 DHADRP COc1cccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)c1 ZINC000122543668 1032556354 /nfs/dbraw/zinc/55/63/54/1032556354.db2.gz LPBLWFXWGQNKLK-OXJNMPFZSA-N 2 0 324.468 3.935 20 0 DHADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1N(C)C ZINC000537643551 1032565851 /nfs/dbraw/zinc/56/58/51/1032565851.db2.gz CJTAFDPELXYDEY-QAPCUYQASA-N 2 0 305.510 3.770 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000122752361 1032570488 /nfs/dbraw/zinc/57/04/88/1032570488.db2.gz SZHOLCIEGCXJJV-SJORKVTESA-N 2 0 318.505 3.899 20 0 DHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000537646454 1032574385 /nfs/dbraw/zinc/57/43/85/1032574385.db2.gz CDZKCCKKRHYBHV-PUWPPSGDSA-N 2 0 316.489 3.523 20 0 DHADRP C[N@H+](CCCOc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000579692936 1011940454 /nfs/dbraw/zinc/94/04/54/1011940454.db2.gz HBKJTUBJTFFNJM-SJPCQFCGSA-N 2 0 322.880 3.666 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000424277767 1011970230 /nfs/dbraw/zinc/97/02/30/1011970230.db2.gz AUSUIDCWWOFGKP-ZIAGYGMSSA-N 2 0 310.869 3.731 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(Cl)c1 ZINC000424276212 1011970694 /nfs/dbraw/zinc/97/06/94/1011970694.db2.gz DIPZFJXQZKROHJ-CYBMUJFWSA-N 2 0 310.869 3.731 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC1(C)C ZINC000623542225 1017102629 /nfs/dbraw/zinc/10/26/29/1017102629.db2.gz SAQLDYKRLICACF-INIZCTEOSA-N 2 0 306.881 3.878 20 0 DHADRP C[C@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000424370400 1012013584 /nfs/dbraw/zinc/01/35/84/1012013584.db2.gz CFUNXMBHNWYQAT-HUUCEWRRSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000424370403 1012014474 /nfs/dbraw/zinc/01/44/74/1012014474.db2.gz CFUNXMBHNWYQAT-LSDHHAIUSA-N 2 0 306.881 3.908 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnc(C3CCCC3)s1)CC[NH2+]CC2 ZINC000424386515 1012017610 /nfs/dbraw/zinc/01/76/10/1012017610.db2.gz XFZLCVDEFOJAEU-CQSZACIVSA-N 2 0 319.518 3.765 20 0 DHADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000387589085 1012052967 /nfs/dbraw/zinc/05/29/67/1012052967.db2.gz FJBZUZDDMWPKEV-ZOWXZIJZSA-N 2 0 316.367 3.705 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000643546506 1012091087 /nfs/dbraw/zinc/09/10/87/1012091087.db2.gz PNSNHPNAZFZZOW-JSGCOSHPSA-N 2 0 308.466 3.873 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000643546508 1012091879 /nfs/dbraw/zinc/09/18/79/1012091879.db2.gz PNSNHPNAZFZZOW-TZMCWYRMSA-N 2 0 308.466 3.873 20 0 DHADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546095 1012092980 /nfs/dbraw/zinc/09/29/80/1012092980.db2.gz IFLAGHRWAHAIJI-RTBURBONSA-N 2 0 300.490 3.908 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666952011 1032602564 /nfs/dbraw/zinc/60/25/64/1032602564.db2.gz BVBYISLEMZBJEA-QGZVFWFLSA-N 2 0 316.445 3.786 20 0 DHADRP Clc1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)o2)cc1 ZINC000666950905 1032603015 /nfs/dbraw/zinc/60/30/15/1032603015.db2.gz PXFBNLWRNIDUSH-QGZVFWFLSA-N 2 0 316.832 3.832 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000666952010 1032603246 /nfs/dbraw/zinc/60/32/46/1032603246.db2.gz BVBYISLEMZBJEA-KRWDZBQOSA-N 2 0 316.445 3.786 20 0 DHADRP Clc1ccc(-c2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)o2)cc1 ZINC000666950904 1032603681 /nfs/dbraw/zinc/60/36/81/1032603681.db2.gz PXFBNLWRNIDUSH-KRWDZBQOSA-N 2 0 316.832 3.832 20 0 DHADRP CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000124157926 1012214365 /nfs/dbraw/zinc/21/43/65/1012214365.db2.gz ZCDZPNZCLNFRBT-JXFKEZNVSA-N 2 0 312.432 3.847 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411775 1032613624 /nfs/dbraw/zinc/61/36/24/1032613624.db2.gz OCHJNFHHOAMCGJ-SFHVURJKSA-N 2 0 318.480 3.785 20 0 DHADRP CC(C)(C)C[NH+]1CCC([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411618 1032614018 /nfs/dbraw/zinc/61/40/18/1032614018.db2.gz KLYSPMGAWGHUKX-KRWDZBQOSA-N 2 0 318.480 3.783 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171412000 1032616450 /nfs/dbraw/zinc/61/64/50/1032616450.db2.gz QMGAHGDOFBXBQE-ADKAHSJRSA-N 2 0 318.480 3.926 20 0 DHADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171412288 1032618866 /nfs/dbraw/zinc/61/88/66/1032618866.db2.gz UYPZZRDXJCVOSO-GOSISDBHSA-N 2 0 318.480 3.641 20 0 DHADRP C[NH+](C)CC1(C[NH+]2CCC3(CCC(C)(C)O3)CC2)CCCC1 ZINC001208187731 1012361913 /nfs/dbraw/zinc/36/19/13/1012361913.db2.gz OCSWUIDSVIKILQ-UHFFFAOYSA-N 2 0 308.510 3.532 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171419459 1032626694 /nfs/dbraw/zinc/62/66/94/1032626694.db2.gz QMGAHGDOFBXBQE-BZSNNMDCSA-N 2 0 318.480 3.926 20 0 DHADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000425332363 1012461014 /nfs/dbraw/zinc/46/10/14/1012461014.db2.gz BGOMUFORMDUSAX-MSOLQXFVSA-N 2 0 304.503 3.656 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(Sc3ccccc3)CC2)C1 ZINC001208618137 1012484584 /nfs/dbraw/zinc/48/45/84/1012484584.db2.gz RZMJJWJICRWYBT-MRXNPFEDSA-N 2 0 304.503 3.585 20 0 DHADRP CS[C@@H]1CC[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000425370330 1012504403 /nfs/dbraw/zinc/50/44/03/1012504403.db2.gz NWXBDFNNMDKVEC-IAGOWNOFSA-N 2 0 304.503 3.525 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000537946684 1012545246 /nfs/dbraw/zinc/54/52/46/1012545246.db2.gz PUHJREGDDVZVGG-HNAYVOBHSA-N 2 0 304.453 3.771 20 0 DHADRP CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000515075102 1012550960 /nfs/dbraw/zinc/55/09/60/1012550960.db2.gz DQPMLNQEUSWYFU-IBGZPJMESA-N 2 0 316.489 3.720 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261929660 1012610188 /nfs/dbraw/zinc/61/01/88/1012610188.db2.gz LKXSIARJPZLGAJ-XYPWUTKMSA-N 2 0 312.379 3.729 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000425945895 1012990397 /nfs/dbraw/zinc/99/03/97/1012990397.db2.gz MNYKEHPCMDEADM-KGLIPLIRSA-N 2 0 312.885 3.976 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000517567802 1013015382 /nfs/dbraw/zinc/01/53/82/1013015382.db2.gz SDGBXXBJTTUJHW-JKSUJKDBSA-N 2 0 312.457 3.886 20 0 DHADRP Fc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000537696320 1032676692 /nfs/dbraw/zinc/67/66/92/1032676692.db2.gz GYSSHABFSGTNKA-KSSFIOAISA-N 2 0 322.855 3.928 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCOc3c4ccccc4ccc32)CC1 ZINC000366691965 1013044750 /nfs/dbraw/zinc/04/47/50/1013044750.db2.gz CLFBAUTZUNMPQF-FQEVSTJZSA-N 2 0 322.452 3.905 20 0 DHADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000623679331 1017167705 /nfs/dbraw/zinc/16/77/05/1017167705.db2.gz RSLCJESOFTWGAO-OKYOBFRVSA-N 2 0 308.510 3.577 20 0 DHADRP CC1(C)CCC[C@@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657535160 1017215624 /nfs/dbraw/zinc/21/56/24/1017215624.db2.gz GZTZICJHJKFLDG-GOSISDBHSA-N 2 0 322.537 3.683 20 0 DHADRP COc1cccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1F ZINC000192708535 1017297153 /nfs/dbraw/zinc/29/71/53/1017297153.db2.gz QEDGLFFIICTRKS-HOCLYGCPSA-N 2 0 320.452 3.577 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000716296000 1032691105 /nfs/dbraw/zinc/69/11/05/1032691105.db2.gz UGRFTWSUQFQPHB-YPMHNXCESA-N 2 0 301.261 3.608 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000643498890 1032691087 /nfs/dbraw/zinc/69/10/87/1032691087.db2.gz SAIYUEZYQRQWAV-CYBMUJFWSA-N 2 0 302.384 3.616 20 0 DHADRP FC1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCC1 ZINC000716655860 1032698686 /nfs/dbraw/zinc/69/86/86/1032698686.db2.gz OSZIYIKSVLUOFG-FHWLQOOXSA-N 2 0 316.464 3.911 20 0 DHADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812625 1017422742 /nfs/dbraw/zinc/42/27/42/1017422742.db2.gz BPZHNMABJYIGJK-INIZCTEOSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)CC[N@@H+]1C ZINC000180412296 1017440682 /nfs/dbraw/zinc/44/06/82/1017440682.db2.gz ULUXPIQXZLPVIH-XLIONFOSSA-N 2 0 324.468 3.838 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)CC[N@@H+]1C ZINC000180412281 1017441320 /nfs/dbraw/zinc/44/13/20/1017441320.db2.gz ULUXPIQXZLPVIH-FXAWDEMLSA-N 2 0 324.468 3.838 20 0 DHADRP CCSCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680881 1032702015 /nfs/dbraw/zinc/70/20/15/1032702015.db2.gz IAOGVIOPWJAHKU-OTWHNJEPSA-N 2 0 318.530 3.772 20 0 DHADRP CC(F)(F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677567 1032702472 /nfs/dbraw/zinc/70/24/72/1032702472.db2.gz GDJMVPFBBZGUED-BBWFWOEESA-N 2 0 308.416 3.674 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000173374836 1032702674 /nfs/dbraw/zinc/70/26/74/1032702674.db2.gz LZKUGQZDAOSOCQ-OAHLLOKOSA-N 2 0 322.518 3.560 20 0 DHADRP CC(F)(F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677568 1032703484 /nfs/dbraw/zinc/70/34/84/1032703484.db2.gz GDJMVPFBBZGUED-ULQDDVLXSA-N 2 0 308.416 3.674 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)CC1(C)C ZINC000623821888 1017522724 /nfs/dbraw/zinc/52/27/24/1017522724.db2.gz KQODNFCXODVNQG-HNNXBMFYSA-N 2 0 314.395 3.754 20 0 DHADRP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000623878768 1017549001 /nfs/dbraw/zinc/54/90/01/1017549001.db2.gz PEYMDDZXRMOGGP-ZDUSSCGKSA-N 2 0 313.283 3.750 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000623867282 1017556422 /nfs/dbraw/zinc/55/64/22/1017556422.db2.gz WHTKVBLKVBRIMZ-APWZRJJASA-N 2 0 304.478 3.576 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)C1 ZINC000623867163 1017557315 /nfs/dbraw/zinc/55/73/15/1017557315.db2.gz SAOVKKFJKURKPX-NWDGAFQWSA-N 2 0 318.358 3.837 20 0 DHADRP CC(C)c1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000623891377 1017572863 /nfs/dbraw/zinc/57/28/63/1017572863.db2.gz KVTWGFPJDBRANU-YLJYHZDGSA-N 2 0 318.505 3.698 20 0 DHADRP CC[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657613145 1017574289 /nfs/dbraw/zinc/57/42/89/1017574289.db2.gz WRMMIOKKXIIOCZ-XLIONFOSSA-N 2 0 315.505 3.852 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454612 1032714931 /nfs/dbraw/zinc/71/49/31/1032714931.db2.gz VVXRIJFEFAFAMJ-OAHLLOKOSA-N 2 0 322.443 3.802 20 0 DHADRP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444623578 1017599442 /nfs/dbraw/zinc/59/94/42/1017599442.db2.gz YJSVFLOCNJXKRG-AZUAARDMSA-N 2 0 300.490 3.816 20 0 DHADRP C[C@@H]([NH2+]CC1CCc2ccccc2CC1)C1CC[NH+](C)CC1 ZINC000624039133 1017654242 /nfs/dbraw/zinc/65/42/42/1017654242.db2.gz BVWTWIMMJWUKFU-MRXNPFEDSA-N 2 0 300.490 3.502 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120732 1017691660 /nfs/dbraw/zinc/69/16/60/1017691660.db2.gz FTQJGLOAAIROID-HIFRSBDPSA-N 2 0 309.523 3.957 20 0 DHADRP COc1ccc([C@H]2C[C@@H](C)C[N@@H+]2CCCn2ccnc2C)cc1 ZINC000367168332 1017704591 /nfs/dbraw/zinc/70/45/91/1017704591.db2.gz PTRSYJWQOVWRQO-DNVCBOLYSA-N 2 0 313.445 3.673 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1OCC ZINC000181398908 1017748656 /nfs/dbraw/zinc/74/86/56/1017748656.db2.gz YORZABKUFQCKAQ-DOTOQJQBSA-N 2 0 320.477 3.619 20 0 DHADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C12CCC2 ZINC000181626339 1017776168 /nfs/dbraw/zinc/77/61/68/1017776168.db2.gz XRUYRWJBPGIVPL-OALUTQOASA-N 2 0 320.521 3.578 20 0 DHADRP CC(C)Oc1cccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523863065 1017810816 /nfs/dbraw/zinc/81/08/16/1017810816.db2.gz IGCVXYCKORATGB-SFHVURJKSA-N 2 0 306.494 3.930 20 0 DHADRP C[C@H](C[NH2+]Cc1cccc(Cn2ccnc2)c1)Cc1ccccc1 ZINC000182052453 1017853316 /nfs/dbraw/zinc/85/33/16/1017853316.db2.gz NGOXRJWLCVMHSD-SFHVURJKSA-N 2 0 319.452 3.900 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445470429 1017868299 /nfs/dbraw/zinc/86/82/99/1017868299.db2.gz KOOSHFGDPAEBQD-SJORKVTESA-N 2 0 300.490 3.900 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCOC1 ZINC000121634240 1017912111 /nfs/dbraw/zinc/91/21/11/1017912111.db2.gz MILUMBBCSBKTGH-XLIONFOSSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2C2CC2)C[C@H](C)O1 ZINC000674334584 1017954085 /nfs/dbraw/zinc/95/40/85/1017954085.db2.gz YIUGXDXFUFXOLX-IRXDYDNUSA-N 2 0 316.489 3.543 20 0 DHADRP CCc1ccccc1C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000445809631 1017979063 /nfs/dbraw/zinc/97/90/63/1017979063.db2.gz IEFZAZXPIMDTOM-UHFFFAOYSA-N 2 0 318.505 3.572 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(CO)c1 ZINC000183216355 1018002200 /nfs/dbraw/zinc/00/22/00/1018002200.db2.gz AXCDMHIKFXASNE-KRWDZBQOSA-N 2 0 324.468 3.626 20 0 DHADRP CCCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067683 1018022169 /nfs/dbraw/zinc/02/21/69/1018022169.db2.gz PBEDPWCWZUCSCP-UYAOXDASSA-N 2 0 322.537 3.826 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658093276 1018069098 /nfs/dbraw/zinc/06/90/98/1018069098.db2.gz UEMUIEADAOWOMN-INMHGKMJSA-N 2 0 304.478 3.650 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000123648020 1018097215 /nfs/dbraw/zinc/09/72/15/1018097215.db2.gz FRLGDOFMBOUXST-FQEVSTJZSA-N 2 0 324.468 3.924 20 0 DHADRP C[C@H](c1ccccc1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245386851 1018148654 /nfs/dbraw/zinc/14/86/54/1018148654.db2.gz RAJDYECEYIHHTQ-FGTMMUONSA-N 2 0 316.489 3.569 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000126377146 1018187484 /nfs/dbraw/zinc/18/74/84/1018187484.db2.gz GMDSNPSJRUGPHV-OAHLLOKOSA-N 2 0 310.894 3.808 20 0 DHADRP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000525180959 1018195249 /nfs/dbraw/zinc/19/52/49/1018195249.db2.gz SMMORDHRQFVLKU-FUHWJXTLSA-N 2 0 304.478 3.685 20 0 DHADRP C[C@@H](CC1CCCC1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168747 1018200620 /nfs/dbraw/zinc/20/06/20/1018200620.db2.gz YJRWWXZNGYAODT-KRWDZBQOSA-N 2 0 315.505 3.852 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000040621162 1018219430 /nfs/dbraw/zinc/21/94/30/1018219430.db2.gz PWRYHUQOOQKDMW-CQSZACIVSA-N 2 0 300.368 3.525 20 0 DHADRP CC1([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000841065335 1018230048 /nfs/dbraw/zinc/23/00/48/1018230048.db2.gz ODFXNFBZWQUMDM-UHFFFAOYSA-N 2 0 304.381 3.530 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446741916 1018231019 /nfs/dbraw/zinc/23/10/19/1018231019.db2.gz CRMYFERMXXKPRY-WOJBJXKFSA-N 2 0 318.505 3.549 20 0 DHADRP COC[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC000446755229 1018237979 /nfs/dbraw/zinc/23/79/79/1018237979.db2.gz ZCFOJZWAFLWWBK-ZIFCJYIRSA-N 2 0 310.526 3.539 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000446761405 1018246565 /nfs/dbraw/zinc/24/65/65/1018246565.db2.gz YCHDHJSOHQVEEO-UHFFFAOYSA-N 2 0 312.860 3.733 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446816804 1018253812 /nfs/dbraw/zinc/25/38/12/1018253812.db2.gz DYKQKPQODLPRAN-FCEWJHQRSA-N 2 0 322.468 3.756 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000360025394 1018277358 /nfs/dbraw/zinc/27/73/58/1018277358.db2.gz TXYFNRGAMDUWHK-INIZCTEOSA-N 2 0 304.478 3.685 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000447019798 1018317304 /nfs/dbraw/zinc/31/73/04/1018317304.db2.gz DEIHMJQNLSFBHN-SFHVURJKSA-N 2 0 308.416 3.880 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000222937127 1032759608 /nfs/dbraw/zinc/75/96/08/1032759608.db2.gz YNMSGNIYLNUFRX-KFWWJZLASA-N 2 0 311.267 3.760 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000764826239 1018394110 /nfs/dbraw/zinc/39/41/10/1018394110.db2.gz BMQHGJPJDIYIGJ-QGZVFWFLSA-N 2 0 318.505 3.726 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000447572867 1018420830 /nfs/dbraw/zinc/42/08/30/1018420830.db2.gz PSZHQPRYXVGTMH-IBGZPJMESA-N 2 0 302.462 3.610 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447573292 1018422140 /nfs/dbraw/zinc/42/21/40/1018422140.db2.gz GQTIRMLETKZWBY-NRFANRHFSA-N 2 0 324.443 3.961 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000764966009 1018442876 /nfs/dbraw/zinc/44/28/76/1018442876.db2.gz XLDXKOVEKFXUDS-HUUCEWRRSA-N 2 0 309.885 3.898 20 0 DHADRP c1coc(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000658325250 1018475938 /nfs/dbraw/zinc/47/59/38/1018475938.db2.gz LCZQBEGNBPQYJV-ACDBMABISA-N 2 0 324.468 3.997 20 0 DHADRP C[C@@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000447794967 1018476017 /nfs/dbraw/zinc/47/60/17/1018476017.db2.gz LGZODJNKXBUUIY-SFHVURJKSA-N 2 0 300.490 3.988 20 0 DHADRP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000447822526 1018477967 /nfs/dbraw/zinc/47/79/67/1018477967.db2.gz QDDFCYQZJGPYJM-FPOVZHCZSA-N 2 0 322.496 3.944 20 0 DHADRP C[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000447822525 1018478501 /nfs/dbraw/zinc/47/85/01/1018478501.db2.gz QDDFCYQZJGPYJM-CTNGQTDRSA-N 2 0 322.496 3.944 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+]CCCc1c(F)cccc1Cl ZINC000447822224 1018478529 /nfs/dbraw/zinc/47/85/29/1018478529.db2.gz PEVNNRZDHVREBP-UHFFFAOYSA-N 2 0 300.849 3.732 20 0 DHADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000447899098 1018499576 /nfs/dbraw/zinc/49/95/76/1018499576.db2.gz QJPOEFPPHGNJLH-MCIONIFRSA-N 2 0 306.416 3.818 20 0 DHADRP CSc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000635010452 1018512566 /nfs/dbraw/zinc/51/25/66/1018512566.db2.gz LLJJIPKJGRXQKH-CQSZACIVSA-N 2 0 312.482 3.905 20 0 DHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000650705237 1018517203 /nfs/dbraw/zinc/51/72/03/1018517203.db2.gz AEQFIOKXOADDFI-NJYVYQBISA-N 2 0 324.468 3.558 20 0 DHADRP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000527115981 1018519273 /nfs/dbraw/zinc/51/92/73/1018519273.db2.gz SPGQGMCPURAYRS-QGZVFWFLSA-N 2 0 318.505 3.823 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@@H]1CC[NH3+] ZINC000650710990 1018530368 /nfs/dbraw/zinc/53/03/68/1018530368.db2.gz FGWWPKBRZOXEQT-OXQOHEQNSA-N 2 0 309.457 3.698 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000650712350 1018542579 /nfs/dbraw/zinc/54/25/79/1018542579.db2.gz BGLMQSKDWWEBKP-UHFFFAOYSA-N 2 0 304.434 3.773 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000650712781 1018545515 /nfs/dbraw/zinc/54/55/15/1018545515.db2.gz UEPDKOWJRBTPMR-UHFFFAOYSA-N 2 0 304.434 3.773 20 0 DHADRP Cc1nccnc1[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000527349124 1018552257 /nfs/dbraw/zinc/55/22/57/1018552257.db2.gz JRVVRUJUWKWBMB-KRWDZBQOSA-N 2 0 324.472 3.622 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000650720441 1018565459 /nfs/dbraw/zinc/56/54/59/1018565459.db2.gz PLZUTZSSZXCYSW-UHFFFAOYSA-N 2 0 314.376 3.776 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000675733762 1018567592 /nfs/dbraw/zinc/56/75/92/1018567592.db2.gz LIOJLWPPJJLOFB-QUCCMNQESA-N 2 0 300.490 3.862 20 0 DHADRP CC(C)CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000675739991 1018569956 /nfs/dbraw/zinc/56/99/56/1018569956.db2.gz ZPYPLADCRRJFOL-HKUYNNGSSA-N 2 0 323.569 3.595 20 0 DHADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000675787194 1018592512 /nfs/dbraw/zinc/59/25/12/1018592512.db2.gz ZUCWPLJETGCJGB-UXHICEINSA-N 2 0 318.505 3.693 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000675818748 1018601144 /nfs/dbraw/zinc/60/11/44/1018601144.db2.gz KRCJIMACSQLZLH-HZPDHXFCSA-N 2 0 304.478 3.509 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(F)nc1C ZINC000278356827 1018604365 /nfs/dbraw/zinc/60/43/65/1018604365.db2.gz IUJMZQODRVLTAH-UHFFFAOYSA-N 2 0 315.436 3.661 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000675927093 1018627761 /nfs/dbraw/zinc/62/77/61/1018627761.db2.gz KWEFFGSNTZHFOU-LVCYWYKZSA-N 2 0 323.484 3.685 20 0 DHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745986 1018644560 /nfs/dbraw/zinc/64/45/60/1018644560.db2.gz SUHBJHREODESPW-AWEZNQCLSA-N 2 0 312.910 3.929 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000705344994 1018649002 /nfs/dbraw/zinc/64/90/02/1018649002.db2.gz XICGQIRPKYJLCL-VQTJNVASSA-N 2 0 300.490 3.923 20 0 DHADRP CCCCc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168356322 1032777108 /nfs/dbraw/zinc/77/71/08/1032777108.db2.gz ONRRAMSHJLMCSY-UHFFFAOYSA-N 2 0 300.490 3.993 20 0 DHADRP Fc1cccc(C2CC([NH2+]CC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000278406476 1018662603 /nfs/dbraw/zinc/66/26/03/1018662603.db2.gz HEBRBNYHKUGUIQ-UHFFFAOYSA-N 2 0 302.437 3.536 20 0 DHADRP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650752788 1018668168 /nfs/dbraw/zinc/66/81/68/1018668168.db2.gz AMXRZGSTRYIERR-MRXNPFEDSA-N 2 0 302.393 3.681 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000650758170 1018694640 /nfs/dbraw/zinc/69/46/40/1018694640.db2.gz KQOAUZSVONRQED-SFHVURJKSA-N 2 0 314.404 3.549 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000650758169 1018694737 /nfs/dbraw/zinc/69/47/37/1018694737.db2.gz KQOAUZSVONRQED-GOSISDBHSA-N 2 0 314.404 3.549 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000650759666 1018697811 /nfs/dbraw/zinc/69/78/11/1018697811.db2.gz NTQSXAMCAQYNLU-ZDUSSCGKSA-N 2 0 320.383 3.858 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000650763687 1018711672 /nfs/dbraw/zinc/71/16/72/1018711672.db2.gz GZNGCPVSNPHNKB-MRXNPFEDSA-N 2 0 309.457 3.789 20 0 DHADRP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763668 1018712166 /nfs/dbraw/zinc/71/21/66/1018712166.db2.gz GRYLMPHUQOKNLA-OAHLLOKOSA-N 2 0 313.272 3.960 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000650764092 1018712965 /nfs/dbraw/zinc/71/29/65/1018712965.db2.gz QEBYOFWWPOGEEP-GFCCVEGCSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764295 1018713571 /nfs/dbraw/zinc/71/35/71/1018713571.db2.gz VGNRLQCPKDDSIJ-ZDUSSCGKSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764387 1018714794 /nfs/dbraw/zinc/71/47/94/1018714794.db2.gz XISDFTJUEFLEGM-LBPRGKRZSA-N 2 0 309.523 3.789 20 0 DHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764022 1018715035 /nfs/dbraw/zinc/71/50/35/1018715035.db2.gz ONUIPKJJIJUQKQ-CYBMUJFWSA-N 2 0 310.869 3.779 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000131258862 1018724403 /nfs/dbraw/zinc/72/44/03/1018724403.db2.gz CQQIRJWWSUYXAK-GOSISDBHSA-N 3 0 323.569 3.884 20 0 DHADRP Cc1ccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000156239214 1018733113 /nfs/dbraw/zinc/73/31/13/1018733113.db2.gz DPVVPCKHVRVXRW-IRXDYDNUSA-N 2 0 323.484 3.636 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000353407866 1018751832 /nfs/dbraw/zinc/75/18/32/1018751832.db2.gz SSDPZUWHZRBJND-PKSQDBQZSA-N 2 0 300.368 3.627 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@@H](C)C1 ZINC000624267252 1018771429 /nfs/dbraw/zinc/77/14/29/1018771429.db2.gz HHRRFDGRHBYLRZ-QFBILLFUSA-N 2 0 309.457 3.569 20 0 DHADRP COc1ccc2c(NC3CC[NH+](CC4CC4)CC3)cc[nH+]c2c1 ZINC000765470416 1018798335 /nfs/dbraw/zinc/79/83/35/1018798335.db2.gz KKGUYOIASRJOAE-UHFFFAOYSA-N 2 0 311.429 3.530 20 0 DHADRP c1ccc(C[NH+]2CCC(Nc3ccc4c[nH+]ccc4c3)CC2)nc1 ZINC000168466313 1018798883 /nfs/dbraw/zinc/79/88/83/1018798883.db2.gz MCVAUCCVCGLZTR-UHFFFAOYSA-N 2 0 318.424 3.706 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000657813722 1018799863 /nfs/dbraw/zinc/79/98/63/1018799863.db2.gz YQEBDBNVFCLXDH-OWOJBTEDSA-N 2 0 320.427 3.690 20 0 DHADRP CCOc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000657815264 1018824338 /nfs/dbraw/zinc/82/43/38/1018824338.db2.gz OCOSDTUKJMGATR-UHFFFAOYSA-N 2 0 316.489 3.605 20 0 DHADRP Fc1ccc(/C=C\C[NH+]2CCC(n3ccnc3)CC2)c(F)c1 ZINC000349971996 1018829351 /nfs/dbraw/zinc/82/93/51/1018829351.db2.gz SIZWZEADZXYGQH-UPHRSURJSA-N 2 0 303.356 3.512 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)CC(F)F ZINC000647318497 1018835895 /nfs/dbraw/zinc/83/58/95/1018835895.db2.gz QJWAFQYOGQLMDA-DZKIICNBSA-N 2 0 302.453 3.910 20 0 DHADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(F)cc1Br ZINC000710804243 1018852032 /nfs/dbraw/zinc/85/20/32/1018852032.db2.gz MHZCFSMXUQOWSG-UHFFFAOYSA-N 2 0 317.246 3.539 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000158592395 1018860208 /nfs/dbraw/zinc/86/02/08/1018860208.db2.gz SQOGUWCSALNNOO-XHSDSOJGSA-N 2 0 307.457 3.629 20 0 DHADRP FC1(F)CCC[NH+](C/C=C\C[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770682 1018911365 /nfs/dbraw/zinc/91/13/65/1018911365.db2.gz OGTLDWMFMAWSRI-UPHRSURJSA-N 2 0 322.390 3.785 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921531255 1018941243 /nfs/dbraw/zinc/94/12/43/1018941243.db2.gz BLFQPQQVHBJFBB-CYBMUJFWSA-N 2 0 324.900 3.685 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921537093 1018956811 /nfs/dbraw/zinc/95/68/11/1018956811.db2.gz UZDYLPSSFGYLLQ-CYBMUJFWSA-N 2 0 324.900 3.542 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)c1 ZINC001168684017 1018963193 /nfs/dbraw/zinc/96/31/93/1018963193.db2.gz CNPIIVWEXAXTIN-KRWDZBQOSA-N 2 0 314.860 3.659 20 0 DHADRP C[C@H]([NH3+])c1nc2ccccc2n1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613438 1032799360 /nfs/dbraw/zinc/79/93/60/1032799360.db2.gz JQKYNWQDSKYQGT-ZDUSSCGKSA-N 2 0 314.477 3.880 20 0 DHADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657833589 1018999762 /nfs/dbraw/zinc/99/97/62/1018999762.db2.gz HHKGQOQUPARDCS-FUHWJXTLSA-N 2 0 312.501 3.570 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168689707 1019009454 /nfs/dbraw/zinc/00/94/54/1019009454.db2.gz IRAOVAYSTKBKEK-HOCLYGCPSA-N 2 0 308.897 3.907 20 0 DHADRP C[N@H+](Cc1csc(-c2ccsc2)n1)C1CCC([NH3+])CC1 ZINC000091846665 1019012774 /nfs/dbraw/zinc/01/27/74/1019012774.db2.gz DREJGTVJMPTNBG-UHFFFAOYSA-N 2 0 307.488 3.573 20 0 DHADRP C[C@H](c1ccccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584232562 1019037086 /nfs/dbraw/zinc/03/70/86/1019037086.db2.gz ZJNVRNYOQCICEJ-CJNGLKHVSA-N 2 0 323.278 3.586 20 0 DHADRP CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000387107272 1019045816 /nfs/dbraw/zinc/04/58/16/1019045816.db2.gz YGOQLRNKFMMFRD-KRWDZBQOSA-N 2 0 304.478 3.830 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000387123833 1019047354 /nfs/dbraw/zinc/04/73/54/1019047354.db2.gz IDVCTUXYAHIXOS-CYBMUJFWSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccncc2s1 ZINC000657839496 1019091301 /nfs/dbraw/zinc/09/13/01/1019091301.db2.gz AEKKCEGYRUSCIS-QEJZJMRPSA-N 2 0 301.459 3.574 20 0 DHADRP Cc1sccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708514929 1019098632 /nfs/dbraw/zinc/09/86/32/1019098632.db2.gz WBNJJURGLVUQOR-KXBFYZLASA-N 2 0 314.498 3.914 20 0 DHADRP Cc1cccnc1[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000923328975 1019129177 /nfs/dbraw/zinc/12/91/77/1019129177.db2.gz YUWNMBVCQJVZJW-HQSKLWIPSA-N 2 0 301.478 3.597 20 0 DHADRP Cc1nc(C)c([C@H](C)[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000923322483 1019131861 /nfs/dbraw/zinc/13/18/61/1019131861.db2.gz LUEQDRDUBPFVJE-WWTUQBGBSA-N 2 0 307.507 3.673 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]C[C@H]2CCc3ccccc32)CC1(C)C ZINC001171627549 1032810459 /nfs/dbraw/zinc/81/04/59/1032810459.db2.gz WEGQZNCTKVOGMX-MRXNPFEDSA-N 2 0 300.490 3.957 20 0 DHADRP CC(C)CC1([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CCOCC1 ZINC001171626879 1032811155 /nfs/dbraw/zinc/81/11/55/1032811155.db2.gz FQWXAYLWZMWHNS-UHFFFAOYSA-N 2 0 310.526 3.823 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c3cccnc23)[C@H](C)C1 ZINC000081095562 1019160219 /nfs/dbraw/zinc/16/02/19/1019160219.db2.gz ADONIFXCBBDCGD-RDTXWAMCSA-N 2 0 315.436 3.536 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC(C)(C)c2ncccc2F)CC1(C)C ZINC001171627524 1032811370 /nfs/dbraw/zinc/81/13/70/1032811370.db2.gz UPTXCJKSERCZKJ-UHFFFAOYSA-N 2 0 321.484 3.739 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000656497565 1019204166 /nfs/dbraw/zinc/20/41/66/1019204166.db2.gz JSJNTYZYMKWTHV-FQEVSTJZSA-N 2 0 307.441 3.636 20 0 DHADRP Cc1cc(C)c([C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923451154 1019211232 /nfs/dbraw/zinc/21/12/32/1019211232.db2.gz YZKWHSVAMKPQNH-ROUUACIJSA-N 2 0 316.489 3.503 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171662978 1032819943 /nfs/dbraw/zinc/81/99/43/1032819943.db2.gz GRQLPKYTWYLMTJ-GOSISDBHSA-N 2 0 323.484 3.970 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCC1 ZINC000657855960 1019283610 /nfs/dbraw/zinc/28/36/10/1019283610.db2.gz KHTQSOOGTYCSTL-INIZCTEOSA-N 2 0 304.478 3.574 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000315562528 1019318611 /nfs/dbraw/zinc/31/86/11/1019318611.db2.gz JKRPEYAVIQNDIL-SFHVURJKSA-N 2 0 304.478 3.576 20 0 DHADRP CC1(C)C[C@@H]([NH2+]CCC2(F)CCC2)CN1Cc1ccccc1 ZINC000672616940 1019320033 /nfs/dbraw/zinc/32/00/33/1019320033.db2.gz QHAONRIXDMUPQM-QGZVFWFLSA-N 2 0 304.453 3.911 20 0 DHADRP CC1CC[NH+](CCCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000486976636 1019354972 /nfs/dbraw/zinc/35/49/72/1019354972.db2.gz ZJKHVCMWFOGAOK-UHFFFAOYSA-N 2 0 307.507 3.622 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Oc1ccccc1 ZINC000089722442 1019361103 /nfs/dbraw/zinc/36/11/03/1019361103.db2.gz AYDBAAIFNDOKPD-QGZVFWFLSA-N 2 0 316.489 3.841 20 0 DHADRP COC1([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000657860124 1019373702 /nfs/dbraw/zinc/37/37/02/1019373702.db2.gz BDTDUWWKRMXLJZ-HNNXBMFYSA-N 2 0 322.518 3.507 20 0 DHADRP Cc1ccc(CC[C@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171666321 1032824256 /nfs/dbraw/zinc/82/42/56/1032824256.db2.gz VYFLBPHMVYNEPD-SFHVURJKSA-N 2 0 309.457 3.533 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000926566440 1019445342 /nfs/dbraw/zinc/44/53/42/1019445342.db2.gz ZVYPVNQHOSGHIW-GOSISDBHSA-N 2 0 317.521 3.893 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000161653945 1019485790 /nfs/dbraw/zinc/48/57/90/1019485790.db2.gz DLZFWHAWCMAUMT-IBGZPJMESA-N 2 0 318.505 3.726 20 0 DHADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C12CCC2 ZINC000453064695 1019507771 /nfs/dbraw/zinc/50/77/71/1019507771.db2.gz UGCXHWVWJDUMBE-RTBURBONSA-N 2 0 316.489 3.574 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092766911 1019546312 /nfs/dbraw/zinc/54/63/12/1019546312.db2.gz LAQGRXPFCSSUAB-OAHLLOKOSA-N 2 0 307.457 3.629 20 0 DHADRP CCc1ccc(C2=CC[N@H+](CCCn3ccnc3C)CC2)cc1 ZINC000093263460 1019573423 /nfs/dbraw/zinc/57/34/23/1019573423.db2.gz UDAYMSDBZCTPCE-UHFFFAOYSA-N 2 0 309.457 3.933 20 0 DHADRP [NH3+]CCc1cn([C@H]2Cc3cccc(Cl)c3C2)c2cc[nH+]cc12 ZINC001168703305 1019583694 /nfs/dbraw/zinc/58/36/94/1019583694.db2.gz CIIKJVOANXNHGN-AWEZNQCLSA-N 2 0 311.816 3.531 20 0 DHADRP C[C@H]1C[C@H](n2ccc3ccc(C[NH3+])cc32)C[N@@H+]1Cc1ccccc1 ZINC001171725587 1032841597 /nfs/dbraw/zinc/84/15/97/1032841597.db2.gz MWMHSTAGZPLFPG-JXFKEZNVSA-N 2 0 319.452 3.936 20 0 DHADRP C[C@@H]1C[C@@H](n2ccc3ccc(C[NH3+])cc32)C[N@@H+]1Cc1ccccc1 ZINC001171725589 1032842709 /nfs/dbraw/zinc/84/27/09/1032842709.db2.gz MWMHSTAGZPLFPG-OXQOHEQNSA-N 2 0 319.452 3.936 20 0 DHADRP C[NH+](C)CCCC1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000347558378 1019660127 /nfs/dbraw/zinc/66/01/27/1019660127.db2.gz BVWNUGNNPWLYLP-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP Cc1cc2[nH]c(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2c(C)c1 ZINC000143932880 1019670819 /nfs/dbraw/zinc/67/08/19/1019670819.db2.gz CLSSSOQTURVPBB-ZNXRZULTSA-N 2 0 311.473 3.890 20 0 DHADRP COCCC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000282218191 1019679796 /nfs/dbraw/zinc/67/97/96/1019679796.db2.gz HUMJILOOSCFWMW-FHWLQOOXSA-N 2 0 322.468 3.756 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657873426 1019693266 /nfs/dbraw/zinc/69/32/66/1019693266.db2.gz XQSVOWYMUSFWDP-AWEZNQCLSA-N 2 0 301.434 3.600 20 0 DHADRP COC1([C@@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)CCC1 ZINC000657882697 1019739600 /nfs/dbraw/zinc/73/96/00/1019739600.db2.gz UXFHKQLQBNMUPJ-HZPDHXFCSA-N 2 0 304.478 3.663 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685421359 1019806213 /nfs/dbraw/zinc/80/62/13/1019806213.db2.gz VPQAZQPPUMLNGZ-KBPBESRZSA-N 2 0 314.395 3.740 20 0 DHADRP CCCN(CCC[NH+](C)C)Cc1cc(Br)cs1 ZINC000685462727 1019842520 /nfs/dbraw/zinc/84/25/20/1019842520.db2.gz WNVJHIPVTGVOHW-UHFFFAOYSA-N 2 0 319.312 3.674 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC(C)(C)COC)CC1)CC(C)C ZINC000685462642 1019844969 /nfs/dbraw/zinc/84/49/69/1019844969.db2.gz OCWFSLFFCNQNLZ-UHFFFAOYSA-N 2 0 312.542 3.739 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCCCCOc2ccccc2)C1 ZINC000685470737 1019856594 /nfs/dbraw/zinc/85/65/94/1019856594.db2.gz NOGXEVKXRDNRGT-AZUAARDMSA-N 2 0 316.489 3.652 20 0 DHADRP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000671739656 1019871409 /nfs/dbraw/zinc/87/14/09/1019871409.db2.gz NOTVAWOSGYFUSU-AQNXPRMDSA-N 2 0 300.490 3.698 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC000708563979 1019881889 /nfs/dbraw/zinc/88/18/89/1019881889.db2.gz RBKIUFGFGQXFFC-FXAWDEMLSA-N 2 0 300.490 3.924 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)CCN1Cc1ccccc1 ZINC000657901228 1019893717 /nfs/dbraw/zinc/89/37/17/1019893717.db2.gz PNRWOPDYURMQSH-RDJZCZTQSA-N 2 0 322.443 3.717 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(C)o1 ZINC000067506532 1019985717 /nfs/dbraw/zinc/98/57/17/1019985717.db2.gz LVAWUVQZMKEHOL-OAHLLOKOSA-N 2 0 316.445 3.688 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657966746 1020043633 /nfs/dbraw/zinc/04/36/33/1020043633.db2.gz IUSBKTCWHZJKLG-QXAKKESOSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C(F)F ZINC000657998023 1020077713 /nfs/dbraw/zinc/07/77/13/1020077713.db2.gz IEFZYOFWGUUZAF-GOEBONIOSA-N 2 0 310.432 3.778 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2ccncc2s1 ZINC000658027919 1020089392 /nfs/dbraw/zinc/08/93/92/1020089392.db2.gz AFUHPNUHYHSBQR-PRTUASRFSA-N 2 0 301.459 3.572 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658030429 1020095312 /nfs/dbraw/zinc/09/53/12/1020095312.db2.gz YPZCFIQWQRDRMW-CSNJMZFVSA-N 2 0 306.881 3.876 20 0 DHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc2cnccc2o1 ZINC000658024467 1020096247 /nfs/dbraw/zinc/09/62/47/1020096247.db2.gz VBUPVGZQXATWBF-HNNXBMFYSA-N 2 0 301.434 3.745 20 0 DHADRP C[C@@H]1C[C@H](n2ccc3cccc(C[NH3+])c32)C[N@@H+]1Cc1ccccc1 ZINC001171735285 1032874618 /nfs/dbraw/zinc/87/46/18/1032874618.db2.gz UWJZTPDALJNESL-UZLBHIALSA-N 2 0 319.452 3.936 20 0 DHADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067196 1020126995 /nfs/dbraw/zinc/12/69/95/1020126995.db2.gz LPWBCZHVWDDDSC-VQIMIIECSA-N 2 0 310.526 3.682 20 0 DHADRP CCCC[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071207 1020131361 /nfs/dbraw/zinc/13/13/61/1020131361.db2.gz VXAAYLSKSQYIKF-DLBZAZTESA-N 2 0 310.526 3.682 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677342 1020137352 /nfs/dbraw/zinc/13/73/52/1020137352.db2.gz MLBWRIXLEKJDPE-QGZVFWFLSA-N 2 0 316.489 3.612 20 0 DHADRP CC1(C)CCc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2O1 ZINC000731677403 1020137641 /nfs/dbraw/zinc/13/76/41/1020137641.db2.gz PDKNYRYMFFCTRL-ROUUACIJSA-N 2 0 314.473 3.507 20 0 DHADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166372 1020200853 /nfs/dbraw/zinc/20/08/53/1020200853.db2.gz UQXGSCURZPBZAF-MOPGFXCFSA-N 2 0 315.505 3.708 20 0 DHADRP C[NH+]1CCC(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)CC1 ZINC001207398385 1020277984 /nfs/dbraw/zinc/27/79/84/1020277984.db2.gz LUWUXQLZMHJNMB-UHFFFAOYSA-N 2 0 322.880 3.525 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171790882 1032888803 /nfs/dbraw/zinc/88/88/03/1032888803.db2.gz VFQVQAYMSGJTGA-BRWVUGGUSA-N 2 0 304.453 3.536 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCS1 ZINC000922838348 1020294491 /nfs/dbraw/zinc/29/44/91/1020294491.db2.gz LMIUBSXREIFPGM-ZAWLATJESA-N 2 0 318.530 3.913 20 0 DHADRP c1cn(-c2csc(C[NH2+][C@H]3CCSC4(CCC4)C3)c2)cn1 ZINC000922844163 1020300580 /nfs/dbraw/zinc/30/05/80/1020300580.db2.gz AITXEVGMXQGLDU-ZDUSSCGKSA-N 2 0 319.499 3.842 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCc2ccco2)CC1 ZINC000658326098 1020303879 /nfs/dbraw/zinc/30/38/79/1020303879.db2.gz BHNUGVLCTNZJHU-VQIMIIECSA-N 2 0 304.478 3.845 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000922846935 1020304975 /nfs/dbraw/zinc/30/49/75/1020304975.db2.gz HILOLXPFWJXQNL-VXESANQCSA-N 2 0 314.473 3.549 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000922847552 1020306933 /nfs/dbraw/zinc/30/69/33/1020306933.db2.gz UIPAMPHXYRJBEO-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000922847937 1020306998 /nfs/dbraw/zinc/30/69/98/1020306998.db2.gz ZFKIEQVFOYCRPO-UHFFFAOYSA-N 2 0 309.457 3.731 20 0 DHADRP CC(C)Cc1ncc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922847953 1020307074 /nfs/dbraw/zinc/30/70/74/1020307074.db2.gz ZTDKWBLISFIXJF-UHFFFAOYSA-N 2 0 321.534 3.838 20 0 DHADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cnc1Cl ZINC000922847406 1020307280 /nfs/dbraw/zinc/30/72/80/1020307280.db2.gz OXGXFYPUQYBZLS-UHFFFAOYSA-N 2 0 307.869 3.540 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000115628210 1020347280 /nfs/dbraw/zinc/34/72/80/1020347280.db2.gz FIUMCNITGRFTFH-QUCCMNQESA-N 2 0 318.505 3.530 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000655825284 1020404029 /nfs/dbraw/zinc/40/40/29/1020404029.db2.gz CHOAZCPUBQJPAS-HDICACEKSA-N 2 0 310.441 3.909 20 0 DHADRP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC001172881719 1033455250 /nfs/dbraw/zinc/45/52/50/1033455250.db2.gz IHQDWQFKUXZEMH-CYBMUJFWSA-N 2 0 314.926 3.998 20 0 DHADRP CCC[C@H](C)CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000625260525 1020434819 /nfs/dbraw/zinc/43/48/19/1020434819.db2.gz SJLVZKVERKXOHK-IBGZPJMESA-N 2 0 323.569 3.693 20 0 DHADRP CSC1(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000348028599 1020486540 /nfs/dbraw/zinc/48/65/40/1020486540.db2.gz UYZVOXKHYWRHRY-UHFFFAOYSA-N 2 0 318.530 3.904 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490711 1032918624 /nfs/dbraw/zinc/91/86/24/1032918624.db2.gz MKBXZBJBFXQALF-QFBILLFUSA-N 2 0 316.489 3.784 20 0 DHADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957879 1032924243 /nfs/dbraw/zinc/92/42/43/1032924243.db2.gz GFJLHQCUYWZXRY-BBRMVZONSA-N 2 0 314.395 3.710 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000570415443 1020721920 /nfs/dbraw/zinc/72/19/20/1020721920.db2.gz BBMXDQABECBQJH-UHFFFAOYSA-N 2 0 323.484 3.700 20 0 DHADRP CC(C)C1CC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309698244 1020727373 /nfs/dbraw/zinc/72/73/73/1020727373.db2.gz FOAMXQLGEAOVMT-XEVCZEQESA-N 2 0 300.490 3.923 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000628336731 1020766722 /nfs/dbraw/zinc/76/67/22/1020766722.db2.gz OCJSJQYMJZEECR-RTBURBONSA-N 2 0 322.537 3.683 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001171958507 1032926725 /nfs/dbraw/zinc/92/67/25/1032926725.db2.gz ALKAAKRVGUJFOB-HIFRSBDPSA-N 2 0 314.395 3.568 20 0 DHADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171966581 1032936156 /nfs/dbraw/zinc/93/61/56/1032936156.db2.gz LSBYGLYDPPAWDS-RBUKOAKNSA-N 2 0 316.489 3.588 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000414087074 1020869074 /nfs/dbraw/zinc/86/90/74/1020869074.db2.gz ZYFNWMZQUNMKEP-OAHLLOKOSA-N 2 0 302.462 3.671 20 0 DHADRP COC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001171967435 1032938995 /nfs/dbraw/zinc/93/89/95/1032938995.db2.gz ZXFOESQJOHACBQ-RTBURBONSA-N 2 0 318.505 3.690 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000173232355 1020904659 /nfs/dbraw/zinc/90/46/59/1020904659.db2.gz QOINNEDKLRDMAK-SFHVURJKSA-N 2 0 302.462 3.535 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000173226881 1020905256 /nfs/dbraw/zinc/90/52/56/1020905256.db2.gz DCRWXPKSMFQHNY-BEFAXECRSA-N 2 0 304.478 3.783 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000716310108 1020956840 /nfs/dbraw/zinc/95/68/40/1020956840.db2.gz PFFAFNITKHCSQO-UHFFFAOYSA-N 2 0 315.288 3.998 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000414169785 1020957820 /nfs/dbraw/zinc/95/78/20/1020957820.db2.gz BNJRWSUYUIMPDC-YOEHRIQHSA-N 2 0 322.880 3.875 20 0 DHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414173098 1020960870 /nfs/dbraw/zinc/96/08/70/1020960870.db2.gz GELHNUDOWCFVAL-MJGOQNOKSA-N 2 0 306.469 3.714 20 0 DHADRP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000171127646 1020979061 /nfs/dbraw/zinc/97/90/61/1020979061.db2.gz CCUCOWGDKKGXPD-INIZCTEOSA-N 2 0 312.457 3.916 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414189881 1020979454 /nfs/dbraw/zinc/97/94/54/1020979454.db2.gz RMURTKQWFYCVBE-ZFWWWQNUSA-N 2 0 309.523 3.957 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC000174514245 1020983403 /nfs/dbraw/zinc/98/34/03/1020983403.db2.gz MSLJJQQVFDNTCZ-XLIONFOSSA-N 2 0 324.468 3.838 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC000174514230 1020984088 /nfs/dbraw/zinc/98/40/88/1020984088.db2.gz MSLJJQQVFDNTCZ-FXAWDEMLSA-N 2 0 324.468 3.838 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414200100 1020988307 /nfs/dbraw/zinc/98/83/07/1020988307.db2.gz XHFUIMYGBPGFOQ-ICSRJNTNSA-N 2 0 318.505 3.549 20 0 DHADRP COC1([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000414301531 1021073710 /nfs/dbraw/zinc/07/37/10/1021073710.db2.gz JVPOCDIGWXOGFI-JENIJYKNSA-N 2 0 316.489 3.587 20 0 DHADRP COCC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000414310254 1021081893 /nfs/dbraw/zinc/08/18/93/1021081893.db2.gz KTGBENXEIKSOFP-NNZWXOEDSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000414316378 1021087911 /nfs/dbraw/zinc/08/79/11/1021087911.db2.gz UKCVQTWDOABRTD-LSDHHAIUSA-N 2 0 312.379 3.730 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000414316376 1021088249 /nfs/dbraw/zinc/08/82/49/1021088249.db2.gz UKCVQTWDOABRTD-GJZGRUSLSA-N 2 0 312.379 3.730 20 0 DHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000537964266 1032955585 /nfs/dbraw/zinc/95/55/85/1032955585.db2.gz KZTMVMMDAMHWEH-KSSFIOAISA-N 2 0 322.468 3.754 20 0 DHADRP Brc1ccccc1[C@@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000647537974 1021135303 /nfs/dbraw/zinc/13/53/03/1021135303.db2.gz ASBYTSNOTFCTIC-BBRMVZONSA-N 2 0 323.278 3.586 20 0 DHADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C1(c2ccccc2)CCCC1 ZINC000186754990 1021135703 /nfs/dbraw/zinc/13/57/03/1021135703.db2.gz XDCQLGMUYXOHQA-AOIWGVFYSA-N 2 0 300.490 3.959 20 0 DHADRP COc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000414364699 1021135734 /nfs/dbraw/zinc/13/57/34/1021135734.db2.gz BKEBMQGTUMJKAU-UHFFFAOYSA-N 2 0 320.452 3.721 20 0 DHADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647550206 1021157447 /nfs/dbraw/zinc/15/74/47/1021157447.db2.gz FOBCIMYQKAKUBM-ZIFCJYIRSA-N 2 0 300.490 3.504 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)cc1 ZINC000423296175 1021166563 /nfs/dbraw/zinc/16/65/63/1021166563.db2.gz YOIRCXBIESNSMF-CVEARBPZSA-N 2 0 320.440 3.743 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000250913279 1021196870 /nfs/dbraw/zinc/19/68/70/1021196870.db2.gz WBJJZAHUGYODCK-MAZHCROVSA-N 2 0 323.278 3.727 20 0 DHADRP c1ccc(CSCCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000090550251 1021234396 /nfs/dbraw/zinc/23/43/96/1021234396.db2.gz LIGWASKHKVHXJS-LJQANCHMSA-N 2 0 318.530 3.728 20 0 DHADRP c1ccc(-c2ccccc2C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000917395354 1021248948 /nfs/dbraw/zinc/24/89/48/1021248948.db2.gz ISBGGPXQXINWAF-UHFFFAOYSA-N 2 0 324.468 3.556 20 0 DHADRP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000377063289 1021252666 /nfs/dbraw/zinc/25/26/66/1021252666.db2.gz WBBWALYAFDBFEU-YLJYHZDGSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090941071 1021256002 /nfs/dbraw/zinc/25/60/02/1021256002.db2.gz FBQAHQIPHNBCND-CKEIUWERSA-N 2 0 306.881 3.690 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000181911506 1021389666 /nfs/dbraw/zinc/38/96/66/1021389666.db2.gz QCRSNWUGXZSUOH-OCCSQVGLSA-N 2 0 316.367 3.720 20 0 DHADRP Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c2ccccc2[nH+]1 ZINC000613572453 1021413126 /nfs/dbraw/zinc/41/31/26/1021413126.db2.gz ALAJGDCYQGJFFK-HXUWFJFHSA-N 2 0 323.415 3.819 20 0 DHADRP [NH3+]CCc1cccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078003 1032981440 /nfs/dbraw/zinc/98/14/40/1032981440.db2.gz WLJCMBOKXVPRAJ-WKCHPHFGSA-N 2 0 323.484 3.748 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000129452100 1021489815 /nfs/dbraw/zinc/48/98/15/1021489815.db2.gz MPBZAKMIMZWVCP-SMDDNHRTSA-N 2 0 301.261 3.608 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000556123850 1021534576 /nfs/dbraw/zinc/53/45/76/1021534576.db2.gz WADVVBGJUZKTLJ-INIZCTEOSA-N 2 0 302.453 3.866 20 0 DHADRP C[C@]1(C[NH2+]C2CC(CF)(CF)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000850466592 1021552467 /nfs/dbraw/zinc/55/24/67/1021552467.db2.gz NLBVMWGXLQQPNA-GOSISDBHSA-N 2 0 322.443 3.576 20 0 DHADRP COC(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065753 1032988213 /nfs/dbraw/zinc/98/82/13/1032988213.db2.gz QGXUPCQEYAGWIZ-LDLYASANSA-N 2 0 316.489 3.587 20 0 DHADRP CCOCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064027 1032989568 /nfs/dbraw/zinc/98/95/68/1032989568.db2.gz DGUKWJCCZJWBBH-ACDBMABISA-N 2 0 316.489 3.588 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130074633 1021611762 /nfs/dbraw/zinc/61/17/62/1021611762.db2.gz BZKHFXYQAHAXGK-GJZGRUSLSA-N 2 0 306.416 3.819 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597067 1021628725 /nfs/dbraw/zinc/62/87/25/1021628725.db2.gz OBGCHEPRDMEQIE-QGZVFWFLSA-N 2 0 324.468 3.766 20 0 DHADRP C[C@H](Cc1ccco1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714848 1021631272 /nfs/dbraw/zinc/63/12/72/1021631272.db2.gz LIKFEEUNFDAIJX-AOIWGVFYSA-N 2 0 312.457 3.711 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093941017 1021701145 /nfs/dbraw/zinc/70/11/45/1021701145.db2.gz CLFDUENQLSNBSU-IRXDYDNUSA-N 2 0 305.510 3.914 20 0 DHADRP Cc1cccc2c(CC[NH3+])cn([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c21 ZINC001172103144 1033006969 /nfs/dbraw/zinc/00/69/69/1033006969.db2.gz SPGPJNXCRAFFPU-PIIMJCKOSA-N 2 0 311.473 3.639 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000556584284 1021782381 /nfs/dbraw/zinc/78/23/81/1021782381.db2.gz SVDCZAXZPUAHAV-ZCNNSNEGSA-N 2 0 300.490 3.779 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000236773878 1021792230 /nfs/dbraw/zinc/79/22/30/1021792230.db2.gz SVOJIEWYIRULCN-UHFFFAOYSA-N 2 0 305.510 3.746 20 0 DHADRP CCCC[NH+](CCCC)CCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105036 1033004098 /nfs/dbraw/zinc/00/40/98/1033004098.db2.gz HUTYAVASYOMOGU-OWZKRDHZSA-N 2 0 323.569 3.884 20 0 DHADRP CC[NH+](CC)Cc1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000261766004 1021827012 /nfs/dbraw/zinc/82/70/12/1021827012.db2.gz WISUJBSOZIQLTA-RTWAWAEBSA-N 2 0 323.484 3.763 20 0 DHADRP CCC(CC)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109109 1033009069 /nfs/dbraw/zinc/00/90/69/1033009069.db2.gz CFFXWZBDWCSUTL-VBIBTDTNSA-N 3 0 321.553 3.762 20 0 DHADRP c1cc2cnccc2c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000183344493 1021837221 /nfs/dbraw/zinc/83/72/21/1021837221.db2.gz JWWITSLDGUCRRD-IBGZPJMESA-N 2 0 309.457 3.685 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001172110842 1033011829 /nfs/dbraw/zinc/01/18/29/1033011829.db2.gz PXMGCRHGMPHIQX-XLMAVXFVSA-N 2 0 319.880 3.791 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1C(F)(F)F ZINC000538244211 1033014317 /nfs/dbraw/zinc/01/43/17/1033014317.db2.gz HZKUVROAVTWVHM-OLZOCXBDSA-N 2 0 300.368 3.840 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000556869617 1021910577 /nfs/dbraw/zinc/91/05/77/1021910577.db2.gz AHPKAUNCGNXVIB-OTWHNJEPSA-N 2 0 300.490 3.735 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCCCCCCCO)C2 ZINC001172112264 1033015049 /nfs/dbraw/zinc/01/50/49/1033015049.db2.gz VDTVOBMOCNPTOW-LDLYASANSA-N 2 0 310.526 3.704 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@H]2CCC[C@H]21 ZINC000556886754 1021918988 /nfs/dbraw/zinc/91/89/88/1021918988.db2.gz VQHQKIDKQCKHCY-CEXWTWQISA-N 2 0 314.473 3.580 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3cccc(F)c3)CC1)C2 ZINC001172112142 1033017984 /nfs/dbraw/zinc/01/79/84/1033017984.db2.gz SDGJYPLOAPNPMT-LDLYASANSA-N 2 0 316.464 3.753 20 0 DHADRP Cc1ccc2cccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2n1 ZINC001172115009 1033017649 /nfs/dbraw/zinc/01/76/49/1033017649.db2.gz TWURHKGXQOAKRY-LDLYASANSA-N 2 0 309.457 3.648 20 0 DHADRP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)C1 ZINC000556934492 1021956368 /nfs/dbraw/zinc/95/63/68/1021956368.db2.gz WEBGOUWSUIDEAV-HBMCJLEFSA-N 2 0 312.501 3.915 20 0 DHADRP C[C@H](c1ccccn1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619970208 1021990865 /nfs/dbraw/zinc/99/08/65/1021990865.db2.gz ZZKSXBQTBGEABO-QGZVFWFLSA-N 2 0 301.478 3.731 20 0 DHADRP CSc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000659877790 1022030267 /nfs/dbraw/zinc/03/02/67/1022030267.db2.gz UXDZRINOMDIKBI-UHFFFAOYSA-N 2 0 306.519 3.961 20 0 DHADRP CCC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000538281396 1033024842 /nfs/dbraw/zinc/02/48/42/1033024842.db2.gz AXWSOYMGAWAOOW-ICSRJNTNSA-N 2 0 300.490 3.988 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1cccc3ccccc31)C2 ZINC001172119380 1033025179 /nfs/dbraw/zinc/02/51/79/1033025179.db2.gz ZDQZVBXSNDMEIT-BJWYYQGGSA-N 2 0 307.441 3.770 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000195133703 1022040097 /nfs/dbraw/zinc/04/00/97/1022040097.db2.gz SQCKCYXSBSVQRB-LAUBAEHRSA-N 2 0 324.443 3.925 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(F)nc2C)cc1 ZINC000785485931 1022150617 /nfs/dbraw/zinc/15/06/17/1022150617.db2.gz NVUWFHLXFRXFIY-ZDUSSCGKSA-N 2 0 324.403 3.874 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CCCO2 ZINC000852782299 1022175988 /nfs/dbraw/zinc/17/59/88/1022175988.db2.gz IWWDMJSOTULPDO-CRAIPNDOSA-N 2 0 302.462 3.537 20 0 DHADRP CC1(C)[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925525776 1022183214 /nfs/dbraw/zinc/18/32/14/1022183214.db2.gz FBZXIDOJPNMJNM-IFOPZJACSA-N 2 0 318.427 3.721 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172192499 1033036422 /nfs/dbraw/zinc/03/64/22/1033036422.db2.gz DNEZVJIQTSIRIH-OKZBNKHCSA-N 2 0 318.530 3.946 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169060122 1022235432 /nfs/dbraw/zinc/23/54/32/1022235432.db2.gz VZPDRSHKKSSGCY-YSTOQKLRSA-N 2 0 300.490 3.859 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169058176 1022235546 /nfs/dbraw/zinc/23/55/46/1022235546.db2.gz DIVOAHDFZBZIIS-FQEVSTJZSA-N 2 0 302.506 3.965 20 0 DHADRP CSc1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000659955539 1022245732 /nfs/dbraw/zinc/24/57/32/1022245732.db2.gz BCURGUXFOILNQG-QGZVFWFLSA-N 2 0 304.503 3.716 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101310 1022246555 /nfs/dbraw/zinc/24/65/55/1022246555.db2.gz RBOXVOIROXSBKY-FCGDIQPGSA-N 2 0 302.437 3.882 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C2 ZINC001169099555 1022246590 /nfs/dbraw/zinc/24/65/90/1022246590.db2.gz BHGVELWBGIPTIB-MUJYYYPQSA-N 2 0 313.272 3.751 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101305 1022248009 /nfs/dbraw/zinc/24/80/09/1022248009.db2.gz RAIKZWQIFGYREG-AKHDSKFASA-N 2 0 302.437 3.882 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001169079262 1022251083 /nfs/dbraw/zinc/25/10/83/1022251083.db2.gz QPDFINNNXBVJND-HXUWFJFHSA-N 2 0 302.506 3.917 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)C1CC[NH+](C)CC1 ZINC000766585715 1022252335 /nfs/dbraw/zinc/25/23/35/1022252335.db2.gz RIUBEXLDSWNDSZ-QAPCUYQASA-N 2 0 314.473 3.753 20 0 DHADRP CC[NH+]1C[C@@H]2C[NH+]([C@H](Cc3ccccc3)CC(C)C)C[C@H]2C1 ZINC001169085590 1022252643 /nfs/dbraw/zinc/25/26/43/1022252643.db2.gz OZOJUHXOEGUDMV-AQNXPRMDSA-N 2 0 300.490 3.527 20 0 DHADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169085594 1022252732 /nfs/dbraw/zinc/25/27/32/1022252732.db2.gz OZOJUHXOEGUDMV-ZCNNSNEGSA-N 2 0 300.490 3.527 20 0 DHADRP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001169085944 1022252898 /nfs/dbraw/zinc/25/28/98/1022252898.db2.gz QHHYZUHISJZNMZ-VAMGGRTRSA-N 2 0 300.490 3.527 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCCc4ccccc43)CC1)C2 ZINC001169128580 1022260224 /nfs/dbraw/zinc/26/02/24/1022260224.db2.gz FLOYEHURVPCWJT-ACDBMABISA-N 2 0 324.512 3.982 20 0 DHADRP CCCCCC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000766600426 1022260407 /nfs/dbraw/zinc/26/04/07/1022260407.db2.gz MBKIUFZMUZNNLA-RTBURBONSA-N 2 0 324.553 3.950 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCc3c(F)cc(F)cc31)C2 ZINC001169125311 1022262126 /nfs/dbraw/zinc/26/21/26/1022262126.db2.gz YSUGAISKEZYFIX-FLTUCWPJSA-N 2 0 306.400 3.557 20 0 DHADRP COc1ccc2cccc(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC001169108299 1022266205 /nfs/dbraw/zinc/26/62/05/1022266205.db2.gz QLNXPSVIEZGJPC-LDLYASANSA-N 2 0 324.468 3.606 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]13C[C@H]4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC001169109488 1022267457 /nfs/dbraw/zinc/26/74/57/1022267457.db2.gz JEFIVFTZRAEXBA-UEONOYIDSA-N 2 0 302.506 3.950 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c([C@@H]3CCC[NH2+]3)cc3ccccc31)C2 ZINC001169140653 1022272618 /nfs/dbraw/zinc/27/26/18/1022272618.db2.gz LEPJTDOIQYDMSC-MHORFTMASA-N 2 0 309.457 3.864 20 0 DHADRP CC1(C)C[C@@H](Nc2ccc(C3([NH3+])CCC3)cc2)C[C@@](C)(C[NH3+])C1 ZINC001169142984 1022274273 /nfs/dbraw/zinc/27/42/73/1022274273.db2.gz IRLMUEKLKRTWQA-IEBWSBKVSA-N 2 0 315.505 3.980 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(n3ccc4ccccc43)CC1)C2 ZINC001169155389 1022285410 /nfs/dbraw/zinc/28/54/10/1022285410.db2.gz OPULIQLYMMARSK-PMOLBWCYSA-N 2 0 323.484 3.903 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925539815 1022293162 /nfs/dbraw/zinc/29/31/62/1022293162.db2.gz DHWYXZAZBNPHFP-MJBXVCDLSA-N 2 0 304.400 3.619 20 0 DHADRP CC[NH+]1CCC([NH2+]CCc2c(Cl)cccc2Cl)CC1 ZINC001169221797 1022309243 /nfs/dbraw/zinc/30/92/43/1022309243.db2.gz MPTYBMHRBNDTRX-UHFFFAOYSA-N 2 0 301.261 3.610 20 0 DHADRP CC[NH+]1CCC([NH2+]Cc2cccc(-c3cccs3)c2)CC1 ZINC001169230156 1022312752 /nfs/dbraw/zinc/31/27/52/1022312752.db2.gz UJJUHCAGWLMEHG-UHFFFAOYSA-N 2 0 300.471 3.989 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000538406853 1033045390 /nfs/dbraw/zinc/04/53/90/1033045390.db2.gz WPZCGELKMAHQOG-QZTJIDSGSA-N 2 0 304.865 3.828 20 0 DHADRP CC[NH+]1CCC(n2c3ccc(Cl)cc3c3c2CC[NH2+]C3)CC1 ZINC001169254280 1022329041 /nfs/dbraw/zinc/32/90/41/1022329041.db2.gz BNNUVWSFUOYPAU-UHFFFAOYSA-N 2 0 317.864 3.597 20 0 DHADRP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000363853367 1022340362 /nfs/dbraw/zinc/34/03/62/1022340362.db2.gz DEJAXPFQGWJQGG-SOAMZJECSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654936 1022383813 /nfs/dbraw/zinc/38/38/13/1022383813.db2.gz KBGVSQAKSZSJHO-RDJZCZTQSA-N 2 0 306.881 3.648 20 0 DHADRP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000268899302 1022386044 /nfs/dbraw/zinc/38/60/44/1022386044.db2.gz OHPFPJLEMUGJGZ-JENIJYKNSA-N 2 0 318.505 3.833 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654312 1022386081 /nfs/dbraw/zinc/38/60/81/1022386081.db2.gz GVPYGESNVFFOMU-DOTOQJQBSA-N 2 0 306.881 3.648 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000854229950 1022436130 /nfs/dbraw/zinc/43/61/30/1022436130.db2.gz BHMGXOBRPVIMDZ-NOZJJQNGSA-N 2 0 304.265 3.600 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000271071819 1022457452 /nfs/dbraw/zinc/45/74/52/1022457452.db2.gz FJTKFVZCPXARSW-OAHLLOKOSA-N 2 0 315.486 3.706 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271833247 1022482984 /nfs/dbraw/zinc/48/29/84/1022482984.db2.gz FFHGSFRAZFYVOZ-MRXNPFEDSA-N 2 0 302.462 3.634 20 0 DHADRP [NH3+]C1(CC2CCC2)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172199121 1033057922 /nfs/dbraw/zinc/05/79/22/1033057922.db2.gz SKMKXGDGVLIXPZ-KRWDZBQOSA-N 2 0 316.514 3.687 20 0 DHADRP C[C@@H]([NH2+]Cc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272164254 1022494048 /nfs/dbraw/zinc/49/40/48/1022494048.db2.gz GOBFDQXVRCJEDD-NVXWUHKLSA-N 2 0 300.471 3.748 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000132736708 1033058518 /nfs/dbraw/zinc/05/85/18/1033058518.db2.gz NPRBYBWPIHNJJH-XLIONFOSSA-N 2 0 316.489 3.618 20 0 DHADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(C2([NH3+])CC2)cc1 ZINC001169699412 1022510813 /nfs/dbraw/zinc/51/08/13/1022510813.db2.gz YEDMKHAROGPFNI-GOSISDBHSA-N 2 0 307.441 3.875 20 0 DHADRP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172200737 1033061090 /nfs/dbraw/zinc/06/10/90/1033061090.db2.gz KMNQHQDZUOSHAQ-RDJZCZTQSA-N 2 0 304.503 3.544 20 0 DHADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001169898311 1022583908 /nfs/dbraw/zinc/58/39/08/1022583908.db2.gz AJHREVXIPYDLPQ-SZPZYZBQSA-N 2 0 320.480 3.867 20 0 DHADRP Cc1ccccc1SC[C@@H](C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000859072852 1033061777 /nfs/dbraw/zinc/06/17/77/1033061777.db2.gz AZBTZEWWHGCXMJ-HNNXBMFYSA-N 2 0 306.519 3.749 20 0 DHADRP CC(C)[PH+](CC[NH2+][C@@H]1CCCC2(C1)OCCO2)C(C)C ZINC001169926781 1022595890 /nfs/dbraw/zinc/59/58/90/1022595890.db2.gz GYKUTUFQUYQLGM-OAHLLOKOSA-N 2 0 301.411 3.560 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1OC ZINC000158124209 1022605429 /nfs/dbraw/zinc/60/54/29/1022605429.db2.gz BJQMHVIENMWCLG-CJNGLKHVSA-N 2 0 310.869 3.731 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC001172245279 1033067038 /nfs/dbraw/zinc/06/70/38/1033067038.db2.gz QCOGSEWNUFHRMP-IBGZPJMESA-N 2 0 318.505 3.864 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000158245104 1022619389 /nfs/dbraw/zinc/61/93/89/1022619389.db2.gz XXVXMFYESQCHRO-NWDGAFQWSA-N 2 0 301.261 3.986 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2nc(C)oc2C)CC1)CC1CC1 ZINC000660168422 1022624010 /nfs/dbraw/zinc/62/40/10/1022624010.db2.gz QFQBRGDIQRGUIK-UHFFFAOYSA-N 2 0 319.493 3.625 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417306766 1022668065 /nfs/dbraw/zinc/66/80/65/1022668065.db2.gz GLTHTZYHWBZZBI-BHYGNILZSA-N 2 0 306.519 3.952 20 0 DHADRP COCCCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158837949 1022669995 /nfs/dbraw/zinc/66/99/95/1022669995.db2.gz QNFXIDOYLKAOCI-SFHVURJKSA-N 2 0 310.526 3.780 20 0 DHADRP CCCCCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591124 1022838716 /nfs/dbraw/zinc/83/87/16/1022838716.db2.gz IPIXKCNJDFLHIA-LJQANCHMSA-N 2 0 319.493 3.567 20 0 DHADRP COc1cccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310072372 1022873147 /nfs/dbraw/zinc/87/31/47/1022873147.db2.gz AHLPDBDRLZQFIU-OAQYLSRUSA-N 2 0 324.468 3.697 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000925624427 1022875425 /nfs/dbraw/zinc/87/54/25/1022875425.db2.gz XKKSTCHDLKTPRE-PMACEKPBSA-N 2 0 312.457 3.570 20 0 DHADRP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768088889 1022879049 /nfs/dbraw/zinc/87/90/49/1022879049.db2.gz DDBZUKDYHLKBNS-GOSISDBHSA-N 2 0 302.462 3.538 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCCO2 ZINC000768094208 1022879865 /nfs/dbraw/zinc/87/98/65/1022879865.db2.gz URAFDEZPFPTTHK-QRVBRYPASA-N 2 0 314.473 3.679 20 0 DHADRP CCCCn1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c(C)n1 ZINC000925628658 1022893829 /nfs/dbraw/zinc/89/38/29/1022893829.db2.gz FVKISESHEAAWHX-LJQANCHMSA-N 2 0 314.477 3.561 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000163313570 1022908590 /nfs/dbraw/zinc/90/85/90/1022908590.db2.gz FOEZZVBTIWXZTK-IAQYHMDHSA-N 2 0 313.272 3.912 20 0 DHADRP CCOc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768163386 1022908658 /nfs/dbraw/zinc/90/86/58/1022908658.db2.gz OKJCZDZHSYNTLK-UHFFFAOYSA-N 2 0 312.457 3.779 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414911114 1022911000 /nfs/dbraw/zinc/91/10/00/1022911000.db2.gz DLKZFBSOZWPARW-MSOLQXFVSA-N 2 0 310.441 3.722 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000414926234 1022921293 /nfs/dbraw/zinc/92/12/93/1022921293.db2.gz NBFVELXTATWWBO-KGLIPLIRSA-N 2 0 320.383 3.801 20 0 DHADRP Cc1cccc(OCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000768212550 1022925543 /nfs/dbraw/zinc/92/55/43/1022925543.db2.gz LJBBPKMRAKJBKA-UHFFFAOYSA-N 2 0 312.457 3.567 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000414933072 1022940440 /nfs/dbraw/zinc/94/04/40/1022940440.db2.gz WMAGTOFULHWBHZ-IRXDYDNUSA-N 2 0 320.477 3.624 20 0 DHADRP Cc1cnc([C@@H](C)C[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000925648709 1022949827 /nfs/dbraw/zinc/94/98/27/1022949827.db2.gz WZZQDRGPMQPCJZ-XJKSGUPXSA-N 2 0 303.475 3.625 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000165315659 1022977741 /nfs/dbraw/zinc/97/77/41/1022977741.db2.gz QRKBBQMJJLUEDA-GVDBMIGSSA-N 2 0 304.478 3.509 20 0 DHADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649418253 1023039458 /nfs/dbraw/zinc/03/94/58/1023039458.db2.gz QFFZQZUOWAQBOZ-BZUAXINKSA-N 2 0 319.493 3.745 20 0 DHADRP C[C@@]1(CN[C@@H]2CCc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310085509 1023078692 /nfs/dbraw/zinc/07/86/92/1023078692.db2.gz NDDXJGBBDJNGDA-CTNGQTDRSA-N 2 0 321.468 3.571 20 0 DHADRP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)C[C@@H]1C ZINC001172372350 1033107132 /nfs/dbraw/zinc/10/71/32/1033107132.db2.gz XMTBBQWWDXZZBB-RVKKMQEKSA-N 2 0 304.453 3.900 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000628299081 1023144121 /nfs/dbraw/zinc/14/41/21/1023144121.db2.gz BSHWAUHSZHKSFB-UHFFFAOYSA-N 2 0 308.413 3.977 20 0 DHADRP C[C@@H]1C[C@@H](CC[NH2+]C2CC(C(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000769537968 1023175678 /nfs/dbraw/zinc/17/56/78/1023175678.db2.gz OUDMIPIGDKFWDH-DVHLICQRSA-N 2 0 322.443 3.920 20 0 DHADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000769870590 1023233966 /nfs/dbraw/zinc/23/39/66/1023233966.db2.gz ARPYWVKZAGBZPH-GJZGRUSLSA-N 2 0 307.482 3.851 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000769875818 1023238461 /nfs/dbraw/zinc/23/84/61/1023238461.db2.gz XGIXVLZGJIEKEE-CQSZACIVSA-N 2 0 315.461 3.848 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000194884164 1023326015 /nfs/dbraw/zinc/32/60/15/1023326015.db2.gz NDSAYEIRUVEZPM-QFBILLFUSA-N 2 0 316.489 3.783 20 0 DHADRP Cc1ccccc1SC[C@@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000859314459 1033124154 /nfs/dbraw/zinc/12/41/54/1033124154.db2.gz MHYJFNHQTOUONU-QFBILLFUSA-N 2 0 318.530 3.751 20 0 DHADRP C[N@@H+]1CC[C@]2(C1)CCCN(C/C=C\c1ccc(Cl)cc1)C2 ZINC000660662423 1023367056 /nfs/dbraw/zinc/36/70/56/1023367056.db2.gz KBTGAXJJDLZOFY-VEXQSBSHSA-N 2 0 304.865 3.771 20 0 DHADRP FC1(F)CC[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660674580 1023374931 /nfs/dbraw/zinc/37/49/31/1023374931.db2.gz AORBDHMOZBXWFV-MRXNPFEDSA-N 2 0 308.416 3.676 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925719207 1023415940 /nfs/dbraw/zinc/41/59/40/1023415940.db2.gz MBNJJBLKFYMXPC-LSDHHAIUSA-N 2 0 302.453 3.816 20 0 DHADRP C[C@@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172371117 1033151302 /nfs/dbraw/zinc/15/13/02/1033151302.db2.gz WWTCJRMEIPUUGT-BDUQCRIQSA-N 2 0 315.505 3.978 20 0 DHADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150852 1023680612 /nfs/dbraw/zinc/68/06/12/1023680612.db2.gz BCVOISUYHSSDAZ-APWZRJJASA-N 2 0 301.478 3.634 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150853 1023680981 /nfs/dbraw/zinc/68/09/81/1023680981.db2.gz BCVOISUYHSSDAZ-LPHOPBHVSA-N 2 0 301.478 3.634 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001170065481 1023740439 /nfs/dbraw/zinc/74/04/39/1023740439.db2.gz ZGWJZELXPGQXSW-GOSISDBHSA-N 2 0 324.553 3.929 20 0 DHADRP CC(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)n1 ZINC001206035167 1023843578 /nfs/dbraw/zinc/84/35/78/1023843578.db2.gz BWPLNCLZHMBJHH-UONOGXRCSA-N 2 0 309.885 3.665 20 0 DHADRP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC[C@@H]1c1ccccc1 ZINC000788022450 1023846481 /nfs/dbraw/zinc/84/64/81/1023846481.db2.gz NYYURJKZGRLOHX-ICSRJNTNSA-N 2 0 300.490 3.844 20 0 DHADRP c1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccnc2c1 ZINC000538750153 1033166669 /nfs/dbraw/zinc/16/66/69/1033166669.db2.gz GNADWJJZBNVJDI-QGZVFWFLSA-N 2 0 309.457 3.543 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791722 1023894070 /nfs/dbraw/zinc/89/40/70/1023894070.db2.gz WIOKDIMMPASBRX-ZFWWWQNUSA-N 2 0 309.523 3.603 20 0 DHADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000796702613 1023940197 /nfs/dbraw/zinc/94/01/97/1023940197.db2.gz CGEFXPLUGFBSPF-WOJBJXKFSA-N 2 0 300.490 3.923 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000658358572 1023943498 /nfs/dbraw/zinc/94/34/98/1023943498.db2.gz WMPCGOWBLFWNOJ-AWEZNQCLSA-N 2 0 320.452 3.607 20 0 DHADRP COc1ccccc1C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662250955 1024029026 /nfs/dbraw/zinc/02/90/26/1024029026.db2.gz TWAPFQDMNZZYAQ-UHFFFAOYSA-N 2 0 322.452 3.506 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662256956 1024036172 /nfs/dbraw/zinc/03/61/72/1024036172.db2.gz KPPYHATWSFAGKF-HXUWFJFHSA-N 2 0 322.452 3.678 20 0 DHADRP Cc1cccnc1[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000662265056 1024040854 /nfs/dbraw/zinc/04/08/54/1024040854.db2.gz UMGJMFMMFNGEFL-LJQANCHMSA-N 2 0 309.457 3.523 20 0 DHADRP Clc1ccc2sc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2n1 ZINC000876930167 1033183512 /nfs/dbraw/zinc/18/35/12/1033183512.db2.gz SSNGSLNWWUBVHY-NSHDSACASA-N 2 0 321.877 3.524 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172398493 1033183695 /nfs/dbraw/zinc/18/36/95/1033183695.db2.gz GUPVIJJLAFMBIB-GOSISDBHSA-N 2 0 306.469 3.986 20 0 DHADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292270 1024075499 /nfs/dbraw/zinc/07/54/99/1024075499.db2.gz CSRBLNCPKMWASF-HOCLYGCPSA-N 2 0 319.493 3.745 20 0 DHADRP C[C@H](c1ccc(F)cc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294507 1024076193 /nfs/dbraw/zinc/07/61/93/1024076193.db2.gz XEEDVLUWLIDSKG-HIFRSBDPSA-N 2 0 308.416 3.737 20 0 DHADRP CCCCc1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294636 1024076349 /nfs/dbraw/zinc/07/63/49/1024076349.db2.gz RMVKFRNJWQCWFK-INIZCTEOSA-N 2 0 321.534 3.697 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)Cc2cccc3cccnc32)CC1 ZINC001137179688 1024077718 /nfs/dbraw/zinc/07/77/18/1024077718.db2.gz ZDZNRAITBNKWRB-UHFFFAOYSA-N 2 0 311.473 3.931 20 0 DHADRP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297409 1024081017 /nfs/dbraw/zinc/08/10/17/1024081017.db2.gz PILWDCNAOSYJFL-UKRRQHHQSA-N 2 0 308.416 3.737 20 0 DHADRP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297410 1024081211 /nfs/dbraw/zinc/08/12/11/1024081211.db2.gz PILWDCNAOSYJFL-ZFWWWQNUSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1F ZINC000662301865 1024085798 /nfs/dbraw/zinc/08/57/98/1024085798.db2.gz HMOCJOPWDULKOG-FQEVSTJZSA-N 2 0 312.432 3.958 20 0 DHADRP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)[C@@H]1CCC[NH3+] ZINC000662313290 1024105087 /nfs/dbraw/zinc/10/50/87/1024105087.db2.gz JQBDQHPJECLSSD-NVXWUHKLSA-N 2 0 313.445 3.681 20 0 DHADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662325127 1024107496 /nfs/dbraw/zinc/10/74/96/1024107496.db2.gz IILWBYDLQJUJFE-RTBURBONSA-N 2 0 318.505 3.715 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000268761534 1024156164 /nfs/dbraw/zinc/15/61/64/1024156164.db2.gz HLSWVMIQEGTRQY-IRXDYDNUSA-N 2 0 316.489 3.880 20 0 DHADRP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663343927 1024170642 /nfs/dbraw/zinc/17/06/42/1024170642.db2.gz KAUJNSKAAWYNGI-XKKXFUJGSA-N 2 0 320.427 3.690 20 0 DHADRP Fc1ccc2oc(CNC[C@@H]3CCC[N@H+](CC4CC4)C3)cc2c1 ZINC000663346211 1024176025 /nfs/dbraw/zinc/17/60/25/1024176025.db2.gz QPLJKUGWYHAMHS-HNNXBMFYSA-N 2 0 316.420 3.784 20 0 DHADRP CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(OC(F)F)cc1 ZINC000268845943 1024176354 /nfs/dbraw/zinc/17/63/54/1024176354.db2.gz VGLLDPJJCCXHGB-IUODEOHRSA-N 2 0 309.360 3.614 20 0 DHADRP CC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663346585 1024177869 /nfs/dbraw/zinc/17/78/69/1024177869.db2.gz WBIZZWXORDSCND-OALUTQOASA-N 2 0 300.490 3.892 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000268864679 1024181173 /nfs/dbraw/zinc/18/11/73/1024181173.db2.gz CJKFKRMJUVOULO-HXUWFJFHSA-N 2 0 314.473 3.679 20 0 DHADRP CC(C)COCC[C@@H](C)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172478531 1033191642 /nfs/dbraw/zinc/19/16/42/1033191642.db2.gz AZCRWLDFGMFQEC-QYZOEREBSA-N 2 0 310.526 3.776 20 0 DHADRP Cc1ncsc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000268878595 1024185878 /nfs/dbraw/zinc/18/58/78/1024185878.db2.gz HPCBKFVSAAJKSQ-LLVKDONJSA-N 2 0 307.438 3.503 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001170123791 1024200081 /nfs/dbraw/zinc/20/00/81/1024200081.db2.gz DEHKTPPITBULSZ-IZBJGVDFSA-N 2 0 300.490 3.923 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000876963953 1033192871 /nfs/dbraw/zinc/19/28/71/1033192871.db2.gz MGSRBTBOLABIGW-LBPRGKRZSA-N 2 0 323.893 3.771 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000268976382 1024210951 /nfs/dbraw/zinc/21/09/51/1024210951.db2.gz GXYHYJIYBALOMJ-KBPBESRZSA-N 2 0 305.491 3.720 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000269005054 1024217216 /nfs/dbraw/zinc/21/72/16/1024217216.db2.gz MLJQALQDGQRLKL-CYBMUJFWSA-N 2 0 318.383 3.620 20 0 DHADRP CCOc1ccc([C@H](CC)[NH2+]CCCC[NH+](C)C)cc1OCC ZINC000269001156 1024219070 /nfs/dbraw/zinc/21/90/70/1024219070.db2.gz LNTTYFVXWIEONS-KRWDZBQOSA-N 2 0 322.493 3.867 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000531685447 1024272298 /nfs/dbraw/zinc/27/22/98/1024272298.db2.gz OVSUAAUYWHEIJG-HKUYNNGSSA-N 2 0 300.490 3.818 20 0 DHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000531716048 1024283428 /nfs/dbraw/zinc/28/34/28/1024283428.db2.gz UKTVZGJHEVTEMZ-WOJBJXKFSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000453090886 1024325365 /nfs/dbraw/zinc/32/53/65/1024325365.db2.gz POTBIJIPOQPBCH-ZWKOTPCHSA-N 2 0 303.494 3.647 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000269996802 1024338153 /nfs/dbraw/zinc/33/81/53/1024338153.db2.gz WOHSYECYKMRWAV-ZWKOTPCHSA-N 2 0 311.473 3.810 20 0 DHADRP CSC(C)(C)CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000877007569 1033204164 /nfs/dbraw/zinc/20/41/64/1033204164.db2.gz WHHCHCXOLAXUOG-SFHVURJKSA-N 2 0 320.546 3.672 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCOCc2ccccc2)C1 ZINC000877019992 1033207873 /nfs/dbraw/zinc/20/78/73/1033207873.db2.gz IQMAPVCSRBNVQH-QUCCMNQESA-N 2 0 318.505 3.692 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH+](C2CCC2)C2CCC2)cc1 ZINC000644843085 1024354097 /nfs/dbraw/zinc/35/40/97/1024354097.db2.gz AJDLHHFJUHCUBO-UHFFFAOYSA-N 2 0 302.462 3.534 20 0 DHADRP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453139526 1024364546 /nfs/dbraw/zinc/36/45/46/1024364546.db2.gz AQZQXOXBYZUFMV-YRXWBPOGSA-N 2 0 316.514 3.525 20 0 DHADRP C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001170145301 1024383431 /nfs/dbraw/zinc/38/34/31/1024383431.db2.gz UHCUXFYCWRVJJQ-MJGOQNOKSA-N 2 0 313.489 3.558 20 0 DHADRP C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001170145303 1024384454 /nfs/dbraw/zinc/38/44/54/1024384454.db2.gz UHCUXFYCWRVJJQ-PKOBYXMFSA-N 2 0 313.489 3.558 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@H]1CCCOC1 ZINC000883351648 1024396715 /nfs/dbraw/zinc/39/67/15/1024396715.db2.gz JVBNESNCIZRZNI-QGZVKYPTSA-N 2 0 322.537 3.824 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000270504684 1024398929 /nfs/dbraw/zinc/39/89/29/1024398929.db2.gz OEQJJLVRNJBTTK-MNOVXSKESA-N 2 0 316.276 3.568 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCOCc2ccccc2)C1 ZINC000877019963 1033208455 /nfs/dbraw/zinc/20/84/55/1033208455.db2.gz IQMAPVCSRBNVQH-AZUAARDMSA-N 2 0 318.505 3.692 20 0 DHADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466456 1024401841 /nfs/dbraw/zinc/40/18/41/1024401841.db2.gz TZAAELXVVNEVMR-FXAWDEMLSA-N 2 0 315.505 3.504 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC4(CCC4)O3)CC2)C1 ZINC000883356653 1024401882 /nfs/dbraw/zinc/40/18/82/1024401882.db2.gz RVXAOJIGDMZYPC-NEWSRXKRSA-N 2 0 320.521 3.721 20 0 DHADRP CC(CC[NH+]1CC[C@H](C(F)F)C1)CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000663464486 1024405338 /nfs/dbraw/zinc/40/53/38/1024405338.db2.gz ZGHYEFCRDLAQGS-KBPBESRZSA-N 2 0 324.406 3.577 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663466879 1024408511 /nfs/dbraw/zinc/40/85/11/1024408511.db2.gz AVQBYZRRVBNCSY-HNAYVOBHSA-N 2 0 302.437 3.525 20 0 DHADRP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467918 1024409108 /nfs/dbraw/zinc/40/91/08/1024409108.db2.gz ILFHQXBFEWDZOS-VQIMIIECSA-N 2 0 318.480 3.858 20 0 DHADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466891 1024410043 /nfs/dbraw/zinc/41/00/43/1024410043.db2.gz BAHMSCRNCGMHBV-HKUYNNGSSA-N 2 0 314.473 3.612 20 0 DHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883378986 1024411370 /nfs/dbraw/zinc/41/13/70/1024411370.db2.gz HYSCNTJDSBJXMR-LPHOPBHVSA-N 2 0 320.521 3.578 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCCCC1 ZINC000925778392 1024435993 /nfs/dbraw/zinc/43/59/93/1024435993.db2.gz VMOLEYJARSDYPP-CYBMUJFWSA-N 2 0 307.507 3.565 20 0 DHADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1)C1CCCC1 ZINC000883441878 1024436221 /nfs/dbraw/zinc/43/62/21/1024436221.db2.gz ZIWYQTUCACTBLR-YTQUADARSA-N 2 0 320.521 3.708 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000453275666 1024448727 /nfs/dbraw/zinc/44/87/27/1024448727.db2.gz YXSCCMOONFHOMB-BDUQCRIQSA-N 2 0 300.490 3.889 20 0 DHADRP CC(C)OCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172457948 1033212196 /nfs/dbraw/zinc/21/21/96/1033212196.db2.gz XATHXXVGZWLBJE-QUCCMNQESA-N 2 0 318.505 3.644 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(Br)cc2)CC[N@@H+]1C ZINC000453310838 1024458127 /nfs/dbraw/zinc/45/81/27/1024458127.db2.gz GFKFPSSZKRPOOY-IHLDYCTFSA-N 2 0 323.278 3.535 20 0 DHADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1cccc2ccccc21 ZINC000925781386 1024464818 /nfs/dbraw/zinc/46/48/18/1024464818.db2.gz YLKGXDZIFTWQNH-LPHOPBHVSA-N 2 0 300.446 3.634 20 0 DHADRP CC(C)OCC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172457946 1033212961 /nfs/dbraw/zinc/21/29/61/1033212961.db2.gz XATHXXVGZWLBJE-AZUAARDMSA-N 2 0 318.505 3.644 20 0 DHADRP C[C@@H]1C[C@@H]([NH+]2CCC(Cc3c(F)cccc3F)CC2)CCN1C ZINC000453341243 1024470704 /nfs/dbraw/zinc/47/07/04/1024470704.db2.gz COTHIHRNFHPLDI-ZBFHGGJFSA-N 2 0 322.443 3.702 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000643458554 1024474813 /nfs/dbraw/zinc/47/48/13/1024474813.db2.gz DFYZNPJBWXFOFT-AXTSPUMRSA-N 2 0 320.321 3.611 20 0 DHADRP c1cc2cccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2[nH]1 ZINC000271247987 1024478103 /nfs/dbraw/zinc/47/81/03/1024478103.db2.gz CYNVMFBFOUDHPJ-QFBILLFUSA-N 2 0 309.457 3.617 20 0 DHADRP CC(C)COCC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172462283 1033214780 /nfs/dbraw/zinc/21/47/80/1033214780.db2.gz DKIAOUAIFGGTJH-ZWKOTPCHSA-N 2 0 306.494 3.535 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000663504314 1024490669 /nfs/dbraw/zinc/49/06/69/1024490669.db2.gz ZCDNGCCUHJRSKM-XJKSGUPXSA-N 2 0 316.411 3.990 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCCO2 ZINC000453366865 1024491440 /nfs/dbraw/zinc/49/14/40/1024491440.db2.gz TURVPFIAGDRNFC-RGPMPMONSA-N 2 0 314.473 3.732 20 0 DHADRP c1cnc2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271394119 1024497594 /nfs/dbraw/zinc/49/75/94/1024497594.db2.gz UNRVQLPSVPVPRV-RXVVDRJESA-N 2 0 321.468 3.684 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001167826560 1024501793 /nfs/dbraw/zinc/50/17/93/1024501793.db2.gz QDICASGANVARPP-UYAOXDASSA-N 2 0 318.505 3.788 20 0 DHADRP C[C@@H]([NH2+]CCC1CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453404650 1024501889 /nfs/dbraw/zinc/50/18/89/1024501889.db2.gz DPWDYLLFJFLOQB-QAPCUYQASA-N 2 0 322.443 3.922 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C1CC1 ZINC000453408201 1024504142 /nfs/dbraw/zinc/50/41/42/1024504142.db2.gz SNBIMZCYPSVNHJ-AWEZNQCLSA-N 2 0 312.379 3.555 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cnn(C2CCCC2)c1 ZINC000453411603 1024506492 /nfs/dbraw/zinc/50/64/92/1024506492.db2.gz VQTQBMZGMCGYHY-OAHLLOKOSA-N 2 0 304.482 3.523 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453396450 1024511948 /nfs/dbraw/zinc/51/19/48/1024511948.db2.gz IVVBTUIGWHLUIT-HNNXBMFYSA-N 2 0 300.446 3.828 20 0 DHADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000453397762 1024512467 /nfs/dbraw/zinc/51/24/67/1024512467.db2.gz JWVBXFLKEKOSJY-OALUTQOASA-N 2 0 304.453 3.926 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000453397391 1024513529 /nfs/dbraw/zinc/51/35/29/1024513529.db2.gz JJBNQORNAZMGIJ-AWEZNQCLSA-N 2 0 307.507 3.547 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCOC(C)(C)C3)CC2)C1 ZINC000453444441 1024516571 /nfs/dbraw/zinc/51/65/71/1024516571.db2.gz YEOIMSCZVMYZOU-ZHALLVOQSA-N 2 0 322.537 3.824 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCCCC2 ZINC000453420127 1024517974 /nfs/dbraw/zinc/51/79/74/1024517974.db2.gz ZEZSWBNCIVWMOY-ZWKOTPCHSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000453421370 1024518279 /nfs/dbraw/zinc/51/82/79/1024518279.db2.gz LYTNTITXZMMOCP-ZHALLVOQSA-N 2 0 322.537 3.824 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000282842184 1024534176 /nfs/dbraw/zinc/53/41/76/1024534176.db2.gz STSNGXRXZVVWPX-LPMFXHHGSA-N 2 0 317.452 3.558 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cnc(-c2ccsc2)s1)C1CC1 ZINC000453594986 1024536292 /nfs/dbraw/zinc/53/62/92/1024536292.db2.gz JFUBMELQNXEVAI-UHFFFAOYSA-N 2 0 321.515 3.836 20 0 DHADRP Fc1ccc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536503 1024539393 /nfs/dbraw/zinc/53/93/93/1024539393.db2.gz ULZZIXDZNABTRE-OALUTQOASA-N 2 0 310.416 3.647 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCC2 ZINC000643534702 1024541355 /nfs/dbraw/zinc/54/13/55/1024541355.db2.gz AHFADILXOZQISS-IAGOWNOFSA-N 2 0 304.865 3.839 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000532224989 1024578918 /nfs/dbraw/zinc/57/89/18/1024578918.db2.gz IRIAJHHTSNOGNI-OYGLOCFBSA-N 2 0 300.490 3.890 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1cn2ccc(C)cc2n1 ZINC001167835244 1024612447 /nfs/dbraw/zinc/61/24/47/1024612447.db2.gz PPPNLPSRAJCQRU-KRWDZBQOSA-N 2 0 316.493 3.585 20 0 DHADRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccc1C ZINC000194184411 1024617867 /nfs/dbraw/zinc/61/78/67/1024617867.db2.gz MXFNEOXEACORFY-UHFFFAOYSA-N 2 0 324.468 3.889 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390898313 1024619311 /nfs/dbraw/zinc/61/93/11/1024619311.db2.gz FOCDBYHWJDGPQI-NJAFHUGGSA-N 2 0 318.530 3.628 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458557 1024625991 /nfs/dbraw/zinc/62/59/91/1024625991.db2.gz DFYZNPJBWXFOFT-XKNYDFJKSA-N 2 0 320.321 3.611 20 0 DHADRP Clc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000166721540 1024641374 /nfs/dbraw/zinc/64/13/74/1024641374.db2.gz RJYMVEAVRGVESP-HZPDHXFCSA-N 2 0 317.864 3.580 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001167840710 1024649406 /nfs/dbraw/zinc/64/94/06/1024649406.db2.gz HSPHLGZUHSIWOH-HKUYNNGSSA-N 2 0 318.505 3.995 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001167840946 1024653927 /nfs/dbraw/zinc/65/39/27/1024653927.db2.gz INTZYXIEUZEKPU-HKUYNNGSSA-N 2 0 318.505 3.995 20 0 DHADRP CC[N@H+](C/C=C/c1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348968406 1024656081 /nfs/dbraw/zinc/65/60/81/1024656081.db2.gz RSGWJVVTSHQKAW-AATRIKPKSA-N 2 0 309.457 3.679 20 0 DHADRP CCc1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000348961292 1024656781 /nfs/dbraw/zinc/65/67/81/1024656781.db2.gz DQOMMFNIKPJOIG-UHFFFAOYSA-N 2 0 300.446 3.926 20 0 DHADRP CC[N@H+](C/C=C\c1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348968408 1024656846 /nfs/dbraw/zinc/65/68/46/1024656846.db2.gz RSGWJVVTSHQKAW-WAYWQWQTSA-N 2 0 309.457 3.679 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Cc2ccncc2)CC1 ZINC001167841723 1024661600 /nfs/dbraw/zinc/66/16/00/1024661600.db2.gz PPCKLSOCPKWPHC-SFHVURJKSA-N 2 0 317.521 3.847 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000666132825 1024717337 /nfs/dbraw/zinc/71/73/37/1024717337.db2.gz XDKBKIRLVDAWHV-INIZCTEOSA-N 2 0 318.892 3.661 20 0 DHADRP C[C@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001170255207 1024725785 /nfs/dbraw/zinc/72/57/85/1024725785.db2.gz CAQMARYSRQZHKC-CQSZACIVSA-N 2 0 306.881 3.878 20 0 DHADRP [NH3+]Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170331543 1024747325 /nfs/dbraw/zinc/74/73/25/1024747325.db2.gz YSCLLWBCNLFWQJ-MZADTFQBSA-N 2 0 321.468 3.753 20 0 DHADRP CCCCCC[C@H](CCCC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001172511404 1033238792 /nfs/dbraw/zinc/23/87/92/1033238792.db2.gz QKAKXCRUJJHZHM-IBGZPJMESA-N 2 0 311.558 3.743 20 0 DHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC1(F)F ZINC000666227311 1024811543 /nfs/dbraw/zinc/81/15/43/1024811543.db2.gz DYXWHRBSCSIKKD-FRKNIRMPSA-N 2 0 320.427 3.815 20 0 DHADRP CC(C)O[C@@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000877114124 1033242971 /nfs/dbraw/zinc/24/29/71/1033242971.db2.gz LFICFYRCVDLLME-UUKMXZOPSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)C(C)(C)C)C1 ZINC000753724459 1024931243 /nfs/dbraw/zinc/93/12/43/1024931243.db2.gz MGYCUCWLLVGJFW-IRXDYDNUSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000119121290 1024950717 /nfs/dbraw/zinc/95/07/17/1024950717.db2.gz AMKYTJYXRKBFQP-IIBYNOLFSA-N 2 0 324.468 3.965 20 0 DHADRP CCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000793241777 1024957864 /nfs/dbraw/zinc/95/78/64/1024957864.db2.gz XPUMUWAIZVFYTM-RTBURBONSA-N 2 0 318.505 3.741 20 0 DHADRP FCCC1CC[NH+](CCC[NH+]2CCC(CCF)CC2)CC1 ZINC000639989667 1025010640 /nfs/dbraw/zinc/01/06/40/1025010640.db2.gz KKXSFGKZCJJKLB-UHFFFAOYSA-N 2 0 302.453 3.520 20 0 DHADRP CO[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000663758971 1025045986 /nfs/dbraw/zinc/04/59/86/1025045986.db2.gz LUIORDXDAZSQOI-HXUWFJFHSA-N 2 0 316.489 3.673 20 0 DHADRP Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000353387965 1025049352 /nfs/dbraw/zinc/04/93/52/1025049352.db2.gz PBRFHADABHQZLL-MOPGFXCFSA-N 2 0 320.452 3.511 20 0 DHADRP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](CC1CCC1)CC2 ZINC001202721252 1025051917 /nfs/dbraw/zinc/05/19/17/1025051917.db2.gz BYROLCANVGNLAU-UHFFFAOYSA-N 2 0 317.477 3.522 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000120958867 1025063793 /nfs/dbraw/zinc/06/37/93/1025063793.db2.gz LPMLQIRIGDHPPR-ZDUSSCGKSA-N 2 0 304.384 3.877 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000353521837 1025106001 /nfs/dbraw/zinc/10/60/01/1025106001.db2.gz SSIHCDVDCVUWSB-JLAWEPINSA-N 2 0 318.530 3.915 20 0 DHADRP CCCCc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000321664224 1025117974 /nfs/dbraw/zinc/11/79/74/1025117974.db2.gz RGVRCGXNSVZKLH-DBVUQKKJSA-N 2 0 316.489 3.543 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C3CC3)ccn2)[C@H](C)C1 ZINC000353552258 1025124890 /nfs/dbraw/zinc/12/48/90/1025124890.db2.gz YFNHZHCKQVQOBA-CRAIPNDOSA-N 2 0 317.477 3.508 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000539045334 1033262104 /nfs/dbraw/zinc/26/21/04/1033262104.db2.gz KHGHHVNNFWNLNZ-PKOBYXMFSA-N 2 0 324.553 3.929 20 0 DHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1F ZINC000353606284 1025148446 /nfs/dbraw/zinc/14/84/46/1025148446.db2.gz DJLALGSHSAUDQO-MRXNPFEDSA-N 2 0 310.482 3.694 20 0 DHADRP CSC1(C[NH2+][C@H](C)c2cc(C)sc2C)CC[NH+](C)CC1 ZINC000353610450 1025154464 /nfs/dbraw/zinc/15/44/64/1025154464.db2.gz MSEHOFYBQDFLAO-CYBMUJFWSA-N 2 0 312.548 3.843 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCCC2)[C@H](C)C1 ZINC000539045332 1033263392 /nfs/dbraw/zinc/26/33/92/1033263392.db2.gz KHGHHVNNFWNLNZ-IEBWSBKVSA-N 2 0 324.553 3.929 20 0 DHADRP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400964538 1025203263 /nfs/dbraw/zinc/20/32/63/1025203263.db2.gz KADMXVMDYSADAR-VVLHAWIVSA-N 2 0 302.462 3.513 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000539071068 1033268241 /nfs/dbraw/zinc/26/82/41/1033268241.db2.gz MTCGPPUOFOFADK-QRVBRYPASA-N 2 0 318.505 3.843 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000539072333 1033268798 /nfs/dbraw/zinc/26/87/98/1033268798.db2.gz PPCCTYVTUJZIGS-GPMSIDNRSA-N 2 0 318.505 3.681 20 0 DHADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]1 ZINC000666624564 1025295442 /nfs/dbraw/zinc/29/54/42/1025295442.db2.gz TYDLUSBGOOLBAH-RYRKJORJSA-N 2 0 311.473 3.735 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCc2ccccn2)CC1)CC(C)C ZINC000539099188 1033274972 /nfs/dbraw/zinc/27/49/72/1033274972.db2.gz RHNJPXRJYGGHKX-UHFFFAOYSA-N 2 0 317.521 3.704 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000124364696 1025335166 /nfs/dbraw/zinc/33/51/66/1025335166.db2.gz MJUMKVCHDUGLRD-OLZOCXBDSA-N 2 0 312.379 3.840 20 0 DHADRP Cc1ccc2nc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)ccc2c1 ZINC001137218996 1025346140 /nfs/dbraw/zinc/34/61/40/1025346140.db2.gz VHHIFJNEJZSPKA-UHFFFAOYSA-N 2 0 323.484 3.851 20 0 DHADRP Cc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000366249344 1025392425 /nfs/dbraw/zinc/39/24/25/1025392425.db2.gz JRTVKRAYWWTIMJ-JXFKEZNVSA-N 2 0 315.505 3.565 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000123677748 1025394807 /nfs/dbraw/zinc/39/48/07/1025394807.db2.gz DYMQWEUBZUNQGW-IBGZPJMESA-N 2 0 310.441 3.752 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000885905119 1025401508 /nfs/dbraw/zinc/40/15/08/1025401508.db2.gz IBZFFLDRALFBLW-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000925875692 1025403218 /nfs/dbraw/zinc/40/32/18/1025403218.db2.gz MESBBBYVACRRTI-LOWVWBTDSA-N 2 0 300.418 3.779 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000925876119 1025405444 /nfs/dbraw/zinc/40/54/44/1025405444.db2.gz RHVBLIRMAWCTEG-GUTXKFCHSA-N 2 0 301.459 3.588 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886041737 1025447773 /nfs/dbraw/zinc/44/77/73/1025447773.db2.gz QFBWUTXSWCAOQR-MOPGFXCFSA-N 2 0 322.537 3.826 20 0 DHADRP c1cc(C[NH+]2CCC(Nc3ccc(C4CCC4)cn3)CC2)ccn1 ZINC000354558595 1025453887 /nfs/dbraw/zinc/45/38/87/1025453887.db2.gz HUTGKKZRUAUJRF-UHFFFAOYSA-N 2 0 322.456 3.821 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888616 1025454596 /nfs/dbraw/zinc/45/45/96/1025454596.db2.gz WGAVVDWKSXGSRC-KYJSFNMBSA-N 2 0 306.519 3.555 20 0 DHADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000354588055 1025461418 /nfs/dbraw/zinc/46/14/18/1025461418.db2.gz UYVSNMYTQLVQPZ-VQTJNVASSA-N 2 0 316.489 3.577 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](C)OCc2ccccc2)[C@H](C)C1 ZINC000354670646 1025477926 /nfs/dbraw/zinc/47/79/26/1025477926.db2.gz LXXSSKHQLIXNLX-GGPKGHCWSA-N 2 0 318.505 3.644 20 0 DHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125780355 1025491916 /nfs/dbraw/zinc/49/19/16/1025491916.db2.gz MPZOIPNHJVZVMO-PKOBYXMFSA-N 2 0 316.489 3.919 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CCC2 ZINC000125968423 1025497324 /nfs/dbraw/zinc/49/73/24/1025497324.db2.gz PSYIZCQQEGTUAS-HUUCEWRRSA-N 2 0 309.523 3.785 20 0 DHADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354963579 1025559790 /nfs/dbraw/zinc/55/97/90/1025559790.db2.gz GVXIXNSKGWYQLK-AFIMGQEJSA-N 2 0 322.880 3.632 20 0 DHADRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])Nc2ccccc2)cc1 ZINC000057887575 1025566701 /nfs/dbraw/zinc/56/67/01/1025566701.db2.gz UYRQBRHDJFOPHX-UHFFFAOYSA-N 2 0 310.445 3.665 20 0 DHADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)N(C)C1CC1 ZINC000130976523 1025676318 /nfs/dbraw/zinc/67/63/18/1025676318.db2.gz FMTIHIUIOHSCMA-MCIONIFRSA-N 2 0 317.502 3.861 20 0 DHADRP Cc1noc(C)c1[C@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886554946 1025699882 /nfs/dbraw/zinc/69/98/82/1025699882.db2.gz HIDNVRDYRMKINV-ZCGYKAAXSA-N 2 0 319.493 3.782 20 0 DHADRP CC(C)C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886580833 1025718181 /nfs/dbraw/zinc/71/81/81/1025718181.db2.gz ZUHAJLZYYPIDDU-NUVZVAJJSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1nccs1 ZINC000886589844 1025725710 /nfs/dbraw/zinc/72/57/10/1025725710.db2.gz HLDXPLXHZQRQMK-UQPPLGOBSA-N 2 0 307.507 3.633 20 0 DHADRP COc1cc(NC(=[NH2+])SCC[NH3+])ccc1Oc1ccccc1 ZINC001167914929 1025739505 /nfs/dbraw/zinc/73/95/05/1025739505.db2.gz BNVJIPUJKDTBJO-UHFFFAOYSA-N 2 0 317.414 3.526 20 0 DHADRP C[C@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000886618649 1025744218 /nfs/dbraw/zinc/74/42/18/1025744218.db2.gz GYPYNAWQENAVSQ-SHARSMKWSA-N 2 0 319.320 3.957 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccncc1Br ZINC000132500790 1025744692 /nfs/dbraw/zinc/74/46/92/1025744692.db2.gz OYFLHDCAULERSG-LBPRGKRZSA-N 2 0 312.255 3.521 20 0 DHADRP CC1(C)C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886623910 1025746682 /nfs/dbraw/zinc/74/66/82/1025746682.db2.gz SLSMTQRIZGRNDO-LRYGQEGESA-N 2 0 308.510 3.578 20 0 DHADRP Cc1cc(C)c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000886622650 1025746730 /nfs/dbraw/zinc/74/67/30/1025746730.db2.gz ZMDAOFXMEKPYOH-UHFFFAOYSA-N 2 0 301.478 3.585 20 0 DHADRP COCC1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886626721 1025747785 /nfs/dbraw/zinc/74/77/85/1025747785.db2.gz JNRJVXPZOIPEAU-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC2SCCS2)CC1 ZINC000886639567 1025753636 /nfs/dbraw/zinc/75/36/36/1025753636.db2.gz GDTCVSFCMNLTIR-UHFFFAOYSA-N 2 0 314.564 3.569 20 0 DHADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133195719 1025769110 /nfs/dbraw/zinc/76/91/10/1025769110.db2.gz CIMQDZYADWKEJF-PIKOESSRSA-N 2 0 322.537 3.538 20 0 DHADRP CCOc1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860126 1025820199 /nfs/dbraw/zinc/82/01/99/1025820199.db2.gz JBHBWWNWEPRBRT-APWZRJJASA-N 2 0 314.473 3.534 20 0 DHADRP CCSCC[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000355738249 1025823125 /nfs/dbraw/zinc/82/31/25/1025823125.db2.gz QPGISFNBFQWSRN-INIZCTEOSA-N 2 0 306.519 3.904 20 0 DHADRP CC(C)c1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000806167564 1025824348 /nfs/dbraw/zinc/82/43/48/1025824348.db2.gz AAHYXSRGLTXJSP-UXDRXVOSSA-N 2 0 316.489 3.792 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+]([C@H](CCOC)c2ccccc2)CC1 ZINC000886716388 1025826020 /nfs/dbraw/zinc/82/60/20/1025826020.db2.gz XNKLMQCWOYUVPE-LJQANCHMSA-N 2 0 316.489 3.715 20 0 DHADRP CC(C)[N@@H+](CC[C@H](C)CCCC(C)(C)O)[C@H]1CCC[NH2+]CC1 ZINC001206584339 1025854255 /nfs/dbraw/zinc/85/42/55/1025854255.db2.gz YNYRDKIWKXJVPA-MSOLQXFVSA-N 2 0 312.542 3.806 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000136598871 1025867848 /nfs/dbraw/zinc/86/78/48/1025867848.db2.gz YHUYIZODEPWQIX-AOIWGVFYSA-N 2 0 309.457 3.643 20 0 DHADRP Clc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167916594 1025886761 /nfs/dbraw/zinc/88/67/61/1025886761.db2.gz HWTXYLFENGVPLF-DZFIZOCASA-N 2 0 318.892 3.940 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)c(OC)c2)[C@H](C)C1 ZINC000081095657 1025975983 /nfs/dbraw/zinc/97/59/83/1025975983.db2.gz YDXMOHNWPBCUSX-ZBFHGGJFSA-N 2 0 322.518 3.579 20 0 DHADRP C[N@H+](CCc1ccncc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411451240 1026014545 /nfs/dbraw/zinc/01/45/45/1026014545.db2.gz ZFWJGLQJOPOOSS-UHFFFAOYSA-N 2 0 323.484 3.742 20 0 DHADRP C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237624401 1026017033 /nfs/dbraw/zinc/01/70/33/1026017033.db2.gz VDOYQGAACPHYQC-MIALQEHNSA-N 2 0 316.489 3.574 20 0 DHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000086253246 1026018946 /nfs/dbraw/zinc/01/89/46/1026018946.db2.gz FTPXMFGKQILYNM-UHFFFAOYSA-N 2 0 317.864 3.670 20 0 DHADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000411693708 1026088393 /nfs/dbraw/zinc/08/83/93/1026088393.db2.gz MFSBMRNGYKWLIF-FXAWDEMLSA-N 2 0 316.489 3.672 20 0 DHADRP C[C@H]1C[C@@H](N(C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644578 1026121500 /nfs/dbraw/zinc/12/15/00/1026121500.db2.gz RTDLZNJBDLLZJA-NHYWBVRUSA-N 2 0 318.358 3.759 20 0 DHADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647790293 1026127825 /nfs/dbraw/zinc/12/78/25/1026127825.db2.gz VQTCTHKESMTHRV-OGWHTMIXSA-N 2 0 316.489 3.650 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1O ZINC000289996986 1026272607 /nfs/dbraw/zinc/27/26/07/1026272607.db2.gz YSNBNEUAMCBJGY-HZPDHXFCSA-N 2 0 320.477 3.706 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261760812 1026298491 /nfs/dbraw/zinc/29/84/91/1026298491.db2.gz CZHCEJAMMNLYSD-NUEKZKHPSA-N 2 0 312.379 3.573 20 0 DHADRP c1ccc(CCCCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727477 1026361937 /nfs/dbraw/zinc/36/19/37/1026361937.db2.gz AOIGANCNQGBCRK-UHFFFAOYSA-N 2 0 300.490 3.865 20 0 DHADRP Clc1cccc(CC2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647799456 1026434009 /nfs/dbraw/zinc/43/40/09/1026434009.db2.gz HKMPFAKTLLTJIY-SOLBZPMBSA-N 2 0 318.892 3.640 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]3c3ccco3)CC2)C1 ZINC000414338279 1026556855 /nfs/dbraw/zinc/55/68/55/1026556855.db2.gz LRXAEEZEQOAPHM-VDHUWJSZSA-N 2 0 302.462 3.768 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000513679607 1026557866 /nfs/dbraw/zinc/55/78/66/1026557866.db2.gz YGQQPNCVAWQQGJ-QHAWAJNXSA-N 2 0 308.469 3.845 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCSC2)C3)cc1 ZINC000280068178 1026580952 /nfs/dbraw/zinc/58/09/52/1026580952.db2.gz LYPKFKWEFNCGIB-CADBVGFASA-N 2 0 316.514 3.525 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2=Cc3ccccc3OC2)cc1 ZINC000809737084 1026609412 /nfs/dbraw/zinc/60/94/12/1026609412.db2.gz CUWQNCGPNQOYKO-UHFFFAOYSA-N 2 0 322.452 3.656 20 0 DHADRP C[NH2+]C[C@@H]1CCCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)C1 ZINC000420125367 1026783694 /nfs/dbraw/zinc/78/36/94/1026783694.db2.gz PPLFGOHDOGFSDO-AWEZNQCLSA-N 2 0 317.864 3.941 20 0 DHADRP FC(F)(F)c1ccccc1C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420297417 1026797139 /nfs/dbraw/zinc/79/71/39/1026797139.db2.gz DGYQRTKBDTVKPR-CYBMUJFWSA-N 2 0 312.379 3.669 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](c3ccccc3C)C2)cc1 ZINC000420297775 1026797802 /nfs/dbraw/zinc/79/78/02/1026797802.db2.gz GEQDPSURDYNLAU-MOPGFXCFSA-N 2 0 324.468 3.535 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000420297374 1026798299 /nfs/dbraw/zinc/79/82/99/1026798299.db2.gz DBYXRTYUOMKVEX-AEFFLSMTSA-N 2 0 316.470 3.636 20 0 DHADRP CC(C)CCc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420321024 1026803695 /nfs/dbraw/zinc/80/36/95/1026803695.db2.gz CDBNAIZHISJEOB-JKSUJKDBSA-N 2 0 321.534 3.553 20 0 DHADRP c1csc([C@@H]2c3ccsc3CC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420327330 1026805265 /nfs/dbraw/zinc/80/52/65/1026805265.db2.gz YIJIVCCMSBMKRY-DYVFJYSZSA-N 2 0 318.511 3.757 20 0 DHADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)CCC2 ZINC000420330990 1026807016 /nfs/dbraw/zinc/80/70/16/1026807016.db2.gz QLOATJJEXFHDNQ-FRQCXROJSA-N 2 0 302.437 3.525 20 0 DHADRP c1csc([C@H]2c3ccsc3CC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420327328 1026807038 /nfs/dbraw/zinc/80/70/38/1026807038.db2.gz YIJIVCCMSBMKRY-CXAGYDPISA-N 2 0 318.511 3.757 20 0 DHADRP c1sc(C2CCCC2)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335537 1026807387 /nfs/dbraw/zinc/80/73/87/1026807387.db2.gz VDHNWKBJZBKWOE-HOTGVXAUSA-N 2 0 319.518 3.622 20 0 DHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCSc1ccccc1Cl ZINC000420355465 1026807426 /nfs/dbraw/zinc/80/74/26/1026807426.db2.gz FGOXNCFLLHZGHR-HNNXBMFYSA-N 2 0 312.910 3.800 20 0 DHADRP c1csc([C@@H]2c3ccsc3CC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420327332 1026807788 /nfs/dbraw/zinc/80/77/88/1026807788.db2.gz YIJIVCCMSBMKRY-GUYCJALGSA-N 2 0 318.511 3.757 20 0 DHADRP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCC[NH3+])c1 ZINC000420372648 1026808806 /nfs/dbraw/zinc/80/88/06/1026808806.db2.gz LQERSDDCDVCOFH-WOJBJXKFSA-N 2 0 310.441 3.575 20 0 DHADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420386940 1026811183 /nfs/dbraw/zinc/81/11/83/1026811183.db2.gz VJKKOVIFYXQFQX-FSPWUOQZSA-N 2 0 322.880 3.619 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420383731 1026811463 /nfs/dbraw/zinc/81/14/63/1026811463.db2.gz ZYCABXNQOBVEBJ-VHSXEESVSA-N 2 0 305.224 3.783 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)[C@H](C)c2ccccc2)cc1 ZINC000420418570 1026813441 /nfs/dbraw/zinc/81/34/41/1026813441.db2.gz WXFLMGLFGHZCCT-TXPKVOOTSA-N 2 0 312.457 3.519 20 0 DHADRP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000421380161 1026971804 /nfs/dbraw/zinc/97/18/04/1026971804.db2.gz LVCQQCYJHOWZMG-NQIIRXRSSA-N 2 0 323.484 3.699 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000421380256 1026972926 /nfs/dbraw/zinc/97/29/26/1026972926.db2.gz XZEWOCSGFGOTQL-UHFFFAOYSA-N 2 0 321.515 3.834 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2(OC)CCCC2)c1 ZINC000421824701 1027059380 /nfs/dbraw/zinc/05/93/80/1027059380.db2.gz JXTMNZFDHGMERS-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000421833717 1027062617 /nfs/dbraw/zinc/06/26/17/1027062617.db2.gz AYDDPWWNUYWZQR-CYBMUJFWSA-N 2 0 312.860 3.732 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4s3)C2)C1 ZINC000571302262 1027119525 /nfs/dbraw/zinc/11/95/25/1027119525.db2.gz JSEYQQCCWCYWFW-GOSISDBHSA-N 2 0 300.471 3.819 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000571545111 1027133606 /nfs/dbraw/zinc/13/36/06/1027133606.db2.gz QWRCIEKRRVUXQO-GHRIWEEISA-N 2 0 316.489 3.558 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](CCSCc3ccccc3)C2)CC1 ZINC000571841874 1027151786 /nfs/dbraw/zinc/15/17/86/1027151786.db2.gz PKPMXBHEGKITQQ-IBGZPJMESA-N 2 0 318.530 3.584 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000561976908 1027153262 /nfs/dbraw/zinc/15/32/62/1027153262.db2.gz WTMXJNOBFUYFAS-GJZGRUSLSA-N 2 0 310.432 3.606 20 0 DHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(SC(F)F)cc1 ZINC000271852981 1027163965 /nfs/dbraw/zinc/16/39/65/1027163965.db2.gz IYVFUYDDFSYYRI-LBPRGKRZSA-N 2 0 312.429 3.914 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000572186908 1027179927 /nfs/dbraw/zinc/17/99/27/1027179927.db2.gz UTUDQPZTMLBLTB-LJQANCHMSA-N 2 0 304.478 3.714 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663546 1027191231 /nfs/dbraw/zinc/19/12/31/1027191231.db2.gz FBISSFWKCGRGNS-YOEHRIQHSA-N 2 0 324.459 3.922 20 0 DHADRP CCCC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000562139852 1027255337 /nfs/dbraw/zinc/25/53/37/1027255337.db2.gz PXRJRMVKCDEMGA-UHFFFAOYSA-N 2 0 318.509 3.999 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccc(OC)cc1 ZINC000573258382 1027275197 /nfs/dbraw/zinc/27/51/97/1027275197.db2.gz YYZYQTDYIIATHG-FQEVSTJZSA-N 2 0 310.441 3.582 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000573396514 1027290198 /nfs/dbraw/zinc/29/01/98/1027290198.db2.gz GEUWYONIQGVFOT-UHFFFAOYSA-N 2 0 314.429 3.893 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422709164 1027296411 /nfs/dbraw/zinc/29/64/11/1027296411.db2.gz CZBFDZGTYIFNLJ-XHDPSFHLSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C)C1 ZINC000422730652 1027299077 /nfs/dbraw/zinc/29/90/77/1027299077.db2.gz MMQWVCAPTFMUBP-YCWKWXDGSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422730515 1027301126 /nfs/dbraw/zinc/30/11/26/1027301126.db2.gz JXSCNSGZSFYAEB-IAGOWNOFSA-N 2 0 317.521 3.667 20 0 DHADRP COc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1OC1CCCC1 ZINC000422737067 1027303300 /nfs/dbraw/zinc/30/33/00/1027303300.db2.gz XCERKGDHDIQAKD-HNNXBMFYSA-N 2 0 320.477 3.624 20 0 DHADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422723244 1027307524 /nfs/dbraw/zinc/30/75/24/1027307524.db2.gz QOLSCBLYTUAPFS-GJYPPUQNSA-N 2 0 304.478 3.525 20 0 DHADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1Cl ZINC000422726161 1027308501 /nfs/dbraw/zinc/30/85/01/1027308501.db2.gz DGSKOLVZZJCWNU-PBWFPOADSA-N 2 0 310.844 3.629 20 0 DHADRP CN(CCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422745040 1027310358 /nfs/dbraw/zinc/31/03/58/1027310358.db2.gz XBLJYOVPKAZHQR-UXHICEINSA-N 2 0 309.457 3.637 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000422739593 1027311743 /nfs/dbraw/zinc/31/17/43/1027311743.db2.gz ADTBAAXEBWWEKS-SJORKVTESA-N 2 0 323.550 3.628 20 0 DHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422769300 1027313889 /nfs/dbraw/zinc/31/38/89/1027313889.db2.gz ONZMYCHUWNSXIX-OKZBNKHCSA-N 2 0 318.892 3.882 20 0 DHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422754594 1027314590 /nfs/dbraw/zinc/31/45/90/1027314590.db2.gz FBHTZHMSEBHPON-RHSMWYFYSA-N 2 0 300.471 3.538 20 0 DHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCSc1ccccc1 ZINC000422768625 1027316047 /nfs/dbraw/zinc/31/60/47/1027316047.db2.gz ZHVQXKDSJKKSIC-VQIMIIECSA-N 2 0 314.498 3.717 20 0 DHADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422779435 1027316711 /nfs/dbraw/zinc/31/67/11/1027316711.db2.gz ISMANSMAFYPVBZ-CGTJXYLNSA-N 2 0 306.881 3.783 20 0 DHADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])Sc1ccccc1 ZINC000422778901 1027317117 /nfs/dbraw/zinc/31/71/17/1027317117.db2.gz BCTSOTUIZKENEZ-JTDSTZFVSA-N 2 0 314.498 3.715 20 0 DHADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422776070 1027318020 /nfs/dbraw/zinc/31/80/20/1027318020.db2.gz CBYDCGUHPVQLFS-CEXWTWQISA-N 2 0 300.490 3.783 20 0 DHADRP CC1(C)CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422785192 1027319310 /nfs/dbraw/zinc/31/93/10/1027319310.db2.gz PERMYLIZVRKUSC-PXNSSMCTSA-N 2 0 314.473 3.801 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2ccccc2n1 ZINC000422780072 1027319498 /nfs/dbraw/zinc/31/94/98/1027319498.db2.gz JSZFEYPSNMKKLU-LPHOPBHVSA-N 2 0 311.473 3.678 20 0 DHADRP CC(C)(C)CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000573711567 1027321063 /nfs/dbraw/zinc/32/10/63/1027321063.db2.gz MDLJLPOVOMYTFG-APWZRJJASA-N 2 0 302.462 3.658 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422795220 1027323135 /nfs/dbraw/zinc/32/31/35/1027323135.db2.gz ZTUFGBAXAJEGLF-CHWSQXEVSA-N 2 0 314.395 3.843 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000422803963 1027326372 /nfs/dbraw/zinc/32/63/72/1027326372.db2.gz DSDSJUMGVHLSMT-FRRDWIJNSA-N 2 0 302.384 3.914 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422810180 1027331780 /nfs/dbraw/zinc/33/17/80/1027331780.db2.gz SZRSCKCYFUDRSQ-YOEHRIQHSA-N 2 0 309.457 3.619 20 0 DHADRP [NH3+][C@@H]1C[C@@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)c2ccccc21 ZINC000422808002 1027332301 /nfs/dbraw/zinc/33/23/01/1027332301.db2.gz PQIFBSDZCOEPEB-NJDAHSKKSA-N 2 0 321.468 3.558 20 0 DHADRP COc1ccccc1[C@H](CC(C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422808102 1027333025 /nfs/dbraw/zinc/33/30/25/1027333025.db2.gz AFVXNNCTTWUTBB-HTWSVDAQSA-N 2 0 304.478 3.890 20 0 DHADRP CCOCc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000422832932 1027334144 /nfs/dbraw/zinc/33/41/44/1027334144.db2.gz LUSUUYNPTCQQLO-VQIMIIECSA-N 2 0 304.478 3.624 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])s2)cc1 ZINC000422831194 1027334026 /nfs/dbraw/zinc/33/40/26/1027334026.db2.gz WLXOLESUVZSVJT-QWHCGFSZSA-N 2 0 304.459 3.639 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422860536 1027343361 /nfs/dbraw/zinc/34/33/61/1027343361.db2.gz LMELUPUVFFRENA-IRXDYDNUSA-N 2 0 312.457 3.619 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422862929 1027343861 /nfs/dbraw/zinc/34/38/61/1027343861.db2.gz OFKYSRHEMXCETL-RTWAWAEBSA-N 2 0 324.468 3.620 20 0 DHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422880684 1027346110 /nfs/dbraw/zinc/34/61/10/1027346110.db2.gz XMMHEFNRBQPBLY-BZUAXINKSA-N 2 0 324.415 3.607 20 0 DHADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422842783 1027347851 /nfs/dbraw/zinc/34/78/51/1027347851.db2.gz GKNCEGAAZYSFNY-GUDVDZBRSA-N 2 0 311.473 3.529 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422867390 1027348035 /nfs/dbraw/zinc/34/80/35/1027348035.db2.gz SBSTWXOWNUAJJE-SJORKVTESA-N 2 0 312.457 3.619 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000422885216 1027348848 /nfs/dbraw/zinc/34/88/48/1027348848.db2.gz GKUKEVDDBKAQKB-QUCCMNQESA-N 2 0 305.425 3.835 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422883489 1027349962 /nfs/dbraw/zinc/34/99/62/1027349962.db2.gz CIBADGFUUUIWNO-SUMWQHHRSA-N 2 0 303.837 3.541 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422888039 1027350722 /nfs/dbraw/zinc/35/07/22/1027350722.db2.gz ZTSRRMMSCOFFKP-QRVBRYPASA-N 3 0 309.542 3.541 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000422892132 1027350760 /nfs/dbraw/zinc/35/07/60/1027350760.db2.gz MHTUNXGVSYXJSP-UHFFFAOYSA-N 2 0 324.468 3.873 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422885058 1027351427 /nfs/dbraw/zinc/35/14/27/1027351427.db2.gz TWPZNANUNNSJIF-LAUBAEHRSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(OCC(F)(F)F)c1 ZINC000422869950 1027351967 /nfs/dbraw/zinc/35/19/67/1027351967.db2.gz WXOJZJAFUFFCGC-CYBMUJFWSA-N 2 0 318.383 3.543 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000422900522 1027352736 /nfs/dbraw/zinc/35/27/36/1027352736.db2.gz JMGIAOCYEGCNNI-XGNXJENSSA-N 2 0 316.367 3.548 20 0 DHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422901626 1027353415 /nfs/dbraw/zinc/35/34/15/1027353415.db2.gz SJGWCQQOWYZIKU-CEXWTWQISA-N 2 0 316.464 3.758 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000422872232 1027354486 /nfs/dbraw/zinc/35/44/86/1027354486.db2.gz GFOOKQVJTBNAMJ-TUBUQKNSSA-N 2 0 320.452 3.783 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422910726 1027357435 /nfs/dbraw/zinc/35/74/35/1027357435.db2.gz RPDUXKGLDFPKOE-PBHICJAKSA-N 2 0 306.881 3.739 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000422913874 1027359577 /nfs/dbraw/zinc/35/95/77/1027359577.db2.gz RATISLINRCHPCR-FOIQADDNSA-N 2 0 309.457 3.521 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422924953 1027360885 /nfs/dbraw/zinc/36/08/85/1027360885.db2.gz ZLTIFIMBJSEAMD-IUODEOHRSA-N 2 0 312.860 3.734 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000422922546 1027361673 /nfs/dbraw/zinc/36/16/73/1027361673.db2.gz TYCQBNMFTIJZCM-WNRNVDISSA-N 2 0 322.880 3.538 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(OC(F)(F)F)c1 ZINC000422929741 1027364964 /nfs/dbraw/zinc/36/49/64/1027364964.db2.gz RJAIYUUUKOVMQO-PKSQDBQZSA-N 2 0 302.340 3.506 20 0 DHADRP CC(C)CC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422928332 1027366349 /nfs/dbraw/zinc/36/63/49/1027366349.db2.gz KBENPCBDBMQXPC-FXAWDEMLSA-N 2 0 314.473 3.658 20 0 DHADRP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422935295 1027366466 /nfs/dbraw/zinc/36/64/66/1027366466.db2.gz HDJOTHHVBONFJW-CPLYBDICSA-N 2 0 322.537 3.586 20 0 DHADRP CC1(C)CC2(CC([NH2+]CCCCCCC[NH+]3CCCC3)C2)CO1 ZINC000924958811 1027366592 /nfs/dbraw/zinc/36/65/92/1027366592.db2.gz MBOLAHJVPDRQNE-UHFFFAOYSA-N 2 0 322.537 3.970 20 0 DHADRP COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422943389 1027369159 /nfs/dbraw/zinc/36/91/59/1027369159.db2.gz KFDSVMQXAUDSBZ-XHSDSOJGSA-N 2 0 322.518 3.544 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccc2ccccc21 ZINC000422943339 1027369302 /nfs/dbraw/zinc/36/93/02/1027369302.db2.gz YBYVHPZFAIBMAI-VGSWGCGISA-N 2 0 318.464 3.930 20 0 DHADRP CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917452 1027371279 /nfs/dbraw/zinc/37/12/79/1027371279.db2.gz DXJCYLDVWVWHIC-YNEHKIRRSA-N 2 0 318.383 3.578 20 0 DHADRP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422946821 1027375487 /nfs/dbraw/zinc/37/54/87/1027375487.db2.gz PIIXESSOHBWYSN-BRWVUGGUSA-N 2 0 324.415 3.688 20 0 DHADRP COc1cccc(C[C@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc2)c1 ZINC000422945614 1027376462 /nfs/dbraw/zinc/37/64/62/1027376462.db2.gz VGMPUADMQBYIFZ-GRERDSQWSA-N 2 0 324.468 3.839 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H](C)CCC[NH3+])c2ccc(F)cc2)cc1 ZINC000422945663 1027376473 /nfs/dbraw/zinc/37/64/73/1027376473.db2.gz NPLMMVADRCIRQJ-AUUYWEPGSA-N 2 0 316.420 3.641 20 0 DHADRP Clc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422944276 1027376881 /nfs/dbraw/zinc/37/68/81/1027376881.db2.gz LGJGBALVMGTBRK-RCCFBDPRSA-N 2 0 306.881 3.783 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000422956350 1027379086 /nfs/dbraw/zinc/37/90/86/1027379086.db2.gz KVJDYRJZBQKVIY-OXQOHEQNSA-N 2 0 312.457 3.892 20 0 DHADRP [NH3+]CC1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC000422951069 1027380945 /nfs/dbraw/zinc/38/09/45/1027380945.db2.gz XIZMBDNPEGOVGZ-UHFFFAOYSA-N 2 0 301.261 3.643 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000422991911 1027382310 /nfs/dbraw/zinc/38/23/10/1027382310.db2.gz QLFANPLPTPCCBN-SWLSCSKDSA-N 2 0 300.393 3.846 20 0 DHADRP CCCOc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422993136 1027384454 /nfs/dbraw/zinc/38/44/54/1027384454.db2.gz SLBLDPCSKOMZIN-XUVXKRRUSA-N 2 0 316.489 3.528 20 0 DHADRP CC(C)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423002453 1027387379 /nfs/dbraw/zinc/38/73/79/1027387379.db2.gz ZAANNPRCIZDRES-IAQYHMDHSA-N 2 0 300.368 3.600 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423015690 1027389975 /nfs/dbraw/zinc/38/99/75/1027389975.db2.gz AMTKLYWOWKZAOE-RDTXWAMCSA-N 2 0 317.864 3.736 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012422 1027390446 /nfs/dbraw/zinc/39/04/46/1027390446.db2.gz KUYCNBGBSKMIOO-RYUDHWBXSA-N 2 0 323.893 3.721 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006589 1027390491 /nfs/dbraw/zinc/39/04/91/1027390491.db2.gz VZAITAHFTWIFRE-OALUTQOASA-N 2 0 314.404 3.630 20 0 DHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423016037 1027390617 /nfs/dbraw/zinc/39/06/17/1027390617.db2.gz ATOHQVKTYMGOSS-GJZGRUSLSA-N 2 0 323.550 3.884 20 0 DHADRP FC(F)(F)c1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423011743 1027391740 /nfs/dbraw/zinc/39/17/40/1027391740.db2.gz BMFXCTQCYAMHSW-HOTGVXAUSA-N 2 0 312.379 3.888 20 0 DHADRP CC(C)(C)c1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cs1 ZINC000423021134 1027393929 /nfs/dbraw/zinc/39/39/29/1027393929.db2.gz DMNWULJEJDHPBY-CVEARBPZSA-N 2 0 315.486 3.718 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1)C1C[NH2+]C1 ZINC000423019719 1027394113 /nfs/dbraw/zinc/39/41/13/1027394113.db2.gz WVWHJSVCSFZKCD-NSHDSACASA-N 2 0 313.272 3.613 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000574443237 1027394589 /nfs/dbraw/zinc/39/45/89/1027394589.db2.gz PKVJITRYYFAURH-LBPRGKRZSA-N 2 0 315.486 3.640 20 0 DHADRP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423033742 1027396909 /nfs/dbraw/zinc/39/69/09/1027396909.db2.gz ZVZHUANYAZULRC-ZTFGCOKTSA-N 2 0 318.892 3.882 20 0 DHADRP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423033206 1027397231 /nfs/dbraw/zinc/39/72/31/1027397231.db2.gz ZEGLZSHIXWESPT-CYDGBPFRSA-N 2 0 302.384 3.913 20 0 DHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423034450 1027397774 /nfs/dbraw/zinc/39/77/74/1027397774.db2.gz QCQJJJODQMVQAY-QAPCUYQASA-N 2 0 307.441 3.512 20 0 DHADRP Fc1ccccc1NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423039015 1027400922 /nfs/dbraw/zinc/40/09/22/1027400922.db2.gz ZSRJNPVILSPEIU-RYQLBKOJSA-N 2 0 319.468 3.528 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423063350 1027403706 /nfs/dbraw/zinc/40/37/06/1027403706.db2.gz WCODWIDORWUZNR-UHFFFAOYSA-N 2 0 300.368 3.621 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423057930 1027404601 /nfs/dbraw/zinc/40/46/01/1027404601.db2.gz INRLYRSEHLENLT-QWRGUYRKSA-N 2 0 318.358 3.592 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000423078672 1027410025 /nfs/dbraw/zinc/41/00/25/1027410025.db2.gz OXWZJZCRVZZNPW-CABCVRRESA-N 2 0 310.844 3.760 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c2ccccc21 ZINC000423088010 1027410679 /nfs/dbraw/zinc/41/06/79/1027410679.db2.gz QVENMKOBZVAJFE-DQLDELGASA-N 2 0 321.468 3.637 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001170686683 1027410814 /nfs/dbraw/zinc/41/08/14/1027410814.db2.gz YWXVTOKESODZAY-GUYCJALGSA-N 2 0 318.424 3.505 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000423053774 1027412116 /nfs/dbraw/zinc/41/21/16/1027412116.db2.gz SXEZRECQLMKAOZ-LSDHHAIUSA-N 2 0 316.420 3.620 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423098631 1027415613 /nfs/dbraw/zinc/41/56/13/1027415613.db2.gz CZLPPGYUVGWXJV-TZMCWYRMSA-N 2 0 300.899 3.831 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423095067 1027415644 /nfs/dbraw/zinc/41/56/44/1027415644.db2.gz LHFQPQAHLZLGNM-RRCSTGOVSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423100070 1027418321 /nfs/dbraw/zinc/41/83/21/1027418321.db2.gz GDZPKWKHFFTMBD-CGTJXYLNSA-N 2 0 322.880 3.525 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423075832 1027418901 /nfs/dbraw/zinc/41/89/01/1027418901.db2.gz PLSYPQRHCNTKNM-VIBAHUMZSA-N 2 0 322.880 3.618 20 0 DHADRP CC[C@H]([NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423118178 1027419123 /nfs/dbraw/zinc/41/91/23/1027419123.db2.gz ZDSBOSBINOIGPC-UOVPBQLFSA-N 2 0 320.452 3.591 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423100074 1027419160 /nfs/dbraw/zinc/41/91/60/1027419160.db2.gz GDZPKWKHFFTMBD-RYQLBKOJSA-N 2 0 322.880 3.525 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000423113367 1027427418 /nfs/dbraw/zinc/42/74/18/1027427418.db2.gz YPGLVSTVTGWNFT-KNXALSJPSA-N 2 0 312.379 3.539 20 0 DHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)C2)c1 ZINC000423153225 1027432476 /nfs/dbraw/zinc/43/24/76/1027432476.db2.gz GZJVRADNTWQWOM-HZVDNRATSA-N 2 0 308.425 3.676 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1(C2CCC2)CCC1 ZINC000423173111 1027439543 /nfs/dbraw/zinc/43/95/43/1027439543.db2.gz WYADDQRQGROUGU-IEBWSBKVSA-N 2 0 312.457 3.555 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CCCO2 ZINC000423208101 1027444170 /nfs/dbraw/zinc/44/41/70/1027444170.db2.gz CZAOIXGQRRFKDR-HTWSVDAQSA-N 2 0 302.462 3.883 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000423213341 1027448038 /nfs/dbraw/zinc/44/80/38/1027448038.db2.gz JULOQHKPECEDEE-XUJLQICISA-N 2 0 308.853 3.722 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423213076 1027449803 /nfs/dbraw/zinc/44/98/03/1027449803.db2.gz MVHDSAOLDIIJKI-CJNGLKHVSA-N 2 0 314.395 3.992 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423202546 1027453770 /nfs/dbraw/zinc/45/37/70/1027453770.db2.gz QYVGMIPXLYOPEV-CVEARBPZSA-N 2 0 304.478 3.829 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C(C)C)cc1 ZINC000575147303 1027459395 /nfs/dbraw/zinc/45/93/95/1027459395.db2.gz SFXQYEUXUYSXIN-JENIJYKNSA-N 2 0 304.478 3.855 20 0 DHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423240304 1027460260 /nfs/dbraw/zinc/46/02/60/1027460260.db2.gz CBVUGKHHXSNQPV-PABLAQFASA-N 2 0 316.489 3.552 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000423223501 1027465522 /nfs/dbraw/zinc/46/55/22/1027465522.db2.gz AGZQBBYNHUJCKA-AGERRDQYSA-N 2 0 306.881 3.911 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000423223503 1027466113 /nfs/dbraw/zinc/46/61/13/1027466113.db2.gz AGZQBBYNHUJCKA-KUQKPQIMSA-N 2 0 306.881 3.911 20 0 DHADRP [NH3+]C1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000423229506 1027466147 /nfs/dbraw/zinc/46/61/47/1027466147.db2.gz HHAVWVFYBOGBDB-ZEPSKSRBSA-N 2 0 323.278 3.686 20 0 DHADRP C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(SCC(F)(F)F)cc1 ZINC000423246621 1027471520 /nfs/dbraw/zinc/47/15/20/1027471520.db2.gz ZNLYNIYCONBNHT-YPMHNXCESA-N 2 0 318.408 3.744 20 0 DHADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423249306 1027474951 /nfs/dbraw/zinc/47/49/51/1027474951.db2.gz OPEUGPSWAMFZBY-XJKSGUPXSA-N 2 0 314.395 3.992 20 0 DHADRP CC(C)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423250472 1027475333 /nfs/dbraw/zinc/47/53/33/1027475333.db2.gz QHYLGGFKVYNXPS-CJNGLKHVSA-N 2 0 314.395 3.992 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423251216 1027476231 /nfs/dbraw/zinc/47/62/31/1027476231.db2.gz RPWACMNDLTUALQ-DZGCQCFKSA-N 2 0 314.395 3.616 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000562517776 1027479566 /nfs/dbraw/zinc/47/95/66/1027479566.db2.gz YZTVDWUVAAGOSC-UHFFFAOYSA-N 2 0 308.510 3.578 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423289172 1027485684 /nfs/dbraw/zinc/48/56/84/1027485684.db2.gz AMYVKRMWJPWIPE-VBKZILBWSA-N 2 0 310.441 3.882 20 0 DHADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423292056 1027486374 /nfs/dbraw/zinc/48/63/74/1027486374.db2.gz LBRBMTYLKGEGCW-NHYWBVRUSA-N 2 0 301.459 3.638 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423268975 1027490771 /nfs/dbraw/zinc/49/07/71/1027490771.db2.gz GRSVPOSHPBVMJD-MIGHCRNESA-N 2 0 304.478 3.536 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423273032 1027490849 /nfs/dbraw/zinc/49/08/49/1027490849.db2.gz KFBFNXQOZRWXIV-MISXGVKJSA-N 2 0 319.276 3.722 20 0 DHADRP [NH3+]CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423315879 1027498802 /nfs/dbraw/zinc/49/88/02/1027498802.db2.gz BEVBUNZPFAEFAF-KRWDZBQOSA-N 2 0 306.812 3.897 20 0 DHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423294594 1027500692 /nfs/dbraw/zinc/50/06/92/1027500692.db2.gz UXIYBTGSVGCAPK-YVEFUNNKSA-N 2 0 314.404 3.631 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000423318136 1027500726 /nfs/dbraw/zinc/50/07/26/1027500726.db2.gz CDLFVEUYEHLOCS-IUODEOHRSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000423294532 1027501294 /nfs/dbraw/zinc/50/12/94/1027501294.db2.gz UQXOVDLFKXLJEQ-CVEARBPZSA-N 2 0 320.440 3.743 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423300139 1027502254 /nfs/dbraw/zinc/50/22/54/1027502254.db2.gz QWPBUZWSWOVEPF-MNOVXSKESA-N 2 0 306.397 3.586 20 0 DHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(F)c1 ZINC000423294147 1027502834 /nfs/dbraw/zinc/50/28/34/1027502834.db2.gz TUZGJWIWZFHLNT-STQMWFEESA-N 2 0 302.393 3.705 20 0 DHADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423298234 1027504989 /nfs/dbraw/zinc/50/49/89/1027504989.db2.gz NSJSTJPQINPIOO-VXGBXAGGSA-N 2 0 308.372 3.687 20 0 DHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423343831 1027508606 /nfs/dbraw/zinc/50/86/06/1027508606.db2.gz XGSGLGGJVVDFAS-ZDUSSCGKSA-N 2 0 314.395 3.616 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423334475 1027514742 /nfs/dbraw/zinc/51/47/42/1027514742.db2.gz WLTQPJMZDWMKLH-IRXDYDNUSA-N 2 0 300.471 3.667 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC[NH2+]1 ZINC000423373584 1027516656 /nfs/dbraw/zinc/51/66/56/1027516656.db2.gz HKMWAXZVNOAXMU-XFQXTVEOSA-N 2 0 312.432 3.840 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000423343685 1027516983 /nfs/dbraw/zinc/51/69/83/1027516983.db2.gz XBFIXJKNEQHLBR-YWZLYKJASA-N 2 0 312.457 3.889 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000423343684 1027517690 /nfs/dbraw/zinc/51/76/90/1027517690.db2.gz XBFIXJKNEQHLBR-QRWLVFNGSA-N 2 0 312.457 3.889 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c(C)c2c1 ZINC000423363705 1027520377 /nfs/dbraw/zinc/52/03/77/1027520377.db2.gz AFCPFKAUKBEUAO-MJBXVCDLSA-N 2 0 302.418 3.670 20 0 DHADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000296038042 1027523438 /nfs/dbraw/zinc/52/34/38/1027523438.db2.gz NUBCSJQYIJLTPH-PMUMKWKESA-N 2 0 306.400 3.559 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423401487 1027527218 /nfs/dbraw/zinc/52/72/18/1027527218.db2.gz QXJQZXGSMZYPSA-WCZJQEMASA-N 2 0 306.881 3.954 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2cc(OC)ccc2c1 ZINC000423391342 1027529964 /nfs/dbraw/zinc/52/99/64/1027529964.db2.gz KWUILEVVYZOHNS-PNHOKKKMSA-N 2 0 312.457 3.887 20 0 DHADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423384955 1027530667 /nfs/dbraw/zinc/53/06/67/1027530667.db2.gz LEFGZQLLQWPMHX-WIYYLYMNSA-N 2 0 306.453 3.791 20 0 DHADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423375234 1027534057 /nfs/dbraw/zinc/53/40/57/1027534057.db2.gz DAGVGYOPQOXKNC-XPKDYRNWSA-N 2 0 314.395 3.929 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000423403110 1027538787 /nfs/dbraw/zinc/53/87/87/1027538787.db2.gz YEMHKBMVXJAZKD-FUHIMQAGSA-N 2 0 308.469 3.937 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000423428031 1027547541 /nfs/dbraw/zinc/54/75/41/1027547541.db2.gz IWNZTWDODIVBOC-QWRGUYRKSA-N 2 0 317.246 3.756 20 0 DHADRP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423434022 1027549737 /nfs/dbraw/zinc/54/97/37/1027549737.db2.gz CWBMCAUNTJCXFZ-ULQDDVLXSA-N 2 0 304.478 3.678 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423433539 1027549857 /nfs/dbraw/zinc/54/98/57/1027549857.db2.gz NDJLOVXAJOKGEL-CHWSQXEVSA-N 2 0 318.490 3.682 20 0 DHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423433123 1027550985 /nfs/dbraw/zinc/55/09/85/1027550985.db2.gz WQEPUTRSKMBJLZ-QAETUUGQSA-N 2 0 304.478 3.542 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000423459301 1027552325 /nfs/dbraw/zinc/55/23/25/1027552325.db2.gz LJFZZGLTBABIAA-AVGNSLFASA-N 2 0 300.368 3.874 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423453888 1027553588 /nfs/dbraw/zinc/55/35/88/1027553588.db2.gz BHMAMNKJPJPLSM-XTXFNFMZSA-N 2 0 322.905 3.982 20 0 DHADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(OCC=C(C)C)cc1 ZINC000423465108 1027556168 /nfs/dbraw/zinc/55/61/68/1027556168.db2.gz MMNUXZKWWCZBBY-SJLPKXTDSA-N 2 0 304.478 3.680 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423469752 1027557753 /nfs/dbraw/zinc/55/77/53/1027557753.db2.gz VUIRWUDSGXXOPY-FPMFFAJLSA-N 2 0 309.523 3.917 20 0 DHADRP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423469258 1027558264 /nfs/dbraw/zinc/55/82/64/1027558264.db2.gz OSQRTNSNYGKPRJ-SNPRPXQTSA-N 2 0 300.368 3.668 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423469785 1027559404 /nfs/dbraw/zinc/55/94/04/1027559404.db2.gz VUYDFRVTQVANJB-VHENEKKESA-N 2 0 320.864 3.659 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)ccc1OC ZINC000423476209 1027561992 /nfs/dbraw/zinc/56/19/92/1027561992.db2.gz QVMWNOYPTYOLLM-NOLJZWGESA-N 2 0 310.869 3.907 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000423504260 1027567233 /nfs/dbraw/zinc/56/72/33/1027567233.db2.gz KUXKBELYJOHOPS-UGSOOPFHSA-N 2 0 316.395 3.771 20 0 DHADRP CC[C@@H]([NH3+])CN[C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423482067 1027567531 /nfs/dbraw/zinc/56/75/31/1027567531.db2.gz XDIFGJWDSCDVFC-DGCLKSJQSA-N 2 0 308.372 3.829 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000423502131 1027567668 /nfs/dbraw/zinc/56/76/68/1027567668.db2.gz JOEHVSRESOJQAT-MXSMSXNCSA-N 2 0 306.881 3.768 20 0 DHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423508060 1027568341 /nfs/dbraw/zinc/56/83/41/1027568341.db2.gz NIZZVALLZURFOK-INWMFGNUSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423484959 1027569741 /nfs/dbraw/zinc/56/97/41/1027569741.db2.gz RKTMOIAQTKLDEN-WDEREUQCSA-N 2 0 317.296 3.693 20 0 DHADRP COc1cc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1SC ZINC000423487579 1027570124 /nfs/dbraw/zinc/57/01/24/1027570124.db2.gz UJUVKULHGUEBSY-HIFRSBDPSA-N 2 0 308.491 3.600 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OCC ZINC000423487886 1027570680 /nfs/dbraw/zinc/57/06/80/1027570680.db2.gz URKCWMRFYJDJIE-WBVHZDCISA-N 2 0 320.477 3.667 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000423494988 1027574210 /nfs/dbraw/zinc/57/42/10/1027574210.db2.gz TUPAYDQKRYXATC-LPEHRKFASA-N 2 0 305.224 3.911 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423495491 1027575500 /nfs/dbraw/zinc/57/55/00/1027575500.db2.gz FPMSQVUZFHWOAY-CUWPLCDZSA-N 2 0 324.468 3.696 20 0 DHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000423512867 1027577374 /nfs/dbraw/zinc/57/73/74/1027577374.db2.gz RCBMGZKCLNFKEK-KCQAQPDRSA-N 2 0 310.869 3.905 20 0 DHADRP Cc1cccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)c2cccc(F)c2)c1 ZINC000423509263 1027577772 /nfs/dbraw/zinc/57/77/72/1027577772.db2.gz ONLYJGMTPNWWGE-YSSFQJQWSA-N 2 0 312.432 3.941 20 0 DHADRP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539195 1027583757 /nfs/dbraw/zinc/58/37/57/1027583757.db2.gz HVWLBDINHIRPIR-CAOSSQGBSA-N 2 0 304.503 3.837 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423543072 1027584574 /nfs/dbraw/zinc/58/45/74/1027584574.db2.gz MTWBRQWBGWRMGZ-LBEHMCEESA-N 2 0 320.864 3.531 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000423554905 1027586451 /nfs/dbraw/zinc/58/64/51/1027586451.db2.gz XIHSJLYIJGTDPQ-SPWCGHHHSA-N 2 0 308.466 3.586 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCS2 ZINC000423547774 1027586609 /nfs/dbraw/zinc/58/66/09/1027586609.db2.gz QFDLFKOOPDRBCL-KYHPRHEASA-N 2 0 316.514 3.818 20 0 DHADRP C[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000798957191 1027607988 /nfs/dbraw/zinc/60/79/88/1027607988.db2.gz YOEYKTKJNZZJAM-MRXNPFEDSA-N 2 0 304.453 3.737 20 0 DHADRP Cc1cnccc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000576462624 1027617559 /nfs/dbraw/zinc/61/75/59/1027617559.db2.gz LRHFFSHUEOGJLF-UYAOXDASSA-N 2 0 323.484 3.780 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000576789087 1027660067 /nfs/dbraw/zinc/66/00/67/1027660067.db2.gz AXABWXVFMQJIPX-SFHVURJKSA-N 2 0 309.457 3.569 20 0 DHADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363546417 1027669714 /nfs/dbraw/zinc/66/97/14/1027669714.db2.gz RLXJBXROJIXVMS-UFYCRDLUSA-N 2 0 300.490 3.860 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C[C@@H]21 ZINC001170716451 1027784920 /nfs/dbraw/zinc/78/49/20/1027784920.db2.gz UEDIMXVRPIRGJB-OXZADQLBSA-N 2 0 324.512 3.921 20 0 DHADRP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000364323140 1027808676 /nfs/dbraw/zinc/80/86/76/1027808676.db2.gz IHZJSECXVQAGLD-ZFWWWQNUSA-N 2 0 307.507 3.530 20 0 DHADRP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000364442915 1027822391 /nfs/dbraw/zinc/82/23/91/1027822391.db2.gz SBLBJGDKZMDFJC-UHFFFAOYSA-N 2 0 309.457 3.503 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527692055 1027831169 /nfs/dbraw/zinc/83/11/69/1027831169.db2.gz PJEYNIDQHOHNNJ-CRAIPNDOSA-N 2 0 311.473 3.911 20 0 DHADRP F[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000577729292 1027911052 /nfs/dbraw/zinc/91/10/52/1027911052.db2.gz JTQMRVZHWVZVAY-SQNIBIBYSA-N 2 0 302.437 3.664 20 0 DHADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC12CC2 ZINC000527862264 1027925593 /nfs/dbraw/zinc/92/55/93/1027925593.db2.gz ABZNDOBGCGIWMD-YSDSKTICSA-N 2 0 312.501 3.921 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000563217374 1027937881 /nfs/dbraw/zinc/93/78/81/1027937881.db2.gz PXZWJQLXBDCKIL-RLLQIKCJSA-N 2 0 322.537 3.514 20 0 DHADRP CC(C)(C)OC1CC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000779038707 1027990082 /nfs/dbraw/zinc/99/00/82/1027990082.db2.gz ZAPUNPYYTLXXIA-UHFFFAOYSA-N 2 0 322.537 3.967 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1sccc1Br ZINC000578126447 1028061252 /nfs/dbraw/zinc/06/12/52/1028061252.db2.gz DHGDSGAAZPYSKC-GHMZBOCLSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000366440610 1028082511 /nfs/dbraw/zinc/08/25/11/1028082511.db2.gz CEARSVJZHUDGSS-VVMVDLBUSA-N 2 0 306.881 3.904 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000366955111 1028114378 /nfs/dbraw/zinc/11/43/78/1028114378.db2.gz QFAMWOMSNONCDI-RXVVDRJESA-N 2 0 323.484 3.953 20 0 DHADRP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000367057502 1028129528 /nfs/dbraw/zinc/12/95/28/1028129528.db2.gz KEQXIIACKPPFJS-FUHWJXTLSA-N 2 0 316.489 3.665 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn3ccccc3n2)c1 ZINC000563670502 1028160290 /nfs/dbraw/zinc/16/02/90/1028160290.db2.gz RYPJPIMIVGBHMF-INIZCTEOSA-N 2 0 322.456 3.637 20 0 DHADRP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)C[C@@H]21 ZINC001170765884 1028217284 /nfs/dbraw/zinc/21/72/84/1028217284.db2.gz YDSAIVNSKXQHGU-ONUIULTDSA-N 2 0 324.512 3.875 20 0 DHADRP COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc2ccccc21 ZINC000449030904 1028269477 /nfs/dbraw/zinc/26/94/77/1028269477.db2.gz SUWQVBCGJYRQAH-MAUKXSAKSA-N 2 0 312.457 3.763 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000578939765 1028278567 /nfs/dbraw/zinc/27/85/67/1028278567.db2.gz NYOAIUHJVPYTJE-AWEZNQCLSA-N 2 0 317.864 3.708 20 0 DHADRP COc1cccc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cccc12 ZINC000449044365 1028308562 /nfs/dbraw/zinc/30/85/62/1028308562.db2.gz DIZQBJPHACDUNV-XLIONFOSSA-N 2 0 324.468 3.765 20 0 DHADRP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000368229399 1028322709 /nfs/dbraw/zinc/32/27/09/1028322709.db2.gz UYWOTGWFMTYLCN-DLBZAZTESA-N 2 0 304.503 3.555 20 0 DHADRP C[C@@H]1CCCCN1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449076758 1028341529 /nfs/dbraw/zinc/34/15/29/1028341529.db2.gz HYHRLAKQHBMIGY-LRYGQEGESA-N 2 0 308.510 3.721 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449082401 1028348357 /nfs/dbraw/zinc/34/83/57/1028348357.db2.gz NBFSCQLTLHLORO-QGZVFWFLSA-N 2 0 318.509 3.600 20 0 DHADRP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449092414 1028365000 /nfs/dbraw/zinc/36/50/00/1028365000.db2.gz LZPGUOMJKGGPEA-QGZVFWFLSA-N 2 0 312.542 3.662 20 0 DHADRP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000449120510 1028372509 /nfs/dbraw/zinc/37/25/09/1028372509.db2.gz DEPOJFUHVWTCPT-MOPGFXCFSA-N 2 0 320.521 3.722 20 0 DHADRP Oc1cccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1Cl ZINC000815129236 1028372897 /nfs/dbraw/zinc/37/28/97/1028372897.db2.gz VXUZNGRISDIEQN-UHFFFAOYSA-N 2 0 322.880 3.932 20 0 DHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000368612874 1028385141 /nfs/dbraw/zinc/38/51/41/1028385141.db2.gz ICSVSUHULFAIKF-YHUYYLMFSA-N 2 0 322.855 3.942 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000449133346 1028388104 /nfs/dbraw/zinc/38/81/04/1028388104.db2.gz DHPRVUNHALZSRE-UWVAXJGDSA-N 2 0 300.490 3.860 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000449113863 1028392717 /nfs/dbraw/zinc/39/27/17/1028392717.db2.gz XTPQYJZLVPHANM-MJGOQNOKSA-N 2 0 310.526 3.682 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@]2(C)CO)CC1 ZINC000449172531 1028414224 /nfs/dbraw/zinc/41/42/24/1028414224.db2.gz JRYYDYVBGAFJOK-PXNSSMCTSA-N 2 0 324.553 3.806 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC3(CCCC3)CC2)C[C@@H](C)O1 ZINC000564410550 1028434712 /nfs/dbraw/zinc/43/47/12/1028434712.db2.gz RSTUDUWNTUVMBB-QZTJIDSGSA-N 2 0 322.537 3.968 20 0 DHADRP COCC1CCC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000449210030 1028445053 /nfs/dbraw/zinc/44/50/53/1028445053.db2.gz TUDGEICLSPQDSV-UHFFFAOYSA-N 2 0 322.537 3.824 20 0 DHADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000369202827 1028458972 /nfs/dbraw/zinc/45/89/72/1028458972.db2.gz JKVAHJKERIDODO-UHFFFAOYSA-N 2 0 321.534 3.748 20 0 DHADRP CCC[NH+]1CCC([NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449220684 1028463776 /nfs/dbraw/zinc/46/37/76/1028463776.db2.gz QSKCALQWGLHRTM-UHFFFAOYSA-N 2 0 312.457 3.812 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449252359 1028474457 /nfs/dbraw/zinc/47/44/57/1028474457.db2.gz QLTICLVXKRAIFR-HKUYNNGSSA-N 2 0 318.892 3.903 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000564791775 1028502266 /nfs/dbraw/zinc/50/22/66/1028502266.db2.gz DGZXEZWKZUZTHC-SJLPKXTDSA-N 2 0 306.881 3.955 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000449262052 1028514886 /nfs/dbraw/zinc/51/48/86/1028514886.db2.gz BBONKCXCRZKUSO-MBOZVWFJSA-N 2 0 300.490 3.860 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000369707992 1028520604 /nfs/dbraw/zinc/52/06/04/1028520604.db2.gz YJRBKEAVPZFXCI-VVMVDLBUSA-N 2 0 306.881 3.904 20 0 DHADRP COc1cc2ccccc2cc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000449327815 1028537514 /nfs/dbraw/zinc/53/75/14/1028537514.db2.gz CTDSOGIGERNIKX-UYAOXDASSA-N 2 0 324.468 3.765 20 0 DHADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000815647953 1028591728 /nfs/dbraw/zinc/59/17/28/1028591728.db2.gz ZOGSTEAQDSJGPA-IBGZPJMESA-N 2 0 316.489 3.928 20 0 DHADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000449403727 1028621751 /nfs/dbraw/zinc/62/17/51/1028621751.db2.gz RHAMRNVNCODYEB-HNJRGHQBSA-N 2 0 318.505 3.548 20 0 DHADRP Fc1ccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000566351213 1028707116 /nfs/dbraw/zinc/70/71/16/1028707116.db2.gz RUELCTSCCXIGQA-UHFFFAOYSA-N 2 0 310.416 3.636 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000449529151 1028739654 /nfs/dbraw/zinc/73/96/54/1028739654.db2.gz VHOJBINJQGWMAO-UHFFFAOYSA-N 2 0 308.413 3.977 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000372971802 1028928096 /nfs/dbraw/zinc/92/80/96/1028928096.db2.gz ARHHADCHANIKTG-ZOBORPQBSA-N 2 0 312.910 3.825 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000628228203 1028948183 /nfs/dbraw/zinc/94/81/83/1028948183.db2.gz HQCWCYDEADZAFK-IZBJGVDFSA-N 2 0 322.537 3.560 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000568008317 1028993887 /nfs/dbraw/zinc/99/38/87/1028993887.db2.gz VALQUYPZOHNXEE-DWDRNJEXSA-N 2 0 301.478 3.714 20 0 DHADRP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCCOC1 ZINC000411285260 1029090067 /nfs/dbraw/zinc/09/00/67/1029090067.db2.gz ZQQILAHALTZNGH-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000411288848 1029093220 /nfs/dbraw/zinc/09/32/20/1029093220.db2.gz FQRQXCCTRANCKN-WBAXXEDZSA-N 2 0 311.404 3.511 20 0 DHADRP CSC1(C[NH2+]CC2CCC(C(C)C)CC2)CC[NH+](C)CC1 ZINC000568804029 1029129344 /nfs/dbraw/zinc/12/93/44/1029129344.db2.gz AVGXDKPMFMJZHD-UHFFFAOYSA-N 2 0 312.567 3.866 20 0 DHADRP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)C1 ZINC000373911818 1029168156 /nfs/dbraw/zinc/16/81/56/1029168156.db2.gz LNUSTSFMZFLUOK-ZRNYENFQSA-N 2 0 322.537 3.514 20 0 DHADRP CC(C)[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCOC1 ZINC000411740545 1029196227 /nfs/dbraw/zinc/19/62/27/1029196227.db2.gz CFQQTZVGEWAPNR-FQEVSTJZSA-N 2 0 316.489 3.672 20 0 DHADRP CO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000411800843 1029214572 /nfs/dbraw/zinc/21/45/72/1029214572.db2.gz NAKTWZUXGVYYSM-XLIONFOSSA-N 2 0 316.489 3.529 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411809988 1029215202 /nfs/dbraw/zinc/21/52/02/1029215202.db2.gz PCAATKGWVGRIKL-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817902012 1029273977 /nfs/dbraw/zinc/27/39/77/1029273977.db2.gz GPZUECHSSZZUJL-GBESFXJTSA-N 2 0 315.505 3.543 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926412 1029277848 /nfs/dbraw/zinc/27/78/48/1029277848.db2.gz IDJZEBPQYHGIQN-MFKMUULPSA-N 2 0 317.260 3.924 20 0 DHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947683 1029288291 /nfs/dbraw/zinc/28/82/91/1029288291.db2.gz FOWKLQQFXPPOQY-ZDUSSCGKSA-N 2 0 318.848 3.701 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000817943755 1029289260 /nfs/dbraw/zinc/28/92/60/1029289260.db2.gz RWLDIPJSMORFBN-LLVKDONJSA-N 2 0 318.433 3.660 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817948150 1029289888 /nfs/dbraw/zinc/28/98/88/1029289888.db2.gz FNIXOPZXCIWYOE-PMACEKPBSA-N 2 0 323.484 3.707 20 0 DHADRP CCC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(OC)cc1 ZINC000817949280 1029291964 /nfs/dbraw/zinc/29/19/64/1029291964.db2.gz PPCDUJDMTKIYMC-FQEVSTJZSA-N 2 0 312.457 3.827 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)CCCC2 ZINC000817948877 1029292008 /nfs/dbraw/zinc/29/20/08/1029292008.db2.gz LYYWCIXTZBFVOA-MRXNPFEDSA-N 2 0 308.469 3.917 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950577 1029294751 /nfs/dbraw/zinc/29/47/51/1029294751.db2.gz XURDPDKQRUVGQF-HXUWFJFHSA-N 2 0 324.468 3.709 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)cc1 ZINC000817962310 1029300364 /nfs/dbraw/zinc/30/03/64/1029300364.db2.gz HNHSSTZZBHHLRY-HOTGVXAUSA-N 2 0 320.440 3.743 20 0 DHADRP FC1(F)CCCC[C@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000450272455 1029303887 /nfs/dbraw/zinc/30/38/87/1029303887.db2.gz XIDBKIYHIDCBBJ-HNNXBMFYSA-N 2 0 300.437 3.762 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817966767 1029304900 /nfs/dbraw/zinc/30/49/00/1029304900.db2.gz VFXOMFOMASFIMP-MEBBXXQBSA-N 2 0 316.276 3.616 20 0 DHADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(SC(F)F)cc1 ZINC000817967764 1029307656 /nfs/dbraw/zinc/30/76/56/1029307656.db2.gz BNRRZQPHOFGDJF-YPMHNXCESA-N 2 0 300.418 3.794 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1C ZINC000817975928 1029314654 /nfs/dbraw/zinc/31/46/54/1029314654.db2.gz QUBDFEDCFXKBDS-ULQDDVLXSA-N 2 0 304.478 3.728 20 0 DHADRP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000817985109 1029322271 /nfs/dbraw/zinc/32/22/71/1029322271.db2.gz AHYNAGCZLKVDCE-WMHQRMGPSA-N 2 0 322.880 3.696 20 0 DHADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCCO2 ZINC000817985528 1029324176 /nfs/dbraw/zinc/32/41/76/1029324176.db2.gz LLHIAPDKSREARC-ZWKOTPCHSA-N 2 0 314.473 3.727 20 0 DHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(OC)c2)CC1 ZINC000623402801 1029361812 /nfs/dbraw/zinc/36/18/12/1029361812.db2.gz AEALFFYALHGEHL-UHFFFAOYSA-N 2 0 310.869 3.560 20 0 DHADRP CC(C)([NH2+]CCCC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000629545406 1029364024 /nfs/dbraw/zinc/36/40/24/1029364024.db2.gz KJZOZLVKGNAJLO-UHFFFAOYSA-N 2 0 317.502 3.901 20 0 DHADRP c1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000629547776 1029364924 /nfs/dbraw/zinc/36/49/24/1029364924.db2.gz CVQKLTAZSCUASE-HSALFYBXSA-N 2 0 321.468 3.759 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000629556576 1029369033 /nfs/dbraw/zinc/36/90/33/1029369033.db2.gz SZPBABBDFDSWIF-CXHZTBPHSA-N 2 0 304.865 3.695 20 0 DHADRP Clc1cccc2c1C[C@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC001170903176 1029380319 /nfs/dbraw/zinc/38/03/19/1029380319.db2.gz TZEJMLXJDMRPHQ-MRXNPFEDSA-N 2 0 306.881 3.663 20 0 DHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CC23CC3)ccc1OC ZINC000818356278 1029383976 /nfs/dbraw/zinc/38/39/76/1029383976.db2.gz MXOROIFPEHIRPE-KSSFIOAISA-N 2 0 302.462 3.740 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)[C@@H](C)C1 ZINC000120875669 1029414832 /nfs/dbraw/zinc/41/48/32/1029414832.db2.gz QRMZWDZZGZSYIR-IHPCNDPISA-N 2 0 318.505 3.864 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000570826328 1029425600 /nfs/dbraw/zinc/42/56/00/1029425600.db2.gz AGPUYLQTRHUVKS-WWGRRREGSA-N 2 0 310.388 3.525 20 0 DHADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000629701288 1029429638 /nfs/dbraw/zinc/42/96/38/1029429638.db2.gz ALAUMZBZUMLJGY-MRXNPFEDSA-N 2 0 318.424 3.919 20 0 DHADRP FC1(F)CCCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000450605035 1029564338 /nfs/dbraw/zinc/56/43/38/1029564338.db2.gz YDSKZHSWDLPDPZ-UXLLHSPISA-N 2 0 312.448 3.761 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2CCC(=O)CC2)CC1)CC(C)C ZINC000450655796 1029598484 /nfs/dbraw/zinc/59/84/84/1029598484.db2.gz XPIXFRWJABFXKC-UHFFFAOYSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820806396 1029767818 /nfs/dbraw/zinc/76/78/18/1029767818.db2.gz HHRBBNPYQQHMPF-QGZVFWFLSA-N 2 0 311.473 3.535 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811365 1029769006 /nfs/dbraw/zinc/76/90/06/1029769006.db2.gz PJGGRQYFGXBUFB-APWZRJJASA-N 2 0 306.494 3.586 20 0 DHADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820830216 1029777319 /nfs/dbraw/zinc/77/73/19/1029777319.db2.gz PUVOGFGLWNYOLL-ZIAGYGMSSA-N 2 0 315.461 3.807 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000530207168 1029779790 /nfs/dbraw/zinc/77/97/90/1029779790.db2.gz CCDLQTSJGQAMTI-VBPKBEQMSA-N 2 0 323.278 3.569 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCc3cccc(F)c3C2)cc1 ZINC001170956820 1029795089 /nfs/dbraw/zinc/79/50/89/1029795089.db2.gz HXCUYKCYIDCFGM-SFHVURJKSA-N 2 0 312.432 3.534 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000121684916 1029814057 /nfs/dbraw/zinc/81/40/57/1029814057.db2.gz HVXDHZPYSNSCEL-QGZVFWFLSA-N 2 0 304.503 3.935 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170978392 1029946898 /nfs/dbraw/zinc/94/68/98/1029946898.db2.gz VKOCLUIFLQKNIB-OKZBNKHCSA-N 2 0 318.480 3.926 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170978391 1029947505 /nfs/dbraw/zinc/94/75/05/1029947505.db2.gz VKOCLUIFLQKNIB-KZNAEPCWSA-N 2 0 318.480 3.926 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000865717212 1029986126 /nfs/dbraw/zinc/98/61/26/1029986126.db2.gz SFWSZRYUPUFCDK-UHFFFAOYSA-N 2 0 311.473 3.835 20 0 DHADRP CCOc1cc(F)cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000865764728 1030014651 /nfs/dbraw/zinc/01/46/51/1030014651.db2.gz NJDYWSCEYRWCOQ-UHFFFAOYSA-N 2 0 308.441 3.577 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1(C)C ZINC000865833587 1030050291 /nfs/dbraw/zinc/05/02/91/1030050291.db2.gz JZHWGQFJUBQPNK-MOPGFXCFSA-N 2 0 315.505 3.645 20 0 DHADRP c1cn(-c2csc(C[NH2+]C3([C@H]4CCCCO4)CCC3)c2)cn1 ZINC000865857716 1030064171 /nfs/dbraw/zinc/06/41/71/1030064171.db2.gz WUMKGCFGSIBQEP-MRXNPFEDSA-N 2 0 317.458 3.515 20 0 DHADRP Cc1ccncc1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000290480592 1030068799 /nfs/dbraw/zinc/06/87/99/1030068799.db2.gz VIZLDIIVQGWMPZ-UHFFFAOYSA-N 2 0 315.505 3.709 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCCCC2)[C@H](C)C1 ZINC000557274417 1030078042 /nfs/dbraw/zinc/07/80/42/1030078042.db2.gz VFFMOSAUQLIAHR-QZTJIDSGSA-N 2 0 310.526 3.683 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924529262 1030117404 /nfs/dbraw/zinc/11/74/04/1030117404.db2.gz UJOSKAHBOJFCKI-HZPDHXFCSA-N 2 0 306.498 3.769 20 0 DHADRP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000120908579 1030129520 /nfs/dbraw/zinc/12/95/20/1030129520.db2.gz KDVMZNMSEFQRSQ-CYBMUJFWSA-N 2 0 312.498 3.897 20 0 DHADRP CCc1ccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000533104636 1030141929 /nfs/dbraw/zinc/14/19/29/1030141929.db2.gz ITSUCQKCOXGUJN-UHFFFAOYSA-N 2 0 304.478 3.975 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccnc(Cl)c1 ZINC000120933075 1030149566 /nfs/dbraw/zinc/14/95/66/1030149566.db2.gz WYQOLXHWRRDUKM-GFCCVEGCSA-N 2 0 321.827 3.787 20 0 DHADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)Cc1ccccn1 ZINC000924660524 1030153746 /nfs/dbraw/zinc/15/37/46/1030153746.db2.gz ZJJHRWWOJYXKOT-QGZVFWFLSA-N 2 0 311.473 3.643 20 0 DHADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687961 1030159578 /nfs/dbraw/zinc/15/95/78/1030159578.db2.gz YBAYZWLQVIXYSO-HLLBOEOZSA-N 2 0 319.493 3.708 20 0 DHADRP c1ccc(SC2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000924700379 1030163785 /nfs/dbraw/zinc/16/37/85/1030163785.db2.gz WKZBYTLQJZFGSV-UERKLNTKSA-N 2 0 302.487 3.526 20 0 DHADRP C[C@@H](CCc1cccnc1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000866232159 1030168757 /nfs/dbraw/zinc/16/87/57/1030168757.db2.gz BNEQCQSEJVPNSP-ROUUACIJSA-N 2 0 303.494 3.504 20 0 DHADRP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000866239467 1030174185 /nfs/dbraw/zinc/17/41/85/1030174185.db2.gz XIPHHDSWEJVYNH-JYYRGQEPSA-N 2 0 302.437 3.666 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCc2cccnc2)c1 ZINC000866259221 1030184607 /nfs/dbraw/zinc/18/46/07/1030184607.db2.gz JYBIETBAYMHEHG-KRWDZBQOSA-N 2 0 311.473 3.644 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000866278065 1030201345 /nfs/dbraw/zinc/20/13/45/1030201345.db2.gz LTKPGIGSCKTUMO-QGZVFWFLSA-N 2 0 315.505 3.789 20 0 DHADRP CC[NH+](CC)CCCC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171013117 1030251175 /nfs/dbraw/zinc/25/11/75/1030251175.db2.gz LEEUDSRXBLYHJH-MRXNPFEDSA-N 2 0 308.897 3.909 20 0 DHADRP Clc1ccnc2c1CC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925050684 1030257294 /nfs/dbraw/zinc/25/72/94/1030257294.db2.gz UGFHLGKOLFFSME-QGZVFWFLSA-N 2 0 321.896 3.968 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cn2c(n1)CCCC2 ZINC000925048358 1030257910 /nfs/dbraw/zinc/25/79/10/1030257910.db2.gz HQABYSIINHOABY-QGZVFWFLSA-N 2 0 318.509 3.526 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866372399 1030262233 /nfs/dbraw/zinc/26/22/33/1030262233.db2.gz FVDLYFZXLKXXDV-OLZOCXBDSA-N 2 0 321.852 3.864 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H]3CCSC3)CC2)C1 ZINC000866404250 1030283339 /nfs/dbraw/zinc/28/33/39/1030283339.db2.gz ZDQIDYZNCWRFDF-NUJGCVRESA-N 2 0 310.551 3.762 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1(C)CC1 ZINC000358024562 1030285788 /nfs/dbraw/zinc/28/57/88/1030285788.db2.gz RBVVXFGNGRTAKB-IXDOHACOSA-N 2 0 316.489 3.574 20 0 DHADRP CC(C)(C)OC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000866451663 1030301529 /nfs/dbraw/zinc/30/15/29/1030301529.db2.gz OEECXHCSEVQVJB-UHFFFAOYSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000866470322 1030309019 /nfs/dbraw/zinc/30/90/19/1030309019.db2.gz VLAOLEWUNFAVSG-HNNXBMFYSA-N 2 0 315.461 3.989 20 0 DHADRP [NH3+]CCC1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171021393 1030336918 /nfs/dbraw/zinc/33/69/18/1030336918.db2.gz CGMXOHIZKZFURD-BCLQGDPASA-N 2 0 306.881 3.695 20 0 DHADRP CC(C)[NH+]1CCC(N[C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925304636 1030339453 /nfs/dbraw/zinc/33/94/53/1030339453.db2.gz XEUSUTBIPLZJDQ-INIZCTEOSA-N 2 0 307.869 3.575 20 0 DHADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518171 1030341480 /nfs/dbraw/zinc/34/14/80/1030341480.db2.gz TZXHJAYMZRYSEF-OBONGRFPSA-N 2 0 302.462 3.535 20 0 DHADRP CC(C)[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000866516370 1030341713 /nfs/dbraw/zinc/34/17/13/1030341713.db2.gz QCDKUSZOZGDFSU-NXYGQSRBSA-N 2 0 307.457 3.770 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1N(C)C ZINC000866517404 1030342567 /nfs/dbraw/zinc/34/25/67/1030342567.db2.gz XSDDKPOWRPLPBV-MDCZIUGASA-N 2 0 303.494 3.666 20 0 DHADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516748 1030342688 /nfs/dbraw/zinc/34/26/88/1030342688.db2.gz UCTHECMMCRLXRU-MDCZIUGASA-N 2 0 304.478 3.917 20 0 DHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171024917 1030368081 /nfs/dbraw/zinc/36/80/81/1030368081.db2.gz LIIWPJLCICOSJS-PCKAHOCUSA-N 2 0 306.881 3.660 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000925492430 1030374411 /nfs/dbraw/zinc/37/44/11/1030374411.db2.gz IPAAGLKWDFBYBS-MJGOQNOKSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nc2ccccc2s1 ZINC000925499960 1030379123 /nfs/dbraw/zinc/37/91/23/1030379123.db2.gz VHPXZNPOQJXZFG-YNEHKIRRSA-N 2 0 303.475 3.853 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCCOC1CCCCC1)c1ccccc1 ZINC000925516736 1030384592 /nfs/dbraw/zinc/38/45/92/1030384592.db2.gz FFMHLSZMDIAGFN-LJQANCHMSA-N 2 0 304.478 3.796 20 0 DHADRP C/C=C(\NC=[NH2+])N[C@@H]1CC[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H]1C ZINC001171029254 1030388621 /nfs/dbraw/zinc/38/86/21/1030388621.db2.gz WEVGIEKRDFEMOE-LSNVYBTPSA-N 2 0 320.525 3.592 20 0 DHADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3c[nH+]cn3C)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001171032787 1030397082 /nfs/dbraw/zinc/39/70/82/1030397082.db2.gz WSEQPDICQDXKCW-WJQMWINMSA-N 2 0 318.509 3.790 20 0 DHADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925571999 1030409195 /nfs/dbraw/zinc/40/91/95/1030409195.db2.gz HRINBVKHNXPCAY-NSISKUIASA-N 2 0 312.457 3.568 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C12CCC2 ZINC000925584787 1030411102 /nfs/dbraw/zinc/41/11/02/1030411102.db2.gz MNQCPOWMYRMTRN-WOJBJXKFSA-N 2 0 322.452 3.592 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1 ZINC000925593847 1030414948 /nfs/dbraw/zinc/41/49/48/1030414948.db2.gz AICMXYLMXALCJJ-QGZVFWFLSA-N 2 0 304.384 3.577 20 0 DHADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925607801 1030419633 /nfs/dbraw/zinc/41/96/33/1030419633.db2.gz DANHURHMAVZVMM-NTFDOXNWSA-N 2 0 322.537 3.680 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925626082 1030424260 /nfs/dbraw/zinc/42/42/60/1030424260.db2.gz NPJOENGPJPHANW-YSHGAJCASA-N 2 0 316.489 3.650 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000866705748 1030428794 /nfs/dbraw/zinc/42/87/94/1030428794.db2.gz IIFIHJQGONSCTP-IBGZPJMESA-N 2 0 315.436 3.571 20 0 DHADRP CC1(C)[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925639330 1030430097 /nfs/dbraw/zinc/43/00/97/1030430097.db2.gz KTHHSRFBXRHDKH-AABGKKOBSA-N 2 0 321.468 3.615 20 0 DHADRP COc1cc(C)ccc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000823966647 1030434831 /nfs/dbraw/zinc/43/48/31/1030434831.db2.gz XXHHKSKTJXAUFJ-UHFFFAOYSA-N 2 0 316.489 3.890 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925655073 1030440884 /nfs/dbraw/zinc/44/08/84/1030440884.db2.gz JDCBFIKLJNYHJU-OKKOPOJRSA-N 2 0 304.865 3.705 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000925655387 1030444169 /nfs/dbraw/zinc/44/41/69/1030444169.db2.gz KAEGLIOSGOSRCH-ANZUROFZSA-N 2 0 322.855 3.773 20 0 DHADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925662549 1030445517 /nfs/dbraw/zinc/44/55/17/1030445517.db2.gz JDCBFIKLJNYHJU-YMCRMQOVSA-N 2 0 304.865 3.705 20 0 DHADRP C[C@@H]1CC(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000925666824 1030446043 /nfs/dbraw/zinc/44/60/43/1030446043.db2.gz NSBUTAKRYLMDJE-MDZRGWNJSA-N 2 0 304.478 3.650 20 0 DHADRP COc1cccc(C2(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)CC2)c1 ZINC000925669068 1030448904 /nfs/dbraw/zinc/44/89/04/1030448904.db2.gz OLHLFCORJWCGTR-FQEVSTJZSA-N 2 0 324.468 3.797 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccccc1 ZINC000925702471 1030458036 /nfs/dbraw/zinc/45/80/36/1030458036.db2.gz ACLITFDRINOMHA-IBGZPJMESA-N 2 0 309.457 3.615 20 0 DHADRP FC(F)(F)C1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925716672 1030463050 /nfs/dbraw/zinc/46/30/50/1030463050.db2.gz BPIMBGKRSBJFJK-LSDHHAIUSA-N 2 0 318.427 3.867 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1noc2cc(F)ccc12)c1ccccc1 ZINC000925730570 1030466530 /nfs/dbraw/zinc/46/65/30/1030466530.db2.gz WXZKKBLBVFLOQB-INIZCTEOSA-N 2 0 313.376 3.537 20 0 DHADRP Cc1cccc2c1[C@@H](C)C[C@@H]2N1CCc2sc(C[NH3+])nc2C1 ZINC000925749193 1030476811 /nfs/dbraw/zinc/47/68/11/1030476811.db2.gz VEUCBXOAGXOICJ-WFASDCNBSA-N 2 0 313.470 3.517 20 0 DHADRP CC(C)CC1(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246314219 1030476869 /nfs/dbraw/zinc/47/68/69/1030476869.db2.gz DXAUAKOCRNYENE-IEBWSBKVSA-N 2 0 315.505 3.708 20 0 DHADRP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000925757609 1030482916 /nfs/dbraw/zinc/48/29/16/1030482916.db2.gz UOLMDSISZOXURX-GFCCVEGCSA-N 2 0 300.368 3.970 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c2ccccc21 ZINC000925778623 1030492945 /nfs/dbraw/zinc/49/29/45/1030492945.db2.gz UMJSCDBTSCSRQS-CHWSQXEVSA-N 2 0 322.374 3.874 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)c1nc2ccccc2s1 ZINC000925875518 1030530533 /nfs/dbraw/zinc/53/05/33/1030530533.db2.gz JTOIGFBPWACQMO-DGAVXFQQSA-N 2 0 303.475 3.505 20 0 DHADRP C[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888223 1030536995 /nfs/dbraw/zinc/53/69/95/1030536995.db2.gz RKFZPVAPKGDHKF-DZFGPLHGSA-N 2 0 308.469 3.656 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000925887407 1030537366 /nfs/dbraw/zinc/53/73/66/1030537366.db2.gz CEAMVBOTAROXRM-FASAQXTFSA-N 2 0 316.395 3.675 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000925973705 1030563565 /nfs/dbraw/zinc/56/35/65/1030563565.db2.gz RUQXKSNAPLKBOG-RTBURBONSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000558419399 1030567721 /nfs/dbraw/zinc/56/77/21/1030567721.db2.gz VLSOEHVSTFRUQT-IBGZPJMESA-N 2 0 316.489 3.638 20 0 DHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171057891 1030579551 /nfs/dbraw/zinc/57/95/51/1030579551.db2.gz GYMPDUHSKZDZTM-CQSZACIVSA-N 2 0 315.288 3.782 20 0 DHADRP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358670182 1030581913 /nfs/dbraw/zinc/58/19/13/1030581913.db2.gz VKYTXZDFRHJDML-HLIPFELVSA-N 2 0 315.505 3.645 20 0 DHADRP COCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000339084662 1030672923 /nfs/dbraw/zinc/67/29/23/1030672923.db2.gz LNFQYKSSCKYCDZ-LPHOPBHVSA-N 2 0 316.489 3.576 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000247113709 1030686949 /nfs/dbraw/zinc/68/69/49/1030686949.db2.gz QSOJQIQZQIHYPN-OXJNMPFZSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc(C[NH+](C)C)c1 ZINC000926365222 1030714631 /nfs/dbraw/zinc/71/46/31/1030714631.db2.gz UCWAIOVUTCPSST-VQIMIIECSA-N 2 0 316.489 3.748 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CSc2ccccc2)C1 ZINC000248137164 1030718607 /nfs/dbraw/zinc/71/86/07/1030718607.db2.gz XTAVUCSNXDFGMY-IAGOWNOFSA-N 2 0 304.503 3.585 20 0 DHADRP C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(C[NH+](C)C)c1 ZINC000926378783 1030719823 /nfs/dbraw/zinc/71/98/23/1030719823.db2.gz PHRLADTVBHEFPE-HNNXBMFYSA-N 2 0 322.456 3.518 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926438324 1030739076 /nfs/dbraw/zinc/73/90/76/1030739076.db2.gz ARXAVFCWBQHFEE-CRAIPNDOSA-N 2 0 310.441 3.575 20 0 DHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926487961 1030760607 /nfs/dbraw/zinc/76/06/07/1030760607.db2.gz QELYLMGBMUOIOR-QGZVFWFLSA-N 2 0 318.505 3.831 20 0 DHADRP Cc1ccoc1C[NH+](C)C/C=C/C[N@@H+](C)Cc1occc1C ZINC000292095569 1030801862 /nfs/dbraw/zinc/80/18/62/1030801862.db2.gz FTWIRNXWQXTXNC-AATRIKPKSA-N 2 0 302.418 3.609 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(-c2ccccc2)no1 ZINC000926605484 1030821828 /nfs/dbraw/zinc/82/18/28/1030821828.db2.gz CTBRSTUTPWDXDC-ODIFPOPNSA-N 2 0 313.445 3.865 20 0 DHADRP C[C@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926602243 1030822116 /nfs/dbraw/zinc/82/21/16/1030822116.db2.gz WXVCGDNIECMIAT-YWZLYKJASA-N 2 0 310.441 3.670 20 0 DHADRP C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000926647549 1030838676 /nfs/dbraw/zinc/83/86/76/1030838676.db2.gz FCNSRUBYEIUNAP-QRWLVFNGSA-N 2 0 316.489 3.604 20 0 DHADRP C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926659142 1030846385 /nfs/dbraw/zinc/84/63/85/1030846385.db2.gz BKOLAEMNMPSWOY-BEVDRBHNSA-N 2 0 316.489 3.747 20 0 DHADRP C[C@H]1SCC[N@H+](CCC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000359222646 1030851066 /nfs/dbraw/zinc/85/10/66/1030851066.db2.gz PZQNBZKKOBWMQO-QAPCUYQASA-N 2 0 304.503 3.555 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(C[NH+](C)C)c1 ZINC000926708466 1030872279 /nfs/dbraw/zinc/87/22/79/1030872279.db2.gz IKKRAHWFZZBCPH-JLTOFOAXSA-N 2 0 310.441 3.792 20 0 DHADRP C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926795488 1030931913 /nfs/dbraw/zinc/93/19/13/1030931913.db2.gz QYDJTHVBYSMNLO-YSSFQJQWSA-N 2 0 316.489 3.604 20 0 DHADRP C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926795486 1030932607 /nfs/dbraw/zinc/93/26/07/1030932607.db2.gz QYDJTHVBYSMNLO-CWFSZBLJSA-N 2 0 316.489 3.604 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000926838211 1030947506 /nfs/dbraw/zinc/94/75/06/1030947506.db2.gz RKQZVANFXBXHSX-UXHICEINSA-N 2 0 318.505 3.599 20 0 DHADRP C[C@H]([NH2+]Cc1nccc2c1CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000926883126 1030966195 /nfs/dbraw/zinc/96/61/95/1030966195.db2.gz KCMNRXIXALWNHW-INIZCTEOSA-N 2 0 323.484 3.873 20 0 DHADRP CC[C@H](c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000558953680 1030968148 /nfs/dbraw/zinc/96/81/48/1030968148.db2.gz LZVZWMGFQWXZTP-HXUWFJFHSA-N 2 0 316.489 3.572 20 0 DHADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926891012 1030969129 /nfs/dbraw/zinc/96/91/29/1030969129.db2.gz XOFRBHBIUSGRHB-LWSMDNFKSA-N 2 0 310.526 3.703 20 0 DHADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171109753 1030990664 /nfs/dbraw/zinc/99/06/64/1030990664.db2.gz MEYOWLDEZCRNPV-KZNAEPCWSA-N 2 0 306.881 3.660 20 0 DHADRP CC(C)C1CCC([NH+]2CCN(CCCCCCC[NH3+])CC2)CC1 ZINC000844221006 1030997762 /nfs/dbraw/zinc/99/77/62/1030997762.db2.gz GZNNNWSOOXUSHU-UHFFFAOYSA-N 2 0 323.569 3.728 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000897536163 1031020456 /nfs/dbraw/zinc/02/04/56/1031020456.db2.gz IXRQZIANHHYSTC-ZULIPRJHSA-N 2 0 322.537 3.560 20 0 DHADRP Cc1c[nH+]ccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000359552670 1031021198 /nfs/dbraw/zinc/02/11/98/1031021198.db2.gz OJMRHQAHLQGWDK-UHFFFAOYSA-N 2 0 321.468 3.883 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171115757 1031044314 /nfs/dbraw/zinc/04/43/14/1031044314.db2.gz FWEODNGNIXRDPQ-DNOPENIRSA-N 2 0 320.908 3.907 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(F)c1 ZINC000927037877 1031045404 /nfs/dbraw/zinc/04/54/04/1031045404.db2.gz LMVCCRWWBVAXFP-XVTSOASTSA-N 2 0 320.452 3.892 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000927036974 1031046194 /nfs/dbraw/zinc/04/61/94/1031046194.db2.gz LDRDNOGKTQVNKF-NQKNOSNGSA-N 2 0 313.489 3.930 20 0 DHADRP CCc1noc(C)c1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038534 1031046422 /nfs/dbraw/zinc/04/64/22/1031046422.db2.gz PGXVWRUJYYXACI-MJJDPTRDSA-N 2 0 305.466 3.603 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000927038907 1031046711 /nfs/dbraw/zinc/04/67/11/1031046711.db2.gz RYPLNAQDOXEUHN-XBMUEBEBSA-N 2 0 317.452 3.668 20 0 DHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc2c(c1)CCO2 ZINC000927039926 1031048537 /nfs/dbraw/zinc/04/85/37/1031048537.db2.gz XQOWGJFTBJAHNC-MYWSLZCHSA-N 2 0 314.473 3.679 20 0 DHADRP CSCC1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927040614 1031049015 /nfs/dbraw/zinc/04/90/15/1031049015.db2.gz ZHRPJGVUONCBPG-UHFFFAOYSA-N 2 0 310.551 3.905 20 0 DHADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593503 1031049305 /nfs/dbraw/zinc/04/93/05/1031049305.db2.gz RZTAEHGCRQGBNS-JXFKEZNVSA-N 2 0 309.457 3.884 20 0 DHADRP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)[C@H](C)C1 ZINC001171116479 1031051068 /nfs/dbraw/zinc/05/10/68/1031051068.db2.gz QJNDUZKPHPFMCV-ZMYBRWDISA-N 2 0 320.908 3.906 20 0 DHADRP CC(C)O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000292563061 1031077504 /nfs/dbraw/zinc/07/75/04/1031077504.db2.gz RTQYXCIWJQIJQR-AZUAARDMSA-N 2 0 316.489 3.570 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(C[NH+](C)C)c1 ZINC000927091978 1031081833 /nfs/dbraw/zinc/08/18/33/1031081833.db2.gz VNCUQFVUTVQJRL-HNNXBMFYSA-N 2 0 310.441 3.534 20 0 DHADRP COc1cc(-c2ccccc2)ccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262005428 1031088142 /nfs/dbraw/zinc/08/81/42/1031088142.db2.gz LTTBOENFPBLCQV-NRFANRHFSA-N 2 0 322.452 3.548 20 0 DHADRP C[NH2+]CCC1CC[NH+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000261999299 1031088541 /nfs/dbraw/zinc/08/85/41/1031088541.db2.gz PBKWPIFQXNUYHI-OAHLLOKOSA-N 2 0 313.445 3.724 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cn1 ZINC000359708989 1031109052 /nfs/dbraw/zinc/10/90/52/1031109052.db2.gz ANYOQWBYEMIBPO-CYBMUJFWSA-N 2 0 303.837 3.647 20 0 DHADRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc2ccccc21 ZINC000648585361 1031138479 /nfs/dbraw/zinc/13/84/79/1031138479.db2.gz GRNWNABEIXIPPL-INIZCTEOSA-N 2 0 312.457 3.668 20 0 DHADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c2ccccc12 ZINC000321471156 1031186031 /nfs/dbraw/zinc/18/60/31/1031186031.db2.gz FLCAVCVLTMCPCS-MRXNPFEDSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1N(C)C ZINC000658355035 1031187829 /nfs/dbraw/zinc/18/78/29/1031187829.db2.gz GWQJIGRPYAMZEY-INIZCTEOSA-N 2 0 315.505 3.525 20 0 DHADRP CCC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000359939317 1031206578 /nfs/dbraw/zinc/20/65/78/1031206578.db2.gz BQVIISZSGFAGMJ-FHWLQOOXSA-N 2 0 302.462 3.753 20 0 DHADRP CCc1cc(CN2CCC([NH+]3CCCC3)CC2)cc(CC)c1O ZINC001144136616 1031271309 /nfs/dbraw/zinc/27/13/09/1031271309.db2.gz AOSCTGJATJUNAT-UHFFFAOYSA-N 2 0 316.489 3.577 20 0 DHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421875044 1031291720 /nfs/dbraw/zinc/29/17/20/1031291720.db2.gz JMXWZONSNMWHLD-MHJFOBGBSA-N 2 0 318.505 3.690 20 0 DHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C1CCCCC1)c1ccccc1O2 ZINC000360254113 1031346979 /nfs/dbraw/zinc/34/69/79/1031346979.db2.gz MQOXYTWIOLKJLW-SFHVURJKSA-N 2 0 314.473 3.897 20 0 DHADRP CC(C)c1ncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000536652464 1031358516 /nfs/dbraw/zinc/35/85/16/1031358516.db2.gz PQTILYWMNCUXAM-UHFFFAOYSA-N 2 0 309.523 3.819 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000872021919 1031406098 /nfs/dbraw/zinc/40/60/98/1031406098.db2.gz GEUGPGMMCLSLFX-MKXGPGLRSA-N 2 0 310.526 3.539 20 0 DHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC000872027649 1031411491 /nfs/dbraw/zinc/41/14/91/1031411491.db2.gz FRWBHFAWFJPDES-RTBURBONSA-N 2 0 322.537 3.824 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@@H]1CCCOC1 ZINC000872028094 1031412577 /nfs/dbraw/zinc/41/25/77/1031412577.db2.gz NQOWCPMPRINOCO-UXHICEINSA-N 2 0 318.505 3.822 20 0 DHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CCO1 ZINC000872033263 1031417016 /nfs/dbraw/zinc/41/70/16/1031417016.db2.gz CERZORWKJFUMKR-ROUUACIJSA-N 2 0 310.526 3.826 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000872032884 1031417560 /nfs/dbraw/zinc/41/75/60/1031417560.db2.gz BIPLUWMTNWGQFB-RBUKOAKNSA-N 2 0 318.505 3.822 20 0 DHADRP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000536960254 1031478465 /nfs/dbraw/zinc/47/84/65/1031478465.db2.gz QGPUKYXIHZESNQ-HNNXBMFYSA-N 2 0 302.384 3.944 20 0 DHADRP COCC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000872106229 1031496412 /nfs/dbraw/zinc/49/64/12/1031496412.db2.gz PTYJIZGDKKHHCE-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)C1 ZINC000872110315 1031500298 /nfs/dbraw/zinc/50/02/98/1031500298.db2.gz WZNJHWVTNCWSMU-OMZCVMJRSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000537202944 1031535090 /nfs/dbraw/zinc/53/50/90/1031535090.db2.gz FKKMQVTUXOEQFU-HOJAQTOUSA-N 2 0 300.490 3.671 20 0 DHADRP CC(C)n1ccc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156067 1031536299 /nfs/dbraw/zinc/53/62/99/1031536299.db2.gz DHYVDNAWNNHGQN-APWZRJJASA-N 2 0 318.509 3.584 20 0 DHADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000537204442 1031539101 /nfs/dbraw/zinc/53/91/01/1031539101.db2.gz PHZKCRXNBQCONY-UYAOXDASSA-N 2 0 316.489 3.638 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293720944 1031589307 /nfs/dbraw/zinc/58/93/07/1031589307.db2.gz TZPUKXHGCGYIHO-KRWDZBQOSA-N 2 0 304.478 3.569 20 0 DHADRP C[C@H](CCc1ccsc1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000360956685 1031642842 /nfs/dbraw/zinc/64/28/42/1031642842.db2.gz VYZWBJVEXZPSCV-BRWVUGGUSA-N 2 0 324.534 3.548 20 0 DHADRP Cn1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000293850378 1031658075 /nfs/dbraw/zinc/65/80/75/1031658075.db2.gz HQAURTBJWLZJCZ-UHFFFAOYSA-N 2 0 323.484 3.513 20 0 DHADRP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527239157 1031674953 /nfs/dbraw/zinc/67/49/53/1031674953.db2.gz QRABBTCRYQWCLR-APWZRJJASA-N 2 0 314.498 3.791 20 0 DHADRP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208224 1031761455 /nfs/dbraw/zinc/76/14/55/1031761455.db2.gz FLILBNODFQUZQD-CMPLNLGQSA-N 2 0 318.408 3.557 20 0 DHADRP c1c(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000873212069 1031761608 /nfs/dbraw/zinc/76/16/08/1031761608.db2.gz GRIRZDDVEHGBEJ-YTQUADARSA-N 2 0 324.493 3.629 20 0 DHADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000873222856 1031764895 /nfs/dbraw/zinc/76/48/95/1031764895.db2.gz DCLVXZIOPSZABV-KRWDZBQOSA-N 2 0 307.507 3.608 20 0 DHADRP FC(F)(F)C1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000873236322 1031770541 /nfs/dbraw/zinc/77/05/41/1031770541.db2.gz WBWWFKDIGSOWFL-UHFFFAOYSA-N 2 0 312.379 3.543 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc2cc(Br)ccc2o1 ZINC000873250948 1031774269 /nfs/dbraw/zinc/77/42/69/1031774269.db2.gz JWBFNUBLDXQMIK-OUJBWJOFSA-N 2 0 323.234 3.583 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000873259235 1031777683 /nfs/dbraw/zinc/77/76/83/1031777683.db2.gz AFULRLBFWGJNFG-RKLWJJNISA-N 2 0 312.379 3.887 20 0 DHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873258325 1031777757 /nfs/dbraw/zinc/77/77/57/1031777757.db2.gz NXKCGZWSWJYAFA-MPGHIAIKSA-N 2 0 310.441 3.750 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259802 1031779226 /nfs/dbraw/zinc/77/92/26/1031779226.db2.gz LONYTNZQLADAHJ-REBRKWNGSA-N 2 0 321.534 3.930 20 0 DHADRP CCSc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873262879 1031780566 /nfs/dbraw/zinc/78/05/66/1031780566.db2.gz CVBZIXIYCNOCHD-DIECFANBSA-N 2 0 304.503 3.980 20 0 DHADRP Clc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263325 1031780419 /nfs/dbraw/zinc/78/04/19/1031780419.db2.gz IEEPEXQQIJFRBO-OQMKEHIESA-N 2 0 322.905 3.997 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000873259846 1031780506 /nfs/dbraw/zinc/78/05/06/1031780506.db2.gz NGWWPBFMAWMKKV-AVRGHOLYSA-N 2 0 323.278 3.630 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000873269383 1031782092 /nfs/dbraw/zinc/78/20/92/1031782092.db2.gz GMLZPDCVKMJEKW-RYUDHWBXSA-N 2 0 316.367 3.624 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000873269381 1031782222 /nfs/dbraw/zinc/78/22/22/1031782222.db2.gz GMLZPDCVKMJEKW-NWDGAFQWSA-N 2 0 316.367 3.624 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)C3CC[NH2+]CC3)oc21 ZINC000873269499 1031782293 /nfs/dbraw/zinc/78/22/93/1031782293.db2.gz QIRXTBFJUVJEOI-ZIAGYGMSSA-N 2 0 316.445 3.870 20 0 DHADRP CC(C)C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000873290233 1031789173 /nfs/dbraw/zinc/78/91/73/1031789173.db2.gz BSMUIIZCHIHCPZ-RBUKOAKNSA-N 2 0 316.489 3.522 20 0 DHADRP C[C@@H]1CC2(CC([NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)C2)CO1 ZINC000897778067 1031827290 /nfs/dbraw/zinc/82/72/90/1031827290.db2.gz DJZBWLIWQXXDSC-LJZGOAPGSA-N 2 0 320.521 3.577 20 0 DHADRP Cc1nc(C)c(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)[nH]1 ZINC000930538798 1031862007 /nfs/dbraw/zinc/86/20/07/1031862007.db2.gz QMDURDXKSMNFPI-UXHICEINSA-N 2 0 321.424 3.591 20 0 DHADRP COc1ccc2cc(C[N@H+](C)CCCCCC[NH3+])ccc2c1 ZINC000846217690 1031931593 /nfs/dbraw/zinc/93/15/93/1031931593.db2.gz LYIHZHKDEKOBPB-UHFFFAOYSA-N 2 0 300.446 3.799 20 0 DHADRP [NH3+]CCCCCC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000846219780 1031932686 /nfs/dbraw/zinc/93/26/86/1031932686.db2.gz WWIPDNBTWKEZEB-MRXNPFEDSA-N 2 0 312.910 3.949 20 0 DHADRP COc1ccc(C[C@@H]2CCCC[N@@H+]2CCCCCC[NH3+])cc1 ZINC000846225532 1031932791 /nfs/dbraw/zinc/93/27/91/1031932791.db2.gz OFZXPABEWLJLEZ-SFHVURJKSA-N 2 0 304.478 3.611 20 0 DHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Br)c1 ZINC000036919866 1031946027 /nfs/dbraw/zinc/94/60/27/1031946027.db2.gz PIKWJNQTLJFXEX-GVZPALNKSA-N 2 0 323.278 3.725 20 0 DHADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000069645397 1031975069 /nfs/dbraw/zinc/97/50/69/1031975069.db2.gz WLLDHLLZBHVQHB-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP Cc1ncccc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000898254660 1032003982 /nfs/dbraw/zinc/00/39/82/1032003982.db2.gz FLRJVLMGXJNTDU-OXJNMPFZSA-N 2 0 315.505 3.565 20 0 DHADRP CSCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361675656 1032047174 /nfs/dbraw/zinc/04/71/74/1032047174.db2.gz NNYBTLMJNMRCEJ-MOPGFXCFSA-N 2 0 318.530 3.726 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535405 1032055411 /nfs/dbraw/zinc/05/54/11/1032055411.db2.gz SHKPJZTVMIERQH-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP C[NH+](C)Cc1ccc(CC[NH2+]C2CC(C)(C)OC(C)(C)C2)cc1 ZINC001172648503 1033303076 /nfs/dbraw/zinc/30/30/76/1033303076.db2.gz XAKLJIRNXWJKCN-UHFFFAOYSA-N 2 0 318.505 3.617 20 0 DHADRP CC1(C)CC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)O1 ZINC001172654050 1033305728 /nfs/dbraw/zinc/30/57/28/1033305728.db2.gz VGDRUNGLJLAJMP-KOMQPUFPSA-N 2 0 308.510 3.847 20 0 DHADRP Brc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643522557 1033339941 /nfs/dbraw/zinc/33/99/41/1033339941.db2.gz PGMMAMAEOCSEOV-HZPDHXFCSA-N 2 0 323.278 3.632 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(F)c1 ZINC001168360239 1033340918 /nfs/dbraw/zinc/34/09/18/1033340918.db2.gz LVXMLTBKKFPCFA-LJQANCHMSA-N 2 0 304.453 3.987 20 0 DHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001172711939 1033346435 /nfs/dbraw/zinc/34/64/35/1033346435.db2.gz IGUOXMKMQUJLRR-SFHVURJKSA-N 2 0 318.892 3.804 20 0 DHADRP C[C@@H]1[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000477929356 1033369222 /nfs/dbraw/zinc/36/92/22/1033369222.db2.gz RERZBQKWMQHSOL-YTQUADARSA-N 2 0 300.490 3.890 20 0 DHADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477929354 1033370816 /nfs/dbraw/zinc/37/08/16/1033370816.db2.gz RERZBQKWMQHSOL-UHOSZYNNSA-N 2 0 300.490 3.890 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172818470 1033380719 /nfs/dbraw/zinc/38/07/19/1033380719.db2.gz NIGJWBBYAWJOBQ-GPJFCIFZSA-N 2 0 300.490 3.719 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818696 1033381839 /nfs/dbraw/zinc/38/18/39/1033381839.db2.gz PZLSWZWDUDCCSW-SOAGJPPSSA-N 2 0 300.490 3.862 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)CC2 ZINC001172826963 1033389615 /nfs/dbraw/zinc/38/96/15/1033389615.db2.gz YLUHRBONZXDDTR-FQEVSTJZSA-N 2 0 300.490 3.564 20 0 DHADRP Cc1ccc2c(c1)C[C@@H]([NH+]1C(C)(C)CC([NH3+])CC1(C)C)CC2 ZINC001172835964 1033398418 /nfs/dbraw/zinc/39/84/18/1033398418.db2.gz RCQWDIPQANFSBJ-SFHVURJKSA-N 2 0 300.490 3.833 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172838455 1033409830 /nfs/dbraw/zinc/40/98/30/1033409830.db2.gz LBCXNUROXXXUNK-ZDUSSCGKSA-N 2 0 300.849 3.732 20 0 DHADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncc(C(C)(C)C)s1)CC2 ZINC000877684100 1033410680 /nfs/dbraw/zinc/41/06/80/1033410680.db2.gz GCUIPVLKRKCCNO-UHFFFAOYSA-N 2 0 321.534 3.748 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCC[NH+]1CCCCC1 ZINC001172842204 1033412322 /nfs/dbraw/zinc/41/23/22/1033412322.db2.gz PSDGRILIYRRHSD-AWEZNQCLSA-N 2 0 312.860 3.876 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)CC2 ZINC001172842596 1033412383 /nfs/dbraw/zinc/41/23/83/1033412383.db2.gz NQPNXLVCHOMXIX-DYXWJJEUSA-N 2 0 314.517 3.986 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001172852081 1033421561 /nfs/dbraw/zinc/42/15/61/1033421561.db2.gz NQPRZBBTOUCDBQ-IYXRBSQSSA-N 2 0 312.860 3.907 20 0 DHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC(C)(C)C[NH+](C)C ZINC001172857477 1033425837 /nfs/dbraw/zinc/42/58/37/1033425837.db2.gz VBESCCNKCJTLPX-GFCCVEGCSA-N 2 0 300.849 3.588 20 0 DHADRP Cc1nn(C(C)C)cc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767588 1033439663 /nfs/dbraw/zinc/43/96/63/1033439663.db2.gz OTTVMFXWVVBJKQ-UHFFFAOYSA-N 2 0 320.525 3.572 20 0 DHADRP CC(C)C[N@@H+](Cc1ccc(Cl)nc1)CC1CC[NH+](C)CC1 ZINC000877767470 1033440174 /nfs/dbraw/zinc/44/01/74/1033440174.db2.gz KJEXCTYOGZRJJD-UHFFFAOYSA-N 2 0 309.885 3.535 20 0 DHADRP Cc1cc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000478284919 1033444332 /nfs/dbraw/zinc/44/43/32/1033444332.db2.gz JPEZVHQAKDIFQM-QGZVFWFLSA-N 2 0 315.486 3.759 20 0 DHADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)CSc3ccc(Cl)cc3)C[C@H]2C1 ZINC001172885615 1033458821 /nfs/dbraw/zinc/45/88/21/1033458821.db2.gz QYDZFRODNRPXAC-RRFJBIMHSA-N 2 0 324.921 3.704 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172918755 1033467346 /nfs/dbraw/zinc/46/73/46/1033467346.db2.gz MQJHTIOSZJGTCR-IEBWSBKVSA-N 2 0 308.510 3.578 20 0 DHADRP CO[C@@H]1CCC[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928808 1033471444 /nfs/dbraw/zinc/47/14/44/1033471444.db2.gz LWGZUHQVZHIENO-NXWXRZEISA-N 2 0 308.510 3.849 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001172930276 1033473952 /nfs/dbraw/zinc/47/39/52/1033473952.db2.gz RKANRDNHLQFCCS-IAGOWNOFSA-N 2 0 322.880 3.547 20 0 DHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3(C)CC(F)(F)C3)CC2)C1 ZINC000877833554 1033478654 /nfs/dbraw/zinc/47/86/54/1033478654.db2.gz IHALABJGPVTYGA-ZFWWWQNUSA-N 2 0 300.437 3.807 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000152384181 1033517783 /nfs/dbraw/zinc/51/77/83/1033517783.db2.gz WHOUFECTGYEPEG-KBPBESRZSA-N 2 0 324.415 3.731 20 0 DHADRP CCCOC1CCC([NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001173103150 1033539557 /nfs/dbraw/zinc/53/95/57/1033539557.db2.gz XTPTYWGGOOUAIE-UHFFFAOYSA-N 2 0 308.510 3.675 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCc2ncccc2C)CC1 ZINC001173106544 1033542841 /nfs/dbraw/zinc/54/28/41/1033542841.db2.gz XUBAGUJIJDDJQQ-UHFFFAOYSA-N 2 0 303.494 3.565 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H](CN(C)C)c2ccccc2)CC1 ZINC001173105378 1033543121 /nfs/dbraw/zinc/54/31/21/1033543121.db2.gz RYKJVOMRAVQCNS-MHJFOBGBSA-N 2 0 317.521 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC001173106039 1033543276 /nfs/dbraw/zinc/54/32/76/1033543276.db2.gz RAGJYGKKYXQDDA-UHFFFAOYSA-N 2 0 301.887 3.539 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ccnc3ccccc23)CC1 ZINC001173104707 1033543312 /nfs/dbraw/zinc/54/33/12/1033543312.db2.gz LFXPGOXLVVXXMO-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001173108395 1033544848 /nfs/dbraw/zinc/54/48/48/1033544848.db2.gz JGMOBZGPGVMBDZ-ACBHZAAOSA-N 2 0 301.478 3.872 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(Cc3ccc(O)cc3)CC2)CC1 ZINC001173109777 1033545622 /nfs/dbraw/zinc/54/56/22/1033545622.db2.gz GRSLDSVWROPERS-UHFFFAOYSA-N 2 0 316.489 3.710 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3ccc(C)cn3)CC2)CC1 ZINC001173107154 1033545943 /nfs/dbraw/zinc/54/59/43/1033545943.db2.gz XHPNWCFOHHVYGR-UHFFFAOYSA-N 2 0 315.505 3.664 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)c2ncccc2C)CC1 ZINC001173110687 1033546067 /nfs/dbraw/zinc/54/60/67/1033546067.db2.gz RILUWDHRUKBKIU-UHFFFAOYSA-N 2 0 317.521 3.910 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C(C)(C)CC2CCOCC2)CC1 ZINC001173109260 1033546158 /nfs/dbraw/zinc/54/61/58/1033546158.db2.gz APUSBKLCEGWNIM-UHFFFAOYSA-N 2 0 310.526 3.824 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC2(c3ccccc3)CC2)CC1 ZINC001173107824 1033546184 /nfs/dbraw/zinc/54/61/84/1033546184.db2.gz OOVRNIGNOBFURB-UHFFFAOYSA-N 2 0 300.490 3.961 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001173111715 1033547969 /nfs/dbraw/zinc/54/79/69/1033547969.db2.gz KGXFDJUQJKGQTN-LMDPOFIKSA-N 2 0 301.478 3.524 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001173113111 1033548572 /nfs/dbraw/zinc/54/85/72/1033548572.db2.gz JAKHLKRVRCKPLN-UHFFFAOYSA-N 2 0 308.510 3.675 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@H]2CN2CCCC2)CC1 ZINC001173112628 1033548679 /nfs/dbraw/zinc/54/86/79/1033548679.db2.gz YLQKGKZYRHBEMT-MHJFOBGBSA-N 2 0 321.553 3.590 20 0 DHADRP CCOC[C@@]12CCC[C@@H]1C[N@@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173111137 1033548709 /nfs/dbraw/zinc/54/87/09/1033548709.db2.gz NEIIXCNUDFPXMD-OAHAVBBTSA-N 2 0 322.537 3.778 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2Cc3ccc(F)cc3C2)CC1 ZINC001173110924 1033549485 /nfs/dbraw/zinc/54/94/85/1033549485.db2.gz UUCKZKNTNKBMHL-JLAWEPINSA-N 2 0 304.453 3.536 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878048734 1033568607 /nfs/dbraw/zinc/56/86/07/1033568607.db2.gz WXFFXRFRAPXDJJ-MRXNPFEDSA-N 2 0 302.453 3.864 20 0 DHADRP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878119879 1033585985 /nfs/dbraw/zinc/58/59/85/1033585985.db2.gz CROCIBQWFUCPHN-HOTGVXAUSA-N 2 0 300.437 3.762 20 0 DHADRP C[NH+](C)CCC(C)(C)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173200736 1033593626 /nfs/dbraw/zinc/59/36/26/1033593626.db2.gz PQFULUNYMBYKQU-UHFFFAOYSA-N 2 0 304.478 3.697 20 0 DHADRP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(OC)cc3)CC2)C1 ZINC001173273954 1033642392 /nfs/dbraw/zinc/64/23/92/1033642392.db2.gz HWJYMQXOXFUMAV-RDJZCZTQSA-N 2 0 302.462 3.524 20 0 DHADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286035 1033649492 /nfs/dbraw/zinc/64/94/92/1033649492.db2.gz JIZLZAZINJGGFT-UXLLHSPISA-N 2 0 312.448 3.761 20 0 DHADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC000878321180 1033657833 /nfs/dbraw/zinc/65/78/33/1033657833.db2.gz CFWJCXIAWUATMF-SFHVURJKSA-N 2 0 323.569 3.549 20 0 DHADRP CCC[N@@H+]1CC[C@@H](CN[C@H](c2cc(F)ccc2F)C(C)C)C1 ZINC000479341905 1033729256 /nfs/dbraw/zinc/72/92/56/1033729256.db2.gz GNRIXODELMYONK-KSSFIOAISA-N 2 0 310.432 3.983 20 0 DHADRP C[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553580 1033770742 /nfs/dbraw/zinc/77/07/42/1033770742.db2.gz ZVGZILRUQQLIFJ-RYUDHWBXSA-N 2 0 303.277 3.841 20 0 DHADRP CC1(C)CCC[C@@H](CN2CCC([NH2+]Cc3ccccc3)CC2)O1 ZINC000878668464 1033792205 /nfs/dbraw/zinc/79/22/05/1033792205.db2.gz WVVPUNXDIYRACT-IBGZPJMESA-N 2 0 316.489 3.588 20 0 DHADRP Cc1ncc(C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)n1C ZINC000667530885 1033843168 /nfs/dbraw/zinc/84/31/68/1033843168.db2.gz OMWXMFNULINARQ-ZDUSSCGKSA-N 2 0 321.827 3.728 20 0 DHADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc3ccccc32)CC1 ZINC001173796676 1033865896 /nfs/dbraw/zinc/86/58/96/1033865896.db2.gz PZGCMAXBYWTDEW-UHFFFAOYSA-N 2 0 318.424 3.730 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000554088278 1033959186 /nfs/dbraw/zinc/95/91/86/1033959186.db2.gz IPPBGSIKQMQCGF-SJLPKXTDSA-N 2 0 304.453 3.769 20 0 DHADRP Cc1c[nH+]ccc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000480082006 1034062074 /nfs/dbraw/zinc/06/20/74/1034062074.db2.gz MRPZPVADPMVPAS-KRWDZBQOSA-N 2 0 301.478 3.871 20 0 DHADRP CC[N@H+](CCC1CCN(c2cc[nH+]cc2C)CC1)CC1CC1 ZINC000480099732 1034075812 /nfs/dbraw/zinc/07/58/12/1034075812.db2.gz YCHXIVVFJSNZMH-UHFFFAOYSA-N 2 0 301.478 3.728 20 0 DHADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(C)o1 ZINC000119432943 1034076942 /nfs/dbraw/zinc/07/69/42/1034076942.db2.gz WXGKFHNNCRHSTC-UHFFFAOYSA-N 2 0 318.486 3.960 20 0 DHADRP C[C@@H]([NH2+]CCC1(F)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554372875 1034122001 /nfs/dbraw/zinc/12/20/01/1034122001.db2.gz AYNKWKRWYZCHFE-AEFFLSMTSA-N 2 0 304.453 3.769 20 0 DHADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000863542346 1034123652 /nfs/dbraw/zinc/12/36/52/1034123652.db2.gz QBHZXICSVFMXMT-NOZJJQNGSA-N 2 0 314.260 3.511 20 0 DHADRP CCc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CCCC3)C2)c1C ZINC000554538177 1034204726 /nfs/dbraw/zinc/20/47/26/1034204726.db2.gz QHEPQTGXHLXDJW-INIZCTEOSA-N 2 0 309.457 3.780 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2(OC)CCCCC2)c1 ZINC000480385178 1034230378 /nfs/dbraw/zinc/23/03/78/1034230378.db2.gz FRGNRIZVSLVAAZ-UHFFFAOYSA-N 2 0 304.478 3.577 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1F ZINC000658355127 1034278578 /nfs/dbraw/zinc/27/85/78/1034278578.db2.gz AVDAIUYEAYMXSZ-ZDUSSCGKSA-N 2 0 308.416 3.737 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000480608290 1034338783 /nfs/dbraw/zinc/33/87/83/1034338783.db2.gz HADRKBPRRDIIEJ-VQIMIIECSA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(C2CCCCC2)s1 ZINC000554889100 1034393279 /nfs/dbraw/zinc/39/32/79/1034393279.db2.gz GCUVXHARBYDTIL-YOEHRIQHSA-N 2 0 321.534 3.963 20 0 DHADRP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000480786384 1034452869 /nfs/dbraw/zinc/45/28/69/1034452869.db2.gz MLQUJTPPBATBHD-MSOLQXFVSA-N 2 0 308.510 3.532 20 0 DHADRP CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000480917127 1034507346 /nfs/dbraw/zinc/50/73/46/1034507346.db2.gz XZQFPVBGODREKX-UHFFFAOYSA-N 2 0 314.395 3.917 20 0 DHADRP CC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835920 1034539005 /nfs/dbraw/zinc/53/90/05/1034539005.db2.gz ULWNGAVIBDPVFG-CQSZACIVSA-N 2 0 317.864 3.662 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000481036766 1034566284 /nfs/dbraw/zinc/56/62/84/1034566284.db2.gz LHGYBANKGQTITJ-AZUAARDMSA-N 2 0 300.490 3.638 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000186405252 1034625820 /nfs/dbraw/zinc/62/58/20/1034625820.db2.gz PBMLGVGLDJVCMS-IBGZPJMESA-N 2 0 301.478 3.643 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc3c(F)cccc3c2)c1 ZINC000865407213 1034630666 /nfs/dbraw/zinc/63/06/66/1034630666.db2.gz AJPLXWDBTDZHIY-UHFFFAOYSA-N 2 0 323.415 3.725 20 0 DHADRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc3ccccc3c2)CC1 ZINC001174876937 1034656862 /nfs/dbraw/zinc/65/68/62/1034656862.db2.gz YVAIVHOZMONEEZ-UHFFFAOYSA-N 2 0 318.424 3.730 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186846595 1034667408 /nfs/dbraw/zinc/66/74/08/1034667408.db2.gz QDYNADIJCRNXBC-VRKREXBASA-N 2 0 314.395 3.651 20 0 DHADRP Fc1ccc(CCCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000187759292 1034730762 /nfs/dbraw/zinc/73/07/62/1034730762.db2.gz HMQTVDLPGQIGRW-RTBURBONSA-N 2 0 304.453 3.755 20 0 DHADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000192475105 1034806006 /nfs/dbraw/zinc/80/60/06/1034806006.db2.gz VCXYKKGGVURINH-ABSDTBQOSA-N 2 0 316.489 3.576 20 0 DHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481393211 1034809077 /nfs/dbraw/zinc/80/90/77/1034809077.db2.gz QWVNBQZBERLGRC-APWZRJJASA-N 2 0 304.453 3.880 20 0 DHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000162873221 1034851680 /nfs/dbraw/zinc/85/16/80/1034851680.db2.gz IACDKSXZFUXWNW-XHSDSOJGSA-N 2 0 324.896 3.880 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000482330906 1035085703 /nfs/dbraw/zinc/08/57/03/1035085703.db2.gz JDVPLIUTJIEGQF-CKFHNAJUSA-N 2 0 313.489 3.911 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000158903070 1035110710 /nfs/dbraw/zinc/11/07/10/1035110710.db2.gz NBZLZHNWIFKKKZ-KRWDZBQOSA-N 2 0 306.881 3.660 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000160033275 1035128406 /nfs/dbraw/zinc/12/84/06/1035128406.db2.gz NTHJLFKEKIOBFF-CORIIIEPSA-N 2 0 311.267 3.617 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](CCCc2cccc(C)c2)CC1 ZINC001176235715 1035229077 /nfs/dbraw/zinc/22/90/77/1035229077.db2.gz YMEYIRPFJGNGLE-UHFFFAOYSA-N 2 0 300.490 3.878 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000065275727 1035280699 /nfs/dbraw/zinc/28/06/99/1035280699.db2.gz DRIZNEXAUWKIOV-UHFFFAOYSA-N 2 0 324.468 3.796 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000483722021 1035292661 /nfs/dbraw/zinc/29/26/61/1035292661.db2.gz HWIJEXXBNUVUAA-FSGKZVOOSA-N 2 0 322.537 3.682 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000483740350 1035295180 /nfs/dbraw/zinc/29/51/80/1035295180.db2.gz BIBRWWYPUDTUOC-HNNXBMFYSA-N 2 0 321.484 3.664 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001176567886 1035296449 /nfs/dbraw/zinc/29/64/49/1035296449.db2.gz SGIBYTXWHJUDTE-MOPGFXCFSA-N 2 0 300.490 3.986 20 0 DHADRP C[N@H+](CCCn1ccnc1)CCc1cc(Cl)cc(Cl)c1 ZINC000194745601 1035317552 /nfs/dbraw/zinc/31/75/52/1035317552.db2.gz QRYCVNBLCVXSEP-UHFFFAOYSA-N 2 0 312.244 3.755 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC001177127758 1035349215 /nfs/dbraw/zinc/34/92/15/1035349215.db2.gz MPODYQPLJOGWBM-MAUKXSAKSA-N 2 0 306.519 3.902 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CC(C)(C)c2ccccc2)C1 ZINC001177294385 1035359893 /nfs/dbraw/zinc/35/98/93/1035359893.db2.gz IVZVJWGJTBEDRH-ROUUACIJSA-N 2 0 302.506 3.922 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001177290740 1035360269 /nfs/dbraw/zinc/36/02/69/1035360269.db2.gz VQDRIFSANMMVQD-IYBDPMFKSA-N 2 0 308.466 3.526 20 0 DHADRP Cc1cccc2[nH]c(C[NH2+]CCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc21 ZINC001177294911 1035360718 /nfs/dbraw/zinc/36/07/18/1035360718.db2.gz RXIPUBGPTLRQIJ-HZPDHXFCSA-N 2 0 313.489 3.934 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000484658930 1035385016 /nfs/dbraw/zinc/38/50/16/1035385016.db2.gz WJCUWGFYMLZQCA-WMLDXEAASA-N 2 0 308.897 3.839 20 0 DHADRP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001177674578 1035386711 /nfs/dbraw/zinc/38/67/11/1035386711.db2.gz ZPCYJBMYPSZULL-IEBWSBKVSA-N 2 0 318.505 3.933 20 0 DHADRP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001177674579 1035387035 /nfs/dbraw/zinc/38/70/35/1035387035.db2.gz ZPCYJBMYPSZULL-MJGOQNOKSA-N 2 0 318.505 3.933 20 0 DHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCCSC1 ZINC000484803522 1035402569 /nfs/dbraw/zinc/40/25/69/1035402569.db2.gz OGFURMFRYJFBDH-KRWDZBQOSA-N 2 0 306.519 3.630 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000904360904 1035404036 /nfs/dbraw/zinc/40/40/36/1035404036.db2.gz RSVHHYKTYNVQKL-VHSSKADRSA-N 2 0 300.833 3.756 20 0 DHADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195137763 1035416037 /nfs/dbraw/zinc/41/60/37/1035416037.db2.gz LXZOBRMFHFXMAG-DYESRHJHSA-N 2 0 324.443 3.925 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000195138105 1035416242 /nfs/dbraw/zinc/41/62/42/1035416242.db2.gz DNMPEGNOXTWWNG-AEFFLSMTSA-N 2 0 312.432 3.998 20 0 DHADRP CC(C)(C[NH3+])C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000904444424 1035416365 /nfs/dbraw/zinc/41/63/65/1035416365.db2.gz QDKHHQJBWBUMJV-UHFFFAOYSA-N 2 0 307.507 3.608 20 0 DHADRP Cc1cc(F)ccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001179015678 1035461293 /nfs/dbraw/zinc/46/12/93/1035461293.db2.gz IUZBBPFMMNASCV-QUCCMNQESA-N 2 0 312.432 3.569 20 0 DHADRP CC[N@H+](CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC001179091711 1035464715 /nfs/dbraw/zinc/46/47/15/1035464715.db2.gz XDBNMMRFVXTDNP-GUDVDZBRSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H]1SCC[C@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001179086880 1035464868 /nfs/dbraw/zinc/46/48/68/1035464868.db2.gz WIGQUYVETDELLW-DOTOQJQBSA-N 2 0 306.519 3.628 20 0 DHADRP CC[C@H](C)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001179104746 1035465703 /nfs/dbraw/zinc/46/57/03/1035465703.db2.gz AKPRNVJSYRATFD-HNNXBMFYSA-N 2 0 323.912 3.618 20 0 DHADRP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001179259105 1035471086 /nfs/dbraw/zinc/47/10/86/1035471086.db2.gz QPNZWIUIMFMGBI-INIZCTEOSA-N 2 0 306.881 3.860 20 0 DHADRP c1cc(OCC2CC2)ccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC001179316315 1035474223 /nfs/dbraw/zinc/47/42/23/1035474223.db2.gz SPBIVGIZPLSMSL-IBGZPJMESA-N 2 0 314.473 3.582 20 0 DHADRP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001179878427 1035528581 /nfs/dbraw/zinc/52/85/81/1035528581.db2.gz QAPCTJDNJWJKDX-VQTJNVASSA-N 2 0 300.490 3.905 20 0 DHADRP Cc1ccc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000485312971 1035541023 /nfs/dbraw/zinc/54/10/23/1035541023.db2.gz DADUCQGOVSWSTJ-PKOBYXMFSA-N 2 0 318.530 3.812 20 0 DHADRP Cc1ccc([C@H](CC(F)(F)F)[NH2+]CCCn2ccnc2)cc1 ZINC001193071671 1035549047 /nfs/dbraw/zinc/54/90/47/1035549047.db2.gz YCQFFWWUCQLVDS-HNNXBMFYSA-N 2 0 311.351 3.865 20 0 DHADRP Cc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1Cl ZINC000195436461 1035568229 /nfs/dbraw/zinc/56/82/29/1035568229.db2.gz CBLLNEQFYPXUGG-UHFFFAOYSA-N 2 0 302.849 4.000 20 0 DHADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000494489716 1035603271 /nfs/dbraw/zinc/60/32/71/1035603271.db2.gz DWZHABNFNLEAPG-JCHJZTRSSA-N 2 0 308.510 3.577 20 0 DHADRP CCOc1cc(F)cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001180166470 1035617244 /nfs/dbraw/zinc/61/72/44/1035617244.db2.gz PPECRCBUDBTMJK-UHFFFAOYSA-N 2 0 322.468 3.777 20 0 DHADRP CC[NH+]1CCC(C[NH+]2CCC(Cc3ccc(C)cc3)CC2)CC1 ZINC001180310665 1035641491 /nfs/dbraw/zinc/64/14/91/1035641491.db2.gz NWGUVAXCWTZMPP-UHFFFAOYSA-N 2 0 314.517 3.981 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190956554 1035646195 /nfs/dbraw/zinc/64/61/95/1035646195.db2.gz LEYWTOWFFDHSGE-LJQANCHMSA-N 2 0 316.489 3.685 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191311692 1035677426 /nfs/dbraw/zinc/67/74/26/1035677426.db2.gz RRYHTLDVNUEWGP-OAHLLOKOSA-N 2 0 320.525 3.719 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)[C@H](C)C1 ZINC000191396874 1035688675 /nfs/dbraw/zinc/68/86/75/1035688675.db2.gz QYELLOAZGUVPFX-OXQOHEQNSA-N 2 0 316.489 3.638 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205638811 1035704147 /nfs/dbraw/zinc/70/41/47/1035704147.db2.gz SEMYDMKIZOHDBM-WDEREUQCSA-N 2 0 319.251 3.939 20 0 DHADRP CCc1ccc(CC[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000535573921 1035705305 /nfs/dbraw/zinc/70/53/05/1035705305.db2.gz DOYDMUHEAIAEFB-UHFFFAOYSA-N 2 0 309.457 3.763 20 0 DHADRP Fc1ccccc1CC[N@H+](CCCn1ccnc1)C1CCCC1 ZINC000539449658 1035734825 /nfs/dbraw/zinc/73/48/25/1035734825.db2.gz WGOKLLJQVDNDTD-UHFFFAOYSA-N 2 0 315.436 3.900 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1(CC)CC ZINC000539497108 1035754242 /nfs/dbraw/zinc/75/42/42/1035754242.db2.gz QHIKCCSZRYDPFI-FGTMMUONSA-N 2 0 310.526 3.680 20 0 DHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000192795880 1035819480 /nfs/dbraw/zinc/81/94/80/1035819480.db2.gz YDIQQSBQYHRRBN-RBUKOAKNSA-N 2 0 323.569 3.597 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000192931559 1035826659 /nfs/dbraw/zinc/82/66/59/1035826659.db2.gz GJNICOHQCUYQSQ-WMZOPIPTSA-N 2 0 318.530 3.630 20 0 DHADRP Cc1cccc(CCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000539790899 1035858344 /nfs/dbraw/zinc/85/83/44/1035858344.db2.gz HUYQECKXUMWJOK-UHFFFAOYSA-N 2 0 302.506 3.980 20 0 DHADRP c1ccc2c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccnc2c1 ZINC000539821230 1035876284 /nfs/dbraw/zinc/87/62/84/1035876284.db2.gz LRUMTCAADZOHNM-GOSISDBHSA-N 2 0 309.457 3.685 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1F ZINC000485697951 1035889015 /nfs/dbraw/zinc/88/90/15/1035889015.db2.gz UHNAGITVYSKCQJ-UHFFFAOYSA-N 2 0 324.802 3.970 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000669847130 1035912913 /nfs/dbraw/zinc/91/29/13/1035912913.db2.gz YRDYSORTLIWQDL-AWEZNQCLSA-N 2 0 310.432 3.607 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC001181472879 1035921755 /nfs/dbraw/zinc/92/17/55/1035921755.db2.gz VPOFWJMPTZRYOM-HJOIGYKYSA-N 2 0 304.503 3.630 20 0 DHADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3c(cccc3O)s2)C1 ZINC001181534521 1035933829 /nfs/dbraw/zinc/93/38/29/1035933829.db2.gz MDFKLABJRNGWIJ-CZUORRHYSA-N 2 0 316.470 3.523 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CC2(OC)CCC2)CC1)CC(C)C ZINC001181515983 1035939178 /nfs/dbraw/zinc/93/91/78/1035939178.db2.gz ZDXMWQHYLRCGPX-UHFFFAOYSA-N 2 0 310.526 3.636 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000540151059 1035985415 /nfs/dbraw/zinc/98/54/15/1035985415.db2.gz MYBIKDRLDXZGSM-BEFAXECRSA-N 2 0 304.453 3.771 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000540259590 1036025664 /nfs/dbraw/zinc/02/56/64/1036025664.db2.gz SAOCTDIUVXAUIX-HNAYVOBHSA-N 2 0 304.453 3.988 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000194919485 1036062114 /nfs/dbraw/zinc/06/21/14/1036062114.db2.gz MAMTXQIFDUVWJT-GOSISDBHSA-N 2 0 302.462 3.535 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000227328048 1036073242 /nfs/dbraw/zinc/07/32/42/1036073242.db2.gz XFWPEWIPIQJBOC-UHFFFAOYSA-N 2 0 306.837 3.908 20 0 DHADRP CCOc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000494930750 1036119880 /nfs/dbraw/zinc/11/98/80/1036119880.db2.gz PIECUTXIMNHTDC-KRWDZBQOSA-N 2 0 320.452 3.675 20 0 DHADRP C(=C/c1ccncc1)\CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000494944437 1036134322 /nfs/dbraw/zinc/13/43/22/1036134322.db2.gz BJIUNEPZEYRUGU-CYXJOQHWSA-N 2 0 313.489 3.683 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000495019351 1036189744 /nfs/dbraw/zinc/18/97/44/1036189744.db2.gz PURNEVIUFWYHDX-FXUDXRNXSA-N 2 0 300.437 3.664 20 0 DHADRP Clc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250194065 1036253343 /nfs/dbraw/zinc/25/33/43/1036253343.db2.gz LXQBBCMQFDVRLK-GRAKBVBRSA-N 2 0 304.865 3.802 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c3ncccc3c2)C1 ZINC000541536376 1036352004 /nfs/dbraw/zinc/35/20/04/1036352004.db2.gz QKXNDZINCPXVJN-KRWDZBQOSA-N 2 0 311.473 3.707 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486686050 1036361014 /nfs/dbraw/zinc/36/10/14/1036361014.db2.gz GECYTEXYNBSWGM-AWEZNQCLSA-N 2 0 303.425 3.661 20 0 DHADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000541588172 1036381459 /nfs/dbraw/zinc/38/14/59/1036381459.db2.gz UTGKZFYUCSKXOO-ICSRJNTNSA-N 2 0 300.490 3.673 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C/C=C\c2ccncc2)c1 ZINC000486926330 1036465595 /nfs/dbraw/zinc/46/55/95/1036465595.db2.gz IOVMCSCAZLSYEF-TWGQIWQCSA-N 2 0 309.457 3.726 20 0 DHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000486975926 1036493585 /nfs/dbraw/zinc/49/35/85/1036493585.db2.gz YAIRSYCFKZPUNP-LPHOPBHVSA-N 2 0 318.530 3.904 20 0 DHADRP CCCN1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046634 1036507587 /nfs/dbraw/zinc/50/75/87/1036507587.db2.gz YIFCXPBQIDVVAB-RFQIPJPRSA-N 2 0 312.910 3.967 20 0 DHADRP C[C@@H](CC[NH2+]CCCc1c(Cl)cccc1Cl)[NH+](C)C ZINC001183105202 1036523130 /nfs/dbraw/zinc/52/31/30/1036523130.db2.gz ZYWOEFPIKODYIR-LBPRGKRZSA-N 2 0 303.277 3.856 20 0 DHADRP C[NH+]1CCC(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001183371190 1036585520 /nfs/dbraw/zinc/58/55/20/1036585520.db2.gz OZTSWHYEVCSPBQ-UHFFFAOYSA-N 2 0 320.908 3.936 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C12CCCC2 ZINC001183407718 1036586891 /nfs/dbraw/zinc/58/68/91/1036586891.db2.gz FXJATMWNPMHZTD-JDEYZFBPSA-N 2 0 308.510 3.577 20 0 DHADRP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@H]3CCSC3)c2)CC1 ZINC000487266293 1036619134 /nfs/dbraw/zinc/61/91/34/1036619134.db2.gz AFBVLQCUBHNSTL-LJQANCHMSA-N 2 0 318.530 3.761 20 0 DHADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000487261897 1036619184 /nfs/dbraw/zinc/61/91/84/1036619184.db2.gz JXAJBPKPFRLWBV-KRWDZBQOSA-N 2 0 318.530 3.905 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC1(C)C ZINC000487273884 1036630582 /nfs/dbraw/zinc/63/05/82/1036630582.db2.gz NTKKRMSGQUIRLN-YTQUADARSA-N 2 0 300.490 3.575 20 0 DHADRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCCOC(C)(C)C)CC1 ZINC001196936493 1036652454 /nfs/dbraw/zinc/65/24/54/1036652454.db2.gz TUHOBCDQGLZMDO-GOSISDBHSA-N 2 0 310.526 3.778 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccncc2)CCN1Cc1ccccc1 ZINC000487304911 1036655235 /nfs/dbraw/zinc/65/52/35/1036655235.db2.gz BCYDOAXNNSYKDX-BSPJPZBESA-N 2 0 321.468 3.738 20 0 DHADRP Cc1ccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)nc1Cl ZINC001197193464 1036703792 /nfs/dbraw/zinc/70/37/92/1036703792.db2.gz BJRLHYBREVKAFC-UHFFFAOYSA-N 2 0 323.912 3.843 20 0 DHADRP Fc1ccc([C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1F ZINC000629550519 1036729351 /nfs/dbraw/zinc/72/93/51/1036729351.db2.gz OBCXDZXBSFGWNQ-MRXNPFEDSA-N 2 0 308.416 3.534 20 0 DHADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)c1ccccc1 ZINC001184291163 1036806220 /nfs/dbraw/zinc/80/62/20/1036806220.db2.gz PTROJEHOTUOLAW-MDNKFWRPSA-N 2 0 300.490 3.842 20 0 DHADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)c1ccccc1 ZINC001184291162 1036808176 /nfs/dbraw/zinc/80/81/76/1036808176.db2.gz PTROJEHOTUOLAW-GTAWCEEGSA-N 2 0 300.490 3.842 20 0 DHADRP CC[NH+](CC)CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC001184339706 1036819267 /nfs/dbraw/zinc/81/92/67/1036819267.db2.gz RTUCSZKEIXIPSG-GGPKGHCWSA-N 2 0 318.505 3.864 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001168492335 1036872431 /nfs/dbraw/zinc/87/24/31/1036872431.db2.gz QPOKQORWRNXSOR-MRXNPFEDSA-N 2 0 318.480 3.811 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(O)cc2)CC1 ZINC000236761687 1036980176 /nfs/dbraw/zinc/98/01/76/1036980176.db2.gz BQJZZGQWRLLACJ-MRXNPFEDSA-N 2 0 304.478 3.567 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000237308434 1037000207 /nfs/dbraw/zinc/00/02/07/1037000207.db2.gz HWIVTOABVMCRAW-KRWDZBQOSA-N 2 0 318.505 3.958 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)CC1(C)C ZINC001198952141 1037170278 /nfs/dbraw/zinc/17/02/78/1037170278.db2.gz AUTSTUFIJJIRPA-CQSZACIVSA-N 2 0 315.288 3.998 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000309761535 1037178983 /nfs/dbraw/zinc/17/89/83/1037178983.db2.gz DTMMDIWOVIJOEQ-BWPNAZKDSA-N 2 0 300.490 3.923 20 0 DHADRP COc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc2ccccc21 ZINC001199038691 1037187125 /nfs/dbraw/zinc/18/71/25/1037187125.db2.gz XCWXIMBEULTBJL-UHFFFAOYSA-N 2 0 312.457 3.814 20 0 DHADRP FCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309983928 1037200855 /nfs/dbraw/zinc/20/08/55/1037200855.db2.gz WLDDBIOBTUKLHL-RTBURBONSA-N 2 0 304.453 3.580 20 0 DHADRP c1ccc2c(c1)-c1ccccc1C2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000322373403 1037201611 /nfs/dbraw/zinc/20/16/11/1037201611.db2.gz LGKGARLCIIVRPW-JKSUJKDBSA-N 2 0 304.437 3.973 20 0 DHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000924842729 1037234930 /nfs/dbraw/zinc/23/49/30/1037234930.db2.gz HWUXHYRLJMTNKN-QZTJIDSGSA-N 2 0 320.521 3.719 20 0 DHADRP Cc1cnccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2cccc(F)c2)C1 ZINC001168501212 1037236806 /nfs/dbraw/zinc/23/68/06/1037236806.db2.gz PZQNKGMZCLQIKZ-QAPCUYQASA-N 2 0 314.404 3.613 20 0 DHADRP Fc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355559 1037270836 /nfs/dbraw/zinc/27/08/36/1037270836.db2.gz JTRXBWFXAOSCTJ-LJQANCHMSA-N 2 0 302.437 3.525 20 0 DHADRP CNc1ccc(C)cc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001199700409 1037321778 /nfs/dbraw/zinc/32/17/78/1037321778.db2.gz GYQNKFZWZULKSA-UHFFFAOYSA-N 2 0 324.403 3.651 20 0 DHADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001199699865 1037322703 /nfs/dbraw/zinc/32/27/03/1037322703.db2.gz ABRCLXLQONUPAN-CZUORRHYSA-N 2 0 301.409 3.926 20 0 DHADRP Cc1cn2c(C[NH2+]CCCCCCC[NH+](C)C)c(C)nc2s1 ZINC001199830384 1037343132 /nfs/dbraw/zinc/34/31/32/1037343132.db2.gz KNGLBBGSMBZLAJ-UHFFFAOYSA-N 2 0 322.522 3.614 20 0 DHADRP CC(C)C1CC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397625449 1037439401 /nfs/dbraw/zinc/43/94/01/1037439401.db2.gz KNESRDQCTMXESD-UHFFFAOYSA-N 2 0 300.490 3.923 20 0 DHADRP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000398148538 1037595069 /nfs/dbraw/zinc/59/50/69/1037595069.db2.gz OQQABTFQDJXIJT-FUHWJXTLSA-N 2 0 318.530 3.772 20 0 DHADRP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CC1CCCCC1 ZINC001201417753 1037659594 /nfs/dbraw/zinc/65/95/94/1037659594.db2.gz ZQZQEOYTLRYCKX-DBVUQKKJSA-N 2 0 322.537 3.560 20 0 DHADRP COCC(C)(C)C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000494177754 1037660601 /nfs/dbraw/zinc/66/06/01/1037660601.db2.gz ZOXAUUVNIHGCDV-PKOBYXMFSA-N 2 0 318.505 3.549 20 0 DHADRP CC(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201447964 1037700365 /nfs/dbraw/zinc/70/03/65/1037700365.db2.gz WBYNEIDGQJGKGA-RTBURBONSA-N 2 0 300.490 3.877 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183726710 1037703785 /nfs/dbraw/zinc/70/37/85/1037703785.db2.gz ZQLCTYGSVGJFFC-PFSRBDOWSA-N 2 0 306.416 3.818 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000715285145 1037736431 /nfs/dbraw/zinc/73/64/31/1037736431.db2.gz QDIHYOCZBKBCDB-UHFFFAOYSA-N 2 0 315.288 3.998 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ncc(C(F)(F)F)cc1Cl ZINC000924855486 1037762412 /nfs/dbraw/zinc/76/24/12/1037762412.db2.gz QXJGRTOJKFVACH-JTQLQIEISA-N 2 0 323.790 3.746 20 0 DHADRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCc4ccccc4)C[C@@H]3C2)cc1 ZINC001201597037 1037771268 /nfs/dbraw/zinc/77/12/68/1037771268.db2.gz RETMQRFADQKEHQ-FGZHOGPDSA-N 2 0 320.480 3.601 20 0 DHADRP C[N@H+](CCc1ccccc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001201609630 1037811605 /nfs/dbraw/zinc/81/16/05/1037811605.db2.gz JBRVWLVOPDCPPS-UHFFFAOYSA-N 2 0 300.490 3.958 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518911 1037812309 /nfs/dbraw/zinc/81/23/09/1037812309.db2.gz JESSWPLEZJCMTL-SLTAFYQDSA-N 2 0 306.416 3.629 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3cc4ccccc4s3)cc[nH+]2)CC1 ZINC001201651624 1037836280 /nfs/dbraw/zinc/83/62/80/1037836280.db2.gz YHTBOUXULRLACG-UHFFFAOYSA-N 2 0 324.453 3.792 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3cccc(C(F)F)c3)cc[nH+]2)CC1 ZINC001201658689 1037839103 /nfs/dbraw/zinc/83/91/03/1037839103.db2.gz HCPXQJDHCFNRCL-UHFFFAOYSA-N 2 0 318.371 3.515 20 0 DHADRP Cc1cccc(Cl)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201658536 1037840958 /nfs/dbraw/zinc/84/09/58/1037840958.db2.gz DQIJKWFEZIAIOC-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP CCCCC[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001201731922 1037887256 /nfs/dbraw/zinc/88/72/56/1037887256.db2.gz YFZLUDZXXUGZOY-UHFFFAOYSA-N 2 0 315.505 3.948 20 0 DHADRP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186316147 1037888999 /nfs/dbraw/zinc/88/89/99/1037888999.db2.gz ZZCSFZQCWSHZIG-XLIONFOSSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H](CCC1CC1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186316193 1037891064 /nfs/dbraw/zinc/89/10/64/1037891064.db2.gz ZZCSFZQCWSHZIG-YLJYHZDGSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186316169 1037891790 /nfs/dbraw/zinc/89/17/90/1037891790.db2.gz ZZCSFZQCWSHZIG-FXAWDEMLSA-N 2 0 300.490 3.719 20 0 DHADRP CCCCC[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001201734457 1037892197 /nfs/dbraw/zinc/89/21/97/1037892197.db2.gz AMBBBWGRWIFMNQ-UHFFFAOYSA-N 2 0 301.478 3.560 20 0 DHADRP COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000124474792 1037902008 /nfs/dbraw/zinc/90/20/08/1037902008.db2.gz QAUBVSRSCBODEJ-HNNXBMFYSA-N 2 0 324.896 3.567 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186603239 1037918461 /nfs/dbraw/zinc/91/84/61/1037918461.db2.gz KEOBUBYEPUHLMP-SLTAFYQDSA-N 2 0 306.416 3.677 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186603221 1037919528 /nfs/dbraw/zinc/91/95/28/1037919528.db2.gz KEOBUBYEPUHLMP-SHARSMKWSA-N 2 0 306.416 3.677 20 0 DHADRP Cc1nccn1CCCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000125474094 1037938760 /nfs/dbraw/zinc/93/87/60/1037938760.db2.gz XKVNHYTXSNSEJI-UHFFFAOYSA-N 2 0 319.399 3.915 20 0 DHADRP C[NH+](C)CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000125861957 1037971547 /nfs/dbraw/zinc/97/15/47/1037971547.db2.gz XXJGEHDJYWHELI-IBGZPJMESA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)(C)CC[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001202079152 1038019004 /nfs/dbraw/zinc/01/90/04/1038019004.db2.gz XRGYJQWJUPILGX-UHFFFAOYSA-N 2 0 315.505 3.806 20 0 DHADRP CCCc1csc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000494378939 1038082369 /nfs/dbraw/zinc/08/23/69/1038082369.db2.gz UIEGAQKMCGSLOR-OAHLLOKOSA-N 2 0 309.523 3.840 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494456739 1038107638 /nfs/dbraw/zinc/10/76/38/1038107638.db2.gz YBONHWOZUKALCD-SQNIBIBYSA-N 2 0 322.880 3.634 20 0 DHADRP Cc1cccc(OCCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1C ZINC000494486739 1038121089 /nfs/dbraw/zinc/12/10/89/1038121089.db2.gz PJPRQRVSYJKYDX-UHFFFAOYSA-N 2 0 318.505 3.925 20 0 DHADRP C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc(Br)cc1F ZINC000127054746 1038144086 /nfs/dbraw/zinc/14/40/86/1038144086.db2.gz SVGDKEYRLGLHOL-GHMZBOCLSA-N 2 0 317.246 3.579 20 0 DHADRP Fc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)cc1 ZINC000157407930 1038328525 /nfs/dbraw/zinc/32/85/25/1038328525.db2.gz CDYKGUATBCVRNH-LJQANCHMSA-N 2 0 302.437 3.741 20 0 DHADRP CC[C@H](C)[N@@H+](CCc1ccccc1F)CC[C@@H]1CCC[NH+]1C ZINC001190626749 1038359700 /nfs/dbraw/zinc/35/97/00/1038359700.db2.gz CEUJTKGXKNUERE-WMZOPIPTSA-N 2 0 306.469 3.953 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC)cc1 ZINC000157671518 1038417756 /nfs/dbraw/zinc/41/77/56/1038417756.db2.gz DLPOTTBGGPQXMN-LJQANCHMSA-N 2 0 302.462 3.610 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000589348031 1038468014 /nfs/dbraw/zinc/46/80/14/1038468014.db2.gz GBYPECXTCCIOLS-HNNXBMFYSA-N 2 0 322.518 3.563 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC2C[C@@H](C)C[C@H](C)C2)C1 ZINC001191454743 1038511380 /nfs/dbraw/zinc/51/13/80/1038511380.db2.gz QSTJXBMNYSMBIS-CMKODMSKSA-N 2 0 324.553 3.882 20 0 DHADRP CCSc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001191521411 1038513569 /nfs/dbraw/zinc/51/35/69/1038513569.db2.gz QKYZKQNCTVSQRH-DOTOQJQBSA-N 2 0 304.503 3.715 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000572858318 1038515030 /nfs/dbraw/zinc/51/50/30/1038515030.db2.gz ZXKLTTAPTVVRKL-NAYJHWTMSA-N 2 0 312.501 3.921 20 0 DHADRP CC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000590301635 1038619599 /nfs/dbraw/zinc/61/95/99/1038619599.db2.gz ZGNQPGCTZOCFAZ-UHFFFAOYSA-N 2 0 316.489 3.974 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000590786316 1038706611 /nfs/dbraw/zinc/70/66/11/1038706611.db2.gz QDMAFGMPCUIORT-MJGOQNOKSA-N 2 0 310.526 3.634 20 0 DHADRP CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000573167641 1038830724 /nfs/dbraw/zinc/83/07/24/1038830724.db2.gz RWFMTFPIIIBMAH-QFBILLFUSA-N 2 0 312.461 3.976 20 0 DHADRP CCC(CC)[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413798 1038860228 /nfs/dbraw/zinc/86/02/28/1038860228.db2.gz AUEFSJHRWUPXFY-LJQANCHMSA-N 2 0 318.480 3.926 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cn2ccccc2n1 ZINC000573386333 1038931085 /nfs/dbraw/zinc/93/10/85/1038931085.db2.gz ZWDFWDJOIRTPQK-SJORKVTESA-N 2 0 314.477 3.640 20 0 DHADRP COc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1F ZINC000669679781 1038971424 /nfs/dbraw/zinc/97/14/24/1038971424.db2.gz PMYUDDQSFPJGMO-HZPDHXFCSA-N 2 0 322.468 3.682 20 0 DHADRP COc1cccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1F ZINC000669683090 1038997508 /nfs/dbraw/zinc/99/75/08/1038997508.db2.gz MMNDMBOBSIIENC-UHFFFAOYSA-N 2 0 322.468 3.682 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCCCF)C2)s1 ZINC000573972463 1039190602 /nfs/dbraw/zinc/19/06/02/1039190602.db2.gz MFXMHDZHVIBYMN-MRXNPFEDSA-N 2 0 312.498 3.950 20 0 DHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1O2 ZINC000573982833 1039191062 /nfs/dbraw/zinc/19/10/62/1039191062.db2.gz WEJGOSRNJXDVLC-KRWDZBQOSA-N 2 0 314.473 3.753 20 0 DHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000574054147 1039396913 /nfs/dbraw/zinc/39/69/13/1039396913.db2.gz UMWLRZXMUNDPMY-LSDHHAIUSA-N 2 0 314.395 3.843 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232443608 1039472060 /nfs/dbraw/zinc/47/20/60/1039472060.db2.gz DXYFZFQZYYSXQE-UHFFFAOYSA-N 2 0 318.383 3.851 20 0 DHADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168417940 1039477120 /nfs/dbraw/zinc/47/71/20/1039477120.db2.gz UOBCAGRHSOGQTP-GUDVDZBRSA-N 2 0 304.453 3.663 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000574391345 1039642762 /nfs/dbraw/zinc/64/27/62/1039642762.db2.gz WYRVKVZCFQUSKS-LBPRGKRZSA-N 2 0 319.449 3.599 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168405666 1039912401 /nfs/dbraw/zinc/91/24/01/1039912401.db2.gz TVLAFNCIQNBBKV-DNVCBOLYSA-N 2 0 304.453 3.537 20 0 DHADRP c1ccc2cc(CC[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000606903211 1040030888 /nfs/dbraw/zinc/03/08/88/1040030888.db2.gz ZPXZKAGHIWTKFV-IBGZPJMESA-N 2 0 308.469 3.800 20 0 DHADRP C[C@H](CSCCF)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595035592 1040041358 /nfs/dbraw/zinc/04/13/58/1040041358.db2.gz XVDNDWPROYHFIT-JFIYKMOQSA-N 2 0 324.509 3.578 20 0 DHADRP COC(C)(C)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000575049950 1040121121 /nfs/dbraw/zinc/12/11/21/1040121121.db2.gz VKUMYKPWWLXXGT-INIZCTEOSA-N 2 0 324.534 3.625 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC1(C)C ZINC000623494586 1040895744 /nfs/dbraw/zinc/89/57/44/1040895744.db2.gz VPVZAKXNLSBLGA-IBGZPJMESA-N 2 0 309.457 3.711 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000236823375 202027050 /nfs/dbraw/zinc/02/70/50/202027050.db2.gz HKQDYKHQNXDWCZ-FQEVSTJZSA-N 2 0 324.468 3.697 20 0 DHADRP C[N@@H+](Cc1nc(-c2ccccc2)cs1)CC1CC[NH+](C)CC1 ZINC000093088941 193201792 /nfs/dbraw/zinc/20/17/92/193201792.db2.gz NERXIOGISPMMOF-UHFFFAOYSA-N 2 0 315.486 3.584 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000093403534 193244797 /nfs/dbraw/zinc/24/47/97/193244797.db2.gz IDNBARLXIGUZTP-CYBMUJFWSA-N 2 0 321.515 3.767 20 0 DHADRP CC[C@H](c1ccc(Br)cc1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338746 335014220 /nfs/dbraw/zinc/01/42/20/335014220.db2.gz CIKGSJGJVUJADH-BYCMXARLSA-N 2 0 311.267 3.569 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000020022900 182179512 /nfs/dbraw/zinc/17/95/12/182179512.db2.gz QMRQLMPWKMEAIM-LBPRGKRZSA-N 2 0 300.393 3.526 20 0 DHADRP c1ccc(OCCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000525865403 335035035 /nfs/dbraw/zinc/03/50/35/335035035.db2.gz FCBTUSYSDFAHBW-UHFFFAOYSA-N 2 0 316.489 3.653 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626388 184179020 /nfs/dbraw/zinc/17/90/20/184179020.db2.gz WLFIZUGMKVNTTK-XUJVJEKNSA-N 2 0 300.368 3.524 20 0 DHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCCSC2)C3)cc1 ZINC000272409324 130027555 /nfs/dbraw/zinc/02/75/55/130027555.db2.gz KXXOJEKKSSEGMJ-AKHDSKFASA-N 2 0 316.514 3.667 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC(c2ncc[nH]2)CC1 ZINC000274126943 130207947 /nfs/dbraw/zinc/20/79/47/130207947.db2.gz DFOAQHCTMQLBBJ-UHFFFAOYSA-N 2 0 306.413 3.959 20 0 DHADRP CC(C)[NH+](CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340182815 131011054 /nfs/dbraw/zinc/01/10/54/131011054.db2.gz SIEWNWMMMYPQOS-PMACEKPBSA-N 2 0 317.521 3.530 20 0 DHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000284443719 131082065 /nfs/dbraw/zinc/08/20/65/131082065.db2.gz SZDKORBXKYMUOA-LJQANCHMSA-N 2 0 314.473 3.582 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000287070045 131262496 /nfs/dbraw/zinc/26/24/96/131262496.db2.gz OAJGIJMHVFAKHA-NZSAHSFTSA-N 2 0 318.530 3.630 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000287070035 131262507 /nfs/dbraw/zinc/26/25/07/131262507.db2.gz OAJGIJMHVFAKHA-NEWSRXKRSA-N 2 0 318.530 3.630 20 0 DHADRP Cc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(C)c1O ZINC000289373728 131379849 /nfs/dbraw/zinc/37/98/49/131379849.db2.gz AQSHBARGGXFNCN-UHFFFAOYSA-N 2 0 302.462 3.506 20 0 DHADRP Clc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000366661595 131399530 /nfs/dbraw/zinc/39/95/30/131399530.db2.gz DFSTWUDCDJORPA-DKIMLUQUSA-N 2 0 304.865 3.802 20 0 DHADRP C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000297275626 132007287 /nfs/dbraw/zinc/00/72/87/132007287.db2.gz KZCXVWJXUGYWNL-AWEZNQCLSA-N 2 0 314.420 3.713 20 0 DHADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccsc1 ZINC000297694958 132029099 /nfs/dbraw/zinc/02/90/99/132029099.db2.gz MCQDVOIQFLWGEZ-KRWDZBQOSA-N 2 0 318.486 3.929 20 0 DHADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298242650 132052184 /nfs/dbraw/zinc/05/21/84/132052184.db2.gz CMJLTNYYMDPMKE-HXUWFJFHSA-N 2 0 307.441 3.636 20 0 DHADRP CC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000298507489 132065833 /nfs/dbraw/zinc/06/58/33/132065833.db2.gz QSSKLIMYFJEHFD-KRWDZBQOSA-N 2 0 309.457 3.834 20 0 DHADRP c1sc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1-c1ccccc1 ZINC000121479053 132156321 /nfs/dbraw/zinc/15/63/21/132156321.db2.gz AAAPDSLEEIQKFH-OAHLLOKOSA-N 2 0 312.482 3.989 20 0 DHADRP C[N@H+](CCSCC[C@@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC000340703407 132165022 /nfs/dbraw/zinc/16/50/22/132165022.db2.gz DJUFLBAANOKRRL-SFHVURJKSA-N 2 0 306.519 3.726 20 0 DHADRP C[N@H+](CCSCC[C@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC000340703402 132165416 /nfs/dbraw/zinc/16/54/16/132165416.db2.gz DJUFLBAANOKRRL-GOSISDBHSA-N 2 0 306.519 3.726 20 0 DHADRP Cc1ccc([C@@H](CNc2nc3ccccc3n2C)[NH+](C)C)cc1 ZINC000534244330 435272536 /nfs/dbraw/zinc/27/25/36/435272536.db2.gz CSBPPGADALTAPZ-GOSISDBHSA-N 2 0 308.429 3.597 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000570826327 332824523 /nfs/dbraw/zinc/82/45/23/332824523.db2.gz AGPUYLQTRHUVKS-IOASZLSFSA-N 2 0 310.388 3.525 20 0 DHADRP Clc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000071307509 331666798 /nfs/dbraw/zinc/66/67/98/331666798.db2.gz QIEZPNMTWXQCFU-UHFFFAOYSA-N 2 0 307.850 3.555 20 0 DHADRP COc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000518267925 332003249 /nfs/dbraw/zinc/00/32/49/332003249.db2.gz XHNLPPPGMAEXQM-UHFFFAOYSA-N 2 0 324.896 3.950 20 0 DHADRP CC(C)COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000518271224 332004135 /nfs/dbraw/zinc/00/41/35/332004135.db2.gz NXDFNSWZACVNPU-UHFFFAOYSA-N 2 0 304.478 3.687 20 0 DHADRP [NH3+]C[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000410075136 332086137 /nfs/dbraw/zinc/08/61/37/332086137.db2.gz PPZKAOCYZSFIPO-CTNGQTDRSA-N 2 0 324.468 3.520 20 0 DHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000093770055 332142189 /nfs/dbraw/zinc/14/21/89/332142189.db2.gz KFKGPKQQCUTKRI-KRWDZBQOSA-N 2 0 312.457 3.622 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000363758246 332241752 /nfs/dbraw/zinc/24/17/52/332241752.db2.gz GVMSTIJDUFJVTI-IEBWSBKVSA-N 2 0 322.537 3.562 20 0 DHADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000537971957 332252957 /nfs/dbraw/zinc/25/29/57/332252957.db2.gz ODNGHNJMUBWZFZ-QRVBRYPASA-N 2 0 318.505 3.843 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCOCC1 ZINC000559616657 332274303 /nfs/dbraw/zinc/27/43/03/332274303.db2.gz KCECJSMLTNORNB-MOPGFXCFSA-N 2 0 308.510 3.578 20 0 DHADRP CN1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000559855912 332285817 /nfs/dbraw/zinc/28/58/17/332285817.db2.gz RFOUGADOKIJXGF-GYTBAZASSA-N 2 0 312.379 3.752 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@@H]2CCC[C@@H]21 ZINC000559878514 332288623 /nfs/dbraw/zinc/28/86/23/332288623.db2.gz SUODTMPWGWONAK-ULQDDVLXSA-N 2 0 300.471 3.864 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000560236186 332321522 /nfs/dbraw/zinc/32/15/22/332321522.db2.gz FGZLDJHHBQKQRP-GXTWGEPZSA-N 2 0 300.899 3.654 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)[C@H]2CCC[C@H]21 ZINC000560528441 332352030 /nfs/dbraw/zinc/35/20/30/332352030.db2.gz FXYDPJFOEWNWLR-FHLIZLRMSA-N 2 0 304.453 3.566 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000560528762 332352052 /nfs/dbraw/zinc/35/20/52/332352052.db2.gz QURVBSBNIBULBI-UHFFFAOYSA-N 2 0 301.261 3.956 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000562019428 332533285 /nfs/dbraw/zinc/53/32/85/332533285.db2.gz KADSAGSNIHAISU-OALUTQOASA-N 2 0 316.489 3.685 20 0 DHADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261679125 332640493 /nfs/dbraw/zinc/64/04/93/332640493.db2.gz HVZRBHVIAPTABV-DFQSSKMNSA-N 2 0 311.473 3.611 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000569660612 332655473 /nfs/dbraw/zinc/65/54/73/332655473.db2.gz BVSVFOHVUQAUOH-FQEVSTJZSA-N 2 0 302.506 3.965 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000171980130 332664178 /nfs/dbraw/zinc/66/41/78/332664178.db2.gz CIPMLPGLGKRVIZ-QGZVFWFLSA-N 2 0 309.457 3.644 20 0 DHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Oc2cccnc2)cc1 ZINC000570227213 332729012 /nfs/dbraw/zinc/72/90/12/332729012.db2.gz ZFZCIAYFCHGLKI-XIRDDKMYSA-N 2 0 311.429 3.794 20 0 DHADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000105454605 332990293 /nfs/dbraw/zinc/99/02/93/332990293.db2.gz KBDVGDVBWKXGOD-UHFFFAOYSA-N 2 0 318.433 3.557 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000378870586 333058667 /nfs/dbraw/zinc/05/86/67/333058667.db2.gz MPZWQPWRBGOBCV-PXNSSMCTSA-N 2 0 324.468 3.577 20 0 DHADRP C[N@@H+]1CCC[C@@H](CNCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189179648 333065661 /nfs/dbraw/zinc/06/56/61/333065661.db2.gz USAWXFNFBREVGG-NSHDSACASA-N 2 0 320.786 3.790 20 0 DHADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000178447255 333138847 /nfs/dbraw/zinc/13/88/47/333138847.db2.gz BKQAPKUMDXTXIY-QGZVFWFLSA-N 2 0 304.478 3.577 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(CC(C)C)cc2)CC[NH+](C)CC1 ZINC000582092226 333210931 /nfs/dbraw/zinc/21/09/31/333210931.db2.gz HBIUZMWVNSQUTD-UHFFFAOYSA-N 2 0 320.546 3.802 20 0 DHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000319155628 333266761 /nfs/dbraw/zinc/26/67/61/333266761.db2.gz AHRREFBZDOFFHK-XEYPJELSSA-N 2 0 300.490 3.890 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000501783794 333279540 /nfs/dbraw/zinc/27/95/40/333279540.db2.gz AANZRIFJJYUGNA-UHFFFAOYSA-N 2 0 318.505 3.565 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000390540677 333295241 /nfs/dbraw/zinc/29/52/41/333295241.db2.gz HFFMNEWPQSDLCK-OAQYLSRUSA-N 2 0 308.469 3.902 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2cccc(Cl)c2)C[C@H]1C ZINC000531378375 333347276 /nfs/dbraw/zinc/34/72/76/333347276.db2.gz FBZXAOJFBLABCB-NVXWUHKLSA-N 2 0 324.896 3.914 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2cccc(Cl)c2)C[C@@H]1C ZINC000531378374 333347344 /nfs/dbraw/zinc/34/73/44/333347344.db2.gz FBZXAOJFBLABCB-DOTOQJQBSA-N 2 0 324.896 3.914 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382306 333347744 /nfs/dbraw/zinc/34/77/44/333347744.db2.gz SDRCQHPERKQPPH-AEFFLSMTSA-N 2 0 304.478 3.778 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000193035065 333357147 /nfs/dbraw/zinc/35/71/47/333357147.db2.gz RUBXLORHNTXXOT-FXAWDEMLSA-N 2 0 315.505 3.891 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000583456140 333357285 /nfs/dbraw/zinc/35/72/85/333357285.db2.gz UUZWQJSDSHNANY-CDHQVMDDSA-N 2 0 316.489 3.509 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)C1 ZINC000187023567 333384174 /nfs/dbraw/zinc/38/41/74/333384174.db2.gz BVRPCOOEWGGILA-DOTOQJQBSA-N 2 0 304.503 3.772 20 0 DHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000563137674 333396023 /nfs/dbraw/zinc/39/60/23/333396023.db2.gz ABVDZKYOFBAXGQ-ZFWWWQNUSA-N 2 0 314.395 3.697 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000063165821 333445990 /nfs/dbraw/zinc/44/59/90/333445990.db2.gz IWXKFLQLKOSSOC-UHFFFAOYSA-N 2 0 308.878 3.986 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000063158982 333445994 /nfs/dbraw/zinc/44/59/94/333445994.db2.gz MEHFQYZDVQMHFK-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCO1 ZINC000411514928 333686564 /nfs/dbraw/zinc/68/65/64/333686564.db2.gz GYCJULXKFYHVRF-WOJBJXKFSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000411540350 333690615 /nfs/dbraw/zinc/69/06/15/333690615.db2.gz VGWMSCDVZVWUFD-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414192298 333911533 /nfs/dbraw/zinc/91/15/33/333911533.db2.gz SWJPSDQXCJDGQV-OAHLLOKOSA-N 2 0 309.413 3.974 20 0 DHADRP Cc1cccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000269031849 333997673 /nfs/dbraw/zinc/99/76/73/333997673.db2.gz RZMKXYNPOZNMHX-KRWDZBQOSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC000414514702 334003782 /nfs/dbraw/zinc/00/37/82/334003782.db2.gz MDUDDFHYIMJOFB-LMMKCTJWSA-N 2 0 318.505 3.548 20 0 DHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CC3=CC[N@H+](C)CC3)oc21 ZINC000271820663 334027350 /nfs/dbraw/zinc/02/73/50/334027350.db2.gz CFYRUVRDZZKYBS-CQSZACIVSA-N 2 0 314.429 3.744 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000272501484 334035801 /nfs/dbraw/zinc/03/58/01/334035801.db2.gz DQNRYWISGLPOPE-KRWDZBQOSA-N 2 0 314.473 3.754 20 0 DHADRP [NH3+]C[C@@H]1CC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414660229 334060189 /nfs/dbraw/zinc/06/01/89/334060189.db2.gz UVNMKNDSIQJYDE-FDIFFNORSA-N 2 0 322.452 3.559 20 0 DHADRP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cc2)cc1 ZINC000414661289 334060451 /nfs/dbraw/zinc/06/04/51/334060451.db2.gz PKEFLKRWNJPJTB-DYESRHJHSA-N 2 0 324.468 3.743 20 0 DHADRP COc1ccc2cc(C[N@H+](C)C[C@@H]3CC[NH2+][C@H](C)C3)ccc2c1 ZINC000414674692 334065602 /nfs/dbraw/zinc/06/56/02/334065602.db2.gz FANMXKPYHNHCBF-NVXWUHKLSA-N 2 0 312.457 3.668 20 0 DHADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000414680697 334067711 /nfs/dbraw/zinc/06/77/11/334067711.db2.gz NRIRVQRYNMAOGQ-OLZOCXBDSA-N 2 0 300.368 3.525 20 0 DHADRP Cc1ccc(OC2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1C ZINC000414683327 334068178 /nfs/dbraw/zinc/06/81/78/334068178.db2.gz BFRKDEJEODLTCX-ROUUACIJSA-N 2 0 316.489 3.535 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414712047 334072836 /nfs/dbraw/zinc/07/28/36/334072836.db2.gz UFPQHNKQBCJPRC-AEGPPILISA-N 2 0 309.523 3.956 20 0 DHADRP c1ccc(C[N@@H+](CC2CCCCCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000414713108 334072947 /nfs/dbraw/zinc/07/29/47/334072947.db2.gz JZNLSHGYPULVPW-FQEVSTJZSA-N 2 0 315.505 3.996 20 0 DHADRP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)CC1CCC(C)CC1 ZINC000414733627 334075593 /nfs/dbraw/zinc/07/55/93/334075593.db2.gz VRDFJTOJUYLHPS-PREGVCBESA-N 2 0 321.534 3.689 20 0 DHADRP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781489 334093548 /nfs/dbraw/zinc/09/35/48/334093548.db2.gz MZZGQXMCMVRMHE-GJZGRUSLSA-N 2 0 322.880 3.560 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783789 334094429 /nfs/dbraw/zinc/09/44/29/334094429.db2.gz REPJLCKRFJAEJB-HOTGVXAUSA-N 2 0 312.379 3.683 20 0 DHADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(-c2ccncc2)c1 ZINC000414789214 334097009 /nfs/dbraw/zinc/09/70/09/334097009.db2.gz YAESVCQPLZQLSL-SFTDATJTSA-N 2 0 321.468 3.570 20 0 DHADRP CCC([NH3+])(CC)C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414802991 334102461 /nfs/dbraw/zinc/10/24/61/334102461.db2.gz CHIVZWHDILOAGL-GFCCVEGCSA-N 2 0 313.283 3.660 20 0 DHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414809897 334104731 /nfs/dbraw/zinc/10/47/31/334104731.db2.gz HGTSXHABYRFFDA-CABCVRRESA-N 2 0 300.421 3.956 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414822466 334108214 /nfs/dbraw/zinc/10/82/14/334108214.db2.gz ADPQTZOMGPBZLI-FXAWDEMLSA-N 2 0 324.468 3.743 20 0 DHADRP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414826769 334109077 /nfs/dbraw/zinc/10/90/77/334109077.db2.gz JNAASSXBSSFMLY-OAHLLOKOSA-N 2 0 300.471 3.813 20 0 DHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414840161 334112379 /nfs/dbraw/zinc/11/23/79/334112379.db2.gz XYUCCAKUDATMRD-MPBYHJMHSA-N 2 0 304.865 3.849 20 0 DHADRP FC(F)Oc1ccc2ccccc2c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414842812 334112987 /nfs/dbraw/zinc/11/29/87/334112987.db2.gz ZNZJUJQHWKFRHU-CYBMUJFWSA-N 2 0 320.383 3.530 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414844281 334113354 /nfs/dbraw/zinc/11/33/54/334113354.db2.gz KQMWTKRTWFTAJS-OWCLPIDISA-N 2 0 312.379 3.683 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414848306 334120861 /nfs/dbraw/zinc/12/08/61/334120861.db2.gz GLCBKELVNCZNQK-VQIMIIECSA-N 2 0 324.468 3.840 20 0 DHADRP c1ccc(COc2cccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)c2)cc1 ZINC000414848685 334121030 /nfs/dbraw/zinc/12/10/30/334121030.db2.gz KROUGMMQSHKSRO-GOSISDBHSA-N 2 0 324.468 3.745 20 0 DHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848900 334121762 /nfs/dbraw/zinc/12/17/62/334121762.db2.gz XOZKTSLQOJWRBO-VBNZEHGJSA-N 2 0 314.395 3.787 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000414859907 334132170 /nfs/dbraw/zinc/13/21/70/334132170.db2.gz UYCMQFHQOVRNAQ-PWSUYJOCSA-N 2 0 320.786 3.837 20 0 DHADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414894558 334159412 /nfs/dbraw/zinc/15/94/12/334159412.db2.gz TTYIGQCXMNSPIE-OAGGEKHMSA-N 2 0 312.379 3.668 20 0 DHADRP CC1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC000414904196 334167630 /nfs/dbraw/zinc/16/76/30/334167630.db2.gz NCDQWXUBZNTECV-RDJZCZTQSA-N 2 0 306.881 3.955 20 0 DHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415081496 334271922 /nfs/dbraw/zinc/27/19/22/334271922.db2.gz CFROTXOFUFPNDK-VKJFTORMSA-N 2 0 302.462 3.583 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC[NH2+]1 ZINC000414943972 334203370 /nfs/dbraw/zinc/20/33/70/334203370.db2.gz FZYMWDOHUKMWKC-IUODEOHRSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946004 334205159 /nfs/dbraw/zinc/20/51/59/334205159.db2.gz JDOCXQVVKUDOHT-IJLUTSLNSA-N 2 0 301.261 3.655 20 0 DHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000414949012 334206838 /nfs/dbraw/zinc/20/68/38/334206838.db2.gz ZIBBXRMAGAJSGW-HNAYVOBHSA-N 2 0 312.482 3.925 20 0 DHADRP C[C@H](C[NH2+]CC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415081987 334272882 /nfs/dbraw/zinc/27/28/82/334272882.db2.gz LNLYHTFMLUQNNE-LLVKDONJSA-N 2 0 301.261 3.686 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000414969086 334215336 /nfs/dbraw/zinc/21/53/36/334215336.db2.gz IPUTWXWMNNFUPY-MRXNPFEDSA-N 2 0 315.486 3.740 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000295056941 334216472 /nfs/dbraw/zinc/21/64/72/334216472.db2.gz PYXYYTBBZMHLFQ-WJXKREEZSA-N 2 0 313.489 3.631 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414999572 334238089 /nfs/dbraw/zinc/23/80/89/334238089.db2.gz JJBVHNCAEQVHIW-INWMFGNUSA-N 2 0 314.395 3.744 20 0 DHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000415000869 334239809 /nfs/dbraw/zinc/23/98/09/334239809.db2.gz UFZCFEUXXCREFZ-GWCFXTLKSA-N 2 0 318.795 3.549 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415006725 334248126 /nfs/dbraw/zinc/24/81/26/334248126.db2.gz QTMMQBGRKOAFKE-DVOMOZLQSA-N 2 0 314.395 3.916 20 0 DHADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415014869 334258748 /nfs/dbraw/zinc/25/87/48/334258748.db2.gz NHVPUKWELAMCSL-HOTGVXAUSA-N 2 0 319.493 3.634 20 0 DHADRP Cc1ccc(-c2nc(C[NH2+][C@H](C)CCCC[NH3+])cs2)cc1 ZINC000415016060 334258864 /nfs/dbraw/zinc/25/88/64/334258864.db2.gz PAGKWIHVVFFGDC-CQSZACIVSA-N 2 0 303.475 3.726 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000415049734 334259088 /nfs/dbraw/zinc/25/90/88/334259088.db2.gz YANDEUQOCSTGPF-GXTWGEPZSA-N 2 0 304.434 3.771 20 0 DHADRP Cc1ccc(COc2ccc(C[NH2+][C@@H](C)CCC[NH3+])cc2)cc1 ZINC000415024241 334259557 /nfs/dbraw/zinc/25/95/57/334259557.db2.gz OMOIHNOHBRSPCV-KRWDZBQOSA-N 2 0 312.457 3.791 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415027817 334260121 /nfs/dbraw/zinc/26/01/21/334260121.db2.gz BRPKRSQUAOCQQT-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415031105 334260368 /nfs/dbraw/zinc/26/03/68/334260368.db2.gz GJKFRQUPCJKLSE-APWZRJJASA-N 2 0 324.468 3.888 20 0 DHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415034212 334260554 /nfs/dbraw/zinc/26/05/54/334260554.db2.gz JQLWKYKXGZDNTO-ONGXEEELSA-N 2 0 306.759 3.576 20 0 DHADRP COc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc2c1 ZINC000415042063 334260953 /nfs/dbraw/zinc/26/09/53/334260953.db2.gz MAFPDDHKBATDTL-PZJWPPBQSA-N 2 0 324.468 3.812 20 0 DHADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCN[C@H](c2ccccc2)C1)c1ccccc1 ZINC000415045433 334261224 /nfs/dbraw/zinc/26/12/24/334261224.db2.gz BRSSNIJFIOGCBM-ACRUOGEOSA-N 2 0 323.484 3.550 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2cccnc12 ZINC000415058694 334261881 /nfs/dbraw/zinc/26/18/81/334261881.db2.gz WAQSABXFNQTXTA-MOPGFXCFSA-N 2 0 309.457 3.507 20 0 DHADRP CCn1nc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c2ccccc21 ZINC000415059139 334262120 /nfs/dbraw/zinc/26/21/20/334262120.db2.gz UMIYHZIUPDIAJJ-SFHVURJKSA-N 2 0 322.456 3.626 20 0 DHADRP CCc1ccccc1[C@@H]([NH3+])CNCc1cnc(CC(C)C)s1 ZINC000415068185 334262632 /nfs/dbraw/zinc/26/26/32/334262632.db2.gz QMFUZVGLXWKGEW-KRWDZBQOSA-N 2 0 317.502 3.694 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000415070774 334264656 /nfs/dbraw/zinc/26/46/56/334264656.db2.gz YSHCYEFTSUDXNI-LBPRGKRZSA-N 2 0 308.372 3.658 20 0 DHADRP [NH3+]C1CCC([NH2+]CCOc2ccccc2-c2ccccc2)CC1 ZINC000415077454 334268154 /nfs/dbraw/zinc/26/81/54/334268154.db2.gz FDTSFDVDCRENJO-UHFFFAOYSA-N 2 0 310.441 3.592 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000415077286 334268485 /nfs/dbraw/zinc/26/84/85/334268485.db2.gz HGTODWHNKIAKEL-AKHDSKFASA-N 2 0 316.489 3.663 20 0 DHADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415077553 334270152 /nfs/dbraw/zinc/27/01/52/334270152.db2.gz FLFXIGJKSZJWSA-TZIWHRDSSA-N 2 0 308.469 3.929 20 0 DHADRP C[C@@H]1C[C@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000415080883 334271354 /nfs/dbraw/zinc/27/13/54/334271354.db2.gz JWYFFQGUVGKXTK-DGCLKSJQSA-N 2 0 301.261 3.514 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000415088496 334277285 /nfs/dbraw/zinc/27/72/85/334277285.db2.gz MDACBKAQPIDENP-KRWDZBQOSA-N 2 0 308.469 3.796 20 0 DHADRP C[C@@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415089815 334279862 /nfs/dbraw/zinc/27/98/62/334279862.db2.gz YDQNKXWGFQJBOV-NHYWBVRUSA-N 2 0 301.261 3.686 20 0 DHADRP COc1cccc(C2(C[NH2+]C3CCC(C[NH3+])CC3)CCCC2)c1 ZINC000415092567 334280393 /nfs/dbraw/zinc/28/03/93/334280393.db2.gz TVFILSDLQLLIFH-UHFFFAOYSA-N 2 0 316.489 3.614 20 0 DHADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415092640 334280424 /nfs/dbraw/zinc/28/04/24/334280424.db2.gz UBGDLKOBGBROHF-PYTWLRIVSA-N 2 0 310.869 3.536 20 0 DHADRP CC(C)([NH3+])C[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000415096023 334281080 /nfs/dbraw/zinc/28/10/80/334281080.db2.gz AMHWARRPNHDJIV-JAGHRAMZSA-N 2 0 306.453 3.611 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415110275 334281696 /nfs/dbraw/zinc/28/16/96/334281696.db2.gz MXSFAXOCGGLEFP-AOIWGVFYSA-N 2 0 303.494 3.693 20 0 DHADRP c1ccc(C[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000415113686 334282188 /nfs/dbraw/zinc/28/21/88/334282188.db2.gz FDZNYHSOASPABU-RTWAWAEBSA-N 2 0 308.469 3.745 20 0 DHADRP CC(C)c1nc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000415121724 334284502 /nfs/dbraw/zinc/28/45/02/334284502.db2.gz ZJLVZPIJCHMYQZ-HUUCEWRRSA-N 2 0 309.523 3.709 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000531945040 334300436 /nfs/dbraw/zinc/30/04/36/334300436.db2.gz GPJOZQJADRYDGZ-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP C[NH+]1CCC(CC[NH2+]CCCCCOc2ccccc2)CC1 ZINC000187865408 334302000 /nfs/dbraw/zinc/30/20/00/334302000.db2.gz FZZGHULWCUTECV-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP CC[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000531949498 334303672 /nfs/dbraw/zinc/30/36/72/334303672.db2.gz DWMBNPHAMPVADQ-SJORKVTESA-N 2 0 318.505 3.931 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950137 334304151 /nfs/dbraw/zinc/30/41/51/334304151.db2.gz XQTCXRBLAMGWJQ-JKIFEVAISA-N 2 0 308.897 3.936 20 0 DHADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000531950863 334304345 /nfs/dbraw/zinc/30/43/45/334304345.db2.gz XAMCHQJSGMKYHM-ZMSDIMECSA-N 2 0 324.896 3.736 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534660086 334315900 /nfs/dbraw/zinc/31/59/00/334315900.db2.gz RQNHUXBABIAOIX-SJLPKXTDSA-N 2 0 322.880 3.668 20 0 DHADRP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000531979616 334350853 /nfs/dbraw/zinc/35/08/53/334350853.db2.gz UCZADAXTEYGQJY-LSDHHAIUSA-N 2 0 318.427 3.819 20 0 DHADRP Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc2[nH+]1 ZINC000535152495 334372972 /nfs/dbraw/zinc/37/29/72/334372972.db2.gz FWVLJMWRHWQONW-QGZVFWFLSA-N 2 0 309.457 3.711 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342812184 334579600 /nfs/dbraw/zinc/57/96/00/334579600.db2.gz YZZCWXQCIBHCFE-OXQOHEQNSA-N 2 0 316.489 3.828 20 0 DHADRP CCc1cc(N2CCC([NH+]3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000123855283 334739354 /nfs/dbraw/zinc/73/93/54/334739354.db2.gz ARQRDAWIYJARIT-UHFFFAOYSA-N 2 0 309.457 3.862 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)ccc1F ZINC000127110969 334871225 /nfs/dbraw/zinc/87/12/25/334871225.db2.gz WVGOBFHARFPCAN-OIKLOGQESA-N 2 0 315.230 3.509 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189006833 334880447 /nfs/dbraw/zinc/88/04/47/334880447.db2.gz AITBLNMRVHQBCT-UYAOXDASSA-N 2 0 300.490 3.860 20 0 DHADRP COCCC1(C[NH2+]C2CCC(C[NH+](C)C)CC2)CCCCC1 ZINC000189353027 334892628 /nfs/dbraw/zinc/89/26/28/334892628.db2.gz NWKDBHZAJOBCJC-UHFFFAOYSA-N 2 0 310.526 3.683 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000344202519 335224780 /nfs/dbraw/zinc/22/47/80/335224780.db2.gz ZSZKZQCSOMYYPN-CQSZACIVSA-N 2 0 324.428 3.588 20 0 DHADRP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345146582 335301506 /nfs/dbraw/zinc/30/15/06/335301506.db2.gz BHPZXNWGAJDTHA-FGTMMUONSA-N 2 0 318.505 3.679 20 0 DHADRP CC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000345184923 335306111 /nfs/dbraw/zinc/30/61/11/335306111.db2.gz YONNJGUGZMSCSA-GOSISDBHSA-N 2 0 316.489 3.778 20 0 DHADRP CC[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345191165 335306418 /nfs/dbraw/zinc/30/64/18/335306418.db2.gz QXKWCCQCDXTWHA-HNNXBMFYSA-N 2 0 300.368 3.669 20 0 DHADRP Cc1c([C@@H](C)NC2CC[NH+](C3CCC3)CC2)cnn1C(C)(C)C ZINC000345287002 335313937 /nfs/dbraw/zinc/31/39/37/335313937.db2.gz WYJIGVLCASTESW-CQSZACIVSA-N 2 0 318.509 3.614 20 0 DHADRP C([C@H]1CCC2(CCCCC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000190973162 335355249 /nfs/dbraw/zinc/35/52/49/335355249.db2.gz BZUJMCBVDDJUOL-RBUKOAKNSA-N 2 0 320.521 3.819 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000346176878 335378009 /nfs/dbraw/zinc/37/80/09/335378009.db2.gz SAXNHEUFIZOMJI-QZTJIDSGSA-N 2 0 310.526 3.636 20 0 DHADRP CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@@H]1CCCCO1 ZINC000346134990 335379948 /nfs/dbraw/zinc/37/99/48/335379948.db2.gz FRDZRYMNIWOFEC-INIZCTEOSA-N 2 0 319.474 3.715 20 0 DHADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346212400 335391060 /nfs/dbraw/zinc/39/10/60/335391060.db2.gz XCAKFKBGPDWYGL-HNAYVOBHSA-N 2 0 312.461 3.976 20 0 DHADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000346604481 335422874 /nfs/dbraw/zinc/42/28/74/335422874.db2.gz ASRGOTRNNFDGNV-UHFFFAOYSA-N 2 0 304.434 3.725 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000367086627 335660398 /nfs/dbraw/zinc/66/03/98/335660398.db2.gz MBDLKPRBLVDPOE-QUCCMNQESA-N 2 0 322.537 3.826 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000350177213 335732164 /nfs/dbraw/zinc/73/21/64/335732164.db2.gz PXIQAMZRGQCIFI-UHFFFAOYSA-N 2 0 321.534 3.964 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000518978206 335760024 /nfs/dbraw/zinc/76/00/24/335760024.db2.gz HNLJMMBBAUMFGY-UHFFFAOYSA-N 2 0 300.349 3.515 20 0 DHADRP C[C@H]([NH2+]CC1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000532188636 335912639 /nfs/dbraw/zinc/91/26/39/335912639.db2.gz VCULVEDSZPMOOB-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000583637449 336006134 /nfs/dbraw/zinc/00/61/34/336006134.db2.gz UAWLTPBHUXVNFK-XUVXKRRUSA-N 2 0 316.489 3.616 20 0 DHADRP c1ccc([C@@H]2C[C@@H]2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000417955215 336031174 /nfs/dbraw/zinc/03/11/74/336031174.db2.gz CUXKTWKSIOISGA-CTNGQTDRSA-N 2 0 321.468 3.691 20 0 DHADRP Oc1cc(F)cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000352011520 336188737 /nfs/dbraw/zinc/18/87/37/336188737.db2.gz RVNFRQIUSJMDRZ-UHFFFAOYSA-N 2 0 320.452 3.619 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000333342015 336202160 /nfs/dbraw/zinc/20/21/60/336202160.db2.gz YHTIGSRUVJJYOR-VSZNYVQBSA-N 2 0 301.478 3.523 20 0 DHADRP CC(C)(C)OC1CC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000352720952 336232293 /nfs/dbraw/zinc/23/22/93/336232293.db2.gz OTEIGPSZPVZZDP-UHFFFAOYSA-N 2 0 316.489 3.718 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352812574 336246238 /nfs/dbraw/zinc/24/62/38/336246238.db2.gz GKEHUWHGFSOEHE-UYSNPLJNSA-N 2 0 324.896 3.532 20 0 DHADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000532485191 336251641 /nfs/dbraw/zinc/25/16/41/336251641.db2.gz MTYGQPGEVGQCDQ-JYJNAYRXSA-N 2 0 321.484 3.663 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000532503832 336252582 /nfs/dbraw/zinc/25/25/82/336252582.db2.gz PBPPRNNXMKMUIL-RYQLBKOJSA-N 2 0 314.498 3.880 20 0 DHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C1 ZINC000526974751 336277129 /nfs/dbraw/zinc/27/71/29/336277129.db2.gz AQKJJUCJQHJZFD-HOTGVXAUSA-N 2 0 304.453 3.756 20 0 DHADRP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192933761 336285061 /nfs/dbraw/zinc/28/50/61/336285061.db2.gz GZPWLYPWYZKVNY-HXUWFJFHSA-N 2 0 324.468 3.697 20 0 DHADRP CC(C)C[NH+]1CCC(Nc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000301282721 336298600 /nfs/dbraw/zinc/29/86/00/336298600.db2.gz QLOMBJSWTILFRT-UHFFFAOYSA-N 2 0 301.409 3.906 20 0 DHADRP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301467838 336308781 /nfs/dbraw/zinc/30/87/81/336308781.db2.gz MTJIJHXTIMJIHF-CQSZACIVSA-N 2 0 301.409 3.542 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000302178960 336352628 /nfs/dbraw/zinc/35/26/28/336352628.db2.gz YLBHUBWQXFNZJG-QGZVFWFLSA-N 2 0 309.457 3.998 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000563910022 336382835 /nfs/dbraw/zinc/38/28/35/336382835.db2.gz AIWJOFBQBYOXJT-PKOBYXMFSA-N 2 0 310.526 3.636 20 0 DHADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C(C)C)cc1 ZINC000152474015 336390396 /nfs/dbraw/zinc/39/03/96/336390396.db2.gz RFRAXHWZIQFIOW-AZUAARDMSA-N 2 0 300.490 3.636 20 0 DHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110643973 336397064 /nfs/dbraw/zinc/39/70/64/336397064.db2.gz RBTZYYQXDSCEOX-NWDGAFQWSA-N 2 0 311.267 3.569 20 0 DHADRP CSC1(C[NH2+]C2CC(c3ccccc3C)C2)CC[NH+](C)CC1 ZINC000353612994 336428702 /nfs/dbraw/zinc/42/87/02/336428702.db2.gz USPLEYOGPGCGIP-UHFFFAOYSA-N 2 0 318.530 3.658 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000359324392 336667784 /nfs/dbraw/zinc/66/77/84/336667784.db2.gz RJHCJNXUYWEEIC-MJGOQNOKSA-N 2 0 322.468 3.532 20 0 DHADRP CC[NH+](CC)[C@@H](C)CNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000359440171 336673149 /nfs/dbraw/zinc/67/31/49/336673149.db2.gz OPXCHDMSWXQUKV-LBPRGKRZSA-N 2 0 305.397 3.525 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000361184712 336742965 /nfs/dbraw/zinc/74/29/65/336742965.db2.gz WEVORHATSOMURP-MRXNPFEDSA-N 2 0 309.457 3.741 20 0 DHADRP COCC(C)(C)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000367487808 336823754 /nfs/dbraw/zinc/82/37/54/336823754.db2.gz BMTAXXUFKRNSKX-UHFFFAOYSA-N 2 0 310.526 3.826 20 0 DHADRP C[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO[C@H]1C1CC1 ZINC000372097500 336922090 /nfs/dbraw/zinc/92/20/90/336922090.db2.gz ZUUSHDFMSYNQBZ-VQTJNVASSA-N 2 0 320.521 3.578 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000582421204 336971903 /nfs/dbraw/zinc/97/19/03/336971903.db2.gz FBWNDEQCWMPHIA-QGZVFWFLSA-N 2 0 316.832 3.802 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000375589225 337013939 /nfs/dbraw/zinc/01/39/39/337013939.db2.gz AAMXGKLQTYNFBS-LPHOPBHVSA-N 2 0 315.505 3.960 20 0 DHADRP FC(F)(F)C1CCC(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000376017044 337025289 /nfs/dbraw/zinc/02/52/89/337025289.db2.gz BBWLUIGQBCAXHO-UHFFFAOYSA-N 2 0 318.427 3.962 20 0 DHADRP Fc1cccc(C2CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000376029769 337025553 /nfs/dbraw/zinc/02/55/53/337025553.db2.gz QEXVVPYRDADGNJ-UHFFFAOYSA-N 2 0 302.437 3.678 20 0 DHADRP C[C@@H]1C[C@H](N(C)Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000123488264 337048682 /nfs/dbraw/zinc/04/86/82/337048682.db2.gz CDPMHZKYZYRWDH-UKRRQHHQSA-N 2 0 317.864 3.803 20 0 DHADRP C[C@H](CC[NH2+]C1CC(c2ccccn2)C1)[N@H+](C)Cc1ccccc1 ZINC000377653408 337057738 /nfs/dbraw/zinc/05/77/38/337057738.db2.gz RSHVREFGLWLNSQ-QHGAOEGBSA-N 2 0 323.484 3.828 20 0 DHADRP CC(C)C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000378473147 337073625 /nfs/dbraw/zinc/07/36/25/337073625.db2.gz HWEKCXOFCWSGLS-HKUYNNGSSA-N 2 0 308.510 3.577 20 0 DHADRP CCCC(CCC)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000360016770 337083800 /nfs/dbraw/zinc/08/38/00/337083800.db2.gz BWFUQYBSSHHKSG-UHFFFAOYSA-N 2 0 323.569 3.741 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)s1 ZINC000178034412 337159987 /nfs/dbraw/zinc/15/99/87/337159987.db2.gz PXHBJUBTPCZTIH-IIAWOOMASA-N 2 0 324.534 3.905 20 0 DHADRP Cc1ccsc1[C@@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178036855 337160021 /nfs/dbraw/zinc/16/00/21/337160021.db2.gz NWZPCMBSFAYVDN-BZUAXINKSA-N 2 0 310.507 3.597 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000178092508 337160497 /nfs/dbraw/zinc/16/04/97/337160497.db2.gz LAGAWJWOFNLOJZ-ZWKOTPCHSA-N 2 0 318.505 3.966 20 0 DHADRP CC(C)n1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000180039160 337173376 /nfs/dbraw/zinc/17/33/76/337173376.db2.gz OMRYTSCOUZMFEI-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C12CCC2 ZINC000183198543 337190294 /nfs/dbraw/zinc/19/02/94/337190294.db2.gz XCTLADPRJCRXPL-ISARSNTHSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583208732 337272341 /nfs/dbraw/zinc/27/23/41/337272341.db2.gz NSVCIPWDABNQBC-ZDUSSCGKSA-N 2 0 316.395 3.804 20 0 DHADRP CC(C)OC1CC([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000189527404 337280009 /nfs/dbraw/zinc/28/00/09/337280009.db2.gz OFVANZVXULRYSZ-KLAILNCOSA-N 2 0 322.518 3.506 20 0 DHADRP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000192119247 337302980 /nfs/dbraw/zinc/30/29/80/337302980.db2.gz HFRXAFBBRQSFHG-GUYCJALGSA-N 2 0 319.836 3.628 20 0 DHADRP C[N@H+](CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000321953664 337306741 /nfs/dbraw/zinc/30/67/41/337306741.db2.gz MCMDYLDBHFPNCU-HSALFYBXSA-N 2 0 321.553 3.541 20 0 DHADRP [NH3+]CC1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000583752646 337329521 /nfs/dbraw/zinc/32/95/21/337329521.db2.gz VCISGLXOIOCOIJ-UHFFFAOYSA-N 2 0 301.261 3.597 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1OC ZINC000123708121 337400724 /nfs/dbraw/zinc/40/07/24/337400724.db2.gz PFSTUFJYMWNYBL-IBGZPJMESA-N 2 0 312.457 3.998 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(Br)c1 ZINC000045664064 337421582 /nfs/dbraw/zinc/42/15/82/337421582.db2.gz PKDQBZYRURZGNH-OAHLLOKOSA-N 2 0 313.283 3.832 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1F ZINC000262336914 337451337 /nfs/dbraw/zinc/45/13/37/337451337.db2.gz TUNVVJYKTCGJEA-DZKIICNBSA-N 2 0 308.441 3.796 20 0 DHADRP Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420182252 337496227 /nfs/dbraw/zinc/49/62/27/337496227.db2.gz GEJAUEFXAWKHBJ-XHDPSFHLSA-N 2 0 303.837 3.679 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](c2ccccc2)C(C)C)cc1 ZINC000420377523 337500340 /nfs/dbraw/zinc/50/03/40/337500340.db2.gz SFEXIMUWDCKUGR-QUCCMNQESA-N 2 0 312.457 3.724 20 0 DHADRP Cc1[nH]c2ccc(C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)cc2c1C ZINC000422715883 337683882 /nfs/dbraw/zinc/68/38/82/337683882.db2.gz JPJPLNOITLOAQB-AWEZNQCLSA-N 2 0 322.456 3.798 20 0 DHADRP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1Cl ZINC000422726528 337684294 /nfs/dbraw/zinc/68/42/94/337684294.db2.gz FDEMUGNVSRWYQO-UHFFFAOYSA-N 2 0 312.860 3.864 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422726615 337684430 /nfs/dbraw/zinc/68/44/30/337684430.db2.gz FOFJIGMHICBYAU-OBJOEFQTSA-N 2 0 300.368 3.744 20 0 DHADRP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422757111 337685299 /nfs/dbraw/zinc/68/52/99/337685299.db2.gz JMHCEZBPVAPOPU-KSZLIROESA-N 2 0 322.493 3.818 20 0 DHADRP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422763430 337685522 /nfs/dbraw/zinc/68/55/22/337685522.db2.gz OPNKBILBKMHJKB-YESZJQIVSA-N 2 0 300.471 3.912 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772408 337685850 /nfs/dbraw/zinc/68/58/50/337685850.db2.gz YHZCYICHDMIJSB-DHSIGJKJSA-N 2 0 314.454 3.655 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422783507 337686320 /nfs/dbraw/zinc/68/63/20/337686320.db2.gz MYLGJMQTEFCRFT-CVAIRZPRSA-N 2 0 314.473 3.801 20 0 DHADRP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422742529 337686854 /nfs/dbraw/zinc/68/68/54/337686854.db2.gz QFLCTIWSYGAANA-QWRGUYRKSA-N 2 0 319.449 3.516 20 0 DHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1CCCCC1 ZINC000422800764 337687089 /nfs/dbraw/zinc/68/70/89/337687089.db2.gz AFPVSMKENAUCLZ-QUCCMNQESA-N 2 0 314.473 3.802 20 0 DHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422804342 337687341 /nfs/dbraw/zinc/68/73/41/337687341.db2.gz HLHIPCCETNBSMD-QRQLOZEOSA-N 2 0 304.478 3.570 20 0 DHADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422819929 337687967 /nfs/dbraw/zinc/68/79/67/337687967.db2.gz OKHJTXWTQYUKCM-OXGONZEZSA-N 2 0 318.427 3.865 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422820395 337687987 /nfs/dbraw/zinc/68/79/87/337687987.db2.gz QJEPSIKNIDBCHJ-IGKNDFSCSA-N 2 0 310.551 3.951 20 0 DHADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422820602 337688089 /nfs/dbraw/zinc/68/80/89/337688089.db2.gz RJZIEVFWRQINEA-SPUZQDLCSA-N 2 0 306.519 3.599 20 0 DHADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000422817357 337688135 /nfs/dbraw/zinc/68/81/35/337688135.db2.gz CXTMBNOWINAARP-UAFMIMERSA-N 2 0 322.537 3.872 20 0 DHADRP COc1ccc(-c2csc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422825053 337688311 /nfs/dbraw/zinc/68/83/11/337688311.db2.gz PBDVVWWYYASXNT-STQMWFEESA-N 2 0 304.459 3.639 20 0 DHADRP CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422840520 337688637 /nfs/dbraw/zinc/68/86/37/337688637.db2.gz TWCHLABJPRDURB-MBNYWOFBSA-N 2 0 318.383 3.578 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837804 337688647 /nfs/dbraw/zinc/68/86/47/337688647.db2.gz MWEZMDFVAHMSKH-HUUCEWRRSA-N 2 0 310.441 3.504 20 0 DHADRP CC[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccccc1Cl ZINC000422837061 337688686 /nfs/dbraw/zinc/68/86/86/337688686.db2.gz LEVDLBHAUYTYET-YMAMQOFZSA-N 2 0 310.869 3.605 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000422845895 337688747 /nfs/dbraw/zinc/68/87/47/337688747.db2.gz CXTBXCAWELDDKC-CYBMUJFWSA-N 2 0 315.436 3.616 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422869600 337689422 /nfs/dbraw/zinc/68/94/22/337689422.db2.gz XQAQXPZFWJOLBE-NEPJUHHUSA-N 2 0 315.442 3.772 20 0 DHADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422875082 337689560 /nfs/dbraw/zinc/68/95/60/337689560.db2.gz BQWQQHRHBRAQGW-HZPDHXFCSA-N 2 0 323.912 3.582 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422888564 337690220 /nfs/dbraw/zinc/69/02/20/337690220.db2.gz NIHMPVAJKCSRNT-NJZAAPMLSA-N 2 0 315.288 3.902 20 0 DHADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422898911 337690549 /nfs/dbraw/zinc/69/05/49/337690549.db2.gz NGJJUEKJGUTBCE-SLFFLAALSA-N 2 0 316.489 3.732 20 0 DHADRP Cc1csc(CCCC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000422911877 337690880 /nfs/dbraw/zinc/69/08/80/337690880.db2.gz UQFXTYBMAXCURQ-GDBMZVCRSA-N 2 0 309.523 3.675 20 0 DHADRP CC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422930862 337692100 /nfs/dbraw/zinc/69/21/00/337692100.db2.gz WIFAAYVNUHJZLI-XLIONFOSSA-N 2 0 314.473 3.802 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422934806 337692205 /nfs/dbraw/zinc/69/22/05/337692205.db2.gz KAKUHOCYNMQHBT-BBRMVZONSA-N 2 0 315.486 3.911 20 0 DHADRP [NH3+]CC1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000422936998 337692400 /nfs/dbraw/zinc/69/24/00/337692400.db2.gz NLECQCZCAHPHAV-UHFFFAOYSA-N 2 0 324.468 3.873 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000422943915 337692810 /nfs/dbraw/zinc/69/28/10/337692810.db2.gz ZBTZKLOOCSEZFU-OAHLLOKOSA-N 2 0 319.452 3.895 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000422902592 337693343 /nfs/dbraw/zinc/69/33/43/337693343.db2.gz NBWPSTNODAJXNF-ZWNOBZJWSA-N 2 0 317.260 3.924 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422978953 337693534 /nfs/dbraw/zinc/69/35/34/337693534.db2.gz LDKAULDDJOTHNR-WCIQWLHISA-N 2 0 315.505 3.633 20 0 DHADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000422991721 337693945 /nfs/dbraw/zinc/69/39/45/337693945.db2.gz QATQHKJXBDDLFU-LBEMJPCMSA-N 2 0 310.388 3.612 20 0 DHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422995107 337694133 /nfs/dbraw/zinc/69/41/33/337694133.db2.gz JHRVGKMSVQYEKQ-XLIONFOSSA-N 2 0 308.469 3.557 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949565 337694449 /nfs/dbraw/zinc/69/44/49/337694449.db2.gz UICNOZPGSDDEMI-NFJMJWFLSA-N 2 0 320.480 3.999 20 0 DHADRP c1ccc(-c2cccc3c2OCC[C@H]3[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422954145 337694653 /nfs/dbraw/zinc/69/46/53/337694653.db2.gz HPBPTIQGFOKQAK-YLJYHZDGSA-N 2 0 322.452 3.909 20 0 DHADRP FC(F)(F)c1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423011744 337695562 /nfs/dbraw/zinc/69/55/62/337695562.db2.gz BMFXCTQCYAMHSW-HZPDHXFCSA-N 2 0 312.379 3.888 20 0 DHADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000423030707 337696437 /nfs/dbraw/zinc/69/64/37/337696437.db2.gz UESXSTCGJOAMEP-LDZOIKDWSA-N 2 0 308.853 3.661 20 0 DHADRP Fc1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423045587 337697058 /nfs/dbraw/zinc/69/70/58/337697058.db2.gz CHCMEOFSTBTVIU-KFKAGJAMSA-N 2 0 322.443 3.798 20 0 DHADRP CC(C)C(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423055609 337697397 /nfs/dbraw/zinc/69/73/97/337697397.db2.gz DMOARQMUMLCOGV-QFBILLFUSA-N 2 0 302.462 3.514 20 0 DHADRP COCCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCCCC1 ZINC000423058166 337697703 /nfs/dbraw/zinc/69/77/03/337697703.db2.gz BLQZJWRUQSMDPR-HKUYNNGSSA-N 2 0 318.505 3.522 20 0 DHADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000423060598 337697735 /nfs/dbraw/zinc/69/77/35/337697735.db2.gz IOJILOHQYQZIRI-IPMKNSEASA-N 2 0 322.537 3.874 20 0 DHADRP CCSc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000423067318 337698076 /nfs/dbraw/zinc/69/80/76/337698076.db2.gz YXVJEGVGRIWGAH-GVDBMIGSSA-N 2 0 319.518 3.594 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423072594 337698243 /nfs/dbraw/zinc/69/82/43/337698243.db2.gz JRPQIIIMUSFZMH-JTQLQIEISA-N 2 0 314.260 3.734 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423087532 337698722 /nfs/dbraw/zinc/69/87/22/337698722.db2.gz PRIAEHVCQITWNO-GDAAHCPNSA-N 2 0 302.437 3.713 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423087535 337698855 /nfs/dbraw/zinc/69/88/55/337698855.db2.gz PRIAEHVCQITWNO-LULLPPNCSA-N 2 0 302.437 3.713 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423093280 337698958 /nfs/dbraw/zinc/69/89/58/337698958.db2.gz GVZCDLJCFDTAHB-DZKIICNBSA-N 2 0 313.420 3.585 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092021 337698992 /nfs/dbraw/zinc/69/89/92/337698992.db2.gz AEJMDKUXWLGSPA-DARAHFNDSA-N 2 0 312.379 3.668 20 0 DHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098675 337699396 /nfs/dbraw/zinc/69/93/96/337699396.db2.gz DFBTYMJKEKHRGM-IUODEOHRSA-N 2 0 321.877 3.681 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423105085 337699708 /nfs/dbraw/zinc/69/97/08/337699708.db2.gz NBPSUZHEJLYHSI-AHIWAGSCSA-N 2 0 310.869 3.523 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423119480 337700451 /nfs/dbraw/zinc/70/04/51/337700451.db2.gz CMXMLPZZETZXBA-UKRRQHHQSA-N 2 0 302.384 3.515 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423136486 337701254 /nfs/dbraw/zinc/70/12/54/337701254.db2.gz PGAYZZKYMMPXSU-KBMXLJTQSA-N 2 0 314.395 3.700 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423140663 337701425 /nfs/dbraw/zinc/70/14/25/337701425.db2.gz ZBFZXMXJGGFEEY-JYJNAYRXSA-N 2 0 314.395 3.843 20 0 DHADRP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423160081 337702028 /nfs/dbraw/zinc/70/20/28/337702028.db2.gz GUJMOTKSKVZMPL-SCWSEQNSSA-N 2 0 322.452 3.902 20 0 DHADRP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423164884 337702102 /nfs/dbraw/zinc/70/21/02/337702102.db2.gz AMYUQFLGSZFBRP-UNTBTUBKSA-N 2 0 322.855 3.845 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423182347 337702802 /nfs/dbraw/zinc/70/28/02/337702802.db2.gz LPLBSECRKXTXFP-KCMWZYNZSA-N 2 0 306.881 3.954 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423209724 337704327 /nfs/dbraw/zinc/70/43/27/337704327.db2.gz JKAFKXYZOJCNKR-OLZOCXBDSA-N 2 0 314.445 3.694 20 0 DHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423214903 337704711 /nfs/dbraw/zinc/70/47/11/337704711.db2.gz LYCGLDMYYXIKST-NLXSIGEOSA-N 2 0 306.416 3.721 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1OC(F)(F)F ZINC000423221889 337705575 /nfs/dbraw/zinc/70/55/75/337705575.db2.gz YPGQZVGZGIAYNO-UNXYVOJBSA-N 2 0 302.340 3.506 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423224236 337705641 /nfs/dbraw/zinc/70/56/41/337705641.db2.gz IQKJGZZKKDCQHN-SUMWQHHRSA-N 2 0 320.383 3.704 20 0 DHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423240306 337706601 /nfs/dbraw/zinc/70/66/01/337706601.db2.gz CBVUGKHHXSNQPV-YAUKXXINSA-N 2 0 316.489 3.552 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)ccc1Cl ZINC000423253266 337707564 /nfs/dbraw/zinc/70/75/64/337707564.db2.gz VPXIVAZOWOHUMB-JKSUJKDBSA-N 2 0 324.896 3.785 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+]CC[C@@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000423255122 337707725 /nfs/dbraw/zinc/70/77/25/337707725.db2.gz AVOOGXJLBOTKPI-GJZGRUSLSA-N 2 0 316.445 3.790 20 0 DHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000423255904 337707727 /nfs/dbraw/zinc/70/77/27/337707727.db2.gz AXWRBFROVDXUIY-QGPMSJSTSA-N 2 0 306.881 3.955 20 0 DHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256277 337707752 /nfs/dbraw/zinc/70/77/52/337707752.db2.gz DUHNJRWZAVGOLP-CZUORRHYSA-N 2 0 308.853 3.533 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423264397 337708246 /nfs/dbraw/zinc/70/82/46/337708246.db2.gz YOCXATJJLJYLAE-OLZOCXBDSA-N 2 0 316.367 3.626 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423264850 337708284 /nfs/dbraw/zinc/70/82/84/337708284.db2.gz ZLKXWRAWVCMAEV-STQMWFEESA-N 2 0 316.367 3.626 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423273556 337708768 /nfs/dbraw/zinc/70/87/68/337708768.db2.gz LCOVEWSVUFPTKI-KBXCAEBGSA-N 2 0 306.881 3.640 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000423281586 337709408 /nfs/dbraw/zinc/70/94/08/337709408.db2.gz VUPVUSTXWABNPN-RHSMWYFYSA-N 2 0 302.487 3.785 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000423291186 337709886 /nfs/dbraw/zinc/70/98/86/337709886.db2.gz HECBZNWWEKDMQT-UGSOOPFHSA-N 2 0 314.404 3.849 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291928 337710114 /nfs/dbraw/zinc/71/01/14/337710114.db2.gz KOUJAOJXXRJZPJ-VUEDXXQZSA-N 2 0 324.468 3.997 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423292687 337710274 /nfs/dbraw/zinc/71/02/74/337710274.db2.gz NYQVMMPZQMGULL-UONOGXRCSA-N 2 0 314.429 3.574 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423334380 337712519 /nfs/dbraw/zinc/71/25/19/337712519.db2.gz IGYHQPLHXXZWDB-OQMKEHIESA-N 2 0 312.910 3.873 20 0 DHADRP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423333424 337712598 /nfs/dbraw/zinc/71/25/98/337712598.db2.gz RSJPKTLYZZPYTR-UKRRQHHQSA-N 2 0 300.368 3.670 20 0 DHADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCCC[NH3+])cc2)c1 ZINC000423341458 337712807 /nfs/dbraw/zinc/71/28/07/337712807.db2.gz UMMKBAZATIJXFR-QGZVFWFLSA-N 2 0 312.457 3.964 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(OCc2ccccc2)c1 ZINC000423364589 337714639 /nfs/dbraw/zinc/71/46/39/337714639.db2.gz CKBACFGMNAYJOK-LLGFUMIMSA-N 2 0 324.468 3.914 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000423399776 337715581 /nfs/dbraw/zinc/71/55/81/337715581.db2.gz VAEKLTYSSOLYPW-QZTJIDSGSA-N 2 0 316.395 3.914 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CCS2 ZINC000423420768 337716749 /nfs/dbraw/zinc/71/67/49/337716749.db2.gz JVHGDVLPFXEFIU-CKEIUWERSA-N 2 0 320.502 3.587 20 0 DHADRP Cc1cc([C@H]([NH2+][C@@H](C)CCCC[NH3+])c2cccnc2)ccc1F ZINC000423419096 337716754 /nfs/dbraw/zinc/71/67/54/337716754.db2.gz AJTZFHIWSLDTEC-KXBFYZLASA-N 2 0 315.436 3.726 20 0 DHADRP Clc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)cc1 ZINC000423421840 337716832 /nfs/dbraw/zinc/71/68/32/337716832.db2.gz BCFTUJLEOUPHSC-KSZLIROESA-N 2 0 304.865 3.769 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423424258 337716957 /nfs/dbraw/zinc/71/69/57/337716957.db2.gz FPHDWAGOJIOIMA-GXSJLCMTSA-N 2 0 317.296 3.605 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1Cl ZINC000423388050 337718007 /nfs/dbraw/zinc/71/80/07/337718007.db2.gz SXJBZAGRTYKNPA-XHSDSOJGSA-N 2 0 324.896 3.926 20 0 DHADRP Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1Cl ZINC000423389317 337718212 /nfs/dbraw/zinc/71/82/12/337718212.db2.gz JHZJXUZPIGBKDU-RVKKMQEKSA-N 2 0 324.896 3.784 20 0 DHADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423394317 337718617 /nfs/dbraw/zinc/71/86/17/337718617.db2.gz REKAETARZCWNPF-NHCUHLMSSA-N 2 0 306.453 3.890 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc4c(c3)C[NH2+]C4)oc21 ZINC000423395187 337718685 /nfs/dbraw/zinc/71/86/85/337718685.db2.gz RVECUKRAXYZMDK-CYBMUJFWSA-N 2 0 322.408 3.895 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000423448730 337719727 /nfs/dbraw/zinc/71/97/27/337719727.db2.gz VLMULXWGXOKYOH-VBNZEHGJSA-N 2 0 304.503 3.666 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000423453541 337720206 /nfs/dbraw/zinc/72/02/06/337720206.db2.gz ANXHTCBBOONOMU-UXLLHSPISA-N 2 0 320.477 3.652 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423456505 337720431 /nfs/dbraw/zinc/72/04/31/337720431.db2.gz NUZKNGFKVXJLAO-NWDGAFQWSA-N 2 0 307.438 3.727 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423456522 337720439 /nfs/dbraw/zinc/72/04/39/337720439.db2.gz NYDZAXATDXEMME-GYSYKLTISA-N 2 0 311.267 3.714 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423469575 337721012 /nfs/dbraw/zinc/72/10/12/337721012.db2.gz CPCAJOFZNYDQOO-KBXCAEBGSA-N 2 0 302.462 3.539 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423474434 337721410 /nfs/dbraw/zinc/72/14/10/337721410.db2.gz HHZVEPOWEJENAS-SJLPKXTDSA-N 2 0 304.478 3.904 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000423478661 337721736 /nfs/dbraw/zinc/72/17/36/337721736.db2.gz UIQCNFTZXODICA-IOASZLSFSA-N 2 0 308.853 3.661 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423479294 337721908 /nfs/dbraw/zinc/72/19/08/337721908.db2.gz UYOQFRJQAZGGCJ-CLCXKQKWSA-N 2 0 311.473 3.961 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423482214 337722026 /nfs/dbraw/zinc/72/20/26/337722026.db2.gz OVLPNYBUGXDLIW-QLFBSQMISA-N 2 0 317.502 3.910 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423485596 337722168 /nfs/dbraw/zinc/72/21/68/337722168.db2.gz AZYDLKRIAILVRE-ZOBUZTSGSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423487814 337722283 /nfs/dbraw/zinc/72/22/83/337722283.db2.gz CYLHMQNYMLEEFR-GUTXKFCHSA-N 2 0 301.459 3.588 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423487968 337722316 /nfs/dbraw/zinc/72/23/16/337722316.db2.gz VBKONSAJQGUHTF-GXTWGEPZSA-N 2 0 309.523 3.932 20 0 DHADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423494783 337722794 /nfs/dbraw/zinc/72/27/94/337722794.db2.gz BAKWNVFBMOMQSA-DOTOQJQBSA-N 2 0 315.486 3.899 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423493915 337722804 /nfs/dbraw/zinc/72/28/04/337722804.db2.gz RIYDWAAHZITDIV-INWMFGNUSA-N 2 0 308.853 3.579 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423496768 337722904 /nfs/dbraw/zinc/72/29/04/337722904.db2.gz XOPCLLKIZAKSAT-RKVPGOIHSA-N 2 0 302.462 3.741 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000423496199 337722906 /nfs/dbraw/zinc/72/29/06/337722906.db2.gz FZJQJTMGUHSKAB-AVGNSLFASA-N 2 0 319.449 3.727 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)C1 ZINC000423499173 337723194 /nfs/dbraw/zinc/72/31/94/337723194.db2.gz HNJNFZFPDGYDME-LSTHTHJFSA-N 2 0 312.432 3.827 20 0 DHADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C(C)C)cc1 ZINC000423537188 337724957 /nfs/dbraw/zinc/72/49/57/337724957.db2.gz CBQXLSFGMQVKHH-WCIQWLHISA-N 2 0 300.490 3.540 20 0 DHADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1Br ZINC000423540122 337725094 /nfs/dbraw/zinc/72/50/94/337725094.db2.gz PXOUMKXVANYJGR-INIZCTEOSA-N 2 0 323.278 3.800 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2ccccc2)o1 ZINC000423545292 337725331 /nfs/dbraw/zinc/72/53/31/337725331.db2.gz PDJSENNISZQVDJ-DZOHQFGASA-N 2 0 310.441 3.985 20 0 DHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000423544714 337725352 /nfs/dbraw/zinc/72/53/52/337725352.db2.gz IVQFVUXSWVJZFZ-RFXPCRSYSA-N 2 0 318.892 3.954 20 0 DHADRP Cc1cc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)ccc1F ZINC000423545307 337725359 /nfs/dbraw/zinc/72/53/59/337725359.db2.gz PDOLTRBXIMQPJD-YWTNHNAXSA-N 2 0 302.437 3.563 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423547279 337725396 /nfs/dbraw/zinc/72/53/96/337725396.db2.gz PRTWEOLYXXWCPR-AAVRWANBSA-N 2 0 312.910 3.700 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCS2 ZINC000423547773 337725454 /nfs/dbraw/zinc/72/54/54/337725454.db2.gz QFDLFKOOPDRBCL-BVIKNXMNSA-N 2 0 316.514 3.818 20 0 DHADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423554594 337725509 /nfs/dbraw/zinc/72/55/09/337725509.db2.gz WXVRUEPEPRBACO-AFDCHOCNSA-N 2 0 312.501 3.766 20 0 DHADRP COc1ccc2cc([C@@H](C)[NH2+]CCC3=CC[NH2+]CC3)ccc2c1 ZINC000423568613 337725668 /nfs/dbraw/zinc/72/56/68/337725668.db2.gz VRPZHFMVWDMPOU-OAHLLOKOSA-N 2 0 310.441 3.809 20 0 DHADRP Cc1cc([C@@H]([NH2+]CCC2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000537000284 337861303 /nfs/dbraw/zinc/86/13/03/337861303.db2.gz YKCSMEBROGHHOG-IBGZPJMESA-N 2 0 304.453 3.907 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000516449741 338012744 /nfs/dbraw/zinc/01/27/44/338012744.db2.gz NNTLRNXFIKRZIO-MXWWQKGMSA-N 2 0 309.457 3.693 20 0 DHADRP Cc1cccc(C)c1[C@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894376 338018467 /nfs/dbraw/zinc/01/84/67/338018467.db2.gz GAYNOVUEFAIHFV-HNNXBMFYSA-N 2 0 313.445 3.609 20 0 DHADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000426318843 338026694 /nfs/dbraw/zinc/02/66/94/338026694.db2.gz SQPBEVKSMDZHQB-QZTJIDSGSA-N 2 0 300.490 3.797 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000428247277 338044050 /nfs/dbraw/zinc/04/40/50/338044050.db2.gz TZLORWCPEOIWMD-AZUAARDMSA-N 2 0 318.505 3.816 20 0 DHADRP CCCn1ccnc1CCC[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000429245688 338074559 /nfs/dbraw/zinc/07/45/59/338074559.db2.gz KYLGGYWOBHAIBQ-ROUUACIJSA-N 2 0 321.509 3.753 20 0 DHADRP COC1(C[C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCC1 ZINC000429516998 338082781 /nfs/dbraw/zinc/08/27/81/338082781.db2.gz FSELXXDFQITPRP-KURKYZTESA-N 2 0 310.526 3.682 20 0 DHADRP Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000429526404 338083019 /nfs/dbraw/zinc/08/30/19/338083019.db2.gz HHDVFTDHVWFGRJ-HNNXBMFYSA-N 2 0 319.474 3.628 20 0 DHADRP COC1(C[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000429528071 338083144 /nfs/dbraw/zinc/08/31/44/338083144.db2.gz NWCTZBARPZOJNQ-QZTJIDSGSA-N 2 0 318.505 3.834 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000430590162 338109411 /nfs/dbraw/zinc/10/94/11/338109411.db2.gz HAMFHCYNOKZJDX-UHFFFAOYSA-N 2 0 319.474 3.533 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000430943407 338119217 /nfs/dbraw/zinc/11/92/17/338119217.db2.gz HZMMXHFATROYQK-INIZCTEOSA-N 2 0 312.457 3.668 20 0 DHADRP c1ccc2c(c1)cccc2OCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431033690 338120839 /nfs/dbraw/zinc/12/08/39/338120839.db2.gz RCJLPPZXYNQPRT-UHFFFAOYSA-N 2 0 324.468 3.684 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)C1 ZINC000431347775 338128796 /nfs/dbraw/zinc/12/87/96/338128796.db2.gz HNGMHDSCZIYECL-VQIMIIECSA-N 2 0 316.489 3.955 20 0 DHADRP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000432408365 338155081 /nfs/dbraw/zinc/15/50/81/338155081.db2.gz BHEYZMKXDLZDIB-UYAOXDASSA-N 2 0 318.505 3.864 20 0 DHADRP CCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423841 338156111 /nfs/dbraw/zinc/15/61/11/338156111.db2.gz LJJIRPWBTHXEJU-MSOLQXFVSA-N 2 0 318.505 3.791 20 0 DHADRP c1cc(C[N@@H+](CC2CCCC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432665508 338161940 /nfs/dbraw/zinc/16/19/40/338161940.db2.gz DEPIDYNCCKZCRT-KRWDZBQOSA-N 2 0 304.503 3.882 20 0 DHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432793503 338168147 /nfs/dbraw/zinc/16/81/47/338168147.db2.gz PYHGFDPRCDEOLK-KRWDZBQOSA-N 2 0 312.457 3.765 20 0 DHADRP CC[NH+](Cc1cc(C[N@@H+](CC)C2CC2)cc(OC)c1)C1CC1 ZINC000432927275 338173435 /nfs/dbraw/zinc/17/34/35/338173435.db2.gz GLLURSNELKWHSB-UHFFFAOYSA-N 2 0 302.462 3.664 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433302673 338190519 /nfs/dbraw/zinc/19/05/19/338190519.db2.gz JOUBQBJDHLXOKJ-NSHDSACASA-N 2 0 323.428 3.762 20 0 DHADRP CCN(Cc1cnc(C2CCCC2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435377985 338238170 /nfs/dbraw/zinc/23/81/70/338238170.db2.gz BSEGGLWRWYPXJX-OAHLLOKOSA-N 2 0 307.507 3.765 20 0 DHADRP COc1ccccc1-c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435431146 338239933 /nfs/dbraw/zinc/23/99/33/338239933.db2.gz HCFYZRIIPPNHFG-LJQANCHMSA-N 2 0 324.468 3.936 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436274960 338265048 /nfs/dbraw/zinc/26/50/48/338265048.db2.gz NXNZYOHNCKHSCO-AQNXPRMDSA-N 2 0 300.490 3.719 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436298170 338267287 /nfs/dbraw/zinc/26/72/87/338267287.db2.gz YXQMLKOQBVSXSS-UHFFFAOYSA-N 2 0 303.425 3.517 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436414120 338271719 /nfs/dbraw/zinc/27/17/19/338271719.db2.gz QIXVLRASMFDTAW-RBUKOAKNSA-N 2 0 300.490 3.719 20 0 DHADRP Cc1ccc2cc(C[NH2+]CC[C@@H](C)[NH+]3CCCCC3)ccc2n1 ZINC000437988131 338327490 /nfs/dbraw/zinc/32/74/90/338327490.db2.gz AAZDVBFNDJTNMX-QGZVFWFLSA-N 2 0 311.473 3.897 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000438182896 338335352 /nfs/dbraw/zinc/33/53/52/338335352.db2.gz VCQBYWMAKRLTBB-ROUUACIJSA-N 2 0 304.478 3.698 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438201383 338336273 /nfs/dbraw/zinc/33/62/73/338336273.db2.gz PUQBKJNJZAHWBJ-PMACEKPBSA-N 2 0 300.490 3.818 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438201386 338336443 /nfs/dbraw/zinc/33/64/43/338336443.db2.gz PUQBKJNJZAHWBJ-WOJBJXKFSA-N 2 0 300.490 3.818 20 0 DHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000439010934 338358302 /nfs/dbraw/zinc/35/83/02/338358302.db2.gz ZFUISIBBXHPHTD-MOPGFXCFSA-N 2 0 323.569 3.599 20 0 DHADRP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000450419980 338399551 /nfs/dbraw/zinc/39/95/51/338399551.db2.gz BHEMFZXLCDNPPH-JKSUJKDBSA-N 2 0 300.437 3.762 20 0 DHADRP CSc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000442862349 338435760 /nfs/dbraw/zinc/43/57/60/338435760.db2.gz ZRVHFAKZECNZAV-CQSZACIVSA-N 2 0 304.503 3.934 20 0 DHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(C)ccc1OC ZINC000447570838 338557819 /nfs/dbraw/zinc/55/78/19/338557819.db2.gz WBFYPXMEVPMFOC-LJQANCHMSA-N 2 0 316.489 3.919 20 0 DHADRP C[C@@H](Cc1ccoc1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000449214888 338603032 /nfs/dbraw/zinc/60/30/32/338603032.db2.gz YVMHDMANAYOWPT-IVMQYODDSA-N 2 0 304.478 3.843 20 0 DHADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000449252336 338607082 /nfs/dbraw/zinc/60/70/82/338607082.db2.gz QIQNUJYRXKDNKN-IBGZPJMESA-N 2 0 301.478 3.856 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000449327441 338613296 /nfs/dbraw/zinc/61/32/96/338613296.db2.gz BGZBRSABDLKRFY-HHXXYDBFSA-N 2 0 304.453 3.562 20 0 DHADRP Cc1cccnc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449489001 338630059 /nfs/dbraw/zinc/63/00/59/338630059.db2.gz NHORMIMHLNSRHQ-PXNSSMCTSA-N 2 0 315.505 3.565 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450260518 338673984 /nfs/dbraw/zinc/67/39/84/338673984.db2.gz CXKPXXWHKRLRPT-INIZCTEOSA-N 2 0 302.453 3.866 20 0 DHADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000453082079 338791630 /nfs/dbraw/zinc/79/16/30/338791630.db2.gz MBFAJBGKUQLYBB-FMKPAKJESA-N 2 0 310.507 3.597 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)(C)C ZINC000453161546 338801240 /nfs/dbraw/zinc/80/12/40/338801240.db2.gz OQIDWTJSFIOCHO-KURKYZTESA-N 2 0 310.526 3.559 20 0 DHADRP CCC(C)(C)OCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000453403541 338838914 /nfs/dbraw/zinc/83/89/14/338838914.db2.gz GSGVUEDWFUFJOK-SJLPKXTDSA-N 2 0 310.526 3.824 20 0 DHADRP Clc1cccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000459364528 339024767 /nfs/dbraw/zinc/02/47/67/339024767.db2.gz SOKQUESSSKJFOG-APWZRJJASA-N 2 0 318.892 3.831 20 0 DHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@@H](C)O1 ZINC000459382624 339025998 /nfs/dbraw/zinc/02/59/98/339025998.db2.gz FXRSMRVJDICCTI-IAGOWNOFSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@H](C)O1 ZINC000459382623 339026118 /nfs/dbraw/zinc/02/61/18/339026118.db2.gz FXRSMRVJDICCTI-CALCHBBNSA-N 2 0 316.489 3.543 20 0 DHADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459409624 339027614 /nfs/dbraw/zinc/02/76/14/339027614.db2.gz RDTLIIQUULVOQU-APWZRJJASA-N 2 0 301.478 3.999 20 0 DHADRP C[C@@H](NC1CC[NH+](C2CC2)CC1)c1nc(C(C)(C)C)cs1 ZINC000459410308 339027757 /nfs/dbraw/zinc/02/77/57/339027757.db2.gz PDEQEAFLRNXZEV-GFCCVEGCSA-N 2 0 307.507 3.718 20 0 DHADRP CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459413888 339027931 /nfs/dbraw/zinc/02/79/31/339027931.db2.gz XXMWFLQBPCDRES-SFHVURJKSA-N 2 0 309.457 3.661 20 0 DHADRP Cc1ccncc1CCC[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC000459629995 339039255 /nfs/dbraw/zinc/03/92/55/339039255.db2.gz OIWUKFJKUDTRMF-UHFFFAOYSA-N 2 0 316.395 3.775 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459657318 339040989 /nfs/dbraw/zinc/04/09/89/339040989.db2.gz HRJZGFRNKXTOFN-CQSZACIVSA-N 2 0 311.454 3.777 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459658530 339041071 /nfs/dbraw/zinc/04/10/71/339041071.db2.gz KVDZKGGOLGVRCU-MSOLQXFVSA-N 2 0 320.440 3.854 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000459730518 339044838 /nfs/dbraw/zinc/04/48/38/339044838.db2.gz KMCMCFRPLOVJNE-MRXNPFEDSA-N 2 0 314.429 3.893 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459794902 339048976 /nfs/dbraw/zinc/04/89/76/339048976.db2.gz UWYUQRYMPMMDTA-VJSYINPZSA-N 2 0 316.489 3.558 20 0 DHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000462686254 339084183 /nfs/dbraw/zinc/08/41/83/339084183.db2.gz PZAHSMGVHBHASY-SJLPKXTDSA-N 2 0 304.478 3.685 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000462786909 339088613 /nfs/dbraw/zinc/08/86/13/339088613.db2.gz FCISUKPAYSOGEH-SLFFLAALSA-N 2 0 322.537 3.683 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000462799126 339089488 /nfs/dbraw/zinc/08/94/88/339089488.db2.gz RDAKIZVODNYYGC-FUMNGEBKSA-N 2 0 322.537 3.683 20 0 DHADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4C[C@H]4c4ccccc4)C[C@@H]3C2)cc1 ZINC000463216661 339109912 /nfs/dbraw/zinc/10/99/12/339109912.db2.gz WDXCNDATJMOYOG-LRSLUSHPSA-N 2 0 318.464 3.606 20 0 DHADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000464060404 339132406 /nfs/dbraw/zinc/13/24/06/339132406.db2.gz BVOYMBORCBBFEZ-GBESFXJTSA-N 2 0 310.526 3.683 20 0 DHADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C(C)C ZINC000466345359 339200021 /nfs/dbraw/zinc/20/00/21/339200021.db2.gz FASLOUVQRVNBCN-GBESFXJTSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccc2[nH+]ccc(NCc3ccc(CC[NH+](C)C)cc3)c2c1 ZINC000466446497 339205421 /nfs/dbraw/zinc/20/54/21/339205421.db2.gz QCYVTHLJVWMMAE-UHFFFAOYSA-N 2 0 319.452 3.681 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000467197182 339227954 /nfs/dbraw/zinc/22/79/54/339227954.db2.gz NPDPSUPKDRIOTD-LJQANCHMSA-N 2 0 322.537 3.922 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000467305295 339230685 /nfs/dbraw/zinc/23/06/85/339230685.db2.gz RHKUEPVTZUWWBT-KBXCAEBGSA-N 2 0 322.468 3.922 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000467389280 339236354 /nfs/dbraw/zinc/23/63/54/339236354.db2.gz PYRKHRSPQFWQLA-GOSISDBHSA-N 2 0 320.452 3.533 20 0 DHADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000467431738 339238231 /nfs/dbraw/zinc/23/82/31/339238231.db2.gz DDEBLXDPZVIVRX-PIKOESSRSA-N 2 0 300.490 3.923 20 0 DHADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC1CCCC1 ZINC000467434730 339238362 /nfs/dbraw/zinc/23/83/62/339238362.db2.gz WEZXFZVUGUGPKI-GOSISDBHSA-N 2 0 322.537 3.562 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000467444547 339239014 /nfs/dbraw/zinc/23/90/14/339239014.db2.gz HPVSMZYDXDHCJB-RYRKJORJSA-N 2 0 304.478 3.714 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000468355560 339260519 /nfs/dbraw/zinc/26/05/19/339260519.db2.gz HLZVCDZRSPGTNW-MCIONIFRSA-N 2 0 312.910 3.939 20 0 DHADRP CCCCOc1ccccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000468394984 339261730 /nfs/dbraw/zinc/26/17/30/339261730.db2.gz JURNTCALBAQPIV-SFHVURJKSA-N 2 0 316.489 3.783 20 0 DHADRP CCCCOc1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000468410528 339262395 /nfs/dbraw/zinc/26/23/95/339262395.db2.gz YILDJZNHXFJAHH-UHFFFAOYSA-N 2 0 304.478 3.639 20 0 DHADRP COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000468870060 339273169 /nfs/dbraw/zinc/27/31/69/339273169.db2.gz GXEQTVOQBBLPBJ-BZSNNMDCSA-N 2 0 318.505 3.679 20 0 DHADRP C(CC1CCOCC1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000469901374 339304164 /nfs/dbraw/zinc/30/41/64/339304164.db2.gz YJPJNJAJLUQGAD-HXUWFJFHSA-N 2 0 322.537 3.781 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000470017412 339308695 /nfs/dbraw/zinc/30/86/95/339308695.db2.gz YDFKMXZFFOKUEF-UHFFFAOYSA-N 2 0 318.461 3.986 20 0 DHADRP C[N@H+](Cc1cccc(OC2CCCC2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470020650 339308785 /nfs/dbraw/zinc/30/87/85/339308785.db2.gz JJCALWSMUFMEHR-JWTNVVGKSA-N 2 0 314.473 3.723 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000470165056 339312339 /nfs/dbraw/zinc/31/23/39/339312339.db2.gz CTSANDQPNJQAPN-KUHUBIRLSA-N 2 0 313.489 3.913 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000472267209 339368257 /nfs/dbraw/zinc/36/82/57/339368257.db2.gz CLVPEDWZYGIIEO-MAUKXSAKSA-N 2 0 324.896 3.834 20 0 DHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000472265731 339368267 /nfs/dbraw/zinc/36/82/67/339368267.db2.gz YTHMALQCEQQUOH-HZPDHXFCSA-N 2 0 324.896 3.834 20 0 DHADRP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472446659 339371977 /nfs/dbraw/zinc/37/19/77/339371977.db2.gz AMHFTTPTLWVJJA-XLIONFOSSA-N 2 0 300.490 3.671 20 0 DHADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000472569154 339373675 /nfs/dbraw/zinc/37/36/75/339373675.db2.gz YCRCGBWCZJJGPE-SZVBFZGTSA-N 2 0 304.453 3.878 20 0 DHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000473061828 339380903 /nfs/dbraw/zinc/38/09/03/339380903.db2.gz ZSHDKAHFAAAGGY-CEXWTWQISA-N 2 0 323.569 3.597 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474041213 339398589 /nfs/dbraw/zinc/39/85/89/339398589.db2.gz GKWWTXJJOWMTNW-CQSZACIVSA-N 2 0 302.453 3.912 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1CCCCC1 ZINC000474053306 339399479 /nfs/dbraw/zinc/39/94/79/339399479.db2.gz COONGGUPMQIKQW-YZGWKJHDSA-N 2 0 322.537 3.826 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474607372 339419694 /nfs/dbraw/zinc/41/96/94/339419694.db2.gz OAXVIAZQXWXOHN-PKOBYXMFSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000479559686 339541315 /nfs/dbraw/zinc/54/13/15/339541315.db2.gz OSFXPSVQXGCULB-ZACQAIPSSA-N 2 0 304.478 3.714 20 0 DHADRP CC1(C)CC([NH2+]Cc2ccc(OCC3CC3)cc2)CC(C)(C)[NH2+]1 ZINC000480657877 339581439 /nfs/dbraw/zinc/58/14/39/339581439.db2.gz IHMYDVTYPNFENN-UHFFFAOYSA-N 2 0 316.489 3.874 20 0 DHADRP CC(C)=CCC[C@@H](C)CC[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000482235767 339626870 /nfs/dbraw/zinc/62/68/70/339626870.db2.gz FDTNQCLJZQNKHQ-GOSISDBHSA-N 2 0 310.526 3.584 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000482515743 339634361 /nfs/dbraw/zinc/63/43/61/339634361.db2.gz YNNLALPXGOLPAP-LIRRHRJNSA-N 2 0 304.453 3.771 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000485706528 339710353 /nfs/dbraw/zinc/71/03/53/339710353.db2.gz CKPHNAQWPALKQA-UHFFFAOYSA-N 2 0 322.443 3.851 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491221894 339854075 /nfs/dbraw/zinc/85/40/75/339854075.db2.gz AYTPAZZGFBLBIW-UHFFFAOYSA-N 2 0 300.490 3.775 20 0 DHADRP C[C@@H]([NH2+]CCCCC1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000499624728 340041344 /nfs/dbraw/zinc/04/13/44/340041344.db2.gz JICIJKAQNSHNSR-IEBWSBKVSA-N 2 0 322.537 3.826 20 0 DHADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1C ZINC000499668823 340042479 /nfs/dbraw/zinc/04/24/79/340042479.db2.gz GAISXZXZNJIUEP-CXAGYDPISA-N 2 0 311.473 3.808 20 0 DHADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000500992084 340071735 /nfs/dbraw/zinc/07/17/35/340071735.db2.gz NKZJTFYYHXLLHC-HXUWFJFHSA-N 2 0 323.569 3.741 20 0 DHADRP CC(C)COCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000501107329 340074550 /nfs/dbraw/zinc/07/45/50/340074550.db2.gz BFADAHDABUZRHG-UHFFFAOYSA-N 2 0 318.505 3.503 20 0 DHADRP CC(C)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCCCCC1 ZINC000502269458 340098257 /nfs/dbraw/zinc/09/82/57/340098257.db2.gz ORVKPMODRYRVSL-OALUTQOASA-N 2 0 322.537 3.826 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000502480137 340105493 /nfs/dbraw/zinc/10/54/93/340105493.db2.gz GKNWDFFQOJKZES-XWSJACJDSA-N 2 0 310.526 3.682 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000502696752 340111111 /nfs/dbraw/zinc/11/11/11/340111111.db2.gz FREDLYKODNRUQW-YLJYHZDGSA-N 2 0 318.505 3.823 20 0 DHADRP CC[C@@H]1C[C@H](C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000503556787 340130397 /nfs/dbraw/zinc/13/03/97/340130397.db2.gz FWRLJHALJTYCHN-RTBURBONSA-N 2 0 322.537 3.970 20 0 DHADRP CCc1cc(OC)ccc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000503902647 340136154 /nfs/dbraw/zinc/13/61/54/340136154.db2.gz NLDJGEZZZYFWMM-UHFFFAOYSA-N 2 0 318.505 3.811 20 0 DHADRP CCc1cc(OC)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000503900586 340136219 /nfs/dbraw/zinc/13/62/19/340136219.db2.gz FHPMQWAHOZXAHH-UHFFFAOYSA-N 2 0 316.489 3.565 20 0 DHADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000504926292 340156479 /nfs/dbraw/zinc/15/64/79/340156479.db2.gz HLKJGDSPYMCRGL-OLZOCXBDSA-N 2 0 302.384 3.739 20 0 DHADRP c1csc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CCCC2)c1 ZINC000401071344 340162047 /nfs/dbraw/zinc/16/20/47/340162047.db2.gz AUSKHGRKMFUBIJ-KYHPRHEASA-N 2 0 304.503 3.957 20 0 DHADRP Fc1ccc(/C=C\C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000506872478 340203113 /nfs/dbraw/zinc/20/31/13/340203113.db2.gz BKQLUEKQJASYAO-ARJAWSKDSA-N 2 0 302.437 3.647 20 0 DHADRP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000506925103 340203824 /nfs/dbraw/zinc/20/38/24/340203824.db2.gz CVCZHSLFVYPLMR-UHFFFAOYSA-N 2 0 301.261 3.767 20 0 DHADRP CC(C)[NH+]1CCC([N@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000507349792 340217735 /nfs/dbraw/zinc/21/77/35/340217735.db2.gz QYLLMMOZTMUFKI-UHFFFAOYSA-N 2 0 324.896 3.914 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000507425858 340219184 /nfs/dbraw/zinc/21/91/84/340219184.db2.gz XCTZNCWRKZNJBP-OALUTQOASA-N 2 0 300.490 3.719 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000507439953 340219633 /nfs/dbraw/zinc/21/96/33/340219633.db2.gz DPLXVYBTQWTHEH-MSOLQXFVSA-N 2 0 304.453 3.783 20 0 DHADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000507452719 340220266 /nfs/dbraw/zinc/22/02/66/340220266.db2.gz XZFPWPIDSKWWIH-MOPGFXCFSA-N 2 0 300.490 3.953 20 0 DHADRP CC[C@H](CSC)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507520027 340224079 /nfs/dbraw/zinc/22/40/79/340224079.db2.gz MMBRNOUGMNTIDD-WJFTUGDTSA-N 2 0 318.530 3.628 20 0 DHADRP CC[C@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000507798872 340231972 /nfs/dbraw/zinc/23/19/72/340231972.db2.gz SMGTWDNEUJYRML-UXHICEINSA-N 2 0 322.537 3.780 20 0 DHADRP CC(C)COCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698934 340250787 /nfs/dbraw/zinc/25/07/87/340250787.db2.gz PQZHJMCCSVZVFC-AZUAARDMSA-N 2 0 318.505 3.549 20 0 DHADRP CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]CCCCF ZINC000509141370 340262199 /nfs/dbraw/zinc/26/21/99/340262199.db2.gz UWKGGPACIPHUKW-GOSISDBHSA-N 2 0 306.469 3.799 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000510013321 340285401 /nfs/dbraw/zinc/28/54/01/340285401.db2.gz JFEACBWZFKVEIO-XUDLPTGHSA-N 2 0 316.489 3.558 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000510345772 340296505 /nfs/dbraw/zinc/29/65/05/340296505.db2.gz HWYZTRJJYZMVLS-WQJNHMDYSA-N 2 0 316.489 3.558 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000510345774 340296547 /nfs/dbraw/zinc/29/65/47/340296547.db2.gz HWYZTRJJYZMVLS-XUDLPTGHSA-N 2 0 316.489 3.558 20 0 DHADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510651778 340304991 /nfs/dbraw/zinc/30/49/91/340304991.db2.gz NURMGCBKJJTKLW-UONOGXRCSA-N 2 0 316.411 3.956 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000510675222 340306006 /nfs/dbraw/zinc/30/60/06/340306006.db2.gz NKBZZWVABUJZBD-CQSZACIVSA-N 2 0 322.443 3.750 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510753226 340309790 /nfs/dbraw/zinc/30/97/90/340309790.db2.gz QHJQUKAMHNOBOQ-HZPDHXFCSA-N 2 0 324.459 3.996 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)cc1 ZINC000510752806 340309794 /nfs/dbraw/zinc/30/97/94/340309794.db2.gz NYWRGRAGPKHOJP-MJGOQNOKSA-N 2 0 322.468 3.635 20 0 DHADRP C[C@H](CC[NH2+]C/C=C/c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000511937710 340343225 /nfs/dbraw/zinc/34/32/25/340343225.db2.gz JEQWMLMKLRURJX-LLYBFZRZSA-N 2 0 308.416 3.832 20 0 DHADRP C[C@@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000512107161 340348679 /nfs/dbraw/zinc/34/86/79/340348679.db2.gz PTYBTVYROIZWHH-NFAHFFEMSA-N 2 0 308.416 3.690 20 0 DHADRP C[C@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000512107160 340348752 /nfs/dbraw/zinc/34/87/52/340348752.db2.gz PTYBTVYROIZWHH-LLYBFZRZSA-N 2 0 308.416 3.690 20 0 DHADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCCS3)CC2)cc1 ZINC000317069584 340700362 /nfs/dbraw/zinc/70/03/62/340700362.db2.gz MZOSCLDFZYONHQ-LJQANCHMSA-N 2 0 318.530 3.569 20 0 DHADRP CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000530218706 340782905 /nfs/dbraw/zinc/78/29/05/340782905.db2.gz MZZLRJNQHZBRIB-MAUKXSAKSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@H]([NH2+]CCC1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539064388 340869870 /nfs/dbraw/zinc/86/98/70/340869870.db2.gz BZVJOARNDWQVPC-INIZCTEOSA-N 2 0 304.478 3.858 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000542318110 341004342 /nfs/dbraw/zinc/00/43/42/341004342.db2.gz MHTNPMKJIRTTRH-UGSOOPFHSA-N 2 0 322.412 3.582 20 0 DHADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2cccnc12 ZINC000542466691 341008375 /nfs/dbraw/zinc/00/83/75/341008375.db2.gz QUJQEOTYQBKRFF-GOSISDBHSA-N 2 0 323.484 3.851 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000543092857 341031531 /nfs/dbraw/zinc/03/15/31/341031531.db2.gz GKZLOZKCCRXHPD-MRXNPFEDSA-N 2 0 324.534 3.502 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000543597986 341050316 /nfs/dbraw/zinc/05/03/16/341050316.db2.gz NTSQWGYNEHOLHO-KRWDZBQOSA-N 2 0 314.473 3.849 20 0 DHADRP C[N@@H+]1CCCC12CCN(CCSc1ccc(Cl)cc1)CC2 ZINC000544132334 341071518 /nfs/dbraw/zinc/07/15/18/341071518.db2.gz RFCKXINHCIYLGU-UHFFFAOYSA-N 2 0 324.921 3.992 20 0 DHADRP CCC[NH+]1CCC([NH2+]CC2(c3ccc(OC)cc3)CCC2)CC1 ZINC000544373186 341078844 /nfs/dbraw/zinc/07/88/44/341078844.db2.gz IUNVTTCAXTZAAL-UHFFFAOYSA-N 2 0 316.489 3.581 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000131434956 341087525 /nfs/dbraw/zinc/08/75/25/341087525.db2.gz OQMIJPFPAVIVGF-INIZCTEOSA-N 2 0 314.477 3.563 20 0 DHADRP CC(C)[NH+](CCCNCC1=Cc2ccccc2OC1)C(C)C ZINC000072742929 341103348 /nfs/dbraw/zinc/10/33/48/341103348.db2.gz BANWQNQYKMIASA-UHFFFAOYSA-N 2 0 302.462 3.561 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)CC[N@@H+]1C ZINC000131762410 341111188 /nfs/dbraw/zinc/11/11/88/341111188.db2.gz WBUAFJPWEYGIFA-CABCVRRESA-N 2 0 322.443 3.849 20 0 DHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000564314784 341201570 /nfs/dbraw/zinc/20/15/70/341201570.db2.gz GAWQITJUFMLZGG-VQTJNVASSA-N 2 0 322.537 3.704 20 0 DHADRP COc1ccccc1/C=C/C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134213726 341209626 /nfs/dbraw/zinc/20/96/26/341209626.db2.gz OMKZNOJLLCPYGU-SOFGYWHQSA-N 2 0 314.473 3.516 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547395537 341210759 /nfs/dbraw/zinc/21/07/59/341210759.db2.gz QHEZLFRXPNLEJP-LFGUQSLTSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]1CCCCC[NH+]1CC1(C[N@H+]2CCCCC[C@@H]2C)COC1 ZINC000547623641 341223660 /nfs/dbraw/zinc/22/36/60/341223660.db2.gz UGTMDBSPCZUTTP-HDICACEKSA-N 2 0 308.510 3.532 20 0 DHADRP c1ccc(SCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134907683 341226323 /nfs/dbraw/zinc/22/63/23/341226323.db2.gz XCNAOWGDBIVDQC-APWZRJJASA-N 2 0 316.514 3.727 20 0 DHADRP c1ccc(SCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134907661 341226382 /nfs/dbraw/zinc/22/63/82/341226382.db2.gz XCNAOWGDBIVDQC-VQIMIIECSA-N 2 0 316.514 3.727 20 0 DHADRP [NH3+]C1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000261532346 341266098 /nfs/dbraw/zinc/26/60/98/341266098.db2.gz AHBGPEDQTYQIKP-UHFFFAOYSA-N 2 0 310.441 3.625 20 0 DHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc2ncsc2c1 ZINC000548587410 341266403 /nfs/dbraw/zinc/26/64/03/341266403.db2.gz PEFNFSNJRITUOX-CYBMUJFWSA-N 2 0 315.486 3.821 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CCC2 ZINC000245501108 341297933 /nfs/dbraw/zinc/29/79/33/341297933.db2.gz ALMARLXULLIQIB-KXBFYZLASA-N 2 0 302.437 3.621 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC000245509342 341298418 /nfs/dbraw/zinc/29/84/18/341298418.db2.gz UJNNPCSTSJMDIZ-HUUCEWRRSA-N 2 0 308.441 3.605 20 0 DHADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839940 341304770 /nfs/dbraw/zinc/30/47/70/341304770.db2.gz DGOMEGAUBNZXKX-MRXNPFEDSA-N 2 0 313.272 3.911 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(C(F)(F)F)c2)C1 ZINC000550574268 341318812 /nfs/dbraw/zinc/31/88/12/341318812.db2.gz XTMIKBXBNRZARP-ZBFHGGJFSA-N 2 0 312.379 3.622 20 0 DHADRP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000245936800 341318941 /nfs/dbraw/zinc/31/89/41/341318941.db2.gz XNJMSWMHUQNHEJ-FXAWDEMLSA-N 2 0 315.505 3.815 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245946334 341319189 /nfs/dbraw/zinc/31/91/89/341319189.db2.gz BLPUYHIDPFNRSB-APWZRJJASA-N 2 0 304.478 3.714 20 0 DHADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000550823715 341323600 /nfs/dbraw/zinc/32/36/00/341323600.db2.gz VUWYZSRXAITMOF-RLLQIKCJSA-N 2 0 317.521 3.532 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000550855352 341324424 /nfs/dbraw/zinc/32/44/24/341324424.db2.gz DFAMVMATFCZVPJ-KBMXLJTQSA-N 2 0 314.395 3.652 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CC)CC2)[C@H](C)C1 ZINC000551212121 341334072 /nfs/dbraw/zinc/33/40/72/341334072.db2.gz SFTZZIOEIQJYTJ-MKXGPGLRSA-N 2 0 310.526 3.682 20 0 DHADRP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246248025 341337540 /nfs/dbraw/zinc/33/75/40/341337540.db2.gz DYEVZTVMLLBZGA-KXBFYZLASA-N 2 0 307.441 3.688 20 0 DHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000551789742 341351654 /nfs/dbraw/zinc/35/16/54/341351654.db2.gz SFFRXNYYDXKQPR-OGWHTMIXSA-N 2 0 300.490 3.921 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000246592215 341354151 /nfs/dbraw/zinc/35/41/51/341354151.db2.gz ZMSJUYYWDXPTLU-IAGOWNOFSA-N 2 0 304.478 3.714 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000246849010 341357751 /nfs/dbraw/zinc/35/77/51/341357751.db2.gz BHUZQYNPIBEPOY-KZNAEPCWSA-N 2 0 318.505 3.897 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(C(C)C)nc2C)C1 ZINC000247059746 341360545 /nfs/dbraw/zinc/36/05/45/341360545.db2.gz NSJUERSNGLDFBU-UKRRQHHQSA-N 2 0 309.523 3.957 20 0 DHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000247075944 341360691 /nfs/dbraw/zinc/36/06/91/341360691.db2.gz QMKLBTVAWSDDAK-JXFKEZNVSA-N 2 0 316.489 3.783 20 0 DHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1Cl ZINC000247350972 341363802 /nfs/dbraw/zinc/36/38/02/341363802.db2.gz PCKHUEYODRUWPF-BZUAXINKSA-N 2 0 324.896 3.880 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@H]2CCC[C@H]21 ZINC000552052761 341365359 /nfs/dbraw/zinc/36/53/59/341365359.db2.gz CDPRCVCHJIXDJB-RXABAKJHSA-N 2 0 302.437 3.534 20 0 DHADRP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000552243057 341380829 /nfs/dbraw/zinc/38/08/29/341380829.db2.gz MSEFUTXHMGFDGU-KRWDZBQOSA-N 2 0 306.881 3.812 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCOC2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000552246233 341381011 /nfs/dbraw/zinc/38/10/11/341381011.db2.gz NHUGLKGGQXJLMZ-SLFFLAALSA-N 2 0 322.537 3.968 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000248723778 341385181 /nfs/dbraw/zinc/38/51/81/341385181.db2.gz GYKLXTKKLSPNPL-GHMZBOCLSA-N 2 0 317.296 3.503 20 0 DHADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000248961438 341390849 /nfs/dbraw/zinc/39/08/49/341390849.db2.gz BEYQKVVHZNLIHP-JTDSTZFVSA-N 2 0 304.478 3.602 20 0 DHADRP C[C@@H](Nc1cc2c(cn1)CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552408094 341391848 /nfs/dbraw/zinc/39/18/48/341391848.db2.gz WBTMEMBSVUIIBK-UZLBHIALSA-N 2 0 321.468 3.893 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000249373008 341396796 /nfs/dbraw/zinc/39/67/96/341396796.db2.gz FAQSEVGYPMIXLP-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP CC(C)OCCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249379324 341396897 /nfs/dbraw/zinc/39/68/97/341396897.db2.gz QBVLQKSWUSEJPI-RUYXUALKSA-N 2 0 318.505 3.548 20 0 DHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000089214944 341402684 /nfs/dbraw/zinc/40/26/84/341402684.db2.gz ZOQMDAAYIBXNFZ-MRXNPFEDSA-N 2 0 301.478 3.856 20 0 DHADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090525414 341416467 /nfs/dbraw/zinc/41/64/67/341416467.db2.gz ORECOTZOJCLULL-AFKBCAQJSA-N 2 0 322.537 3.559 20 0 DHADRP C[C@H]([NH2+]C1(CN[C@H]2CCC[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000566481270 341559596 /nfs/dbraw/zinc/55/95/96/341559596.db2.gz GNIQBEWWALSEJQ-WDSOQIARSA-N 2 0 315.505 3.510 20 0 DHADRP c1[nH]c2ccccc2c1CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000156323133 341619775 /nfs/dbraw/zinc/61/97/75/341619775.db2.gz AMLLFGMEJCYTMG-UHFFFAOYSA-N 2 0 311.473 3.565 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000568023981 341646340 /nfs/dbraw/zinc/64/63/40/341646340.db2.gz ZPHDCSRDOMMXOP-HGKCTWBKSA-N 2 0 304.478 3.574 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000572682693 341700193 /nfs/dbraw/zinc/70/01/93/341700193.db2.gz RBWZDCCDHKMGFW-UHFFFAOYSA-N 2 0 316.489 3.782 20 0 DHADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000572849767 341706373 /nfs/dbraw/zinc/70/63/73/341706373.db2.gz HIUIGTIDUBMXJQ-CYBMUJFWSA-N 2 0 314.395 3.740 20 0 DHADRP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)(C)C ZINC000576617691 341855224 /nfs/dbraw/zinc/85/52/24/341855224.db2.gz GTMWJOQUKUBGLS-QYZOEREBSA-N 2 0 324.553 3.805 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000576755034 341861592 /nfs/dbraw/zinc/86/15/92/341861592.db2.gz BOCOMWKMOJAYAB-WMHOYKDJSA-N 2 0 324.468 3.994 20 0 DHADRP CC[NH2+]CC1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000577373057 341906516 /nfs/dbraw/zinc/90/65/16/341906516.db2.gz GRKKZECSLXUTNJ-UHFFFAOYSA-N 2 0 312.860 3.733 20 0 DHADRP CCC(CC)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCCC1 ZINC000577438883 341909966 /nfs/dbraw/zinc/90/99/66/341909966.db2.gz PRBLPJCXAYVBLJ-IOJLRTSASA-N 2 0 322.537 3.968 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000163593596 519653658 /nfs/dbraw/zinc/65/36/58/519653658.db2.gz BOAFQABGMCMQEQ-OAHLLOKOSA-N 2 0 307.457 3.629 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000182084590 519734092 /nfs/dbraw/zinc/73/40/92/519734092.db2.gz KSEHBVRFTRMQOK-KBXCAEBGSA-N 2 0 319.493 3.662 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337330086 519843265 /nfs/dbraw/zinc/84/32/65/519843265.db2.gz GEGPJQGSKOHWEY-QUCCMNQESA-N 2 0 315.505 3.819 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337325219 519847515 /nfs/dbraw/zinc/84/75/15/519847515.db2.gz BQSWSNCSABXPCD-VQIMIIECSA-N 2 0 301.478 3.572 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000368452034 520637130 /nfs/dbraw/zinc/63/71/30/520637130.db2.gz ZEWYAWKYSXMMLR-KSZLIROESA-N 2 0 320.525 3.546 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000131307706 520637508 /nfs/dbraw/zinc/63/75/08/520637508.db2.gz ZNDKBUNXDMLCCY-PONJGIIJSA-N 2 0 324.534 3.585 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000354025324 520694324 /nfs/dbraw/zinc/69/43/24/520694324.db2.gz BWUMQKCBIVZTQL-UHFFFAOYSA-N 2 0 318.505 3.626 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000163265540 521717613 /nfs/dbraw/zinc/71/76/13/521717613.db2.gz LJMNHFRCMSUMSH-QLFBSQMISA-N 2 0 317.502 3.720 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368528413 521985472 /nfs/dbraw/zinc/98/54/72/521985472.db2.gz QEQDPQWKVPCQDM-APWZRJJASA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000368611260 523113482 /nfs/dbraw/zinc/11/34/82/523113482.db2.gz HTCPQQQZHUHQQM-ZWKOTPCHSA-N 2 0 322.537 3.778 20 0 DHADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCCC1 ZINC000337264885 524047828 /nfs/dbraw/zinc/04/78/28/524047828.db2.gz STOKZOJUDRTQMQ-IEBWSBKVSA-N 2 0 315.505 3.819 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)CC[N@@H+]1C ZINC000155901116 524807484 /nfs/dbraw/zinc/80/74/84/524807484.db2.gz QMFHYXPMIFDECR-YJBOKZPZSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)CC[N@@H+]1C ZINC000155900876 524927146 /nfs/dbraw/zinc/92/71/46/524927146.db2.gz QMFHYXPMIFDECR-MAUKXSAKSA-N 2 0 304.478 3.574 20 0 DHADRP CSC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180151207 525290009 /nfs/dbraw/zinc/29/00/09/525290009.db2.gz WMFGMMUJQZEASN-AYHJJNSGSA-N 2 0 318.530 3.913 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000156751664 525341101 /nfs/dbraw/zinc/34/11/01/525341101.db2.gz YUEDWAKIWWULOX-CVEARBPZSA-N 2 0 304.478 3.650 20 0 DHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000268885325 525371772 /nfs/dbraw/zinc/37/17/72/525371772.db2.gz FUWRDWZNAGKJJG-CYBMUJFWSA-N 2 0 300.393 3.589 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774548 525391649 /nfs/dbraw/zinc/39/16/49/525391649.db2.gz FEEQLFLHQVAZBJ-HOTGVXAUSA-N 2 0 316.489 3.999 20 0 DHADRP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101900 525459402 /nfs/dbraw/zinc/45/94/02/525459402.db2.gz OVQZWVFQBYZINQ-RDJZCZTQSA-N 2 0 311.473 3.911 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000162584798 525459686 /nfs/dbraw/zinc/45/96/86/525459686.db2.gz KXJFHTANCCIINL-HNNXBMFYSA-N 2 0 316.420 3.617 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000363825974 526216280 /nfs/dbraw/zinc/21/62/80/526216280.db2.gz QAWMTEWASOHDJP-BJLQDIEVSA-N 2 0 323.484 3.951 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000363825990 526216470 /nfs/dbraw/zinc/21/64/70/526216470.db2.gz QAWMTEWASOHDJP-CMKODMSKSA-N 2 0 323.484 3.951 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000040591657 536465686 /nfs/dbraw/zinc/46/56/86/536465686.db2.gz XNZIAIIGZCSOGZ-CHWSQXEVSA-N 2 0 300.368 3.698 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000340475389 536491229 /nfs/dbraw/zinc/49/12/29/536491229.db2.gz QEKKDGOUABGPLY-INIZCTEOSA-N 2 0 304.478 3.576 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c(C)n1 ZINC000163580853 527308613 /nfs/dbraw/zinc/30/86/13/527308613.db2.gz AZYWOOFSRCUGCR-HNNXBMFYSA-N 2 0 318.509 3.502 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1ccccc1C ZINC000339493848 527568834 /nfs/dbraw/zinc/56/88/34/527568834.db2.gz QDQURDHTYQLZFV-UHFFFAOYSA-N 2 0 320.440 3.909 20 0 DHADRP CC(C)(O)c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000295513963 535325689 /nfs/dbraw/zinc/32/56/89/535325689.db2.gz UFDIDXBIHGNWKX-UHFFFAOYSA-N 2 0 318.505 3.660 20 0 DHADRP C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC1CCCCCC1 ZINC000441392417 1013108072 /nfs/dbraw/zinc/10/80/72/1013108072.db2.gz IUDCRSIRYGLXJC-FXAWDEMLSA-N 2 0 320.521 3.675 20 0 DHADRP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167963827 1013191319 /nfs/dbraw/zinc/19/13/19/1013191319.db2.gz FSGHXSLQCFUSGF-YQQQUEKLSA-N 2 0 314.473 3.580 20 0 DHADRP OCCC[C@H]1CCCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048632 1013197106 /nfs/dbraw/zinc/19/71/06/1013197106.db2.gz JCXIHKAPTVEGEP-RTBURBONSA-N 2 0 310.526 3.564 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037649119 1013206805 /nfs/dbraw/zinc/20/68/05/1013206805.db2.gz PLEPICBSSOILGR-QWHCGFSZSA-N 2 0 323.278 3.584 20 0 DHADRP C[C@@H](CCCCO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000296540095 1013211974 /nfs/dbraw/zinc/21/19/74/1013211974.db2.gz QXNMKIGUCROOJA-KKXNLOMOSA-N 2 0 318.505 3.570 20 0 DHADRP CC[C@H](c1ccccc1)N(C)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001167128624 1013247973 /nfs/dbraw/zinc/24/79/73/1013247973.db2.gz UVAPQTOLMZWIEZ-GOSISDBHSA-N 2 0 324.472 3.597 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)C(C)C ZINC000638702396 1013320863 /nfs/dbraw/zinc/32/08/63/1013320863.db2.gz MEXDHKQRKPHMOU-YZGWKJHDSA-N 2 0 316.489 3.615 20 0 DHADRP CSCc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000894417455 1013349839 /nfs/dbraw/zinc/34/98/39/1013349839.db2.gz NRCCVFJEZJDICS-JWTNVVGKSA-N 2 0 304.503 3.607 20 0 DHADRP CC[N@@H+](Cc1cccc(-c2ccncc2)c1)CC1CC[NH+](C)CC1 ZINC000894473436 1013378410 /nfs/dbraw/zinc/37/84/10/1013378410.db2.gz TWRYIECOUMTANW-UHFFFAOYSA-N 2 0 323.484 3.912 20 0 DHADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000754125998 1013410479 /nfs/dbraw/zinc/41/04/79/1013410479.db2.gz YVENZESFDQNMHQ-QLFBSQMISA-N 2 0 309.523 3.808 20 0 DHADRP [NH3+]Cc1cccc2ccn(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)c21 ZINC001167973884 1013412158 /nfs/dbraw/zinc/41/21/58/1013412158.db2.gz PYKLTOTXEDNGTQ-DFNIBXOVSA-N 2 0 309.457 3.678 20 0 DHADRP CC(C)(CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167978557 1013459165 /nfs/dbraw/zinc/45/91/65/1013459165.db2.gz PAGAMJOQHQVHDI-YQQQUEKLSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cncc(Cl)c1 ZINC001167981999 1013467425 /nfs/dbraw/zinc/46/74/25/1013467425.db2.gz SKGSZHVPBAHWMI-UBBHGXQRSA-N 2 0 319.880 3.791 20 0 DHADRP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000315380657 1013496188 /nfs/dbraw/zinc/49/61/88/1013496188.db2.gz DITXACQAXZTLOT-JKSUJKDBSA-N 2 0 304.478 3.855 20 0 DHADRP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC1(F)F ZINC001167985123 1013521322 /nfs/dbraw/zinc/52/13/22/1013521322.db2.gz VUNSKIHOKRWADY-KTFSGNIMSA-N 2 0 312.448 3.759 20 0 DHADRP Cc1cccc2c1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167985517 1013525023 /nfs/dbraw/zinc/52/50/23/1013525023.db2.gz XHHXVMUNAJCIFP-YOFSQIOKSA-N 2 0 310.485 3.759 20 0 DHADRP Cc1cc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)no1 ZINC001167985551 1013525291 /nfs/dbraw/zinc/52/52/91/1013525291.db2.gz YHUXENQRUAUUOI-RZRMAFQFSA-N 2 0 315.461 3.525 20 0 DHADRP Fc1ccc(C2CC([NH2+]Cc3ccc4c[nH+]cn4c3)C2)c(F)c1 ZINC000894847485 1013535395 /nfs/dbraw/zinc/53/53/95/1013535395.db2.gz HMNJZIMTLCIHIP-UHFFFAOYSA-N 2 0 313.351 3.648 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000894861345 1013558580 /nfs/dbraw/zinc/55/85/80/1013558580.db2.gz SGPKBCRLKHORBE-LBPRGKRZSA-N 2 0 300.368 3.585 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519769032 1013601025 /nfs/dbraw/zinc/60/10/25/1013601025.db2.gz HUAHGJPTKHIPGW-YQVWRLOYSA-N 2 0 320.521 3.721 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CS1 ZINC000655722155 1013664669 /nfs/dbraw/zinc/66/46/69/1013664669.db2.gz YHXQPCVZJAVJDS-NBMJBFSESA-N 2 0 318.530 3.913 20 0 DHADRP CC(C)Oc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000520206048 1013675636 /nfs/dbraw/zinc/67/56/36/1013675636.db2.gz RYUVYLJLJSEEGO-ROUUACIJSA-N 2 0 318.505 3.931 20 0 DHADRP C[C@H](CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CC(C)(C)C ZINC000655757779 1013693300 /nfs/dbraw/zinc/69/33/00/1013693300.db2.gz LGWCRLJRTSRWJG-SJLPKXTDSA-N 2 0 310.526 3.682 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)c(C)c2c1 ZINC000655806194 1013728342 /nfs/dbraw/zinc/72/83/42/1013728342.db2.gz QWOYHRXJKFBBKK-KFWWJZLASA-N 2 0 316.445 3.741 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803850 1013727817 /nfs/dbraw/zinc/72/78/17/1013727817.db2.gz FGKJJPYFEQHTAQ-KHYOSLBOSA-N 2 0 311.473 3.784 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000655807598 1013729790 /nfs/dbraw/zinc/72/97/90/1013729790.db2.gz QKYGAVICZJGJSW-JMSVASOKSA-N 2 0 300.368 3.696 20 0 DHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000121535325 1013757692 /nfs/dbraw/zinc/75/76/92/1013757692.db2.gz GDVJXWHZRRDDKX-JXFKEZNVSA-N 2 0 311.473 3.747 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000655837811 1013761627 /nfs/dbraw/zinc/76/16/27/1013761627.db2.gz WRLQSXUXOJWWSI-FUHIMQAGSA-N 2 0 315.505 3.645 20 0 DHADRP Fc1ccc2c(c1)CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995367 1013782457 /nfs/dbraw/zinc/78/24/57/1013782457.db2.gz COVSTWDQSARLDS-DFNIBXOVSA-N 2 0 300.421 3.547 20 0 DHADRP c1csc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167994708 1013779935 /nfs/dbraw/zinc/77/99/35/1013779935.db2.gz LREFCJYUSDKONW-WFVVYAPDSA-N 2 0 317.502 3.685 20 0 DHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccncc1F ZINC000340464682 1013826652 /nfs/dbraw/zinc/82/66/52/1013826652.db2.gz RXWCZCZCTYBXAL-HNNXBMFYSA-N 2 0 315.436 3.912 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340464660 1013827470 /nfs/dbraw/zinc/82/74/70/1013827470.db2.gz RQQZDGQDMIAVEJ-YJBOKZPZSA-N 2 0 304.478 3.870 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@]1(C)CCCO1 ZINC000340466104 1013827936 /nfs/dbraw/zinc/82/79/36/1013827936.db2.gz YIQAMOCBWFYWDK-CRAIPNDOSA-N 2 0 322.518 3.507 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@]1(C)CCCO1 ZINC000340466107 1013828190 /nfs/dbraw/zinc/82/81/90/1013828190.db2.gz YIQAMOCBWFYWDK-YJBOKZPZSA-N 2 0 322.518 3.507 20 0 DHADRP COc1ccc(C(C)C)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000655938853 1013837584 /nfs/dbraw/zinc/83/75/84/1013837584.db2.gz GFOLKZGIGFTLSP-GOSISDBHSA-N 2 0 316.489 3.640 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C(C)(C)C ZINC000340475772 1013858410 /nfs/dbraw/zinc/85/84/10/1013858410.db2.gz ASPHUBRDUMCTLM-ZWKOTPCHSA-N 2 0 304.478 3.726 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(C)(C)C ZINC000340477757 1013860237 /nfs/dbraw/zinc/86/02/37/1013860237.db2.gz HQRIUQOEZLRHJX-FUHWJXTLSA-N 2 0 304.478 3.726 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189006899 1013904405 /nfs/dbraw/zinc/90/44/05/1013904405.db2.gz AITBLNMRVHQBCT-ICSRJNTNSA-N 2 0 300.490 3.860 20 0 DHADRP CC[C@H](O)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340523541 1013914730 /nfs/dbraw/zinc/91/47/30/1013914730.db2.gz GKQIPTSOQGHVIT-MHJFOBGBSA-N 2 0 318.505 3.570 20 0 DHADRP CCC[C@H](C)[C@H](CC)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000539080370 1013941418 /nfs/dbraw/zinc/94/14/18/1013941418.db2.gz OUYJSIMUEZDPAU-ROUUACIJSA-N 2 0 310.526 3.826 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000122323128 1013964962 /nfs/dbraw/zinc/96/49/62/1013964962.db2.gz ZAADYTNDQSGKCG-YOEHRIQHSA-N 2 0 322.880 3.794 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683765201 1013965502 /nfs/dbraw/zinc/96/55/02/1013965502.db2.gz GROSZCNBWKSTGL-QGZVFWFLSA-N 2 0 311.473 3.837 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000580062032 1014009922 /nfs/dbraw/zinc/00/99/22/1014009922.db2.gz MMMFUIDPAIRNKP-CYBMUJFWSA-N 2 0 312.860 3.732 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCOc2cccc(C)c2)CC1 ZINC001173103834 1033538960 /nfs/dbraw/zinc/53/89/60/1033538960.db2.gz UWYQGSYMBBWSIU-UHFFFAOYSA-N 2 0 304.478 3.616 20 0 DHADRP c1cc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2cn1 ZINC000683831844 1014056580 /nfs/dbraw/zinc/05/65/80/1014056580.db2.gz JICCOQDAZHBMTP-PZJWPPBQSA-N 2 0 321.468 3.684 20 0 DHADRP C[C@@H]1C[C@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000361748388 1032080131 /nfs/dbraw/zinc/08/01/31/1032080131.db2.gz AWYVDZFFEQSTGP-BFYDXBDKSA-N 2 0 300.446 3.505 20 0 DHADRP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccoc1 ZINC001279221115 1014150414 /nfs/dbraw/zinc/15/04/14/1014150414.db2.gz HMOXUWWMOIGYDG-GOOCMWNKSA-N 2 0 316.367 3.707 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]CC2(CCOC)CCCCC2)CC1 ZINC000189249332 1014171102 /nfs/dbraw/zinc/17/11/02/1014171102.db2.gz ODWYHOGHMQLFLF-UHFFFAOYSA-N 2 0 310.526 3.685 20 0 DHADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3ccccc3)o2)C1 ZINC000580498998 1014176052 /nfs/dbraw/zinc/17/60/52/1014176052.db2.gz JDFJRNQVUNDBND-HKUYNNGSSA-N 2 0 310.441 3.863 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000125931700 1014223404 /nfs/dbraw/zinc/22/34/04/1014223404.db2.gz YOKVZXCRQYAHFZ-IBGZPJMESA-N 2 0 317.521 3.611 20 0 DHADRP Cc1ccc(CCC[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000353926861 1014228611 /nfs/dbraw/zinc/22/86/11/1014228611.db2.gz HDVGCXFLSYHINN-UHFFFAOYSA-N 2 0 303.494 3.567 20 0 DHADRP Cc1cc(C)c([C@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C)c1 ZINC000565716900 1014228987 /nfs/dbraw/zinc/22/89/87/1014228987.db2.gz IJGOJLRLCCDAJI-HQRMLTQVSA-N 2 0 316.489 3.501 20 0 DHADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261701180 1014254853 /nfs/dbraw/zinc/25/48/53/1014254853.db2.gz JYRFUEWAYKSTEW-IPMKNSEASA-N 2 0 309.457 3.635 20 0 DHADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763531 1032088881 /nfs/dbraw/zinc/08/88/81/1032088881.db2.gz FDOYDBDZMXDUKV-GUXCAODWSA-N 2 0 309.457 3.882 20 0 DHADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000520490200 1014267006 /nfs/dbraw/zinc/26/70/06/1014267006.db2.gz PKRZBNQZVXPCAE-RHDGDCLCSA-N 2 0 320.427 3.675 20 0 DHADRP COc1ccccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001203437528 1014297567 /nfs/dbraw/zinc/29/75/67/1014297567.db2.gz DSOOKLGJUUMYQI-ROUUACIJSA-N 2 0 302.462 3.534 20 0 DHADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560170 1014337824 /nfs/dbraw/zinc/33/78/24/1014337824.db2.gz INDUUXHRFMIMPG-GOSISDBHSA-N 2 0 319.518 3.718 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000580812816 1014368781 /nfs/dbraw/zinc/36/87/81/1014368781.db2.gz YUYPRSCRKMVULO-IBGZPJMESA-N 2 0 316.489 3.784 20 0 DHADRP C[C@H]1CC([NH2+]CCc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006356 1014416662 /nfs/dbraw/zinc/41/66/62/1014416662.db2.gz NNCQSVYORHSMOB-ROUUACIJSA-N 2 0 323.484 3.655 20 0 DHADRP C[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000123359986 1014488765 /nfs/dbraw/zinc/48/87/65/1014488765.db2.gz SYMIGOFRGBICLM-RHSMWYFYSA-N 2 0 315.486 3.552 20 0 DHADRP c1ccc(OC2CCCC2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262144595 1014494329 /nfs/dbraw/zinc/49/43/29/1014494329.db2.gz ZKOVCPPRMSIJJZ-UHFFFAOYSA-N 2 0 314.473 3.584 20 0 DHADRP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236451 1014507967 /nfs/dbraw/zinc/50/79/67/1014507967.db2.gz NGQTZBJFOUTRHJ-URLQWDBASA-N 2 0 302.462 3.657 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccnc2ccccc12 ZINC000665239453 1014518205 /nfs/dbraw/zinc/51/82/05/1014518205.db2.gz UGTNWUVMCXRYLZ-AEFFLSMTSA-N 2 0 311.473 3.678 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000665279940 1014663301 /nfs/dbraw/zinc/66/33/01/1014663301.db2.gz PTOMQGHOXRBYNT-NXEZZACHSA-N 2 0 305.285 3.535 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)[C@@H](C)C1 ZINC000581280761 1014676912 /nfs/dbraw/zinc/67/69/12/1014676912.db2.gz YEWSABVSNPQKDZ-LEAZDLGRSA-N 2 0 322.537 3.705 20 0 DHADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000442800191 1014736846 /nfs/dbraw/zinc/73/68/46/1014736846.db2.gz ZAFQZUZFOUXDIV-BVBHFADKSA-N 2 0 308.510 3.577 20 0 DHADRP C[NH2+]C[C@H](C)N[C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000665298176 1014750167 /nfs/dbraw/zinc/75/01/67/1014750167.db2.gz TUJRVEOPXBHREY-WFASDCNBSA-N 2 0 308.878 3.883 20 0 DHADRP CN(Cc1ccccc1Cl)Cc1cccc2c1CC[NH2+]C2 ZINC000123917651 1014783553 /nfs/dbraw/zinc/78/35/53/1014783553.db2.gz UPKNCYWXVDBTIU-UHFFFAOYSA-N 2 0 300.833 3.618 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](CCCO)c2ccccc2)CC1 ZINC000925121425 1014786577 /nfs/dbraw/zinc/78/65/77/1014786577.db2.gz DPUSCQJEDHAHRW-FQEVSTJZSA-N 2 0 318.505 3.600 20 0 DHADRP COCC1([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001168015603 1014856798 /nfs/dbraw/zinc/85/67/98/1014856798.db2.gz RQAMQGVYUUEXIF-IZZQQSIFSA-N 2 0 316.489 3.587 20 0 DHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000323802687 1014864048 /nfs/dbraw/zinc/86/40/48/1014864048.db2.gz GGTYJWWJSVCOKO-IBGZPJMESA-N 2 0 311.473 3.867 20 0 DHADRP Clc1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000581607633 1015045416 /nfs/dbraw/zinc/04/54/16/1015045416.db2.gz NAWPCCRKMHPMAY-HUUCEWRRSA-N 2 0 316.832 3.641 20 0 DHADRP c1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000656682580 1015062810 /nfs/dbraw/zinc/06/28/10/1015062810.db2.gz DPAYMVVLHZAVRM-NRFANRHFSA-N 2 0 321.468 3.571 20 0 DHADRP Cc1cccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000656684322 1015068858 /nfs/dbraw/zinc/06/88/58/1015068858.db2.gz VIASBVSFRIKPCK-GOSISDBHSA-N 2 0 323.484 3.953 20 0 DHADRP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784208 1015156932 /nfs/dbraw/zinc/15/69/32/1015156932.db2.gz ZZGVJBQJXYWWTI-HNNXBMFYSA-N 2 0 321.534 3.652 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788996 1015162760 /nfs/dbraw/zinc/16/27/60/1015162760.db2.gz HRXVJYUREQFPIZ-RTBURBONSA-N 2 0 316.489 3.971 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130075042 1015233495 /nfs/dbraw/zinc/23/34/95/1015233495.db2.gz BZKHFXYQAHAXGK-CABCVRRESA-N 2 0 306.416 3.819 20 0 DHADRP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000090402992 1015230858 /nfs/dbraw/zinc/23/08/58/1015230858.db2.gz CWSMVFDCFFTJET-QLFBSQMISA-N 2 0 309.523 3.860 20 0 DHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261594673 1015305349 /nfs/dbraw/zinc/30/53/49/1015305349.db2.gz AZRPDOSZBMAWKP-STQMWFEESA-N 2 0 300.368 3.698 20 0 DHADRP COCC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000093103690 1015312478 /nfs/dbraw/zinc/31/24/78/1015312478.db2.gz ZWQYQQOPIXEASL-UHFFFAOYSA-N 2 0 318.505 3.503 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000891611026 1015445505 /nfs/dbraw/zinc/44/55/05/1015445505.db2.gz FDNQDZGWCVACMX-UHFFFAOYSA-N 2 0 318.509 3.552 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000474604594 1015485616 /nfs/dbraw/zinc/48/56/16/1015485616.db2.gz RBTBCFYQEJANIH-KSZLIROESA-N 2 0 318.505 3.899 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCO1 ZINC001168042036 1015622528 /nfs/dbraw/zinc/62/25/28/1015622528.db2.gz YBCQKSQVTRLEHX-VYMYIBDJSA-N 2 0 316.489 3.585 20 0 DHADRP Fc1cccc(Cl)c1CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000475350145 1017160262 /nfs/dbraw/zinc/16/02/62/1017160262.db2.gz IVARELLIMPETKX-HNNXBMFYSA-N 2 0 324.871 3.829 20 0 DHADRP O[C@@H](CC1CCCC1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000474957962 1015727271 /nfs/dbraw/zinc/72/72/71/1015727271.db2.gz YDVYGLOKXNIEGA-FQEVSTJZSA-N 2 0 322.537 3.516 20 0 DHADRP C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000684558341 1015738106 /nfs/dbraw/zinc/73/81/06/1015738106.db2.gz GIJONUUGGGZYAE-YJLNNSPDSA-N 2 0 304.453 3.782 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2c(O)cccc12 ZINC000684564852 1015754423 /nfs/dbraw/zinc/75/44/23/1015754423.db2.gz DSTMKCLVSNVYME-CQSZACIVSA-N 2 0 301.434 3.863 20 0 DHADRP CCCn1ccnc1CCCN(C)c1cc[nH+]c2c(O)cccc12 ZINC000684590919 1015807508 /nfs/dbraw/zinc/80/75/08/1015807508.db2.gz SEIQSQHHVBPAIE-UHFFFAOYSA-N 2 0 324.428 3.616 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000280914685 1015809109 /nfs/dbraw/zinc/80/91/09/1015809109.db2.gz QPMKDQPITRYFGZ-PXNSSMCTSA-N 2 0 315.505 3.880 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281101558 1015830814 /nfs/dbraw/zinc/83/08/14/1015830814.db2.gz BJTQBFQOAVVVJD-IBGZPJMESA-N 2 0 313.420 3.523 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000281113197 1015834994 /nfs/dbraw/zinc/83/49/94/1015834994.db2.gz ABZYMNPKZFHCFI-HKUYNNGSSA-N 2 0 315.505 3.879 20 0 DHADRP Cc1ccc(-c2cc(CN3CCC[C@H]([NH+](C)C)CC3)on2)cc1 ZINC000277136030 1015903938 /nfs/dbraw/zinc/90/39/38/1015903938.db2.gz ITEPFPQWJIQJKV-KRWDZBQOSA-N 2 0 313.445 3.566 20 0 DHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262023433 1016074245 /nfs/dbraw/zinc/07/42/45/1016074245.db2.gz WKDRQTCEESXBCN-CYBMUJFWSA-N 2 0 300.368 3.575 20 0 DHADRP Clc1ccc2cccnc2c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666903239 1032141721 /nfs/dbraw/zinc/14/17/21/1032141721.db2.gz BGIDNENVKOZZOV-AWEZNQCLSA-N 2 0 303.837 3.510 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(F)F)c(F)c2)[C@H](C)C1 ZINC000892104379 1016229536 /nfs/dbraw/zinc/22/95/36/1016229536.db2.gz BZVABHSIOQFEIQ-WBMJQRKESA-N 2 0 314.395 3.925 20 0 DHADRP CC[NH+](CC)Cc1ccccc1CNCc1nccn1C(C)C ZINC000657299120 1016231638 /nfs/dbraw/zinc/23/16/38/1016231638.db2.gz ZXIFUVMGFGZVSU-UHFFFAOYSA-N 2 0 314.477 3.596 20 0 DHADRP Cc1cc([C@H]([NH2+]CCCC[NH+](C)C)c2cccnc2)ccc1F ZINC000346434727 1016394449 /nfs/dbraw/zinc/39/44/49/1016394449.db2.gz BQYYAFQTXSHGPA-IBGZPJMESA-N 2 0 315.436 3.550 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCCO1 ZINC000346459779 1016408733 /nfs/dbraw/zinc/40/87/33/1016408733.db2.gz MULCFRSZHHUNEF-HLIPFELVSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCCO1 ZINC000346459781 1016409921 /nfs/dbraw/zinc/40/99/21/1016409921.db2.gz MULCFRSZHHUNEF-MBOZVWFJSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000346500557 1016422710 /nfs/dbraw/zinc/42/27/10/1016422710.db2.gz ZPXPMKVIVJMFFB-FUHIMQAGSA-N 2 0 316.489 3.576 20 0 DHADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC000657365416 1016482097 /nfs/dbraw/zinc/48/20/97/1016482097.db2.gz AGUKVPCAYFSRPB-UHFFFAOYSA-N 2 0 320.440 3.626 20 0 DHADRP CCn1c2ccccc2c2cc(C[NH+]3CCC([NH3+])CC3)ccc21 ZINC000346629661 1016486951 /nfs/dbraw/zinc/48/69/51/1016486951.db2.gz BKPDYPRSQMAHAU-UHFFFAOYSA-N 2 0 307.441 3.738 20 0 DHADRP c1csc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000346629180 1016487314 /nfs/dbraw/zinc/48/73/14/1016487314.db2.gz RSMJYGBRJKHTCD-UHFFFAOYSA-N 2 0 309.438 3.619 20 0 DHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346666512 1016501360 /nfs/dbraw/zinc/50/13/60/1016501360.db2.gz YKFYBSVQBFXDDZ-OCCSQVGLSA-N 2 0 304.434 3.723 20 0 DHADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000892230310 1016529447 /nfs/dbraw/zinc/52/94/47/1016529447.db2.gz WZKGFMWGNGSXLI-CJNGLKHVSA-N 2 0 312.379 3.679 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000247977863 1016577614 /nfs/dbraw/zinc/57/76/14/1016577614.db2.gz LOUWWZLBLQCZNM-XJKSGUPXSA-N 2 0 314.395 3.568 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1OC ZINC000152397781 1016589299 /nfs/dbraw/zinc/58/92/99/1016589299.db2.gz BYQIEFOHXUWCAU-GUYCJALGSA-N 2 0 322.880 3.874 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152400541 1016612109 /nfs/dbraw/zinc/61/21/09/1016612109.db2.gz IOJOEZZAJYTGMM-GXTWGEPZSA-N 2 0 307.507 3.710 20 0 DHADRP C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)[C@@H]([NH3+])CSC3)cc1F ZINC000629738346 1016633867 /nfs/dbraw/zinc/63/38/67/1016633867.db2.gz UBBRDRQTCMSDDQ-BTDLBPIBSA-N 2 0 302.418 3.759 20 0 DHADRP Fc1cncc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C2CC2)c1 ZINC000281714296 1016679843 /nfs/dbraw/zinc/67/98/43/1016679843.db2.gz UFLRXWGDQGMAPS-IBGZPJMESA-N 2 0 319.468 3.918 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC2CCC2)CC1 ZINC000347058795 1016709598 /nfs/dbraw/zinc/70/95/98/1016709598.db2.gz RCGLRPVJHITLND-QGZVFWFLSA-N 2 0 308.510 3.532 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246679 1016711593 /nfs/dbraw/zinc/71/15/93/1016711593.db2.gz FGLXVDZLHLZTNG-STQMWFEESA-N 2 0 314.445 3.994 20 0 DHADRP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347094182 1016727213 /nfs/dbraw/zinc/72/72/13/1016727213.db2.gz QNCYIMJCGUBTFA-UKRRQHHQSA-N 2 0 302.805 3.949 20 0 DHADRP COCc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000657429176 1016747685 /nfs/dbraw/zinc/74/76/85/1016747685.db2.gz GGPXEFLGSWTKRP-GOEBONIOSA-N 2 0 322.518 3.637 20 0 DHADRP COCc1csc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000657429180 1016749182 /nfs/dbraw/zinc/74/91/82/1016749182.db2.gz GGPXEFLGSWTKRP-ZBFHGGJFSA-N 2 0 322.518 3.637 20 0 DHADRP CSc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173877175 1016793338 /nfs/dbraw/zinc/79/33/38/1016793338.db2.gz FSBAVLSVVOOLCV-QGZVFWFLSA-N 2 0 304.503 3.716 20 0 DHADRP CSc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173877192 1016793895 /nfs/dbraw/zinc/79/38/95/1016793895.db2.gz FSBAVLSVVOOLCV-KRWDZBQOSA-N 2 0 304.503 3.716 20 0 DHADRP COC(C)(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340240051 1016815628 /nfs/dbraw/zinc/81/56/28/1016815628.db2.gz RDZOSQODUWUTRI-UXDRXVOSSA-N 2 0 316.489 3.585 20 0 DHADRP Cc1ccc([C@@H](O)[C@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926408191 1016923191 /nfs/dbraw/zinc/92/31/91/1016923191.db2.gz RLSHFTGVYMHWCP-PXNSSMCTSA-N 2 0 318.505 3.517 20 0 DHADRP C[C@@H]1C[C@@H](n2ccc3c2CC[NH2+]C3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054668 1016934740 /nfs/dbraw/zinc/93/47/40/1016934740.db2.gz AENFNEJMINKBDF-XEMDLRDOSA-N 2 0 323.484 3.748 20 0 DHADRP C[NH+]1CCC2(CCC[N@@H+]2C/C=C\c2ccc(F)cc2F)CC1 ZINC000475123033 1016984512 /nfs/dbraw/zinc/98/45/12/1016984512.db2.gz WCXXYVBJDIIVDI-RQOWECAXSA-N 2 0 306.400 3.538 20 0 DHADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623399079 1017022502 /nfs/dbraw/zinc/02/25/02/1017022502.db2.gz XNGKAPPLDJRUGV-MRXNPFEDSA-N 2 0 306.881 3.834 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623402793 1017024025 /nfs/dbraw/zinc/02/40/25/1017024025.db2.gz ABEBULDNCLLUDC-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415004 1017032817 /nfs/dbraw/zinc/03/28/17/1017032817.db2.gz WZMZPDDTJGKQKH-INIZCTEOSA-N 2 0 304.478 3.651 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCCNc1ccccn1)CCC2 ZINC000361922570 1032154646 /nfs/dbraw/zinc/15/46/46/1032154646.db2.gz AOVBDTQUOHWZHS-GOSISDBHSA-N 2 0 311.429 3.559 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000118980512 1032255749 /nfs/dbraw/zinc/25/57/49/1032255749.db2.gz WXEINVDBBZXVMK-UHFFFAOYSA-N 3 0 323.569 3.696 20 0 DHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001168324693 1032271281 /nfs/dbraw/zinc/27/12/81/1032271281.db2.gz VEZYLNZLSSLDOY-LEOMRAHMSA-N 2 0 319.518 3.511 20 0 DHADRP Cc1cccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000120415956 1032367572 /nfs/dbraw/zinc/36/75/72/1032367572.db2.gz CTFCJHBFCBXPEZ-QGZVFWFLSA-N 2 0 312.457 3.786 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120394795 1032368430 /nfs/dbraw/zinc/36/84/30/1032368430.db2.gz OQCZGTYTDRTZHF-MAUKXSAKSA-N 2 0 322.518 3.563 20 0 DHADRP Cc1ncc([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000090418654 1032399678 /nfs/dbraw/zinc/39/96/78/1032399678.db2.gz VAUWVSJKTQIPFJ-CYBMUJFWSA-N 2 0 307.507 3.899 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924687652 1033294695 /nfs/dbraw/zinc/29/46/95/1033294695.db2.gz XPPPVTBDVGETMU-QKLQHJQFSA-N 2 0 322.537 3.539 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171336163 1032439172 /nfs/dbraw/zinc/43/91/72/1032439172.db2.gz AKGALPUAYKVZKC-RHSMWYFYSA-N 2 0 324.459 3.922 20 0 DHADRP CC(C)(C[NH2+]C1CC(c2ccc(F)cc2)C1)C[NH+]1CCCC1 ZINC000477922376 1033369661 /nfs/dbraw/zinc/36/96/61/1033369661.db2.gz YNMOLDGBAGOFIE-UHFFFAOYSA-N 2 0 304.453 3.783 20 0 DHADRP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2ncsc2c1 ZINC000623496508 1017080465 /nfs/dbraw/zinc/08/04/65/1017080465.db2.gz ZEYYWALHEUDYPV-TZMCWYRMSA-N 2 0 303.475 3.820 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684953396 1017084869 /nfs/dbraw/zinc/08/48/69/1017084869.db2.gz MLPYWTDVXOKXFV-ZIFCJYIRSA-N 2 0 315.505 3.807 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000121688184 1032460562 /nfs/dbraw/zinc/46/05/62/1032460562.db2.gz ABVVXWTZNZXUOI-CQSZACIVSA-N 2 0 308.441 3.607 20 0 DHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000121688048 1032461433 /nfs/dbraw/zinc/46/14/33/1032461433.db2.gz ABVVXWTZNZXUOI-AWEZNQCLSA-N 2 0 308.441 3.607 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000075007963 1017288159 /nfs/dbraw/zinc/28/81/59/1017288159.db2.gz HQFCYOOMEXGEPZ-GOSISDBHSA-N 2 0 318.505 3.613 20 0 DHADRP C[N@@H+](Cc1cccc(-c2ccccn2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253742 1032485574 /nfs/dbraw/zinc/48/55/74/1032485574.db2.gz NVHGYBQXYZLNFR-GOSISDBHSA-N 2 0 309.457 3.522 20 0 DHADRP CCO[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168060231 1017098585 /nfs/dbraw/zinc/09/85/85/1017098585.db2.gz VVKHZAQBTPYIHB-PIKOESSRSA-N 2 0 316.489 3.539 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756719 1017302349 /nfs/dbraw/zinc/30/23/49/1017302349.db2.gz OIUWHHFGOJRXOW-UWVAXJGDSA-N 2 0 315.505 3.813 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccnc2)cc1F ZINC000092740897 1032507796 /nfs/dbraw/zinc/50/77/96/1032507796.db2.gz DUILJRAIIXDHCK-CYBMUJFWSA-N 2 0 310.376 3.566 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@H](C)C1 ZINC000122319249 1032534660 /nfs/dbraw/zinc/53/46/60/1032534660.db2.gz PJCQWISJRPTSQR-GSEOLPGOSA-N 2 0 322.537 3.682 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000773076419 1032547968 /nfs/dbraw/zinc/54/79/68/1032547968.db2.gz OBNQJWJJNZBFET-IRXDYDNUSA-N 2 0 316.489 3.640 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000773081533 1032553004 /nfs/dbraw/zinc/55/30/04/1032553004.db2.gz CXSZTTHXWPSVQZ-RBUKOAKNSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000537647436 1032577276 /nfs/dbraw/zinc/57/72/76/1032577276.db2.gz GVPBWULXTDTWBH-OALUTQOASA-N 2 0 300.490 3.844 20 0 DHADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424260926 1011953601 /nfs/dbraw/zinc/95/36/01/1011953601.db2.gz OJTTWAWGIKGVAX-INIZCTEOSA-N 2 0 317.502 3.604 20 0 DHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C[C@H]2C1 ZINC000424325668 1011981817 /nfs/dbraw/zinc/98/18/17/1011981817.db2.gz XZBRVJGSQGRPNU-SGWQFOAVSA-N 2 0 320.521 3.577 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000061626138 1011984723 /nfs/dbraw/zinc/98/47/23/1011984723.db2.gz DBZZOGIHFMKKAR-GFCCVEGCSA-N 2 0 300.368 3.525 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000579731821 1012002304 /nfs/dbraw/zinc/00/23/04/1012002304.db2.gz OMFYHWVHZGHKKX-OALUTQOASA-N 2 0 310.441 3.625 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000424340254 1012003435 /nfs/dbraw/zinc/00/34/35/1012003435.db2.gz XQURRSKBYXSYML-HSBZDZAISA-N 2 0 310.869 3.872 20 0 DHADRP Fc1cccc2c1CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001171405432 1032594883 /nfs/dbraw/zinc/59/48/83/1032594883.db2.gz UWCFPOSKRBGLNF-QGZVFWFLSA-N 2 0 304.453 3.539 20 0 DHADRP C[C@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000424370394 1012011881 /nfs/dbraw/zinc/01/18/81/1012011881.db2.gz CFUNXMBHNWYQAT-CABCVRRESA-N 2 0 306.881 3.908 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424374007 1012012164 /nfs/dbraw/zinc/01/21/64/1012012164.db2.gz KNLRDNNZQZGCOV-IAGOWNOFSA-N 2 0 309.542 3.525 20 0 DHADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c2ccccc12 ZINC000424379793 1012012195 /nfs/dbraw/zinc/01/21/95/1012012195.db2.gz PFVDPKGSVAHDFM-INIZCTEOSA-N 2 0 324.468 3.812 20 0 DHADRP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000387588840 1012052438 /nfs/dbraw/zinc/05/24/38/1012052438.db2.gz FJBZUZDDMWPKEV-JMSVASOKSA-N 2 0 316.367 3.705 20 0 DHADRP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000387589081 1012052859 /nfs/dbraw/zinc/05/28/59/1012052859.db2.gz FJBZUZDDMWPKEV-LALPHHSUSA-N 2 0 316.367 3.705 20 0 DHADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000387589084 1012054881 /nfs/dbraw/zinc/05/48/81/1012054881.db2.gz FJBZUZDDMWPKEV-YWPYICTPSA-N 2 0 316.367 3.705 20 0 DHADRP Fc1ccc(-c2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)s2)cc1 ZINC000666952302 1032599536 /nfs/dbraw/zinc/59/95/36/1032599536.db2.gz PTQYIDVPSJFTIE-KRWDZBQOSA-N 2 0 316.445 3.786 20 0 DHADRP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000643547901 1012121227 /nfs/dbraw/zinc/12/12/27/1012121227.db2.gz KNDSDBUCHRCYAK-WMLDXEAASA-N 2 0 308.416 3.926 20 0 DHADRP Fc1ccc(C2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000643549162 1012123641 /nfs/dbraw/zinc/12/36/41/1012123641.db2.gz KWEUJBQSUXVKHV-IFGVMOBSSA-N 2 0 316.464 3.830 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000666955527 1032613368 /nfs/dbraw/zinc/61/33/68/1032613368.db2.gz WUCTXIGLMHBQPL-DOMZBBRYSA-N 2 0 312.379 3.541 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCCCCC[NH3+] ZINC001172850862 1033421428 /nfs/dbraw/zinc/42/14/28/1033421428.db2.gz DHBPQOWXVYFLHU-CYBMUJFWSA-N 2 0 300.849 3.909 20 0 DHADRP CSc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290987 1012462543 /nfs/dbraw/zinc/46/25/43/1012462543.db2.gz AUWGMWWOGOYNFY-INIZCTEOSA-N 2 0 304.503 3.620 20 0 DHADRP CS[C@H]1CC[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000425370332 1012502871 /nfs/dbraw/zinc/50/28/71/1012502871.db2.gz NWXBDFNNMDKVEC-IRXDYDNUSA-N 2 0 304.503 3.525 20 0 DHADRP CC(C)C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccncc1 ZINC000658354027 1012554328 /nfs/dbraw/zinc/55/43/28/1012554328.db2.gz VRZMAMWVMWGYBX-FQEVSTJZSA-N 2 0 315.505 3.880 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)s2)cs1 ZINC000515497943 1012638486 /nfs/dbraw/zinc/63/84/86/1012638486.db2.gz CRUIECBZDDIKPG-STQMWFEESA-N 2 0 321.515 3.582 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000538406855 1012656008 /nfs/dbraw/zinc/65/60/08/1012656008.db2.gz WPZCGELKMAHQOG-ZWKOTPCHSA-N 2 0 304.865 3.828 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1F ZINC000123624084 1032652227 /nfs/dbraw/zinc/65/22/27/1032652227.db2.gz KFRBDYJUWZSJMX-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000517065752 1012899431 /nfs/dbraw/zinc/89/94/31/1012899431.db2.gz AAGIMHJGPMVFFL-FQEVSTJZSA-N 2 0 300.490 3.638 20 0 DHADRP Cc1nc2ccc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc2s1 ZINC000517263388 1012951163 /nfs/dbraw/zinc/95/11/63/1012951163.db2.gz JMLDKAVFGHBWKO-DOTOQJQBSA-N 2 0 315.486 3.521 20 0 DHADRP Cc1nc2ccc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc2s1 ZINC000517263390 1012952721 /nfs/dbraw/zinc/95/27/21/1012952721.db2.gz JMLDKAVFGHBWKO-RDJZCZTQSA-N 2 0 315.486 3.521 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425918655 1012958533 /nfs/dbraw/zinc/95/85/33/1012958533.db2.gz ICNGOSKPRYRFBG-NWDGAFQWSA-N 2 0 303.277 3.712 20 0 DHADRP COCC[C@H](c1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000339869037 1012983481 /nfs/dbraw/zinc/98/34/81/1012983481.db2.gz YGYRJRZTDHOOMO-RBUKOAKNSA-N 2 0 304.478 3.570 20 0 DHADRP COCC[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000339870044 1012984567 /nfs/dbraw/zinc/98/45/67/1012984567.db2.gz XHEGLLUYUMXRAV-FQEVSTJZSA-N 2 0 316.489 3.572 20 0 DHADRP COCC[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000339870045 1012985341 /nfs/dbraw/zinc/98/53/41/1012985341.db2.gz XHEGLLUYUMXRAV-HXUWFJFHSA-N 2 0 316.489 3.572 20 0 DHADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000425950305 1012998846 /nfs/dbraw/zinc/99/88/46/1012998846.db2.gz JQQLODZLPMRUKZ-SWLSCSKDSA-N 2 0 318.383 3.824 20 0 DHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425955494 1013013053 /nfs/dbraw/zinc/01/30/53/1013013053.db2.gz RWSFZPGKJRFOOP-XJKSGUPXSA-N 2 0 300.437 3.664 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1(C)C ZINC000623571303 1017116407 /nfs/dbraw/zinc/11/64/07/1017116407.db2.gz SAKKCKHBHRFEIQ-HRCADAONSA-N 2 0 308.510 3.575 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000178047555 1017152940 /nfs/dbraw/zinc/15/29/40/1017152940.db2.gz ZJXPMFONGCVSGN-KEYYUXOJSA-N 2 0 302.487 3.762 20 0 DHADRP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656748 1017155023 /nfs/dbraw/zinc/15/50/23/1017155023.db2.gz AWGTVCXBAVMMEF-FSEPTYSPSA-N 2 0 316.489 3.558 20 0 DHADRP CCCC[NH+]1CCC([N@H+](C)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171446015 1032689489 /nfs/dbraw/zinc/68/94/89/1032689489.db2.gz NVBUISPBJYSLNJ-SFHVURJKSA-N 2 0 318.480 3.879 20 0 DHADRP c1cnc2c(c1)cccc2C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835211 1017365689 /nfs/dbraw/zinc/36/56/89/1017365689.db2.gz NREUIUYHEWMUSE-KRWDZBQOSA-N 2 0 309.457 3.543 20 0 DHADRP c1cnc2c(c1)cccc2C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835207 1017365931 /nfs/dbraw/zinc/36/59/31/1017365931.db2.gz NREUIUYHEWMUSE-QGZVFWFLSA-N 2 0 309.457 3.543 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)[C@H](C)C1 ZINC000475555864 1017425125 /nfs/dbraw/zinc/42/51/25/1017425125.db2.gz ZEKAZLBDUZNWOA-OPNNQBFTSA-N 2 0 304.453 3.782 20 0 DHADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000237308574 1017449639 /nfs/dbraw/zinc/44/96/39/1017449639.db2.gz VXEDUSFASRYRAK-IRXDYDNUSA-N 2 0 304.478 3.567 20 0 DHADRP CC(C)(F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716726676 1032700988 /nfs/dbraw/zinc/70/09/88/1032700988.db2.gz GEQOTLPLHGKUIS-KSZLIROESA-N 2 0 304.453 3.767 20 0 DHADRP CCSCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680877 1032703262 /nfs/dbraw/zinc/70/32/62/1032703262.db2.gz IAOGVIOPWJAHKU-FHWLQOOXSA-N 2 0 318.530 3.772 20 0 DHADRP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000623825657 1017524339 /nfs/dbraw/zinc/52/43/39/1017524339.db2.gz IACXXXHMQNRSRM-ZDUSSCGKSA-N 2 0 304.400 3.573 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623863870 1017540860 /nfs/dbraw/zinc/54/08/60/1017540860.db2.gz AUTOYQRLWGEDQB-GJZGRUSLSA-N 2 0 307.507 3.622 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623855014 1017545261 /nfs/dbraw/zinc/54/52/61/1017545261.db2.gz OQRGVFSDTXMSOL-QFBILLFUSA-N 2 0 304.478 3.576 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623855015 1017546613 /nfs/dbraw/zinc/54/66/13/1017546613.db2.gz OQRGVFSDTXMSOL-VQIMIIECSA-N 2 0 304.478 3.576 20 0 DHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000623877339 1017548748 /nfs/dbraw/zinc/54/87/48/1017548748.db2.gz ZAOPVIRRDQTWSJ-VQIMIIECSA-N 2 0 304.478 3.574 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCCO1 ZINC000623880907 1017554526 /nfs/dbraw/zinc/55/45/26/1017554526.db2.gz XUIUUFUERAVTID-YJBOKZPZSA-N 2 0 322.518 3.507 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)c1 ZINC000623867283 1017556938 /nfs/dbraw/zinc/55/69/38/1017556938.db2.gz WHTKVBLKVBRIMZ-LPHOPBHVSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c1 ZINC000857901498 1032708301 /nfs/dbraw/zinc/70/83/01/1032708301.db2.gz KLEWDTCFLLFQDI-INIZCTEOSA-N 2 0 315.848 3.574 20 0 DHADRP Cc1cccc(C)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613903 1017583408 /nfs/dbraw/zinc/58/34/08/1017583408.db2.gz WFZCPVQDPTZMMU-UHFFFAOYSA-N 2 0 323.484 3.700 20 0 DHADRP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000623928207 1017585019 /nfs/dbraw/zinc/58/50/19/1017585019.db2.gz HYFGSVXTQZMPHI-CYBMUJFWSA-N 2 0 323.278 3.670 20 0 DHADRP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444636463 1017593758 /nfs/dbraw/zinc/59/37/58/1017593758.db2.gz NKORDLHMFVGTEG-FQEVSTJZSA-N 2 0 300.490 3.960 20 0 DHADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444623580 1017597367 /nfs/dbraw/zinc/59/73/67/1017597367.db2.gz YJSVFLOCNJXKRG-QUCCMNQESA-N 2 0 300.490 3.816 20 0 DHADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2ncsc2c1 ZINC000444641870 1017613758 /nfs/dbraw/zinc/61/37/58/1017613758.db2.gz SFHUGWAAHUYKKW-AWEZNQCLSA-N 2 0 303.475 3.823 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454597 1032716083 /nfs/dbraw/zinc/71/60/83/1032716083.db2.gz VJIJJSIUHTXPCM-WMLDXEAASA-N 2 0 322.443 3.676 20 0 DHADRP COCCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000624123593 1017694908 /nfs/dbraw/zinc/69/49/08/1017694908.db2.gz ORXJYKVEHDSGFQ-VQIMIIECSA-N 2 0 322.468 3.615 20 0 DHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121104 1017696079 /nfs/dbraw/zinc/69/60/79/1017696079.db2.gz OAHNKYOEVQAIDN-IXDOHACOSA-N 2 0 304.478 3.509 20 0 DHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1cc[nH+]c(N2CCCCC2)c1 ZINC001167624826 1017696770 /nfs/dbraw/zinc/69/67/70/1017696770.db2.gz GTEZHVXUUHIMAE-UHFFFAOYSA-N 2 0 316.493 3.557 20 0 DHADRP COc1ccc([C@@H]2C[C@@H](C)C[N@@H+]2CCCn2ccnc2C)cc1 ZINC000367168331 1017703890 /nfs/dbraw/zinc/70/38/90/1017703890.db2.gz PTRSYJWQOVWRQO-BEFAXECRSA-N 2 0 313.445 3.673 20 0 DHADRP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000181168464 1017729172 /nfs/dbraw/zinc/72/91/72/1017729172.db2.gz SCGKRPFZMMSPDV-JXFKEZNVSA-N 2 0 324.468 3.935 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccccc1 ZINC000666977304 1032723904 /nfs/dbraw/zinc/72/39/04/1032723904.db2.gz BHHGPWSQSRRNGT-OAHLLOKOSA-N 2 0 323.362 3.670 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181866768 1017825159 /nfs/dbraw/zinc/82/51/59/1017825159.db2.gz MKQPOYFYWVIHRO-QRVBRYPASA-N 2 0 322.537 3.538 20 0 DHADRP C[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)C1CC[NH+](C)CC1 ZINC000090941073 1017832744 /nfs/dbraw/zinc/83/27/44/1017832744.db2.gz ROEKFAUYTRADHZ-AWEZNQCLSA-N 2 0 306.881 3.692 20 0 DHADRP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000445405520 1017847838 /nfs/dbraw/zinc/84/78/38/1017847838.db2.gz UBUFPXSSNFYCKR-AEFFLSMTSA-N 2 0 312.501 3.900 20 0 DHADRP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000445405529 1017849056 /nfs/dbraw/zinc/84/90/56/1017849056.db2.gz UBUFPXSSNFYCKR-SJLPKXTDSA-N 2 0 312.501 3.900 20 0 DHADRP C[N@H+](Cc1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000358367038 1017875536 /nfs/dbraw/zinc/87/55/36/1017875536.db2.gz IXGOMMFGGBDQCU-FQEVSTJZSA-N 2 0 324.468 3.840 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000121411233 1017885989 /nfs/dbraw/zinc/88/59/89/1017885989.db2.gz LXGBGRLTIRQAKB-MLGOLLRUSA-N 2 0 319.449 3.793 20 0 DHADRP Cc1[nH+]c2ccccc2c(N2CCC3(CCC[N@H+]3C)CC2)c1C ZINC000445601346 1017920606 /nfs/dbraw/zinc/92/06/06/1017920606.db2.gz RBOLDMLQCGUMFP-UHFFFAOYSA-N 2 0 309.457 3.916 20 0 DHADRP C[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171305059 1017921021 /nfs/dbraw/zinc/92/10/21/1017921021.db2.gz RAJDYECEYIHHTQ-KURKYZTESA-N 2 0 316.489 3.569 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2C2CC2)C[C@H](C)O1 ZINC000674334582 1017954929 /nfs/dbraw/zinc/95/49/29/1017954929.db2.gz YIUGXDXFUFXOLX-CALCHBBNSA-N 2 0 316.489 3.543 20 0 DHADRP C[C@@H](CCC1CCCC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067693 1018022588 /nfs/dbraw/zinc/02/25/88/1018022588.db2.gz PKKBAAYLJIJVNB-KRWDZBQOSA-N 2 0 322.537 3.826 20 0 DHADRP CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC1(C)C ZINC000658069257 1018027363 /nfs/dbraw/zinc/02/73/63/1018027363.db2.gz DZIYZMFVFZRKMM-RTBURBONSA-N 2 0 322.537 3.682 20 0 DHADRP C[N@H+](CCCO)C1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525109755 1018167171 /nfs/dbraw/zinc/16/71/71/1018167171.db2.gz MKBCYGKNHWGVRH-UHFFFAOYSA-N 2 0 324.553 3.618 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCC(F)CC1 ZINC000657743322 1018204407 /nfs/dbraw/zinc/20/44/07/1018204407.db2.gz HKJWOKHXBCYJAE-ZLPCBKJTSA-N 2 0 322.468 3.633 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000380913141 1018210163 /nfs/dbraw/zinc/21/01/63/1018210163.db2.gz OHDPIZGKHNCUAS-UMGGQSCQSA-N 2 0 300.490 3.923 20 0 DHADRP Cn1cc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000658215803 1018282544 /nfs/dbraw/zinc/28/25/44/1018282544.db2.gz XXMUFBZFRTUBQE-UHFFFAOYSA-N 2 0 313.489 3.573 20 0 DHADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000764601622 1018328391 /nfs/dbraw/zinc/32/83/91/1018328391.db2.gz XAMYNKVAPLUECU-MSOLQXFVSA-N 2 0 308.510 3.580 20 0 DHADRP c1cn2c(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000427849667 1018337411 /nfs/dbraw/zinc/33/74/11/1018337411.db2.gz FZCOKDLBDIMYOM-PMACEKPBSA-N 2 0 323.484 3.979 20 0 DHADRP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000282524438 1018366482 /nfs/dbraw/zinc/36/64/82/1018366482.db2.gz ZXDSOJCCQRNFLX-INIZCTEOSA-N 2 0 323.484 3.632 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000383405086 1018399473 /nfs/dbraw/zinc/39/94/73/1018399473.db2.gz QYAUVCFLXDIZEI-IBGZPJMESA-N 2 0 324.468 3.621 20 0 DHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447554287 1018416016 /nfs/dbraw/zinc/41/60/16/1018416016.db2.gz UYFVBDZUXMALTD-CYBMUJFWSA-N 2 0 322.880 3.874 20 0 DHADRP CC(C)[N@@H+]1CC[C@H](CNCc2cscc2C(F)(F)F)C1 ZINC000564414046 1018428851 /nfs/dbraw/zinc/42/88/51/1018428851.db2.gz CPLFWRUPWQGIOH-LLVKDONJSA-N 2 0 306.397 3.587 20 0 DHADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000447580740 1018440004 /nfs/dbraw/zinc/44/00/04/1018440004.db2.gz RGAKXAVVOLOSRH-FQEVSTJZSA-N 2 0 316.489 3.856 20 0 DHADRP C[C@@H](CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000447726539 1018460285 /nfs/dbraw/zinc/46/02/85/1018460285.db2.gz HDBRFHBRJLYTND-RBUKOAKNSA-N 2 0 300.490 3.988 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CC1(C)C ZINC000785478644 1018477060 /nfs/dbraw/zinc/47/70/60/1018477060.db2.gz XWSBJOZILBGVRS-DNVCBOLYSA-N 2 0 315.505 3.746 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635003746 1018507499 /nfs/dbraw/zinc/50/74/99/1018507499.db2.gz FHZXJTXXWFTURR-XLAORIBOSA-N 2 0 301.478 3.523 20 0 DHADRP CC[C@H](Cc1cccs1)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635005062 1018509080 /nfs/dbraw/zinc/50/90/80/1018509080.db2.gz HAKNUESCBFHBGM-DLBZAZTESA-N 2 0 302.487 3.619 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc(C[NH+](C)C)c1 ZINC000926504087 1018522284 /nfs/dbraw/zinc/52/22/84/1018522284.db2.gz IVMSTOZHNXQHHW-INIZCTEOSA-N 2 0 311.473 3.772 20 0 DHADRP CCCC1CCC(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650708353 1018523168 /nfs/dbraw/zinc/52/31/68/1018523168.db2.gz YFVNYTGYRBPLIL-PWKSQPCKSA-N 2 0 322.537 3.811 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000566572655 1018527942 /nfs/dbraw/zinc/52/79/42/1018527942.db2.gz VBOOKEBYXSSWQZ-GJZGRUSLSA-N 2 0 308.416 3.636 20 0 DHADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527239160 1018536681 /nfs/dbraw/zinc/53/66/81/1018536681.db2.gz QRABBTCRYQWCLR-QFBILLFUSA-N 2 0 314.498 3.791 20 0 DHADRP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1F ZINC000152727933 1018546273 /nfs/dbraw/zinc/54/62/73/1018546273.db2.gz MYRNJINZPMCMBL-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000650714062 1018549472 /nfs/dbraw/zinc/54/94/72/1018549472.db2.gz PRGKPROWEXNSRD-UHFFFAOYSA-N 2 0 314.404 3.837 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cccc3cccnc32)c2ccccc21 ZINC000261843414 1018560501 /nfs/dbraw/zinc/56/05/01/1018560501.db2.gz IWOYUZVTTKVOQS-RBUKOAKNSA-N 2 0 303.409 3.512 20 0 DHADRP Cc1cc2cc(CNCc3ccc(C[NH3+])cc3F)oc2cc1C ZINC000650718575 1018564494 /nfs/dbraw/zinc/56/44/94/1018564494.db2.gz RHHJDLYQNHGIND-UHFFFAOYSA-N 2 0 312.388 3.937 20 0 DHADRP CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720700 1018574361 /nfs/dbraw/zinc/57/43/61/1018574361.db2.gz ZBIJSKKYBJMZCB-UHFFFAOYSA-N 2 0 302.849 3.912 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171553666 1032774572 /nfs/dbraw/zinc/77/45/72/1032774572.db2.gz UCJUHYZRFRBYQR-PKOBYXMFSA-N 2 0 302.506 3.952 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000675776099 1018586400 /nfs/dbraw/zinc/58/64/00/1018586400.db2.gz PCLRVDWQCHGXPK-UHFFFAOYSA-N 2 0 315.288 4.000 20 0 DHADRP CC[C@@H](Cc1cccs1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675784581 1018589411 /nfs/dbraw/zinc/58/94/11/1018589411.db2.gz ZHGJUMQAEFVDJV-BBWFWOEESA-N 2 0 324.534 3.548 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)sc1Br ZINC000650747196 1018646924 /nfs/dbraw/zinc/64/69/24/1018646924.db2.gz UNCMIXQSQPECDW-SNVBAGLBSA-N 2 0 317.296 3.599 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c(F)c1 ZINC000650754573 1018679696 /nfs/dbraw/zinc/67/96/96/1018679696.db2.gz LWYDESUBXNNWHJ-KRWDZBQOSA-N 2 0 304.796 3.715 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000650756164 1018681283 /nfs/dbraw/zinc/68/12/83/1018681283.db2.gz VTYJSUNKZAHHNK-OXQOHEQNSA-N 2 0 309.457 3.617 20 0 DHADRP Cc1ccccc1C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CC1 ZINC000650755713 1018684467 /nfs/dbraw/zinc/68/44/67/1018684467.db2.gz LBJVELUNCRXLCM-HXUWFJFHSA-N 2 0 312.432 3.704 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000650756562 1018686116 /nfs/dbraw/zinc/68/61/16/1018686116.db2.gz DRCKSXDPNQSTAH-LJQANCHMSA-N 2 0 310.441 3.582 20 0 DHADRP Clc1cccc([C@H]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)C2)c1 ZINC000650761683 1018706470 /nfs/dbraw/zinc/70/64/70/1018706470.db2.gz HOQVMPVGDGEJKB-WMZOPIPTSA-N 2 0 306.881 3.955 20 0 DHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCS2 ZINC000650763648 1018711635 /nfs/dbraw/zinc/71/16/35/1018711635.db2.gz GKDNOXKQSJWMDP-OAHLLOKOSA-N 2 0 310.894 3.856 20 0 DHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1sccc1Br ZINC000650764001 1018712955 /nfs/dbraw/zinc/71/29/55/1018712955.db2.gz OBWQTSWSEBBRGR-SNVBAGLBSA-N 2 0 317.296 3.551 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001171559602 1032780475 /nfs/dbraw/zinc/78/04/75/1032780475.db2.gz JOFHAMKWNDWWPO-HXUWFJFHSA-N 2 0 312.501 3.706 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647312575 1018719304 /nfs/dbraw/zinc/71/93/04/1018719304.db2.gz OYBLMTPVJLAGBR-GDAAHCPNSA-N 2 0 304.453 3.767 20 0 DHADRP CCOc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000825762202 1032784919 /nfs/dbraw/zinc/78/49/19/1032784919.db2.gz DQFFUWUOJAYJOV-UHFFFAOYSA-N 2 0 316.489 3.702 20 0 DHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000566777948 1018759775 /nfs/dbraw/zinc/75/97/75/1018759775.db2.gz LHNNYHMMRLBOFK-HOTGVXAUSA-N 2 0 300.446 3.684 20 0 DHADRP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C)C2 ZINC001171564145 1032782758 /nfs/dbraw/zinc/78/27/58/1032782758.db2.gz UIYLLZZLPOBBAF-IMFGXOCKSA-N 2 0 300.490 3.561 20 0 DHADRP CC(C)COc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000154879759 1018812177 /nfs/dbraw/zinc/81/21/77/1018812177.db2.gz UQDNSXCGOSAJFS-QGZVFWFLSA-N 2 0 318.505 3.584 20 0 DHADRP Cc1cccc2c1CC[C@@H]([NH+]1CCC(C)([NH+]3CCCC3)CC1)C2 ZINC001171578984 1032792369 /nfs/dbraw/zinc/79/23/69/1032792369.db2.gz MPZXIKHBOCVYMF-LJQANCHMSA-N 2 0 312.501 3.803 20 0 DHADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)CC1 ZINC000921810731 1018892664 /nfs/dbraw/zinc/89/26/64/1018892664.db2.gz UTIJGLWMSOBJPW-ZHALLVOQSA-N 2 0 320.521 3.578 20 0 DHADRP c1cc(C[NH2+][C@@H]2CCCSCC2)cc(C[NH+]2CCCC2)c1 ZINC000657825985 1018934236 /nfs/dbraw/zinc/93/42/36/1018934236.db2.gz CKHNQXOQYDAKAO-GOSISDBHSA-N 2 0 304.503 3.658 20 0 DHADRP Cc1cnc(Cl)c(C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000921537536 1018952964 /nfs/dbraw/zinc/95/29/64/1018952964.db2.gz MCGHOMNUBHROTM-UHFFFAOYSA-N 2 0 309.885 3.645 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686523 1018980686 /nfs/dbraw/zinc/98/06/86/1018980686.db2.gz YUXOXOICAYTZCN-HLLBOEOZSA-N 2 0 320.908 3.765 20 0 DHADRP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000159122868 1019005811 /nfs/dbraw/zinc/00/58/11/1019005811.db2.gz AKLSUZCUISBIDO-HXUWFJFHSA-N 2 0 318.505 3.791 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657834155 1019014470 /nfs/dbraw/zinc/01/44/70/1019014470.db2.gz JPSKMOAYHCKLHG-NVXWUHKLSA-N 2 0 306.881 3.735 20 0 DHADRP CN(C)c1ccc(CC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619540 1032801795 /nfs/dbraw/zinc/80/17/95/1032801795.db2.gz OGDIXFFTWQSWKN-UHFFFAOYSA-N 2 0 317.521 3.536 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171622119 1032801828 /nfs/dbraw/zinc/80/18/28/1032801828.db2.gz UHHWDNBIUXPVBB-INIZCTEOSA-N 3 0 311.558 3.738 20 0 DHADRP C[NH+]1C(C)(C)CC([NH+]2CCC(C(F)(F)F)CC2)CC1(C)C ZINC001171632204 1032796731 /nfs/dbraw/zinc/79/67/31/1032796731.db2.gz WUGXWAZIMWICBU-UHFFFAOYSA-N 2 0 306.416 3.912 20 0 DHADRP FC(F)(F)C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000624272847 1019019506 /nfs/dbraw/zinc/01/95/06/1019019506.db2.gz RLBSITOKCRWHCZ-UHFFFAOYSA-N 2 0 304.400 3.573 20 0 DHADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625520 1032805205 /nfs/dbraw/zinc/80/52/05/1032805205.db2.gz KTFZNGOGCUXEIU-SFHVURJKSA-N 2 0 316.489 3.924 20 0 DHADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000387332684 1019080620 /nfs/dbraw/zinc/08/06/20/1019080620.db2.gz OQNLJRQXSGXMEH-UHFFFAOYSA-N 2 0 302.384 3.915 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657840623 1019105175 /nfs/dbraw/zinc/10/51/75/1019105175.db2.gz IGOYZUYHHMZFIY-GOSISDBHSA-N 2 0 306.519 3.904 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+][C@@H](c2cccnc2)C2CC2)CC1(C)C ZINC001171626050 1032808144 /nfs/dbraw/zinc/80/81/44/1032808144.db2.gz ULSDTAUAJDHJPK-QGZVFWFLSA-N 2 0 301.478 3.774 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000635003474 1019119771 /nfs/dbraw/zinc/11/97/71/1019119771.db2.gz KBSDKNOKDNPPFF-PXNSSMCTSA-N 2 0 311.473 3.863 20 0 DHADRP C[N@@H+]1CC[C@@H](c2ccc(N3C[C@H](CC[NH3+])c4ccccc43)cc2)C1 ZINC001168554904 1019121965 /nfs/dbraw/zinc/12/19/65/1019121965.db2.gz GMWRARSLOYOODS-MSOLQXFVSA-N 2 0 321.468 3.690 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657843111 1019128571 /nfs/dbraw/zinc/12/85/71/1019128571.db2.gz FACGVYANTZIALI-KBPBESRZSA-N 2 0 303.475 3.679 20 0 DHADRP CC[C@](C)([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C)cs1 ZINC000923325145 1019131065 /nfs/dbraw/zinc/13/10/65/1019131065.db2.gz AMYMAMWSRBXYNC-BTFYYFJDSA-N 2 0 307.507 3.587 20 0 DHADRP C[NH+]1C(C)(C)CC([NH2+]CC(C)(C)Cc2ccncc2)CC1(C)C ZINC001171627143 1032810364 /nfs/dbraw/zinc/81/03/64/1032810364.db2.gz LUWIKIPJJDOTFX-UHFFFAOYSA-N 2 0 317.521 3.891 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c3cccnc23)[C@H](C)C1 ZINC000081095560 1019160355 /nfs/dbraw/zinc/16/03/55/1019160355.db2.gz ADONIFXCBBDCGD-KDOFPFPSSA-N 2 0 315.436 3.536 20 0 DHADRP Cc1cc(C)c([C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923451152 1019212422 /nfs/dbraw/zinc/21/24/22/1019212422.db2.gz YZKWHSVAMKPQNH-MSOLQXFVSA-N 2 0 316.489 3.503 20 0 DHADRP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666998429 1032814784 /nfs/dbraw/zinc/81/47/84/1032814784.db2.gz SVMLGYYBARTLCD-KRWDZBQOSA-N 2 0 302.462 3.630 20 0 DHADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000923480504 1019231607 /nfs/dbraw/zinc/23/16/07/1019231607.db2.gz HVVFSJQYHFUCDF-NSHDSACASA-N 2 0 324.255 3.712 20 0 DHADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000923481349 1019231909 /nfs/dbraw/zinc/23/19/09/1019231909.db2.gz QTQKQLUBIHGJLP-GFCCVEGCSA-N 2 0 321.877 3.634 20 0 DHADRP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000923524980 1019264915 /nfs/dbraw/zinc/26/49/15/1019264915.db2.gz BVSOGSCZILMPNR-AVOUXACISA-N 2 0 304.400 3.572 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccc12 ZINC000666998093 1032820275 /nfs/dbraw/zinc/82/02/75/1032820275.db2.gz AMFYZSYHQJYCLL-MRXNPFEDSA-N 2 0 310.441 3.613 20 0 DHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+](C)C ZINC000657858232 1019313845 /nfs/dbraw/zinc/31/38/45/1019313845.db2.gz GTYFGVLVYPUPLK-MRXNPFEDSA-N 2 0 316.411 3.958 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000672623754 1019315458 /nfs/dbraw/zinc/31/54/58/1019315458.db2.gz QVPYHSPSXHRCQN-QGZVFWFLSA-N 2 0 318.505 3.834 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000105480553 1019431285 /nfs/dbraw/zinc/43/12/85/1019431285.db2.gz GHHOXVVHBCHMQC-UWJYYQICSA-N 2 0 324.468 3.695 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](c3ccncc3)C2)CC1(C)C ZINC001171636461 1032833734 /nfs/dbraw/zinc/83/37/34/1032833734.db2.gz DXUYGEBFUXGXQV-MRXNPFEDSA-N 2 0 301.478 3.522 20 0 DHADRP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)cc1 ZINC000562901664 1019501682 /nfs/dbraw/zinc/50/16/82/1019501682.db2.gz UHWRZGXQCNEJJF-PXNSSMCTSA-N 2 0 316.489 3.537 20 0 DHADRP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H]2Cc2ccccn2)CC1(C)C ZINC001171639447 1032836232 /nfs/dbraw/zinc/83/62/32/1032836232.db2.gz KDQAYAWCQHBJLF-QGZVFWFLSA-N 2 0 315.505 3.740 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000057847061 1019595216 /nfs/dbraw/zinc/59/52/16/1019595216.db2.gz KYQBYVMUYQEPLM-UHFFFAOYSA-N 2 0 317.502 3.850 20 0 DHADRP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CCN(CC3CCCC3)C1)C2 ZINC001168704505 1019619125 /nfs/dbraw/zinc/61/91/25/1019619125.db2.gz GXFFRHXXQHWWMS-IRXDYDNUSA-N 2 0 318.892 3.661 20 0 DHADRP COCCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000282218200 1019678760 /nfs/dbraw/zinc/67/87/60/1019678760.db2.gz HUMJILOOSCFWMW-QYZOEREBSA-N 2 0 322.468 3.756 20 0 DHADRP C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926587886 1019791067 /nfs/dbraw/zinc/79/10/67/1019791067.db2.gz LZYFPZKVNAURPO-HNNXBMFYSA-N 2 0 304.478 3.604 20 0 DHADRP Cc1cc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c2ccccc2[nH+]1 ZINC000534530559 1019797545 /nfs/dbraw/zinc/79/75/45/1019797545.db2.gz FSRDUXKWKZWXMN-FQEVSTJZSA-N 2 0 303.409 3.564 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccnc1 ZINC000066970563 1019964959 /nfs/dbraw/zinc/96/49/59/1019964959.db2.gz CAFPIVBCXVUQRO-KRWDZBQOSA-N 2 0 309.457 3.918 20 0 DHADRP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000685619206 1019982761 /nfs/dbraw/zinc/98/27/61/1019982761.db2.gz UDWNYFUBODXGLH-CQSZACIVSA-N 2 0 312.548 3.928 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)C[NH+](C)C ZINC000309746069 1020063272 /nfs/dbraw/zinc/06/32/72/1020063272.db2.gz XQZXBPXZLJXYNI-QGZVFWFLSA-N 2 0 312.457 3.553 20 0 DHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[Si](C)(C)C)CC1 ZINC000731212391 1020080868 /nfs/dbraw/zinc/08/08/68/1020080868.db2.gz JXMBRLIBIVDHPN-UHFFFAOYSA-N 2 0 304.554 3.708 20 0 DHADRP C[C@H](NC1CC([NH+]2CCCCC2)C1)c1cc2ccncc2s1 ZINC000658000149 1020084857 /nfs/dbraw/zinc/08/48/57/1020084857.db2.gz UOFUQNYDGDZRLY-JEYLPNPQSA-N 2 0 315.486 3.964 20 0 DHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000658020868 1020094127 /nfs/dbraw/zinc/09/41/27/1020094127.db2.gz ZXYDVMYJMJXGCA-HUUCEWRRSA-N 2 0 303.837 3.531 20 0 DHADRP C[C@H]1C[C@H](n2ccc3cccc(C[NH3+])c32)C[N@@H+]1Cc1ccccc1 ZINC001171735282 1032875216 /nfs/dbraw/zinc/87/52/16/1032875216.db2.gz UWJZTPDALJNESL-JXFKEZNVSA-N 2 0 319.452 3.936 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000922501820 1020105594 /nfs/dbraw/zinc/10/55/94/1020105594.db2.gz BQOYKSONDZKBFZ-UHFFFAOYSA-N 2 0 319.518 3.907 20 0 DHADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(C(F)F)nc1 ZINC000658036076 1020108034 /nfs/dbraw/zinc/10/80/34/1020108034.db2.gz TZJSVBTXDCHGLS-NSHDSACASA-N 2 0 302.328 3.518 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000658060598 1020109689 /nfs/dbraw/zinc/10/96/89/1020109689.db2.gz XZAZVNVAUCPSHV-XBMUEBEBSA-N 2 0 316.489 3.587 20 0 DHADRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000658167337 1020200780 /nfs/dbraw/zinc/20/07/80/1020200780.db2.gz XOZUDTIWXFUCHT-OALUTQOASA-N 2 0 315.505 3.708 20 0 DHADRP c1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)co1 ZINC000658200599 1020220560 /nfs/dbraw/zinc/22/05/60/1020220560.db2.gz OMCLSXXKIPETAC-ACDBMABISA-N 2 0 310.441 3.607 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000658223996 1020232175 /nfs/dbraw/zinc/23/21/75/1020232175.db2.gz QWEARVDCVJVUMW-YJBOKZPZSA-N 2 0 322.443 3.717 20 0 DHADRP CC(C)(C)C[N@H+]([C@@H]1Cc2cccc(F)c2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171787313 1032886311 /nfs/dbraw/zinc/88/63/11/1032886311.db2.gz JXDRFIANVQHBOF-BRWVUGGUSA-N 2 0 318.480 3.911 20 0 DHADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171790884 1032887118 /nfs/dbraw/zinc/88/71/18/1032887118.db2.gz VFQVQAYMSGJTGA-YESZJQIVSA-N 2 0 304.453 3.536 20 0 DHADRP COc1ccc([C@H](NCC[C@@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000658235022 1020258591 /nfs/dbraw/zinc/25/85/91/1020258591.db2.gz CILDAGRBMVFGMK-PZJWPPBQSA-N 2 0 324.468 3.859 20 0 DHADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1(C)C ZINC000765805456 1020262949 /nfs/dbraw/zinc/26/29/49/1020262949.db2.gz CNDYMYXFMOGWGI-MOPGFXCFSA-N 2 0 322.537 3.823 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168735208 1020282108 /nfs/dbraw/zinc/28/21/08/1020282108.db2.gz QEIUDTXRIIOVCG-QGZVFWFLSA-N 2 0 320.908 3.859 20 0 DHADRP COc1cccc(C2([NH2+]C3CC[NH+](C(C)C)CC3)CCC2)c1 ZINC000658324145 1020301521 /nfs/dbraw/zinc/30/15/21/1020301521.db2.gz YILWRKXBBYGFQZ-UHFFFAOYSA-N 2 0 302.462 3.537 20 0 DHADRP COc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)ccc1C ZINC000922845856 1020304613 /nfs/dbraw/zinc/30/46/13/1020304613.db2.gz UMMJCEZOQYLUDC-UHFFFAOYSA-N 2 0 302.462 3.500 20 0 DHADRP COc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)ccc1Cl ZINC000922845980 1020304951 /nfs/dbraw/zinc/30/49/51/1020304951.db2.gz ISZVTCHIJITPKF-UHFFFAOYSA-N 2 0 322.880 3.845 20 0 DHADRP CSc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922844946 1020307708 /nfs/dbraw/zinc/30/77/08/1020307708.db2.gz KBZMBIMWNVCSOU-UHFFFAOYSA-N 2 0 310.532 3.967 20 0 DHADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000658357127 1020321830 /nfs/dbraw/zinc/32/18/30/1020321830.db2.gz RIKRLGSTASYQJJ-LJQANCHMSA-N 2 0 302.437 3.525 20 0 DHADRP C[NH+]1CCC(C[NH2+]CCCC(F)(F)F)(c2ccccc2)CC1 ZINC001120064518 1020338214 /nfs/dbraw/zinc/33/82/14/1020338214.db2.gz SNLRURHBSGYLMN-UHFFFAOYSA-N 2 0 314.395 3.582 20 0 DHADRP C[N@@H+]1CCCC[C@H](CNCc2cnc(-c3ccccc3)s2)C1 ZINC000623655624 1020341092 /nfs/dbraw/zinc/34/10/92/1020341092.db2.gz AMLMDVVQKOTONN-OAHLLOKOSA-N 2 0 315.486 3.632 20 0 DHADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171808036 1032894411 /nfs/dbraw/zinc/89/44/11/1032894411.db2.gz XIWMFQAFUWDOPH-KSZLIROESA-N 2 0 316.464 3.632 20 0 DHADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000390717747 1020371901 /nfs/dbraw/zinc/37/19/01/1020371901.db2.gz JMILQPWLOQKZGT-FQEVSTJZSA-N 2 0 324.468 3.783 20 0 DHADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccccc1OCc1ccccc1 ZINC000390772178 1020395487 /nfs/dbraw/zinc/39/54/87/1020395487.db2.gz KGPDTCXXXGYVCW-VQIMIIECSA-N 2 0 310.441 3.577 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000655804010 1020399710 /nfs/dbraw/zinc/39/97/10/1020399710.db2.gz LUWFJSSZFURHGH-QXRTWZOPSA-N 2 0 306.881 3.906 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000655826489 1020404795 /nfs/dbraw/zinc/40/47/95/1020404795.db2.gz GCFUIGQWFZZYSC-KDYLLFBJSA-N 2 0 300.471 3.845 20 0 DHADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000655836251 1020410853 /nfs/dbraw/zinc/41/08/53/1020410853.db2.gz GRQBJORKPOOGCA-QKLQHJQFSA-N 2 0 315.505 3.645 20 0 DHADRP C[C@@]1(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCCS1 ZINC000628232531 1020425104 /nfs/dbraw/zinc/42/51/04/1020425104.db2.gz BPVUGUUKWFCVKL-SFHVURJKSA-N 2 0 304.503 3.658 20 0 DHADRP C(CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)CCC[NH+]1CCCC1 ZINC000921686613 1020444592 /nfs/dbraw/zinc/44/45/92/1020444592.db2.gz LTHFPYUOEYZGTB-VAMGGRTRSA-N 2 0 322.537 3.828 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056523684 1020493014 /nfs/dbraw/zinc/49/30/14/1020493014.db2.gz NCIZEZJALWSXRC-UHFFFAOYSA-N 2 0 314.395 3.869 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474456005 1020497560 /nfs/dbraw/zinc/49/75/60/1020497560.db2.gz DPWUBGSUHFKNSJ-LMRVLLHPSA-N 2 0 318.427 3.818 20 0 DHADRP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665721 1020544464 /nfs/dbraw/zinc/54/44/64/1020544464.db2.gz KVKCTWWWBWMPEE-YQQAZPJKSA-N 2 0 306.519 3.659 20 0 DHADRP c1ccc2cc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2c1 ZINC001168357935 1032910399 /nfs/dbraw/zinc/91/03/99/1032910399.db2.gz MJJIELUEJNFTBN-UHFFFAOYSA-N 2 0 308.469 3.846 20 0 DHADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000766045675 1020597713 /nfs/dbraw/zinc/59/77/13/1020597713.db2.gz TUVJEONBLBQSSA-KDOFPFPSSA-N 2 0 304.478 3.639 20 0 DHADRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C(C)(C)C ZINC000734850548 1020670084 /nfs/dbraw/zinc/67/00/84/1020670084.db2.gz ZMUTZBHJNWQBKA-GOSISDBHSA-N 2 0 318.505 3.856 20 0 DHADRP CC(C)(C)c1ccc(NCC2C[NH+](Cc3ccccc3)C2)nc1 ZINC000716220976 1020748113 /nfs/dbraw/zinc/74/81/13/1020748113.db2.gz IULXYYSKTXJDJE-UHFFFAOYSA-N 2 0 309.457 3.923 20 0 DHADRP CCC[N@H+](CCC[NH3+])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958595 1032925985 /nfs/dbraw/zinc/92/59/85/1032925985.db2.gz CTFMVRVPIHEXLU-ZDUSSCGKSA-N 2 0 302.384 3.697 20 0 DHADRP CC[C@@H]1C[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647497828 1020767617 /nfs/dbraw/zinc/76/76/17/1020767617.db2.gz WTWPNXWAYFSLEX-XJKCOSOUSA-N 2 0 314.395 3.868 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+](C)C ZINC001171958374 1032926694 /nfs/dbraw/zinc/92/66/94/1032926694.db2.gz WVPVIUOSMDMFMU-ZDUSSCGKSA-N 2 0 302.384 3.568 20 0 DHADRP Fc1ccc(CC[NH2+]C[C@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000685844908 1020809691 /nfs/dbraw/zinc/80/96/91/1020809691.db2.gz GBZMOGKCPHKYEQ-MRXNPFEDSA-N 2 0 310.844 3.628 20 0 DHADRP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001171967432 1032938503 /nfs/dbraw/zinc/93/85/03/1032938503.db2.gz ZXFOESQJOHACBQ-MOPGFXCFSA-N 2 0 318.505 3.690 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc(C[NH+](C)C)c1 ZINC000926738515 1020899696 /nfs/dbraw/zinc/89/96/96/1020899696.db2.gz SXYAYBFUWQKOBX-WFASDCNBSA-N 2 0 315.288 3.983 20 0 DHADRP CSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966552 1032939131 /nfs/dbraw/zinc/93/91/31/1032939131.db2.gz LLYBFSYJQXEFNM-QGZVFWFLSA-N 2 0 306.519 3.772 20 0 DHADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000926738938 1020903647 /nfs/dbraw/zinc/90/36/47/1020903647.db2.gz WUHIRNAGHXWYAU-ZDUSSCGKSA-N 2 0 307.309 3.670 20 0 DHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000414123891 1020915937 /nfs/dbraw/zinc/91/59/37/1020915937.db2.gz BRUHCRNSZXMHGO-GQGLESIBSA-N 2 0 308.510 3.575 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000414162853 1020950782 /nfs/dbraw/zinc/95/07/82/1020950782.db2.gz HUZKTGTYHUMBLJ-RHSMWYFYSA-N 2 0 306.881 3.593 20 0 DHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000414173371 1020961691 /nfs/dbraw/zinc/96/16/91/1020961691.db2.gz GERPCGFRFICDEE-ZIAGYGMSSA-N 2 0 312.404 3.671 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182403 1020969286 /nfs/dbraw/zinc/96/92/86/1020969286.db2.gz MYZKVJKCCJDRAS-ZNZZXWJUSA-N 2 0 310.844 3.653 20 0 DHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000414187398 1020978552 /nfs/dbraw/zinc/97/85/52/1020978552.db2.gz PUEUIAFSCDQUEZ-NSHDSACASA-N 2 0 300.431 3.512 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414189880 1020978884 /nfs/dbraw/zinc/97/88/84/1020978884.db2.gz RMURTKQWFYCVBE-UKRRQHHQSA-N 2 0 309.523 3.957 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414191854 1020979171 /nfs/dbraw/zinc/97/91/71/1020979171.db2.gz RZSUILPMTIRPIZ-WOUAJJJCSA-N 2 0 316.489 3.509 20 0 DHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414189872 1020979597 /nfs/dbraw/zinc/97/95/97/1020979597.db2.gz RMURTKQWFYCVBE-DZGCQCFKSA-N 2 0 309.523 3.957 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC000174514259 1020984491 /nfs/dbraw/zinc/98/44/91/1020984491.db2.gz MSLJJQQVFDNTCZ-PXNSSMCTSA-N 2 0 324.468 3.838 20 0 DHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414200097 1020988077 /nfs/dbraw/zinc/98/80/77/1020988077.db2.gz XHFUIMYGBPGFOQ-AZUAARDMSA-N 2 0 318.505 3.549 20 0 DHADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C1CC1 ZINC000414240585 1021024642 /nfs/dbraw/zinc/02/46/42/1021024642.db2.gz NNSCCXOROXWHFJ-LPWQTFTOSA-N 2 0 322.537 3.823 20 0 DHADRP Fc1ccc(C2CC([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c(F)c1 ZINC000892624446 1021109680 /nfs/dbraw/zinc/10/96/80/1021109680.db2.gz TTYGMSDUQMHXFO-UHFFFAOYSA-N 2 0 320.427 3.675 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414341598 1021110997 /nfs/dbraw/zinc/11/09/97/1021110997.db2.gz IAXFCVORCCIREE-QXCFHYIPSA-N 2 0 310.441 3.636 20 0 DHADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414360513 1021132963 /nfs/dbraw/zinc/13/29/63/1021132963.db2.gz QTZPOXXNAABBFW-GXTWGEPZSA-N 2 0 300.368 3.586 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000647544153 1021149306 /nfs/dbraw/zinc/14/93/06/1021149306.db2.gz XJTFNXRRFAIJKP-CVEARBPZSA-N 2 0 322.880 3.560 20 0 DHADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2n1 ZINC000647543601 1021149787 /nfs/dbraw/zinc/14/97/87/1021149787.db2.gz QBLGEMBUKDUIQN-PMACEKPBSA-N 2 0 323.484 3.755 20 0 DHADRP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647548875 1021154981 /nfs/dbraw/zinc/15/49/81/1021154981.db2.gz YZRYXMDFRGZVMK-YTQUADARSA-N 2 0 316.489 3.589 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423357784 1021186556 /nfs/dbraw/zinc/18/65/56/1021186556.db2.gz ASIPGOBSASEQDT-RDJZCZTQSA-N 2 0 309.542 3.525 20 0 DHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000251316842 1021220557 /nfs/dbraw/zinc/22/05/57/1021220557.db2.gz LJHRXNLAPAGOKO-IUODEOHRSA-N 2 0 300.393 3.654 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000924583621 1021223835 /nfs/dbraw/zinc/22/38/35/1021223835.db2.gz BPGYNJWEHCDDMM-WOJBJXKFSA-N 2 0 318.505 3.679 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)[C@@H](C)C1 ZINC000537984944 1032962813 /nfs/dbraw/zinc/96/28/13/1032962813.db2.gz NWLHVRFBNIRZHC-OJAHFUOMSA-N 2 0 322.537 3.682 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC000090585566 1021231686 /nfs/dbraw/zinc/23/16/86/1021231686.db2.gz XDHVZVHODUJLCG-HOTGVXAUSA-N 2 0 322.468 3.853 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1c(C)noc1C ZINC000924584296 1021246705 /nfs/dbraw/zinc/24/67/05/1021246705.db2.gz HNKCILAYPYULOH-AWEZNQCLSA-N 2 0 315.461 3.984 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@]2(C)CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977648 1032968072 /nfs/dbraw/zinc/96/80/72/1032968072.db2.gz SYVWTMSXAUDBCE-AZUAARDMSA-N 2 0 316.489 3.588 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC(C(F)(F)F)CC1 ZINC000423545135 1021271653 /nfs/dbraw/zinc/27/16/53/1021271653.db2.gz OULPMFMUZVKFSJ-IXWGYMPFSA-N 2 0 318.427 3.721 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000091367781 1021278623 /nfs/dbraw/zinc/27/86/23/1021278623.db2.gz NAPKGBZFALKERV-JENIJYKNSA-N 2 0 302.462 3.609 20 0 DHADRP CCC[N@@H+](Cc1cc(Cl)c(F)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236844494 1021355722 /nfs/dbraw/zinc/35/57/22/1021355722.db2.gz VGRSXHQPJOYMIB-NSHDSACASA-N 2 0 319.251 3.954 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC000589099095 1021384769 /nfs/dbraw/zinc/38/47/69/1021384769.db2.gz CSXZHZKAEXWOGC-HNNXBMFYSA-N 2 0 314.477 3.538 20 0 DHADRP [NH3+]CCc1cccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078002 1032982899 /nfs/dbraw/zinc/98/28/99/1032982899.db2.gz WLJCMBOKXVPRAJ-AERCQKQUSA-N 2 0 323.484 3.748 20 0 DHADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000589836667 1021501849 /nfs/dbraw/zinc/50/18/49/1021501849.db2.gz OSKBJJHRWVNMEE-HNNXBMFYSA-N 2 0 324.896 3.950 20 0 DHADRP [NH3+]CCC1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000070187484 1021579476 /nfs/dbraw/zinc/57/94/76/1021579476.db2.gz AIOXSXQQXJRDSR-UHFFFAOYSA-N 2 0 318.408 3.859 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000850542247 1021596493 /nfs/dbraw/zinc/59/64/93/1021596493.db2.gz KGNYXOVUDLLSQO-APWZRJJASA-N 2 0 315.505 3.645 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cccc(F)c1)C2 ZINC001172126668 1032994665 /nfs/dbraw/zinc/99/46/65/1032994665.db2.gz XXFMHIGPOLSKCB-FCGDIQPGSA-N 2 0 302.437 3.978 20 0 DHADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556259944 1021640608 /nfs/dbraw/zinc/64/06/08/1021640608.db2.gz KARWITLATYGOBL-WKWVNEEDSA-N 2 0 316.464 3.767 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000093693403 1021654344 /nfs/dbraw/zinc/65/43/44/1021654344.db2.gz XWKMUIFEWZSQGE-IBGZPJMESA-N 2 0 323.484 3.912 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2sccc2C)CC1 ZINC000093769433 1021675696 /nfs/dbraw/zinc/67/56/96/1021675696.db2.gz LAAIZPXJCGLCGS-UHFFFAOYSA-N 2 0 324.534 3.627 20 0 DHADRP CCc1oc2ccccc2c1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000093770276 1021677121 /nfs/dbraw/zinc/67/71/21/1021677121.db2.gz HRAQMPPTOJTJED-HNNXBMFYSA-N 2 0 300.446 3.769 20 0 DHADRP COc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1Cl ZINC000659842891 1021692612 /nfs/dbraw/zinc/69/26/12/1021692612.db2.gz HFMDXZAVEFOUBR-UHFFFAOYSA-N 2 0 322.880 3.656 20 0 DHADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3cccnc3)cc1)C2 ZINC001172104252 1033002361 /nfs/dbraw/zinc/00/23/61/1033002361.db2.gz AWGUYMMGUXEUTC-MZADTFQBSA-N 2 0 321.468 3.854 20 0 DHADRP CC(C)(C)[NH+]1CCC(N[C@H]2CSCc3ccccc32)CC1 ZINC000037786487 1021726675 /nfs/dbraw/zinc/72/66/75/1021726675.db2.gz JPCCGARLEWWPAQ-KRWDZBQOSA-N 2 0 304.503 3.827 20 0 DHADRP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000556584282 1021783362 /nfs/dbraw/zinc/78/33/62/1021783362.db2.gz SVDCZAXZPUAHAV-AQNXPRMDSA-N 2 0 300.490 3.779 20 0 DHADRP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893000935 1021786800 /nfs/dbraw/zinc/78/68/00/1021786800.db2.gz XVQMEEPGEBMCQH-CZLXLUGWSA-N 2 0 322.880 3.631 20 0 DHADRP CCOc1ccccc1[C@H](C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108987 1033008217 /nfs/dbraw/zinc/00/82/17/1033008217.db2.gz GJHVPXDBBWQMNY-LUKYLMHMSA-N 2 0 302.462 3.751 20 0 DHADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556869092 1021911083 /nfs/dbraw/zinc/91/10/83/1021911083.db2.gz CMYDASICPXGTKW-BHIYHBOVSA-N 2 0 300.490 3.735 20 0 DHADRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172111492 1033015100 /nfs/dbraw/zinc/01/51/00/1033015100.db2.gz RQQBROVDODVOKL-OWLYRPNTSA-N 2 0 324.472 3.758 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000556872483 1021914054 /nfs/dbraw/zinc/91/40/54/1021914054.db2.gz XTLNIPTVYJFLIM-KBMXLJTQSA-N 2 0 312.379 3.668 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000556879003 1021921790 /nfs/dbraw/zinc/92/17/90/1021921790.db2.gz CXEVKPGOHXVEDE-DJIMGWMZSA-N 2 0 322.880 3.701 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000556890574 1021930369 /nfs/dbraw/zinc/93/03/69/1021930369.db2.gz NFLHVUNWGSDHAD-ZYSHUDEJSA-N 2 0 322.443 3.750 20 0 DHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(F)n2)CC1)CC(C)C ZINC000851891893 1022030439 /nfs/dbraw/zinc/03/04/39/1022030439.db2.gz FQNOBBDFMDGHDH-UHFFFAOYSA-N 2 0 321.484 3.801 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172185678 1033029237 /nfs/dbraw/zinc/02/92/37/1033029237.db2.gz UIDXRUWTOGSGEH-WBVHZDCISA-N 2 0 304.503 3.558 20 0 DHADRP CCCC[NH+](CCCC)CCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001167732338 1022173380 /nfs/dbraw/zinc/17/33/80/1022173380.db2.gz YIWJZBWTUNBDSM-GOSISDBHSA-N 2 0 318.509 3.820 20 0 DHADRP CCCC[NH+](CCCC)CCNc1ccc(C2([NH3+])CC2)cc1 ZINC001167732729 1022178735 /nfs/dbraw/zinc/17/87/35/1022178735.db2.gz CTXJRQWBCQOMDF-UHFFFAOYSA-N 2 0 303.494 3.949 20 0 DHADRP CC1(C)[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925525778 1022183535 /nfs/dbraw/zinc/18/35/35/1022183535.db2.gz FBZXIDOJPNMJNM-IPOFZDNWSA-N 2 0 318.427 3.721 20 0 DHADRP CCC(CC)(C[NH2+][C@H](C)[C@@H]1CCOC1)N[C@@H](C)c1ccccc1 ZINC000153862132 1022259110 /nfs/dbraw/zinc/25/91/10/1022259110.db2.gz ONCDETLRWNCBTR-ZIFCJYIRSA-N 2 0 318.505 3.911 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3Cl)CC1)C2 ZINC001169117145 1022259159 /nfs/dbraw/zinc/25/91/59/1022259159.db2.gz WPGVILYBIJREPR-BJWYYQGGSA-N 2 0 318.892 3.878 20 0 DHADRP Cc1ccc(CC(C)(C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169117325 1022259244 /nfs/dbraw/zinc/25/92/44/1022259244.db2.gz YJTTYGGZCSABTH-LDLYASANSA-N 2 0 300.490 3.779 20 0 DHADRP Cc1ccc2c(C[C@@H](C)[NH3+])cn([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC001169106856 1022267903 /nfs/dbraw/zinc/26/79/03/1022267903.db2.gz AMUNXQDZQLPWBQ-BGTYHANMSA-N 2 0 311.473 3.637 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109599 1022268023 /nfs/dbraw/zinc/26/80/23/1022268023.db2.gz FQXNKXNPGKBPSR-OKYOBFRVSA-N 2 0 302.437 3.882 20 0 DHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccco2)ccc1OC ZINC000182191781 1022268899 /nfs/dbraw/zinc/26/88/99/1022268899.db2.gz IRLAYSKAXLLZSY-OAHLLOKOSA-N 2 0 316.445 3.981 20 0 DHADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(C(F)(F)F)cc31)C2 ZINC001169115754 1022269412 /nfs/dbraw/zinc/26/94/12/1022269412.db2.gz OGFNFKRTLKSPKC-JYYAWHABSA-N 2 0 324.390 3.908 20 0 DHADRP Cc1cc2cc[nH]c2c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001169141926 1022272648 /nfs/dbraw/zinc/27/26/48/1022272648.db2.gz LEKHZFLODSEXSO-RDTXWAMCSA-N 2 0 300.450 3.827 20 0 DHADRP Cc1cc2[nH+]ccn2cc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142493 1022274824 /nfs/dbraw/zinc/27/48/24/1022274824.db2.gz GYVMPXTWJDELRC-RDTXWAMCSA-N 2 0 300.450 3.598 20 0 DHADRP CC1(C)C[C@@H](Nc2cc(OCC3CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169147520 1022277385 /nfs/dbraw/zinc/27/73/85/1022277385.db2.gz XIYYGYWFWHJMGL-DNVCBOLYSA-N 2 0 317.477 3.826 20 0 DHADRP CC(C)([NH3+])c1ccccc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169154863 1022284438 /nfs/dbraw/zinc/28/44/38/1022284438.db2.gz ZAIVSHJSDSBXMM-AUUYWEPGSA-N 2 0 303.494 3.836 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCSc2ccc(F)cc2)[C@H](C)C1 ZINC000154334643 1022295489 /nfs/dbraw/zinc/29/54/89/1022295489.db2.gz SWAKVVBQFHDCFE-PBHICJAKSA-N 2 0 310.482 3.628 20 0 DHADRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)nc2)CCC[C@@H]1C[NH3+] ZINC001206003952 1022297351 /nfs/dbraw/zinc/29/73/51/1022297351.db2.gz NZBIEOUIQOICRO-QFBILLFUSA-N 2 0 309.457 3.555 20 0 DHADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc[nH+]c(C2CC2)c1 ZINC001169180037 1022297706 /nfs/dbraw/zinc/29/77/06/1022297706.db2.gz YCTPHRVCWLATNX-UHFFFAOYSA-N 2 0 321.424 3.721 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000182736526 1022304216 /nfs/dbraw/zinc/30/42/16/1022304216.db2.gz WRSGIEDQVDTIKD-HXUWFJFHSA-N 2 0 318.505 3.554 20 0 DHADRP CC[NH+]1CCC(N[C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CC1 ZINC001169233097 1022314265 /nfs/dbraw/zinc/31/42/65/1022314265.db2.gz KISPDQJWEZWFRB-LEWJYISDSA-N 2 0 323.484 3.502 20 0 DHADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155244914 1022382815 /nfs/dbraw/zinc/38/28/15/1022382815.db2.gz SCZJTUVQDRJCLJ-KRWDZBQOSA-N 2 0 324.896 3.567 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)c1ccc(-n2ccnc2)cc1 ZINC000337534264 1033055426 /nfs/dbraw/zinc/05/54/26/1033055426.db2.gz FLSOXHNMSUSHFY-MAZHCROVSA-N 2 0 321.371 3.683 20 0 DHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000269996722 1022427297 /nfs/dbraw/zinc/42/72/97/1022427297.db2.gz WMJRKQVDGZQOQD-JQHSSLGASA-N 2 0 302.462 3.751 20 0 DHADRP C[N@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000271895564 1022485720 /nfs/dbraw/zinc/48/57/20/1022485720.db2.gz UCADECMYJSUCFF-HXUWFJFHSA-N 2 0 310.416 3.767 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272260282 1022498202 /nfs/dbraw/zinc/49/82/02/1022498202.db2.gz WZBWXLKWKZTKJM-SQGPQFPESA-N 2 0 309.457 3.643 20 0 DHADRP C[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374729 1022502536 /nfs/dbraw/zinc/50/25/36/1022502536.db2.gz BBRVIIQUXXLNFY-VQIMIIECSA-N 2 0 314.498 3.791 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000156875886 1022502917 /nfs/dbraw/zinc/50/29/17/1022502917.db2.gz YAUGYUOAILXJGD-IUODEOHRSA-N 2 0 315.288 3.998 20 0 DHADRP c1ccc(COCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000156905277 1022504582 /nfs/dbraw/zinc/50/45/82/1022504582.db2.gz FPJVNKIXPCBYPT-UHFFFAOYSA-N 2 0 316.489 3.590 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157013115 1022514765 /nfs/dbraw/zinc/51/47/65/1022514765.db2.gz FOBFUMALJMEZLQ-HNNXBMFYSA-N 2 0 304.478 3.856 20 0 DHADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000671106533 1022519665 /nfs/dbraw/zinc/51/96/65/1022519665.db2.gz WNNAWJLTTCGLEL-QGZVFWFLSA-N 2 0 318.505 3.966 20 0 DHADRP Fc1ccc(F)c(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000157194483 1022531973 /nfs/dbraw/zinc/53/19/73/1022531973.db2.gz URCRIPLIWOEWQF-UHFFFAOYSA-N 2 0 322.443 3.894 20 0 DHADRP CN(C)c1cc[nH+]cc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204087195 1033063119 /nfs/dbraw/zinc/06/31/19/1033063119.db2.gz MQPYVLZXNIPXOX-UHFFFAOYSA-N 2 0 310.445 3.877 20 0 DHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230472 1022618110 /nfs/dbraw/zinc/61/81/10/1022618110.db2.gz LNQRUQIRYPXMGD-XJKSGUPXSA-N 2 0 312.404 3.671 20 0 DHADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)CC(C)C ZINC000417328597 1022680400 /nfs/dbraw/zinc/68/04/00/1022680400.db2.gz CLPSYVNUUVMGKD-UHOSZYNNSA-N 2 0 310.526 3.680 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 ZINC000180415777 1022724235 /nfs/dbraw/zinc/72/42/35/1022724235.db2.gz IGIYHBKOPTZBFS-CJNGLKHVSA-N 2 0 310.869 3.516 20 0 DHADRP FC1(F)C[C@H]1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000621767337 1022864711 /nfs/dbraw/zinc/86/47/11/1022864711.db2.gz CANDXVBQECYRHU-TVFCKZIOSA-N 2 0 320.427 3.817 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000893321902 1022866242 /nfs/dbraw/zinc/86/62/42/1022866242.db2.gz JEXXWKGUYDZXBV-LLVKDONJSA-N 2 0 323.428 3.762 20 0 DHADRP ClC1(Cl)C[C@@H]1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000856805736 1022872640 /nfs/dbraw/zinc/87/26/40/1022872640.db2.gz ULOUOEWYXQJNKK-ZDUSSCGKSA-N 2 0 319.320 3.957 20 0 DHADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417881537 1022878774 /nfs/dbraw/zinc/87/87/74/1022878774.db2.gz QZUODZVNXWSMGV-PMACEKPBSA-N 2 0 324.468 3.520 20 0 DHADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000414925406 1022922003 /nfs/dbraw/zinc/92/20/03/1022922003.db2.gz LTFGJPAATIAOTG-SJORKVTESA-N 2 0 311.429 3.542 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000319232919 1022936856 /nfs/dbraw/zinc/93/68/56/1022936856.db2.gz OXFKPPSPJZFZKI-RHSMWYFYSA-N 2 0 303.425 3.658 20 0 DHADRP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1SC ZINC000165319127 1022978693 /nfs/dbraw/zinc/97/86/93/1022978693.db2.gz QIPZIMUQKRUPGB-LSDHHAIUSA-N 2 0 322.518 3.800 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000859213683 1033099731 /nfs/dbraw/zinc/09/97/31/1033099731.db2.gz ZCGXOJCPLXHRFV-IBGZPJMESA-N 2 0 316.489 3.672 20 0 DHADRP Cc1ccc(CC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)nc1 ZINC000651492450 1023039855 /nfs/dbraw/zinc/03/98/55/1023039855.db2.gz HQGOCVFKCMFTOE-HXUWFJFHSA-N 2 0 323.484 3.575 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(OC(C)(C)C)cc[nH+]1 ZINC001167754277 1023048275 /nfs/dbraw/zinc/04/82/75/1023048275.db2.gz QRDSEMQTNWLIFS-OAHLLOKOSA-N 2 0 305.466 3.935 20 0 DHADRP Cc1ccc(NCCC[N@H+]2CCCC[C@H]2C)c(C[NH+](C)C)c1 ZINC001167755076 1023051502 /nfs/dbraw/zinc/05/15/02/1023051502.db2.gz ZUKRLIAGEULOQY-QGZVFWFLSA-N 2 0 303.494 3.733 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C(C)C)[C@H](C)C1 ZINC000089597318 1023089287 /nfs/dbraw/zinc/08/92/87/1023089287.db2.gz KHTLSUQXTFEYDQ-SJLPKXTDSA-N 2 0 304.478 3.509 20 0 DHADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CCO1 ZINC000387086835 1023120570 /nfs/dbraw/zinc/12/05/70/1023120570.db2.gz QUFRAIUCHMCOED-RTBURBONSA-N 2 0 304.478 3.576 20 0 DHADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CCO1 ZINC000387086831 1023120758 /nfs/dbraw/zinc/12/07/58/1023120758.db2.gz QUFRAIUCHMCOED-RBUKOAKNSA-N 2 0 304.478 3.576 20 0 DHADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660415426 1023149306 /nfs/dbraw/zinc/14/93/06/1023149306.db2.gz COZSHGUEECZFER-RLLQIKCJSA-N 2 0 300.490 3.986 20 0 DHADRP FC(F)C1CC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000769496068 1023165968 /nfs/dbraw/zinc/16/59/68/1023165968.db2.gz VFTUIRMEGRCUDZ-UHFFFAOYSA-N 2 0 314.445 3.593 20 0 DHADRP Cc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cnc1Cl ZINC000769498695 1023166290 /nfs/dbraw/zinc/16/62/90/1023166290.db2.gz OOUDGQKHSLILBB-UHFFFAOYSA-N 2 0 309.885 3.597 20 0 DHADRP C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769501765 1023167954 /nfs/dbraw/zinc/16/79/54/1023167954.db2.gz QEEFNCKOKCNCMA-OAHLLOKOSA-N 2 0 302.487 3.873 20 0 DHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194552117 1023174935 /nfs/dbraw/zinc/17/49/35/1023174935.db2.gz FNFOCSSGZUBYHT-HXUWFJFHSA-N 2 0 314.473 3.701 20 0 DHADRP C[C@H]1C[C@H](CC[NH2+]C2CC(C(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000769538492 1023175902 /nfs/dbraw/zinc/17/59/02/1023175902.db2.gz OUDMIPIGDKFWDH-WSDZMALLSA-N 2 0 322.443 3.920 20 0 DHADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172381232 1033115124 /nfs/dbraw/zinc/11/51/24/1033115124.db2.gz YUZSCDBXTROVCV-VAMGGRTRSA-N 2 0 323.569 3.551 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccccc1 ZINC000925705430 1023294439 /nfs/dbraw/zinc/29/44/39/1023294439.db2.gz JCBOUYMMIHJOSY-DLBZAZTESA-N 2 0 304.503 3.590 20 0 DHADRP COc1ccc(C(C)C)cc1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662373 1023366811 /nfs/dbraw/zinc/36/68/11/1023366811.db2.gz JBZGWVGBDNDYOF-HXUWFJFHSA-N 2 0 316.489 3.736 20 0 DHADRP CCC1(CC)CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000651719598 1023492790 /nfs/dbraw/zinc/49/27/90/1023492790.db2.gz YOLHDFORDQFFRP-KRWDZBQOSA-N 2 0 322.537 3.826 20 0 DHADRP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172353540 1033137245 /nfs/dbraw/zinc/13/72/45/1033137245.db2.gz NOTQGZXEEMDFIQ-CADBVGFASA-N 2 0 310.526 3.919 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)[C@@H](C)C1 ZINC000876764994 1033137420 /nfs/dbraw/zinc/13/74/20/1033137420.db2.gz ROWNIZQSSJYHAJ-SWLSCSKDSA-N 2 0 321.852 3.643 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C[C@@H]1C ZINC001172367281 1033147421 /nfs/dbraw/zinc/14/74/21/1033147421.db2.gz LKOSGEPMQAGYBW-RYRKJORJSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]1CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172371152 1033151262 /nfs/dbraw/zinc/15/12/62/1033151262.db2.gz XDWGNWZWCLZWNS-UNNPPQAFSA-N 2 0 315.505 3.978 20 0 DHADRP CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001170061525 1023714371 /nfs/dbraw/zinc/71/43/71/1023714371.db2.gz SYXMDWVBPLZTKE-GOSISDBHSA-N 2 0 317.521 3.743 20 0 DHADRP CCOCC[C@H](C)[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422148 1033165608 /nfs/dbraw/zinc/16/56/08/1033165608.db2.gz SAWPZHKSIINYTD-IHPCNDPISA-N 2 0 318.505 3.882 20 0 DHADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000538752479 1033170634 /nfs/dbraw/zinc/17/06/34/1033170634.db2.gz OERGOVZMCKVQKQ-YJBOKZPZSA-N 2 0 304.478 3.957 20 0 DHADRP CCC1([NH3+])CCN([C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000925755987 1023969420 /nfs/dbraw/zinc/96/94/20/1023969420.db2.gz JUJAODBSSAUFAH-OAHLLOKOSA-N 2 0 308.853 3.757 20 0 DHADRP COc1ccc([C@@H](C)[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662249291 1024028668 /nfs/dbraw/zinc/02/86/68/1024028668.db2.gz SLCUAZOEGGMPEW-OAHLLOKOSA-N 2 0 310.441 3.534 20 0 DHADRP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662264554 1024040527 /nfs/dbraw/zinc/04/05/27/1024040527.db2.gz SOWXIIUNFHCGEG-CYBMUJFWSA-N 2 0 315.486 3.599 20 0 DHADRP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001172398473 1033183594 /nfs/dbraw/zinc/18/35/94/1033183594.db2.gz GJICZHCLJXXWMT-GOSISDBHSA-N 2 0 318.505 3.856 20 0 DHADRP Clc1ccc2sc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2n1 ZINC000876930165 1033184414 /nfs/dbraw/zinc/18/44/14/1033184414.db2.gz SSNGSLNWWUBVHY-LLVKDONJSA-N 2 0 321.877 3.524 20 0 DHADRP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000538798475 1033184527 /nfs/dbraw/zinc/18/45/27/1033184527.db2.gz HRSNUEGKISNERZ-AZUAARDMSA-N 2 0 316.489 3.638 20 0 DHADRP CC(C)c1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000662282180 1024060359 /nfs/dbraw/zinc/06/03/59/1024060359.db2.gz UBASKFLPSROHLK-PMACEKPBSA-N 2 0 316.489 3.528 20 0 DHADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662281945 1024062470 /nfs/dbraw/zinc/06/24/70/1024062470.db2.gz MSZJRADGEGICOC-CYBMUJFWSA-N 2 0 300.833 3.837 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(F)ccc1F ZINC000662282308 1024063031 /nfs/dbraw/zinc/06/30/31/1024063031.db2.gz OLEPKVHIDDCYSF-IBGZPJMESA-N 2 0 316.395 3.851 20 0 DHADRP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001172400712 1033185084 /nfs/dbraw/zinc/18/50/84/1033185084.db2.gz NYLSJAATNXEEMP-SFHVURJKSA-N 2 0 318.505 3.856 20 0 DHADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292271 1024074328 /nfs/dbraw/zinc/07/43/28/1024074328.db2.gz CSRBLNCPKMWASF-ZBFHGGJFSA-N 2 0 319.493 3.745 20 0 DHADRP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297429 1024079858 /nfs/dbraw/zinc/07/98/58/1024079858.db2.gz PRHCWQRPSNXBRA-UKRRQHHQSA-N 2 0 308.416 3.737 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1F ZINC000662302890 1024087933 /nfs/dbraw/zinc/08/79/33/1024087933.db2.gz PEIYNVDDATYWHX-FQEVSTJZSA-N 2 0 312.432 3.958 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc(Cl)c1N ZINC000876933656 1033185815 /nfs/dbraw/zinc/18/58/15/1033185815.db2.gz VWACJEHWCIZYMV-CQSZACIVSA-N 2 0 309.885 3.666 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876908102 1033182063 /nfs/dbraw/zinc/18/20/63/1033182063.db2.gz ZMYAPBIWAGBAND-UHFFFAOYSA-N 2 0 323.893 3.912 20 0 DHADRP C[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000925244223 1024119052 /nfs/dbraw/zinc/11/90/52/1024119052.db2.gz UFKLUIRHACDGDK-KRWDZBQOSA-N 2 0 318.505 3.732 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000268808497 1024165545 /nfs/dbraw/zinc/16/55/45/1024165545.db2.gz AIZJPXZMCZAUEE-LBPRGKRZSA-N 2 0 304.356 3.578 20 0 DHADRP COc1ccccc1C[N@H+]([C@@H]1CC[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170118287 1024165770 /nfs/dbraw/zinc/16/57/70/1024165770.db2.gz REOUTAZWYFYXGZ-DSLXNQLJSA-N 2 0 316.489 3.956 20 0 DHADRP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663345627 1024174119 /nfs/dbraw/zinc/17/41/19/1024174119.db2.gz MALZCWLQOPOAIJ-DOTOQJQBSA-N 2 0 304.453 3.641 20 0 DHADRP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCOC1 ZINC000662482818 1024211121 /nfs/dbraw/zinc/21/11/21/1024211121.db2.gz HBHVNGJJKWGZHA-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790047901 1024213288 /nfs/dbraw/zinc/21/32/88/1024213288.db2.gz DREYYAUUUXUQIQ-IEBWSBKVSA-N 2 0 300.490 3.818 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OC)cc1 ZINC000269003794 1024217701 /nfs/dbraw/zinc/21/77/01/1024217701.db2.gz MFTYRMVSIIGAJY-LJQANCHMSA-N 2 0 302.462 3.753 20 0 DHADRP c1cncc(-c2cccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)c2)c1 ZINC000269105975 1024243221 /nfs/dbraw/zinc/24/32/21/1024243221.db2.gz AUNGYVIZABUMAC-UHFFFAOYSA-N 2 0 321.468 3.855 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000531685449 1024272745 /nfs/dbraw/zinc/27/27/45/1024272745.db2.gz OVSUAAUYWHEIJG-MJGOQNOKSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H](c1ccccc1Br)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183654 1024285816 /nfs/dbraw/zinc/28/58/16/1024285816.db2.gz KTLWLBBEACQXNR-LBPRGKRZSA-N 2 0 311.267 3.571 20 0 DHADRP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183511 1024286229 /nfs/dbraw/zinc/28/62/29/1024286229.db2.gz SXSYIMCVNKDQMF-LBPRGKRZSA-N 2 0 311.267 3.571 20 0 DHADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883207163 1024288746 /nfs/dbraw/zinc/28/87/46/1024288746.db2.gz HHUDRBMIGWCMRD-VQIMIIECSA-N 2 0 313.489 3.919 20 0 DHADRP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000453090880 1024326510 /nfs/dbraw/zinc/32/65/10/1024326510.db2.gz POTBIJIPOQPBCH-MSOLQXFVSA-N 2 0 303.494 3.647 20 0 DHADRP CC(C)OCC[C@@H](C)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172444180 1033203191 /nfs/dbraw/zinc/20/31/91/1033203191.db2.gz JTACBCFMMJFTET-BHIYHBOVSA-N 2 0 310.526 3.952 20 0 DHADRP CC(C)OCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001172446568 1033203679 /nfs/dbraw/zinc/20/36/79/1033203679.db2.gz CASSQTSQFMLYQT-QGZVFWFLSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453115933 1024343608 /nfs/dbraw/zinc/34/36/08/1024343608.db2.gz XIVRQGRTNJQQKO-HKUYNNGSSA-N 2 0 303.494 3.503 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccncc1 ZINC000453120775 1024345695 /nfs/dbraw/zinc/34/56/95/1024345695.db2.gz LJWSOAITRWNXBQ-SFHVURJKSA-N 2 0 301.409 3.523 20 0 DHADRP Clc1csc(C[NH2+]CCCCC[NH+]2CCCCC2)n1 ZINC000877009090 1033204281 /nfs/dbraw/zinc/20/42/81/1033204281.db2.gz HCVJEBKEBIAPSG-UHFFFAOYSA-N 2 0 301.887 3.542 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)(C)C ZINC000453161545 1024375849 /nfs/dbraw/zinc/37/58/49/1024375849.db2.gz OQIDWTJSFIOCHO-KSZLIROESA-N 2 0 310.526 3.559 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000453209148 1024402882 /nfs/dbraw/zinc/40/28/82/1024402882.db2.gz CYKNXWRHWXWLRB-QUCCMNQESA-N 2 0 309.457 3.644 20 0 DHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663465821 1024403325 /nfs/dbraw/zinc/40/33/25/1024403325.db2.gz LPQNXOFHZOAXDT-SJLPKXTDSA-N 2 0 316.489 3.776 20 0 DHADRP FC1(F)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453210863 1024404866 /nfs/dbraw/zinc/40/48/66/1024404866.db2.gz MOYUUWDOFYNLDM-KZNAEPCWSA-N 2 0 320.427 3.817 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663466881 1024409478 /nfs/dbraw/zinc/40/94/78/1024409478.db2.gz AVQBYZRRVBNCSY-KXBFYZLASA-N 2 0 302.437 3.525 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467916 1024409892 /nfs/dbraw/zinc/40/98/92/1024409892.db2.gz ILFHQXBFEWDZOS-QFBILLFUSA-N 2 0 318.480 3.858 20 0 DHADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000883417515 1024432112 /nfs/dbraw/zinc/43/21/12/1024432112.db2.gz CNRGQEKERGRUGZ-VQTJNVASSA-N 2 0 316.489 3.618 20 0 DHADRP COc1ccc([C@H](C)CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000166084229 1024454374 /nfs/dbraw/zinc/45/43/74/1024454374.db2.gz NTCNAKZHAGJRSQ-JEWRLFTDSA-N 2 0 304.478 3.507 20 0 DHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000643456646 1024468744 /nfs/dbraw/zinc/46/87/44/1024468744.db2.gz RCQPUWGZFZQJTD-IAGOWNOFSA-N 2 0 320.358 3.982 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H](O)CC ZINC000453358166 1024480236 /nfs/dbraw/zinc/48/02/36/1024480236.db2.gz JYUVDILTEQLWQD-TUNPWDSISA-N 2 0 318.505 3.569 20 0 DHADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000663502935 1024491444 /nfs/dbraw/zinc/49/14/44/1024491444.db2.gz JFUTURBERVYENJ-IUODEOHRSA-N 2 0 302.384 3.772 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453402220 1024500830 /nfs/dbraw/zinc/50/08/30/1024500830.db2.gz NMMZCIIJIZVVFZ-IBGZPJMESA-N 2 0 316.489 3.882 20 0 DHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453405292 1024501446 /nfs/dbraw/zinc/50/14/46/1024501446.db2.gz QHTXXTPYKHLBQS-MSOLQXFVSA-N 2 0 315.505 3.880 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001167826557 1024502217 /nfs/dbraw/zinc/50/22/17/1024502217.db2.gz QDICASGANVARPP-AZUAARDMSA-N 2 0 318.505 3.788 20 0 DHADRP C[C@@H]1CC[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)O1 ZINC000453413355 1024505564 /nfs/dbraw/zinc/50/55/64/1024505564.db2.gz RQYDUMZPSQBGJZ-SGZDXZSOSA-N 2 0 316.489 3.587 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001167827157 1024506566 /nfs/dbraw/zinc/50/65/66/1024506566.db2.gz UFTHWOKYGHYCPN-MSOLQXFVSA-N 2 0 303.494 3.772 20 0 DHADRP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001172462368 1033216238 /nfs/dbraw/zinc/21/62/38/1033216238.db2.gz FMTHZJOZVIVLMF-QGZVFWFLSA-N 2 0 310.526 3.682 20 0 DHADRP COc1cccc2cc([C@@H](C)[NH2+]CCCC[N@H+](C)C3CC3)oc21 ZINC000453396995 1024514301 /nfs/dbraw/zinc/51/43/01/1024514301.db2.gz JCGNIWIPNRCJQS-CQSZACIVSA-N 2 0 316.445 3.966 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523169 1024520224 /nfs/dbraw/zinc/52/02/24/1024520224.db2.gz XARUBRODJHXHMC-HOCLYGCPSA-N 2 0 308.853 3.594 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(CC)C(C)C)[C@@H](C)C1 ZINC000453454327 1024522794 /nfs/dbraw/zinc/52/27/94/1024522794.db2.gz TWSSVWYSNOJDCX-INDMIFKZSA-N 2 0 310.526 3.538 20 0 DHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522992 1024523524 /nfs/dbraw/zinc/52/35/24/1024523524.db2.gz VNGUYEFTQZYGOG-BBRMVZONSA-N 2 0 314.395 3.758 20 0 DHADRP Cc1cc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)ccc1F ZINC000271501003 1024524912 /nfs/dbraw/zinc/52/49/12/1024524912.db2.gz MCTNYFMVMHYCHJ-ZHALLVOQSA-N 2 0 302.437 3.802 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000282842187 1024534625 /nfs/dbraw/zinc/53/46/25/1024534625.db2.gz STSNGXRXZVVWPX-PJIJBLCYSA-N 2 0 317.452 3.558 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)C1=CCCC1 ZINC000453586720 1024543752 /nfs/dbraw/zinc/54/37/52/1024543752.db2.gz VPMXNNRJAIJEEK-UHFFFAOYSA-N 2 0 310.445 3.802 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000271576986 1024544301 /nfs/dbraw/zinc/54/43/01/1024544301.db2.gz ZTFUXMNODCNKHS-SJORKVTESA-N 2 0 316.489 3.735 20 0 DHADRP COc1ccc2ccccc2c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453599602 1024545964 /nfs/dbraw/zinc/54/59/64/1024545964.db2.gz KPJJTWKTNANSGN-UHFFFAOYSA-N 2 0 312.457 3.812 20 0 DHADRP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000643547900 1024549112 /nfs/dbraw/zinc/54/91/12/1024549112.db2.gz KNDSDBUCHRCYAK-RHSMWYFYSA-N 2 0 308.416 3.926 20 0 DHADRP COCCCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103227954 1024554352 /nfs/dbraw/zinc/55/43/52/1024554352.db2.gz QBMCENHHSVTJOE-UHFFFAOYSA-N 2 0 318.505 3.647 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCc2ccc(OC)cc2C1 ZINC001167834878 1024601461 /nfs/dbraw/zinc/60/14/61/1024601461.db2.gz NNSWZJAEBDXMCE-QGZVFWFLSA-N 2 0 318.505 3.954 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCc2ccc(OC)cc2C1 ZINC001167834877 1024602943 /nfs/dbraw/zinc/60/29/43/1024602943.db2.gz NNSWZJAEBDXMCE-KRWDZBQOSA-N 2 0 318.505 3.954 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC001167835936 1024619945 /nfs/dbraw/zinc/61/99/45/1024619945.db2.gz WBDOJWRKSDLRSB-MRXNPFEDSA-N 2 0 320.477 3.748 20 0 DHADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000925802188 1024620151 /nfs/dbraw/zinc/62/01/51/1024620151.db2.gz YTHIREGZLAKLOI-YRGRVCCFSA-N 2 0 300.368 3.602 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001167836161 1024620218 /nfs/dbraw/zinc/62/02/18/1024620218.db2.gz WQDVYXNBOOJURI-HKUYNNGSSA-N 2 0 310.526 3.778 20 0 DHADRP CC[NH+](CC)CCC[C@@H](C)N1CC[N@@H+](C2CCCCC2)[C@@H](C)C1 ZINC001167836256 1024622509 /nfs/dbraw/zinc/62/25/09/1024622509.db2.gz YMFFORSPZJOJEN-MOPGFXCFSA-N 2 0 323.569 3.836 20 0 DHADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438391 1024642677 /nfs/dbraw/zinc/64/26/77/1024642677.db2.gz ACVGJPCVIGDJPN-XLIONFOSSA-N 2 0 312.457 3.712 20 0 DHADRP COc1cccc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)oc21 ZINC000321019534 1024645268 /nfs/dbraw/zinc/64/52/68/1024645268.db2.gz BFMGYJJIFATKHB-MQVJKMGUSA-N 2 0 314.429 3.546 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c[nH]nc2c1 ZINC000348970827 1024656309 /nfs/dbraw/zinc/65/63/09/1024656309.db2.gz XESBPLBRXZMJJD-UHFFFAOYSA-N 2 0 322.456 3.647 20 0 DHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2c[nH]nc21 ZINC000349009497 1024660459 /nfs/dbraw/zinc/66/04/59/1024660459.db2.gz PRHAWRXTLCHMEV-UHFFFAOYSA-N 2 0 322.456 3.647 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160944 1024681306 /nfs/dbraw/zinc/68/13/06/1024681306.db2.gz UONUJLCAYAQFPN-MNOVXSKESA-N 2 0 316.276 3.568 20 0 DHADRP C[C@H](Cc1ccccc1Cl)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001170266201 1024718907 /nfs/dbraw/zinc/71/89/07/1024718907.db2.gz MZIQHBHSHIQLBW-HPUBIQBYSA-N 2 0 308.897 3.981 20 0 DHADRP CCC[NH+]1CCC([NH2+]CCCO[C@@H](C)c2ccccc2)CC1 ZINC000102555500 1024730517 /nfs/dbraw/zinc/73/05/17/1024730517.db2.gz CVAMXDDFEJDLQS-KRWDZBQOSA-N 2 0 304.478 3.618 20 0 DHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC1CC[NH+](C)CC1 ZINC001168165877 1024738567 /nfs/dbraw/zinc/73/85/67/1024738567.db2.gz KDMPZJJUZVDNBJ-HNNXBMFYSA-N 2 0 308.897 3.983 20 0 DHADRP Cc1ncccc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350552799 1024828091 /nfs/dbraw/zinc/82/80/91/1024828091.db2.gz GBZAOUCOGKBRII-SFTDATJTSA-N 2 0 323.484 3.562 20 0 DHADRP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000319865148 1024854205 /nfs/dbraw/zinc/85/42/05/1024854205.db2.gz SEMVITBLFLKSDK-QGZVFWFLSA-N 2 0 320.477 3.621 20 0 DHADRP C[N@H+](CCCC[NH2+]Cc1cccc(OC(C)(C)C)c1)C1CC1 ZINC001202685091 1024857982 /nfs/dbraw/zinc/85/79/82/1024857982.db2.gz WFGRPPRTIQLXSR-UHFFFAOYSA-N 2 0 304.478 3.828 20 0 DHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000348314022 1024953775 /nfs/dbraw/zinc/95/37/75/1024953775.db2.gz HBVORGITSYBTJO-RRENTHDGSA-N 2 0 304.453 3.910 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)[C@@H]2CCC[C@H]21 ZINC000353401801 1025054010 /nfs/dbraw/zinc/05/40/10/1025054010.db2.gz IGLBROGYCGCMCV-KKBVYLPWSA-N 2 0 320.477 3.825 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)[C@H]1CC1(F)F ZINC000666444818 1025069172 /nfs/dbraw/zinc/06/91/72/1025069172.db2.gz JYXATLVOYJPUBI-WMLDXEAASA-N 2 0 308.416 3.806 20 0 DHADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000648496106 1025089474 /nfs/dbraw/zinc/08/94/74/1025089474.db2.gz OGKBVHNUQHNQRS-OALUTQOASA-N 2 0 304.478 3.574 20 0 DHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353512005 1025100248 /nfs/dbraw/zinc/10/02/48/1025100248.db2.gz CGKGIOMFVWAGEH-BZUAXINKSA-N 2 0 308.466 3.510 20 0 DHADRP C[N@@H+](Cc1c(Cl)ccc2cccnc21)CC1CC[NH+](C)CC1 ZINC000104086498 1025175443 /nfs/dbraw/zinc/17/54/43/1025175443.db2.gz IKQZBSVTNWLHJW-UHFFFAOYSA-N 2 0 317.864 3.662 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(-c3ccncc3)c2)[C@@H](C)C1 ZINC000353745786 1025229686 /nfs/dbraw/zinc/22/96/86/1025229686.db2.gz AHUHXRPESIOOJQ-LAUBAEHRSA-N 2 0 323.484 3.911 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000539072329 1033267912 /nfs/dbraw/zinc/26/79/12/1033267912.db2.gz PPCCTYVTUJZIGS-GJYPPUQNSA-N 2 0 318.505 3.681 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000353753801 1025237737 /nfs/dbraw/zinc/23/77/37/1025237737.db2.gz PPNACUZIWYHIET-GUYCJALGSA-N 2 0 304.409 3.734 20 0 DHADRP Cc1cc2[nH+]ccn2cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170451046 1025295113 /nfs/dbraw/zinc/29/51/13/1025295113.db2.gz JPWMTTXIWPIULG-UHFFFAOYSA-N 2 0 300.450 3.706 20 0 DHADRP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353946938 1025303120 /nfs/dbraw/zinc/30/31/20/1025303120.db2.gz KBBDFVKKQMECJJ-KURKYZTESA-N 2 0 304.503 3.512 20 0 DHADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666638356 1025326074 /nfs/dbraw/zinc/32/60/74/1025326074.db2.gz DBIQCHSPAMUHFS-JZXOWHBKSA-N 2 0 302.462 3.610 20 0 DHADRP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000093089090 1025352818 /nfs/dbraw/zinc/35/28/18/1025352818.db2.gz AMVSSQGAZSOZRS-UHFFFAOYSA-N 2 0 318.358 3.618 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354206898 1025381461 /nfs/dbraw/zinc/38/14/61/1025381461.db2.gz LPGOLHAEUDQLDV-DOTOQJQBSA-N 2 0 313.445 3.646 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876440 1025407342 /nfs/dbraw/zinc/40/73/42/1025407342.db2.gz XYAFVXKDEAJQFE-IVMMDQJWSA-N 2 0 308.853 3.579 20 0 DHADRP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)C[NH+]1CCCCC1 ZINC000885927132 1025408739 /nfs/dbraw/zinc/40/87/39/1025408739.db2.gz NLQLOSVCETWJQC-ZWKOTPCHSA-N 2 0 308.510 3.580 20 0 DHADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000885948790 1025415572 /nfs/dbraw/zinc/41/55/72/1025415572.db2.gz FPXYASCEFFDTDO-UXHICEINSA-N 2 0 318.505 3.964 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885943907 1025415856 /nfs/dbraw/zinc/41/58/56/1025415856.db2.gz GIHJPPMHDGWQHR-GOSISDBHSA-N 2 0 310.526 3.970 20 0 DHADRP CO[C@@H]1CCC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000885969620 1025423595 /nfs/dbraw/zinc/42/35/95/1025423595.db2.gz YEUJNDXQHNDZKN-RTBURBONSA-N 2 0 310.526 3.970 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000925879748 1025425279 /nfs/dbraw/zinc/42/52/79/1025425279.db2.gz JRYZQORJBWPSAE-NFAWXSAZSA-N 2 0 310.869 3.905 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000886012448 1025437946 /nfs/dbraw/zinc/43/79/46/1025437946.db2.gz ICHQTEMEAPDXBI-MKCYZYCBSA-N 2 0 308.510 3.721 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000886012717 1025437991 /nfs/dbraw/zinc/43/79/91/1025437991.db2.gz NKBWMIQJEBARPR-UHFFFAOYSA-N 2 0 309.885 3.583 20 0 DHADRP Clc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000886012693 1025438418 /nfs/dbraw/zinc/43/84/18/1025438418.db2.gz MUGRQYCUZDXJCN-UHFFFAOYSA-N 2 0 307.869 3.622 20 0 DHADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000886012719 1025438695 /nfs/dbraw/zinc/43/86/95/1025438695.db2.gz NLPSNCQROGQTFI-OALUTQOASA-N 2 0 310.526 3.682 20 0 DHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000261674244 1025441289 /nfs/dbraw/zinc/44/12/89/1025441289.db2.gz HMUGFWMDDSOOQH-BRWVUGGUSA-N 2 0 324.415 3.688 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000354581581 1025462718 /nfs/dbraw/zinc/46/27/18/1025462718.db2.gz QLASQYHHFRZFIC-ZWKOTPCHSA-N 2 0 310.445 3.586 20 0 DHADRP Clc1scc(CN2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC000261679623 1025463731 /nfs/dbraw/zinc/46/37/31/1025463731.db2.gz AFGQTFSOBSOFMT-UHFFFAOYSA-N 2 0 305.274 3.630 20 0 DHADRP CO[C@@](C)(C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000643338922 1025477140 /nfs/dbraw/zinc/47/71/40/1025477140.db2.gz DWLQRNVNEFMYHK-FQEVSTJZSA-N 2 0 316.489 3.577 20 0 DHADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000125857330 1025494021 /nfs/dbraw/zinc/49/40/21/1025494021.db2.gz OGUKPAWWAZXWEF-CABCVRRESA-N 2 0 321.534 3.793 20 0 DHADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccc(F)c2)cn1 ZINC000126460277 1025511036 /nfs/dbraw/zinc/51/10/36/1025511036.db2.gz LOBMCARUCOWTDO-CYBMUJFWSA-N 2 0 310.376 3.566 20 0 DHADRP c1csc(CN2CCC[C@H](C[NH2+]C(C3CC3)C3CC3)C2)c1 ZINC000126796120 1025522299 /nfs/dbraw/zinc/52/22/99/1025522299.db2.gz DQTKYGGEWPAAQR-CQSZACIVSA-N 2 0 304.503 3.738 20 0 DHADRP C[C@@H](CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)OCc1ccccc1 ZINC000354870397 1025529104 /nfs/dbraw/zinc/52/91/04/1025529104.db2.gz ZFUBOZQOXLPMPI-ICSRJNTNSA-N 2 0 318.505 3.788 20 0 DHADRP Fc1cccc(/C=C\C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000886166227 1025541021 /nfs/dbraw/zinc/54/10/21/1025541021.db2.gz CJBDFNZKOXVKDX-RQOWECAXSA-N 2 0 302.437 3.551 20 0 DHADRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(OC)c1 ZINC000355068169 1025598163 /nfs/dbraw/zinc/59/81/63/1025598163.db2.gz QBUOWAJVBLFTSG-GOSISDBHSA-N 2 0 304.478 3.858 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000893966510 1025630301 /nfs/dbraw/zinc/63/03/01/1025630301.db2.gz BUGICCVLVTUPDX-UHFFFAOYSA-N 2 0 315.505 3.597 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205268 1025637041 /nfs/dbraw/zinc/63/70/41/1025637041.db2.gz JBPACQJKZGQMBW-NHCUHLMSSA-N 2 0 321.468 3.665 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069381325 1025640364 /nfs/dbraw/zinc/64/03/64/1025640364.db2.gz JHKGCOVKEFJMOA-HIFRSBDPSA-N 2 0 306.416 3.962 20 0 DHADRP Cc1csc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886522489 1025673768 /nfs/dbraw/zinc/67/37/68/1025673768.db2.gz KEWLCBSWDLZKCH-UQPPLGOBSA-N 2 0 307.507 3.899 20 0 DHADRP Cc1noc(C)c1C[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886530207 1025679587 /nfs/dbraw/zinc/67/95/87/1025679587.db2.gz GEEMBSYRVMBOFZ-ZCGYKAAXSA-N 2 0 319.493 3.609 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cnn(C)c1 ZINC000886536504 1025682874 /nfs/dbraw/zinc/68/28/74/1025682874.db2.gz JACMJBNADYVNQD-CTWPCTMYSA-N 2 0 318.509 3.504 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000886562396 1025710480 /nfs/dbraw/zinc/71/04/80/1025710480.db2.gz YOGMSDNLRJCRET-UHFFFAOYSA-N 2 0 307.869 3.622 20 0 DHADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000886588688 1025727867 /nfs/dbraw/zinc/72/78/67/1025727867.db2.gz XHDIHEBCYLMTGL-VXIBKDFQSA-N 2 0 308.510 3.577 20 0 DHADRP CC[C@H](COCC1CC1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886636318 1025751018 /nfs/dbraw/zinc/75/10/18/1025751018.db2.gz KYQWUFHJPYLSHD-LMDPOFIKSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@]1(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1(F)F ZINC000886637926 1025752671 /nfs/dbraw/zinc/75/26/71/1025752671.db2.gz IAOYVDSUSFNMMY-PCKAHOCUSA-N 2 0 300.437 3.809 20 0 DHADRP CC(C)[N@@H+]1CCc2nc(CN3CC[C@@H](C)C(C)(C)C3)sc2C1 ZINC000355521375 1025753594 /nfs/dbraw/zinc/75/35/94/1025753594.db2.gz YYUHSLZRMUHWDQ-CQSZACIVSA-N 2 0 321.534 3.778 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000886646889 1025755953 /nfs/dbraw/zinc/75/59/53/1025755953.db2.gz WTAVZQLKKDSSCQ-KAXARAQCSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1ncc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886644495 1025757139 /nfs/dbraw/zinc/75/71/39/1025757139.db2.gz DTMKJGLCYGTUQB-KTAKPFMOSA-N 2 0 307.507 3.899 20 0 DHADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000886646656 1025758161 /nfs/dbraw/zinc/75/81/61/1025758161.db2.gz OYVDZYDMYFDWDF-SOAISFHBSA-N 2 0 320.521 3.578 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCOC1 ZINC000886651539 1025762228 /nfs/dbraw/zinc/76/22/28/1025762228.db2.gz IYQQWABSJSNPRE-BKVYNOPKSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H]1CCC[C@H](C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000133644922 1025780333 /nfs/dbraw/zinc/78/03/33/1025780333.db2.gz GYOCYIGOEOZOJD-AEFFLSMTSA-N 2 0 301.478 3.714 20 0 DHADRP C[NH+](C)CCC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000056522243 1025901195 /nfs/dbraw/zinc/90/11/95/1025901195.db2.gz YCRMWUZLGDZYKM-UHFFFAOYSA-N 2 0 315.436 3.538 20 0 DHADRP CCOC[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411299888 1025929948 /nfs/dbraw/zinc/92/99/48/1025929948.db2.gz BCGQVDLKPHATDG-FQEVSTJZSA-N 2 0 316.489 3.531 20 0 DHADRP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293218405 1025966569 /nfs/dbraw/zinc/96/65/69/1025966569.db2.gz AIZGAVPEAOZYSY-RHSMWYFYSA-N 2 0 308.416 3.532 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(O)c1 ZINC000194881746 1025979963 /nfs/dbraw/zinc/97/99/63/1025979963.db2.gz SPOHWSQGJOUMEG-HKUYNNGSSA-N 2 0 324.468 3.607 20 0 DHADRP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000576166242 1026116352 /nfs/dbraw/zinc/11/63/52/1026116352.db2.gz KYYOLJIAZAIGRW-OAQYLSRUSA-N 2 0 322.452 3.678 20 0 DHADRP COCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290158817 1026121771 /nfs/dbraw/zinc/12/17/71/1026121771.db2.gz LUCCKZRXQPQIGT-AZUAARDMSA-N 2 0 318.505 3.693 20 0 DHADRP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647793612 1026280641 /nfs/dbraw/zinc/28/06/41/1026280641.db2.gz BVXYZQNPHVATCF-HUYLIWGRSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2nccc3ccccc32)C1 ZINC000894179459 1026328211 /nfs/dbraw/zinc/32/82/11/1026328211.db2.gz CLEGDVUTZBQRFO-KRWDZBQOSA-N 2 0 311.473 3.837 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000513334601 1026480793 /nfs/dbraw/zinc/48/07/93/1026480793.db2.gz ICJWNAILIKJKGG-LSTHTHJFSA-N 2 0 322.537 3.824 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513367503 1026487530 /nfs/dbraw/zinc/48/75/30/1026487530.db2.gz VEGPPWTVYPEOHW-QGZVFWFLSA-N 2 0 308.416 3.664 20 0 DHADRP Cc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000513488555 1026521568 /nfs/dbraw/zinc/52/15/68/1026521568.db2.gz XGCJGTUENMGUTE-QUCCMNQESA-N 2 0 323.484 3.780 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCc2c1c(F)ccc2F ZINC000513488286 1026526209 /nfs/dbraw/zinc/52/62/09/1026526209.db2.gz SDWVZFUIDXFDKA-DYVFJYSZSA-N 2 0 308.416 3.806 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000513667003 1026555427 /nfs/dbraw/zinc/55/54/27/1026555427.db2.gz PBOKMEKKEKJUKM-AABGKKOBSA-N 2 0 324.468 3.681 20 0 DHADRP CO[C@@H](C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924908348 1026555817 /nfs/dbraw/zinc/55/58/17/1026555817.db2.gz GTFTUWUXGHWPMB-OHSMVPPVSA-N 2 0 316.489 3.587 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000513683120 1026559259 /nfs/dbraw/zinc/55/92/59/1026559259.db2.gz GSRNZYZGCJVZMW-HKBOAZHASA-N 2 0 308.469 3.845 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc3cnccc3c2)cc1 ZINC000809738141 1026609910 /nfs/dbraw/zinc/60/99/10/1026609910.db2.gz QZXRQHFWZLSOTE-UHFFFAOYSA-N 2 0 319.452 3.928 20 0 DHADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000809738966 1026611737 /nfs/dbraw/zinc/61/17/37/1026611737.db2.gz RHRUPZYHVGTMEZ-NHCUHLMSSA-N 2 0 308.469 3.984 20 0 DHADRP Cc1ccncc1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000280268528 1026623042 /nfs/dbraw/zinc/62/30/42/1026623042.db2.gz LUIXYCMFVGLDKY-UHFFFAOYSA-N 2 0 301.478 3.523 20 0 DHADRP CCCCCC[C@H](CC)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001170590311 1026642961 /nfs/dbraw/zinc/64/29/61/1026642961.db2.gz HRUBKYZPMPJBHT-FHWLQOOXSA-N 2 0 310.526 3.968 20 0 DHADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000513698276 1026671294 /nfs/dbraw/zinc/67/12/94/1026671294.db2.gz YOWGZZJHJKKNJH-GVDBMIGSSA-N 2 0 304.503 3.679 20 0 DHADRP CCOc1cccc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000810252385 1026730127 /nfs/dbraw/zinc/73/01/27/1026730127.db2.gz OBMODBDIFJWXBE-OAHLLOKOSA-N 2 0 322.518 3.563 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000513717469 1026785422 /nfs/dbraw/zinc/78/54/22/1026785422.db2.gz OYQNRROYDRBEMA-CQSZACIVSA-N 2 0 310.432 3.748 20 0 DHADRP COc1ccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000420296896 1026797444 /nfs/dbraw/zinc/79/74/44/1026797444.db2.gz CLPQYHKEBDBRGV-IAGOWNOFSA-N 2 0 316.489 3.685 20 0 DHADRP c1ccc2sc([C@H]3CCC[N@H+]3CC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000420311480 1026799096 /nfs/dbraw/zinc/79/90/96/1026799096.db2.gz WAHWWDSSYZHSRW-GDBMZVCRSA-N 2 0 315.486 3.823 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000420302390 1026800560 /nfs/dbraw/zinc/80/05/60/1026800560.db2.gz FVVPWCVSFLGADV-UHFFFAOYSA-N 2 0 322.880 3.703 20 0 DHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000420300468 1026801379 /nfs/dbraw/zinc/80/13/79/1026801379.db2.gz HNAFAQXXPDSDIF-RDJZCZTQSA-N 2 0 316.470 3.636 20 0 DHADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)CCC2 ZINC000420319001 1026804667 /nfs/dbraw/zinc/80/46/67/1026804667.db2.gz RAGUYNOOBIDCGY-APWZRJJASA-N 2 0 302.437 3.525 20 0 DHADRP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000420317578 1026804786 /nfs/dbraw/zinc/80/47/86/1026804786.db2.gz ZLVAOHMXQIQNFM-ZMSDIMECSA-N 2 0 322.880 3.686 20 0 DHADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420332090 1026807298 /nfs/dbraw/zinc/80/72/98/1026807298.db2.gz RHEVGQYYCHBAMF-OXQOHEQNSA-N 2 0 324.468 3.588 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000420365876 1026808563 /nfs/dbraw/zinc/80/85/63/1026808563.db2.gz QLMCQEMICLPUTO-INIZCTEOSA-N 2 0 310.869 3.605 20 0 DHADRP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CCC[NH3+])c1 ZINC000420372645 1026809410 /nfs/dbraw/zinc/80/94/10/1026809410.db2.gz LQERSDDCDVCOFH-VQTJNVASSA-N 2 0 310.441 3.575 20 0 DHADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000420365879 1026810362 /nfs/dbraw/zinc/81/03/62/1026810362.db2.gz QLMCQEMICLPUTO-MRXNPFEDSA-N 2 0 310.869 3.605 20 0 DHADRP CCCC[C@@H](CC)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975296 1026903402 /nfs/dbraw/zinc/90/34/02/1026903402.db2.gz FNXZXCUOCAOLSI-LJQANCHMSA-N 2 0 323.569 3.695 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000421366790 1026966198 /nfs/dbraw/zinc/96/61/98/1026966198.db2.gz CVOSZOPNVZALDM-UHFFFAOYSA-N 2 0 315.486 3.773 20 0 DHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000421371553 1026968101 /nfs/dbraw/zinc/96/81/01/1026968101.db2.gz KYBMTPVCXLPWQL-UHFFFAOYSA-N 2 0 318.358 3.807 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000811484615 1027008810 /nfs/dbraw/zinc/00/88/10/1027008810.db2.gz DRQNQXMGMASOKR-UHFFFAOYSA-N 2 0 316.276 3.598 20 0 DHADRP CCC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000421875871 1027076568 /nfs/dbraw/zinc/07/65/68/1027076568.db2.gz KGAPSAKBMMTXMN-FAFZWHIHSA-N 2 0 304.478 3.999 20 0 DHADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000271756148 1027136392 /nfs/dbraw/zinc/13/63/92/1027136392.db2.gz DOOYTABOTLZYEG-SXLOBPIMSA-N 2 0 316.489 3.618 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000571703374 1027143335 /nfs/dbraw/zinc/14/33/35/1027143335.db2.gz GTWCXMCHOOTMCM-UHOSZYNNSA-N 2 0 316.489 3.685 20 0 DHADRP COc1ccc([C@@H](C)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271829310 1027153989 /nfs/dbraw/zinc/15/39/89/1027153989.db2.gz QPRINPNQPXKTAU-INIZCTEOSA-N 2 0 304.478 3.603 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271828778 1027154195 /nfs/dbraw/zinc/15/41/95/1027154195.db2.gz DONHDXGXDNPBAM-ZDUSSCGKSA-N 2 0 310.388 3.509 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663432 1027190837 /nfs/dbraw/zinc/19/08/37/1027190837.db2.gz BCLIEKLAFINXDV-YOEHRIQHSA-N 2 0 322.443 3.676 20 0 DHADRP CC[NH2+]CCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000572474077 1027207855 /nfs/dbraw/zinc/20/78/55/1027207855.db2.gz LFTDCKWNYKIUTI-GOSISDBHSA-N 2 0 317.864 3.608 20 0 DHADRP CC(C)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000573077870 1027261032 /nfs/dbraw/zinc/26/10/32/1027261032.db2.gz SGSOSYBATKMGNU-NSHGMRRFSA-N 2 0 318.505 3.863 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000422563708 1027286612 /nfs/dbraw/zinc/28/66/12/1027286612.db2.gz UKSIZDHMGLVPKG-IJEWVQPXSA-N 2 0 315.486 3.615 20 0 DHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(-c3ccncc3)c2)C[C@H]1C[NH3+] ZINC000422562675 1027287018 /nfs/dbraw/zinc/28/70/18/1027287018.db2.gz QQPKCIRZPYQDHX-GQIGUUNPSA-N 2 0 309.457 3.554 20 0 DHADRP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422700813 1027297253 /nfs/dbraw/zinc/29/72/53/1027297253.db2.gz CIZZSJNZVVOYSH-SCWSEQNSSA-N 2 0 322.452 3.902 20 0 DHADRP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422700810 1027297699 /nfs/dbraw/zinc/29/76/99/1027297699.db2.gz CIZZSJNZVVOYSH-LRQRDZAKSA-N 2 0 322.452 3.902 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000422730514 1027299116 /nfs/dbraw/zinc/29/91/16/1027299116.db2.gz JXSCNSGZSFYAEB-DLBZAZTESA-N 2 0 317.521 3.667 20 0 DHADRP C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC[NH+]1CCCCC1 ZINC000422711296 1027300390 /nfs/dbraw/zinc/30/03/90/1027300390.db2.gz GWDXWIGKWZVWLZ-SLFFLAALSA-N 3 0 321.553 3.543 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422739191 1027305516 /nfs/dbraw/zinc/30/55/16/1027305516.db2.gz KRLJEGKRKSTNOR-UTRMSSBJSA-N 2 0 304.453 3.830 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422726750 1027305567 /nfs/dbraw/zinc/30/55/67/1027305567.db2.gz AIOGBLCNZWWHMZ-KRWDZBQOSA-N 2 0 312.457 3.873 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000422766835 1027316279 /nfs/dbraw/zinc/31/62/79/1027316279.db2.gz MJNSSKHZBLYALD-OALUTQOASA-N 2 0 306.494 3.851 20 0 DHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000422777807 1027317175 /nfs/dbraw/zinc/31/71/75/1027317175.db2.gz GSZVVHZKZQVHIY-ZWOKBUDYSA-N 2 0 312.457 3.660 20 0 DHADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c2ccccc12 ZINC000573722320 1027319055 /nfs/dbraw/zinc/31/90/55/1027319055.db2.gz FBIXKCQJOPPZPJ-KRWDZBQOSA-N 2 0 324.468 3.670 20 0 DHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000422784760 1027321835 /nfs/dbraw/zinc/32/18/35/1027321835.db2.gz OLIBFIBIOGEDPG-SJORKVTESA-N 2 0 312.885 3.771 20 0 DHADRP Clc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422764311 1027321913 /nfs/dbraw/zinc/32/19/13/1027321913.db2.gz OGSXFKRMZZIKMX-KZNAEPCWSA-N 2 0 306.881 3.783 20 0 DHADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422794775 1027324848 /nfs/dbraw/zinc/32/48/48/1027324848.db2.gz ZJAFASIVBIKHAA-VHKYSDTDSA-N 2 0 310.441 3.751 20 0 DHADRP CCOc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)C)cc1OCC ZINC000422799691 1027327096 /nfs/dbraw/zinc/32/70/96/1027327096.db2.gz YAPWIJVIHNGSRV-ZRGWGRIASA-N 2 0 322.493 3.897 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422799257 1027328531 /nfs/dbraw/zinc/32/85/31/1027328531.db2.gz VXVYXPYYGXHKAW-QHAWAJNXSA-N 2 0 324.468 3.859 20 0 DHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCC1CCCC1 ZINC000422809296 1027331565 /nfs/dbraw/zinc/33/15/65/1027331565.db2.gz RSFQHDCUWNSTOJ-UYAOXDASSA-N 2 0 314.473 3.802 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422814952 1027332342 /nfs/dbraw/zinc/33/23/42/1027332342.db2.gz WNWOTGSJWANSHT-HGKSCXNLSA-N 2 0 314.473 3.801 20 0 DHADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1OC(F)F ZINC000422832601 1027333682 /nfs/dbraw/zinc/33/36/82/1027333682.db2.gz LDGZEDKIXPIIEP-OCCSQVGLSA-N 2 0 300.393 3.846 20 0 DHADRP Cc1ccc(SC2(C[NH2+][C@H](C)C3C[NH2+]C3)CCCC2)cc1 ZINC000422832832 1027334772 /nfs/dbraw/zinc/33/47/72/1027334772.db2.gz GEPRPQYUVYNJMH-OAHLLOKOSA-N 2 0 304.503 3.597 20 0 DHADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000422815362 1027337895 /nfs/dbraw/zinc/33/78/95/1027337895.db2.gz XMZNGALRQOPEIU-ILDUYXDCSA-N 2 0 321.412 3.720 20 0 DHADRP Cc1ccc(SC2(C[NH2+][C@H]3CCC[C@H]3[NH3+])CCCC2)cc1 ZINC000422838000 1027339462 /nfs/dbraw/zinc/33/94/62/1027339462.db2.gz NLKXHZCNINOJJK-SJORKVTESA-N 2 0 304.503 3.869 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+][C@H]3CCC[NH2+]CC3)c(C)c2c1 ZINC000422857918 1027343034 /nfs/dbraw/zinc/34/30/34/1027343034.db2.gz HPNBHARPRCQXIN-KGLIPLIRSA-N 2 0 302.418 3.543 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422860206 1027344224 /nfs/dbraw/zinc/34/42/24/1027344224.db2.gz KZZLVAMOBGEVBE-ROUUACIJSA-N 3 0 317.521 3.668 20 0 DHADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1Br ZINC000422892323 1027348915 /nfs/dbraw/zinc/34/89/15/1027348915.db2.gz MSYZUYYFYNUMOW-KOHJWAIASA-N 2 0 311.267 3.760 20 0 DHADRP CCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422891039 1027349680 /nfs/dbraw/zinc/34/96/80/1027349680.db2.gz ULNFEFUIACAEDK-XLIONFOSSA-N 2 0 314.473 3.802 20 0 DHADRP COc1ccc(C2(C[NH2+][C@H](C)CCC[NH3+])CCCCC2)cc1 ZINC000422903893 1027354974 /nfs/dbraw/zinc/35/49/74/1027354974.db2.gz PIOUWNRCCALBKG-MRXNPFEDSA-N 2 0 304.478 3.614 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422916157 1027356578 /nfs/dbraw/zinc/35/65/78/1027356578.db2.gz CMLCBWBZXPMCGB-SUMDDJOVSA-N 2 0 301.478 3.600 20 0 DHADRP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422915311 1027356940 /nfs/dbraw/zinc/35/69/40/1027356940.db2.gz ASULVSQBSMEHCS-CVEARBPZSA-N 2 0 311.473 3.747 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422912192 1027357631 /nfs/dbraw/zinc/35/76/31/1027357631.db2.gz MOILEVJCVDTLHB-OAHLLOKOSA-N 2 0 311.473 3.768 20 0 DHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422924954 1027360722 /nfs/dbraw/zinc/36/07/22/1027360722.db2.gz ZLTIFIMBJSEAMD-SWLSCSKDSA-N 2 0 312.860 3.734 20 0 DHADRP C[C@@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422926818 1027361484 /nfs/dbraw/zinc/36/14/84/1027361484.db2.gz XOVMJIBDSOTDIN-FRQCXROJSA-N 2 0 301.478 3.613 20 0 DHADRP CCOC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000574157043 1027369027 /nfs/dbraw/zinc/36/90/27/1027369027.db2.gz SOHQBWAMGYXQRM-GOSISDBHSA-N 2 0 316.489 3.588 20 0 DHADRP Cc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422965726 1027371913 /nfs/dbraw/zinc/37/19/13/1027371913.db2.gz LVPODBPFBPFTLB-ORYQWCPZSA-N 2 0 324.468 3.504 20 0 DHADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422957581 1027380970 /nfs/dbraw/zinc/38/09/70/1027380970.db2.gz NMBMOWNUVHOQIF-GUDVDZBRSA-N 2 0 316.489 3.699 20 0 DHADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422978951 1027381720 /nfs/dbraw/zinc/38/17/20/1027381720.db2.gz LDKAULDDJOTHNR-HAGHYFMRSA-N 2 0 315.505 3.633 20 0 DHADRP Fc1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422988451 1027384433 /nfs/dbraw/zinc/38/44/33/1027384433.db2.gz KNBDAKQCFJNTND-GBESFXJTSA-N 2 0 316.464 3.659 20 0 DHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)c2ccccc21 ZINC000422994804 1027387678 /nfs/dbraw/zinc/38/76/78/1027387678.db2.gz WIJUFHWONRERFQ-CGXNFDGLSA-N 2 0 322.452 3.859 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423015700 1027389325 /nfs/dbraw/zinc/38/93/25/1027389325.db2.gz LFAJQIYBTWQGHP-FIXISWKDSA-N 2 0 300.368 3.872 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006308 1027389860 /nfs/dbraw/zinc/38/98/60/1027389860.db2.gz VBAPSDXDMVAOMX-HNNXBMFYSA-N 2 0 316.420 3.878 20 0 DHADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423006498 1027391086 /nfs/dbraw/zinc/39/10/86/1027391086.db2.gz VMUQPJRBQIZLNO-RTBURBONSA-N 2 0 310.441 3.707 20 0 DHADRP COc1cccc(C(C)(C)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423006496 1027391632 /nfs/dbraw/zinc/39/16/32/1027391632.db2.gz VMUQPJRBQIZLNO-OALUTQOASA-N 2 0 310.441 3.707 20 0 DHADRP Cc1cccc([C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccn2)c1 ZINC000423020865 1027392609 /nfs/dbraw/zinc/39/26/09/1027392609.db2.gz CZVASNJPIOIUMZ-NLPFYKDJSA-N 2 0 309.457 3.587 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423030881 1027397303 /nfs/dbraw/zinc/39/73/03/1027397303.db2.gz KBOZVNTUXZDYDO-WLHONDITSA-N 2 0 304.453 3.830 20 0 DHADRP COc1ccc(C2(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000423033852 1027398269 /nfs/dbraw/zinc/39/82/69/1027398269.db2.gz OYALGURPEHVHIY-UXHICEINSA-N 2 0 322.452 3.851 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423041542 1027399338 /nfs/dbraw/zinc/39/93/38/1027399338.db2.gz JJMOKCFFMXUTNH-STQMWFEESA-N 2 0 302.384 3.744 20 0 DHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423041025 1027400791 /nfs/dbraw/zinc/40/07/91/1027400791.db2.gz IIVDXLXGVJYLGN-MKXGPGLRSA-N 2 0 321.553 3.540 20 0 DHADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423054828 1027402396 /nfs/dbraw/zinc/40/23/96/1027402396.db2.gz VGGONUVGQFSNPW-GUDVDZBRSA-N 2 0 312.457 3.794 20 0 DHADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423075376 1027408267 /nfs/dbraw/zinc/40/82/67/1027408267.db2.gz OKIDIDQKFRUBRE-HZPDHXFCSA-N 2 0 310.441 3.524 20 0 DHADRP COCCCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423082832 1027411000 /nfs/dbraw/zinc/41/10/00/1027411000.db2.gz DVEJZDYTAQCCGA-NKELODKYSA-N 2 0 304.478 3.652 20 0 DHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423095065 1027413283 /nfs/dbraw/zinc/41/32/83/1027413283.db2.gz LHFQPQAHLZLGNM-DARAHFNDSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423095838 1027415425 /nfs/dbraw/zinc/41/54/25/1027415425.db2.gz NEAPGHROFUNOKK-WJNVRWDZSA-N 2 0 300.368 3.667 20 0 DHADRP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423117954 1027416818 /nfs/dbraw/zinc/41/68/18/1027416818.db2.gz XXCZVQXNZKUGNG-TZMCWYRMSA-N 2 0 315.486 3.982 20 0 DHADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000423122349 1027421481 /nfs/dbraw/zinc/42/14/81/1027421481.db2.gz KJTZZGWXCZXUMM-XWPNQZOQSA-N 2 0 308.425 3.641 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423124219 1027421805 /nfs/dbraw/zinc/42/18/05/1027421805.db2.gz MGKSXSXWZJILAM-OTYXRUKQSA-N 2 0 322.321 3.591 20 0 DHADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423129587 1027421821 /nfs/dbraw/zinc/42/18/21/1027421821.db2.gz FMRMWQRVDVOQJJ-WRWLIDTKSA-N 2 0 314.473 3.658 20 0 DHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423104783 1027424335 /nfs/dbraw/zinc/42/43/35/1027424335.db2.gz YOXITRZPRINQRU-YZUHTNEWSA-N 2 0 310.844 3.917 20 0 DHADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000423103712 1027425412 /nfs/dbraw/zinc/42/54/12/1027425412.db2.gz XXEANTRTKGBDSC-PWIZWCRZSA-N 2 0 313.489 3.518 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000423128676 1027425887 /nfs/dbraw/zinc/42/58/87/1027425887.db2.gz WENPWUARWOXWDO-FPOVZHCZSA-N 2 0 324.468 3.711 20 0 DHADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000423104828 1027426115 /nfs/dbraw/zinc/42/61/15/1027426115.db2.gz QDLWYFGKHCWLEX-BQFCYCMXSA-N 2 0 309.457 3.754 20 0 DHADRP CSc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423112983 1027427531 /nfs/dbraw/zinc/42/75/31/1027427531.db2.gz XXCZVQXNZKUGNG-OCCSQVGLSA-N 2 0 315.486 3.982 20 0 DHADRP CC(C)c1ccc(O[C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423112872 1027428887 /nfs/dbraw/zinc/42/88/87/1027428887.db2.gz SOJNQXBVQXHFPW-HJOIGYKYSA-N 2 0 304.478 3.684 20 0 DHADRP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423144997 1027429541 /nfs/dbraw/zinc/42/95/41/1027429541.db2.gz IPFYFMVTIRNYQU-ZWQIFLOQSA-N 2 0 320.427 3.853 20 0 DHADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCC1 ZINC000423153907 1027432546 /nfs/dbraw/zinc/43/25/46/1027432546.db2.gz OBIMYIDJPKKVCE-FXAWDEMLSA-N 2 0 314.473 3.658 20 0 DHADRP CCSc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423133621 1027434641 /nfs/dbraw/zinc/43/46/41/1027434641.db2.gz QQUQNPQURUANIZ-ZDUSSCGKSA-N 2 0 315.486 3.812 20 0 DHADRP [NH3+]C1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000423207344 1027446388 /nfs/dbraw/zinc/44/63/88/1027446388.db2.gz COPHSDFALPBCHG-GPANFISMSA-N 2 0 323.278 3.760 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423206995 1027446798 /nfs/dbraw/zinc/44/67/98/1027446798.db2.gz XNFKDSVFCJBNCD-KFKAGJAMSA-N 2 0 316.489 3.829 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000423212432 1027450092 /nfs/dbraw/zinc/45/00/92/1027450092.db2.gz LVXONLKTKFJZJL-YXJHDRRASA-N 2 0 306.881 3.955 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423217166 1027459955 /nfs/dbraw/zinc/45/99/55/1027459955.db2.gz PJYMZZZTAYKCGG-KBHBFKLGSA-N 2 0 303.475 3.648 20 0 DHADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC[C@H](C)[NH3+])CCC3)cc1 ZINC000423227245 1027464848 /nfs/dbraw/zinc/46/48/48/1027464848.db2.gz VBEOAMAGVIBUFW-DZGCQCFKSA-N 2 0 315.486 3.823 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1cc(Br)cs1)[C@@H]1CCC[NH2+]C1 ZINC000423221981 1027466311 /nfs/dbraw/zinc/46/63/11/1027466311.db2.gz ZAAAASVJQAGTTA-OUAUKWLOSA-N 2 0 317.296 3.549 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000423246455 1027471921 /nfs/dbraw/zinc/47/19/21/1027471921.db2.gz KBYQKXJHSPARKF-YXJHDRRASA-N 2 0 306.881 3.955 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246056 1027472711 /nfs/dbraw/zinc/47/27/11/1027472711.db2.gz JTEJUFTVOZRBHB-DZGCQCFKSA-N 2 0 312.910 3.800 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423241146 1027473186 /nfs/dbraw/zinc/47/31/86/1027473186.db2.gz DECUGAIGEJKXDC-STQMWFEESA-N 2 0 319.449 3.599 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423251362 1027475771 /nfs/dbraw/zinc/47/57/71/1027475771.db2.gz RWEQRGWRZCGXMC-NQIIRXRSSA-N 2 0 324.468 3.568 20 0 DHADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423251361 1027476111 /nfs/dbraw/zinc/47/61/11/1027476111.db2.gz RWEQRGWRZCGXMC-GHTZIAJQSA-N 2 0 324.468 3.568 20 0 DHADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423255515 1027477820 /nfs/dbraw/zinc/47/78/20/1027477820.db2.gz AHCKLZHUWYPQQN-YXJHDRRASA-N 2 0 306.881 3.955 20 0 DHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423255712 1027478906 /nfs/dbraw/zinc/47/89/06/1027478906.db2.gz ANZGPHIKQNXZKX-CVEARBPZSA-N 2 0 312.457 3.868 20 0 DHADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423253089 1027478996 /nfs/dbraw/zinc/47/89/96/1027478996.db2.gz VCAKKPAWBDFCMX-RYRKJORJSA-N 2 0 306.881 3.640 20 0 DHADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423259584 1027479402 /nfs/dbraw/zinc/47/94/02/1027479402.db2.gz OIUMIGFWGFURSQ-HOTGVXAUSA-N 2 0 312.457 3.889 20 0 DHADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000423261179 1027479657 /nfs/dbraw/zinc/47/96/57/1027479657.db2.gz RPCCBUHQHVMHNJ-CVEARBPZSA-N 2 0 320.477 3.524 20 0 DHADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423287144 1027482996 /nfs/dbraw/zinc/48/29/96/1027482996.db2.gz KMWSCBHLDCJLFM-TZMCWYRMSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000423291183 1027485977 /nfs/dbraw/zinc/48/59/77/1027485977.db2.gz HECBZNWWEKDMQT-ACJLOTCBSA-N 2 0 314.404 3.849 20 0 DHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000423293564 1027486911 /nfs/dbraw/zinc/48/69/11/1027486911.db2.gz RSZSYZWIEQIACV-HOTGVXAUSA-N 2 0 320.440 3.743 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C12CCCC2 ZINC000423291144 1027487230 /nfs/dbraw/zinc/48/72/30/1027487230.db2.gz HABBCHHLBGQHAZ-BMGDILEWSA-N 2 0 302.462 3.534 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423272639 1027490707 /nfs/dbraw/zinc/49/07/07/1027490707.db2.gz JZGLLEZJFZBZTE-NUEKZKHPSA-N 2 0 314.395 3.914 20 0 DHADRP Cc1nccn1CCCC[NH2+][C@@H](C)COCC1CCCCC1 ZINC000932420828 1027491230 /nfs/dbraw/zinc/49/12/30/1027491230.db2.gz IIOCXPQAIVMXHJ-INIZCTEOSA-N 2 0 307.482 3.547 20 0 DHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423278280 1027493855 /nfs/dbraw/zinc/49/38/55/1027493855.db2.gz QMGITKXNFXJKCF-SWLSCSKDSA-N 2 0 302.384 3.599 20 0 DHADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(-c2ccccc2Cl)s1 ZINC000423307076 1027496467 /nfs/dbraw/zinc/49/64/67/1027496467.db2.gz VGELLJLMZPSIQZ-LLVKDONJSA-N 2 0 306.862 3.939 20 0 DHADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000423309429 1027496543 /nfs/dbraw/zinc/49/65/43/1027496543.db2.gz ZSCZQRPQVDWDIA-LLVKDONJSA-N 2 0 306.862 3.939 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423294566 1027498942 /nfs/dbraw/zinc/49/89/42/1027498942.db2.gz UVZRKXSJJQMKJL-KBPBESRZSA-N 2 0 311.429 3.516 20 0 DHADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCC1 ZINC000423322376 1027499595 /nfs/dbraw/zinc/49/95/95/1027499595.db2.gz IIJIWEJCQWGCNN-GJZGRUSLSA-N 2 0 312.379 3.813 20 0 DHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Br)s1 ZINC000423316419 1027500758 /nfs/dbraw/zinc/50/07/58/1027500758.db2.gz ASSHFSVVXZPDNE-SNVBAGLBSA-N 2 0 317.296 3.551 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cs1 ZINC000295957236 1027502096 /nfs/dbraw/zinc/50/20/96/1027502096.db2.gz LVKFOCXOFKGMFQ-OAHLLOKOSA-N 2 0 318.486 3.848 20 0 DHADRP CC1(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000423321962 1027507109 /nfs/dbraw/zinc/50/71/09/1027507109.db2.gz GRGRINLRSKXLOF-AWEZNQCLSA-N 2 0 313.272 3.960 20 0 DHADRP [NH3+]CCCC[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423323973 1027507959 /nfs/dbraw/zinc/50/79/59/1027507959.db2.gz JTQXLTOPDXJVJN-HXUWFJFHSA-N 2 0 323.415 3.792 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423328756 1027510889 /nfs/dbraw/zinc/51/08/89/1027510889.db2.gz ASUSXSSIPQBPGR-CYBMUJFWSA-N 2 0 313.470 3.689 20 0 DHADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423325879 1027511013 /nfs/dbraw/zinc/51/10/13/1027511013.db2.gz JYAVZPCRBPBAAG-HNNXBMFYSA-N 2 0 312.404 3.718 20 0 DHADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)c(C)c2c1 ZINC000423324649 1027511103 /nfs/dbraw/zinc/51/11/03/1027511103.db2.gz IUOXZZGLHXKDDR-AUUYWEPGSA-N 2 0 316.445 3.790 20 0 DHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423341241 1027515257 /nfs/dbraw/zinc/51/52/57/1027515257.db2.gz KEAXQCJCRMJUGT-MRXNPFEDSA-N 2 0 322.452 3.933 20 0 DHADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000423372202 1027516609 /nfs/dbraw/zinc/51/66/09/1027516609.db2.gz GWRNPFYIBAQFTA-LAUBAEHRSA-N 2 0 306.453 3.791 20 0 DHADRP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)cc1 ZINC000423372262 1027517574 /nfs/dbraw/zinc/51/75/74/1027517574.db2.gz HAXWUUNJTLZOGS-NLWGTHIKSA-N 2 0 310.441 3.644 20 0 DHADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423353489 1027517950 /nfs/dbraw/zinc/51/79/50/1027517950.db2.gz LTZNUXCILZVHON-OAHLLOKOSA-N 2 0 314.351 3.546 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC[NH2+]1 ZINC000423373582 1027518178 /nfs/dbraw/zinc/51/81/78/1027518178.db2.gz HKMWAXZVNOAXMU-BPAFIMBUSA-N 2 0 312.432 3.840 20 0 DHADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423356349 1027520433 /nfs/dbraw/zinc/52/04/33/1027520433.db2.gz GPAYZFFUXSWTFM-HUUCEWRRSA-N 2 0 311.267 3.632 20 0 DHADRP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(F)ccc1F ZINC000423370301 1027524839 /nfs/dbraw/zinc/52/48/39/1027524839.db2.gz FOYWKKDLGREJTH-SFHVURJKSA-N 2 0 302.368 3.809 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423383926 1027526522 /nfs/dbraw/zinc/52/65/22/1027526522.db2.gz FQLWUKVEYUPXFE-WBAXXEDZSA-N 2 0 302.462 3.611 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000423385749 1027526638 /nfs/dbraw/zinc/52/66/38/1027526638.db2.gz GZDNKNOMUQVDLA-TYNCELHUSA-N 2 0 314.445 3.692 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423376999 1027526785 /nfs/dbraw/zinc/52/67/85/1027526785.db2.gz VLBQGPMTXLSFLM-ZJOUEHCJSA-N 2 0 324.468 3.839 20 0 DHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2cccc(Br)c21 ZINC000423386484 1027532236 /nfs/dbraw/zinc/53/22/36/1027532236.db2.gz HGLDMVGRRSUPKQ-FKGLVLAHSA-N 2 0 323.278 3.585 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000423398447 1027533420 /nfs/dbraw/zinc/53/34/20/1027533420.db2.gz OYQUVDGJIUUISH-FUHIMQAGSA-N 2 0 308.469 3.795 20 0 DHADRP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423394783 1027533975 /nfs/dbraw/zinc/53/39/75/1027533975.db2.gz SIRIPJNGZXZAQF-WDYCEAGBSA-N 2 0 304.478 3.903 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423393909 1027535677 /nfs/dbraw/zinc/53/56/77/1027535677.db2.gz MJUFQLNFJBXFHW-LYRGGWFBSA-N 2 0 312.379 3.744 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423446353 1027542914 /nfs/dbraw/zinc/54/29/14/1027542914.db2.gz CNCLDSSGWPLOCS-LIRRHRJNSA-N 2 0 309.413 3.634 20 0 DHADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000423443018 1027543717 /nfs/dbraw/zinc/54/37/17/1027543717.db2.gz QBYYNFQHMPEXOB-DIOULYMOSA-N 2 0 312.379 3.744 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423442121 1027545150 /nfs/dbraw/zinc/54/51/50/1027545150.db2.gz UXJPOQDVMOCRRR-KBPBESRZSA-N 2 0 303.475 3.978 20 0 DHADRP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1SC ZINC000296116338 1027546443 /nfs/dbraw/zinc/54/64/43/1027546443.db2.gz ZTRNRPUZJLAPGA-WWTUQBGBSA-N 2 0 320.502 3.693 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423428071 1027547030 /nfs/dbraw/zinc/54/70/30/1027547030.db2.gz JAGVQHUDZAIWFA-MRXNPFEDSA-N 3 0 311.558 3.773 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449374 1027547653 /nfs/dbraw/zinc/54/76/53/1027547653.db2.gz WHXGGDSIIZXHBC-QXAKKESOSA-N 2 0 309.457 3.523 20 0 DHADRP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccsc2S1 ZINC000423440786 1027553073 /nfs/dbraw/zinc/55/30/73/1027553073.db2.gz OUFWDMSLYNQBRB-FBUXBERBSA-N 2 0 308.516 3.651 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423482587 1027555665 /nfs/dbraw/zinc/55/56/65/1027555665.db2.gz YELUDBVFHAGIFY-LZWOXQAQSA-N 2 0 315.486 3.978 20 0 DHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCS2 ZINC000423478730 1027560391 /nfs/dbraw/zinc/56/03/91/1027560391.db2.gz LFBNWRWLBUYURE-NVXWUHKLSA-N 2 0 304.503 3.962 20 0 DHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000423477748 1027561423 /nfs/dbraw/zinc/56/14/23/1027561423.db2.gz KIBWLNZCONTWRQ-STQMWFEESA-N 2 0 311.267 3.632 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)ccc1OC ZINC000423476207 1027561827 /nfs/dbraw/zinc/56/18/27/1027561827.db2.gz QVMWNOYPTYOLLM-BJJXKVORSA-N 2 0 310.869 3.907 20 0 DHADRP COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)c2ccccc2)cc1 ZINC000423502814 1027565026 /nfs/dbraw/zinc/56/50/26/1027565026.db2.gz KFKQDDYNDMCBFR-ZAAXVRCTSA-N 2 0 310.441 3.502 20 0 DHADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1(C)C ZINC000423504351 1027566615 /nfs/dbraw/zinc/56/66/15/1027566615.db2.gz GWFSEPZKPULUHJ-RCCFBDPRSA-N 2 0 304.478 3.648 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423484194 1027571227 /nfs/dbraw/zinc/57/12/27/1027571227.db2.gz ZYWWGMROAHZUCH-DZKIICNBSA-N 2 0 315.486 3.978 20 0 DHADRP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423485591 1027571674 /nfs/dbraw/zinc/57/16/74/1027571674.db2.gz AZYDLKRIAILVRE-YQQAZPJKSA-N 2 0 320.477 3.652 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423491044 1027573771 /nfs/dbraw/zinc/57/37/71/1027573771.db2.gz IYKMPSZNSTYUOG-YUELXQCFSA-N 2 0 312.910 3.928 20 0 DHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cs2)cs1 ZINC000423495699 1027574438 /nfs/dbraw/zinc/57/44/38/1027574438.db2.gz UZOZKOYHKCIOGS-ZKYQVNSYSA-N 2 0 321.515 3.958 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)C2CC3CC(C2)CC1C3 ZINC000423531760 1027575276 /nfs/dbraw/zinc/57/52/76/1027575276.db2.gz UAXGQBOMRDVJBS-OEOKKZFJSA-N 2 0 308.485 3.648 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423518995 1027577173 /nfs/dbraw/zinc/57/71/73/1027577173.db2.gz CXHNALMXNKNPJB-OLZOCXBDSA-N 2 0 303.475 3.520 20 0 DHADRP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539763 1027583365 /nfs/dbraw/zinc/58/33/65/1027583365.db2.gz ISMRROQNSIQXAB-NPSOMJIGSA-N 2 0 304.865 3.695 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1(c2ccccc2)CCCC1 ZINC000423538323 1027583772 /nfs/dbraw/zinc/58/37/72/1027583772.db2.gz GCGWNJWEBSQQOU-JRBPQWBISA-N 2 0 312.501 3.865 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1(c2ccccc2)CCCC1 ZINC000423538322 1027584705 /nfs/dbraw/zinc/58/47/05/1027584705.db2.gz GCGWNJWEBSQQOU-HLNWXESRSA-N 2 0 312.501 3.865 20 0 DHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000423546488 1027586287 /nfs/dbraw/zinc/58/62/87/1027586287.db2.gz FIOMXJOQYWORON-LBPRGKRZSA-N 2 0 314.351 3.546 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423553947 1027587403 /nfs/dbraw/zinc/58/74/03/1027587403.db2.gz WJHFHJUHYWTGQR-PMOUVXMZSA-N 2 0 321.534 3.788 20 0 DHADRP Cc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccn1 ZINC000527532055 1027738205 /nfs/dbraw/zinc/73/82/05/1027738205.db2.gz AFZNGZPLQWSYBN-SFHVURJKSA-N 2 0 315.505 3.867 20 0 DHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000577395508 1027763150 /nfs/dbraw/zinc/76/31/50/1027763150.db2.gz MLUIEVWALKSHBF-CHWSQXEVSA-N 2 0 302.384 3.744 20 0 DHADRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccn1 ZINC000527641334 1027798107 /nfs/dbraw/zinc/79/81/07/1027798107.db2.gz SXPLMVAGKTYAJP-KRWDZBQOSA-N 2 0 323.484 3.912 20 0 DHADRP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000365365366 1027930752 /nfs/dbraw/zinc/93/07/52/1027930752.db2.gz QNEBYLFLJASRMO-HNNXBMFYSA-N 2 0 313.445 3.676 20 0 DHADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000563275063 1027969926 /nfs/dbraw/zinc/96/99/26/1027969926.db2.gz BNJZMBWPFXLDOU-GGPKGHCWSA-N 2 0 317.521 3.532 20 0 DHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527981508 1028001071 /nfs/dbraw/zinc/00/10/71/1028001071.db2.gz KFBNTHWMJFQFIW-GGPKGHCWSA-N 2 0 313.489 3.628 20 0 DHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000528000104 1028024179 /nfs/dbraw/zinc/02/41/79/1028024179.db2.gz FFOWHUHIKNTIMS-GELUBGBASA-N 2 0 313.445 3.643 20 0 DHADRP c1ccc(CCC[C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000563462692 1028059795 /nfs/dbraw/zinc/05/97/95/1028059795.db2.gz OITQWZVERBQCRO-FQEVSTJZSA-N 2 0 300.490 3.960 20 0 DHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1sccc1Br ZINC000578126449 1028061031 /nfs/dbraw/zinc/06/10/31/1028061031.db2.gz DHGDSGAAZPYSKC-QWRGUYRKSA-N 2 0 317.296 3.551 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC1 ZINC000367187790 1028145792 /nfs/dbraw/zinc/14/57/92/1028145792.db2.gz QGEXJPOOIXHPSI-PPUGGXLSSA-N 2 0 308.416 3.673 20 0 DHADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](Cc1ccccc1C)C1CC1)CCC2 ZINC000367436257 1028185261 /nfs/dbraw/zinc/18/52/61/1028185261.db2.gz FAYBJQFYDIGJQP-VQTJNVASSA-N 2 0 323.484 3.988 20 0 DHADRP c1ccc(CC[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000578617124 1028195564 /nfs/dbraw/zinc/19/55/64/1028195564.db2.gz YOJIGPGHKOTZNQ-NRFANRHFSA-N 2 0 308.469 3.950 20 0 DHADRP CC[NH+]1CCC(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000578805664 1028245874 /nfs/dbraw/zinc/24/58/74/1028245874.db2.gz ZRIYNYKATKAGGA-UHFFFAOYSA-N 2 0 306.397 3.588 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000449008801 1028256910 /nfs/dbraw/zinc/25/69/10/1028256910.db2.gz FQKNKPJTSVUJSN-UHFFFAOYSA-N 2 0 304.478 3.557 20 0 DHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000578879359 1028261960 /nfs/dbraw/zinc/26/19/60/1028261960.db2.gz OTAZWMIEQIYTTH-XJFOESAGSA-N 2 0 303.475 3.505 20 0 DHADRP C[N@H+](CCCNCc1cc2cccnc2o1)C1CCCCC1 ZINC000449059126 1028295107 /nfs/dbraw/zinc/29/51/07/1028295107.db2.gz AKRQLPLQRJMUBO-UHFFFAOYSA-N 2 0 301.434 3.572 20 0 DHADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCCc1cncn1C ZINC000579122881 1028328231 /nfs/dbraw/zinc/32/82/31/1028328231.db2.gz AKJQJOIKEBHLKZ-CQSZACIVSA-N 2 0 320.506 3.934 20 0 DHADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000449069051 1028329488 /nfs/dbraw/zinc/32/94/88/1028329488.db2.gz VOKIGMHRGREYSF-QAPCUYQASA-N 2 0 304.503 3.514 20 0 DHADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449072423 1028335261 /nfs/dbraw/zinc/33/52/61/1028335261.db2.gz KDTLHEWRCCUGAO-QMTHXVAHSA-N 2 0 323.362 3.522 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449082526 1028347198 /nfs/dbraw/zinc/34/71/98/1028347198.db2.gz NWLSALFVWIGWIP-IYBDPMFKSA-N 2 0 315.461 3.676 20 0 DHADRP C[C@H](CC[NH+](C)C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449106749 1028358436 /nfs/dbraw/zinc/35/84/36/1028358436.db2.gz JJUCRHJSAQPJBU-MRXNPFEDSA-N 2 0 311.558 3.595 20 0 DHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCC1 ZINC000449125227 1028381810 /nfs/dbraw/zinc/38/18/10/1028381810.db2.gz RBMZEZARKBVVDF-ICSRJNTNSA-N 2 0 300.490 3.719 20 0 DHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000449133872 1028390048 /nfs/dbraw/zinc/39/00/48/1028390048.db2.gz FQZAPSYVRFVLFF-INIZCTEOSA-N 2 0 318.530 3.567 20 0 DHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000579580851 1028441304 /nfs/dbraw/zinc/44/13/04/1028441304.db2.gz TWUFHZLROYOQTM-CYBMUJFWSA-N 2 0 318.490 3.552 20 0 DHADRP C[C@H](CO)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449209250 1028445836 /nfs/dbraw/zinc/44/58/36/1028445836.db2.gz UNGBFAJQTGUXQL-INIZCTEOSA-N 2 0 312.542 3.664 20 0 DHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000449198321 1028451005 /nfs/dbraw/zinc/45/10/05/1028451005.db2.gz BCEWHICZCYOMGS-QGZVFWFLSA-N 2 0 312.501 3.862 20 0 DHADRP COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)cc2ccccc21 ZINC000449287891 1028495948 /nfs/dbraw/zinc/49/59/48/1028495948.db2.gz XNKWMUMYRSVTFD-SFHVURJKSA-N 2 0 312.457 3.765 20 0 DHADRP Cc1cccc(CC[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000449294271 1028534384 /nfs/dbraw/zinc/53/43/84/1028534384.db2.gz KYTVYWJAXMSOLJ-NRFANRHFSA-N 2 0 308.469 3.649 20 0 DHADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000449345781 1028555956 /nfs/dbraw/zinc/55/59/56/1028555956.db2.gz JUZICOXPBFRDHU-AEFFLSMTSA-N 2 0 308.510 3.578 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)(C)O ZINC000449345888 1028560054 /nfs/dbraw/zinc/56/00/54/1028560054.db2.gz XOXNZZDSLGEVMU-MRXNPFEDSA-N 2 0 312.542 3.805 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000565227132 1028560853 /nfs/dbraw/zinc/56/08/53/1028560853.db2.gz RNUWRSSJJBIRLC-GJZGRUSLSA-N 2 0 312.379 3.597 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000370150292 1028573220 /nfs/dbraw/zinc/57/32/20/1028573220.db2.gz RHDJKOZKGBBNIO-LJQANCHMSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000370252051 1028580478 /nfs/dbraw/zinc/58/04/78/1028580478.db2.gz MLERFEHIEQGOGD-CVAIRZPRSA-N 2 0 310.441 3.736 20 0 DHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCC3CCOCC3)CC2)C1 ZINC000449354448 1028588325 /nfs/dbraw/zinc/58/83/25/1028588325.db2.gz NPDXEUBZZCKOFI-FXAWDEMLSA-N 2 0 322.537 3.826 20 0 DHADRP C[C@@H](CCO)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449360572 1028592615 /nfs/dbraw/zinc/59/26/15/1028592615.db2.gz UYOLAIJYZWSBSZ-MRXNPFEDSA-N 2 0 312.542 3.664 20 0 DHADRP COc1cccc(C2=CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000370503348 1028610555 /nfs/dbraw/zinc/61/05/55/1028610555.db2.gz ROZVLIMNUOPLHF-IBGZPJMESA-N 2 0 314.473 3.659 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000565618032 1028611198 /nfs/dbraw/zinc/61/11/98/1028611198.db2.gz AFOAQHSJNGZTPW-KHYOSLBOSA-N 2 0 311.473 3.926 20 0 DHADRP CC(C)(C)c1csc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000566004108 1028665546 /nfs/dbraw/zinc/66/55/46/1028665546.db2.gz RNFLGGWNJVBOKC-CABCVRRESA-N 2 0 315.486 3.718 20 0 DHADRP CCc1cccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000566073002 1028675162 /nfs/dbraw/zinc/67/51/62/1028675162.db2.gz JHWOUVZLSPUUCR-UHFFFAOYSA-N 2 0 300.421 3.740 20 0 DHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000566230295 1028691341 /nfs/dbraw/zinc/69/13/41/1028691341.db2.gz ZWYMLGJXWDNGHO-KGLIPLIRSA-N 2 0 318.411 3.812 20 0 DHADRP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000449513002 1028737587 /nfs/dbraw/zinc/73/75/87/1028737587.db2.gz RCXAWSSUCIVBOZ-UXHICEINSA-N 2 0 324.553 3.662 20 0 DHADRP CC1CC[NH+](C[C@H]2CCC[N@@H+](C3CC(OC(C)(C)C)C3)C2)CC1 ZINC000566760243 1028774621 /nfs/dbraw/zinc/77/46/21/1028774621.db2.gz JUUWHJXMLLNSPT-LMDPOFIKSA-N 2 0 322.537 3.776 20 0 DHADRP CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000449565359 1028810335 /nfs/dbraw/zinc/81/03/35/1028810335.db2.gz IKRFAOXIZRMKPB-HUUCEWRRSA-N 2 0 323.444 3.809 20 0 DHADRP CC[C@H](CSC)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000566972823 1028811093 /nfs/dbraw/zinc/81/10/93/1028811093.db2.gz AJFBPGBOLPHSCD-QZTJIDSGSA-N 2 0 318.530 3.915 20 0 DHADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H](O)CC ZINC000449646127 1028876947 /nfs/dbraw/zinc/87/69/47/1028876947.db2.gz NHMOUFBFWHDMCF-SJORKVTESA-N 2 0 312.542 3.805 20 0 DHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@]3(C)CCCS3)C2)CC1 ZINC000628156697 1028910691 /nfs/dbraw/zinc/91/06/91/1028910691.db2.gz ZHFCZRIFZNSANH-ROUUACIJSA-N 2 0 310.551 3.716 20 0 DHADRP COc1ccc(Oc2ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000567613347 1028928013 /nfs/dbraw/zinc/92/80/13/1028928013.db2.gz ZNTUWVPBRJUVNX-LSDHHAIUSA-N 2 0 314.429 3.703 20 0 DHADRP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)sc1Br ZINC000567639329 1028930845 /nfs/dbraw/zinc/93/08/45/1028930845.db2.gz HHBXLKMTUGASOU-LLVKDONJSA-N 2 0 319.312 3.858 20 0 DHADRP COC1(C[C@@H](C)[NH2+]C2CCN(Cc3ccsc3)CC2)CCC1 ZINC000372997174 1028931393 /nfs/dbraw/zinc/93/13/93/1028931393.db2.gz MZIBQESBSIEYJB-OAHLLOKOSA-N 2 0 322.518 3.650 20 0 DHADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000628228205 1028949287 /nfs/dbraw/zinc/94/92/87/1028949287.db2.gz HQCWCYDEADZAFK-LFGUQSLTSA-N 2 0 322.537 3.560 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000628236700 1028954349 /nfs/dbraw/zinc/95/43/49/1028954349.db2.gz LZTZZWGWVWCSPM-UHFFFAOYSA-N 2 0 319.493 3.886 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000373162731 1028964626 /nfs/dbraw/zinc/96/46/26/1028964626.db2.gz DKIZDIBZKWAGPT-IEBWSBKVSA-N 2 0 316.489 3.617 20 0 DHADRP c1sc2ccccc2c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567870865 1028965868 /nfs/dbraw/zinc/96/58/68/1028965868.db2.gz SIYYWHWCDALWKS-OAHLLOKOSA-N 2 0 300.471 3.723 20 0 DHADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449760905 1028967923 /nfs/dbraw/zinc/96/79/23/1028967923.db2.gz SIVRWAMQEHOXCD-IJXRJRJASA-N 2 0 322.537 3.967 20 0 DHADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449751738 1028973695 /nfs/dbraw/zinc/97/36/95/1028973695.db2.gz AKMIITPDBYKNEL-NXWXRZEISA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568131965 1029010753 /nfs/dbraw/zinc/01/07/53/1029010753.db2.gz ZWMJBWZANFPISJ-ZULIPRJHSA-N 2 0 300.490 3.889 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000568249494 1029032253 /nfs/dbraw/zinc/03/22/53/1029032253.db2.gz RYORBBJOLUVMPS-CVEARBPZSA-N 2 0 304.503 3.951 20 0 DHADRP CC(C)(C)OC1CC([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000568319312 1029046576 /nfs/dbraw/zinc/04/65/76/1029046576.db2.gz YMQSSLCHZRSFFC-UHFFFAOYSA-N 2 0 322.537 3.921 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCC(C)(C)c2ccccc21 ZINC000568543706 1029088530 /nfs/dbraw/zinc/08/85/30/1029088530.db2.gz QBJRTAUTULVXTF-GPMSIDNRSA-N 2 0 300.490 3.771 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000373645971 1029105787 /nfs/dbraw/zinc/10/57/87/1029105787.db2.gz UYFPQWHNWXUPAI-CLLBMXBRSA-N 2 0 304.453 3.780 20 0 DHADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000373696690 1029116541 /nfs/dbraw/zinc/11/65/41/1029116541.db2.gz MYNBKHVPFWPHSN-SLFFLAALSA-N 2 0 322.537 3.683 20 0 DHADRP CC(C)(C)OC1CC([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000568909581 1029144458 /nfs/dbraw/zinc/14/44/58/1029144458.db2.gz ISLWQDZDSYFOBK-LMDPOFIKSA-N 2 0 322.537 3.921 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000568973630 1029154274 /nfs/dbraw/zinc/15/42/74/1029154274.db2.gz DBZXBZQPJDSSPG-RBUKOAKNSA-N 2 0 304.478 3.699 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000569124189 1029180422 /nfs/dbraw/zinc/18/04/22/1029180422.db2.gz FILBHBBIRABTPA-VDGAXYAQSA-N 2 0 300.490 3.889 20 0 DHADRP COCC(C)(C)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411759170 1029202392 /nfs/dbraw/zinc/20/23/92/1029202392.db2.gz PCWCOQBUGKZZRQ-UHFFFAOYSA-N 2 0 304.478 3.529 20 0 DHADRP COC[C@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411774609 1029206701 /nfs/dbraw/zinc/20/67/01/1029206701.db2.gz PKFYKXTZWJWMCZ-HXUWFJFHSA-N 2 0 316.489 3.531 20 0 DHADRP COC1([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000817579105 1029207922 /nfs/dbraw/zinc/20/79/22/1029207922.db2.gz UKKOUKYZNUFETO-WWDZGPRUSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000569677781 1029246516 /nfs/dbraw/zinc/24/65/16/1029246516.db2.gz GCBUTQGYSARACK-CPUCHLNUSA-N 2 0 302.487 3.762 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900116 1029272825 /nfs/dbraw/zinc/27/28/25/1029272825.db2.gz LPYLKIDLXDFSMU-ADEKHHIBSA-N 3 0 321.553 3.684 20 0 DHADRP C(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC[NH+]1CCCC1 ZINC000817913536 1029274535 /nfs/dbraw/zinc/27/45/35/1029274535.db2.gz IKTORMUQJOETIY-AQNXPRMDSA-N 3 0 321.553 3.543 20 0 DHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000817936890 1029278246 /nfs/dbraw/zinc/27/82/46/1029278246.db2.gz ODBJLOGJKFLNLW-QEJZJMRPSA-N 2 0 315.288 3.509 20 0 DHADRP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000817934982 1029279448 /nfs/dbraw/zinc/27/94/48/1029279448.db2.gz DJOKSGKESBQQSB-OAHLLOKOSA-N 2 0 312.429 3.720 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(C)ccc1OC ZINC000817947653 1029286658 /nfs/dbraw/zinc/28/66/58/1029286658.db2.gz DWKQBOTXUAQEGD-LJQANCHMSA-N 2 0 312.457 3.746 20 0 DHADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2sccc21 ZINC000817949710 1029290497 /nfs/dbraw/zinc/29/04/97/1029290497.db2.gz SRFRNWNPBXLRAB-CXAGYDPISA-N 2 0 300.471 3.978 20 0 DHADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)c1 ZINC000569957101 1029291873 /nfs/dbraw/zinc/29/18/73/1029291873.db2.gz GZJCDADSWSECMC-SJLPKXTDSA-N 2 0 306.881 3.955 20 0 DHADRP COC1([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC000412018394 1029293958 /nfs/dbraw/zinc/29/39/58/1029293958.db2.gz BJKDGLRVWNQNLC-KRWDZBQOSA-N 2 0 316.489 3.720 20 0 DHADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817961792 1029300685 /nfs/dbraw/zinc/30/06/85/1029300685.db2.gz CLFDFAKEYJBGEG-IINYFYTJSA-N 2 0 300.418 3.563 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)cc1 ZINC000817962311 1029302476 /nfs/dbraw/zinc/30/24/76/1029302476.db2.gz HNHSSTZZBHHLRY-HZPDHXFCSA-N 2 0 320.440 3.743 20 0 DHADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(SC(F)F)cc1 ZINC000817975772 1029314667 /nfs/dbraw/zinc/31/46/67/1029314667.db2.gz BIZJBRMUSZYCDN-RISCZKNCSA-N 2 0 312.429 3.794 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1SC(F)F ZINC000817977202 1029316127 /nfs/dbraw/zinc/31/61/27/1029316127.db2.gz DMWJFBBQOCECGR-WDEREUQCSA-N 2 0 318.433 3.788 20 0 DHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccnc1Cl ZINC000817981894 1029318298 /nfs/dbraw/zinc/31/82/98/1029318298.db2.gz OHTVCIYAYWCRQU-CJNGLKHVSA-N 2 0 303.837 3.866 20 0 DHADRP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC000817986893 1029322049 /nfs/dbraw/zinc/32/20/49/1029322049.db2.gz VMYWRMUKSYXJSL-CVEARBPZSA-N 2 0 302.462 3.637 20 0 DHADRP CCC[N@H+](Cc1ccc(C(C)C)nc1CC)C1CC[NH2+]CC1 ZINC000629517348 1029354616 /nfs/dbraw/zinc/35/46/16/1029354616.db2.gz MLVFLFXTPSYNBF-UHFFFAOYSA-N 2 0 303.494 3.731 20 0 DHADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(-c2ccccc2)s1 ZINC000629523796 1029358052 /nfs/dbraw/zinc/35/80/52/1029358052.db2.gz JCYIIUSFWKNESY-CQSZACIVSA-N 2 0 316.470 3.574 20 0 DHADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629532041 1029361671 /nfs/dbraw/zinc/36/16/71/1029361671.db2.gz JHKHZFJENCNYJL-MJGOQNOKSA-N 2 0 315.505 3.725 20 0 DHADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533252 1029362252 /nfs/dbraw/zinc/36/22/52/1029362252.db2.gz PRVGVRPREPJVAL-DLBZAZTESA-N 2 0 315.505 3.589 20 0 DHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@H]1C(F)(F)F ZINC000629560032 1029366512 /nfs/dbraw/zinc/36/65/12/1029366512.db2.gz CIQJNMCNSMXEHK-GOEBONIOSA-N 2 0 312.379 3.523 20 0 DHADRP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559976 1029369328 /nfs/dbraw/zinc/36/93/28/1029369328.db2.gz CRNCNTHJQDEZKC-RRFJBIMHSA-N 2 0 300.368 3.597 20 0 DHADRP CC[C@H]1CCC[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1 ZINC000570536720 1029381301 /nfs/dbraw/zinc/38/13/01/1029381301.db2.gz ULNRLDKRWPSNPC-BKNJSMIZSA-N 2 0 322.537 3.776 20 0 DHADRP Cc1nccn1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374569858 1029389653 /nfs/dbraw/zinc/38/96/53/1029389653.db2.gz KHVIUIGORSFHPO-CQSZACIVSA-N 2 0 315.383 3.636 20 0 DHADRP [NH3+]CCC1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170908585 1029406668 /nfs/dbraw/zinc/40/66/68/1029406668.db2.gz OZZUFODWAKKVND-BCLQGDPASA-N 2 0 306.881 3.695 20 0 DHADRP c1cc(N2CCC([NH2+]CC(C3CCC3)C3CCC3)CC2)cc[nH+]1 ZINC000529636836 1029471517 /nfs/dbraw/zinc/47/15/17/1029471517.db2.gz IUSMBBHVTLKTOB-UHFFFAOYSA-N 2 0 313.489 3.856 20 0 DHADRP C[N@@H+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000450452770 1029485749 /nfs/dbraw/zinc/48/57/49/1029485749.db2.gz IDGGOIXOSIRRRE-MSOLQXFVSA-N 2 0 322.443 3.876 20 0 DHADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000389962307 1029502396 /nfs/dbraw/zinc/50/23/96/1029502396.db2.gz JISHQIGZENBAQD-XPGWFJOJSA-N 2 0 310.441 3.716 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2cscn2)CC1 ZINC000450494349 1029516335 /nfs/dbraw/zinc/51/63/35/1029516335.db2.gz LAXNLHPUUYXQGI-MRXNPFEDSA-N 2 0 321.534 3.662 20 0 DHADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC000820810587 1029768872 /nfs/dbraw/zinc/76/88/72/1029768872.db2.gz AABGMLVMSBLFIH-AYOQOUSVSA-N 2 0 316.489 3.747 20 0 DHADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000530219313 1029781595 /nfs/dbraw/zinc/78/15/95/1029781595.db2.gz PECUWBJZKLJKNR-RBSFLKMASA-N 2 0 302.453 3.958 20 0 DHADRP CC(C)([NH2+]CC[C@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000530221454 1029782104 /nfs/dbraw/zinc/78/21/04/1029782104.db2.gz CZCJDXMWJVXXAY-CYBMUJFWSA-N 2 0 303.475 3.511 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211983 1029784360 /nfs/dbraw/zinc/78/43/60/1029784360.db2.gz PPKHLFLAFIWARE-PBHICJAKSA-N 2 0 300.471 3.893 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170956853 1029794868 /nfs/dbraw/zinc/79/48/68/1029794868.db2.gz IICJSXHNNNBRII-RDJZCZTQSA-N 2 0 306.469 3.783 20 0 DHADRP CCc1cccc2c1OCC[C@H]2N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404553 1029796926 /nfs/dbraw/zinc/79/69/26/1029796926.db2.gz ABVSMDFVPQJZHG-DOTOQJQBSA-N 2 0 302.462 3.535 20 0 DHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925233421 1029822467 /nfs/dbraw/zinc/82/24/67/1029822467.db2.gz VPLQFBPRGZAEIW-UXHICEINSA-N 2 0 322.537 3.539 20 0 DHADRP Cn1ccnc1CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000121805095 1029857842 /nfs/dbraw/zinc/85/78/42/1029857842.db2.gz KACOBSBPIYTHDD-UHFFFAOYSA-N 2 0 321.827 3.667 20 0 DHADRP CC(C)OCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000121810279 1029859938 /nfs/dbraw/zinc/85/99/38/1029859938.db2.gz RPNVDVYRDFKYDT-UYAOXDASSA-N 2 0 318.505 3.786 20 0 DHADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170977621 1029939305 /nfs/dbraw/zinc/93/93/05/1029939305.db2.gz YGFLEZCXENGIBQ-GOSISDBHSA-N 2 0 318.480 3.785 20 0 DHADRP c1csc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000865718458 1029987389 /nfs/dbraw/zinc/98/73/89/1029987389.db2.gz ZRNMMSGZSQHDDG-UHFFFAOYSA-N 2 0 315.486 3.535 20 0 DHADRP Cc1[nH+]ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c1Cl ZINC000357323603 1029994613 /nfs/dbraw/zinc/99/46/13/1029994613.db2.gz LZIOVADNCBCYPR-UHFFFAOYSA-N 2 0 315.848 3.756 20 0 DHADRP C[NH+](C)C1(C)CCC([NH2+]Cc2csc(C(C)(C)C)n2)CC1 ZINC000865765848 1030013872 /nfs/dbraw/zinc/01/38/72/1030013872.db2.gz OUKURQOTHBRXLC-UHFFFAOYSA-N 2 0 309.523 3.793 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000530901745 1030061327 /nfs/dbraw/zinc/06/13/27/1030061327.db2.gz UTVHDQPQRUWXCE-HOCLYGCPSA-N 2 0 310.869 3.523 20 0 DHADRP c1cn(-c2csc(C[NH2+]C3([C@@H]4CCCCO4)CCC3)c2)cn1 ZINC000865857714 1030064694 /nfs/dbraw/zinc/06/46/94/1030064694.db2.gz WUMKGCFGSIBQEP-INIZCTEOSA-N 2 0 317.458 3.515 20 0 DHADRP CC(C)(C)[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000557254359 1030076096 /nfs/dbraw/zinc/07/60/96/1030076096.db2.gz HMVHVBBMZCJPHH-UHFFFAOYSA-N 2 0 321.553 3.636 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)[C@@H](C)C1 ZINC000557274418 1030077451 /nfs/dbraw/zinc/07/74/51/1030077451.db2.gz VFFMOSAUQLIAHR-ROUUACIJSA-N 2 0 310.526 3.683 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000530953219 1030098698 /nfs/dbraw/zinc/09/86/98/1030098698.db2.gz VHJDNPSVWYOOSY-ROUUACIJSA-N 2 0 314.477 3.553 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1nccc2ccccc21 ZINC000290610370 1030126453 /nfs/dbraw/zinc/12/64/53/1030126453.db2.gz HWYUWLKDLVNNPT-HNNXBMFYSA-N 2 0 309.457 3.760 20 0 DHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2c(C)noc2C)cc1 ZINC000924586084 1030132056 /nfs/dbraw/zinc/13/20/56/1030132056.db2.gz SAOHROATPSFYHD-CQSZACIVSA-N 2 0 315.461 3.984 20 0 DHADRP COc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1F ZINC000924605875 1030137181 /nfs/dbraw/zinc/13/71/81/1030137181.db2.gz IQSTUDOJKOGPCZ-CQSZACIVSA-N 2 0 316.420 3.747 20 0 DHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000924651722 1030151318 /nfs/dbraw/zinc/15/13/18/1030151318.db2.gz ZZSRFUAESBUXEX-HOTGVXAUSA-N 2 0 324.468 3.983 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccnnc1 ZINC000924667626 1030155626 /nfs/dbraw/zinc/15/56/26/1030155626.db2.gz LSVDAJDOHDFXLZ-DLBZAZTESA-N 2 0 324.472 3.559 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924682653 1030158431 /nfs/dbraw/zinc/15/84/31/1030158431.db2.gz COOVYGFAOWFMJP-KVPLUYHFSA-N 2 0 322.537 3.539 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000924688600 1030160414 /nfs/dbraw/zinc/16/04/14/1030160414.db2.gz UBTFOYOGEJMEOJ-CEXWTWQISA-N 2 0 310.526 3.562 20 0 DHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C2CCC2)c1 ZINC000924687063 1030160615 /nfs/dbraw/zinc/16/06/15/1030160615.db2.gz NQBFPVNPHCOZKA-IRXDYDNUSA-N 2 0 318.509 3.913 20 0 DHADRP CCOc1cccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924690155 1030161075 /nfs/dbraw/zinc/16/10/75/1030161075.db2.gz OOPLUBNESXQVFW-INIZCTEOSA-N 2 0 312.457 3.998 20 0 DHADRP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000866231961 1030168065 /nfs/dbraw/zinc/16/80/65/1030168065.db2.gz AYLGUIILTJYZLI-CZAAIQMYSA-N 2 0 323.484 3.772 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccns2)c1 ZINC000924709276 1030169188 /nfs/dbraw/zinc/16/91/88/1030169188.db2.gz VQDCLYCOQAEKJS-CQSZACIVSA-N 2 0 303.475 3.836 20 0 DHADRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccn1 ZINC000866234467 1030171705 /nfs/dbraw/zinc/17/17/05/1030171705.db2.gz SXFVCAROUCJIGL-HKUYNNGSSA-N 2 0 303.494 3.880 20 0 DHADRP CO[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000924740658 1030176745 /nfs/dbraw/zinc/17/67/45/1030176745.db2.gz TVLMTQGXVGWYIJ-OXJNMPFZSA-N 2 0 312.457 3.787 20 0 DHADRP C[C@H](CCc1cccnc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000866283468 1030203873 /nfs/dbraw/zinc/20/38/73/1030203873.db2.gz YMKNLMKIUDACCK-QHGAOEGBSA-N 2 0 315.505 3.789 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924954294 1030233173 /nfs/dbraw/zinc/23/31/73/1030233173.db2.gz GPCSZKOHOWAEGP-KRWDZBQOSA-N 3 0 317.521 3.521 20 0 DHADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171013898 1030259610 /nfs/dbraw/zinc/25/96/10/1030259610.db2.gz RSIUPNYCBHYAFP-QGZVFWFLSA-N 2 0 320.908 3.909 20 0 DHADRP CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925192392 1030297720 /nfs/dbraw/zinc/29/77/20/1030297720.db2.gz QLRAOUJOYPGZPR-MRXNPFEDSA-N 2 0 306.494 3.588 20 0 DHADRP COCCC[C@H](C)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866470469 1030311035 /nfs/dbraw/zinc/31/10/35/1030311035.db2.gz UOIKUZRYSNUNAQ-SFHVURJKSA-N 2 0 318.505 3.693 20 0 DHADRP Cc1c([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cnn1C(C)(C)C ZINC000866516524 1030341438 /nfs/dbraw/zinc/34/14/38/1030341438.db2.gz BFUDVERPGHIDCF-ASFAAARLSA-N 2 0 320.525 3.860 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171022188 1030341795 /nfs/dbraw/zinc/34/17/95/1030341795.db2.gz JMSTZXLMJMXPGU-QGZVFWFLSA-N 2 0 320.908 3.907 20 0 DHADRP CC(C)[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000866516369 1030342004 /nfs/dbraw/zinc/34/20/04/1030342004.db2.gz QCDKUSZOZGDFSU-IIIMJFFVSA-N 2 0 307.457 3.770 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c(C)c1 ZINC000866517299 1030342018 /nfs/dbraw/zinc/34/20/18/1030342018.db2.gz GFMVXLSHJLSOCG-LYGPFTKASA-N 2 0 304.478 3.917 20 0 DHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517332 1030342189 /nfs/dbraw/zinc/34/21/89/1030342189.db2.gz GXLKSCBKLIZTRT-WEOZKBJRSA-N 2 0 304.478 3.615 20 0 DHADRP Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000358146447 1030343882 /nfs/dbraw/zinc/34/38/82/1030343882.db2.gz HOONZAJFEBWAGA-QGZVFWFLSA-N 2 0 309.457 3.798 20 0 DHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171022583 1030346276 /nfs/dbraw/zinc/34/62/76/1030346276.db2.gz NSKPJDRIRDPZER-HRCADAONSA-N 2 0 306.881 3.660 20 0 DHADRP OCCCCCCCCCCCC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246272740 1030381244 /nfs/dbraw/zinc/38/12/44/1030381244.db2.gz NNLBYSQTEWFZIC-GOSISDBHSA-N 2 0 310.526 3.611 20 0 DHADRP Clc1cccc2c1CC[C@H]([NH2+]CCC[NH+]1CCCCC1)C2 ZINC001171029145 1030387063 /nfs/dbraw/zinc/38/70/63/1030387063.db2.gz ZCBSBUFUOMHFJB-INIZCTEOSA-N 2 0 306.881 3.663 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(-c2cccnc2)cc1 ZINC000925529376 1030388647 /nfs/dbraw/zinc/38/86/47/1030388647.db2.gz IZUNJWKLZJVYSC-KYNGSXCRSA-N 2 0 307.441 3.669 20 0 DHADRP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925532003 1030389672 /nfs/dbraw/zinc/38/96/72/1030389672.db2.gz UIBRDVQONIJBDP-PMACEKPBSA-N 2 0 323.484 3.535 20 0 DHADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)CO2 ZINC000925535047 1030390975 /nfs/dbraw/zinc/39/09/75/1030390975.db2.gz SRXWRDHVDHXNMQ-BEFAXECRSA-N 2 0 310.441 3.841 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000925539162 1030392563 /nfs/dbraw/zinc/39/25/63/1030392563.db2.gz ZKGGQWPMDYLMDF-RXVVDRJESA-N 2 0 323.484 3.583 20 0 DHADRP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3c[nH+]cn3C)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001171032777 1030397447 /nfs/dbraw/zinc/39/74/47/1030397447.db2.gz WSEQPDICQDXKCW-HVKXIDHRSA-N 2 0 318.509 3.790 20 0 DHADRP Cc1csc(CCCC[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925566393 1030407143 /nfs/dbraw/zinc/40/71/43/1030407143.db2.gz HTYOQLDTHPCOQR-QGZVFWFLSA-N 2 0 317.502 3.844 20 0 DHADRP COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925603733 1030416881 /nfs/dbraw/zinc/41/68/81/1030416881.db2.gz RDENHPYACWXNTM-MRXNPFEDSA-N 2 0 312.457 3.916 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)CC1 ZINC000925607416 1030419458 /nfs/dbraw/zinc/41/94/58/1030419458.db2.gz PJWYPCYSLCXSEH-RRENTHDGSA-N 3 0 321.553 3.525 20 0 DHADRP C[C@@H](Cc1ccccn1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925615898 1030422883 /nfs/dbraw/zinc/42/28/83/1030422883.db2.gz JHRJENPQHKLUGU-ZJRDLVKKSA-N 2 0 315.505 3.645 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccccc1 ZINC000925619527 1030425038 /nfs/dbraw/zinc/42/50/38/1030425038.db2.gz OMPFLDVHZRKESM-WOZUAGRISA-N 2 0 306.453 3.642 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925626080 1030425128 /nfs/dbraw/zinc/42/51/28/1030425128.db2.gz NPJOENGPJPHANW-WZGPROSRSA-N 2 0 316.489 3.650 20 0 DHADRP COc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)ccc1SC ZINC000866705842 1030427887 /nfs/dbraw/zinc/42/78/87/1030427887.db2.gz ILSSBTMBVONSNT-SFHVURJKSA-N 2 0 322.518 3.614 20 0 DHADRP COc1ccccc1[C@H]1CCC[N@H+](CCCCCC[NH3+])CC1 ZINC000866717348 1030430299 /nfs/dbraw/zinc/43/02/99/1030430299.db2.gz CGNOQNFMGMMBRK-KRWDZBQOSA-N 2 0 304.478 3.784 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000866717535 1030431092 /nfs/dbraw/zinc/43/10/92/1030431092.db2.gz HPKBZTITVJPWMR-GOSISDBHSA-N 2 0 316.489 3.654 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc2ncsc2c1 ZINC000925641959 1030431776 /nfs/dbraw/zinc/43/17/76/1030431776.db2.gz DNFAYHWNXNFMIN-FPMFFAJLSA-N 2 0 303.475 3.853 20 0 DHADRP C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925646987 1030432984 /nfs/dbraw/zinc/43/29/84/1030432984.db2.gz XJIPLCMZNUSMOU-YWZLYKJASA-N 2 0 309.457 3.945 20 0 DHADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[C@@H]([NH3+])C1 ZINC000925648133 1030434122 /nfs/dbraw/zinc/43/41/22/1030434122.db2.gz PBDVCCAEVRGNJG-ZJPYXAASSA-N 2 0 320.452 3.541 20 0 DHADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925656820 1030442736 /nfs/dbraw/zinc/44/27/36/1030442736.db2.gz PNPJUAFSDHADBF-TUUVXOQKSA-N 2 0 324.390 3.811 20 0 DHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000925664367 1030445525 /nfs/dbraw/zinc/44/55/25/1030445525.db2.gz YEOCWKIHPAHSJL-YWGWFGEJSA-N 2 0 302.437 3.567 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccccc1 ZINC000925661471 1030445604 /nfs/dbraw/zinc/44/56/04/1030445604.db2.gz UYVNLMLZRQLVTF-LJQANCHMSA-N 2 0 307.441 3.780 20 0 DHADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@@H](c3ccc(F)cc3)C1)[NH2+]2 ZINC000925663391 1030446196 /nfs/dbraw/zinc/44/61/96/1030446196.db2.gz RPLRVGDUQXNIMX-TVVAWBNUSA-N 2 0 302.437 3.580 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccccc1 ZINC000925679267 1030451479 /nfs/dbraw/zinc/45/14/79/1030451479.db2.gz IUTHZYQJRJIKLV-SJLPKXTDSA-N 2 0 312.482 3.946 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925681621 1030451522 /nfs/dbraw/zinc/45/15/22/1030451522.db2.gz WGZXUBYSSIGEMX-OWCLPIDISA-N 2 0 300.437 3.570 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccccc1 ZINC000925726353 1030465496 /nfs/dbraw/zinc/46/54/96/1030465496.db2.gz RPOGEYWMZOBBLU-IEBWSBKVSA-N 2 0 309.457 3.656 20 0 DHADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](Cc2cccnc2)C2CCCC2)C1 ZINC000925727556 1030466815 /nfs/dbraw/zinc/46/68/15/1030466815.db2.gz HRGHDJNJXDJWSN-QRVBRYPASA-N 2 0 315.505 3.679 20 0 DHADRP CC(C)([NH3+])CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000925737107 1030471314 /nfs/dbraw/zinc/47/13/14/1030471314.db2.gz FEOWPUFKENIBGZ-LBPRGKRZSA-N 2 0 317.296 3.679 20 0 DHADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000558221195 1030474941 /nfs/dbraw/zinc/47/49/41/1030474941.db2.gz FCRPGUPWRMUBDH-GJJHYRHESA-N 2 0 316.489 3.574 20 0 DHADRP Cc1cccc2c1[C@@H](C)C[C@H]2N1CCc2sc(C[NH3+])nc2C1 ZINC000925749192 1030477680 /nfs/dbraw/zinc/47/76/80/1030477680.db2.gz VEUCBXOAGXOICJ-SWLSCSKDSA-N 2 0 313.470 3.517 20 0 DHADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246307234 1030485865 /nfs/dbraw/zinc/48/58/65/1030485865.db2.gz DLXMFDUPZCJLHV-JSGCOSHPSA-N 2 0 300.899 3.784 20 0 DHADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2sccc21 ZINC000925777481 1030491481 /nfs/dbraw/zinc/49/14/81/1030491481.db2.gz PEKXBLGYNIRHGW-MDZLAQPJSA-N 2 0 300.418 3.521 20 0 DHADRP CSC1CCC(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925803413 1030502402 /nfs/dbraw/zinc/50/24/02/1030502402.db2.gz ZIAFIUOCGOKATM-SYNTWQANSA-N 2 0 310.551 3.666 20 0 DHADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000925802885 1030502989 /nfs/dbraw/zinc/50/29/89/1030502989.db2.gz SMCQFSMLXAHUHA-PXDPFURRSA-N 2 0 308.535 3.561 20 0 DHADRP C(CC[NH2+]C1CCC2(CCOCC2)CC1)CCC1CC[NH2+]CC1 ZINC000925808388 1030506100 /nfs/dbraw/zinc/50/61/00/1030506100.db2.gz NJAQLYMIEDTMFO-UHFFFAOYSA-N 2 0 322.537 3.875 20 0 DHADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000925807871 1030506156 /nfs/dbraw/zinc/50/61/56/1030506156.db2.gz KYXNLBBWTYVCMN-AWEZNQCLSA-N 2 0 309.885 3.946 20 0 DHADRP c1cnc2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000925815710 1030508490 /nfs/dbraw/zinc/50/84/90/1030508490.db2.gz YSVPZMVPKFIIKW-HLAWJBBLSA-N 2 0 323.484 3.678 20 0 DHADRP c1cnc2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000925815709 1030508694 /nfs/dbraw/zinc/50/86/94/1030508694.db2.gz YSVPZMVPKFIIKW-CEWLAPEOSA-N 2 0 323.484 3.678 20 0 DHADRP c1cnc2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000925815711 1030509611 /nfs/dbraw/zinc/50/96/11/1030509611.db2.gz YSVPZMVPKFIIKW-HMXCVIKNSA-N 2 0 323.484 3.678 20 0 DHADRP [NH3+]CCC[C@@H]([NH2+]CCc1cnc2ccccc2c1)c1ccccc1 ZINC000925829369 1030512440 /nfs/dbraw/zinc/51/24/40/1030512440.db2.gz BVKGQTRJEFFCNT-HXUWFJFHSA-N 2 0 319.452 3.847 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1C ZINC000925827805 1030513181 /nfs/dbraw/zinc/51/31/81/1030513181.db2.gz BXRVZKDDBHUAFK-KBPBESRZSA-N 2 0 313.445 3.578 20 0 DHADRP c1ccc2ncc(CC[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)cc2c1 ZINC000925834162 1030514662 /nfs/dbraw/zinc/51/46/62/1030514662.db2.gz VSKLXADUGIAUMG-PZJWPPBQSA-N 2 0 323.484 3.535 20 0 DHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507403 1030517533 /nfs/dbraw/zinc/51/75/33/1030517533.db2.gz KGRKLSKAHOTJNK-CYBMUJFWSA-N 2 0 323.278 3.586 20 0 DHADRP Clc1ccc(SCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358515923 1030525004 /nfs/dbraw/zinc/52/50/04/1030525004.db2.gz NRUQRMPVQCHILF-UHFFFAOYSA-N 2 0 310.894 3.508 20 0 DHADRP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879517 1030531678 /nfs/dbraw/zinc/53/16/78/1030531678.db2.gz GOJGFOJSPRLZGV-XHSDSOJGSA-N 2 0 313.489 3.941 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000925886238 1030535248 /nfs/dbraw/zinc/53/52/48/1030535248.db2.gz DTKBUXONSJOSOM-OLMNPRSZSA-N 2 0 322.443 3.849 20 0 DHADRP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925889011 1030536215 /nfs/dbraw/zinc/53/62/15/1030536215.db2.gz YYEUVGPROUEFBV-DJPFJPOOSA-N 2 0 324.468 3.795 20 0 DHADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)cc1F ZINC000925889158 1030537376 /nfs/dbraw/zinc/53/73/76/1030537376.db2.gz ZKLOFDFNKPBXNM-NRXGSXMXSA-N 2 0 316.395 3.675 20 0 DHADRP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925889010 1030537395 /nfs/dbraw/zinc/53/73/95/1030537395.db2.gz YYEUVGPROUEFBV-BLIXFSHQSA-N 2 0 324.468 3.795 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)cc1F ZINC000925889156 1030537763 /nfs/dbraw/zinc/53/77/63/1030537763.db2.gz ZKLOFDFNKPBXNM-IYJAJMOOSA-N 2 0 316.395 3.675 20 0 DHADRP CC[C@H]1C[C@@H](C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000558416025 1030568823 /nfs/dbraw/zinc/56/88/23/1030568823.db2.gz IQUYAILTDVOXAC-PMACEKPBSA-N 2 0 318.505 3.775 20 0 DHADRP COCC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000926116970 1030623605 /nfs/dbraw/zinc/62/36/05/1030623605.db2.gz UAGRKEFLLCQWNA-MAUKXSAKSA-N 2 0 316.445 3.770 20 0 DHADRP C[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1(Cl)Cl ZINC000824773355 1030630872 /nfs/dbraw/zinc/63/08/72/1030630872.db2.gz KIZGXXHIYIXZME-OAHLLOKOSA-N 2 0 319.320 3.957 20 0 DHADRP COC1CCC(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926158925 1030635882 /nfs/dbraw/zinc/63/58/82/1030635882.db2.gz ZPYKIYULXDOASN-VXESANQCSA-N 2 0 318.505 3.994 20 0 DHADRP C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926199101 1030651951 /nfs/dbraw/zinc/65/19/51/1030651951.db2.gz XZYDXLSNQIXKGN-YSSFQJQWSA-N 2 0 316.489 3.604 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2nc3ccccc3s2)CC1 ZINC001136953557 1030654363 /nfs/dbraw/zinc/65/43/63/1030654363.db2.gz KTNPLKUBIKBEBF-UHFFFAOYSA-N 2 0 317.502 3.849 20 0 DHADRP CSc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246861743 1030657844 /nfs/dbraw/zinc/65/78/44/1030657844.db2.gz PQMAZRKPHLNBOG-QFBILLFUSA-N 2 0 316.514 3.857 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000246871185 1030659139 /nfs/dbraw/zinc/65/91/39/1030659139.db2.gz DKUPDOFBPFSNAW-AEFFLSMTSA-N 2 0 314.473 3.754 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171071469 1030660197 /nfs/dbraw/zinc/66/01/97/1030660197.db2.gz CPTBGBGQUFOQEL-MELADBBJSA-N 2 0 313.272 3.710 20 0 DHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000247175902 1030679404 /nfs/dbraw/zinc/67/94/04/1030679404.db2.gz YVTLTIOYPQUOKT-QKLQHJQFSA-N 2 0 316.489 3.543 20 0 DHADRP Cc1ccc2c(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)c[nH]c2c1 ZINC001136975753 1030684885 /nfs/dbraw/zinc/68/48/85/1030684885.db2.gz QGKSIGIPJLHIQQ-UHFFFAOYSA-N 2 0 311.473 3.784 20 0 DHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000359004111 1030724216 /nfs/dbraw/zinc/72/42/16/1030724216.db2.gz SSKBNFYBQDVGAM-GDBMZVCRSA-N 2 0 308.416 3.532 20 0 DHADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074148 1030729086 /nfs/dbraw/zinc/72/90/86/1030729086.db2.gz ZUNHIYXDWMTCGV-GFCCVEGCSA-N 2 0 315.288 3.956 20 0 DHADRP COc1cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc2ccccc21 ZINC000926450394 1030745957 /nfs/dbraw/zinc/74/59/57/1030745957.db2.gz MEZQQTRKOQTVAS-CJNGLKHVSA-N 2 0 321.424 3.780 20 0 DHADRP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000249152282 1030788896 /nfs/dbraw/zinc/78/88/96/1030788896.db2.gz VCXYKKGGVURINH-MBOZVWFJSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000249152276 1030789874 /nfs/dbraw/zinc/78/98/74/1030789874.db2.gz VCXYKKGGVURINH-FUHIMQAGSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(-c2ccccc2)no1 ZINC000926561408 1030798686 /nfs/dbraw/zinc/79/86/86/1030798686.db2.gz XZYJOUALZATWCI-OAHLLOKOSA-N 2 0 313.445 3.867 20 0 DHADRP Cc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000926574261 1030804293 /nfs/dbraw/zinc/80/42/93/1030804293.db2.gz VIGOMAYZZWMDNN-WIYYLYMNSA-N 2 0 323.484 3.801 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000122681962 1030823143 /nfs/dbraw/zinc/82/31/43/1030823143.db2.gz MYUNUEZSDNZQPX-KRWDZBQOSA-N 2 0 318.505 3.728 20 0 DHADRP CC(C)c1csc([C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359209444 1030844602 /nfs/dbraw/zinc/84/46/02/1030844602.db2.gz KMRLDVKJCJXCER-INIZCTEOSA-N 2 0 321.534 3.836 20 0 DHADRP Cc1cc(C)cc([C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2cccnc2)c1 ZINC000926665770 1030849534 /nfs/dbraw/zinc/84/95/34/1030849534.db2.gz LUPRNADWTALWLM-JRGCBEDISA-N 2 0 323.484 3.718 20 0 DHADRP C[C@H]1SCC[N@H+](CCC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000359222643 1030851668 /nfs/dbraw/zinc/85/16/68/1030851668.db2.gz PZQNBZKKOBWMQO-CRAIPNDOSA-N 2 0 304.503 3.555 20 0 DHADRP CC(C)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000359259050 1030869543 /nfs/dbraw/zinc/86/95/43/1030869543.db2.gz GCUFNSPFGXSRPG-QGZVFWFLSA-N 2 0 319.449 3.550 20 0 DHADRP C[C@@H]([NH2+]CCC1SCCS1)c1cccc(C[NH+](C)C)c1 ZINC000926723948 1030885257 /nfs/dbraw/zinc/88/52/57/1030885257.db2.gz GTRSEKCGJCZAQX-CYBMUJFWSA-N 2 0 310.532 3.595 20 0 DHADRP CC(C)[C@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1cccnc1 ZINC000359367535 1030930178 /nfs/dbraw/zinc/93/01/78/1030930178.db2.gz BLFITLRFZKCMJL-IBGZPJMESA-N 2 0 306.413 3.754 20 0 DHADRP CC(C)([NH3+])c1ccccc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171101119 1030949379 /nfs/dbraw/zinc/94/93/79/1030949379.db2.gz XBQNUAOOBXFVPK-AWEZNQCLSA-N 2 0 319.452 3.640 20 0 DHADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000359410584 1030952110 /nfs/dbraw/zinc/95/21/10/1030952110.db2.gz RFFFFXAXRPKTIC-CRAIPNDOSA-N 2 0 302.462 3.537 20 0 DHADRP Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925497675 1030956396 /nfs/dbraw/zinc/95/63/96/1030956396.db2.gz YCULDTGTQWLOOF-WMLDXEAASA-N 2 0 318.486 3.502 20 0 DHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC(F)(F)C1 ZINC000926889984 1030969539 /nfs/dbraw/zinc/96/95/39/1030969539.db2.gz SSZOVDJNBAYOGI-JEYLPNPQSA-N 2 0 300.437 3.807 20 0 DHADRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171109752 1030989091 /nfs/dbraw/zinc/98/90/91/1030989091.db2.gz MEYOWLDEZCRNPV-BZSNNMDCSA-N 2 0 306.881 3.660 20 0 DHADRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171112781 1031010438 /nfs/dbraw/zinc/01/04/38/1031010438.db2.gz MEYOWLDEZCRNPV-KURKYZTESA-N 2 0 306.881 3.660 20 0 DHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C(F)(F)F)CC2)C1 ZINC000926949198 1031014046 /nfs/dbraw/zinc/01/40/46/1031014046.db2.gz LJRBNCVIXQLKSV-OCVGTWLNSA-N 2 0 318.427 3.818 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(OC)n1 ZINC000927035960 1031044121 /nfs/dbraw/zinc/04/41/21/1031044121.db2.gz DJGWYJIDUPPBHA-KOHRHEQBSA-N 2 0 317.477 3.538 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000927038906 1031045371 /nfs/dbraw/zinc/04/53/71/1031045371.db2.gz RYPLNAQDOXEUHN-JLAWEPINSA-N 2 0 317.452 3.668 20 0 DHADRP Cc1nc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(C)s1 ZINC000927039524 1031048246 /nfs/dbraw/zinc/04/82/46/1031048246.db2.gz UYVPZRPLFOONGP-OLJMKKDRSA-N 2 0 307.507 3.818 20 0 DHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000321084773 1031058367 /nfs/dbraw/zinc/05/83/67/1031058367.db2.gz FGJQVOUHUZSWBX-CQSZACIVSA-N 2 0 316.445 3.824 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1(C)CC1 ZINC000359664145 1031085522 /nfs/dbraw/zinc/08/55/22/1031085522.db2.gz PGXMNRUOEZBTRZ-IXDOHACOSA-N 2 0 316.489 3.574 20 0 DHADRP Cc1nc2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2s1 ZINC000262007799 1031087620 /nfs/dbraw/zinc/08/76/20/1031087620.db2.gz UTMQQXZTRIKLIV-INIZCTEOSA-N 2 0 315.486 3.569 20 0 DHADRP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262101754 1031094660 /nfs/dbraw/zinc/09/46/60/1031094660.db2.gz VPSMVJQGXQUHCI-NRFANRHFSA-N 2 0 322.452 3.548 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286854741 1031106534 /nfs/dbraw/zinc/10/65/34/1031106534.db2.gz AQSMCEKNGWWTLC-QXAKKESOSA-N 2 0 318.530 3.630 20 0 DHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnccc2C)CC1 ZINC000359855192 1031167169 /nfs/dbraw/zinc/16/71/69/1031167169.db2.gz ZJQPINGSISYNKD-UHFFFAOYSA-N 2 0 303.494 3.724 20 0 DHADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c2ccccc12 ZINC000321471151 1031185876 /nfs/dbraw/zinc/18/58/76/1031185876.db2.gz FLCAVCVLTMCPCS-INIZCTEOSA-N 2 0 312.457 3.668 20 0 DHADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000359911568 1031191545 /nfs/dbraw/zinc/19/15/45/1031191545.db2.gz NXLONKABOUBSIF-YESZJQIVSA-N 2 0 304.478 3.574 20 0 DHADRP CC[C@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000359924755 1031197731 /nfs/dbraw/zinc/19/77/31/1031197731.db2.gz JCMOKSWFQBRYMA-VQIMIIECSA-N 2 0 304.478 3.576 20 0 DHADRP COC1(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCCC1 ZINC000359960477 1031218854 /nfs/dbraw/zinc/21/88/54/1031218854.db2.gz XVPFCSYOBBHLDC-UHFFFAOYSA-N 2 0 304.478 3.576 20 0 DHADRP C[C@H](Cc1ccc(Cl)cc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC001246540895 1031243840 /nfs/dbraw/zinc/24/38/40/1031243840.db2.gz XGTBRAJDQURZKQ-LLVKDONJSA-N 2 0 301.261 3.595 20 0 DHADRP Cc1c(O)cccc1C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001144107909 1031249321 /nfs/dbraw/zinc/24/93/21/1031249321.db2.gz PMNOCBNBCAGLGT-UHFFFAOYSA-N 2 0 324.468 3.797 20 0 DHADRP CC(C)O[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000293081357 1031317807 /nfs/dbraw/zinc/31/78/07/1031317807.db2.gz WGQLNFNAQVQYEB-UXHICEINSA-N 2 0 316.489 3.570 20 0 DHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000844904191 1031389900 /nfs/dbraw/zinc/38/99/00/1031389900.db2.gz CZCUTGCQEGWCGK-LSDHHAIUSA-N 2 0 300.368 3.617 20 0 DHADRP CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844924762 1031404523 /nfs/dbraw/zinc/40/45/23/1031404523.db2.gz QIDCGYJSQQMHRI-ZDUSSCGKSA-N 2 0 302.393 3.534 20 0 DHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872022784 1031405039 /nfs/dbraw/zinc/40/50/39/1031405039.db2.gz KYDAVUZAADMBDU-KURKYZTESA-N 2 0 310.526 3.682 20 0 DHADRP Fc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000666855487 1031410934 /nfs/dbraw/zinc/41/09/34/1031410934.db2.gz VJOZUKHLCBTFIT-CYBMUJFWSA-N 2 0 304.434 3.786 20 0 DHADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293304314 1031416764 /nfs/dbraw/zinc/41/67/64/1031416764.db2.gz HYJAXHGSGIPUAP-LPHOPBHVSA-N 2 0 322.468 3.613 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCc2ccsc2)CCN1Cc1ccccc1 ZINC000379629201 1031419999 /nfs/dbraw/zinc/41/99/99/1031419999.db2.gz OJVYNPUPEJONDX-VQIMIIECSA-N 2 0 314.498 3.933 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccsc2)CCN1Cc1ccccc1 ZINC000379629198 1031420469 /nfs/dbraw/zinc/42/04/69/1031420469.db2.gz OJVYNPUPEJONDX-APWZRJJASA-N 2 0 314.498 3.933 20 0 DHADRP CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000872037783 1031422201 /nfs/dbraw/zinc/42/22/01/1031422201.db2.gz IABXOIYAJCXHQK-OALUTQOASA-N 2 0 322.537 3.826 20 0 DHADRP C[C@H](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000379648856 1031426878 /nfs/dbraw/zinc/42/68/78/1031426878.db2.gz NGJJTZSVSZNYPS-HBGVWJBISA-N 2 0 323.484 3.631 20 0 DHADRP CC[C@H](CCC(F)(F)F)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000872044908 1031433702 /nfs/dbraw/zinc/43/37/02/1031433702.db2.gz HHIQWWFNGSHAAS-SOUVJXGZSA-N 2 0 324.431 3.587 20 0 DHADRP CC[C@H](CCC(F)(F)F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000872044906 1031434227 /nfs/dbraw/zinc/43/42/27/1031434227.db2.gz HHIQWWFNGSHAAS-QLFBSQMISA-N 2 0 324.431 3.587 20 0 DHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC(C)(C)Sc3ccccc32)C1 ZINC000872083127 1031478807 /nfs/dbraw/zinc/47/88/07/1031478807.db2.gz HMWATDSVMNGRKR-IJEWVQPXSA-N 2 0 304.503 3.932 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956981 1031480022 /nfs/dbraw/zinc/48/00/22/1031480022.db2.gz AHQMZFDQEJELMR-HNAYVOBHSA-N 2 0 304.453 3.907 20 0 DHADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666857720 1031480829 /nfs/dbraw/zinc/48/08/29/1031480829.db2.gz GSMISFJXGIAEKE-HOJAQTOUSA-N 2 0 316.489 3.842 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc3cccnc32)[C@H](C)C1 ZINC000081095885 1031489421 /nfs/dbraw/zinc/48/94/21/1031489421.db2.gz LKISQANEAJTNTN-RDTXWAMCSA-N 2 0 315.436 3.536 20 0 DHADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)cs1 ZINC000423348507 1031518452 /nfs/dbraw/zinc/51/84/52/1031518452.db2.gz UCGKLZDRYZZMOC-ZWNOBZJWSA-N 2 0 317.296 3.551 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000423436937 1031525097 /nfs/dbraw/zinc/52/50/97/1031525097.db2.gz QCSNYTHOUKJUFF-BBRMVZONSA-N 2 0 310.869 3.969 20 0 DHADRP COc1ccccc1[C@H]1CSCCC[N@@H+]1CCCCCC[NH3+] ZINC000872156776 1031535044 /nfs/dbraw/zinc/53/50/44/1031535044.db2.gz DEAOJHYZDKPTDY-QGZVFWFLSA-N 2 0 322.518 3.694 20 0 DHADRP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCCCCC[NH3+] ZINC000872155117 1031536630 /nfs/dbraw/zinc/53/66/30/1031536630.db2.gz DFBZLGYZEFOUTN-OAHLLOKOSA-N 2 0 301.434 3.854 20 0 DHADRP CCC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000537203209 1031537665 /nfs/dbraw/zinc/53/76/65/1031537665.db2.gz QXYHZVGJQHVYLH-HSALFYBXSA-N 2 0 300.490 3.986 20 0 DHADRP Cc1cncc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872158050 1031539297 /nfs/dbraw/zinc/53/92/97/1031539297.db2.gz SGPUYHCYBMTGJF-QFBILLFUSA-N 2 0 301.478 3.510 20 0 DHADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158693 1031539392 /nfs/dbraw/zinc/53/93/92/1031539392.db2.gz XAHJRCFZDGJVKX-GJYPPUQNSA-N 2 0 301.478 3.762 20 0 DHADRP Clc1ccc2c(c1)CC[C@H]2[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000777843496 1031637254 /nfs/dbraw/zinc/63/72/54/1031637254.db2.gz TZMJTMCWYPIZFT-XJKSGUPXSA-N 2 0 301.821 3.930 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000873024326 1031695884 /nfs/dbraw/zinc/69/58/84/1031695884.db2.gz OLFUDIODRKMJLY-UHFFFAOYSA-N 2 0 307.413 3.569 20 0 DHADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000361061653 1031702205 /nfs/dbraw/zinc/70/22/05/1031702205.db2.gz UJXRENRPKLOBDL-JXFKEZNVSA-N 2 0 316.489 3.783 20 0 DHADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000282074927 1031730735 /nfs/dbraw/zinc/73/07/35/1031730735.db2.gz HHZYXXNCYHLACG-FXAWDEMLSA-N 2 0 318.505 3.822 20 0 DHADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000282074935 1031731816 /nfs/dbraw/zinc/73/18/16/1031731816.db2.gz HHZYXXNCYHLACG-XLIONFOSSA-N 2 0 318.505 3.822 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000361154176 1031760588 /nfs/dbraw/zinc/76/05/88/1031760588.db2.gz LWZIIXMOYVOGKQ-IBGZPJMESA-N 2 0 316.489 3.920 20 0 DHADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873222742 1031763216 /nfs/dbraw/zinc/76/32/16/1031763216.db2.gz BUIVAYKJXVPSLH-QGZVFWFLSA-N 2 0 309.523 3.539 20 0 DHADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)C3CC[NH2+]CC3)s2)cc1 ZINC000873221654 1031765351 /nfs/dbraw/zinc/76/53/51/1031765351.db2.gz ZSVGWAXUOJXNNJ-CQSZACIVSA-N 2 0 315.486 3.596 20 0 DHADRP CC(C)n1cc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232259 1031766550 /nfs/dbraw/zinc/76/65/50/1031766550.db2.gz NVRJJIZYHOWWNE-LPHOPBHVSA-N 2 0 318.509 3.584 20 0 DHADRP COCc1ccc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000873231690 1031766938 /nfs/dbraw/zinc/76/69/38/1031766938.db2.gz AENDFPMEFJYNLL-BEFAXECRSA-N 2 0 320.477 3.546 20 0 DHADRP CC(C)(C)c1nc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873232321 1031768390 /nfs/dbraw/zinc/76/83/90/1031768390.db2.gz FCSKECZPNVRKIO-OAHLLOKOSA-N 2 0 321.534 3.843 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)CCCO2 ZINC000873240821 1031770368 /nfs/dbraw/zinc/77/03/68/1031770368.db2.gz SIPURKBTZJHZLB-WBAXXEDZSA-N 2 0 302.462 3.570 20 0 DHADRP COc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C2CC2)cc1 ZINC000873244537 1031773091 /nfs/dbraw/zinc/77/30/91/1031773091.db2.gz MQTDPXJAJBMWNW-AEFFLSMTSA-N 2 0 302.462 3.514 20 0 DHADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000873250069 1031773174 /nfs/dbraw/zinc/77/31/74/1031773174.db2.gz DDTRCEMIBLQBLD-GLQYFDAESA-N 2 0 300.368 3.729 20 0 DHADRP CC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873252364 1031774188 /nfs/dbraw/zinc/77/41/88/1031774188.db2.gz OGXBIHZOXXVORC-KSSFIOAISA-N 2 0 324.415 3.513 20 0 DHADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000873254576 1031774572 /nfs/dbraw/zinc/77/45/72/1031774572.db2.gz XEJUQNSCEONXCR-VHDGCEQUSA-N 2 0 313.470 3.514 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1OCCC ZINC000873257406 1031776570 /nfs/dbraw/zinc/77/65/70/1031776570.db2.gz USGRYRUXVWXBFP-YQQAZPJKSA-N 2 0 320.477 3.652 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1OCc1ccccc1 ZINC000873257472 1031777210 /nfs/dbraw/zinc/77/72/10/1031777210.db2.gz IAJCAQBKGSWEJC-KBAYOESNSA-N 2 0 310.441 3.654 20 0 DHADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000873256448 1031777478 /nfs/dbraw/zinc/77/74/78/1031777478.db2.gz MPYQUDKPDRSHCT-RAEVTNRLSA-N 2 0 312.379 3.668 20 0 DHADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2ccccc2c1OC(F)F ZINC000873257555 1031777766 /nfs/dbraw/zinc/77/77/66/1031777766.db2.gz VGKPVTDNGDPBJC-SGMGOOAPSA-N 2 0 320.383 3.829 20 0 DHADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000873269831 1031781624 /nfs/dbraw/zinc/78/16/24/1031781624.db2.gz LFXLXDRAZSRYNE-BLLLJJGKSA-N 2 0 312.404 3.717 20 0 DHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H](C)C3CC[NH2+]CC3)ccc2c1 ZINC000873268983 1031782006 /nfs/dbraw/zinc/78/20/06/1031782006.db2.gz BNVWAIQJGADZKM-GJZGRUSLSA-N 2 0 312.457 3.887 20 0 DHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873271088 1031784878 /nfs/dbraw/zinc/78/48/78/1031784878.db2.gz DUMVPBJWQGUVES-UWVGGRQHSA-N 2 0 316.276 3.614 20 0 DHADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000873281498 1031786080 /nfs/dbraw/zinc/78/60/80/1031786080.db2.gz KALDCHVRSNGYRV-JHJVBQTASA-N 2 0 318.408 3.777 20 0 DHADRP C1=C[C@H](CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000873281218 1031787781 /nfs/dbraw/zinc/78/77/81/1031787781.db2.gz HCUDCCDMJJVMIC-QRFRQXIXSA-N 2 0 312.457 3.578 20 0 DHADRP C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296652 1031793074 /nfs/dbraw/zinc/79/30/74/1031793074.db2.gz KTSLWTRJEHUUEZ-COLVAYQJSA-N 2 0 321.346 3.896 20 0 DHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000294197299 1031865393 /nfs/dbraw/zinc/86/53/93/1031865393.db2.gz KRJJENWOHGQSLD-DLBZAZTESA-N 2 0 304.478 3.567 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000897881957 1031869164 /nfs/dbraw/zinc/86/91/64/1031869164.db2.gz HKSKTQLSPAXLSL-BWQRHGBYSA-N 2 0 308.416 3.531 20 0 DHADRP Cc1nocc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000294268334 1031909926 /nfs/dbraw/zinc/90/99/26/1031909926.db2.gz VJGYVWYSGVVIHQ-HNNXBMFYSA-N 2 0 313.445 3.647 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361425102 1031917426 /nfs/dbraw/zinc/91/74/26/1031917426.db2.gz DBTDQNOBBAANMY-HOCLYGCPSA-N 2 0 308.416 3.674 20 0 DHADRP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)O1 ZINC000898048069 1031917676 /nfs/dbraw/zinc/91/76/76/1031917676.db2.gz DXRHKIAGSHDGTD-GOSISDBHSA-N 2 0 308.510 3.721 20 0 DHADRP C[C@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361425101 1031918177 /nfs/dbraw/zinc/91/81/77/1031918177.db2.gz DBTDQNOBBAANMY-GOEBONIOSA-N 2 0 308.416 3.674 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000036907780 1031929053 /nfs/dbraw/zinc/92/90/53/1031929053.db2.gz MQVLRQWHJWHBNA-BFQNTYOBSA-N 2 0 315.288 3.854 20 0 DHADRP [NH3+]CCCCCC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000846217816 1031931173 /nfs/dbraw/zinc/93/11/73/1031931173.db2.gz CWZLTFLQNKMQRL-UHFFFAOYSA-N 2 0 322.880 3.754 20 0 DHADRP CCCC[N@H+](Cc1ccnc(N)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034831 1032014954 /nfs/dbraw/zinc/01/49/54/1032014954.db2.gz YVCCWKHXRTWOSV-UHFFFAOYSA-N 2 0 318.509 3.575 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000044516948 1032052161 /nfs/dbraw/zinc/05/21/61/1032052161.db2.gz VKTGXFGTDZAEFU-JTQLQIEISA-N 2 0 317.296 3.503 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535399 1032055650 /nfs/dbraw/zinc/05/56/50/1032055650.db2.gz SHKPJZTVMIERQH-STQMWFEESA-N 2 0 300.368 3.698 20 0 DHADRP C[NH+]1CCC(CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719092 1033323815 /nfs/dbraw/zinc/32/38/15/1033323815.db2.gz ZNCLCSNCPRLANI-SFHVURJKSA-N 2 0 306.881 3.519 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000643522064 1033337428 /nfs/dbraw/zinc/33/74/28/1033337428.db2.gz HFVYYLNRDVJERC-HIFRSBDPSA-N 2 0 316.367 3.768 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCS[C@H](C)C3)CC2)C1 ZINC000927028922 1033338700 /nfs/dbraw/zinc/33/87/00/1033338700.db2.gz BSPZCYGUADQKCB-LMSBXDPUSA-N 2 0 310.551 3.903 20 0 DHADRP C[C@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)CC(C)(C)CC[NH3+] ZINC001172715246 1033351031 /nfs/dbraw/zinc/35/10/31/1033351031.db2.gz GPVBSABULYXOSV-GUYCJALGSA-N 2 0 308.897 3.798 20 0 DHADRP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477943552 1033379226 /nfs/dbraw/zinc/37/92/26/1033379226.db2.gz VGLGPUCENHDMDR-QGZVFWFLSA-N 2 0 318.505 3.728 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOc2c(C)cccc2C)C1 ZINC000478009632 1033388171 /nfs/dbraw/zinc/38/81/71/1033388171.db2.gz KFUMMTOUIYZPPY-LJQANCHMSA-N 2 0 318.505 3.736 20 0 DHADRP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C)CC2 ZINC001172840026 1033409542 /nfs/dbraw/zinc/40/95/42/1033409542.db2.gz YVEGHLAOJZJAAL-AHRSYUTCSA-N 2 0 300.490 3.561 20 0 DHADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000927038129 1033414595 /nfs/dbraw/zinc/41/45/95/1033414595.db2.gz MXCLILZDZRWHFZ-CUYAVPTFSA-N 2 0 302.437 3.810 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172846874 1033417411 /nfs/dbraw/zinc/41/74/11/1033417411.db2.gz YZWQMQFPRXPFLV-ZDUSSCGKSA-N 2 0 312.860 3.874 20 0 DHADRP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172852938 1033420374 /nfs/dbraw/zinc/42/03/74/1033420374.db2.gz WHLMHCLKLGRYEX-MCIONIFRSA-N 2 0 312.860 3.873 20 0 DHADRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1CCC(CC[NH3+])CC1 ZINC001172852080 1033421092 /nfs/dbraw/zinc/42/10/92/1033421092.db2.gz NQPRZBBTOUCDBQ-HSBZDZAISA-N 2 0 312.860 3.907 20 0 DHADRP CC(C)C[N@@H+](Cc1cncc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000877767372 1033440377 /nfs/dbraw/zinc/44/03/77/1033440377.db2.gz GKPWWJAQHQRSNM-UHFFFAOYSA-N 2 0 309.885 3.535 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCC[NH+](C)C ZINC001172869613 1033440733 /nfs/dbraw/zinc/44/07/33/1033440733.db2.gz DCRIPLBTKRIKJY-ZDUSSCGKSA-N 2 0 300.899 3.752 20 0 DHADRP CC1([NH+]2CCCCC2)CC[NH+](CCCC2CCOCC2)CC1 ZINC000877794051 1033448115 /nfs/dbraw/zinc/44/81/15/1033448115.db2.gz DRVWVKJAKLOPOQ-UHFFFAOYSA-N 2 0 308.510 3.534 20 0 DHADRP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001172883874 1033460010 /nfs/dbraw/zinc/46/00/10/1033460010.db2.gz VHOXFHMZRRVVIE-AWEZNQCLSA-N 2 0 324.921 3.896 20 0 DHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534279 1033465593 /nfs/dbraw/zinc/46/55/93/1033465593.db2.gz PIUOSVLUFQPMBX-YPMHNXCESA-N 2 0 307.507 3.542 20 0 DHADRP CO[C@H]1CCC[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172927437 1033471287 /nfs/dbraw/zinc/47/12/87/1033471287.db2.gz FMBXQTDZRQNZMM-MKXGPGLRSA-N 2 0 308.510 3.706 20 0 DHADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643536694 1033474162 /nfs/dbraw/zinc/47/41/62/1033474162.db2.gz VTZGHNLGIZFHCF-DOTOQJQBSA-N 2 0 302.487 3.572 20 0 DHADRP Cc1ccc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536371 1033475067 /nfs/dbraw/zinc/47/50/67/1033475067.db2.gz TYQXZLPXLZSONT-WOJBJXKFSA-N 2 0 306.453 3.816 20 0 DHADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1csc(-c2ccccc2)n1 ZINC000643536593 1033475097 /nfs/dbraw/zinc/47/50/97/1033475097.db2.gz SGXXSVUPWKAUFT-XJKSGUPXSA-N 2 0 313.470 3.603 20 0 DHADRP Cc1csc2sc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c(C)c12 ZINC001206185008 1033484687 /nfs/dbraw/zinc/48/46/87/1033484687.db2.gz KKWCLVDCJAQGAE-RYUDHWBXSA-N 2 0 312.479 3.841 20 0 DHADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2csc(C(F)(F)F)c2)C1 ZINC000924707017 1033490840 /nfs/dbraw/zinc/49/08/40/1033490840.db2.gz SPMVJWLZXBAKNW-MNOVXSKESA-N 2 0 306.397 3.759 20 0 DHADRP C[N@H+](CCCOc1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000478547602 1033506263 /nfs/dbraw/zinc/50/62/63/1033506263.db2.gz HVLDOHKTTWEWGD-IBGZPJMESA-N 2 0 312.457 3.683 20 0 DHADRP C[N@H+](CCCOc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000478535329 1033509960 /nfs/dbraw/zinc/50/99/60/1033509960.db2.gz GTWOFUCLKDGHLX-SFHVURJKSA-N 2 0 312.457 3.683 20 0 DHADRP CCCOC1CCC([NH2+][C@H]2CC[C@@H]([NH+](CC)CC)CC2)CC1 ZINC001173095219 1033526064 /nfs/dbraw/zinc/52/60/64/1033526064.db2.gz ASKOZUQSPUGWGA-CRIGQSRLSA-N 2 0 310.526 3.967 20 0 DHADRP C([C@@H]1C[C@@H]2CCC[C@@H]2O1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877958688 1033530420 /nfs/dbraw/zinc/53/04/20/1033530420.db2.gz DFHUIZOPXKLTKF-UFYCRDLUSA-N 2 0 320.521 3.532 20 0 DHADRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2cc(F)cc(F)c2)CC1 ZINC001173102212 1033539281 /nfs/dbraw/zinc/53/92/81/1033539281.db2.gz USUUSBRIZIIFHW-UHFFFAOYSA-N 2 0 309.404 3.533 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000877975329 1033540623 /nfs/dbraw/zinc/54/06/23/1033540623.db2.gz GBWFTEBKRFZTJG-SFHVURJKSA-N 2 0 308.510 3.532 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC001173105175 1033543504 /nfs/dbraw/zinc/54/35/04/1033543504.db2.gz GOGPNZZEOOGPRR-UHFFFAOYSA-N 2 0 301.434 3.570 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCCN(C)c2ccccc2)CC1 ZINC001173105857 1033543543 /nfs/dbraw/zinc/54/35/43/1033543543.db2.gz XJYTXEQKERROMM-UHFFFAOYSA-N 2 0 317.521 3.756 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+][C@H](C)c2ccccc2OC)CC1 ZINC001173105898 1033543563 /nfs/dbraw/zinc/54/35/63/1033543563.db2.gz XWUNHHGOYZMNOX-KLAILNCOSA-N 2 0 304.478 3.999 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC001173105154 1033543623 /nfs/dbraw/zinc/54/36/23/1033543623.db2.gz BGCMLVZKGYBLSE-UHFFFAOYSA-N 2 0 310.432 3.750 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]CC(C)(C)Cc2ccncc2)CC1 ZINC001173106108 1033543692 /nfs/dbraw/zinc/54/36/92/1033543692.db2.gz IHUIHJYDSHJGEQ-UHFFFAOYSA-N 2 0 317.521 3.893 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]C2(C)Cc3ccccc3C2)CC1 ZINC001173107269 1033545190 /nfs/dbraw/zinc/54/51/90/1033545190.db2.gz MNORESCBHZDCPI-UHFFFAOYSA-N 2 0 300.490 3.787 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC001173107617 1033545713 /nfs/dbraw/zinc/54/57/13/1033545713.db2.gz ZJUQRMQYLQHELY-UHFFFAOYSA-N 2 0 301.887 3.539 20 0 DHADRP CC[NH+](CC)C1CCC([NH2+]Cc2cccc3cnccc32)CC1 ZINC001173107012 1033546022 /nfs/dbraw/zinc/54/60/22/1033546022.db2.gz UPKYNLGZIBBEDG-UHFFFAOYSA-N 2 0 311.473 3.977 20 0 DHADRP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]2Cc2ccccn2)CC1 ZINC001173115245 1033548310 /nfs/dbraw/zinc/54/83/10/1033548310.db2.gz ZZKZYYSYLBCDOU-MHJFOBGBSA-N 2 0 315.505 3.742 20 0 DHADRP CC[NH+](CC)C1CCC(n2cnc3c2[C@@H](C(C)C)[NH2+]CC3)CC1 ZINC001173113564 1033548445 /nfs/dbraw/zinc/54/84/45/1033548445.db2.gz UZCPLNNSEZUHGG-LEOMRAHMSA-N 2 0 318.509 3.551 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878108226 1033583317 /nfs/dbraw/zinc/58/33/17/1033583317.db2.gz SPDAQJPCGBFXLT-UEDWAMCQSA-N 2 0 320.521 3.530 20 0 DHADRP C[NH+]1CCC(CC[NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173195736 1033587074 /nfs/dbraw/zinc/58/70/74/1033587074.db2.gz VOLVZDDAHCSRDJ-UHFFFAOYSA-N 2 0 316.489 3.698 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878159432 1033599813 /nfs/dbraw/zinc/59/98/13/1033599813.db2.gz LRXQSUWBYDUNEW-SXLOBPIMSA-N 2 0 316.489 3.570 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@@H]1C ZINC000878164022 1033603869 /nfs/dbraw/zinc/60/38/69/1033603869.db2.gz ZCFBTKYFTKCCSH-LEAZDLGRSA-N 2 0 316.489 3.711 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC001173253405 1033625550 /nfs/dbraw/zinc/62/55/50/1033625550.db2.gz TUUAVDJXVOEKLG-DZIBYMRMSA-N 2 0 302.506 3.890 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000878258899 1033637879 /nfs/dbraw/zinc/63/78/79/1033637879.db2.gz WYBMLRBTBJIBIX-BTHPGYMESA-N 2 0 316.489 3.569 20 0 DHADRP CCc1ccc(C[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001173237553 1033645112 /nfs/dbraw/zinc/64/51/12/1033645112.db2.gz BNPMEPNITQWBMG-KRWDZBQOSA-N 2 0 323.484 3.834 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(CC)CC ZINC000479545026 1033802200 /nfs/dbraw/zinc/80/22/00/1033802200.db2.gz OHAPZFJEUWHHSH-HIEASXQVSA-N 2 0 308.510 3.577 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCCCC2 ZINC000479549235 1033804900 /nfs/dbraw/zinc/80/49/00/1033804900.db2.gz GCBUQSTZNYGXIO-CSODTCANSA-N 2 0 320.521 3.721 20 0 DHADRP Cc1c(F)nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000862294690 1033813855 /nfs/dbraw/zinc/81/38/55/1033813855.db2.gz NYQCAQNGNCBXFY-UHFFFAOYSA-N 2 0 315.436 3.659 20 0 DHADRP CCN1CCC([NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173686919 1033829767 /nfs/dbraw/zinc/82/97/67/1033829767.db2.gz GQCXAKNYRPEZJZ-UHFFFAOYSA-N 2 0 312.501 3.887 20 0 DHADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250232 1033964273 /nfs/dbraw/zinc/96/42/73/1033964273.db2.gz QBWWZGZOSPKTIF-HNNXBMFYSA-N 2 0 313.445 3.697 20 0 DHADRP COc1cc2c(N[C@H]3CCC[C@H]([NH+](C)C)C3)cc[nH+]c2cc1F ZINC000480063377 1034034262 /nfs/dbraw/zinc/03/42/62/1034034262.db2.gz SMFVWKJQRJWWCZ-STQMWFEESA-N 2 0 317.408 3.667 20 0 DHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc[nH]c2)C1 ZINC000175698539 1034038023 /nfs/dbraw/zinc/03/80/23/1034038023.db2.gz VZHUDHZJVIFTAV-IAGOWNOFSA-N 2 0 311.473 3.782 20 0 DHADRP COc1ccccc1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000879732341 1034101128 /nfs/dbraw/zinc/10/11/28/1034101128.db2.gz RIYSOEDJCYJLFF-QZTJIDSGSA-N 2 0 316.489 3.749 20 0 DHADRP c1ccc([C@@H]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)C[C@H]32)cc1 ZINC000863557391 1034126955 /nfs/dbraw/zinc/12/69/55/1034126955.db2.gz NJXZUIVAAQWDFU-FDFHNCONSA-N 2 0 318.464 3.568 20 0 DHADRP CC(C)(C)OCCCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951134 1034168794 /nfs/dbraw/zinc/16/87/94/1034168794.db2.gz HQMGYPIJMMNSJU-UHFFFAOYSA-N 2 0 310.526 3.922 20 0 DHADRP C[NH2+]C[C@@H](O)c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)c1 ZINC000863689451 1034176595 /nfs/dbraw/zinc/17/65/95/1034176595.db2.gz AINJXSZCXBZVRK-IIBYNOLFSA-N 2 0 324.468 3.591 20 0 DHADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccsc1 ZINC000178187522 1034217772 /nfs/dbraw/zinc/21/77/72/1034217772.db2.gz WMROKPHUTWLPQW-AWEZNQCLSA-N 2 0 304.459 3.539 20 0 DHADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667671830 1034239705 /nfs/dbraw/zinc/23/97/05/1034239705.db2.gz AUWCXZKWRLQEFT-UZLBHIALSA-N 2 0 318.424 3.645 20 0 DHADRP CCC1([NH+]2CCCCC2)CC[NH+](CCCCCCCO)CC1 ZINC000880256672 1034266657 /nfs/dbraw/zinc/26/66/57/1034266657.db2.gz LZZBUVZFBZQGKC-UHFFFAOYSA-N 2 0 310.526 3.660 20 0 DHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000480608821 1034339649 /nfs/dbraw/zinc/33/96/49/1034339649.db2.gz GKLDFTMZYJAGQM-YLJYHZDGSA-N 2 0 318.505 3.822 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000480692525 1034395577 /nfs/dbraw/zinc/39/55/77/1034395577.db2.gz AWHJVGXVKIDZMY-RDTXWAMCSA-N 2 0 310.432 3.607 20 0 DHADRP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000480786386 1034453720 /nfs/dbraw/zinc/45/37/20/1034453720.db2.gz MLQUJTPPBATBHD-ROUUACIJSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000184485795 1034477986 /nfs/dbraw/zinc/47/79/86/1034477986.db2.gz UVZNHFVFKGWLKJ-IXDOHACOSA-N 2 0 301.478 3.694 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C(C)(C)C ZINC000865416532 1034636789 /nfs/dbraw/zinc/63/67/89/1034636789.db2.gz BNWIKRHKYBDKHY-IAGOWNOFSA-N 2 0 316.489 3.709 20 0 DHADRP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629524841 1034645166 /nfs/dbraw/zinc/64/51/66/1034645166.db2.gz UXUGVRGKMHYFBO-RWMBFGLXSA-N 2 0 304.821 3.564 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865476671 1034663308 /nfs/dbraw/zinc/66/33/08/1034663308.db2.gz QGODQBLMDCZVQU-UHFFFAOYSA-N 2 0 315.436 3.586 20 0 DHADRP C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481249611 1034687991 /nfs/dbraw/zinc/68/79/91/1034687991.db2.gz IFEFQNNYRFHWIN-SJORKVTESA-N 2 0 302.462 3.634 20 0 DHADRP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[C@H]1c1cccs1 ZINC000667873272 1034793912 /nfs/dbraw/zinc/79/39/12/1034793912.db2.gz XEJMUMKIUOEQAK-QFXBJFAPSA-N 2 0 304.503 3.909 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000192634981 1034813530 /nfs/dbraw/zinc/81/35/30/1034813530.db2.gz FDOJIWQVCREJOB-FQEVSTJZSA-N 2 0 309.457 3.785 20 0 DHADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000192931936 1034823221 /nfs/dbraw/zinc/82/32/21/1034823221.db2.gz GGGNEVNUDJASSJ-HXUWFJFHSA-N 2 0 313.489 3.930 20 0 DHADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000192931947 1034824693 /nfs/dbraw/zinc/82/46/93/1034824693.db2.gz GGGNEVNUDJASSJ-FQEVSTJZSA-N 2 0 313.489 3.930 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193127751 1034831499 /nfs/dbraw/zinc/83/14/99/1034831499.db2.gz HXXRZZNIRWVLGS-UHFFFAOYSA-N 2 0 319.474 3.615 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000481907591 1035034757 /nfs/dbraw/zinc/03/47/57/1035034757.db2.gz JBZNJCYYHLBHGP-RHSMWYFYSA-N 2 0 306.881 3.692 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000482059490 1035052052 /nfs/dbraw/zinc/05/20/52/1035052052.db2.gz GHWNPSWFRLOCDH-LZEOREFUSA-N 2 0 324.871 3.987 20 0 DHADRP CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(C)c1 ZINC000668172887 1035205429 /nfs/dbraw/zinc/20/54/29/1035205429.db2.gz VWBZBVHBSINZHV-QFBILLFUSA-N 2 0 304.478 3.556 20 0 DHADRP c1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)n(-c2ccncc2)n1 ZINC000668189561 1035214104 /nfs/dbraw/zinc/21/41/04/1035214104.db2.gz HZRVGBFQGPGFJA-GOSISDBHSA-N 2 0 318.424 3.647 20 0 DHADRP c1cc(Nc2cccc(C[NH+]3CCCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC001176196383 1035218035 /nfs/dbraw/zinc/21/80/35/1035218035.db2.gz XPXJIGDLUFKFHF-UHFFFAOYSA-N 2 0 319.412 3.607 20 0 DHADRP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924784705 1035252267 /nfs/dbraw/zinc/25/22/67/1035252267.db2.gz YQMDEFUJYNNZTI-CYBMUJFWSA-N 2 0 304.384 3.877 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000483738311 1035294812 /nfs/dbraw/zinc/29/48/12/1035294812.db2.gz AACXAGRDACLRKY-RDBSUJKOSA-N 2 0 312.404 3.730 20 0 DHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C ZINC000483870252 1035306592 /nfs/dbraw/zinc/30/65/92/1035306592.db2.gz MSDPBDQZDXXKMH-QXAKKESOSA-N 2 0 318.505 3.548 20 0 DHADRP Fc1ccccc1CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168368461 1035315828 /nfs/dbraw/zinc/31/58/28/1035315828.db2.gz KIQUZEIPJKIAEW-UHFFFAOYSA-N 2 0 316.464 3.612 20 0 DHADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)Cc1ccc(F)cc1 ZINC001168368664 1035322916 /nfs/dbraw/zinc/32/29/16/1035322916.db2.gz OEDHKTPTFLBTQM-UHFFFAOYSA-N 2 0 318.480 3.858 20 0 DHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484354982 1035332514 /nfs/dbraw/zinc/33/25/14/1035332514.db2.gz RTHFRAUKUIGEKI-KBPBESRZSA-N 2 0 306.416 3.771 20 0 DHADRP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000484468691 1035337517 /nfs/dbraw/zinc/33/75/17/1035337517.db2.gz CIFDEWMDZZECSS-RYQLBKOJSA-N 2 0 304.478 3.999 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CC(C)C)CCC2)[C@@H](C)C1 ZINC000484509751 1035350382 /nfs/dbraw/zinc/35/03/82/1035350382.db2.gz TWERDOXYIXBKDZ-RBUKOAKNSA-N 2 0 324.553 3.929 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC001206296434 1035356272 /nfs/dbraw/zinc/35/62/72/1035356272.db2.gz SVLIAPCFQQEOQE-MRXNPFEDSA-N 2 0 315.288 3.987 20 0 DHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCC(C)C)CC1 ZINC001177186718 1035356994 /nfs/dbraw/zinc/35/69/94/1035356994.db2.gz XCOXYUVHOXTYEZ-UHFFFAOYSA-N 2 0 317.521 3.744 20 0 DHADRP Cc1c(Cl)cccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001177231363 1035358082 /nfs/dbraw/zinc/35/80/82/1035358082.db2.gz NIQVZGQRYOGSKV-UHFFFAOYSA-N 2 0 302.849 4.000 20 0 DHADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001206302876 1035367799 /nfs/dbraw/zinc/36/77/99/1035367799.db2.gz ACLVMZWKORLGTP-HNNXBMFYSA-N 2 0 318.358 3.795 20 0 DHADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C[NH+]1CCCCC1 ZINC001177416590 1035369813 /nfs/dbraw/zinc/36/98/13/1035369813.db2.gz TUZCKWHBWPCIPU-RLLQIKCJSA-N 2 0 322.537 3.683 20 0 DHADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001206303144 1035371880 /nfs/dbraw/zinc/37/18/80/1035371880.db2.gz BRUQATNEAVLVRL-QGZVFWFLSA-N 2 0 305.853 3.772 20 0 DHADRP CCO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001177581214 1035381874 /nfs/dbraw/zinc/38/18/74/1035381874.db2.gz KLJVLMPCLIAVAV-UXHICEINSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000163786477 1035388085 /nfs/dbraw/zinc/38/80/85/1035388085.db2.gz REFSOOAGADBIGI-HNNXBMFYSA-N 2 0 315.436 3.913 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001177736910 1035389868 /nfs/dbraw/zinc/38/98/68/1035389868.db2.gz FUYBTMPCSUHQEA-MRXNPFEDSA-N 2 0 324.468 3.752 20 0 DHADRP C[NH+](C)CC[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(C)(C)C ZINC001177822135 1035392341 /nfs/dbraw/zinc/39/23/41/1035392341.db2.gz HRPFDYQBTYUHOX-HNNXBMFYSA-N 2 0 300.849 3.935 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904301528 1035396990 /nfs/dbraw/zinc/39/69/90/1035396990.db2.gz NBKBHAXTUGHVHJ-UHFFFAOYSA-N 2 0 300.368 3.585 20 0 DHADRP CCOc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2)cc1 ZINC000904368551 1035406379 /nfs/dbraw/zinc/40/63/79/1035406379.db2.gz STUDTFCSVASFRY-MOXGXCLJSA-N 2 0 310.441 3.502 20 0 DHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C(F)F)c(F)c1)CC[NH2+]CC2 ZINC000904374584 1035407452 /nfs/dbraw/zinc/40/74/52/1035407452.db2.gz UTKSPOADJQGAEA-GFCCVEGCSA-N 2 0 312.379 3.727 20 0 DHADRP CC(C)CC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001178161355 1035411286 /nfs/dbraw/zinc/41/12/86/1035411286.db2.gz BNIHKLAPAXRRLE-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001178156714 1035411312 /nfs/dbraw/zinc/41/13/12/1035411312.db2.gz BSHQYHGYMUVTKP-FGTMMUONSA-N 2 0 312.542 3.928 20 0 DHADRP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001178249973 1035416324 /nfs/dbraw/zinc/41/63/24/1035416324.db2.gz YSXKKTFUTPEVNI-TWVNLXSWSA-N 2 0 316.489 3.666 20 0 DHADRP Cc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000904477017 1035418566 /nfs/dbraw/zinc/41/85/66/1035418566.db2.gz WJZXUYCZDONUKN-CTNGQTDRSA-N 2 0 322.452 3.649 20 0 DHADRP c1ccc2c(c1)cncc2C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001178409881 1035428114 /nfs/dbraw/zinc/42/81/14/1035428114.db2.gz YUQRRUBVTVKSHS-UHFFFAOYSA-N 2 0 323.484 3.979 20 0 DHADRP CC(C)C[C@@H](CN1CCCC1)[NH2+]C/C=C\c1ccc(F)cc1 ZINC001178774626 1035449190 /nfs/dbraw/zinc/44/91/90/1035449190.db2.gz JWTSMULYDBGTKF-VOFKWLDRSA-N 2 0 304.453 3.939 20 0 DHADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc(Cl)cs2)[C@H](c2ccccc2)C1 ZINC001179016116 1035458436 /nfs/dbraw/zinc/45/84/36/1035458436.db2.gz YHSWHLHEAHKAGZ-PBHICJAKSA-N 2 0 320.889 3.837 20 0 DHADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001179082555 1035465063 /nfs/dbraw/zinc/46/50/63/1035465063.db2.gz ZIKPQHDMDZBWBJ-UHFFFAOYSA-N 2 0 310.526 3.682 20 0 DHADRP C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001179147698 1035466242 /nfs/dbraw/zinc/46/62/42/1035466242.db2.gz JEKWAGWXYUQORN-IHPCNDPISA-N 2 0 322.537 3.682 20 0 DHADRP CN(C)c1ccccc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001179610980 1035486037 /nfs/dbraw/zinc/48/60/37/1035486037.db2.gz CPJATCCDFUQLIC-UHFFFAOYSA-N 2 0 315.505 3.639 20 0 DHADRP CC(C)Oc1cccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC001179715670 1035494750 /nfs/dbraw/zinc/49/47/50/1035494750.db2.gz AGPLNNXVAQYUBM-UHFFFAOYSA-N 2 0 316.489 3.970 20 0 DHADRP C[C@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC001179878400 1035530127 /nfs/dbraw/zinc/53/01/27/1035530127.db2.gz PNPTUWNXANKSEF-CEWLAPEOSA-N 2 0 312.501 3.988 20 0 DHADRP C[N@H+](CCCc1c(F)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC001179997643 1035559192 /nfs/dbraw/zinc/55/91/92/1035559192.db2.gz RFNHXZICEXHFPW-AWEZNQCLSA-N 2 0 312.860 3.685 20 0 DHADRP C[C@H](NCc1cc(F)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193250951 1035593646 /nfs/dbraw/zinc/59/36/46/1035593646.db2.gz SNQAAXLSEVUPRA-UONOGXRCSA-N 2 0 308.416 3.707 20 0 DHADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000494517268 1035602406 /nfs/dbraw/zinc/60/24/06/1035602406.db2.gz ZAFQZUZFOUXDIV-NXWXRZEISA-N 2 0 308.510 3.577 20 0 DHADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000494489719 1035603660 /nfs/dbraw/zinc/60/36/60/1035603660.db2.gz DWZHABNFNLEAPG-NXWXRZEISA-N 2 0 308.510 3.577 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)ccc2NC)CC1 ZINC001180123438 1035605287 /nfs/dbraw/zinc/60/52/87/1035605287.db2.gz AATGFICPZIBNHU-UHFFFAOYSA-N 2 0 317.521 3.981 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC001204267815 1035679824 /nfs/dbraw/zinc/67/98/24/1035679824.db2.gz VFIIUGGRLGDTRE-UHFFFAOYSA-N 2 0 304.478 3.782 20 0 DHADRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC001204269789 1035685637 /nfs/dbraw/zinc/68/56/37/1035685637.db2.gz JWTYWXLSQJMFTH-AZUAARDMSA-N 2 0 316.489 3.782 20 0 DHADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191462983 1035692874 /nfs/dbraw/zinc/69/28/74/1035692874.db2.gz JOXCMQHUMLPVIT-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP COc1cccc([C@H](C)[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000535574007 1035705721 /nfs/dbraw/zinc/70/57/21/1035705721.db2.gz RRRVDWPSLYUACU-HNNXBMFYSA-N 2 0 311.429 3.728 20 0 DHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001180673745 1035737232 /nfs/dbraw/zinc/73/72/32/1035737232.db2.gz QOJYRHLWPVHHGI-INIZCTEOSA-N 2 0 306.469 3.858 20 0 DHADRP CC[NH+]1CCC(C[NH2+]C2(Cc3ccccc3)CCCC2)CC1 ZINC001180698130 1035744471 /nfs/dbraw/zinc/74/44/71/1035744471.db2.gz NJNWLVVTVPPVRJ-UHFFFAOYSA-N 2 0 300.490 3.863 20 0 DHADRP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000192023082 1035748212 /nfs/dbraw/zinc/74/82/12/1035748212.db2.gz BGYHLFBKFPCPHK-MSOLQXFVSA-N 2 0 322.880 3.636 20 0 DHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000494642935 1035759066 /nfs/dbraw/zinc/75/90/66/1035759066.db2.gz LMBSUFLUIHBRLX-GGPKGHCWSA-N 2 0 318.505 3.720 20 0 DHADRP C[C@@H](CC[NH2+]C1CC(C)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC001180812428 1035767021 /nfs/dbraw/zinc/76/70/21/1035767021.db2.gz ZJHABBSRBVMLMZ-KKXNLOMOSA-N 2 0 300.490 3.961 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(CO)c1 ZINC000539563163 1035782363 /nfs/dbraw/zinc/78/23/63/1035782363.db2.gz NPBGVCOKUVGKBO-UXPWSPDFSA-N 2 0 318.505 3.730 20 0 DHADRP C[NH+]1CCC2(CCN(Cc3ccc(Cl)c(F)c3F)C2)CC1 ZINC001233212366 1035836859 /nfs/dbraw/zinc/83/68/59/1035836859.db2.gz USAJPFNGWOWKRL-UHFFFAOYSA-N 2 0 314.807 3.536 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000485708975 1035881381 /nfs/dbraw/zinc/88/13/81/1035881381.db2.gz CLSCAECCNXUUKJ-CYBMUJFWSA-N 2 0 303.475 3.820 20 0 DHADRP CC[C@H](C)[C@@H](C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)OC ZINC001181316002 1035891585 /nfs/dbraw/zinc/89/15/85/1035891585.db2.gz TUDJVOLCCZKEBP-SXLOBPIMSA-N 2 0 318.505 3.549 20 0 DHADRP C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205662878 1035912249 /nfs/dbraw/zinc/91/22/49/1035912249.db2.gz FCHLFWKCUVMEKX-QWRGUYRKSA-N 2 0 319.251 3.939 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4s3)CC[C@H]21 ZINC000539898629 1035925597 /nfs/dbraw/zinc/92/55/97/1035925597.db2.gz YWJLCANYSMKUCT-DOTOQJQBSA-N 2 0 300.471 3.817 20 0 DHADRP COC[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000540145278 1035980592 /nfs/dbraw/zinc/98/05/92/1035980592.db2.gz FNWORACWKWVQBO-IHPCNDPISA-N 2 0 318.505 3.548 20 0 DHADRP CCc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000540171296 1035992908 /nfs/dbraw/zinc/99/29/08/1035992908.db2.gz QHUCHUSHNSMBOB-XHSDSOJGSA-N 2 0 324.534 3.851 20 0 DHADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001168470939 1036034903 /nfs/dbraw/zinc/03/49/03/1036034903.db2.gz ZKUAPAPHDXTZIE-INIZCTEOSA-N 2 0 314.448 3.651 20 0 DHADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000194857804 1036055332 /nfs/dbraw/zinc/05/53/32/1036055332.db2.gz WXPARSXGBCRIOI-LJQANCHMSA-N 2 0 314.473 3.537 20 0 DHADRP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001203300557 1036186510 /nfs/dbraw/zinc/18/65/10/1036186510.db2.gz NRTMFOUJXLQBLA-PMACEKPBSA-N 2 0 324.468 3.932 20 0 DHADRP CC[NH+](CC)CCC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491309398 1036253387 /nfs/dbraw/zinc/25/33/87/1036253387.db2.gz WSMPSWRSNIAHBR-INIZCTEOSA-N 2 0 313.489 3.655 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000541201206 1036258671 /nfs/dbraw/zinc/25/86/71/1036258671.db2.gz WATDXLCYPIGARG-KRWDZBQOSA-N 2 0 318.480 3.955 20 0 DHADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c3ncccc3c2)C1 ZINC000541536377 1036357347 /nfs/dbraw/zinc/35/73/47/1036357347.db2.gz QKXNDZINCPXVJN-QGZVFWFLSA-N 2 0 311.473 3.707 20 0 DHADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000541882368 1036450594 /nfs/dbraw/zinc/45/05/94/1036450594.db2.gz GVXRYHGVIDSZQM-CEWLAPEOSA-N 2 0 324.468 3.631 20 0 DHADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000486956667 1036487278 /nfs/dbraw/zinc/48/72/78/1036487278.db2.gz JWFGSIOPPZRWLH-LJQANCHMSA-N 2 0 318.530 3.905 20 0 DHADRP CCCC[N@H+](C[C@H]1CCCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545459 1036565582 /nfs/dbraw/zinc/56/55/82/1036565582.db2.gz PMNKJOVLQFZWGF-MRXNPFEDSA-N 2 0 310.526 3.824 20 0 DHADRP CC(C)C[N@@H+](Cc1cc2ccccc2[nH]1)CC1CC[NH+](C)CC1 ZINC001183464369 1036597711 /nfs/dbraw/zinc/59/77/11/1036597711.db2.gz RVCAPUPUDGBURM-UHFFFAOYSA-N 2 0 313.489 3.968 20 0 DHADRP C[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C[NH+](C)C ZINC000491590834 1036615641 /nfs/dbraw/zinc/61/56/41/1036615641.db2.gz FELFCEYOIREFNJ-CYBMUJFWSA-N 2 0 306.450 3.842 20 0 DHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)CO2)CC1 ZINC001183532901 1036623511 /nfs/dbraw/zinc/62/35/11/1036623511.db2.gz HVGGQHKJIVHYGI-QRQLOZEOSA-N 2 0 322.537 3.824 20 0 DHADRP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274368 1036623884 /nfs/dbraw/zinc/62/38/84/1036623884.db2.gz WDDNYBTXSOWQBX-HNNXBMFYSA-N 2 0 316.367 3.597 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000487276731 1036634930 /nfs/dbraw/zinc/63/49/30/1036634930.db2.gz JQRWQLZGJCDOLV-KRWDZBQOSA-N 2 0 310.457 3.680 20 0 DHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000668783737 1036691593 /nfs/dbraw/zinc/69/15/93/1036691593.db2.gz UPICGDPTKMYRQF-IAGOWNOFSA-N 2 0 310.551 3.618 20 0 DHADRP C[N@H+](CCCC[NH+]1CCCCC1)CCCc1cccc(F)c1 ZINC001197285137 1036737323 /nfs/dbraw/zinc/73/73/23/1036737323.db2.gz OEDYZAHGPSTFOW-UHFFFAOYSA-N 2 0 306.469 3.956 20 0 DHADRP c1ccc(C[C@@H]2C[C@H]2CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001184153332 1036747724 /nfs/dbraw/zinc/74/77/24/1036747724.db2.gz FQVMEBJUYFJPOA-WOJBJXKFSA-N 2 0 312.501 3.719 20 0 DHADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)c1ccccc1 ZINC001184291160 1036805477 /nfs/dbraw/zinc/80/54/77/1036805477.db2.gz PTROJEHOTUOLAW-BTHPGYMESA-N 2 0 300.490 3.842 20 0 DHADRP CC[NH+](CC)CC[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC001184417384 1036840686 /nfs/dbraw/zinc/84/06/86/1036840686.db2.gz CRFAXEBZCPULPT-CMKODMSKSA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccccn2)c1 ZINC000924830320 1036862954 /nfs/dbraw/zinc/86/29/54/1036862954.db2.gz WQJSCLZGDKLMGV-QGZVFWFLSA-N 2 0 311.473 3.643 20 0 DHADRP C[C@@H]1CC(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)C[C@@H](C)C1 ZINC001197738225 1036864242 /nfs/dbraw/zinc/86/42/42/1036864242.db2.gz FTAWZEYLYZFERL-IRXDYDNUSA-N 2 0 322.537 3.682 20 0 DHADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](OC)C2CCCCC2)CC1 ZINC001197891883 1036896152 /nfs/dbraw/zinc/89/61/52/1036896152.db2.gz RBOUQEILJOZHSG-GOSISDBHSA-N 2 0 308.510 3.532 20 0 DHADRP Cc1csc2sc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c(C)c12 ZINC001205303435 1036898981 /nfs/dbraw/zinc/89/89/81/1036898981.db2.gz FOHHCYRPGZLPRX-ZWNOBZJWSA-N 2 0 308.516 3.996 20 0 DHADRP Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203892711 1036929341 /nfs/dbraw/zinc/92/93/41/1036929341.db2.gz OILDGMZASGLYRD-OYRHEFFESA-N 2 0 306.453 3.559 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000236737704 1036976710 /nfs/dbraw/zinc/97/67/10/1036976710.db2.gz ZSGRWBMIYZCLGM-MRXNPFEDSA-N 2 0 304.478 3.997 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CS1 ZINC000488431110 1037016552 /nfs/dbraw/zinc/01/65/52/1037016552.db2.gz FXEIGJVZNHAFFN-MOPGFXCFSA-N 2 0 318.530 3.555 20 0 DHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCCCC2)C[C@H](C)O1 ZINC000237619783 1037018428 /nfs/dbraw/zinc/01/84/28/1037018428.db2.gz BZLKKSCUHSETKL-IRXDYDNUSA-N 2 0 316.489 3.718 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000237674442 1037023151 /nfs/dbraw/zinc/02/31/51/1037023151.db2.gz VHRLFDSMKIPZLM-KLAILNCOSA-N 2 0 304.453 3.926 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CS1 ZINC000488455289 1037024685 /nfs/dbraw/zinc/02/46/85/1037024685.db2.gz FAECGDQWPAWDAL-MOPGFXCFSA-N 2 0 318.530 3.902 20 0 DHADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CS1 ZINC000488455669 1037026629 /nfs/dbraw/zinc/02/66/29/1037026629.db2.gz FSOCIBYUTKTIHK-MSOLQXFVSA-N 2 0 306.519 3.628 20 0 DHADRP Cc1cc(C)c([C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c(C)c1 ZINC000316414443 1037098093 /nfs/dbraw/zinc/09/80/93/1037098093.db2.gz JGRNGQAGQNLJFY-KRWDZBQOSA-N 2 0 304.478 3.503 20 0 DHADRP C[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC001235433541 1037103848 /nfs/dbraw/zinc/10/38/48/1037103848.db2.gz LVFGFVMKPCLOCO-UHFFFAOYSA-N 2 0 320.786 3.790 20 0 DHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629555788 1037144494 /nfs/dbraw/zinc/14/44/94/1037144494.db2.gz DZBCSGFLGWWVSI-JKSUJKDBSA-N 2 0 305.853 3.613 20 0 DHADRP C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309685308 1037173425 /nfs/dbraw/zinc/17/34/25/1037173425.db2.gz APAORFZGVGTQOM-LPHOPBHVSA-N 2 0 312.432 3.826 20 0 DHADRP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000322580979 1037222382 /nfs/dbraw/zinc/22/23/82/1037222382.db2.gz HQVXLRKQLREKJA-IAGOWNOFSA-N 2 0 310.441 3.565 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)c(Cl)cc2C)CC1 ZINC001235679903 1037228083 /nfs/dbraw/zinc/22/80/83/1037228083.db2.gz OKTYRQSAQLCHFR-UHFFFAOYSA-N 2 0 301.261 3.733 20 0 DHADRP CC(C)c1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)c(Cl)n1 ZINC001235717760 1037239403 /nfs/dbraw/zinc/23/94/03/1037239403.db2.gz LVJWVCTYZICWAF-UHFFFAOYSA-N 2 0 309.885 3.680 20 0 DHADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2sccc2Cl)CC1 ZINC001205339123 1037253648 /nfs/dbraw/zinc/25/36/48/1037253648.db2.gz AHUHOGGCCQCLBU-UHFFFAOYSA-N 2 0 300.899 3.954 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000774950177 1037267933 /nfs/dbraw/zinc/26/79/33/1037267933.db2.gz MAILYABEHHEAJW-HXUWFJFHSA-N 2 0 314.473 3.701 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000178217310 1037301279 /nfs/dbraw/zinc/30/12/79/1037301279.db2.gz FBJQLFCVZHSWIX-SFHVURJKSA-N 2 0 318.505 3.967 20 0 DHADRP Cc1cccc2c(CC[NH2+]C3CC[NH+](C(C)(C)C)CC3)c[nH]c21 ZINC000178779807 1037344535 /nfs/dbraw/zinc/34/45/35/1037344535.db2.gz GIDZTNZIPZNJIC-UHFFFAOYSA-N 2 0 313.489 3.871 20 0 DHADRP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001168454860 1037345445 /nfs/dbraw/zinc/34/54/45/1037345445.db2.gz BHINLIVTZWEYOD-OAHLLOKOSA-N 2 0 300.421 3.608 20 0 DHADRP CC[C@H]([NH2+]C1CCN(CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152626577 1037474858 /nfs/dbraw/zinc/47/48/58/1037474858.db2.gz VRFOHWRVXGGJHW-SFHVURJKSA-N 2 0 302.462 3.537 20 0 DHADRP CC(C)SCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398046541 1037588291 /nfs/dbraw/zinc/58/82/91/1037588291.db2.gz VZLZSQCSLHEJHD-WMZOPIPTSA-N 2 0 306.519 3.628 20 0 DHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490152276 1037613646 /nfs/dbraw/zinc/61/36/46/1037613646.db2.gz VDCSZEJTYRPCRN-OQSMONGASA-N 2 0 310.526 3.680 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000776164320 1037630073 /nfs/dbraw/zinc/63/00/73/1037630073.db2.gz YVXPRFCSEFZKTK-OPQOLIRYSA-N 2 0 308.510 3.577 20 0 DHADRP Cc1nc2ccc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)cc2s1 ZINC000494078735 1037640539 /nfs/dbraw/zinc/64/05/39/1037640539.db2.gz LPBVKZSCQCLFSV-GJZGRUSLSA-N 2 0 303.475 3.567 20 0 DHADRP CC(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201447962 1037702445 /nfs/dbraw/zinc/70/24/45/1037702445.db2.gz WBYNEIDGQJGKGA-RBUKOAKNSA-N 2 0 300.490 3.877 20 0 DHADRP CC(C)=CCC[C@@H](C)C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201496763 1037714547 /nfs/dbraw/zinc/71/45/47/1037714547.db2.gz QSZHDELFSBFDKP-GOSISDBHSA-N 2 0 322.537 3.944 20 0 DHADRP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490506494 1037724311 /nfs/dbraw/zinc/72/43/11/1037724311.db2.gz CFUIFTFVSARXSR-UHFFFAOYSA-N 2 0 300.490 3.918 20 0 DHADRP CCCC[C@@H](CC)CN1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201567122 1037780745 /nfs/dbraw/zinc/78/07/45/1037780745.db2.gz XUEWPGXYEOLQAR-QGZVFWFLSA-N 2 0 320.525 3.755 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3cccc4ccccc43)cc[nH+]2)CC1 ZINC001201667156 1037821596 /nfs/dbraw/zinc/82/15/96/1037821596.db2.gz MMIUQVWIHWUXET-UHFFFAOYSA-N 2 0 318.424 3.730 20 0 DHADRP Cc1cccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1Cl ZINC001201671368 1037824259 /nfs/dbraw/zinc/82/42/59/1037824259.db2.gz ARLJLDAVLNSKDR-UHFFFAOYSA-N 2 0 316.836 3.539 20 0 DHADRP FC1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC001201673515 1037826222 /nfs/dbraw/zinc/82/62/22/1037826222.db2.gz KXEMVNLHTYHIKJ-UHFFFAOYSA-N 2 0 304.453 3.518 20 0 DHADRP C[NH+]1CCN(c2cc(Nc3cc4cccccc-4c3)cc[nH+]2)CC1 ZINC001201655849 1037837769 /nfs/dbraw/zinc/83/77/69/1037837769.db2.gz SVAMVPUYCDZCNQ-UHFFFAOYSA-N 2 0 318.424 3.682 20 0 DHADRP CSCCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201700683 1037844613 /nfs/dbraw/zinc/84/46/13/1037844613.db2.gz YPCXUIGSIBZJOE-OALUTQOASA-N 2 0 318.530 3.584 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3ccc(OC)cc32)c1 ZINC000123920324 1037872129 /nfs/dbraw/zinc/87/21/29/1037872129.db2.gz VGFBZPBXBAYYIU-OAQYLSRUSA-N 2 0 324.468 3.924 20 0 DHADRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3CC3)C[C@@H]21 ZINC001201918333 1037940248 /nfs/dbraw/zinc/94/02/48/1037940248.db2.gz IUKSWGPBXWZEKA-BPQIPLTHSA-N 2 0 304.503 3.690 20 0 DHADRP C[NH+](C)CCSCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001188988915 1038037905 /nfs/dbraw/zinc/03/79/05/1038037905.db2.gz VJFYPNIGQDZPAG-UHFFFAOYSA-N 2 0 320.546 3.626 20 0 DHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000126387877 1038062831 /nfs/dbraw/zinc/06/28/31/1038062831.db2.gz SMMFSDUVVLBPAL-GFCCVEGCSA-N 2 0 316.367 3.578 20 0 DHADRP CCCCCCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000776257740 1038092753 /nfs/dbraw/zinc/09/27/53/1038092753.db2.gz OJLSDHYNLAIYAD-UHFFFAOYSA-N 2 0 316.489 3.997 20 0 DHADRP CCCCCCOc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000776258318 1038094944 /nfs/dbraw/zinc/09/49/44/1038094944.db2.gz RDSPVVAHEQZUIR-UHFFFAOYSA-N 2 0 316.489 3.997 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000066152272 1038143061 /nfs/dbraw/zinc/14/30/61/1038143061.db2.gz KUBSSBVKZYOPAC-UHFFFAOYSA-N 2 0 304.478 3.543 20 0 DHADRP C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc(Br)cc1F ZINC000127054302 1038144880 /nfs/dbraw/zinc/14/48/80/1038144880.db2.gz SVGDKEYRLGLHOL-MNOVXSKESA-N 2 0 317.246 3.579 20 0 DHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1C[NH+]1CCCCC1 ZINC000775383731 1038310671 /nfs/dbraw/zinc/31/06/71/1038310671.db2.gz PGZPQEAWIPFLRD-BQFCYCMXSA-N 2 0 316.489 3.988 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000572473204 1038375594 /nfs/dbraw/zinc/37/55/94/1038375594.db2.gz NHVLAXJVYLFQNY-CRAIPNDOSA-N 2 0 318.530 3.946 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccsc1 ZINC000760712681 1038399046 /nfs/dbraw/zinc/39/90/46/1038399046.db2.gz IWPSYXXOLSGJRP-HZPDHXFCSA-N 2 0 314.498 3.994 20 0 DHADRP CS[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000775507534 1038600252 /nfs/dbraw/zinc/60/02/52/1038600252.db2.gz AEWBQWWVVTZMGE-XGXHKWSGSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)CC[C@@H]1C[NH3+] ZINC001205603072 1038679650 /nfs/dbraw/zinc/67/96/50/1038679650.db2.gz NPHYHXPEBNCMBB-CHWSQXEVSA-N 2 0 315.288 3.843 20 0 DHADRP C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)CC[C@H]1C[NH3+] ZINC001205604669 1038693470 /nfs/dbraw/zinc/69/34/70/1038693470.db2.gz VZEXHDTXZHHKRF-JSGCOSHPSA-N 2 0 315.288 3.843 20 0 DHADRP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCCc1cncn1C ZINC000573263142 1038894215 /nfs/dbraw/zinc/89/42/15/1038894215.db2.gz FTBIFDLHQSIJEW-GOSISDBHSA-N 2 0 303.425 3.821 20 0 DHADRP CCC[C@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000591710524 1038967636 /nfs/dbraw/zinc/96/76/36/1038967636.db2.gz HAKOCLXCDHMEPC-SFHVURJKSA-N 2 0 304.478 3.830 20 0 DHADRP CC(C)SCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000592367093 1039165232 /nfs/dbraw/zinc/16/52/32/1039165232.db2.gz SYJHYKIDVNEIBZ-SFHVURJKSA-N 2 0 318.530 3.915 20 0 DHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCCCF)C2)s1 ZINC000573972462 1039189964 /nfs/dbraw/zinc/18/99/64/1039189964.db2.gz MFXMHDZHVIBYMN-INIZCTEOSA-N 2 0 312.498 3.950 20 0 DHADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]CCC2CCOCC2)c1 ZINC000603949262 1039246542 /nfs/dbraw/zinc/24/65/42/1039246542.db2.gz KHMPNYMGTJUMCC-UHFFFAOYSA-N 2 0 316.489 3.579 20 0 DHADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168417965 1039476868 /nfs/dbraw/zinc/47/68/68/1039476868.db2.gz VEEPCHDQSSZRCD-UFYCRDLUSA-N 2 0 318.480 3.911 20 0 DHADRP Cc1ncsc1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000606431589 1039870757 /nfs/dbraw/zinc/87/07/57/1039870757.db2.gz WBRDXPQSPPBSPR-UHFFFAOYSA-N 2 0 321.534 3.582 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000574772047 1039938462 /nfs/dbraw/zinc/93/84/62/1039938462.db2.gz XFWIRZAYQDRYCG-UONOGXRCSA-N 2 0 301.261 3.786 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000607151904 1040103127 /nfs/dbraw/zinc/10/31/27/1040103127.db2.gz KEXUYRLQLKBBKV-UHFFFAOYSA-N 2 0 310.526 3.780 20 0 DHADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000534058969 1040698467 /nfs/dbraw/zinc/69/84/67/1040698467.db2.gz KCOXMBPRGGOQCH-INIZCTEOSA-N 2 0 313.272 3.912 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000534059571 1040698614 /nfs/dbraw/zinc/69/86/14/1040698614.db2.gz OYQBJJGMCVNCHP-ZBEGNZNMSA-N 2 0 313.272 3.912 20 0 DHADRP c1ccc(CSCC[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000597248479 1040709208 /nfs/dbraw/zinc/70/92/08/1040709208.db2.gz XQFCYWHZQPCZCD-UHFFFAOYSA-N 2 0 318.530 3.631 20 0 DHADRP FC(F)C1CC[NH+](CCCC[NH+]2CCC(C(F)F)CC2)CC1 ZINC000534275792 1040790265 /nfs/dbraw/zinc/79/02/65/1040790265.db2.gz AQFWAVJYYQAUPF-UHFFFAOYSA-N 2 0 324.406 3.721 20 0 DHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1sccc1Br ZINC000571669502 335000326 /nfs/dbraw/zinc/00/03/26/335000326.db2.gz QMMKCFUMRUQFPE-NHCYSSNCSA-N 2 0 317.296 3.679 20 0 DHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000135166152 335024966 /nfs/dbraw/zinc/02/49/66/335024966.db2.gz GHQYFDYNCOXXOT-UHFFFAOYSA-N 2 0 319.674 3.534 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000272487761 130034315 /nfs/dbraw/zinc/03/43/15/130034315.db2.gz BWKCUKAPSVMUSU-HNNXBMFYSA-N 2 0 308.466 3.684 20 0 DHADRP Cc1ccncc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272671641 130051405 /nfs/dbraw/zinc/05/14/05/130051405.db2.gz KRCQBGFOZWKVMM-IKGGRYGDSA-N 2 0 301.478 3.694 20 0 DHADRP C[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272704662 130055683 /nfs/dbraw/zinc/05/56/83/130055683.db2.gz ZYTATYZYUQHYBW-VQIMIIECSA-N 2 0 318.530 3.630 20 0 DHADRP CSc1ccccc1C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272843576 130069119 /nfs/dbraw/zinc/06/91/19/130069119.db2.gz JWTIZAIWTMEYMR-OAHLLOKOSA-N 2 0 306.519 3.661 20 0 DHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000275585189 130344045 /nfs/dbraw/zinc/34/40/45/130344045.db2.gz OAMPQWFVPAZEFK-LPHOPBHVSA-N 2 0 304.453 3.924 20 0 DHADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2)CC1 ZINC000340179658 131004843 /nfs/dbraw/zinc/00/48/43/131004843.db2.gz BYDSXDATMQRFGH-LJQANCHMSA-N 2 0 316.489 3.576 20 0 DHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cn[nH]c1 ZINC000283693772 131013453 /nfs/dbraw/zinc/01/34/53/131013453.db2.gz ANJDEYQHVLQKPB-JKSUJKDBSA-N 2 0 312.461 3.635 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000340185787 131022165 /nfs/dbraw/zinc/02/21/65/131022165.db2.gz VZEVPJXFVKTZED-VQIMIIECSA-N 2 0 316.489 3.718 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197773 131146654 /nfs/dbraw/zinc/14/66/54/131146654.db2.gz WKWTVEBHYOMVJD-QAPCUYQASA-N 2 0 313.445 3.504 20 0 DHADRP Cn1ccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000286219940 131224785 /nfs/dbraw/zinc/22/47/85/131224785.db2.gz SIKYVBQMMGOSPV-UHFFFAOYSA-N 2 0 311.473 3.558 20 0 DHADRP Cc1cncc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000287473846 131282279 /nfs/dbraw/zinc/28/22/79/131282279.db2.gz WOVGOESUKFFSRP-ZWOKBUDYSA-N 2 0 309.457 3.704 20 0 DHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340262301 131301988 /nfs/dbraw/zinc/30/19/88/131301988.db2.gz XFLBOQLHKGTRMZ-DNVCBOLYSA-N 2 0 304.478 3.571 20 0 DHADRP C[C@H](c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1)C(F)(F)F ZINC000297523467 132020261 /nfs/dbraw/zinc/02/02/61/132020261.db2.gz OQYCDCKCOPJNKA-UKRRQHHQSA-N 2 0 314.395 3.736 20 0 DHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1ccccc1 ZINC000297592144 132024448 /nfs/dbraw/zinc/02/44/48/132024448.db2.gz JGYZOUUOHSUWGD-DLBZAZTESA-N 2 0 309.457 3.832 20 0 DHADRP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297761906 132032652 /nfs/dbraw/zinc/03/26/52/132032652.db2.gz UYKKEJCLPOSPSD-KRWDZBQOSA-N 2 0 313.470 3.779 20 0 DHADRP CCC[NH+]1CCC(NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000121757784 132158744 /nfs/dbraw/zinc/15/87/44/132158744.db2.gz RBEUEEOLPAUXKI-FQEVSTJZSA-N 2 0 317.521 3.534 20 0 DHADRP COC[C@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)C1CCCC1 ZINC000525869511 335071125 /nfs/dbraw/zinc/07/11/25/335071125.db2.gz SRIFFSWKXKXRRD-FQEVSTJZSA-N 2 0 318.505 3.822 20 0 DHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000391742481 335087513 /nfs/dbraw/zinc/08/75/13/335087513.db2.gz SJVDPAWZJVZIJH-ZWKOTPCHSA-N 2 0 310.485 3.994 20 0 DHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000174001970 332841674 /nfs/dbraw/zinc/84/16/74/332841674.db2.gz IVTIZQGVRXLRHY-KRWDZBQOSA-N 2 0 309.457 3.644 20 0 DHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000533466303 331537600 /nfs/dbraw/zinc/53/76/00/331537600.db2.gz VUJXOFJWJOPQQJ-QZTJIDSGSA-N 2 0 324.553 3.806 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000070189086 331658210 /nfs/dbraw/zinc/65/82/10/331658210.db2.gz DQKUBHWZIYILEV-UHFFFAOYSA-N 2 0 301.261 3.815 20 0 DHADRP C[NH2+]CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000070188983 331658225 /nfs/dbraw/zinc/65/82/25/331658225.db2.gz WDZJVOHTUQGEDG-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000556611572 331720231 /nfs/dbraw/zinc/72/02/31/331720231.db2.gz PYDBWXALYOHANR-XLIONFOSSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(OC(F)F)c1 ZINC000556859642 331742802 /nfs/dbraw/zinc/74/28/02/331742802.db2.gz VMMZKXFNBKPGIG-LRVUVFPRSA-N 2 0 312.404 3.811 20 0 DHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000556872998 331745944 /nfs/dbraw/zinc/74/59/44/331745944.db2.gz SXAFTJJHCRIBJL-XOKHGSTOSA-N 2 0 310.432 3.748 20 0 DHADRP Cc1nc(-c2ccc(CC[NH2+]C3CCC([NH3+])CC3)s2)cs1 ZINC000584219571 331865141 /nfs/dbraw/zinc/86/51/41/331865141.db2.gz HGJBKABARNFWFR-UHFFFAOYSA-N 2 0 321.515 3.582 20 0 DHADRP CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000518266331 332002976 /nfs/dbraw/zinc/00/29/76/332002976.db2.gz ZWAODZFRBPJCRM-HDICACEKSA-N 2 0 318.505 3.933 20 0 DHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000128454743 332012525 /nfs/dbraw/zinc/01/25/25/332012525.db2.gz LJHRXNLAPAGOKO-WFASDCNBSA-N 2 0 300.393 3.654 20 0 DHADRP c1ccc(CCN2CC[C@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000559333293 332027785 /nfs/dbraw/zinc/02/77/85/332027785.db2.gz KCPDSNKBVQNHFK-FKBYEOEOSA-N 2 0 320.480 3.697 20 0 DHADRP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c2ccccc12 ZINC000092253938 332123030 /nfs/dbraw/zinc/12/30/30/332123030.db2.gz PSJPHDDLSVGUEJ-MRXNPFEDSA-N 2 0 312.457 3.622 20 0 DHADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000428247279 332164501 /nfs/dbraw/zinc/16/45/01/332164501.db2.gz TZLORWCPEOIWMD-QUCCMNQESA-N 2 0 318.505 3.816 20 0 DHADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000448029045 332201687 /nfs/dbraw/zinc/20/16/87/332201687.db2.gz POMADZYFXRJOOQ-BOSXTWCSSA-N 2 0 300.490 3.986 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)CC[N@@H+]1C ZINC000426054766 335096770 /nfs/dbraw/zinc/09/67/70/335096770.db2.gz LOYGSHULKWYFBL-GJZGRUSLSA-N 2 0 322.443 3.849 20 0 DHADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000560021360 332302650 /nfs/dbraw/zinc/30/26/50/332302650.db2.gz FTAAZCWWNILVKZ-KGLIPLIRSA-N 2 0 312.860 3.874 20 0 DHADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000049529321 332315175 /nfs/dbraw/zinc/31/51/75/332315175.db2.gz XQLFQBNAHUFEBD-MRXNPFEDSA-N 2 0 301.459 3.853 20 0 DHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000560236189 332321398 /nfs/dbraw/zinc/32/13/98/332321398.db2.gz FGZLDJHHBQKQRP-TZMCWYRMSA-N 2 0 300.899 3.654 20 0 DHADRP CC(C)c1ccc(OC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000564973504 332328874 /nfs/dbraw/zinc/32/88/74/332328874.db2.gz MWBKNJWMWHCEJJ-FQEVSTJZSA-N 2 0 316.489 3.653 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000560528282 332351792 /nfs/dbraw/zinc/35/17/92/332351792.db2.gz PAQJNRFAJYFKJW-SQNIBIBYSA-N 2 0 304.453 3.566 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000560528443 332352040 /nfs/dbraw/zinc/35/20/40/332352040.db2.gz FXYDPJFOEWNWLR-JLSDUUJJSA-N 2 0 304.453 3.566 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)[C@@H]2CCC[C@H]21 ZINC000560542734 332355643 /nfs/dbraw/zinc/35/56/43/332355643.db2.gz GEPUMOKWPLLYJU-SESVDKBCSA-N 2 0 321.468 3.711 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)[C@@H](C)C1 ZINC000560569736 332360573 /nfs/dbraw/zinc/36/05/73/332360573.db2.gz JALCJAXGWVOEGQ-WMLDXEAASA-N 2 0 319.880 3.615 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH3+])CCCCC1)CC3 ZINC000560944273 332396029 /nfs/dbraw/zinc/39/60/29/332396029.db2.gz CXTTUIUKJSPKSA-HNNXBMFYSA-N 2 0 311.473 3.585 20 0 DHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000566480972 332445821 /nfs/dbraw/zinc/44/58/21/332445821.db2.gz CWZQYSDZQGKIQK-LSDHHAIUSA-N 2 0 312.379 3.944 20 0 DHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000518827431 335113315 /nfs/dbraw/zinc/11/33/15/335113315.db2.gz RWEKPMRCWBMJMN-MJGOQNOKSA-N 2 0 323.569 3.597 20 0 DHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000562019426 332533277 /nfs/dbraw/zinc/53/32/77/332533277.db2.gz KADSAGSNIHAISU-MOPGFXCFSA-N 2 0 316.489 3.685 20 0 DHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261858168 332567217 /nfs/dbraw/zinc/56/72/17/332567217.db2.gz FMYDCXMFHWCBBX-RYUDHWBXSA-N 2 0 316.367 3.705 20 0 DHADRP CC(C)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCCCCC1 ZINC000562303508 332571878 /nfs/dbraw/zinc/57/18/78/332571878.db2.gz VYBLXIBZVHHWKG-GPJFCIFZSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH2+]CC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000262305693 332633124 /nfs/dbraw/zinc/63/31/24/332633124.db2.gz PCZVAPYNUWZZBP-UHFFFAOYSA-N 2 0 315.486 3.632 20 0 DHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000051693410 332657353 /nfs/dbraw/zinc/65/73/53/332657353.db2.gz XFEOOVNTYAOXQB-PKSQDBQZSA-N 2 0 302.340 3.506 20 0 DHADRP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570162258 332719573 /nfs/dbraw/zinc/71/95/73/332719573.db2.gz GQYRDQOUFLYYEM-KSSFIOAISA-N 2 0 308.416 3.737 20 0 DHADRP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570162259 332719626 /nfs/dbraw/zinc/71/96/26/332719626.db2.gz GQYRDQOUFLYYEM-RDTXWAMCSA-N 2 0 308.416 3.737 20 0 DHADRP COC1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000182487579 333041069 /nfs/dbraw/zinc/04/10/69/333041069.db2.gz UPYYUQIUDOXCAV-UHFFFAOYSA-N 2 0 308.510 3.722 20 0 DHADRP Cc1c(Cl)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)nc2ccccc12 ZINC000261921973 333052157 /nfs/dbraw/zinc/05/21/57/333052157.db2.gz HYXMFBWAEIETCW-ZDUSSCGKSA-N 2 0 317.864 3.756 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000582026433 333171992 /nfs/dbraw/zinc/17/19/92/333171992.db2.gz HWVISKQKXADFNX-HBFSDRIKSA-N 2 0 323.569 3.740 20 0 DHADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000310763131 333258501 /nfs/dbraw/zinc/25/85/01/333258501.db2.gz NAQSVFJJNLBBHF-DOMZBBRYSA-N 2 0 313.283 3.688 20 0 DHADRP C[NH+](C)C1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000514087313 333260169 /nfs/dbraw/zinc/26/01/69/333260169.db2.gz GLYCIXCGJBXJJC-UHFFFAOYSA-N 2 0 302.506 3.989 20 0 DHADRP CC1(C)CC([NH2+][C@H]2CCCc3ccc(O)cc32)CC(C)(C)[NH2+]1 ZINC000319213140 333273897 /nfs/dbraw/zinc/27/38/97/333273897.db2.gz OOPASUPJKQKKSX-KRWDZBQOSA-N 2 0 302.462 3.668 20 0 DHADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000390680916 333314720 /nfs/dbraw/zinc/31/47/20/333314720.db2.gz VUANSVAQLQWXDL-QKPAOTATSA-N 2 0 300.437 3.712 20 0 DHADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390697526 333315885 /nfs/dbraw/zinc/31/58/85/333315885.db2.gz AORFFJQEIQQVMG-LMMKCTJWSA-N 2 0 300.490 3.923 20 0 DHADRP C[C@@H]1C[C@@H](NCc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000531213522 333334990 /nfs/dbraw/zinc/33/49/90/333334990.db2.gz YLHMWPNYNLFNLM-HIFRSBDPSA-N 2 0 307.507 3.763 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2cccc(Cl)c2)C[C@H]1C ZINC000531378377 333347490 /nfs/dbraw/zinc/34/74/90/333347490.db2.gz FBZXAOJFBLABCB-WBVHZDCISA-N 2 0 324.896 3.914 20 0 DHADRP CC[N@@H+]1CC[C@@H](N(C)CCOc2ccccc2Cl)C[C@@H]1C ZINC000531379059 333347901 /nfs/dbraw/zinc/34/79/01/333347901.db2.gz UEZDWXBCXNMVAP-LSDHHAIUSA-N 2 0 310.869 3.523 20 0 DHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382309 333347935 /nfs/dbraw/zinc/34/79/35/333347935.db2.gz SDRCQHPERKQPPH-WMZOPIPTSA-N 2 0 304.478 3.778 20 0 DHADRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)CC1 ZINC000583467929 333359997 /nfs/dbraw/zinc/35/99/97/333359997.db2.gz ZSDRRRBJKVVHLC-YATRRXNKSA-N 2 0 320.427 3.642 20 0 DHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)c1 ZINC000488425092 333375956 /nfs/dbraw/zinc/37/59/56/333375956.db2.gz FGWLLDLBQAMXAX-QZTJIDSGSA-N 2 0 306.519 3.758 20 0 DHADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000063159037 333445976 /nfs/dbraw/zinc/44/59/76/333445976.db2.gz CDNPULNGCAIROG-NSHDSACASA-N 2 0 301.261 3.986 20 0 DHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000320800458 335144056 /nfs/dbraw/zinc/14/40/56/335144056.db2.gz PKUKRGVXHXSIOJ-FQEVSTJZSA-N 2 0 316.489 3.927 20 0 DHADRP CCCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000531686972 333542720 /nfs/dbraw/zinc/54/27/20/333542720.db2.gz VQMUZTAPNHVNKK-FQEVSTJZSA-N 2 0 317.521 3.535 20 0 DHADRP CC1(C)CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000563440540 333606285 /nfs/dbraw/zinc/60/62/85/333606285.db2.gz MDGXBDZXHXXWPS-WDSOQIARSA-N 2 0 322.537 3.703 20 0 DHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)C1 ZINC000571537583 333815083 /nfs/dbraw/zinc/81/50/83/333815083.db2.gz KTCJNSGZQSWHPO-SFTDATJTSA-N 2 0 324.468 3.763 20 0 DHADRP c1[nH+]cn2cc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)ccc12 ZINC000414200601 333913328 /nfs/dbraw/zinc/91/33/28/333913328.db2.gz ZZDKJPBPNYQJGV-JXFKEZNVSA-N 2 0 321.424 3.592 20 0 DHADRP COCCC1(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCCCC1 ZINC000436286422 333918682 /nfs/dbraw/zinc/91/86/82/333918682.db2.gz HIWQTRUNNWXPRQ-GOSISDBHSA-N 2 0 310.526 3.685 20 0 DHADRP [NH3+]C1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000414654358 334055169 /nfs/dbraw/zinc/05/51/69/334055169.db2.gz IYETVUFXZVSMBM-UHFFFAOYSA-N 2 0 308.469 3.511 20 0 DHADRP CC[NH2+]CC1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000414653119 334055311 /nfs/dbraw/zinc/05/53/11/334055311.db2.gz AOVADUFENAMXHW-PMACEKPBSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414701862 334070794 /nfs/dbraw/zinc/07/07/94/334070794.db2.gz KZIOKYYGVJSSTO-OCCSQVGLSA-N 2 0 300.368 3.525 20 0 DHADRP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772926 334090408 /nfs/dbraw/zinc/09/04/08/334090408.db2.gz CTDWBVHLHLZEEN-KBPBESRZSA-N 2 0 312.379 3.527 20 0 DHADRP FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414783792 334094314 /nfs/dbraw/zinc/09/43/14/334094314.db2.gz REPJLCKRFJAEJB-HZPDHXFCSA-N 2 0 312.379 3.683 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414793544 334098722 /nfs/dbraw/zinc/09/87/22/334098722.db2.gz DRMRMSGAYJMVLI-XPKDYRNWSA-N 2 0 314.395 3.744 20 0 DHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000414803559 334102386 /nfs/dbraw/zinc/10/23/86/334102386.db2.gz DBPATBJUIBQGKE-CYBMUJFWSA-N 2 0 320.383 3.640 20 0 DHADRP [NH3+]C[C@H]1CCCC[C@@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000414801639 334102980 /nfs/dbraw/zinc/10/29/80/334102980.db2.gz LZYWHUCBJOBEHY-CJNGLKHVSA-N 2 0 319.449 3.556 20 0 DHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414812139 334106038 /nfs/dbraw/zinc/10/60/38/334106038.db2.gz QXKRBTOEDULLIW-ZDUSSCGKSA-N 2 0 314.477 3.564 20 0 DHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414817191 334106906 /nfs/dbraw/zinc/10/69/06/334106906.db2.gz AEUJEAWLLQVTKZ-IPYPFGDCSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414854510 334127917 /nfs/dbraw/zinc/12/79/17/334127917.db2.gz LYFKHLLQNVYQLA-DZGCQCFKSA-N 2 0 314.395 3.616 20 0 DHADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414863042 334133746 /nfs/dbraw/zinc/13/37/46/334133746.db2.gz XVQCMORPLNKEOQ-FXAWDEMLSA-N 2 0 324.468 3.743 20 0 DHADRP [NH3+]C1(C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CCC1 ZINC000414869176 334141621 /nfs/dbraw/zinc/14/16/21/334141621.db2.gz AHNNYHSIRYIYHP-FQEVSTJZSA-N 2 0 308.469 3.702 20 0 DHADRP Cc1ccnc([C@@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000286248239 334152382 /nfs/dbraw/zinc/15/23/82/334152382.db2.gz UHAZAHRDKKLPOO-UYAOXDASSA-N 2 0 323.484 3.605 20 0 DHADRP [NH3+]C1(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCC1 ZINC000414884090 334153489 /nfs/dbraw/zinc/15/34/89/334153489.db2.gz VMFXGBZOFMTTSA-UHFFFAOYSA-N 2 0 316.395 3.568 20 0 DHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414941260 334202432 /nfs/dbraw/zinc/20/24/32/334202432.db2.gz LHTJSQADSRLIFU-HFAKWTLXSA-N 2 0 301.261 3.512 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414945961 334205134 /nfs/dbraw/zinc/20/51/34/334205134.db2.gz IZOMPWCNSROLKL-XMSQKQJNSA-N 2 0 322.496 3.818 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414949451 334206408 /nfs/dbraw/zinc/20/64/08/334206408.db2.gz NLEHGEQNKNNAQI-RARDXLECSA-N 2 0 316.489 3.840 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000414949011 334206833 /nfs/dbraw/zinc/20/68/33/334206833.db2.gz ZIBBXRMAGAJSGW-DNVCBOLYSA-N 2 0 312.482 3.925 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414951329 334207460 /nfs/dbraw/zinc/20/74/60/334207460.db2.gz PSEVIKLEKHMVCM-VXGBXAGGSA-N 2 0 301.261 3.656 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414956035 334208461 /nfs/dbraw/zinc/20/84/61/334208461.db2.gz MULWXRNCJSDJLB-WBMJQRKESA-N 2 0 304.434 3.642 20 0 DHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC[NH2+]1 ZINC000414960327 334212308 /nfs/dbraw/zinc/21/23/08/334212308.db2.gz YCYHFSWEYWLECA-TZMCWYRMSA-N 2 0 304.434 3.784 20 0 DHADRP C[C@H]1C[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000414961281 334212763 /nfs/dbraw/zinc/21/27/63/334212763.db2.gz YSETWARPLBBATL-PXNSSMCTSA-N 2 0 308.469 3.571 20 0 DHADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414962403 334212974 /nfs/dbraw/zinc/21/29/74/334212974.db2.gz CKZHHPHFROSOLV-QGZVFWFLSA-N 2 0 300.471 3.893 20 0 DHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000415000881 334239864 /nfs/dbraw/zinc/23/98/64/334239864.db2.gz UFZCFEUXXCREFZ-MFKMUULPSA-N 2 0 318.795 3.549 20 0 DHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415009339 334253231 /nfs/dbraw/zinc/25/32/31/334253231.db2.gz TXIOCQUGSPQOCR-JHJVBQTASA-N 2 0 300.899 3.830 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000415010669 334256288 /nfs/dbraw/zinc/25/62/88/334256288.db2.gz GOJCKWUDDDMZHO-STQMWFEESA-N 2 0 302.384 3.744 20 0 DHADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1 ZINC000415050581 334258954 /nfs/dbraw/zinc/25/89/54/334258954.db2.gz IPAKIFJQWSVFQW-KRWDZBQOSA-N 2 0 320.383 3.858 20 0 DHADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000415052453 334259026 /nfs/dbraw/zinc/25/90/26/334259026.db2.gz LHBNMQTWWBHTBN-TZIWHRDSSA-N 2 0 324.468 3.622 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000415021747 334259291 /nfs/dbraw/zinc/25/92/91/334259291.db2.gz KNESEDLXJHGDEH-CYBMUJFWSA-N 2 0 302.384 3.745 20 0 DHADRP COc1ccccc1-c1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415019803 334259401 /nfs/dbraw/zinc/25/94/01/334259401.db2.gz WKLZCRNBAYLLQG-MRXNPFEDSA-N 2 0 312.457 3.969 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000415021749 334259486 /nfs/dbraw/zinc/25/94/86/334259486.db2.gz KNESEDLXJHGDEH-ZDUSSCGKSA-N 2 0 302.384 3.745 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000415022019 334259650 /nfs/dbraw/zinc/25/96/50/334259650.db2.gz ZHGXCTZOBVRAOS-JTQLQIEISA-N 2 0 306.784 3.549 20 0 DHADRP C[C@H](C[NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415027272 334259768 /nfs/dbraw/zinc/25/97/68/334259768.db2.gz ATQAKROMNIHJRF-XUJVJEKNSA-N 2 0 300.368 3.526 20 0 DHADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000415027725 334259819 /nfs/dbraw/zinc/25/98/19/334259819.db2.gz XHUOLVXVTSKOFJ-CYBMUJFWSA-N 2 0 310.869 3.878 20 0 DHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000415028475 334260075 /nfs/dbraw/zinc/26/00/75/334260075.db2.gz YTSINNWYPMNJTD-HAQNSBGRSA-N 2 0 318.358 3.699 20 0 DHADRP Cc1nc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2s1 ZINC000415032441 334260215 /nfs/dbraw/zinc/26/02/15/334260215.db2.gz AMPBYUWAGQPJOU-RDJZCZTQSA-N 2 0 315.486 3.569 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000415031899 334260276 /nfs/dbraw/zinc/26/02/76/334260276.db2.gz HJXIITVVYJZOFH-OCCSQVGLSA-N 2 0 320.383 3.658 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000415039372 334260734 /nfs/dbraw/zinc/26/07/34/334260734.db2.gz NYTNQGBKWUDCEI-OLZOCXBDSA-N 2 0 304.434 3.771 20 0 DHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000415045823 334261187 /nfs/dbraw/zinc/26/11/87/334261187.db2.gz UKHXUVVSWDGIMH-NWDGAFQWSA-N 2 0 301.261 3.643 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415048845 334261468 /nfs/dbraw/zinc/26/14/68/334261468.db2.gz GHRPUFHFUBBLIV-BEFAXECRSA-N 2 0 300.421 3.827 20 0 DHADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415055370 334261620 /nfs/dbraw/zinc/26/16/20/334261620.db2.gz OOZDSDATWACZRO-APWZRJJASA-N 2 0 312.457 3.696 20 0 DHADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415054515 334261750 /nfs/dbraw/zinc/26/17/50/334261750.db2.gz NQEUKSJYYCWAPJ-KXBFYZLASA-N 2 0 300.421 3.827 20 0 DHADRP COc1ccccc1C[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415055372 334261794 /nfs/dbraw/zinc/26/17/94/334261794.db2.gz OOZDSDATWACZRO-QFBILLFUSA-N 2 0 312.457 3.696 20 0 DHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2cccnc12 ZINC000415058698 334262024 /nfs/dbraw/zinc/26/20/24/334262024.db2.gz WAQSABXFNQTXTA-RBUKOAKNSA-N 2 0 309.457 3.507 20 0 DHADRP c1ccc(OCCCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415060113 334262143 /nfs/dbraw/zinc/26/21/43/334262143.db2.gz XXNWDHGBQROBAT-UYAOXDASSA-N 2 0 316.489 3.700 20 0 DHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](CN)C1CCCC1 ZINC000415071644 334265496 /nfs/dbraw/zinc/26/54/96/334265496.db2.gz WZBZNTNZPJMGCD-BLLLJJGKSA-N 2 0 314.395 3.744 20 0 DHADRP Clc1cccc(CC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)c1 ZINC000415075788 334266871 /nfs/dbraw/zinc/26/68/71/334266871.db2.gz AHCQPHYGZFBXPS-RTBURBONSA-N 2 0 314.860 3.965 20 0 DHADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1OC(F)F ZINC000415075718 334266902 /nfs/dbraw/zinc/26/69/02/334266902.db2.gz BZQMBTHEXUSVID-SSDMNJCBSA-N 2 0 312.404 3.846 20 0 DHADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415073745 334267412 /nfs/dbraw/zinc/26/74/12/334267412.db2.gz BKRFTHJEEMQVJZ-WFASDCNBSA-N 2 0 302.384 3.599 20 0 DHADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000415077287 334268543 /nfs/dbraw/zinc/26/85/43/334268543.db2.gz HGTODWHNKIAKEL-FCGDIQPGSA-N 2 0 316.489 3.663 20 0 DHADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000187729110 334269998 /nfs/dbraw/zinc/26/99/98/334269998.db2.gz DHVFAJVFWBXZFQ-OAHLLOKOSA-N 2 0 300.421 3.608 20 0 DHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415079431 334270680 /nfs/dbraw/zinc/27/06/80/334270680.db2.gz KCPWRNUAOWLSHH-NFAWXSAZSA-N 2 0 314.395 3.614 20 0 DHADRP C[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079458 334270747 /nfs/dbraw/zinc/27/07/47/334270747.db2.gz HYJFWPZRXKLHGN-NEPJUHHUSA-N 2 0 301.261 3.686 20 0 DHADRP c1ccc2c(c1)C1C[C@@H](C[NH2+]C3CC[NH2+]CC3)C2c2ccccc21 ZINC000415110966 334281776 /nfs/dbraw/zinc/28/17/76/334281776.db2.gz QUPZEMJXNBEYIU-NYMDZQDESA-N 2 0 318.464 3.625 20 0 DHADRP Cc1ccc(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000415112641 334281965 /nfs/dbraw/zinc/28/19/65/334281965.db2.gz CYIGAYHPAJDEOW-FPOVZHCZSA-N 2 0 323.484 3.962 20 0 DHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000415117002 334283913 /nfs/dbraw/zinc/28/39/13/334283913.db2.gz YZUMMDJXLAVKCE-RBUKOAKNSA-N 2 0 308.510 3.565 20 0 DHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000415133633 334285534 /nfs/dbraw/zinc/28/55/34/334285534.db2.gz VHYODPLHPJIOCT-LEWJYISDSA-N 2 0 324.468 3.558 20 0 DHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000531932742 334297102 /nfs/dbraw/zinc/29/71/02/334297102.db2.gz RZBNZDYSHRHZJZ-YLJYHZDGSA-N 2 0 300.490 3.862 20 0 DHADRP CCCC1(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CCC1 ZINC000537962165 334299375 /nfs/dbraw/zinc/29/93/75/334299375.db2.gz NCMCGLJDTGBGDL-ROUUACIJSA-N 2 0 310.526 3.683 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000531955196 334306644 /nfs/dbraw/zinc/30/66/44/334306644.db2.gz DYSXNRXDXKMSNS-KRWDZBQOSA-N 2 0 304.478 3.852 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000531977361 334346800 /nfs/dbraw/zinc/34/68/00/334346800.db2.gz IUXHCGISPPEOBG-UONOGXRCSA-N 2 0 306.416 3.818 20 0 DHADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000531977362 334346810 /nfs/dbraw/zinc/34/68/10/334346810.db2.gz IUXHCGISPPEOBG-ZIAGYGMSSA-N 2 0 306.416 3.818 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)C ZINC000342806209 334578288 /nfs/dbraw/zinc/57/82/88/334578288.db2.gz OGQJQJKZMBLUHD-LJQANCHMSA-N 2 0 304.478 3.684 20 0 DHADRP CCc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2ccccc2[nH+]1 ZINC000443676590 338459853 /nfs/dbraw/zinc/45/98/53/338459853.db2.gz UWNUCMJLSIFDER-QGZVFWFLSA-N 2 0 309.457 3.862 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417306767 334704587 /nfs/dbraw/zinc/70/45/87/334704587.db2.gz GLTHTZYHWBZZBI-HYVNUMGLSA-N 2 0 306.519 3.952 20 0 DHADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(CC)CC ZINC000344027311 335209995 /nfs/dbraw/zinc/20/99/95/335209995.db2.gz VFCDAMSUMKMURP-MSOLQXFVSA-N 2 0 308.510 3.577 20 0 DHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344115423 335218330 /nfs/dbraw/zinc/21/83/30/335218330.db2.gz XJPPICXVJJGWJC-BEFAXECRSA-N 2 0 304.453 3.913 20 0 DHADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)C12CCC2 ZINC000344157251 335222826 /nfs/dbraw/zinc/22/28/26/335222826.db2.gz ZZBVKNLAXZXQBW-KZNAEPCWSA-N 2 0 308.510 3.578 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366890998 335306223 /nfs/dbraw/zinc/30/62/23/335306223.db2.gz RVBWMWJUQNROMC-MNNVXMFVSA-N 2 0 304.453 3.753 20 0 DHADRP CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346179706 335378299 /nfs/dbraw/zinc/37/82/99/335378299.db2.gz RJSSHGFTYXUNLU-GOSISDBHSA-N 2 0 312.461 3.976 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCO1 ZINC000346143489 335380804 /nfs/dbraw/zinc/38/08/04/335380804.db2.gz YYJKAUVKBYAKDK-UXHICEINSA-N 2 0 318.505 3.820 20 0 DHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000346169781 335385083 /nfs/dbraw/zinc/38/50/83/335385083.db2.gz JWTMNDMYQLKFKM-QGZVFWFLSA-N 2 0 312.461 3.834 20 0 DHADRP CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346221080 335385753 /nfs/dbraw/zinc/38/57/53/335385753.db2.gz NROFTQBLYBOTLV-KXBFYZLASA-N 2 0 312.461 3.976 20 0 DHADRP Cc1nccn1CC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000346308070 335398635 /nfs/dbraw/zinc/39/86/35/335398635.db2.gz LAFFCQFAFQRSNL-AWEZNQCLSA-N 2 0 321.827 3.691 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000348049073 335548076 /nfs/dbraw/zinc/54/80/76/335548076.db2.gz UFOONOWLJLIHDQ-AWEZNQCLSA-N 2 0 303.475 3.803 20 0 DHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000348365025 335580949 /nfs/dbraw/zinc/58/09/49/335580949.db2.gz ZJSVYSYOCXCTLJ-HXUWFJFHSA-N 2 0 314.473 3.537 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000350184106 335733025 /nfs/dbraw/zinc/73/30/25/335733025.db2.gz LXXVVQXNEOAMFO-UHFFFAOYSA-N 2 0 323.550 3.895 20 0 DHADRP CC(C)=CCC[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000532205557 335915134 /nfs/dbraw/zinc/91/51/34/335915134.db2.gz JTGHIUGNZOUWKC-KRWDZBQOSA-N 2 0 304.478 3.852 20 0 DHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417952510 336026908 /nfs/dbraw/zinc/02/69/08/336026908.db2.gz MZZYUGCSYGZVKD-HOJAQTOUSA-N 2 0 300.490 3.748 20 0 DHADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1F ZINC000417958403 336090861 /nfs/dbraw/zinc/09/08/61/336090861.db2.gz GDRCJDCTJMACLC-OALUTQOASA-N 2 0 312.432 3.781 20 0 DHADRP c1ccc(CSCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000192599036 336178624 /nfs/dbraw/zinc/17/86/24/336178624.db2.gz HDYGHBMMEFGHFR-LJQANCHMSA-N 2 0 318.530 3.870 20 0 DHADRP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352441072 336218957 /nfs/dbraw/zinc/21/89/57/336218957.db2.gz SIWPYNRYUXRVHE-HOJAQTOUSA-N 2 0 321.468 3.597 20 0 DHADRP Fc1ccccc1-c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000352527024 336222857 /nfs/dbraw/zinc/22/28/57/336222857.db2.gz VISRZGDWMUAMCP-IBGZPJMESA-N 2 0 314.404 3.661 20 0 DHADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000352535331 336223127 /nfs/dbraw/zinc/22/31/27/336223127.db2.gz PFEZVGIOHHARNX-CYBMUJFWSA-N 2 0 307.488 3.575 20 0 DHADRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(F)cn1 ZINC000352682695 336230065 /nfs/dbraw/zinc/23/00/65/336230065.db2.gz GNLOYGVJGJEIGX-SFHVURJKSA-N 2 0 315.436 3.913 20 0 DHADRP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000352769457 336234190 /nfs/dbraw/zinc/23/41/90/336234190.db2.gz NFUGAGQNZSAQGM-LAUBAEHRSA-N 2 0 323.484 3.644 20 0 DHADRP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000352769465 336234210 /nfs/dbraw/zinc/23/42/10/336234210.db2.gz NFUGAGQNZSAQGM-UTKZUKDTSA-N 2 0 323.484 3.644 20 0 DHADRP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)cs1 ZINC000532471915 336249668 /nfs/dbraw/zinc/24/96/68/336249668.db2.gz OACNFUKNMPYWJN-SUMWQHHRSA-N 2 0 315.486 3.691 20 0 DHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000532503831 336252610 /nfs/dbraw/zinc/25/26/10/336252610.db2.gz PBPPRNNXMKMUIL-NJAFHUGGSA-N 2 0 314.498 3.880 20 0 DHADRP CC(C)[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000532507224 336252816 /nfs/dbraw/zinc/25/28/16/336252816.db2.gz ZDHLAACLGGIAIC-HXUWFJFHSA-N 2 0 316.489 3.685 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000532539647 336254574 /nfs/dbraw/zinc/25/45/74/336254574.db2.gz IBSXELILKLJOSJ-UHFFFAOYSA-N 2 0 317.502 3.849 20 0 DHADRP CCc1ccc(C[NH2+]C[C@@H](CC)N2CCc3ccccc3C2)cn1 ZINC000352834531 336271457 /nfs/dbraw/zinc/27/14/57/336271457.db2.gz XKQRUAXKKVXCPZ-OAQYLSRUSA-N 2 0 323.484 3.571 20 0 DHADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482634753 336323836 /nfs/dbraw/zinc/32/38/36/336323836.db2.gz VEDGMHKRPHEVBJ-GJZGRUSLSA-N 2 0 324.896 3.565 20 0 DHADRP CCC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c3ccc(F)cc23)C1 ZINC000301973779 336340789 /nfs/dbraw/zinc/34/07/89/336340789.db2.gz AXJRQVKIKHWCMG-AWEZNQCLSA-N 2 0 301.409 3.826 20 0 DHADRP Cc1cc(NCC2([NH+]3CCSCC3)CCCCC2)cc[nH+]1 ZINC000302576346 336361964 /nfs/dbraw/zinc/36/19/64/336361964.db2.gz RCUFJRQWQNILMD-UHFFFAOYSA-N 2 0 305.491 3.554 20 0 DHADRP FC1(F)CCC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000514116140 336367530 /nfs/dbraw/zinc/36/75/30/336367530.db2.gz XXLCRNUIFPMLBN-ZOBUZTSGSA-N 2 0 312.448 3.761 20 0 DHADRP Cc1cccc(N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000302800184 336369687 /nfs/dbraw/zinc/36/96/87/336369687.db2.gz BWUSDLDXOVMLSG-RDJZCZTQSA-N 2 0 303.356 3.526 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCSC(C)C)CC1)CC1CC1 ZINC000514123013 336372101 /nfs/dbraw/zinc/37/21/01/336372101.db2.gz RIFJLZLKNFVRSW-UHFFFAOYSA-N 2 0 312.567 3.962 20 0 DHADRP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000320856986 336374342 /nfs/dbraw/zinc/37/43/42/336374342.db2.gz AYCQZSRLJOEVEN-KUHUBIRLSA-N 2 0 309.457 3.619 20 0 DHADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152459834 336387199 /nfs/dbraw/zinc/38/71/99/336387199.db2.gz FDWDGVLLFQLFFT-UYAOXDASSA-N 2 0 300.490 3.718 20 0 DHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000105416708 336387451 /nfs/dbraw/zinc/38/74/51/336387451.db2.gz GKGKBPAVSORSPA-UHFFFAOYSA-N 2 0 324.468 3.752 20 0 DHADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C(C)C)cc1 ZINC000152474110 336390254 /nfs/dbraw/zinc/39/02/54/336390254.db2.gz RFRAXHWZIQFIOW-QUCCMNQESA-N 2 0 300.490 3.636 20 0 DHADRP Fc1cccc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1F ZINC000582242285 336391386 /nfs/dbraw/zinc/39/13/86/336391386.db2.gz WCFGYLPULIQGFT-AWEZNQCLSA-N 2 0 308.416 3.534 20 0 DHADRP CSC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC[NH+](C)CC1 ZINC000353626053 336429827 /nfs/dbraw/zinc/42/98/27/336429827.db2.gz TXFFWOTXTFINMH-QGZVFWFLSA-N 2 0 322.493 3.620 20 0 DHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000353650114 336431666 /nfs/dbraw/zinc/43/16/66/336431666.db2.gz QMOPTHNJNIBONO-KRWDZBQOSA-N 2 0 306.519 3.863 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000355733995 336520381 /nfs/dbraw/zinc/52/03/81/336520381.db2.gz NJKNBSJQKKUJGV-UHFFFAOYSA-N 2 0 307.507 3.622 20 0 DHADRP Cc1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000122063027 336991551 /nfs/dbraw/zinc/99/15/51/336991551.db2.gz ZFCGXBACXFPZLC-UHFFFAOYSA-N 2 0 307.507 3.540 20 0 DHADRP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)c(C)n1 ZINC000375454298 337011469 /nfs/dbraw/zinc/01/14/69/337011469.db2.gz JJVDFTCSGAPPSK-NHCUHLMSSA-N 2 0 323.484 3.871 20 0 DHADRP C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC1CCOCC1 ZINC000375593854 337014033 /nfs/dbraw/zinc/01/40/33/337014033.db2.gz AQIYMBFWKJOOJZ-LJQANCHMSA-N 2 0 308.510 3.534 20 0 DHADRP Cc1ccccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000376774262 337040775 /nfs/dbraw/zinc/04/07/75/337040775.db2.gz VMANTLRNCWWALN-UHFFFAOYSA-N 2 0 324.468 3.758 20 0 DHADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)[C@@H]2c2cccs2)CS1 ZINC000377385951 337051574 /nfs/dbraw/zinc/05/15/74/337051574.db2.gz KMAYTPXNEVHSFI-OTRWWLKZSA-N 2 0 324.559 3.861 20 0 DHADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(C)c1O ZINC000377617234 337056447 /nfs/dbraw/zinc/05/64/47/337056447.db2.gz AFXOJKBPKZEJPP-PMACEKPBSA-N 2 0 324.468 3.792 20 0 DHADRP Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000377807922 337061766 /nfs/dbraw/zinc/06/17/66/337061766.db2.gz VENYYRAAIXQFHN-GRDNDAEWSA-N 2 0 319.474 3.778 20 0 DHADRP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]CCn2ccnc2)cc1 ZINC000378478798 337073826 /nfs/dbraw/zinc/07/38/26/337073826.db2.gz VTMQMFLNFQFJNZ-JKSUJKDBSA-N 2 0 323.362 3.828 20 0 DHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC3 ZINC000378491747 337074122 /nfs/dbraw/zinc/07/41/22/337074122.db2.gz GOSBESUDNYHHBW-IXDOHACOSA-N 2 0 323.484 3.550 20 0 DHADRP Cc1nc([C@H](C)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cs1 ZINC000378513561 337074782 /nfs/dbraw/zinc/07/47/82/337074782.db2.gz BUIOZXWEFATREF-QANKJYHBSA-N 2 0 315.486 3.795 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515299 337075002 /nfs/dbraw/zinc/07/50/02/337075002.db2.gz GKDJXSXVHWAQNY-DQLDELGASA-N 2 0 324.468 3.523 20 0 DHADRP Cc1ncc(C[NH2+]CCc2ccc(F)cc2)n1-c1ccccc1 ZINC000320958902 337081363 /nfs/dbraw/zinc/08/13/63/337081363.db2.gz LOLWNPOEEIXBCQ-UHFFFAOYSA-N 2 0 309.388 3.652 20 0 DHADRP Cc1ncsc1CCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000172538656 337129975 /nfs/dbraw/zinc/12/99/75/337129975.db2.gz FTODEOHTFNZXBW-RDJZCZTQSA-N 2 0 321.534 3.580 20 0 DHADRP CC(C)c1nccc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000172809401 337131274 /nfs/dbraw/zinc/13/12/74/337131274.db2.gz YDJJGKKZBZXDHT-SFHVURJKSA-N 2 0 324.472 3.558 20 0 DHADRP COc1cccc([C@@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000175707034 337147198 /nfs/dbraw/zinc/14/71/98/337147198.db2.gz IOFPOVUZMFOBOG-AEFFLSMTSA-N 2 0 302.462 3.707 20 0 DHADRP CC[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000178035103 337159938 /nfs/dbraw/zinc/15/99/38/337159938.db2.gz CPJZEYGUAQNCEK-ZHALLVOQSA-N 2 0 304.478 3.617 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000178092055 337160508 /nfs/dbraw/zinc/16/05/08/337160508.db2.gz IBEKNIXXODSYTI-MSOLQXFVSA-N 2 0 318.505 3.823 20 0 DHADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000178507934 337163336 /nfs/dbraw/zinc/16/33/36/337163336.db2.gz KJGRHAATDCHVLE-SFHVURJKSA-N 2 0 318.505 3.823 20 0 DHADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000178794590 337165097 /nfs/dbraw/zinc/16/50/97/337165097.db2.gz UYXOOPDOSLYBSP-ZOBUZTSGSA-N 2 0 310.507 3.536 20 0 DHADRP CC(C)([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000178977562 337166669 /nfs/dbraw/zinc/16/66/69/337166669.db2.gz MWQSESJTMYWANK-UHFFFAOYSA-N 2 0 301.261 3.818 20 0 DHADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCC[NH+]1CCCC1 ZINC000181955290 337185467 /nfs/dbraw/zinc/18/54/67/337185467.db2.gz JGTOMDVSKWSNBK-QGZVFWFLSA-N 2 0 306.425 3.505 20 0 DHADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000582899012 337212705 /nfs/dbraw/zinc/21/27/05/337212705.db2.gz LMQSHNNHRGSWTP-SMDDNHRTSA-N 2 0 311.267 3.587 20 0 DHADRP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@H]2CN2CCCC2)CC1 ZINC000185504981 337248633 /nfs/dbraw/zinc/24/86/33/337248633.db2.gz SXIPKPZZUJCJBM-GPANFISMSA-N 2 0 318.427 3.915 20 0 DHADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000185522180 337248839 /nfs/dbraw/zinc/24/88/39/337248839.db2.gz PMQJIQGPYVJRPV-GRAKBVBRSA-N 2 0 318.427 3.771 20 0 DHADRP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccsc1 ZINC000187726681 337269565 /nfs/dbraw/zinc/26/95/65/337269565.db2.gz BQWDWQFQVJMPTH-QAPCUYQASA-N 2 0 322.518 3.680 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cncn1C(C)C ZINC000321631617 337279868 /nfs/dbraw/zinc/27/98/68/337279868.db2.gz TXIKKTWVSJYBCK-UHFFFAOYSA-N 2 0 314.477 3.596 20 0 DHADRP CSC1(C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC[NH+](C)CC1 ZINC000583233282 337281538 /nfs/dbraw/zinc/28/15/38/337281538.db2.gz CCLYJXBDOVLLCO-CRAIPNDOSA-N 2 0 318.530 3.645 20 0 DHADRP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000584437480 337325289 /nfs/dbraw/zinc/32/52/89/337325289.db2.gz KSTSIVBVSHGJEU-QFBILLFUSA-N 2 0 318.480 3.811 20 0 DHADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584665187 337379874 /nfs/dbraw/zinc/37/98/74/337379874.db2.gz CLSBDPXMWJMFFE-VXIBKDFQSA-N 2 0 302.462 3.545 20 0 DHADRP Cc1cc(N2CCC(C[NH3+])CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420182813 337496199 /nfs/dbraw/zinc/49/61/99/337496199.db2.gz KPNAKUBVWBJNJY-UHFFFAOYSA-N 2 0 303.837 3.680 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000420294106 337498650 /nfs/dbraw/zinc/49/86/50/337498650.db2.gz ANYZMVXBYXOHLE-TZIWHRDSSA-N 2 0 324.468 3.869 20 0 DHADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000420364510 337499789 /nfs/dbraw/zinc/49/97/89/337499789.db2.gz CXENCIYJKLJTTN-ZFWWWQNUSA-N 2 0 312.404 3.718 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420328635 337500145 /nfs/dbraw/zinc/50/01/45/337500145.db2.gz HYJPCTSBCGYSCB-BEVDRBHNSA-N 2 0 316.489 3.699 20 0 DHADRP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000420374097 337500221 /nfs/dbraw/zinc/50/02/21/337500221.db2.gz NCZBDCZAXULJRW-OAHLLOKOSA-N 2 0 318.358 3.799 20 0 DHADRP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420391352 337500468 /nfs/dbraw/zinc/50/04/68/337500468.db2.gz AQSSVFNZTBOMTQ-XLIONFOSSA-N 2 0 312.432 3.699 20 0 DHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCCC[C@H]2C(C)C)cc1 ZINC000420419185 337500908 /nfs/dbraw/zinc/50/09/08/337500908.db2.gz XIVWOTKXSPMVET-NEWSRXKRSA-N 2 0 304.478 3.542 20 0 DHADRP Cc1ccsc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247036811 337557136 /nfs/dbraw/zinc/55/71/36/337557136.db2.gz NWZPCMBSFAYVDN-JYJNAYRXSA-N 2 0 310.507 3.597 20 0 DHADRP C[C@]1(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261867786 337611860 /nfs/dbraw/zinc/61/18/60/337611860.db2.gz OCPJLJQVNYUJPZ-KRWDZBQOSA-N 2 0 324.921 3.896 20 0 DHADRP FC(F)(F)c1cccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422725699 337684348 /nfs/dbraw/zinc/68/43/48/337684348.db2.gz YOWVHACCBBTBQI-XYPWUTKMSA-N 2 0 312.379 3.511 20 0 DHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737473 337684441 /nfs/dbraw/zinc/68/44/41/337684441.db2.gz ZMYNEVPDDSROGO-UTKZUKDTSA-N 2 0 324.468 3.743 20 0 DHADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]1C ZINC000422736967 337684524 /nfs/dbraw/zinc/68/45/24/337684524.db2.gz WSFXLFDCBKITFH-RVZUANDWSA-N 2 0 314.473 3.657 20 0 DHADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422739953 337684628 /nfs/dbraw/zinc/68/46/28/337684628.db2.gz AWEZKFFLFTYVMU-QSFXBCCZSA-N 2 0 308.425 3.593 20 0 DHADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422754292 337685029 /nfs/dbraw/zinc/68/50/29/337685029.db2.gz GVKAESATSHEBNH-BSIFCXSSSA-N 2 0 322.452 3.636 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000422751859 337685038 /nfs/dbraw/zinc/68/50/38/337685038.db2.gz AIYOPGQXQJDFOV-MSOLQXFVSA-N 2 0 317.521 3.757 20 0 DHADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000422751951 337685052 /nfs/dbraw/zinc/68/50/52/337685052.db2.gz DJODNHALFWDCTI-QXULXFAOSA-N 2 0 323.278 3.773 20 0 DHADRP c1ccc(SCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422764932 337685699 /nfs/dbraw/zinc/68/56/99/337685699.db2.gz VOQAPXBNRILOCD-KURKYZTESA-N 2 0 304.503 3.679 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422778708 337686178 /nfs/dbraw/zinc/68/61/78/337686178.db2.gz IATIHTXTLGFIFN-LBPRGKRZSA-N 2 0 319.276 3.869 20 0 DHADRP Cc1cccc2c(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779377 337686199 /nfs/dbraw/zinc/68/61/99/337686199.db2.gz IKPKDDNRGXQPCK-GUDVDZBRSA-N 2 0 311.473 3.529 20 0 DHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000422787207 337686624 /nfs/dbraw/zinc/68/66/24/337686624.db2.gz RKMFNSKYURSOQW-FXAWDEMLSA-N 2 0 312.457 3.662 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000422807027 337687545 /nfs/dbraw/zinc/68/75/45/337687545.db2.gz LPIVXPUHOIPZMY-NWDGAFQWSA-N 2 0 304.356 3.753 20 0 DHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000422826625 337688252 /nfs/dbraw/zinc/68/82/52/337688252.db2.gz RDPKWWZFHSDCHI-UWVGGRQHSA-N 2 0 305.285 3.679 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000422826923 337688256 /nfs/dbraw/zinc/68/82/56/337688256.db2.gz RNUYSJIJPNXGOB-OUAUKWLOSA-N 2 0 317.296 3.549 20 0 DHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837805 337688595 /nfs/dbraw/zinc/68/85/95/337688595.db2.gz MWEZMDFVAHMSKH-LSDHHAIUSA-N 2 0 310.441 3.504 20 0 DHADRP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422837857 337688675 /nfs/dbraw/zinc/68/86/75/337688675.db2.gz VNEBCZDPOOJRRU-HSALFYBXSA-N 2 0 316.489 3.624 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000422884418 337690011 /nfs/dbraw/zinc/69/00/11/337690011.db2.gz WXMNXPBOJJBTFN-JTNHKYCSSA-N 2 0 301.261 3.814 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000422913875 337691034 /nfs/dbraw/zinc/69/10/34/337691034.db2.gz RATISLINRCHPCR-MGPUTAFESA-N 2 0 309.457 3.521 20 0 DHADRP c1ccc2ncc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000422915882 337691310 /nfs/dbraw/zinc/69/13/10/337691310.db2.gz ZHUMLRUGTHDCEE-YZGWKJHDSA-N 2 0 309.457 3.635 20 0 DHADRP Cc1sc(CC[NH2+][C@H](C)CCCC[NH3+])nc1-c1ccccc1 ZINC000422925365 337691773 /nfs/dbraw/zinc/69/17/73/337691773.db2.gz BNHNVIWJQRKBNR-CQSZACIVSA-N 2 0 317.502 3.768 20 0 DHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000422930729 337692098 /nfs/dbraw/zinc/69/20/98/337692098.db2.gz VRJANMDCMYXEET-FQEVSTJZSA-N 2 0 312.457 3.506 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422934809 337692164 /nfs/dbraw/zinc/69/21/64/337692164.db2.gz KAKUHOCYNMQHBT-XJKSGUPXSA-N 2 0 315.486 3.911 20 0 DHADRP COc1cccc(C[C@H]([NH2+][C@H](C)CCC[NH3+])c2ccccc2)c1 ZINC000422937312 337692453 /nfs/dbraw/zinc/69/24/53/337692453.db2.gz JKRKNNGFOLVENB-UZLBHIALSA-N 2 0 312.457 3.696 20 0 DHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1csc2ccccc12 ZINC000422935616 337692458 /nfs/dbraw/zinc/69/24/58/337692458.db2.gz LFEUBIPCBWHJRO-HNAYVOBHSA-N 2 0 324.493 3.992 20 0 DHADRP Cc1cc(C)c(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000422999057 337694126 /nfs/dbraw/zinc/69/41/26/337694126.db2.gz DPFCRKCASQSVBB-INIZCTEOSA-N 2 0 311.473 3.667 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21)[C@H]1CC[NH2+]C1 ZINC000422953195 337694639 /nfs/dbraw/zinc/69/46/39/337694639.db2.gz DOCFONJKLSRKGN-RIFZZMRRSA-N 2 0 322.452 3.765 20 0 DHADRP c1ccc2c(c1)c1ccccc1n2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423026138 337696186 /nfs/dbraw/zinc/69/61/86/337696186.db2.gz APJMGIXDMSDMRC-SJPCQFCGSA-N 2 0 319.452 3.667 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000423045344 337696992 /nfs/dbraw/zinc/69/69/92/337696992.db2.gz CSVUNZJUJFHERM-BLLLJJGKSA-N 2 0 301.459 3.638 20 0 DHADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423098145 337699392 /nfs/dbraw/zinc/69/93/92/337699392.db2.gz CCWGFEQJBNQUDL-USXIJHARSA-N 2 0 322.880 3.749 20 0 DHADRP CSCc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423113311 337700147 /nfs/dbraw/zinc/70/01/47/337700147.db2.gz TYTNSPKGTNRLNN-CYBMUJFWSA-N 2 0 315.486 3.563 20 0 DHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000423129318 337700834 /nfs/dbraw/zinc/70/08/34/337700834.db2.gz QZOFZPMDFZQGCW-ZTFGCOKTSA-N 2 0 324.896 3.664 20 0 DHADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423152825 337701880 /nfs/dbraw/zinc/70/18/80/337701880.db2.gz MNLWDLRLGIETEB-QXAKKESOSA-N 2 0 304.453 3.577 20 0 DHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220646 337705243 /nfs/dbraw/zinc/70/52/43/337705243.db2.gz YPWRRCOZDJUBJJ-YJBOKZPZSA-N 2 0 302.462 3.613 20 0 DHADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423226643 337705860 /nfs/dbraw/zinc/70/58/60/337705860.db2.gz RORBQKFDPPFCPR-JOYOIKCWSA-N 2 0 303.233 3.534 20 0 DHADRP Cc1cccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000423251231 337707396 /nfs/dbraw/zinc/70/73/96/337707396.db2.gz RQDLBUZGOAJOJG-UZLBHIALSA-N 2 0 312.432 3.813 20 0 DHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423251363 337707404 /nfs/dbraw/zinc/70/74/04/337707404.db2.gz RWEQRGWRZCGXMC-RXVVDRJESA-N 2 0 324.468 3.568 20 0 DHADRP CC(C)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423250471 337707406 /nfs/dbraw/zinc/70/74/06/337707406.db2.gz QHYLGGFKVYNXPS-BBRMVZONSA-N 2 0 314.395 3.992 20 0 DHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000423252106 337707648 /nfs/dbraw/zinc/70/76/48/337707648.db2.gz TXMVLFNBBQKNIS-ZWKOTPCHSA-N 2 0 308.469 3.796 20 0 DHADRP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000423261180 337707929 /nfs/dbraw/zinc/70/79/29/337707929.db2.gz RPCCBUHQHVMHNJ-HOTGVXAUSA-N 2 0 320.477 3.524 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423274683 337708772 /nfs/dbraw/zinc/70/87/72/337708772.db2.gz KTJIAZSJJONWEC-MQQNCABISA-N 2 0 306.416 3.851 20 0 DHADRP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423294956 337710707 /nfs/dbraw/zinc/71/07/07/337710707.db2.gz VVLAFAHWQWKWTG-KBPBESRZSA-N 2 0 314.429 3.574 20 0 DHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423328875 337712273 /nfs/dbraw/zinc/71/22/73/337712273.db2.gz MIFXIRFVEREKER-VQIMIIECSA-N 2 0 304.478 3.762 20 0 DHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)s1 ZINC000423332047 337712394 /nfs/dbraw/zinc/71/23/94/337712394.db2.gz OTWZRSZPLBJZLW-GWCFXTLKSA-N 2 0 317.296 3.551 20 0 DHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423340933 337712858 /nfs/dbraw/zinc/71/28/58/337712858.db2.gz WBKVXBNIKLPFRI-KBPBESRZSA-N 2 0 317.502 3.768 20 0 DHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000423357135 337714156 /nfs/dbraw/zinc/71/41/56/337714156.db2.gz LOEGMYHAEFPKMZ-UKRRQHHQSA-N 2 0 310.869 3.920 20 0 DHADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000423372182 337715313 /nfs/dbraw/zinc/71/53/13/337715313.db2.gz GWRNPFYIBAQFTA-DYESRHJHSA-N 2 0 306.453 3.791 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423400754 337715542 /nfs/dbraw/zinc/71/55/42/337715542.db2.gz QHYCTKHNUBIZSH-BYCMXARLSA-N 2 0 310.894 3.855 20 0 DHADRP COc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)C1CCCC1 ZINC000423408275 337716142 /nfs/dbraw/zinc/71/61/42/337716142.db2.gz XDYJVRKNCIJCQF-UCLAIMLFSA-N 2 0 302.462 3.514 20 0 DHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423425222 337717002 /nfs/dbraw/zinc/71/70/02/337717002.db2.gz DFXBXDWBOAZNPX-KNXALSJPSA-N 2 0 312.379 3.744 20 0 DHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423424615 337717029 /nfs/dbraw/zinc/71/70/29/337717029.db2.gz FZCZOVIFZQGOGH-HZSPNIEDSA-N 2 0 305.491 3.895 20 0 DHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426025 337717077 /nfs/dbraw/zinc/71/70/77/337717077.db2.gz OUMVVCWENNELPB-JYJNAYRXSA-N 2 0 300.446 3.719 20 0 DHADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423384953 337717847 /nfs/dbraw/zinc/71/78/47/337717847.db2.gz LEFGZQLLQWPMHX-RXVVDRJESA-N 2 0 306.453 3.791 20 0 DHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423391809 337718325 /nfs/dbraw/zinc/71/83/25/337718325.db2.gz LBKXXJAEHVDJAN-UWIFEVILSA-N 2 0 306.881 3.954 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)s1 ZINC000423457922 337720512 /nfs/dbraw/zinc/72/05/12/337720512.db2.gz JCWWXDARVQVJBE-HBNTYKKESA-N 2 0 317.296 3.679 20 0 DHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000423460637 337720528 /nfs/dbraw/zinc/72/05/28/337720528.db2.gz MUDRWJFIJLUFFL-ZOWXZIJZSA-N 2 0 310.894 3.984 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423460409 337720539 /nfs/dbraw/zinc/72/05/39/337720539.db2.gz BBYRWQLEHYQZAB-JFIYKMOQSA-N 2 0 302.462 3.624 20 0 DHADRP Cc1cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])sc1Br ZINC000423461753 337720625 /nfs/dbraw/zinc/72/06/25/337720625.db2.gz SZOCDSMXWLGBBC-ZJUUUORDSA-N 2 0 305.285 3.597 20 0 DHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC1(C)C ZINC000423468973 337721026 /nfs/dbraw/zinc/72/10/26/337721026.db2.gz KCDWLEONPQHZKT-AETAKHFUSA-N 2 0 304.453 3.543 20 0 DHADRP CC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000423475252 337721534 /nfs/dbraw/zinc/72/15/34/337721534.db2.gz ZXUDBSZIYFUTBI-NOLJZWGESA-N 2 0 312.404 3.846 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000423475583 337721548 /nfs/dbraw/zinc/72/15/48/337721548.db2.gz QCQDUGKVBQIDBG-XPKDYRNWSA-N 2 0 308.853 3.661 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000423475582 337721580 /nfs/dbraw/zinc/72/15/80/337721580.db2.gz QCQDUGKVBQIDBG-XNRPHZJLSA-N 2 0 308.853 3.661 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423488769 337722450 /nfs/dbraw/zinc/72/24/50/337722450.db2.gz VRKSDGVSLGVUJC-KBPBESRZSA-N 2 0 312.404 3.779 20 0 DHADRP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[C@H](C[NH3+])C3)c(C)c2c1 ZINC000423492919 337722614 /nfs/dbraw/zinc/72/26/14/337722614.db2.gz PAAPPVBGOKZFBJ-IHRRRGAJSA-N 2 0 302.418 3.528 20 0 DHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423491041 337722630 /nfs/dbraw/zinc/72/26/30/337722630.db2.gz IYKMPSZNSTYUOG-BPLDGKMQSA-N 2 0 312.910 3.928 20 0 DHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423491856 337722676 /nfs/dbraw/zinc/72/26/76/337722676.db2.gz ZTIWZLPOJGQZIG-FUHWJXTLSA-N 2 0 302.462 3.639 20 0 DHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423491602 337722715 /nfs/dbraw/zinc/72/27/15/337722715.db2.gz JWYRSYWOWSCCHF-JGGQBBKZSA-N 2 0 315.486 3.897 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000423495220 337722785 /nfs/dbraw/zinc/72/27/85/337722785.db2.gz UBAJPEBWACVNSA-WWGRRREGSA-N 2 0 300.471 3.996 20 0 DHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000423493588 337722815 /nfs/dbraw/zinc/72/28/15/337722815.db2.gz BXWIFJPBRRQKPX-WPGHFRTFSA-N 2 0 323.278 3.544 20 0 DHADRP Cc1c([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cnn1C(C)C ZINC000423511591 337723959 /nfs/dbraw/zinc/72/39/59/337723959.db2.gz NQVNMHNJAPIEER-DNVCBOLYSA-N 2 0 314.477 3.903 20 0 DHADRP Cc1c([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cnn1C(C)C ZINC000423511592 337723995 /nfs/dbraw/zinc/72/39/95/337723995.db2.gz NQVNMHNJAPIEER-HNAYVOBHSA-N 2 0 314.477 3.903 20 0 DHADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423512703 337724009 /nfs/dbraw/zinc/72/40/09/337724009.db2.gz QXRNPXMTEQQPQW-WHOFXGATSA-N 2 0 316.367 3.753 20 0 DHADRP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[C@H](C[NH3+])C3)oc21 ZINC000423524824 337724552 /nfs/dbraw/zinc/72/45/52/337724552.db2.gz ZZOHYYCSMWTMOG-KCQAQPDRSA-N 2 0 302.418 3.610 20 0 DHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534826 337724833 /nfs/dbraw/zinc/72/48/33/337724833.db2.gz AYPBJFGPRWFMDY-ZDUSSCGKSA-N 2 0 308.853 3.699 20 0 DHADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCCS2 ZINC000423536090 337724874 /nfs/dbraw/zinc/72/48/74/337724874.db2.gz GMWHXKXNOMILAV-QGZVFWFLSA-N 2 0 318.486 3.522 20 0 DHADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423536215 337724890 /nfs/dbraw/zinc/72/48/90/337724890.db2.gz HCKHFFLFARIAAG-INIZCTEOSA-N 2 0 308.853 3.699 20 0 DHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534598 337724903 /nfs/dbraw/zinc/72/49/03/337724903.db2.gz AKFPPJQSJLQZJH-QGZVFWFLSA-N 2 0 320.864 3.762 20 0 DHADRP CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423539058 337725072 /nfs/dbraw/zinc/72/50/72/337725072.db2.gz HQWDLXSRAIJANQ-NWVUDAOSSA-N 2 0 312.501 3.865 20 0 DHADRP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538199 337725103 /nfs/dbraw/zinc/72/51/03/337725103.db2.gz MFWRGTVUSSMJOQ-MRXNPFEDSA-N 2 0 311.256 3.880 20 0 DHADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1OC ZINC000423551115 337725431 /nfs/dbraw/zinc/72/54/31/337725431.db2.gz TWBAMFLIQIGKOA-CXUGXGMPSA-N 2 0 322.880 3.777 20 0 DHADRP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000423554902 337725507 /nfs/dbraw/zinc/72/55/07/337725507.db2.gz XIHSJLYIJGTDPQ-PMOUVXMZSA-N 2 0 308.466 3.586 20 0 DHADRP CCSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423552461 337725510 /nfs/dbraw/zinc/72/55/10/337725510.db2.gz UYZXMBYJQPOVOS-RKTXRCNFSA-N 2 0 304.503 3.837 20 0 DHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000423558560 337725559 /nfs/dbraw/zinc/72/55/59/337725559.db2.gz OAAMQRJHGBYEIF-ZDUSSCGKSA-N 2 0 310.388 3.557 20 0 DHADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369583 337827760 /nfs/dbraw/zinc/82/77/60/337827760.db2.gz RIWMLTQVNAVKBO-APHBMKBZSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000424373335 337827790 /nfs/dbraw/zinc/82/77/90/337827790.db2.gz XQRPXQJSTBYDMH-KCPJHIHWSA-N 2 0 300.368 3.668 20 0 DHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000515013574 337977717 /nfs/dbraw/zinc/97/77/17/337977717.db2.gz ITBDMDOGHNJXCW-OXQOHEQNSA-N 2 0 324.468 3.965 20 0 DHADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000516210124 338007514 /nfs/dbraw/zinc/00/75/14/338007514.db2.gz ANUHEDXMGPCGRH-WSTZPKSXSA-N 2 0 323.569 3.740 20 0 DHADRP CCOC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000516497241 338013849 /nfs/dbraw/zinc/01/38/49/338013849.db2.gz LKIJCPMQKKSYED-IEBWSBKVSA-N 2 0 322.537 3.968 20 0 DHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428869134 338063382 /nfs/dbraw/zinc/06/33/82/338063382.db2.gz UGQRAEARSUFDQU-UHFFFAOYSA-N 2 0 320.424 3.979 20 0 DHADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000429027739 338069306 /nfs/dbraw/zinc/06/93/06/338069306.db2.gz BNIVRCUVOVRLTH-NRFANRHFSA-N 2 0 324.468 3.636 20 0 DHADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4)s3)C2)C1 ZINC000430147217 338099036 /nfs/dbraw/zinc/09/90/36/338099036.db2.gz KROOYFGHYQIYPJ-LJQANCHMSA-N 2 0 312.482 3.943 20 0 DHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000430585950 338109325 /nfs/dbraw/zinc/10/93/25/338109325.db2.gz UIRCIGYRCKXNOJ-ZIAGYGMSSA-N 2 0 312.910 3.881 20 0 DHADRP C[NH+](C)CCCC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430736917 338112767 /nfs/dbraw/zinc/11/27/67/338112767.db2.gz VVTWWDJRHWSTJP-UHFFFAOYSA-N 2 0 320.546 3.974 20 0 DHADRP Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc[nH+]1 ZINC000431478967 338131722 /nfs/dbraw/zinc/13/17/22/338131722.db2.gz VGYODMFUZCURDF-UHFFFAOYSA-N 2 0 321.468 3.883 20 0 DHADRP CC[N@H+](CCC1CC[NH+](CCC2CCOCC2)CC1)CC(C)C ZINC000432779709 338167349 /nfs/dbraw/zinc/16/73/49/338167349.db2.gz INBADIKQDCXZGB-UHFFFAOYSA-N 2 0 324.553 3.883 20 0 DHADRP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c2ccccc12 ZINC000432799046 338168292 /nfs/dbraw/zinc/16/82/92/338168292.db2.gz VOFLPNZJQRVPRP-KRWDZBQOSA-N 2 0 312.457 3.765 20 0 DHADRP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)cc1C ZINC000433074279 338180346 /nfs/dbraw/zinc/18/03/46/338180346.db2.gz HYJMTBULBVXVRM-PKOBYXMFSA-N 2 0 300.490 3.797 20 0 DHADRP CC[NH+]1CCC([NH2+]CC2(c3ccc(C)c(C)c3)CCC2)CC1 ZINC000433073323 338180366 /nfs/dbraw/zinc/18/03/66/338180366.db2.gz FPAQZLXSHYGLOT-UHFFFAOYSA-N 2 0 300.490 3.799 20 0 DHADRP Cc1ccsc1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435372897 338238165 /nfs/dbraw/zinc/23/81/65/338238165.db2.gz SWPOFHPBTMFNEL-QGZVFWFLSA-N 2 0 315.486 3.596 20 0 DHADRP CCC(C)(C)CC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435738524 338247132 /nfs/dbraw/zinc/24/71/32/338247132.db2.gz RZAHFSFETFXZBB-OAHLLOKOSA-N 2 0 309.523 3.689 20 0 DHADRP c1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC2CCCC2)c1 ZINC000572483049 338250523 /nfs/dbraw/zinc/25/05/23/338250523.db2.gz LZTLKUGOTXBQOC-FQEVSTJZSA-N 2 0 314.473 3.584 20 0 DHADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436307178 338268176 /nfs/dbraw/zinc/26/81/76/338268176.db2.gz QIOOJHOHCUXMHG-LPHOPBHVSA-N 2 0 308.510 3.578 20 0 DHADRP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000437343229 338307364 /nfs/dbraw/zinc/30/73/64/338307364.db2.gz CGCVTAHBMVKHSM-HXUWFJFHSA-N 3 0 315.505 3.709 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000437765608 338320516 /nfs/dbraw/zinc/32/05/16/338320516.db2.gz RZCCDZMBUPLAOF-VQTJNVASSA-N 2 0 300.490 3.961 20 0 DHADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000437777586 338320894 /nfs/dbraw/zinc/32/08/94/338320894.db2.gz TXSOPQNSGPOYGZ-OTGCGEFBSA-N 2 0 316.489 3.969 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000437799289 338322100 /nfs/dbraw/zinc/32/21/00/338322100.db2.gz LVUVPYCNJQWLIG-ICSRJNTNSA-N 2 0 300.490 3.818 20 0 DHADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437802773 338322175 /nfs/dbraw/zinc/32/21/75/338322175.db2.gz QVVTXRJVYBCNGG-UWTIGNOOSA-N 2 0 314.395 3.886 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000438088961 338330774 /nfs/dbraw/zinc/33/07/74/338330774.db2.gz SHXNGUIIDRLDQH-YLJYHZDGSA-N 2 0 316.489 3.577 20 0 DHADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000438091370 338330903 /nfs/dbraw/zinc/33/09/03/338330903.db2.gz FGTRTSRTRINPHB-KRWDZBQOSA-N 2 0 306.469 3.858 20 0 DHADRP CCN(CC)Cc1nc(C2([NH2+]CCC(C)(C)C)CCCC2)no1 ZINC000438192529 338335925 /nfs/dbraw/zinc/33/59/25/338335925.db2.gz SAZQHURTFPSQHH-UHFFFAOYSA-N 2 0 322.497 3.707 20 0 DHADRP CC[C@H](F)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440785251 338397365 /nfs/dbraw/zinc/39/73/65/338397365.db2.gz KCTKQXAWLTZFLL-SFHVURJKSA-N 2 0 304.453 3.723 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442658151 338426890 /nfs/dbraw/zinc/42/68/90/338426890.db2.gz YWFARBPTXRUPHW-JKSUJKDBSA-N 2 0 313.489 3.735 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(O)c1 ZINC000442795604 338432032 /nfs/dbraw/zinc/43/20/32/338432032.db2.gz USVMRNXWFNPTFP-AYBZRNKSSA-N 2 0 304.478 3.943 20 0 DHADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(F)c1 ZINC000446816806 338536679 /nfs/dbraw/zinc/53/66/79/338536679.db2.gz DYKQKPQODLPRAN-MDZRGWNJSA-N 2 0 322.468 3.756 20 0 DHADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446886728 338539587 /nfs/dbraw/zinc/53/95/87/338539587.db2.gz JERFSNVHGYZOGA-UONOGXRCSA-N 2 0 304.400 3.572 20 0 DHADRP c1ccc(C[C@H]2CC[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446889339 338539701 /nfs/dbraw/zinc/53/97/01/338539701.db2.gz VRARVXXQZLRECD-UXHICEINSA-N 2 0 312.501 3.862 20 0 DHADRP CC1(C)Cc2occc2[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000447566419 338557433 /nfs/dbraw/zinc/55/74/33/338557433.db2.gz SVLDAWAZWIQTLY-KRWDZBQOSA-N 2 0 302.462 3.757 20 0 DHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC(COC)CC1 ZINC000449067242 338589985 /nfs/dbraw/zinc/58/99/85/338589985.db2.gz JQCRVSJOXQKJSJ-UHFFFAOYSA-N 2 0 318.505 3.823 20 0 DHADRP CCC(CC)[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[NH+]1CCCC1 ZINC000449073439 338590712 /nfs/dbraw/zinc/59/07/12/338590712.db2.gz NBNZINPNURHVMI-ROUUACIJSA-N 2 0 308.510 3.578 20 0 DHADRP CC(C)COc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449288622 338609748 /nfs/dbraw/zinc/60/97/48/338609748.db2.gz NKKRJSJDLLMYSF-UHFFFAOYSA-N 2 0 316.489 3.685 20 0 DHADRP COc1cc2ccccc2cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449290077 338609908 /nfs/dbraw/zinc/60/99/08/338609908.db2.gz WCFQHBDKNUPLGI-UHFFFAOYSA-N 2 0 324.468 3.812 20 0 DHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000449309757 338611616 /nfs/dbraw/zinc/61/16/16/338611616.db2.gz CEUOZIDYQGYJET-UHFFFAOYSA-N 2 0 310.526 3.560 20 0 DHADRP Cc1ncsc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449468798 338627737 /nfs/dbraw/zinc/62/77/37/338627737.db2.gz QNLWTSACQIXCPP-YOEHRIQHSA-N 2 0 321.534 3.627 20 0 DHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000162568168 338636456 /nfs/dbraw/zinc/63/64/56/338636456.db2.gz TUKIHPZCHQLFGP-QFBILLFUSA-N 2 0 318.505 3.653 20 0 DHADRP CC1CC[NH+](CCN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000451900593 338747801 /nfs/dbraw/zinc/74/78/01/338747801.db2.gz KPXPUEQKBVFCKD-UHFFFAOYSA-N 2 0 323.569 3.551 20 0 DHADRP CC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccncc1 ZINC000453120773 338796145 /nfs/dbraw/zinc/79/61/45/338796145.db2.gz LJWSOAITRWNXBQ-GOSISDBHSA-N 2 0 301.409 3.523 20 0 DHADRP c1cc(N2CCC(C[NH2+][C@H](C3CC3)C3CCCC3)CC2)cc[nH+]1 ZINC000453138485 338798613 /nfs/dbraw/zinc/79/86/13/338798613.db2.gz ABFALDHKFIKRDY-FQEVSTJZSA-N 2 0 313.489 3.856 20 0 DHADRP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)O1 ZINC000453401789 338838641 /nfs/dbraw/zinc/83/86/41/338838641.db2.gz FCOSUHAOKIMOFA-WBVHZDCISA-N 2 0 310.526 3.823 20 0 DHADRP CCC(C)(C)OCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000453403539 338838945 /nfs/dbraw/zinc/83/89/45/338838945.db2.gz GSGVUEDWFUFJOK-AEFFLSMTSA-N 2 0 310.526 3.824 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000459333773 339022464 /nfs/dbraw/zinc/02/24/64/339022464.db2.gz CCJSYNRPIDZJOD-INIZCTEOSA-N 2 0 300.437 3.620 20 0 DHADRP FC1(F)CCC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000459361265 339024464 /nfs/dbraw/zinc/02/44/64/339024464.db2.gz FKRKISVHWGVYMX-NVXWUHKLSA-N 2 0 312.448 3.761 20 0 DHADRP Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000459374028 339025407 /nfs/dbraw/zinc/02/54/07/339025407.db2.gz LOSLLALDKWAVFP-OAHLLOKOSA-N 2 0 313.445 3.505 20 0 DHADRP Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000459374027 339025422 /nfs/dbraw/zinc/02/54/22/339025422.db2.gz LOSLLALDKWAVFP-HNNXBMFYSA-N 2 0 313.445 3.505 20 0 DHADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000459379011 339025728 /nfs/dbraw/zinc/02/57/28/339025728.db2.gz OROKOQRACHIHCE-YQVWRLOYSA-N 2 0 313.489 3.999 20 0 DHADRP Cn1cncc1CC[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000459412639 339027753 /nfs/dbraw/zinc/02/77/53/339027753.db2.gz PSTMFDFGUZCQAS-FDMDGMSGSA-N 2 0 315.486 3.982 20 0 DHADRP Cc1cc(C)cc(C[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459418155 339028009 /nfs/dbraw/zinc/02/80/09/339028009.db2.gz ILERWEFBNJKKPL-SFHVURJKSA-N 2 0 323.484 3.888 20 0 DHADRP Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000459420930 339028181 /nfs/dbraw/zinc/02/81/81/339028181.db2.gz LMRSFIUISGVXGX-OAHLLOKOSA-N 2 0 313.445 3.563 20 0 DHADRP CC(C)CC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000459447518 339029718 /nfs/dbraw/zinc/02/97/18/339029718.db2.gz QNZXCWQJNCWFQL-UHFFFAOYSA-N 2 0 301.478 3.856 20 0 DHADRP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459577757 339036985 /nfs/dbraw/zinc/03/69/85/339036985.db2.gz WJTFBONWBHXBQQ-DLBZAZTESA-N 2 0 301.478 3.856 20 0 DHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459658537 339041178 /nfs/dbraw/zinc/04/11/78/339041178.db2.gz KVDZKGGOLGVRCU-ROUUACIJSA-N 2 0 320.440 3.854 20 0 DHADRP COC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000459667626 339041782 /nfs/dbraw/zinc/04/17/82/339041782.db2.gz BGHMRFDYGLMLJQ-GSHBMFQSSA-N 2 0 308.510 3.577 20 0 DHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728038 339044730 /nfs/dbraw/zinc/04/47/30/339044730.db2.gz CLDFHTSKIZBYSW-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000459729370 339044813 /nfs/dbraw/zinc/04/48/13/339044813.db2.gz JFDRULWMPLHWDK-AWEZNQCLSA-N 2 0 317.864 3.710 20 0 DHADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000459731272 339044900 /nfs/dbraw/zinc/04/49/00/339044900.db2.gz LDCBHFBYABQEHJ-INIZCTEOSA-N 2 0 312.457 3.670 20 0 DHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000459746152 339045862 /nfs/dbraw/zinc/04/58/62/339045862.db2.gz YZZXVCWLXLKLSM-CYBMUJFWSA-N 2 0 300.368 3.527 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000462102415 339072233 /nfs/dbraw/zinc/07/22/33/339072233.db2.gz BZNGGAZOIBTJNK-VQTJNVASSA-N 2 0 316.489 3.679 20 0 DHADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000462119471 339072432 /nfs/dbraw/zinc/07/24/32/339072432.db2.gz YQRQPZAEYDIYAF-ZIAGYGMSSA-N 2 0 306.416 3.819 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000462491943 339079940 /nfs/dbraw/zinc/07/99/40/339079940.db2.gz SPKYXKSCVSLWIE-KRWDZBQOSA-N 2 0 309.457 3.916 20 0 DHADRP Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000462512063 339080269 /nfs/dbraw/zinc/08/02/69/339080269.db2.gz OYXRVJBGCTZUOU-KRWDZBQOSA-N 2 0 309.457 3.916 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CCCCC1 ZINC000462791489 339088983 /nfs/dbraw/zinc/08/89/83/339088983.db2.gz LHZPCVBKXIKIQO-CEXWTWQISA-N 2 0 322.537 3.826 20 0 DHADRP CCOC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000463278292 339112949 /nfs/dbraw/zinc/11/29/49/339112949.db2.gz NFBHBVQZMOGSSY-IHPCNDPISA-N 2 0 318.505 3.690 20 0 DHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000463542025 339120894 /nfs/dbraw/zinc/12/08/94/339120894.db2.gz IOFQMNQRHCWEEZ-QRQLOZEOSA-N 2 0 300.490 3.890 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464078482 339133376 /nfs/dbraw/zinc/13/33/76/339133376.db2.gz XVBGRLUIUAWPKT-MOPGFXCFSA-N 2 0 318.505 3.517 20 0 DHADRP CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464078483 339133409 /nfs/dbraw/zinc/13/34/09/339133409.db2.gz XVBGRLUIUAWPKT-OALUTQOASA-N 2 0 318.505 3.517 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC000464772661 339152406 /nfs/dbraw/zinc/15/24/06/339152406.db2.gz FPCOHQKUVBADAL-IBGZPJMESA-N 2 0 318.505 3.736 20 0 DHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000464774854 339152507 /nfs/dbraw/zinc/15/25/07/339152507.db2.gz KYDXVTCQNYCPPH-IBGZPJMESA-N 2 0 318.505 3.736 20 0 DHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466361843 339200733 /nfs/dbraw/zinc/20/07/33/339200733.db2.gz YUXPAIBTKRMGDW-SLTAFYQDSA-N 2 0 306.416 3.677 20 0 DHADRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311540 339231316 /nfs/dbraw/zinc/23/13/16/339231316.db2.gz SGDUYPNSMUZUNR-CQSZACIVSA-N 2 0 316.411 3.956 20 0 DHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000467444546 339239000 /nfs/dbraw/zinc/23/90/00/339239000.db2.gz HPVSMZYDXDHCJB-BQFCYCMXSA-N 2 0 304.478 3.714 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)[C@H](C)C1 ZINC000467544189 339241704 /nfs/dbraw/zinc/24/17/04/339241704.db2.gz UHDFWMHBOOBPFO-QUCCMNQESA-N 2 0 322.537 3.994 20 0 DHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)[C@@H](C)C1 ZINC000467544187 339241674 /nfs/dbraw/zinc/24/16/74/339241674.db2.gz UHDFWMHBOOBPFO-AZUAARDMSA-N 2 0 322.537 3.994 20 0 DHADRP C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000468032924 339251833 /nfs/dbraw/zinc/25/18/33/339251833.db2.gz DNQSCASTUTZFOF-QWHCGFSZSA-N 2 0 318.383 3.619 20 0 DHADRP Cc1cc(Cl)ccc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000468408757 339262289 /nfs/dbraw/zinc/26/22/89/339262289.db2.gz OXIRSNDQZDPMKL-INIZCTEOSA-N 2 0 306.881 3.812 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC1CCOCC1 ZINC000468553075 339266096 /nfs/dbraw/zinc/26/60/96/339266096.db2.gz JJKGKHRMJQZMMX-WDSOQIARSA-N 2 0 310.526 3.682 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)[C@H](C)C1 ZINC000468934670 339275174 /nfs/dbraw/zinc/27/51/74/339275174.db2.gz KIVVSZFDUAEHCS-VQIMIIECSA-N 2 0 318.480 3.957 20 0 DHADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000468962595 339276000 /nfs/dbraw/zinc/27/60/00/339276000.db2.gz JWDAYEXOPJDCIA-LJQANCHMSA-N 2 0 300.490 3.770 20 0 DHADRP CC[NH+](CC)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000469257772 339284439 /nfs/dbraw/zinc/28/44/39/339284439.db2.gz PKUYEUXAJRGRJQ-MOPGFXCFSA-N 2 0 301.478 3.567 20 0 DHADRP CC[NH+]1CCC([NH2+]CC(C)(C)c2cccc(Cl)c2F)CC1 ZINC000469803531 339301281 /nfs/dbraw/zinc/30/12/81/339301281.db2.gz BILONJKAGRUUPL-UHFFFAOYSA-N 2 0 312.860 3.831 20 0 DHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OC3CCCC3)C[C@H]21 ZINC000469871983 339303310 /nfs/dbraw/zinc/30/33/10/339303310.db2.gz JHYHYIAWYGIZNZ-ATZDWAIDSA-N 2 0 314.473 3.567 20 0 DHADRP FC(F)(F)c1cccc(C2([NH2+]C[C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC000469986725 339306967 /nfs/dbraw/zinc/30/69/67/339306967.db2.gz FBWUQEBWQVFDCU-CYBMUJFWSA-N 2 0 312.379 3.674 20 0 DHADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000470009636 339308450 /nfs/dbraw/zinc/30/84/50/339308450.db2.gz SMDMMYBFBZOHFJ-CQSZACIVSA-N 2 0 318.461 3.986 20 0 DHADRP C[NH2+]CC1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000470023244 339309004 /nfs/dbraw/zinc/30/90/04/339309004.db2.gz YGUODOBIWGHGET-UHFFFAOYSA-N 2 0 324.468 3.697 20 0 DHADRP C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470978338 339333656 /nfs/dbraw/zinc/33/36/56/339333656.db2.gz RWPMXYAJKSFTCW-ZFWWWQNUSA-N 2 0 308.416 3.690 20 0 DHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccc(Cl)cc2)C1 ZINC000471025728 339334688 /nfs/dbraw/zinc/33/46/88/339334688.db2.gz OTNBRSIMNLVQJB-KRWDZBQOSA-N 2 0 308.897 3.936 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCOc2ccccc2)[C@H](C)C1 ZINC000471220744 339340271 /nfs/dbraw/zinc/34/02/71/339340271.db2.gz PKVWBLRRTSENQU-IEBWSBKVSA-N 2 0 304.478 3.508 20 0 DHADRP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472288988 339369041 /nfs/dbraw/zinc/36/90/41/339369041.db2.gz XKEFULWOQMXODD-OALUTQOASA-N 2 0 304.478 3.570 20 0 DHADRP CCCCOc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000472597772 339374873 /nfs/dbraw/zinc/37/48/73/339374873.db2.gz CJKJRSFHEATQIX-UHFFFAOYSA-N 2 0 316.489 3.926 20 0 DHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000474052678 339399348 /nfs/dbraw/zinc/39/93/48/339399348.db2.gz BPTXLAFIQJAIDL-VCBZYWHSSA-N 2 0 316.489 3.880 20 0 DHADRP C[N@H+](CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1CCCCC1 ZINC000474053304 339399515 /nfs/dbraw/zinc/39/95/15/339399515.db2.gz COONGGUPMQIKQW-YSIASYRMSA-N 2 0 322.537 3.826 20 0 DHADRP C(CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)CC[NH+]1CCCCC1 ZINC000474054814 339399548 /nfs/dbraw/zinc/39/95/48/339399548.db2.gz JTOGGEZLGRMYBY-XUVXKRRUSA-N 2 0 322.537 3.828 20 0 DHADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000475553538 339454847 /nfs/dbraw/zinc/45/48/47/339454847.db2.gz LHIXPMGZSZJILE-APWZRJJASA-N 2 0 304.453 3.926 20 0 DHADRP COC[C@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000481711589 339610566 /nfs/dbraw/zinc/61/05/66/339610566.db2.gz FKZPGRYKAGBEJA-KRWDZBQOSA-N 2 0 324.534 3.611 20 0 DHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cccs1 ZINC000482540582 339635131 /nfs/dbraw/zinc/63/51/31/339635131.db2.gz YMNDZCRFZXTZGE-HNNXBMFYSA-N 2 0 318.486 3.582 20 0 DHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cccs1 ZINC000482540583 339635202 /nfs/dbraw/zinc/63/52/02/339635202.db2.gz YMNDZCRFZXTZGE-OAHLLOKOSA-N 2 0 318.486 3.582 20 0 DHADRP C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000484309312 339684598 /nfs/dbraw/zinc/68/45/98/339684598.db2.gz OIZUSLGKYMBKKE-MAUKXSAKSA-N 2 0 304.478 3.856 20 0 DHADRP CC(C)C1CC([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000486861361 339736601 /nfs/dbraw/zinc/73/66/01/339736601.db2.gz XZIPCOKQOWOVPR-UHFFFAOYSA-N 2 0 304.478 3.541 20 0 DHADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000490375273 339831433 /nfs/dbraw/zinc/83/14/33/339831433.db2.gz PTQYPLCOWVKMQA-GOSISDBHSA-N 2 0 306.881 3.991 20 0 DHADRP C[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500122526 340050685 /nfs/dbraw/zinc/05/06/85/340050685.db2.gz IVRVQDKAILCYRG-UONOGXRCSA-N 2 0 314.395 3.692 20 0 DHADRP CC(C)OC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000501440210 340081042 /nfs/dbraw/zinc/08/10/42/340081042.db2.gz YQBHWFCAUIVRKD-SFHVURJKSA-N 2 0 318.505 3.966 20 0 DHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000516583889 340085757 /nfs/dbraw/zinc/08/57/57/340085757.db2.gz KZAFYZNWGCNCAL-NJYVYQBISA-N 2 0 308.469 3.872 20 0 DHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000501764451 340088166 /nfs/dbraw/zinc/08/81/66/340088166.db2.gz HQHFOYUGVXEGBK-SFHVURJKSA-N 2 0 318.505 3.818 20 0 DHADRP CCc1cc(OC)ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000502247186 340097617 /nfs/dbraw/zinc/09/76/17/340097617.db2.gz GZUFRKRLYHMZAZ-UHFFFAOYSA-N 2 0 318.505 3.811 20 0 DHADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000502695483 340110928 /nfs/dbraw/zinc/11/09/28/340110928.db2.gz XLEPDCXEUSFSGO-GJZGRUSLSA-N 2 0 324.871 3.970 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073106 340120195 /nfs/dbraw/zinc/12/01/95/340120195.db2.gz MVWIIJMVSLGYPA-WOJBJXKFSA-N 2 0 312.432 3.989 20 0 DHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CCCc1ccccc1 ZINC000503073636 340120236 /nfs/dbraw/zinc/12/02/36/340120236.db2.gz NVPIIKGUTGASHW-UXHICEINSA-N 2 0 300.490 3.958 20 0 DHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000506866063 340203056 /nfs/dbraw/zinc/20/30/56/340203056.db2.gz HTQZNIMAGBOOES-QAPCUYQASA-N 2 0 304.478 3.957 20 0 DHADRP CC[N@H+](C)C[C@@H]1CCN(C/C(C)=C\c2ccccc2COC)C1 ZINC000508860979 340254447 /nfs/dbraw/zinc/25/44/47/340254447.db2.gz TWATZLLBWBKTQA-FSEPTYSPSA-N 2 0 316.489 3.510 20 0 DHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000510170465 340291449 /nfs/dbraw/zinc/29/14/49/340291449.db2.gz QBHVMYIKFWIDBP-SZTZYQKNSA-N 2 0 308.416 3.832 20 0 DHADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000510648053 340305070 /nfs/dbraw/zinc/30/50/70/340305070.db2.gz DIVJKGLONDHHMI-QLFBSQMISA-N 2 0 310.432 3.748 20 0 DHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510672811 340305982 /nfs/dbraw/zinc/30/59/82/340305982.db2.gz WTJRWGGHDLGQHN-LSDHHAIUSA-N 2 0 310.432 3.607 20 0 DHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)c1 ZINC000510753710 340309693 /nfs/dbraw/zinc/30/96/93/340309693.db2.gz PAUJGVKSBZTBMX-IEBWSBKVSA-N 2 0 322.468 3.635 20 0 DHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)cc1 ZINC000510752808 340309797 /nfs/dbraw/zinc/30/97/97/340309797.db2.gz NYWRGRAGPKHOJP-PKOBYXMFSA-N 2 0 322.468 3.635 20 0 DHADRP CCCCN1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000510886067 340313910 /nfs/dbraw/zinc/31/39/10/340313910.db2.gz ARVSYGONGUFKOE-SJLPKXTDSA-N 2 0 304.478 3.567 20 0 DHADRP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000511456051 340327649 /nfs/dbraw/zinc/32/76/49/340327649.db2.gz VRSFDKDGPARURA-SQHFCFANSA-N 2 0 316.489 3.699 20 0 DHADRP CC(C)C[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512083373 340347992 /nfs/dbraw/zinc/34/79/92/340347992.db2.gz JWSJKQGNISHIJT-ARJAWSKDSA-N 2 0 308.416 3.688 20 0 DHADRP CN1CC[C@H]2CC[N@H+](CC(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000512253806 340354122 /nfs/dbraw/zinc/35/41/22/340354122.db2.gz RUBFTDPWIDWTHM-UNMCSNQZSA-N 2 0 320.480 3.845 20 0 DHADRP CCC1(C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)CCOCC1 ZINC000512447456 340362145 /nfs/dbraw/zinc/36/21/45/340362145.db2.gz LUBQZPVLIMNTCD-UHFFFAOYSA-N 2 0 322.537 3.972 20 0 DHADRP Cc1ccc(OCCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000513150276 340395208 /nfs/dbraw/zinc/39/52/08/340395208.db2.gz OTFSNDQCQLHDOD-DFNIBXOVSA-N 2 0 316.489 3.629 20 0 DHADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000513238248 340398945 /nfs/dbraw/zinc/39/89/45/340398945.db2.gz KQQVDVVAXPWOBM-IHPCNDPISA-N 2 0 324.553 3.806 20 0 DHADRP CC1CC[NH+](C2CCC([NH2+]Cc3cc(O)cc(F)c3)CC2)CC1 ZINC000185606967 340503350 /nfs/dbraw/zinc/50/33/50/340503350.db2.gz DOIYZIMWZBGGJC-UHFFFAOYSA-N 2 0 320.452 3.664 20 0 DHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCSCC1 ZINC000187013037 340517450 /nfs/dbraw/zinc/51/74/50/340517450.db2.gz WNPSXPOWXZUEGF-ZACQAIPSSA-N 2 0 312.567 3.866 20 0 DHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCOC(C)(C)C ZINC000189952816 340541403 /nfs/dbraw/zinc/54/14/03/340541403.db2.gz FFOHVSCEXPFLPB-IAGOWNOFSA-N 2 0 318.505 3.548 20 0 DHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191266651 340551931 /nfs/dbraw/zinc/55/19/31/340551931.db2.gz ASMJXWNBHJHEEA-HNNXBMFYSA-N 2 0 306.498 3.545 20 0 DHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000227327932 340597949 /nfs/dbraw/zinc/59/79/49/340597949.db2.gz NRNJPTGZUBMPFD-UHFFFAOYSA-N 2 0 300.368 3.527 20 0 DHADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000237194959 340668782 /nfs/dbraw/zinc/66/87/82/340668782.db2.gz OBTYHBYDBXFOMK-OBGWFSINSA-N 2 0 324.468 3.820 20 0 DHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CCc2ccccc2CC1 ZINC000530214284 340782613 /nfs/dbraw/zinc/78/26/13/340782613.db2.gz XBWKTWAXWIZZJR-OAHLLOKOSA-N 2 0 323.484 3.695 20 0 DHADRP CC(C)([NH2+]CCC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000530225926 340783057 /nfs/dbraw/zinc/78/30/57/340783057.db2.gz YJFYXZQJWRIFTF-UHFFFAOYSA-N 2 0 303.475 3.511 20 0 DHADRP C[NH+](C)CCOc1cccc(-c2ccc(/C=C/CC[NH3+])cc2)c1 ZINC000530249167 340783782 /nfs/dbraw/zinc/78/37/82/340783782.db2.gz ZJSNTZYEZFAJRU-ZZXKWVIFSA-N 2 0 310.441 3.656 20 0 DHADRP C[NH+](C)CCOc1cccc(-c2ccc(/C=C\CC[NH3+])cc2)c1 ZINC000530249165 340783838 /nfs/dbraw/zinc/78/38/38/340783838.db2.gz ZJSNTZYEZFAJRU-UTCJRWHESA-N 2 0 310.441 3.656 20 0 DHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125383581 340803874 /nfs/dbraw/zinc/80/38/74/340803874.db2.gz PERBEZUECWQDIZ-LJQANCHMSA-N 2 0 306.469 3.714 20 0 DHADRP C[NH+](C)CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000125861710 340812331 /nfs/dbraw/zinc/81/23/31/340812331.db2.gz XXJGEHDJYWHELI-LJQANCHMSA-N 2 0 323.569 3.740 20 0 DHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCCO2 ZINC000126657785 340830088 /nfs/dbraw/zinc/83/00/88/340830088.db2.gz LPNAOPVJPUTOTD-IBGZPJMESA-N 2 0 316.489 3.955 20 0 DHADRP COC[C@@H](CC(C)C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000540141060 340916485 /nfs/dbraw/zinc/91/64/85/340916485.db2.gz XHSAPHAUEMNWKM-JLAWEPINSA-N 2 0 310.526 3.680 20 0 DHADRP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000541003527 340955643 /nfs/dbraw/zinc/95/56/43/340955643.db2.gz MVZPOIGKSOZJGO-CRAIPNDOSA-N 2 0 304.478 3.763 20 0 DHADRP Oc1cccc2c1CC[C@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000130240206 341008303 /nfs/dbraw/zinc/00/83/03/341008303.db2.gz KKNQMLLUGRVQNR-LJQANCHMSA-N 2 0 314.473 3.766 20 0 DHADRP FC1(F)CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000542840727 341022880 /nfs/dbraw/zinc/02/28/80/341022880.db2.gz IRWLOPQTHIDXNB-UHFFFAOYSA-N 2 0 300.437 3.951 20 0 DHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H]3CCO[C@H](C)C3)CC2)C1 ZINC000543410032 341042706 /nfs/dbraw/zinc/04/27/06/341042706.db2.gz IPBOXMJCERPXKC-XSYGEPLQSA-N 2 0 322.537 3.824 20 0 DHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000543844514 341061477 /nfs/dbraw/zinc/06/14/77/341061477.db2.gz RYIFGNJXGWEANM-LJQANCHMSA-N 2 0 314.517 3.844 20 0 DHADRP Cc1ccc(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000544072497 341069326 /nfs/dbraw/zinc/06/93/26/341069326.db2.gz XFJCVMWNZQSVOI-UHFFFAOYSA-N 2 0 300.490 3.735 20 0 DHADRP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000544115934 341070784 /nfs/dbraw/zinc/07/07/84/341070784.db2.gz COHCSDSDRGUNII-AYBZRNKSSA-N 2 0 302.462 3.562 20 0 DHADRP C[C@H](c1ccc(OC(F)F)cc1)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000544132511 341071484 /nfs/dbraw/zinc/07/14/84/341071484.db2.gz LCRADGKSHYVYAL-CQSZACIVSA-N 2 0 324.415 3.909 20 0 DHADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccc(Cl)cc43)CC[C@H]21 ZINC000544145940 341072244 /nfs/dbraw/zinc/07/22/44/341072244.db2.gz OSAJXNHVACZFTO-OLMNPRSZSA-N 2 0 304.865 3.743 20 0 DHADRP Cc1ccc2[nH+]ccc(N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2c1 ZINC000546181467 341156479 /nfs/dbraw/zinc/15/64/79/341156479.db2.gz RLEJYWKUCBFOGB-QGZVFWFLSA-N 2 0 309.457 3.711 20 0 DHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000133434411 341175102 /nfs/dbraw/zinc/17/51/02/341175102.db2.gz IRUMKLVLZIZZNA-JXFKEZNVSA-N 2 0 316.489 3.828 20 0 DHADRP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564317715 341207178 /nfs/dbraw/zinc/20/71/78/341207178.db2.gz OBJGOONCUXLAET-KYJSFNMBSA-N 2 0 302.462 3.567 20 0 DHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000134157767 341208113 /nfs/dbraw/zinc/20/81/13/341208113.db2.gz VPUQSKSDGSGPDT-UHFFFAOYSA-N 2 0 318.505 3.777 20 0 DHADRP C[C@H]([NH2+]C[C@H]1CCCCS1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547831388 341236222 /nfs/dbraw/zinc/23/62/22/341236222.db2.gz WTGJOVIUMFBMBV-QXAKKESOSA-N 2 0 318.530 3.772 20 0 DHADRP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000548154154 341249791 /nfs/dbraw/zinc/24/97/91/341249791.db2.gz KDULSZDYQQSLJY-NZSAHSFTSA-N 2 0 318.505 3.548 20 0 DHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000245472136 341296111 /nfs/dbraw/zinc/29/61/11/341296111.db2.gz YRISNCCGMNYNAD-ROUUACIJSA-N 2 0 324.896 3.618 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000245599821 341304429 /nfs/dbraw/zinc/30/44/29/341304429.db2.gz OLLCPWCEAFRYGU-WMLDXEAASA-N 2 0 306.881 3.692 20 0 DHADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](CSc2ccccc2)C(C)C)C1 ZINC000245934416 341318898 /nfs/dbraw/zinc/31/88/98/341318898.db2.gz IUJARDMQKPOKKC-FUHWJXTLSA-N 2 0 306.519 3.735 20 0 DHADRP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000245935369 341318909 /nfs/dbraw/zinc/31/89/09/341318909.db2.gz WWXTWOMBTDWLDH-LPHOPBHVSA-N 2 0 303.494 3.671 20 0 DHADRP Clc1ccccc1C[C@@H]([NH2+]CCC[NH+]1CCCC1)C1CC1 ZINC000550605935 341319194 /nfs/dbraw/zinc/31/91/94/341319194.db2.gz IGZVVHKTLDBWIZ-GOSISDBHSA-N 2 0 306.881 3.737 20 0 DHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000550662068 341320774 /nfs/dbraw/zinc/32/07/74/341320774.db2.gz PRZWDJIZSQDMKP-KSSFIOAISA-N 2 0 306.881 3.593 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000550829064 341323799 /nfs/dbraw/zinc/32/37/99/341323799.db2.gz RMZGZXOEAGFABQ-XFUTXVRSSA-N 2 0 302.437 3.534 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3s2)[C@@H](C)C1 ZINC000550881818 341325397 /nfs/dbraw/zinc/32/53/97/341325397.db2.gz DAWXBNGLQZCOBE-YOEHRIQHSA-N 2 0 302.487 3.764 20 0 DHADRP CCOC1(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000550881850 341325409 /nfs/dbraw/zinc/32/54/09/341325409.db2.gz DTOBGSPJJWXFPU-PKOBYXMFSA-N 2 0 322.537 3.968 20 0 DHADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000550932429 341327092 /nfs/dbraw/zinc/32/70/92/341327092.db2.gz WRZVNFWMQGANOV-QXCZDIPSSA-N 2 0 302.437 3.662 20 0 DHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000551540170 341344862 /nfs/dbraw/zinc/34/48/62/341344862.db2.gz BPSDDNQJTVPACV-LNKGRISISA-N 2 0 316.489 3.509 20 0 DHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cc(C)ccc2OC)C1 ZINC000246431035 341348537 /nfs/dbraw/zinc/34/85/37/341348537.db2.gz NXXPHIGENSHQLQ-FUHWJXTLSA-N 2 0 304.478 3.776 20 0 DHADRP CC(C)CSCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246508106 341351104 /nfs/dbraw/zinc/35/11/04/341351104.db2.gz BNMHUOMQYROQBO-FUHWJXTLSA-N 2 0 310.551 3.714 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000246852427 341357852 /nfs/dbraw/zinc/35/78/52/341357852.db2.gz CPWYBXDFBRGMNR-JKSUJKDBSA-N 2 0 318.461 3.721 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)[C@@H](C)C1 ZINC000246906847 341358501 /nfs/dbraw/zinc/35/85/01/341358501.db2.gz FSBGEHRDKWOMAD-LPHOPBHVSA-N 2 0 318.505 3.822 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(C)C)c2)[C@@H](C)C1 ZINC000246907454 341358573 /nfs/dbraw/zinc/35/85/73/341358573.db2.gz GDGJESYJZKBSDT-LPHOPBHVSA-N 2 0 304.478 3.541 20 0 DHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246945926 341358913 /nfs/dbraw/zinc/35/89/13/341358913.db2.gz IACDKSXZFUXWNW-OWCLPIDISA-N 2 0 324.896 3.880 20 0 DHADRP COc1ccc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)ccc2c1 ZINC000247946278 341371376 /nfs/dbraw/zinc/37/13/76/341371376.db2.gz HNORRZPQBJNONJ-AUSJPIAWSA-N 2 0 312.457 3.667 20 0 DHADRP CC(C)c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000247960699 341371570 /nfs/dbraw/zinc/37/15/70/341371570.db2.gz GFKZPBXKJAJKHV-PXNSSMCTSA-N 2 0 318.505 3.698 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)[C@H](C)C1 ZINC000247979624 341371829 /nfs/dbraw/zinc/37/18/29/341371829.db2.gz MCRBNPQETYNKST-BRIYLRKRSA-N 2 0 310.526 3.538 20 0 DHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000247979631 341371838 /nfs/dbraw/zinc/37/18/38/341371838.db2.gz MCRBNPQETYNKST-VPAKFMSCSA-N 2 0 310.526 3.538 20 0 DHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@@H](C)C1 ZINC000248129049 341373700 /nfs/dbraw/zinc/37/37/00/341373700.db2.gz OFLVHONKLNMVTO-DOTOQJQBSA-N 2 0 304.503 3.631 20 0 DHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000564388634 341375941 /nfs/dbraw/zinc/37/59/41/341375941.db2.gz BJBHQJJXOAKZJM-LHQJTOJGSA-N 2 0 322.537 3.968 20 0 DHADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248397624 341376478 /nfs/dbraw/zinc/37/64/78/341376478.db2.gz IFDGSNBLKCYBFO-BQFCYCMXSA-N 2 0 316.489 3.999 20 0 DHADRP C[N@@H+]1CC[C@H]([NH2+]CCCCCOC2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000552246231 341381050 /nfs/dbraw/zinc/38/10/50/341381050.db2.gz NHUGLKGGQXJLMZ-AABGKKOBSA-N 2 0 322.537 3.968 20 0 DHADRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cnn1C(C)C ZINC000248699407 341384503 /nfs/dbraw/zinc/38/45/03/341384503.db2.gz MJDYERNNKLMZLF-IAGOWNOFSA-N 2 0 320.525 3.935 20 0 DHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2C)[C@@H](C)C1 ZINC000248913352 341390058 /nfs/dbraw/zinc/39/00/58/341390058.db2.gz JKUGMLFGTFPACK-BBRMVZONSA-N 2 0 314.395 3.834 20 0 DHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000249383687 341396974 /nfs/dbraw/zinc/39/69/74/341396974.db2.gz WJTSDFUVUGDDML-TZMCWYRMSA-N 2 0 309.523 3.741 20 0 DHADRP COc1ccccc1[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CCCC1 ZINC000091333277 341424873 /nfs/dbraw/zinc/42/48/73/341424873.db2.gz YJRGCRJPCGHAPE-FQEVSTJZSA-N 2 0 316.489 3.858 20 0 DHADRP C[C@H](c1cccc2ccccc21)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000322307343 341485728 /nfs/dbraw/zinc/48/57/28/341485728.db2.gz XLGKSKLBVAEBQS-MRXNPFEDSA-N 2 0 312.457 3.731 20 0 DHADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000556233343 341498317 /nfs/dbraw/zinc/49/83/17/341498317.db2.gz PECSZEHMAAYYDE-QGZVFWFLSA-N 2 0 308.416 3.808 20 0 DHADRP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000261766003 341506169 /nfs/dbraw/zinc/50/61/69/341506169.db2.gz WISUJBSOZIQLTA-NHCUHLMSSA-N 2 0 323.484 3.763 20 0 DHADRP CSC1(C[NH2+]Cc2ccc(Cl)c(C)c2)CC[NH+](C)CC1 ZINC000566531685 341560786 /nfs/dbraw/zinc/56/07/86/341560786.db2.gz AJPPEBMRKCQAGX-UHFFFAOYSA-N 2 0 312.910 3.565 20 0 DHADRP c1c2ccccc2oc1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000566849847 341569813 /nfs/dbraw/zinc/56/98/13/341569813.db2.gz QQCVYQBBWSFHOH-QRWLVFNGSA-N 2 0 321.424 3.506 20 0 DHADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000567371040 341599507 /nfs/dbraw/zinc/59/95/07/341599507.db2.gz LIFPBSLEKGLNTO-WDSOQIARSA-N 2 0 300.490 3.890 20 0 DHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000159135467 341668692 /nfs/dbraw/zinc/66/86/92/341668692.db2.gz SJKBRAIKAYEIED-SJORKVTESA-N 2 0 310.526 3.682 20 0 DHADRP [NH3+]Cc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000573723247 341737132 /nfs/dbraw/zinc/73/71/32/341737132.db2.gz OBRKBCSSAYZKON-UHFFFAOYSA-N 2 0 312.310 3.593 20 0 DHADRP CSC1(C[NH2+][C@@H](C)c2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000575371653 341795535 /nfs/dbraw/zinc/79/55/35/341795535.db2.gz USBLLZRNUOIJEA-ZDUSSCGKSA-N 2 0 312.910 3.818 20 0 DHADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C[NH3+])cc3)oc21 ZINC000576637551 341856406 /nfs/dbraw/zinc/85/64/06/341856406.db2.gz LMEKPXUWDXHDKX-ZDUSSCGKSA-N 2 0 310.397 3.751 20 0 DHADRP C1COC2(C1)CCC([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000577158307 341892201 /nfs/dbraw/zinc/89/22/01/341892201.db2.gz ITUGEGFVAGELBM-UHFFFAOYSA-N 2 0 320.521 3.865 20 0 DHADRP CC(C)C[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000339408235 519347112 /nfs/dbraw/zinc/34/71/12/519347112.db2.gz WHWXFTWRWGGEIO-LJQANCHMSA-N 2 0 318.505 3.646 20 0 DHADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000182084548 519733892 /nfs/dbraw/zinc/73/38/92/519733892.db2.gz KSEHBVRFTRMQOK-KSSFIOAISA-N 2 0 319.493 3.662 20 0 DHADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000337346107 519770973 /nfs/dbraw/zinc/77/09/73/519770973.db2.gz VTZRCZLLISUHJD-ZWKOTPCHSA-N 2 0 318.505 3.822 20 0 DHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000339010573 520694101 /nfs/dbraw/zinc/69/41/01/520694101.db2.gz QDLWBFAFONBGFT-SFHVURJKSA-N 2 0 308.510 3.698 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cncs2)c1 ZINC000163549950 520755978 /nfs/dbraw/zinc/75/59/78/520755978.db2.gz CGEHTJGUPVJZFK-CQSZACIVSA-N 2 0 303.475 3.836 20 0 DHADRP COC1(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000339446388 522591088 /nfs/dbraw/zinc/59/10/88/522591088.db2.gz JTBKSVQLFSMGNT-UHFFFAOYSA-N 2 0 318.505 3.693 20 0 DHADRP C[N@H+](CCCCCOc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000189701862 522730988 /nfs/dbraw/zinc/73/09/88/522730988.db2.gz JENGOYIUVFPUTP-GOSISDBHSA-N 2 0 304.478 3.509 20 0 DHADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000156197192 522747198 /nfs/dbraw/zinc/74/71/98/522747198.db2.gz CGWOJGKHPVRMBS-UZLBHIALSA-N 2 0 316.489 3.576 20 0 DHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)c1cnn(C)c1 ZINC000163541246 522880852 /nfs/dbraw/zinc/88/08/52/522880852.db2.gz JYDQQVTWTPHQRZ-LJQANCHMSA-N 2 0 314.477 3.503 20 0 DHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337265179 524048652 /nfs/dbraw/zinc/04/86/52/524048652.db2.gz TYDJUFNFQXNPCU-CAOKTKFFSA-N 2 0 315.505 3.818 20 0 DHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccncc2)CC1 ZINC000159060855 524097528 /nfs/dbraw/zinc/09/75/28/524097528.db2.gz WWWJXLWOOBCFPO-QGZVFWFLSA-N 2 0 301.478 3.558 20 0 DHADRP C[C@H]1CSC[C@@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367708122 524757846 /nfs/dbraw/zinc/75/78/46/524757846.db2.gz NVGIYHIRHCXNPL-RXQRSOPUSA-N 2 0 318.530 3.771 20 0 DHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000155912052 524910243 /nfs/dbraw/zinc/91/02/43/524910243.db2.gz VIQQNASSNNEOMA-GJYPPUQNSA-N 2 0 318.505 3.820 20 0 DHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C3CCC3)cc2)CCCO1 ZINC000339375982 524948436 /nfs/dbraw/zinc/94/84/36/524948436.db2.gz OTOKJZBQWUWKTD-QGZVFWFLSA-N 2 0 316.489 3.545 20 0 DHADRP CSC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000193806030 525331584 /nfs/dbraw/zinc/33/15/84/525331584.db2.gz OGBLGJLQLIFYOH-UHFFFAOYSA-N 2 0 318.530 3.569 20 0 DHADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000181210775 526178392 /nfs/dbraw/zinc/17/83/92/526178392.db2.gz YUCGYTSVGGQVRT-OAHLLOKOSA-N 2 0 315.461 3.943 20 0 DHADRP Cc1cncc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000189986025 526192527 /nfs/dbraw/zinc/19/25/27/526192527.db2.gz ALNQORCLSGGKHS-UHFFFAOYSA-N 2 0 324.472 3.524 20 0 DHADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000365040147 526217846 /nfs/dbraw/zinc/21/78/46/526217846.db2.gz IOBPFFVWHGJGRH-HQRMLTQVSA-N 2 0 309.457 3.734 20 0 DHADRP c1cnc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2c1 ZINC000131159725 526544574 /nfs/dbraw/zinc/54/45/74/526544574.db2.gz YZKOOBZRMHHEIP-GOSISDBHSA-N 2 0 309.457 3.543 20 0 DHADRP c1oc(-c2ccccc2)nc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339500983 526626964 /nfs/dbraw/zinc/62/69/64/526626964.db2.gz SZSGVGODPXJXBV-UHFFFAOYSA-N 2 0 313.445 3.697 20 0 DHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000296503273 535608861 /nfs/dbraw/zinc/60/88/61/535608861.db2.gz RCHKBVIYDWEXTN-LJQANCHMSA-N 2 0 316.489 3.720 20 0 DHADRP C[NH+](C)CCCCCCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295307631 535826361 /nfs/dbraw/zinc/82/63/61/535826361.db2.gz FVKQKDNRMXAWIH-UHFFFAOYSA-N 2 0 306.494 3.516 20 0 DHADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000286292705 535893912 /nfs/dbraw/zinc/89/39/12/535893912.db2.gz WHBSOKYWJWPDRB-PXNSSMCTSA-N 2 0 316.489 3.537 20 0 DHADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1C ZINC000273190374 536623063 /nfs/dbraw/zinc/62/30/63/536623063.db2.gz PQNCBKUTPZVUCL-INIZCTEOSA-N 2 0 316.489 3.980 20 0 DHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000297490259 536906010 /nfs/dbraw/zinc/90/60/10/536906010.db2.gz KLEFKBSVUKSETN-HUUCEWRRSA-N 2 0 309.413 3.625 20 0 DHADRP